#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfy s PRO 12 N 0.00 1.26 0.22 5.56 0.04 -1.26 -4.61 135.00 136.20 3hfy s PRO 12 Ca 0.00 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 61.62 3hfy s PRO 12 Cb 0.00 -1.82 0.33 0.00 0.04 0.00 0.00 34.50 33.05 3hfy s PRO 12 CO 0.00 -2.20 1.72 -0.09 0.04 0.00 0.00 177.00 176.46 3hfy h ARG 13 N -1.51 0.32 -1.34 4.56 2.43 -1.85 -2.88 114.38 114.10 3hfy h ARG 13 Ca -0.50 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.79 3hfy h ARG 13 Cb 1.29 -0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.55 3hfy h ARG 13 CO 0.57 0.21 0.06 0.12 -1.51 0.00 0.00 179.97 179.42 3hfy s PHE 14 N -6.08 -0.97 -0.09 2.20 5.36 -1.23 -4.12 117.98 113.05 3hfy s PHE 14 Ca -0.13 1.60 -0.03 0.00 -0.96 0.00 0.00 56.93 57.41 3hfy s PHE 14 Cb 0.18 0.55 0.05 0.00 -0.34 0.00 0.00 43.02 43.46 3hfy s PHE 14 CO 0.75 -0.48 0.12 0.45 -1.46 0.00 0.00 175.22 174.59 3hfy s SER 15 N 2.66 1.17 -0.23 6.13 0.15 -0.17 -4.96 113.70 118.45 3hfy s SER 15 Ca -0.02 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 3hfy s SER 15 Cb -0.09 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 3hfy s SER 15 CO -0.18 -0.27 0.18 0.12 1.20 0.00 0.00 173.24 174.29 3hfy s PHE 16 N 2.23 3.34 -0.04 3.44 5.36 -1.26 -0.94 117.98 130.10 3hfy s PHE 16 Ca 0.04 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.30 3hfy s PHE 16 Cb -0.13 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3hfy s PHE 16 CO -0.06 0.09 -0.08 0.45 -1.46 0.00 0.00 175.22 174.17 3hfy s SER 17 N 0.95 1.22 -0.33 6.13 0.15 0.65 -4.99 113.70 117.48 3hfy s SER 17 Ca 0.09 -0.19 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 3hfy s SER 17 Cb -0.13 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 3hfy s SER 17 CO 0.04 0.01 0.28 -0.63 1.20 0.00 0.00 173.24 174.14 3hfy s ILE 18 N 0.60 5.24 -0.09 6.45 1.01 -1.26 -0.56 121.20 132.58 3hfy s ILE 18 Ca -0.10 -0.00 0.15 0.00 0.00 0.00 0.00 60.65 60.70 3hfy s ILE 18 Cb -0.13 -3.72 -0.21 0.00 0.01 0.00 0.00 42.46 38.41 3hfy s ILE 18 CO 0.01 0.02 0.58 0.00 0.00 0.00 0.00 174.94 175.55 3hfy n ALA 19 N 5.21 1.66 -3.47 9.38 0.00 0.02 -4.96 120.51 128.35 3hfy n ALA 19 Ca -0.11 -0.81 -0.14 0.00 0.00 0.00 0.00 53.44 52.37 3hfy n ALA 19 Cb 0.50 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 3hfy n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfy s ALA 20 N -2.69 -1.69 0.03 0.00 0.00 -0.90 -5.03 121.76 111.48 3hfy s ALA 20 Ca -0.05 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3hfy s ALA 20 Cb 0.08 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3hfy s ALA 20 CO 0.83 -0.59 -0.04 1.03 0.00 0.00 0.00 175.76 176.99 3hfy s ARG 21 N -2.60 0.38 -0.21 0.00 0.52 -1.26 -1.24 118.95 114.53 3hfy s ARG 21 Ca -0.04 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 3hfy s ARG 21 Cb -0.01 0.08 0.11 0.00 0.52 0.00 0.00 34.95 35.65 3hfy s ARG 21 CO -0.03 -0.05 0.33 -2.00 0.02 0.00 0.00 175.30 173.58 3hfy s GLU 22 N -1.80 0.28 7.33 3.54 2.12 -0.81 -4.90 118.70 124.45 3hfy s GLU 22 Ca -0.12 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.81 3hfy s GLU 22 Cb -0.08 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 33.93 3hfy s GLU 22 CO -0.02 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 3hfy n GLY 23 N 5.36 3.36 0.03 -1.50 0.00 -1.26 -1.28 105.19 109.89 3hfy n GLY 23 Ca -0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3hfy n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hfy n LYS 24 N 13.95 0.11 -2.43 1.61 5.02 -1.26 -4.92 118.16 130.24 3hfy n LYS 24 Ca 0.00 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 3hfy n LYS 24 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 3hfy n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hfy s ALA 25 N -3.06 3.03 0.07 7.82 0.00 -0.40 -3.80 121.76 125.41 3hfy s ALA 25 Ca 0.10 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3hfy s ALA 25 Cb 0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3hfy s ALA 25 CO 0.68 -0.39 -0.12 1.03 0.00 0.00 0.00 175.76 176.95 3hfy s ARG 26 N -2.63 0.75 0.03 0.00 3.00 -1.26 -1.93 118.95 116.92 3hfy s ARG 26 Ca 0.61 -0.92 0.03 0.00 0.00 0.00 0.00 55.73 55.45 3hfy s ARG 26 Cb -0.24 -0.68 -0.02 0.00 0.00 0.00 0.00 34.95 34.00 3hfy s ARG 26 CO 0.30 0.15 -0.10 -0.08 0.00 0.00 0.00 175.30 175.56 3hfy s THR 27 N -1.36 0.80 -0.55 0.02 -1.32 -0.38 -4.04 115.64 108.81 3hfy s THR 27 Ca -0.04 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3hfy s THR 27 Cb -0.10 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3hfy s THR 27 CO 0.02 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3hfy n GLY 28 N 1.90 -0.83 3.13 6.08 0.00 -0.91 -0.80 105.19 113.76 3hfy n GLY 28 Ca -0.19 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3hfy n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfy s THR 29 N -4.00 0.11 -0.18 2.61 -4.23 0.27 -0.46 115.64 109.77 3hfy s THR 29 Ca 0.00 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3hfy s THR 29 Cb 0.00 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 3hfy s THR 29 CO 0.00 -0.51 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.85 3hfy s ILE 30 N -2.23 3.12 -0.20 2.99 1.01 0.14 -0.25 121.20 125.78 3hfy s ILE 30 Ca -0.08 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3hfy s ILE 30 Cb -0.03 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3hfy s ILE 30 CO -0.03 0.48 0.09 -1.61 0.00 0.00 0.00 174.94 173.87 3hfy s GLU 31 N 0.98 3.98 0.31 2.79 2.02 -0.11 0.86 118.70 129.52 3hfy s GLU 31 Ca -0.01 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.68 3hfy s GLU 31 Cb -0.15 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3hfy s GLU 31 CO -0.01 0.19 0.16 -1.64 0.02 0.00 0.00 175.26 173.98 3hfy s MET 32 N 0.61 1.60 0.28 1.61 -1.94 -0.69 -1.00 119.30 119.78 3hfy s MET 32 Ca 0.05 -1.92 0.01 0.00 -1.71 0.00 0.00 55.69 52.12 3hfy s MET 32 Cb -0.13 -0.12 0.42 0.00 2.01 0.00 0.00 34.83 37.02 3hfy s MET 32 CO 0.01 -0.45 1.77 0.87 -0.01 0.00 0.00 175.02 177.21 3hfy h LYS 33 N 2.20 0.62 -0.16 2.03 1.57 -1.66 -2.90 116.57 118.27 3hfy h LYS 33 Ca -0.34 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3hfy h LYS 33 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hfy h LYS 33 CO 0.52 0.71 0.00 0.54 -0.57 0.00 0.00 179.45 180.65 3hfy n ARG 34 N -4.19 1.73 0.00 3.15 1.74 -1.26 -4.74 116.66 113.08 3hfy n ARG 34 Ca 0.01 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 3hfy n ARG 34 Cb 0.33 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3hfy n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hfy n GLY 35 N 1.14 1.19 3.81 -0.13 0.00 -1.09 -4.16 105.19 105.95 3hfy n GLY 35 Ca 0.16 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 3hfy n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfy s VAL 36 N -1.89 5.16 -0.27 1.61 1.01 -1.26 -1.70 120.40 123.06 3hfy s VAL 36 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3hfy s VAL 36 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.16 3hfy s VAL 36 CO 0.00 0.60 -0.01 -0.63 0.00 0.00 0.00 175.10 175.05 3hfy s ILE 37 N -0.83 3.22 0.15 2.22 1.01 0.25 -4.85 121.20 122.37 3hfy s ILE 37 Ca 0.13 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3hfy s ILE 37 Cb -0.12 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 3hfy s ILE 37 CO 0.03 0.14 0.96 -0.13 0.00 0.00 0.00 174.94 175.94 3hfy s ARG 38 N 1.38 4.75 0.14 2.79 0.52 -1.26 0.25 118.95 127.51 3hfy s ARG 38 Ca 0.01 1.47 0.10 0.00 -0.52 0.00 0.00 55.73 56.78 3hfy s ARG 38 Cb -0.17 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3hfy s ARG 38 CO -0.02 0.31 -0.23 0.95 0.02 0.00 0.00 175.30 176.33 3hfy s THR 39 N -0.38 2.01 0.36 0.02 -4.23 0.39 -3.87 115.64 109.95 3hfy s THR 39 Ca 0.45 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.91 3hfy s THR 39 Cb -0.24 -1.85 -0.12 0.00 1.34 0.00 0.00 72.50 71.64 3hfy s THR 39 CO 0.31 -0.07 1.36 -2.65 -0.54 0.00 0.00 174.62 173.03 3hfy n PRO 40 N 0.73 2.32 -4.93 3.99 -0.02 -1.26 -2.14 135.00 133.70 3hfy n PRO 40 Ca -0.17 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 3hfy n PRO 40 Cb 0.54 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 3hfy n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hfy s ALA 41 N -1.11 2.11 -0.21 3.55 0.00 0.50 -4.86 121.76 121.73 3hfy s ALA 41 Ca 0.55 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 3hfy s ALA 41 Cb -0.53 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3hfy s ALA 41 CO 0.62 0.50 -0.01 0.12 0.00 0.00 0.00 175.76 176.99 3hfy s PHE 42 N -0.75 3.00 -0.47 0.00 5.36 -1.26 -1.19 117.98 122.67 3hfy s PHE 42 Ca 0.10 -0.64 -0.12 0.00 -0.96 0.00 0.00 56.93 55.32 3hfy s PHE 42 Cb -0.10 -2.10 0.10 0.00 -0.34 0.00 0.00 43.02 40.58 3hfy s PHE 42 CO 0.01 -0.37 0.36 -1.64 -1.46 0.00 0.00 175.22 172.13 3hfy s MET 43 N 1.23 2.73 0.83 10.12 -1.94 0.03 -4.74 119.30 127.55 3hfy s MET 43 Ca 0.03 -1.57 -0.11 0.00 -1.71 0.00 0.00 55.69 52.33 3hfy s MET 43 Cb -0.15 -4.00 0.09 0.00 2.01 0.00 0.00 34.83 32.78 3hfy s MET 43 CO 0.00 -1.12 1.09 -1.25 -0.01 0.00 0.00 175.02 173.74 3hfy s PRO 44 N 1.49 1.81 0.41 2.03 0.04 -1.26 -4.37 135.00 135.14 3hfy s PRO 44 Ca 0.04 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 3hfy s PRO 44 Cb -0.26 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 3hfy s PRO 44 CO 0.02 -1.89 1.23 0.14 0.04 0.00 0.00 177.00 176.54 3hfy s VAL 45 N -2.96 2.90 0.12 -0.36 -7.23 -1.26 -1.21 120.40 110.39 3hfy s VAL 45 Ca 0.62 0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 61.55 3hfy s VAL 45 Cb -0.17 -3.43 0.17 0.00 0.56 0.00 0.00 36.38 33.51 3hfy s VAL 45 CO 0.56 0.08 0.61 0.61 -0.31 0.00 0.00 175.10 176.65 3hfy n GLY 46 N 0.65 -0.58 2.38 2.32 0.00 0.83 -4.75 105.19 106.04 3hfy n GLY 46 Ca 0.04 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 3hfy n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hfy n THR 47 N -4.48 3.73 0.00 2.61 5.66 -1.26 -4.97 114.28 115.57 3hfy n THR 47 Ca 0.08 -2.21 0.00 0.00 -3.05 0.00 0.00 64.05 58.87 3hfy n THR 47 Cb 0.26 -2.45 0.00 0.00 -1.55 0.00 0.00 70.33 66.58 3hfy n THR 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hfy n GLY 63 N 3.59 0.00 3.77 1.09 0.00 -1.26 -5.13 105.19 107.24 3hfy n GLY 63 Ca 0.68 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.30 3hfy n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfy s ALA 64 N 0.00 3.34 -0.67 4.61 0.00 -1.26 -4.94 121.76 122.83 3hfy s ALA 64 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.15 3hfy s ALA 64 Cb 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 3hfy s ALA 64 CO 0.00 -0.34 0.89 -0.25 0.00 0.00 0.00 175.76 176.06 3hfy n ASP 65 N 0.74 0.64 -3.62 0.00 8.00 -1.26 -4.96 116.55 116.08 3hfy n ASP 65 Ca 0.01 -0.48 -0.15 0.00 0.71 0.00 0.00 54.79 54.88 3hfy n ASP 65 Cb 0.45 1.08 -0.07 0.00 -0.02 0.00 0.00 41.12 42.56 3hfy n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hfy s ILE 66 N -3.17 0.01 0.38 0.53 2.07 -1.26 -4.13 121.20 115.62 3hfy s ILE 66 Ca 0.04 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 3hfy s ILE 66 Cb 0.15 -0.88 -0.06 0.00 0.13 0.00 0.00 42.46 41.80 3hfy s ILE 66 CO 0.84 -0.03 0.04 0.27 -1.91 0.00 0.00 174.94 174.15 3hfy s ILE 67 N -0.43 1.39 -0.09 2.00 -4.36 -1.17 -4.14 121.20 114.41 3hfy s ILE 67 Ca -0.06 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3hfy s ILE 67 Cb -0.03 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 3hfy s ILE 67 CO 0.05 0.00 -0.02 -0.76 0.24 0.00 0.00 174.94 174.45 3hfy s LEU 68 N -3.61 3.45 -0.13 0.37 1.02 -0.35 -0.57 118.68 118.86 3hfy s LEU 68 Ca 0.31 0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.52 3hfy s LEU 68 Cb 0.08 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 3hfy s LEU 68 CO 0.15 0.35 -0.06 -0.83 0.02 0.00 0.00 176.35 175.98 3hfy s GLY 69 N -0.71 1.69 -0.44 -3.19 0.00 -0.52 -0.12 107.32 104.03 3hfy s GLY 69 Ca 0.11 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 3hfy s GLY 69 CO 0.02 -0.25 0.82 -1.31 0.00 0.00 0.00 173.10 172.38 3hfy s ASN 70 N 0.02 6.45 0.15 1.64 -0.87 -1.26 -3.24 114.94 117.83 3hfy s ASN 70 Ca -0.00 -0.01 -0.11 0.00 -1.57 0.00 0.00 52.86 51.16 3hfy s ASN 70 Cb -0.14 -2.40 -0.01 0.00 -0.02 0.00 0.00 41.25 38.68 3hfy s ASN 70 CO 0.03 -0.93 1.53 0.74 -2.57 0.00 0.00 177.10 175.89 3hfy h THR 71 N 5.99 1.27 -0.32 1.60 2.02 -1.93 -1.18 112.91 120.35 3hfy h THR 71 Ca -0.25 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 3hfy h THR 71 Cb 1.08 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3hfy h THR 71 CO 0.97 0.47 0.17 0.22 0.37 0.00 0.00 175.52 177.72 3hfy h TYR 72 N 0.76 0.45 -0.22 3.16 3.20 -1.89 0.16 116.97 122.59 3hfy h TYR 72 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3hfy h TYR 72 Cb 0.78 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3hfy h TYR 72 CO 0.06 0.37 0.04 0.45 -1.64 0.00 0.00 178.16 177.44 3hfy h HIS 73 N 0.40 0.39 0.00 -3.82 3.86 -1.92 -2.57 115.15 111.49 3hfy h HIS 73 Ca 0.11 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3hfy h HIS 73 Cb 0.07 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3hfy h HIS 73 CO -0.03 0.49 -0.42 -0.07 0.86 0.00 0.00 177.93 178.76 3hfy h LEU 74 N 0.18 0.00 -0.85 2.43 3.38 -1.04 0.56 115.31 119.97 3hfy h LEU 74 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3hfy h LEU 74 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3hfy h LEU 74 CO 0.00 0.42 -0.49 0.00 0.09 0.00 0.00 178.44 178.46 3hfy h MET 75 N 0.00 0.20 0.01 1.13 -0.00 -0.58 0.20 114.93 115.89 3hfy h MET 75 Ca -0.00 -0.11 -0.22 0.00 -0.00 0.00 0.00 59.70 59.36 3hfy h MET 75 Cb 0.76 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.34 3hfy h MET 75 CO 0.06 0.65 -1.11 -0.07 -0.00 0.00 0.00 176.91 176.44 3hfy h LEU 76 N 0.16 0.02 -6.90 -0.10 3.38 -0.96 -3.30 115.31 107.62 3hfy h LEU 76 Ca 0.01 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3hfy h LEU 76 Cb 0.93 -0.01 -0.21 0.00 0.09 0.00 0.00 40.66 41.46 3hfy h LEU 76 CO 0.07 1.02 -0.00 -0.13 0.09 0.00 0.00 178.44 179.49 3hfy s ARG 77 N -2.69 0.53 0.00 1.13 0.52 0.12 -4.40 118.95 114.16 3hfy s ARG 77 Ca -0.00 1.23 0.22 0.00 -0.52 0.00 0.00 55.73 56.66 3hfy s ARG 77 Cb 0.10 0.63 0.91 0.00 0.52 0.00 0.00 34.95 37.10 3hfy s ARG 77 CO 0.82 -0.16 1.63 -0.35 0.02 0.00 0.00 175.30 177.26 3hfy n PRO 78 N 5.07 1.54 0.00 3.54 -0.04 -1.22 -4.12 135.00 139.77 3hfy n PRO 78 Ca -0.13 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 3hfy n PRO 78 Cb 0.52 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3hfy n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hfy n GLY 79 N 1.06 2.72 0.18 0.55 0.00 0.70 -4.64 105.19 105.77 3hfy n GLY 79 Ca 0.16 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 3hfy n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfy h ALA 80 N 0.00 0.22 -0.52 4.61 0.00 -1.76 -1.20 119.26 120.61 3hfy h ALA 80 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.46 3hfy h ALA 80 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3hfy h ALA 80 CO 0.00 0.42 0.20 0.93 0.00 0.00 0.00 179.25 180.81 3hfy h GLU 81 N 0.19 0.38 -0.40 0.00 4.39 -1.93 0.95 114.58 118.17 3hfy h GLU 81 Ca -0.03 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3hfy h GLU 81 Cb 1.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3hfy h GLU 81 CO 0.11 0.25 0.12 0.00 -1.16 0.00 0.00 179.01 178.33 3hfy h ARG 82 N 0.39 0.62 -0.47 2.33 2.47 -1.81 0.18 114.38 118.09 3hfy h ARG 82 Ca 0.25 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.78 3hfy h ARG 82 Cb 0.24 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3hfy h ARG 82 CO -0.23 0.62 0.10 0.82 0.56 0.00 0.00 179.97 181.84 3hfy h ILE 83 N 0.49 1.21 -0.37 2.04 2.04 -0.71 -0.65 117.51 121.56 3hfy h ILE 83 Ca 0.13 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 3hfy h ILE 83 Cb 0.27 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hfy h ILE 83 CO -0.00 0.28 0.04 0.00 0.00 0.00 0.00 178.15 178.47 3hfy h ALA 84 N 1.42 0.49 -0.91 1.87 0.00 -0.21 -0.35 119.26 121.57 3hfy h ALA 84 Ca 0.15 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3hfy h ALA 84 Cb 0.28 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3hfy h ALA 84 CO 0.00 0.22 0.52 -0.22 0.00 0.00 0.00 179.25 179.77 3hfy h LYS 85 N 0.46 0.74 0.00 0.00 3.11 -0.09 -0.72 116.57 120.06 3hfy h LYS 85 Ca 0.11 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3hfy h LYS 85 Cb 0.40 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 3hfy h LYS 85 CO 0.01 0.49 0.00 1.28 -2.81 0.00 0.00 179.45 178.42 3hfy n LEU 86 N -4.77 0.00 0.00 5.20 4.32 -0.30 -4.83 117.00 116.61 3hfy n LEU 86 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 3hfy n LEU 86 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 3hfy n LEU 86 CO 0.23 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 3hfy n GLY 87 N 0.62 0.85 0.00 -0.72 0.00 -0.28 -4.54 105.19 101.12 3hfy n GLY 87 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hfy n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfy n GLY 88 N -1.17 2.06 0.33 -0.02 0.00 -0.19 -4.53 105.19 101.67 3hfy n GLY 88 Ca 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 3hfy n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hfy h LEU 89 N 0.00 0.92 0.35 0.99 5.85 -1.40 -1.18 115.31 120.84 3hfy h LEU 89 Ca 0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3hfy h LEU 89 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3hfy h LEU 89 CO 0.00 0.80 -0.17 0.45 -0.34 0.00 0.00 178.44 179.18 3hfy h HIS 90 N 1.01 -0.44 -0.19 1.25 3.86 -1.80 -1.02 115.15 117.83 3hfy h HIS 90 Ca 0.24 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3hfy h HIS 90 Cb 0.13 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3hfy h HIS 90 CO 0.01 -0.23 -0.16 1.03 0.86 0.00 0.00 177.93 179.44 3hfy h SER 91 N -0.54 0.30 -0.28 2.45 0.87 -1.77 0.44 113.55 115.01 3hfy h SER 91 Ca -0.05 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 3hfy h SER 91 Cb 0.41 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3hfy h SER 91 CO 0.08 0.48 -0.01 0.15 -0.53 0.00 0.00 176.83 177.01 3hfy h PHE 92 N 0.29 0.55 -0.40 2.24 3.57 -0.69 -2.99 116.94 119.52 3hfy h PHE 92 Ca 0.05 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3hfy h PHE 92 Cb 0.46 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3hfy h PHE 92 CO 0.01 0.66 0.00 0.00 -2.23 0.00 0.00 178.31 176.75 3hfy n MET 93 N -4.58 2.29 -3.43 1.11 0.00 -0.43 -4.95 117.12 107.11 3hfy n MET 93 Ca -0.03 -1.96 -0.19 0.00 0.00 0.00 0.00 57.70 55.52 3hfy n MET 93 Cb 0.26 -1.47 0.08 0.00 0.00 0.00 0.00 33.22 32.09 3hfy n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hfy n GLY 94 N 1.40 -0.38 2.93 3.17 0.00 -0.20 -5.02 105.19 107.08 3hfy n GLY 94 Ca 0.19 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 3hfy n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hfy s TRP 95 N -3.32 1.85 -1.40 1.61 -0.11 0.14 -5.00 118.94 112.70 3hfy s TRP 95 Ca 0.24 -1.13 0.14 0.00 1.22 0.00 0.00 56.10 56.57 3hfy s TRP 95 Cb -0.10 -1.39 0.33 0.00 -1.50 0.00 0.00 33.47 30.80 3hfy s TRP 95 CO 0.69 -0.63 1.24 -0.40 -4.62 0.00 0.00 176.95 173.23 3hfy n ASP 96 N 4.84 2.97 -4.73 5.86 3.85 -1.26 -4.34 116.55 123.75 3hfy n ASP 96 Ca -0.13 -1.90 -0.24 0.00 -0.71 0.00 0.00 54.79 51.81 3hfy n ASP 96 Cb 0.48 -0.23 0.09 0.00 -1.35 0.00 0.00 41.12 40.12 3hfy n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hfy s ARG 97 N -1.06 1.83 0.69 0.11 0.52 -1.26 -4.87 118.95 114.91 3hfy s ARG 97 Ca 0.27 -0.92 -0.16 0.00 -0.52 0.00 0.00 55.73 54.40 3hfy s ARG 97 Cb 0.15 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 3hfy s ARG 97 CO 0.20 -1.34 0.99 -2.30 0.02 0.00 0.00 175.30 172.87 3hfy n PRO 98 N -2.80 0.63 -4.14 3.54 -0.02 -1.26 -4.94 135.00 126.00 3hfy n PRO 98 Ca 0.13 0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 3hfy n PRO 98 Cb 0.60 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.69 3hfy n PRO 98 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hfy s ILE 99 N -1.72 0.48 -0.23 4.25 1.01 -1.26 -3.03 121.20 120.70 3hfy s ILE 99 Ca 0.75 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.20 3hfy s ILE 99 Cb -0.36 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 3hfy s ILE 99 CO 0.49 0.21 0.13 -0.22 0.00 0.00 0.00 174.94 175.54 3hfy s LEU 100 N 0.85 4.00 -0.02 2.97 0.20 0.26 -1.05 118.68 125.89 3hfy s LEU 100 Ca -0.11 0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.80 3hfy s LEU 100 Cb -0.14 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 3hfy s LEU 100 CO 0.00 0.09 -0.01 0.42 -0.29 0.00 0.00 176.35 176.56 3hfy s THR 101 N 0.91 4.12 0.87 3.68 -4.23 -0.65 -1.44 115.64 118.90 3hfy s THR 101 Ca 0.06 -0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 3hfy s THR 101 Cb -0.13 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.06 3hfy s THR 101 CO 0.03 0.44 1.22 1.51 -0.54 0.00 0.00 174.62 177.28 3hfy s ASP 102 N -1.35 3.68 0.34 3.99 1.47 -1.20 -3.17 116.67 120.42 3hfy s ASP 102 Ca 0.18 0.24 0.18 0.00 1.18 0.00 0.00 52.55 54.33 3hfy s ASP 102 Cb -0.11 -0.46 0.30 0.00 -0.34 0.00 0.00 42.92 42.31 3hfy s ASP 102 CO 0.08 -2.36 1.56 0.77 0.68 0.00 0.00 175.17 175.89 3hfy h SER 103 N -1.27 0.00 0.00 2.11 4.64 -1.83 -3.40 113.55 113.81 3hfy h SER 103 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hfy h SER 103 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hfy h SER 103 CO 0.44 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 3hfy n GLY 104 N 0.94 2.01 0.10 -0.77 0.00 -1.26 -4.77 105.19 101.43 3hfy n GLY 104 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3hfy n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hfy h GLY 105 N 0.00 0.00 1.72 -0.02 0.00 -1.91 -3.20 103.07 99.66 3hfy h GLY 105 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hfy h GLY 105 CO 0.00 0.00 0.15 -0.97 0.00 0.00 0.00 176.54 175.72 3hfy h TYR 106 N 0.00 0.36 0.00 5.60 -1.99 -1.92 -0.36 116.97 118.66 3hfy h TYR 106 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 3hfy h TYR 106 Cb 1.51 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 40.11 3hfy h TYR 106 CO 0.00 0.26 -0.22 -0.56 -0.00 0.00 0.00 178.16 177.63 3hfy h GLN 107 N 0.38 0.00 0.00 4.88 3.07 -2.00 -3.50 115.11 117.95 3hfy h GLN 107 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 3hfy h GLN 107 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 3hfy h GLN 107 CO -0.02 0.14 0.00 0.28 0.09 0.00 0.00 178.83 179.33 3hfy n VAL 108 N -3.11 0.00 -3.50 1.86 0.31 -0.15 -5.14 118.33 108.60 3hfy n VAL 108 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 3hfy n VAL 108 Cb 0.59 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3hfy n VAL 108 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3hfy n LYS 116 N -0.45 -1.51 -4.33 5.55 -0.00 -1.26 -4.96 118.16 111.19 3hfy n LYS 116 Ca 0.00 1.09 -0.24 0.00 -0.00 0.00 0.00 58.31 59.15 3hfy n LYS 116 Cb 0.00 -3.56 -0.13 0.00 -0.00 0.00 0.00 35.03 31.34 3hfy n LYS 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3hfy s GLN 117 N -4.09 1.17 0.17 -1.58 -1.52 -1.26 -1.44 119.66 111.11 3hfy s GLN 117 Ca 0.03 -1.15 -0.23 0.00 -1.95 0.00 0.00 55.36 52.06 3hfy s GLN 117 Cb -0.00 -1.44 0.08 0.00 -0.22 0.00 0.00 33.01 31.43 3hfy s GLN 117 CO 0.84 0.34 1.05 -1.54 -0.25 0.00 0.00 175.29 175.73 3hfy s SER 118 N -1.84 -0.01 0.66 5.90 1.04 -0.29 -4.99 113.70 114.16 3hfy s SER 118 Ca 0.07 -0.63 0.44 0.00 0.48 0.00 0.00 55.95 56.31 3hfy s SER 118 Cb -0.10 0.48 2.40 0.00 0.10 0.00 0.00 66.02 68.90 3hfy s SER 118 CO 0.04 -0.95 2.35 -0.08 0.98 0.00 0.00 173.24 175.58 3hfy h GLU 119 N 2.00 0.00 0.00 4.02 4.57 -2.03 -1.61 114.58 121.54 3hfy h GLU 119 Ca -0.27 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.70 3hfy h GLU 119 Cb 1.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 3hfy h GLU 119 CO 0.35 0.00 -1.04 0.93 -1.18 0.00 0.00 179.01 178.07 3hfy h GLU 120 N 0.00 0.00 0.00 1.92 3.07 -1.97 -3.50 114.58 114.10 3hfy h GLU 120 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hfy h GLU 120 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hfy h GLU 120 CO 0.00 0.93 0.00 0.41 -1.40 0.00 0.00 179.01 178.95 3hfy n GLY 121 N 1.36 0.04 3.05 -3.84 0.00 -0.61 -4.56 105.19 100.64 3hfy n GLY 121 Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3hfy n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfy s VAL 122 N -4.00 -0.00 -0.04 1.61 0.11 0.68 -1.14 120.40 117.61 3hfy s VAL 122 Ca 0.00 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3hfy s VAL 122 Cb 0.00 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 3hfy s VAL 122 CO 0.00 0.01 -0.21 0.42 -3.33 0.00 0.00 175.10 171.98 3hfy s THR 123 N 0.18 2.46 0.04 5.04 -4.23 -0.52 0.12 115.64 118.72 3hfy s THR 123 Ca -0.01 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3hfy s THR 123 Cb -0.02 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3hfy s THR 123 CO -0.00 0.58 0.06 0.72 -0.54 0.00 0.00 174.62 175.44 3hfy s PHE 124 N -0.61 0.26 -0.12 3.99 -0.71 0.50 -4.30 117.98 116.99 3hfy s PHE 124 Ca 0.09 -0.60 -0.06 0.00 -1.04 0.00 0.00 56.93 55.32 3hfy s PHE 124 Cb -0.11 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 3hfy s PHE 124 CO 0.00 -0.34 0.09 -1.59 -1.34 0.00 0.00 175.22 172.04 3hfy s LYS 125 N -2.68 3.43 0.34 1.99 0.00 -1.26 0.19 119.74 121.75 3hfy s LYS 125 Ca -0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 55.97 55.40 3hfy s LYS 125 Cb -0.01 -3.10 -0.10 0.00 0.00 0.00 0.00 37.83 34.62 3hfy s LYS 125 CO -0.05 0.66 1.32 0.45 0.00 0.00 0.00 175.35 177.73 3hfy s SER 126 N -0.71 6.73 0.43 0.03 0.15 0.31 -4.89 113.70 115.75 3hfy s SER 126 Ca 0.12 2.71 0.23 0.00 0.70 0.00 0.00 55.95 59.71 3hfy s SER 126 Cb -0.12 -2.65 0.35 0.00 -1.71 0.00 0.00 66.02 61.89 3hfy s SER 126 CO 0.03 -0.57 1.61 1.12 1.20 0.00 0.00 173.24 176.63 3hfy h HIS 127 N 3.33 0.00 -0.11 3.44 2.07 -1.94 0.60 115.15 122.53 3hfy h HIS 127 Ca -0.49 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 56.80 3hfy h HIS 127 Cb 1.23 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.22 3hfy h HIS 127 CO 0.56 0.03 -0.82 -0.07 -3.07 0.00 0.00 177.93 174.55 3hfy h LEU 128 N 0.00 0.86 -3.39 6.12 3.38 -1.96 -3.41 115.31 116.91 3hfy h LEU 128 Ca -0.00 -0.59 -0.15 0.00 0.09 0.00 0.00 57.88 57.23 3hfy h LEU 128 Cb 1.01 -0.26 -0.17 0.00 0.09 0.00 0.00 40.66 41.33 3hfy h LEU 128 CO 0.00 1.38 -0.37 0.47 0.09 0.00 0.00 178.44 180.01 3hfy n ASP 129 N -3.90 -0.92 -0.55 -0.43 10.43 -1.25 -5.02 116.55 114.91 3hfy n ASP 129 Ca -0.08 -2.09 -0.05 0.00 2.57 0.00 0.00 54.79 55.15 3hfy n ASP 129 Cb 0.77 0.37 -0.02 0.00 1.84 0.00 0.00 41.12 44.08 3hfy n ASP 129 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hfy n GLY 130 N -0.60 0.43 3.76 0.44 0.00 0.20 -4.93 105.19 104.49 3hfy n GLY 130 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3hfy n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfy s SER 131 N -1.41 5.65 0.03 1.61 1.04 -1.26 -4.32 113.70 115.05 3hfy s SER 131 Ca 0.00 2.48 -0.22 0.00 0.48 0.00 0.00 55.95 58.69 3hfy s SER 131 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 3hfy s SER 131 CO 0.00 -1.29 0.66 0.00 0.98 0.00 0.00 173.24 173.60 3hfy s ARG 132 N -2.91 4.39 0.02 4.02 1.04 -1.26 0.11 118.95 124.36 3hfy s ARG 132 Ca 0.69 0.88 0.04 0.00 -1.04 0.00 0.00 55.73 56.30 3hfy s ARG 132 Cb -0.33 -3.33 -0.02 0.00 -2.04 0.00 0.00 34.95 29.23 3hfy s ARG 132 CO 0.39 0.38 -0.13 -1.01 -0.04 0.00 0.00 175.30 174.88 3hfy s HIS 133 N -0.29 1.14 -0.05 5.89 4.02 0.51 -4.94 115.29 121.58 3hfy s HIS 133 Ca 0.34 -0.30 0.05 0.00 1.02 0.00 0.00 55.06 56.16 3hfy s HIS 133 Cb -0.19 -0.70 -0.00 0.00 -1.02 0.00 0.00 32.58 30.66 3hfy s HIS 133 CO 0.20 0.01 -0.20 0.00 1.02 0.00 0.00 174.74 175.77 3hfy s MET 134 N -0.85 2.08 0.01 1.40 0.00 -1.26 0.19 119.30 120.87 3hfy s MET 134 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 55.69 55.08 3hfy s MET 134 Cb -0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 34.83 32.97 3hfy s MET 134 CO 0.01 0.27 -0.22 -1.17 0.00 0.00 0.00 175.02 173.91 3hfy s LEU 135 N 0.03 2.09 0.26 0.18 2.96 0.32 -4.88 118.68 119.64 3hfy s LEU 135 Ca -0.05 -0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 3hfy s LEU 135 Cb -0.13 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3hfy s LEU 135 CO 0.03 0.23 0.61 -0.94 -1.32 0.00 0.00 176.35 174.96 3hfy s SER 136 N -0.78 -0.20 0.26 3.68 1.04 -1.26 -0.23 113.70 116.20 3hfy s SER 136 Ca 0.08 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3hfy s SER 136 Cb -0.09 0.66 0.44 0.00 0.10 0.00 0.00 66.02 67.14 3hfy s SER 136 CO 0.00 -1.24 1.84 -0.65 0.98 0.00 0.00 173.24 174.17 3hfy h PRO 137 N 2.11 0.93 -0.14 4.02 0.11 -1.88 0.34 132.00 137.50 3hfy h PRO 137 Ca -0.23 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 3hfy h PRO 137 Cb 1.25 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hfy h PRO 137 CO 0.29 0.61 -0.20 0.93 -0.21 0.00 0.00 178.00 179.42 3hfy h GLU 138 N 0.95 0.37 -0.27 1.05 3.07 -1.93 -2.56 114.58 115.27 3hfy h GLU 138 Ca 0.44 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.94 3hfy h GLU 138 Cb 0.35 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3hfy h GLU 138 CO -0.23 0.80 -0.40 -0.09 -1.40 0.00 0.00 179.01 177.69 3hfy h ARG 139 N -0.02 0.65 -0.59 2.33 9.65 -1.85 -1.79 114.38 122.76 3hfy h ARG 139 Ca 0.01 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.60 3hfy h ARG 139 Cb 0.76 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.31 3hfy h ARG 139 CO 0.05 0.94 0.34 1.03 2.80 0.00 0.00 179.97 185.12 3hfy h SER 140 N 0.53 0.53 -0.58 -3.80 0.87 -0.37 -0.80 113.55 109.94 3hfy h SER 140 Ca 0.05 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3hfy h SER 140 Cb 0.92 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3hfy h SER 140 CO 0.08 0.36 0.16 0.40 -0.53 0.00 0.00 176.83 177.31 3hfy h ILE 141 N 0.66 1.24 -0.65 2.23 1.08 -1.27 -1.18 117.51 119.62 3hfy h ILE 141 Ca 0.25 -0.85 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 3hfy h ILE 141 Cb 0.08 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3hfy h ILE 141 CO -0.13 0.32 0.21 -0.08 -0.69 0.00 0.00 178.15 177.78 3hfy h GLU 142 N 0.83 1.00 -0.43 2.37 4.57 -0.96 0.21 114.58 122.17 3hfy h GLU 142 Ca 0.19 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 3hfy h GLU 142 Cb 0.31 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3hfy h GLU 142 CO -0.00 0.87 -0.10 0.82 -1.18 0.00 0.00 179.01 179.43 3hfy h ILE 143 N 0.94 1.27 0.00 2.32 2.04 -0.96 -0.01 117.51 123.10 3hfy h ILE 143 Ca 0.21 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 3hfy h ILE 143 Cb 0.28 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hfy h ILE 143 CO -0.01 0.41 -0.38 1.56 0.00 0.00 0.00 178.15 179.73 3hfy h GLN 144 N 0.66 0.00 0.01 2.37 4.20 -0.97 0.36 115.11 121.75 3hfy h GLN 144 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3hfy h GLN 144 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3hfy h GLN 144 CO 0.04 0.38 -0.01 1.25 -0.67 0.00 0.00 178.83 179.82 3hfy h HIS 145 N 0.00 -0.02 -0.77 2.96 2.76 -0.52 -1.14 115.15 118.42 3hfy h HIS 145 Ca -0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3hfy h HIS 145 Cb 0.70 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.62 3hfy h HIS 145 CO 0.00 0.20 0.50 -0.07 -1.30 0.00 0.00 177.93 177.26 3hfy h LEU 146 N -0.23 0.66 -0.96 0.26 3.38 -0.65 -0.13 115.31 117.64 3hfy h LEU 146 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hfy h LEU 146 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hfy h LEU 146 CO 0.00 0.40 -0.29 -0.07 0.09 0.00 0.00 178.44 178.57 3hfy h LEU 147 N 0.74 0.00 0.00 1.67 3.38 -0.60 -3.37 115.31 117.13 3hfy h LEU 147 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3hfy h LEU 147 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hfy h LEU 147 CO -0.13 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.31 3hfy n GLY 148 N 0.26 0.64 3.67 0.83 0.00 -0.06 -1.22 105.19 109.31 3hfy n GLY 148 Ca 0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 3hfy n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hfy n SER 149 N 1.52 1.44 -0.01 1.61 2.88 -1.02 -4.89 113.62 115.14 3hfy n SER 149 Ca 0.00 0.82 -0.13 0.00 -1.33 0.00 0.00 58.87 58.23 3hfy n SER 149 Cb 0.18 -1.48 -0.14 0.00 -0.75 0.00 0.00 64.21 62.02 3hfy n SER 149 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hfy n ASP 150 N -1.35 1.31 -4.08 -3.46 9.92 -0.21 -4.80 116.55 113.88 3hfy n ASP 150 Ca 0.15 0.34 -0.32 0.00 -0.53 0.00 0.00 54.79 54.42 3hfy n ASP 150 Cb 0.48 -0.34 -0.16 0.00 -0.64 0.00 0.00 41.12 40.46 3hfy n ASP 150 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hfy s ILE 151 N -2.58 1.95 -0.13 0.53 1.01 -0.82 -1.02 121.20 120.13 3hfy s ILE 151 Ca -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.51 3hfy s ILE 151 Cb 0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3hfy s ILE 151 CO 0.81 0.42 0.07 -0.69 0.00 0.00 0.00 174.94 175.54 3hfy s VAL 152 N 1.31 4.87 -0.18 2.92 1.01 0.33 -1.64 120.40 129.01 3hfy s VAL 152 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3hfy s VAL 152 Cb -0.14 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3hfy s VAL 152 CO -0.11 0.56 0.11 -0.04 0.00 0.00 0.00 175.10 175.62 3hfy s MET 153 N -0.51 4.03 0.75 2.72 -1.94 -1.19 -1.49 119.30 121.66 3hfy s MET 153 Ca 0.10 -0.26 -0.15 0.00 -1.71 0.00 0.00 55.69 53.68 3hfy s MET 153 Cb -0.12 -3.32 0.02 0.00 2.01 0.00 0.00 34.83 33.42 3hfy s MET 153 CO 0.02 0.34 1.00 0.00 -0.01 0.00 0.00 175.02 176.37 3hfy n ALA 154 N 3.35 -0.27 -2.65 3.03 0.00 -0.75 -4.35 120.51 118.87 3hfy n ALA 154 Ca -0.17 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3hfy n ALA 154 Cb 0.52 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 3hfy n ALA 154 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hfy s PHE 155 N -1.89 3.34 0.34 0.00 2.19 -1.26 -4.65 117.98 116.04 3hfy s PHE 155 Ca 0.73 0.95 0.04 0.00 0.33 0.00 0.00 56.93 58.98 3hfy s PHE 155 Cb -0.33 -2.86 -0.02 0.00 -1.31 0.00 0.00 43.02 38.50 3hfy s PHE 155 CO 0.51 -0.26 0.16 -0.40 1.83 0.00 0.00 175.22 177.06 3hfy n ASP 156 N 5.41 0.69 -4.49 6.13 5.75 -1.26 -4.37 116.55 124.41 3hfy n ASP 156 Ca 0.00 -2.91 -0.38 0.00 -0.01 0.00 0.00 54.79 51.49 3hfy n ASP 156 Cb 0.49 1.06 -0.12 0.00 -1.03 0.00 0.00 41.12 41.53 3hfy n ASP 156 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3hfy s GLU 157 N -3.32 3.60 0.49 0.11 2.12 -1.26 -4.79 118.70 115.65 3hfy s GLU 157 Ca 0.23 -0.54 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 3hfy s GLU 157 Cb 0.01 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.79 3hfy s GLU 157 CO 0.16 -0.29 1.41 0.00 -0.54 0.00 0.00 175.26 176.00 3hfy s THR 159 N -1.23 2.66 0.64 0.00 2.01 -1.26 -5.04 115.64 113.41 3hfy s THR 159 Ca 0.65 -1.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 3hfy s THR 159 Cb -0.43 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3hfy s THR 159 CO 0.54 0.02 1.26 -2.65 -0.69 0.00 0.00 174.62 173.10 3hfy n PRO 160 N 4.57 1.12 -4.89 4.92 -0.02 -1.26 -4.93 135.00 134.51 3hfy n PRO 160 Ca -0.15 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 3hfy n PRO 160 Cb 0.44 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 3hfy n PRO 160 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hfy s TYR 161 N -1.39 2.61 0.53 6.00 5.04 -1.26 -3.09 117.35 125.79 3hfy s TYR 161 Ca 0.81 -1.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.18 3hfy s TYR 161 Cb -0.39 -1.76 -0.01 0.00 0.35 0.00 0.00 41.96 40.15 3hfy s TYR 161 CO 0.41 -0.53 0.83 -1.25 -1.34 0.00 0.00 175.55 173.67 3hfy s PRO 162 N 0.62 3.17 0.03 4.97 0.05 -1.26 -5.02 135.00 137.57 3hfy s PRO 162 Ca -0.12 0.01 0.07 0.00 0.05 0.00 0.00 61.00 61.01 3hfy s PRO 162 Cb -0.17 -2.35 -0.02 0.00 0.05 0.00 0.00 34.50 32.01 3hfy s PRO 162 CO 0.03 -0.46 -0.20 0.00 0.05 0.00 0.00 177.00 176.42 3hfy s ALA 163 N -2.84 1.66 0.75 8.56 0.00 -1.18 -5.12 121.76 123.59 3hfy s ALA 163 Ca 0.51 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 3hfy s ALA 163 Cb -0.10 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3hfy s ALA 163 CO 0.44 0.37 1.10 0.95 0.00 0.00 0.00 175.76 178.62 3hfy s THR 164 N -0.75 3.30 0.26 0.00 -4.23 -1.26 -4.80 115.64 108.16 3hfy s THR 164 Ca 0.07 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3hfy s THR 164 Cb -0.08 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.06 3hfy s THR 164 CO 0.01 -0.52 1.85 -0.65 -0.54 0.00 0.00 174.62 174.77 3hfy h PRO 165 N -0.91 0.97 -0.05 3.99 0.11 -2.00 0.13 132.00 134.24 3hfy h PRO 165 Ca -0.44 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3hfy h PRO 165 Cb 1.23 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3hfy h PRO 165 CO 0.52 0.64 -0.04 1.03 -0.21 0.00 0.00 178.00 179.94 3hfy h SER 166 N 1.00 -0.13 -0.27 -2.05 0.87 -1.99 0.19 113.55 111.17 3hfy h SER 166 Ca 0.43 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.90 3hfy h SER 166 Cb 0.29 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3hfy h SER 166 CO -0.21 -0.06 -0.26 0.03 -0.53 0.00 0.00 176.83 175.80 3hfy h ARG 167 N -0.05 0.76 -0.61 2.24 2.47 -1.78 -1.54 114.38 115.87 3hfy h ARG 167 Ca 0.03 -0.32 -0.06 0.00 -1.26 0.00 0.00 59.98 58.37 3hfy h ARG 167 Cb 0.10 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3hfy h ARG 167 CO -0.08 0.94 0.14 0.00 0.56 0.00 0.00 179.97 181.53 3hfy h ALA 168 N 1.05 1.09 -0.23 0.04 0.00 -0.50 -1.04 119.26 119.67 3hfy h ALA 168 Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3hfy h ALA 168 Cb 0.77 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hfy h ALA 168 CO 0.06 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.57 3hfy h ALA 169 N 1.23 0.36 -0.78 0.00 0.00 -0.29 -0.08 119.26 119.70 3hfy h ALA 169 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hfy h ALA 169 Cb 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hfy h ALA 169 CO 0.00 0.42 0.45 0.77 0.00 0.00 0.00 179.25 180.89 3hfy h SER 170 N 0.35 0.95 -0.17 0.00 0.02 -1.11 0.90 113.55 114.49 3hfy h SER 170 Ca 0.02 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3hfy h SER 170 Cb 0.94 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 3hfy h SER 170 CO 0.08 0.76 -0.14 -1.28 -1.14 0.00 0.00 176.83 175.11 3hfy h SER 171 N 1.07 0.41 -0.59 3.07 0.87 -1.13 -2.47 113.55 114.78 3hfy h SER 171 Ca 0.28 -0.46 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 3hfy h SER 171 Cb -0.00 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 3hfy h SER 171 CO -0.05 0.78 0.32 -0.03 -0.53 0.00 0.00 176.83 177.33 3hfy h MET 172 N 0.04 0.60 -0.67 2.24 -1.53 -0.82 -0.68 114.93 114.10 3hfy h MET 172 Ca 0.03 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 3hfy h MET 172 Cb 0.65 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.54 3hfy h MET 172 CO 0.04 0.40 0.30 0.93 0.14 0.00 0.00 176.91 178.72 3hfy h GLU 173 N 0.62 0.98 -0.48 0.39 5.08 -0.75 -0.76 114.58 119.66 3hfy h GLU 173 Ca 0.26 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3hfy h GLU 173 Cb 0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3hfy h GLU 173 CO -0.15 0.79 0.23 -0.09 -1.00 0.00 0.00 179.01 178.79 3hfy h ARG 174 N 0.94 0.69 -0.95 2.33 2.43 -1.22 -1.91 114.38 116.69 3hfy h ARG 174 Ca 0.23 -0.10 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 3hfy h ARG 174 Cb 0.15 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 3hfy h ARG 174 CO -0.03 0.58 0.61 0.77 -1.51 0.00 0.00 179.97 180.39 3hfy h SER 175 N 0.63 0.84 0.57 -3.80 0.02 -0.78 0.21 113.55 111.24 3hfy h SER 175 Ca 0.17 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3hfy h SER 175 Cb 0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3hfy h SER 175 CO -0.02 0.45 -0.64 0.24 -1.14 0.00 0.00 176.83 175.72 3hfy h MET 176 N 0.90 0.07 -0.62 3.45 2.86 -0.54 0.22 114.93 121.27 3hfy h MET 176 Ca 0.46 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 3hfy h MET 176 Cb 0.52 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3hfy h MET 176 CO -0.23 0.69 0.04 0.00 1.06 0.00 0.00 176.91 178.48 3hfy h ARG 177 N 0.05 1.06 0.00 1.72 3.08 -0.54 -2.55 114.38 117.20 3hfy h ARG 177 Ca -0.01 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 3hfy h ARG 177 Cb 1.15 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3hfy h ARG 177 CO 0.09 1.01 -0.36 -1.49 -1.07 0.00 0.00 179.97 178.15 3hfy h TRP 178 N 0.96 0.00 -0.53 3.04 4.06 -0.28 -2.40 115.95 120.80 3hfy h TRP 178 Ca 0.18 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.03 3hfy h TRP 178 Cb 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 3hfy h TRP 178 CO 0.04 0.36 -0.06 0.00 -3.56 0.00 0.00 178.44 175.22 3hfy h ALA 179 N 1.64 0.73 -0.55 1.49 0.00 -0.30 -0.42 119.26 121.85 3hfy h ALA 179 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3hfy h ALA 179 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hfy h ALA 179 CO 0.05 0.60 0.12 -0.22 0.00 0.00 0.00 179.25 179.80 3hfy h LYS 180 N 0.85 0.89 -0.62 0.00 1.63 -1.26 -1.66 116.57 116.41 3hfy h LYS 180 Ca 0.14 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 3hfy h LYS 180 Cb 0.62 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3hfy h LYS 180 CO 0.04 0.84 0.16 0.00 -3.45 0.00 0.00 179.45 177.04 3hfy h ARG 181 N 0.78 0.95 -0.32 1.90 3.08 -1.23 -2.19 114.38 117.36 3hfy h ARG 181 Ca 0.17 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3hfy h ARG 181 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3hfy h ARG 181 CO 0.00 0.84 0.11 0.77 -1.07 0.00 0.00 179.97 180.63 3hfy h SER 182 N 0.92 0.45 -0.33 7.04 0.02 -0.86 -0.61 113.55 120.17 3hfy h SER 182 Ca 0.20 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3hfy h SER 182 Cb 0.31 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 3hfy h SER 182 CO -0.00 0.51 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.09 3hfy h ARG 183 N 0.36 0.07 -0.11 3.45 9.65 -1.10 0.11 114.38 126.80 3hfy h ARG 183 Ca 0.10 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3hfy h ARG 183 Cb 0.21 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3hfy h ARG 183 CO -0.01 0.04 0.04 -0.44 2.80 0.00 0.00 179.97 182.41 3hfy h ASP 184 N 0.07 0.17 -0.75 -3.80 3.32 -1.25 0.37 116.42 114.54 3hfy h ASP 184 Ca 0.16 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3hfy h ASP 184 Cb 0.23 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3hfy h ASP 184 CO -0.29 0.31 0.40 0.00 -1.72 0.00 0.00 179.24 177.94 3hfy h ALA 185 N 0.86 1.27 -0.09 3.45 0.00 -0.90 -1.01 119.26 122.83 3hfy h ALA 185 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hfy h ALA 185 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hfy h ALA 185 CO -0.00 0.58 0.03 0.35 0.00 0.00 0.00 179.25 180.22 3hfy h PHE 186 N 1.07 0.14 0.00 0.00 3.04 -0.47 -2.87 116.94 117.85 3hfy h PHE 186 Ca 0.27 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.20 3hfy h PHE 186 Cb 0.06 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.53 3hfy h PHE 186 CO 0.01 0.26 0.00 -0.44 -2.02 0.00 0.00 178.31 176.12 3hfy h ASP 187 N -0.02 0.00 0.03 0.41 3.32 -0.47 -2.80 116.42 116.88 3hfy h ASP 187 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3hfy h ASP 187 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hfy h ASP 187 CO -0.00 0.00 -0.04 -1.54 -1.72 0.00 0.00 179.24 175.94 3hfy n SER 188 N -2.83 1.38 -4.16 6.45 3.41 -0.43 -4.58 113.62 112.85 3hfy n SER 188 Ca -0.01 -1.39 -0.39 0.00 -0.26 0.00 0.00 58.87 56.83 3hfy n SER 188 Cb 0.18 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3hfy n SER 188 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hfy s ARG 189 N -2.08 2.51 0.24 4.33 0.52 -1.06 -5.00 118.95 118.42 3hfy s ARG 189 Ca 0.36 -2.12 -0.08 0.00 -0.52 0.00 0.00 55.73 53.38 3hfy s ARG 189 Cb 0.21 -3.83 0.40 0.00 0.52 0.00 0.00 34.95 32.24 3hfy s ARG 189 CO 0.36 -1.17 1.65 1.57 0.02 0.00 0.00 175.30 177.74 3hfy h LYS 190 N 7.80 0.13 -0.79 3.54 5.09 -1.84 -0.46 116.57 130.04 3hfy h LYS 190 Ca -0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 60.65 60.60 3hfy h LYS 190 Cb 1.02 -0.03 -0.04 0.00 0.10 0.00 0.00 32.23 33.29 3hfy h LYS 190 CO 0.76 0.09 0.36 1.05 -2.09 0.00 0.00 179.45 179.62 3hfy h GLU 191 N 0.14 1.16 -0.13 0.07 -0.00 -1.94 -1.98 114.58 111.89 3hfy h GLU 191 Ca 0.39 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.36 59.54 3hfy h GLU 191 Cb 0.66 -0.20 -0.00 0.00 -0.00 0.00 0.00 28.75 29.21 3hfy h GLU 191 CO -0.59 0.91 0.00 0.37 -0.00 0.00 0.00 179.01 179.70 3hfy h GLN 192 N 1.13 0.23 -0.11 1.06 4.15 -1.44 -2.46 115.11 117.66 3hfy h GLN 192 Ca 0.27 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hfy h GLN 192 Cb 0.15 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3hfy h GLN 192 CO -0.03 0.45 0.08 0.00 -1.93 0.00 0.00 178.83 177.40 3hfy h ALA 193 N 0.76 1.96 0.00 3.38 0.00 -0.93 0.18 119.26 124.61 3hfy h ALA 193 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3hfy h ALA 193 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hfy h ALA 193 CO 0.01 0.02 -1.39 0.39 0.00 0.00 0.00 179.25 178.28 3hfy n GLU 194 N -4.52 0.62 0.00 0.00 1.02 -0.77 -4.48 120.64 112.51 3hfy n GLU 194 Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3hfy n GLU 194 Cb 0.11 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3hfy n GLU 194 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hfy n ASN 195 N -2.79 0.25 -4.81 1.62 3.02 -0.93 -4.75 115.26 106.88 3hfy n ASN 195 Ca -0.08 -0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 53.78 3hfy n ASN 195 Cb 0.76 0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 40.72 3hfy n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfy n ALA 196 N -0.85 0.63 -2.76 5.41 0.00 0.61 -4.74 120.51 118.80 3hfy n ALA 196 Ca 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 53.44 50.99 3hfy n ALA 196 Cb 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.46 3hfy n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfy s ALA 197 N -2.85 0.83 -0.11 0.00 0.00 -0.19 -4.76 121.76 114.67 3hfy s ALA 197 Ca 0.14 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hfy s ALA 197 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3hfy s ALA 197 CO 0.09 0.04 -0.20 -1.17 0.00 0.00 0.00 175.76 174.51 3hfy s LEU 198 N -1.75 2.31 -0.10 0.00 0.20 -1.26 -0.51 118.68 117.57 3hfy s LEU 198 Ca -0.05 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.25 3hfy s LEU 198 Cb -0.09 -1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 3hfy s LEU 198 CO 0.01 0.16 0.05 -0.36 -0.29 0.00 0.00 176.35 175.92 3hfy s PHE 199 N 0.34 3.32 0.24 5.38 0.40 -0.56 0.14 117.98 127.25 3hfy s PHE 199 Ca -0.16 0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.51 3hfy s PHE 199 Cb -0.17 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 3hfy s PHE 199 CO 0.08 0.57 0.39 0.20 0.70 0.00 0.00 175.22 177.16 3hfy s GLY 200 N -0.92 1.43 -0.16 4.36 0.00 -0.43 -1.81 107.32 109.79 3hfy s GLY 200 Ca 0.14 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.82 3hfy s GLY 200 CO 0.03 -1.04 -0.21 -0.42 0.00 0.00 0.00 173.10 171.46 3hfy s ILE 201 N -1.99 2.09 0.10 0.90 1.01 -1.26 -0.54 121.20 121.51 3hfy s ILE 201 Ca 0.36 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 3hfy s ILE 201 Cb -0.10 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3hfy s ILE 201 CO 0.30 0.54 1.12 -1.58 0.00 0.00 0.00 174.94 175.33 3hfy s GLN 202 N 1.04 4.52 0.00 2.79 0.74 0.39 -4.83 119.66 124.31 3hfy s GLN 202 Ca -0.01 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.09 3hfy s GLN 202 Cb -0.14 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3hfy s GLN 202 CO -0.07 -0.08 0.00 1.04 -0.55 0.00 0.00 175.29 175.63 3hfy n GLN 203 N 3.27 3.33 0.00 1.67 1.13 -1.26 -0.23 117.38 125.28 3hfy n GLN 203 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3hfy n GLN 203 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.82 3hfy n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hfy n GLY 204 N 4.34 1.31 7.00 1.08 0.00 -1.26 -4.15 105.19 113.51 3hfy n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hfy n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hfy n SER 205 N 0.00 0.00 -0.88 1.61 2.88 -1.26 -2.36 113.62 113.61 3hfy n SER 205 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3hfy n SER 205 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 3hfy n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hfy n VAL 206 N 0.00 1.44 -3.41 2.46 0.24 -1.26 -4.95 118.33 112.85 3hfy n VAL 206 Ca 0.00 -1.25 -0.37 0.00 -2.04 0.00 0.00 64.34 60.68 3hfy n VAL 206 Cb 0.00 0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 3hfy n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3hfy s PHE 207 N -1.58 3.50 0.16 6.34 0.08 -0.99 -4.96 117.98 120.53 3hfy s PHE 207 Ca 0.33 0.78 -0.11 0.00 0.12 0.00 0.00 56.93 58.06 3hfy s PHE 207 Cb 0.21 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3hfy s PHE 207 CO 0.16 0.21 1.56 1.49 -0.10 0.00 0.00 175.22 178.55 3hfy h GLU 208 N 6.62 0.97 -0.57 0.44 4.81 -1.93 -2.33 114.58 122.60 3hfy h GLU 208 Ca -0.41 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.37 3hfy h GLU 208 Cb 1.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3hfy h GLU 208 CO 0.75 1.06 0.10 -2.95 -0.73 0.00 0.00 179.01 177.24 3hfy h ASN 209 N 0.83 0.85 -0.43 1.04 -1.07 -1.95 -1.85 115.58 113.00 3hfy h ASN 209 Ca 0.12 -0.18 -0.14 0.00 0.07 0.00 0.00 56.30 56.17 3hfy h ASN 209 Cb 0.72 -0.22 -0.01 0.00 -2.07 0.00 0.00 38.32 36.74 3hfy h ASN 209 CO 0.05 0.85 -0.29 -0.07 0.07 0.00 0.00 177.43 178.05 3hfy h LEU 210 N 0.86 0.99 -0.46 6.14 4.07 -1.84 -1.69 115.31 123.38 3hfy h LEU 210 Ca 0.18 -0.43 0.02 0.00 0.08 0.00 0.00 57.88 57.73 3hfy h LEU 210 Cb 0.36 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 3hfy h LEU 210 CO 0.01 1.21 0.29 0.03 -1.08 0.00 0.00 178.44 178.89 3hfy h ARG 211 N 0.79 0.56 -0.63 1.13 2.47 -1.08 0.15 114.38 117.76 3hfy h ARG 211 Ca 0.09 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3hfy h ARG 211 Cb 0.87 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.04 3hfy h ARG 211 CO 0.08 0.37 0.36 0.37 0.56 0.00 0.00 179.97 181.71 3hfy h GLN 212 N 0.58 0.87 -0.19 0.04 5.75 -1.24 0.37 115.11 121.29 3hfy h GLN 212 Ca 0.18 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3hfy h GLN 212 Cb -0.01 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 3hfy h GLN 212 CO -0.07 0.64 0.07 1.96 -2.65 0.00 0.00 178.83 178.79 3hfy h GLN 213 N 0.86 0.16 -0.09 1.69 4.20 -0.93 -0.23 115.11 120.78 3hfy h GLN 213 Ca 0.23 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3hfy h GLN 213 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3hfy h GLN 213 CO -0.04 0.11 0.05 1.03 -0.67 0.00 0.00 178.83 179.31 3hfy h SER 214 N 0.17 0.11 -0.73 1.46 0.87 -0.18 -1.03 113.55 114.21 3hfy h SER 214 Ca 0.08 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3hfy h SER 214 Cb 0.05 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 3hfy h SER 214 CO -0.08 0.12 0.42 0.00 -0.53 0.00 0.00 176.83 176.76 3hfy h ALA 215 N 0.99 0.98 -0.52 6.23 0.00 -0.11 -1.63 119.26 125.20 3hfy h ALA 215 Ca 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hfy h ALA 215 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hfy h ALA 215 CO -0.01 0.12 -0.11 -0.44 0.00 0.00 0.00 179.25 178.82 3hfy h ASP 216 N 0.77 0.97 -0.13 0.00 3.32 -0.73 -0.51 116.42 120.11 3hfy h ASP 216 Ca 0.32 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hfy h ASP 216 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3hfy h ASP 216 CO -0.18 1.08 0.06 0.00 -1.72 0.00 0.00 179.24 178.48 3hfy h ALA 217 N 1.00 0.17 0.13 3.45 0.00 -0.78 -0.23 119.26 123.01 3hfy h ALA 217 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hfy h ALA 217 Cb 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hfy h ALA 217 CO 0.05 -0.26 -0.23 -0.07 0.00 0.00 0.00 179.25 178.73 3hfy h LEU 218 N 0.08 -0.64 -1.48 0.00 4.07 -1.24 -0.43 115.31 115.66 3hfy h LEU 218 Ca 0.05 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3hfy h LEU 218 Cb 0.13 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3hfy h LEU 218 CO -0.01 -0.32 0.06 0.00 -1.08 0.00 0.00 178.44 177.09 3hfy h ALA 219 N 0.33 1.59 -0.32 1.53 0.00 -0.99 0.33 119.26 121.72 3hfy h ALA 219 Ca 0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hfy h ALA 219 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hfy h ALA 219 CO -0.12 0.31 -0.24 1.05 0.00 0.00 0.00 179.25 180.26 3hfy h GLU 220 N 0.39 0.63 -0.12 0.00 4.11 -0.12 -2.89 114.58 116.58 3hfy h GLU 220 Ca 0.09 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 3hfy h GLU 220 Cb 0.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hfy h GLU 220 CO -0.00 0.82 -0.17 0.82 0.07 0.00 0.00 179.01 180.54 3hfy h ILE 221 N 0.56 1.37 -0.37 -1.06 2.04 -0.32 -3.50 117.51 116.22 3hfy h ILE 221 Ca 0.08 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3hfy h ILE 221 Cb 0.70 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3hfy h ILE 221 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.22 3hfy n GLY 222 N 0.31 -1.72 3.40 5.37 0.00 0.11 -5.11 105.19 107.55 3hfy n GLY 222 Ca -0.07 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 3hfy n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hfy s PHE 223 N -0.27 1.70 -0.19 1.61 0.08 -1.26 -5.03 117.98 114.62 3hfy s PHE 223 Ca 0.00 -1.27 0.17 0.00 0.12 0.00 0.00 56.93 55.95 3hfy s PHE 223 Cb 0.00 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.48 3hfy s PHE 223 CO 0.00 -0.36 1.26 -0.44 -0.10 0.00 0.00 175.22 175.57 3hfy h ASP 224 N 2.10 0.00 -5.06 1.36 3.32 -0.69 -3.47 116.42 113.98 3hfy h ASP 224 Ca -0.35 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 3hfy h ASP 224 Cb 1.25 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 3hfy h ASP 224 CO 0.57 0.41 -0.15 -0.83 -1.72 0.00 0.00 179.24 177.51 3hfy s GLY 225 N -4.51 -0.21 -0.15 2.75 0.00 -1.21 -4.40 107.32 99.59 3hfy s GLY 225 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3hfy s GLY 225 CO 0.76 -0.16 -0.11 -0.19 0.00 0.00 0.00 173.10 173.40 3hfy s TYR 226 N -2.91 2.04 0.20 1.90 1.51 -0.60 -1.31 117.35 118.17 3hfy s TYR 226 Ca -0.03 -1.19 -0.10 0.00 -1.01 0.00 0.00 57.07 54.75 3hfy s TYR 226 Cb 0.00 -1.51 -0.07 0.00 -0.11 0.00 0.00 41.96 40.28 3hfy s TYR 226 CO -0.06 -0.65 0.53 0.00 -1.11 0.00 0.00 175.55 174.27 3hfy s ALA 227 N 1.53 3.59 -0.43 3.71 0.00 0.30 -0.91 121.76 129.56 3hfy s ALA 227 Ca 0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 3hfy s ALA 227 Cb -0.14 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3hfy s ALA 227 CO -0.09 0.51 0.48 0.08 0.00 0.00 0.00 175.76 176.74 3hfy s VAL 228 N -1.71 5.03 0.44 0.00 1.01 0.22 -0.46 120.40 124.93 3hfy s VAL 228 Ca 0.44 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3hfy s VAL 228 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3hfy s VAL 228 CO 0.21 -0.47 0.64 -0.83 0.00 0.00 0.00 175.10 174.65 3hfy s GLY 229 N 1.86 1.63 0.00 4.51 0.00 0.68 -3.60 107.32 112.40 3hfy s GLY 229 Ca 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3hfy s GLY 229 CO 0.15 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.81 3hfy n GLY 230 N -2.01 0.55 0.69 0.20 0.00 -1.26 -4.67 105.19 98.68 3hfy n GLY 230 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3hfy n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfy n LEU 231 N 0.00 2.74 -3.25 0.99 4.77 -1.26 -4.58 117.00 116.41 3hfy n LEU 231 Ca 0.00 -1.60 -0.37 0.00 -0.03 0.00 0.00 56.01 54.01 3hfy n LEU 231 Cb 0.00 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3hfy n LEU 231 CO 0.00 0.63 1.09 0.00 -1.33 0.00 0.00 177.39 177.78 3hfy n ALA 232 N 0.75 5.80 -2.31 -1.18 0.00 -1.26 -4.74 120.51 117.56 3hfy n ALA 232 Ca 0.12 -4.51 -0.02 0.00 0.00 0.00 0.00 53.44 49.03 3hfy n ALA 232 Cb 0.42 -1.71 0.07 0.00 0.00 0.00 0.00 19.45 18.22 3hfy n ALA 232 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hfy n VAL 233 N -0.23 1.30 -1.30 0.00 0.24 -1.26 -4.99 118.33 112.09 3hfy n VAL 233 Ca 0.44 -2.62 -0.02 0.00 -2.04 0.00 0.00 64.34 60.11 3hfy n VAL 233 Cb 0.31 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 3hfy n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hfy n GLY 234 N -0.38 0.47 0.17 7.63 0.00 -1.26 -4.74 105.19 107.08 3hfy n GLY 234 Ca 0.16 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.35 3hfy n GLY 234 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hfy h GLU 235 N 0.00 0.00 0.00 1.61 9.09 -1.94 -3.50 114.58 119.84 3hfy h GLU 235 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3hfy h GLU 235 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3hfy h GLU 235 CO 0.06 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.53 3hfy n GLY 236 N 1.18 0.30 0.34 1.06 0.00 -1.26 -4.53 105.19 102.28 3hfy n GLY 236 Ca 0.04 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 44.63 3hfy n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hfy h GLN 237 N 0.00 0.99 0.11 1.61 4.15 -1.99 -1.66 115.11 118.33 3hfy h GLN 237 Ca 0.00 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.38 3hfy h GLN 237 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 3hfy h GLN 237 CO 0.00 0.65 -0.29 -0.44 -1.93 0.00 0.00 178.83 176.82 3hfy h ASP 238 N 1.02 -0.84 -0.59 -0.69 5.19 -2.00 0.13 116.42 118.64 3hfy h ASP 238 Ca 0.40 0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.85 3hfy h ASP 238 Cb 0.21 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3hfy h ASP 238 CO -0.19 -0.38 0.16 -0.33 -3.12 0.00 0.00 179.24 175.38 3hfy h GLU 239 N -0.51 0.97 -0.26 3.56 4.39 -1.72 -0.70 114.58 120.32 3hfy h GLU 239 Ca 0.03 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.54 3hfy h GLU 239 Cb 0.54 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3hfy h GLU 239 CO -0.17 0.86 0.10 1.98 -1.16 0.00 0.00 179.01 180.62 3hfy h MET 240 N 0.93 0.23 -0.47 2.33 4.05 -0.68 0.23 114.93 121.54 3hfy h MET 240 Ca 0.20 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.52 3hfy h MET 240 Cb 0.32 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 3hfy h MET 240 CO -0.00 0.15 -0.04 0.74 0.23 0.00 0.00 176.91 177.99 3hfy h PHE 241 N 0.23 0.95 -0.22 1.39 0.04 -0.39 0.84 116.94 119.78 3hfy h PHE 241 Ca 0.11 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.76 3hfy h PHE 241 Cb 0.06 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 37.91 3hfy h PHE 241 CO -0.12 0.91 -0.18 -0.09 -0.60 0.00 0.00 178.31 178.24 3hfy h ARG 242 N 0.71 -0.17 -0.04 1.51 2.43 -0.92 0.85 114.38 118.73 3hfy h ARG 242 Ca 0.13 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3hfy h ARG 242 Cb 0.56 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3hfy h ARG 242 CO 0.03 -0.11 -0.32 0.28 -1.51 0.00 0.00 179.97 178.34 3hfy h VAL 243 N -0.18 1.25 -0.17 0.20 2.07 -0.54 -2.50 116.25 116.38 3hfy h VAL 243 Ca 0.13 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 3hfy h VAL 243 Cb 0.37 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hfy h VAL 243 CO -0.33 0.34 -0.41 -0.07 0.02 0.00 0.00 177.57 177.12 3hfy h LEU 244 N 0.07 0.40 -1.31 2.57 3.38 0.21 -1.62 115.31 119.02 3hfy h LEU 244 Ca 0.01 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hfy h LEU 244 Cb 0.61 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3hfy h LEU 244 CO 0.04 0.77 0.52 0.44 0.09 0.00 0.00 178.44 180.31 3hfy h ASP 245 N 0.32 0.72 0.08 -0.43 3.32 -0.40 -2.36 116.42 117.67 3hfy h ASP 245 Ca 0.03 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3hfy h ASP 245 Cb 0.86 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3hfy h ASP 245 CO 0.07 0.45 -1.95 2.22 -1.72 0.00 0.00 179.24 178.32 3hfy n PHE 246 N -4.49 0.08 -0.00 4.55 1.16 -1.20 -4.60 117.46 112.96 3hfy n PHE 246 Ca 0.12 0.02 -0.17 0.00 -1.87 0.00 0.00 57.45 55.56 3hfy n PHE 246 Cb 0.26 -0.57 -0.12 0.00 -1.61 0.00 0.00 39.48 37.43 3hfy n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 3hfy h SER 247 N 0.00 0.34 -0.68 5.98 0.02 -0.88 -3.35 113.55 114.98 3hfy h SER 247 Ca -0.04 -0.84 -0.05 0.00 -0.84 0.00 0.00 61.79 60.02 3hfy h SER 247 Cb 1.09 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 3hfy h SER 247 CO 0.00 1.15 0.24 0.58 -1.14 0.00 0.00 176.83 177.66 3hfy h VAL 248 N -0.42 1.25 0.00 2.27 2.07 -1.68 -1.79 116.25 117.95 3hfy h VAL 248 Ca -0.07 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3hfy h VAL 248 Cb 1.25 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3hfy h VAL 248 CO 0.09 0.32 0.00 -2.65 0.02 0.00 0.00 177.57 175.35 3hfy n PRO 249 N -4.35 0.10 0.18 1.57 -0.02 -1.26 -1.60 135.00 129.62 3hfy n PRO 249 Ca 0.05 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3hfy n PRO 249 Cb 0.20 -1.74 0.23 0.00 -0.02 0.00 0.00 33.50 32.17 3hfy n PRO 249 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3hfy h MET 250 N 0.00 0.00 -7.21 -0.52 2.86 -1.45 -3.45 114.93 105.15 3hfy h MET 250 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 3hfy h MET 250 Cb 0.15 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.86 3hfy h MET 250 CO 0.00 0.36 0.38 -0.51 1.06 0.00 0.00 176.91 178.20 3hfy s LEU 251 N -6.65 3.49 0.12 1.22 1.43 -0.62 -4.84 118.68 112.83 3hfy s LEU 251 Ca 0.02 1.71 -0.34 0.00 -1.03 0.00 0.00 54.13 54.49 3hfy s LEU 251 Cb 0.09 -4.52 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 3hfy s LEU 251 CO 0.69 -0.99 1.63 -2.65 0.23 0.00 0.00 176.35 175.26 3hfy n PRO 252 N -2.01 2.17 0.21 1.29 -0.02 -1.26 -4.86 135.00 130.52 3hfy n PRO 252 Ca 0.08 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.42 3hfy n PRO 252 Cb 0.53 -2.57 0.46 0.00 -0.02 0.00 0.00 33.50 31.91 3hfy n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hfy h ASP 253 N 6.49 0.00 -0.39 2.55 1.82 -1.92 -2.96 116.42 122.01 3hfy h ASP 253 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3hfy h ASP 253 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 3hfy h ASP 253 CO 0.90 0.28 0.00 -0.90 -1.61 0.00 0.00 179.24 177.90 3hfy n ASP 254 N -3.59 2.69 -4.38 2.28 3.85 -1.26 -4.84 116.55 111.29 3hfy n ASP 254 Ca -0.01 -2.16 -0.23 0.00 -0.71 0.00 0.00 54.79 51.68 3hfy n ASP 254 Cb 0.41 -0.38 -0.11 0.00 -1.35 0.00 0.00 41.12 39.69 3hfy n ASP 254 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3hfy s LYS 255 N -1.61 1.40 0.42 0.11 1.02 -1.12 -4.90 119.74 115.05 3hfy s LYS 255 Ca 0.29 -1.50 -0.26 0.00 0.02 0.00 0.00 55.97 54.52 3hfy s LYS 255 Cb 0.17 -1.53 -0.08 0.00 -0.52 0.00 0.00 37.83 35.87 3hfy s LYS 255 CO 0.16 0.31 1.29 -2.14 -0.92 0.00 0.00 175.35 174.05 3hfy s PRO 256 N -2.91 3.92 -0.21 -1.68 0.02 -1.26 -4.86 135.00 128.03 3hfy s PRO 256 Ca 0.19 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 3hfy s PRO 256 Cb -0.06 -2.71 -0.02 0.00 0.02 0.00 0.00 34.50 31.73 3hfy s PRO 256 CO 0.09 -0.52 -0.01 -1.01 -0.33 0.00 0.00 177.00 175.21 3hfy s HIS 257 N -1.28 3.00 -0.19 6.54 3.76 -1.26 -1.56 115.29 124.30 3hfy s HIS 257 Ca 0.58 -0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 54.86 3hfy s HIS 257 Cb -0.37 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 3hfy s HIS 257 CO 0.48 -0.34 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.47 3hfy s TYR 258 N 1.15 2.90 -0.54 1.40 5.04 -0.09 -1.08 117.35 126.14 3hfy s TYR 258 Ca 0.02 -0.96 -0.17 0.00 -2.44 0.00 0.00 57.07 53.52 3hfy s TYR 258 Cb -0.14 -2.01 0.10 0.00 0.35 0.00 0.00 41.96 40.25 3hfy s TYR 258 CO 0.01 -0.50 0.56 -1.17 -1.34 0.00 0.00 175.55 173.11 3hfy s LEU 259 N 1.17 5.64 0.22 6.97 2.96 0.15 0.72 118.68 136.51 3hfy s LEU 259 Ca 0.02 -1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 52.18 3hfy s LEU 259 Cb -0.14 -2.27 -0.09 0.00 0.50 0.00 0.00 46.19 44.19 3hfy s LEU 259 CO -0.03 -0.89 1.17 -0.04 -1.32 0.00 0.00 176.35 175.24 3hfy s MET 260 N 2.09 4.54 0.00 1.98 -1.94 -1.24 -3.42 119.30 121.31 3hfy s MET 260 Ca 0.08 1.86 0.00 0.00 -1.71 0.00 0.00 55.69 55.91 3hfy s MET 260 Cb -0.25 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.37 3hfy s MET 260 CO 0.06 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 3hfy n GLY 261 N 1.81 0.84 3.32 -0.03 0.00 -1.13 -4.41 105.19 105.59 3hfy n GLY 261 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3hfy n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfy s VAL 262 N -3.43 2.50 -2.23 1.61 1.01 -0.53 -4.73 120.40 114.59 3hfy s VAL 262 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3hfy s VAL 262 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3hfy s VAL 262 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3hfy n GLY 263 N 3.17 -0.67 3.73 4.51 0.00 -1.26 -2.97 105.19 111.70 3hfy n GLY 263 Ca -0.18 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3hfy n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfy s LYS 264 N -0.92 1.93 0.25 1.61 1.02 -1.26 -4.79 119.74 117.58 3hfy s LYS 264 Ca 0.00 1.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.43 3hfy s LYS 264 Cb 0.00 -1.84 0.46 0.00 -0.52 0.00 0.00 37.83 35.93 3hfy s LYS 264 CO 0.00 -1.94 1.76 -1.35 -0.92 0.00 0.00 175.35 172.90 3hfy h PRO 265 N -0.97 0.56 0.00 -1.68 0.11 -2.00 0.33 132.00 128.35 3hfy h PRO 265 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfy h PRO 265 Cb 1.26 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hfy h PRO 265 CO 0.48 0.37 -0.01 0.38 -0.21 0.00 0.00 178.00 179.02 3hfy h ASP 266 N 0.58 0.00 0.00 -2.05 2.03 -2.00 -2.12 116.42 112.86 3hfy h ASP 266 Ca 0.42 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.50 3hfy h ASP 266 Cb 0.56 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.07 3hfy h ASP 266 CO -0.34 0.01 -0.82 0.44 -1.03 0.00 0.00 179.24 177.49 3hfy h ASP 267 N 0.00 0.81 0.15 4.15 3.45 -1.29 -2.88 116.42 120.81 3hfy h ASP 267 Ca -0.00 -0.56 -0.01 0.00 0.43 0.00 0.00 57.03 56.90 3hfy h ASP 267 Cb 0.69 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3hfy h ASP 267 CO 0.00 1.34 -0.07 0.40 -1.57 0.00 0.00 179.24 179.34 3hfy h ILE 268 N 0.44 0.89 -0.31 0.35 2.04 -1.20 0.24 117.51 119.96 3hfy h ILE 268 Ca -0.06 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3hfy h ILE 268 Cb 1.44 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3hfy h ILE 268 CO 0.16 0.04 0.12 0.58 0.00 0.00 0.00 178.15 179.05 3hfy h VAL 269 N -0.28 0.94 -0.22 1.67 2.07 -1.46 0.25 116.25 119.21 3hfy h VAL 269 Ca -0.02 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3hfy h VAL 269 Cb 0.22 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3hfy h VAL 269 CO 0.03 0.05 -0.18 1.23 0.02 0.00 0.00 177.57 178.72 3hfy h GLY 270 N 0.27 0.42 2.00 2.17 0.00 -1.41 -2.10 103.07 104.42 3hfy h GLY 270 Ca 0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 3hfy h GLY 270 CO -0.12 0.28 -0.65 0.00 0.00 0.00 0.00 176.54 176.04 3hfy h ALA 271 N 1.46 0.76 -0.32 3.60 0.00 0.22 -2.72 119.26 122.25 3hfy h ALA 271 Ca 0.06 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3hfy h ALA 271 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hfy h ALA 271 CO 0.03 0.82 -0.24 0.28 0.00 0.00 0.00 179.25 180.15 3hfy h VAL 272 N 0.00 1.27 0.00 0.00 2.07 -0.25 -1.59 116.25 117.75 3hfy h VAL 272 Ca -0.01 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 3hfy h VAL 272 Cb 1.29 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3hfy h VAL 272 CO 0.09 0.43 -0.00 -0.33 0.02 0.00 0.00 177.57 177.77 3hfy h GLU 273 N 0.55 0.00 -0.44 1.57 5.08 -1.16 -2.07 114.58 118.11 3hfy h GLU 273 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hfy h GLU 273 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3hfy h GLU 273 CO 0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 3hfy n ARG 274 N -3.47 2.62 0.00 2.33 1.74 -0.71 -4.06 116.66 115.11 3hfy n ARG 274 Ca -0.03 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 3hfy n ARG 274 Cb 0.08 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3hfy n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hfy n GLY 275 N 0.95 1.08 3.81 -0.13 0.00 -0.78 -4.79 105.19 105.34 3hfy n GLY 275 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3hfy n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfy s ILE 276 N -2.00 4.42 -0.10 -0.61 -1.09 -0.68 -4.69 121.20 116.45 3hfy s ILE 276 Ca 0.00 1.45 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 3hfy s ILE 276 Cb 0.00 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 3hfy s ILE 276 CO 0.00 -0.12 0.15 0.47 -1.23 0.00 0.00 174.94 174.21 3hfy n ASP 277 N -0.14 2.40 -3.84 3.58 8.00 -0.24 -4.50 116.55 121.80 3hfy n ASP 277 Ca 0.04 -0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 3hfy n ASP 277 Cb 0.53 1.14 -0.11 0.00 -0.02 0.00 0.00 41.12 42.66 3hfy n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hfy s MET 278 N -2.01 0.32 0.02 -1.24 -1.94 -0.86 -0.37 119.30 113.22 3hfy s MET 278 Ca -0.00 -0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 53.85 3hfy s MET 278 Cb 0.04 0.14 -0.00 0.00 2.01 0.00 0.00 34.83 37.01 3hfy s MET 278 CO 0.21 -0.06 0.14 -0.06 -0.01 0.00 0.00 175.02 175.24 3hfy s PHE 279 N -0.57 0.10 -0.06 -0.03 0.40 -0.33 -0.67 117.98 116.81 3hfy s PHE 279 Ca -0.07 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 3hfy s PHE 279 Cb -0.04 -0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.43 3hfy s PHE 279 CO 0.01 -0.35 0.27 0.16 0.70 0.00 0.00 175.22 176.02 3hfy s ASP 280 N -1.80 -0.22 -0.28 1.36 -4.77 -1.16 -0.79 116.67 109.02 3hfy s ASP 280 Ca -0.09 0.30 -0.23 0.00 -3.30 0.00 0.00 52.55 49.23 3hfy s ASP 280 Cb -0.04 0.44 0.10 0.00 -1.09 0.00 0.00 42.92 42.33 3hfy s ASP 280 CO -0.02 -0.26 0.85 0.00 0.70 0.00 0.00 175.17 176.45 3hfy n VAL 282 N 2.85 0.35 -0.35 0.00 0.24 -1.26 -4.18 118.33 115.97 3hfy n VAL 282 Ca -0.15 0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 3hfy n VAL 282 Cb 0.56 -0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 3hfy n VAL 282 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hfy h LEU 283 N 0.00 -1.71 -0.26 1.34 3.38 -1.95 -1.48 115.31 114.62 3hfy h LEU 283 Ca 0.00 0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.29 3hfy h LEU 283 Cb 0.28 0.81 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3hfy h LEU 283 CO 0.00 -0.28 0.11 -0.65 0.09 0.00 0.00 178.44 177.71 3hfy h PRO 284 N -0.06 0.23 -0.02 1.13 0.11 -1.93 0.22 132.00 131.68 3hfy h PRO 284 Ca 0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hfy h PRO 284 Cb 0.52 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3hfy h PRO 284 CO -0.90 0.15 -0.01 1.15 -0.21 0.00 0.00 178.00 178.19 3hfy h THR 285 N 0.24 1.30 0.33 -1.15 2.02 -1.71 0.09 112.91 114.03 3hfy h THR 285 Ca 0.11 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 3hfy h THR 285 Cb 0.06 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3hfy h THR 285 CO -0.10 0.24 -0.16 0.03 0.37 0.00 0.00 175.52 175.90 3hfy h ARG 286 N -0.32 -0.43 -0.98 6.66 -0.00 -1.18 -1.46 114.38 116.68 3hfy h ARG 286 Ca 0.01 0.03 0.27 0.00 -0.50 0.00 0.00 59.98 59.78 3hfy h ARG 286 Cb 0.38 0.10 -0.14 0.00 0.00 0.00 0.00 29.97 30.32 3hfy h ARG 286 CO 0.00 -0.19 0.52 0.77 0.00 0.00 0.00 179.97 181.07 3hfy h SER 287 N -0.59 0.50 -0.26 7.04 0.02 -1.01 0.24 113.55 119.49 3hfy h SER 287 Ca -0.05 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3hfy h SER 287 Cb 0.43 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3hfy h SER 287 CO 0.07 -0.03 0.14 1.23 -1.14 0.00 0.00 176.83 177.11 3hfy h GLY 288 N 0.42 0.44 0.65 -3.77 0.00 -0.23 0.14 103.07 100.72 3hfy h GLY 288 Ca 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hfy h GLY 288 CO -0.55 0.18 -0.97 -0.96 0.00 0.00 0.00 176.54 174.24 3hfy n ARG 289 N -4.43 0.27 -1.14 4.80 1.85 0.68 -4.22 116.66 114.47 3hfy n ARG 289 Ca 0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.73 3hfy n ARG 289 Cb 0.12 -1.60 0.15 0.00 -1.05 0.00 0.00 32.46 30.08 3hfy n ARG 289 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3hfy n ASN 290 N -1.95 3.73 -0.04 2.89 6.94 -0.14 -4.94 115.26 121.74 3hfy n ASN 290 Ca 0.02 -3.77 -0.01 0.00 -0.02 0.00 0.00 54.58 50.80 3hfy n ASN 290 Cb 0.43 -0.65 -0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3hfy n ASN 290 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hfy n GLY 291 N -1.03 0.44 3.52 4.83 0.00 -1.13 -4.98 105.19 106.83 3hfy n GLY 291 Ca 0.42 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3hfy n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hfy s GLN 292 N -0.66 3.61 -0.06 1.61 0.74 0.44 -1.34 119.66 123.99 3hfy s GLN 292 Ca 0.00 -0.51 0.04 0.00 0.05 0.00 0.00 55.36 54.94 3hfy s GLN 292 Cb 0.00 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.19 3hfy s GLN 292 CO 0.00 0.29 -0.18 0.00 -0.55 0.00 0.00 175.29 174.84 3hfy s ALA 293 N 0.24 2.47 0.11 1.58 0.00 0.04 -3.82 121.76 122.39 3hfy s ALA 293 Ca -0.02 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 3hfy s ALA 293 Cb -0.14 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 3hfy s ALA 293 CO 0.03 0.46 0.75 -0.06 0.00 0.00 0.00 175.76 176.94 3hfy s PHE 294 N -0.39 3.84 0.16 0.00 0.08 -1.26 -0.03 117.98 120.38 3hfy s PHE 294 Ca 0.04 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.59 3hfy s PHE 294 Cb -0.12 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 3hfy s PHE 294 CO 0.02 0.44 0.15 0.95 -0.10 0.00 0.00 175.22 176.68 3hfy s THR 295 N -0.77 0.06 -0.95 0.64 -4.23 -1.13 -4.87 115.64 104.38 3hfy s THR 295 Ca 0.36 -1.80 0.18 0.00 -1.18 0.00 0.00 61.69 59.25 3hfy s THR 295 Cb -0.22 -2.14 0.16 0.00 1.34 0.00 0.00 72.50 71.64 3hfy s THR 295 CO 0.24 -0.27 1.59 0.79 -0.54 0.00 0.00 174.62 176.42 3hfy n TRP 296 N -0.18 0.09 -1.09 3.99 7.02 -1.26 -1.58 117.44 124.42 3hfy n TRP 296 Ca -0.04 0.03 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 3hfy n TRP 296 Cb 0.64 -0.55 0.29 0.00 -2.42 0.00 0.00 31.31 29.27 3hfy n TRP 296 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3hfy n ASP 297 N -1.58 4.39 0.00 -0.99 8.00 -1.26 -2.79 116.55 122.32 3hfy n ASP 297 Ca 0.04 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.28 3hfy n ASP 297 Cb 0.22 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3hfy n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfy n GLY 298 N -0.34 1.71 3.77 0.44 0.00 -0.62 -4.82 105.19 105.33 3hfy n GLY 298 Ca 0.36 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 3hfy n GLY 298 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hfy s PRO 299 N -2.67 3.71 0.06 1.61 0.04 -1.26 -2.86 135.00 133.63 3hfy s PRO 299 Ca 0.00 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.90 3hfy s PRO 299 Cb 0.00 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3hfy s PRO 299 CO 0.00 -0.60 -0.22 0.96 0.04 0.00 0.00 177.00 177.18 3hfy s ILE 300 N -1.55 1.77 -0.62 0.56 -4.36 0.95 -4.94 121.20 113.01 3hfy s ILE 300 Ca 0.65 -1.31 -0.18 0.00 -0.26 0.00 0.00 60.65 59.54 3hfy s ILE 300 Cb -0.29 -1.55 0.12 0.00 1.25 0.00 0.00 42.46 42.00 3hfy s ILE 300 CO 0.34 0.18 0.68 0.20 0.24 0.00 0.00 174.94 176.58 3hfy s ASN 301 N -1.36 6.26 0.59 4.36 0.01 -1.26 -0.78 114.94 122.76 3hfy s ASN 301 Ca 0.08 -1.66 0.37 0.00 -0.71 0.00 0.00 52.86 50.94 3hfy s ASN 301 Cb -0.09 -2.28 1.81 0.00 0.41 0.00 0.00 41.25 41.10 3hfy s ASN 301 CO 0.02 -1.01 2.15 -0.29 -1.51 0.00 0.00 177.10 176.47 3hfy h ILE 302 N 5.81 0.08 0.00 0.60 6.09 -1.60 -1.51 117.51 126.98 3hfy h ILE 302 Ca -0.24 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3hfy h ILE 302 Cb 1.08 1.29 0.00 0.00 0.47 0.00 0.00 36.82 39.66 3hfy h ILE 302 CO 1.06 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 176.70 3hfy n ARG 303 N -3.16 0.16 -1.99 2.19 1.74 -1.26 -4.53 116.66 109.81 3hfy n ARG 303 Ca -0.01 0.34 -0.40 0.00 -0.77 0.00 0.00 57.85 57.00 3hfy n ARG 303 Cb 0.20 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 3hfy n ARG 303 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hfy s ASN 304 N -3.97 6.48 0.60 0.55 3.84 -0.57 -4.89 114.94 116.98 3hfy s ASN 304 Ca 0.06 2.80 0.32 0.00 0.21 0.00 0.00 52.86 56.25 3hfy s ASN 304 Cb 0.10 -2.65 1.88 0.00 -0.55 0.00 0.00 41.25 40.03 3hfy s ASN 304 CO 0.40 -0.75 2.23 0.00 -2.79 0.00 0.00 177.10 176.20 3hfy h ALA 305 N 3.03 1.50 0.00 1.71 0.00 -1.90 -1.59 119.26 122.02 3hfy h ALA 305 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hfy h ALA 305 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hfy h ALA 305 CO 0.64 -0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.71 3hfy n ARG 306 N -3.70 0.03 0.00 0.00 1.85 -1.26 -1.48 116.66 112.09 3hfy n ARG 306 Ca -0.02 0.38 0.12 0.00 -1.00 0.00 0.00 57.85 57.33 3hfy n ARG 306 Cb 0.14 -1.57 0.19 0.00 -1.05 0.00 0.00 32.46 30.17 3hfy n ARG 306 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hfy n PHE 307 N -1.63 0.00 0.25 2.89 3.72 -0.60 -4.50 117.46 117.60 3hfy n PHE 307 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 3hfy n PHE 307 Cb 0.11 -0.01 0.61 0.00 -0.94 0.00 0.00 39.48 39.26 3hfy n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hfy h SER 308 N 3.73 0.00 0.00 4.37 4.64 -1.42 -2.60 113.55 122.28 3hfy h SER 308 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfy h SER 308 Cb 0.84 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hfy h SER 308 CO 0.00 0.03 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.33 3hfy n GLU 309 N -4.50 1.25 -2.82 4.77 1.02 -1.26 -4.69 120.64 114.40 3hfy n GLU 309 Ca -0.03 -2.39 -0.43 0.00 -0.02 0.00 0.00 57.16 54.29 3hfy n GLU 309 Cb 0.12 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 3hfy n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hfy s ASP 310 N -2.63 6.45 0.00 1.62 -1.08 -0.98 -4.92 116.67 115.13 3hfy s ASP 310 Ca 0.28 -0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.57 3hfy s ASP 310 Cb 0.24 -2.45 1.17 0.00 -1.46 0.00 0.00 42.92 40.42 3hfy s ASP 310 CO 0.03 -1.11 1.86 0.18 0.52 0.00 0.00 175.17 176.64 3hfy n LEU 311 N 7.29 0.14 -4.76 -1.34 4.77 -1.26 -0.70 117.00 121.14 3hfy n LEU 311 Ca 0.05 0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 3hfy n LEU 311 Cb 0.48 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3hfy n LEU 311 CO 0.64 0.03 0.84 -0.54 -1.33 0.00 0.00 177.39 177.04 3hfy s LYS 312 N -2.86 3.28 1.02 3.23 -0.14 -1.26 -4.52 119.74 118.48 3hfy s LYS 312 Ca 0.18 1.82 -0.12 0.00 -1.36 0.00 0.00 55.97 56.48 3hfy s LYS 312 Cb 0.19 -2.11 0.20 0.00 -1.68 0.00 0.00 37.83 34.43 3hfy s LYS 312 CO 0.54 -0.96 1.08 -1.25 -0.76 0.00 0.00 175.35 174.00 3hfy s PRO 313 N -3.11 0.28 0.23 -1.68 0.04 -1.26 0.14 135.00 129.65 3hfy s PRO 313 Ca 0.72 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 3hfy s PRO 313 Cb -0.30 -1.70 0.34 0.00 0.04 0.00 0.00 34.50 32.88 3hfy s PRO 313 CO 0.34 -2.88 1.62 -0.07 0.04 0.00 0.00 177.00 176.05 3hfy h LEU 314 N -2.01 -0.52 -7.69 -3.56 4.07 -1.88 -3.39 115.31 100.32 3hfy h LEU 314 Ca -0.55 0.20 -0.24 0.00 0.08 0.00 0.00 57.88 57.37 3hfy h LEU 314 Cb 1.32 0.39 -0.29 0.00 1.08 0.00 0.00 40.66 43.16 3hfy h LEU 314 CO 0.54 -0.21 -0.72 -0.62 -1.08 0.00 0.00 178.44 176.35 3hfy s ASP 315 N -5.22 0.02 0.38 -0.43 -1.08 -1.26 -4.90 116.67 104.18 3hfy s ASP 315 Ca -0.14 0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.07 3hfy s ASP 315 Cb 0.21 -0.01 0.72 0.00 -1.46 0.00 0.00 42.92 42.38 3hfy s ASP 315 CO 0.75 -0.02 1.77 0.28 0.52 0.00 0.00 175.17 178.46 3hfy h SER 316 N 6.36 0.00 0.14 -0.34 0.02 -1.98 -2.72 113.55 115.04 3hfy h SER 316 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3hfy h SER 316 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3hfy h SER 316 CO 0.50 0.38 -1.14 -1.84 -1.14 0.00 0.00 176.83 173.60 3hfy n GLU 317 N -3.69 0.18 -1.75 3.45 0.00 -1.26 -4.92 120.64 112.66 3hfy n GLU 317 Ca -0.01 -0.04 -0.42 0.00 0.00 0.00 0.00 57.16 56.70 3hfy n GLU 317 Cb 0.48 -1.53 -0.03 0.00 0.00 0.00 0.00 31.44 30.36 3hfy n GLU 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hfy n HIS 319 N 5.23 0.39 -1.49 0.00 -0.00 -1.26 -4.72 115.22 113.37 3hfy n HIS 319 Ca 0.17 -0.19 -0.32 0.00 -0.00 0.00 0.00 57.72 57.38 3hfy n HIS 319 Cb 0.38 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.43 3hfy n HIS 319 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hfy h ALA 321 N -0.69 0.50 0.19 0.00 0.00 -1.95 0.99 119.26 118.30 3hfy h ALA 321 Ca -0.44 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hfy h ALA 321 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3hfy h ALA 321 CO 0.54 -0.05 -0.40 0.28 0.00 0.00 0.00 179.25 179.61 3hfy h VAL 322 N 0.53 0.19 -0.68 0.00 2.07 -1.92 -1.78 116.25 114.65 3hfy h VAL 322 Ca 0.15 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.86 3hfy h VAL 322 Cb -0.06 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 3hfy h VAL 322 CO -0.04 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.04 3hfy h GLN 324 N 0.01 -0.43 0.06 0.00 -0.00 0.08 -3.38 115.11 111.45 3hfy h GLN 324 Ca 0.32 0.03 -0.33 0.00 -0.00 0.00 0.00 58.65 58.68 3hfy h GLN 324 Cb 1.29 0.10 -0.04 0.00 -0.00 0.00 0.00 27.48 28.83 3hfy h GLN 324 CO -0.01 -0.18 -1.87 0.36 -0.00 0.00 0.00 178.83 177.13 3hfy n LYS 325 N -5.21 0.69 -4.33 0.06 0.00 -0.53 -5.01 118.16 103.83 3hfy n LYS 325 Ca -0.10 0.27 -0.22 0.00 -0.00 0.00 0.00 58.31 58.26 3hfy n LYS 325 Cb 0.24 -1.75 -0.11 0.00 -0.00 0.00 0.00 35.03 33.41 3hfy n LYS 325 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3hfy s TRP 326 N -2.58 1.82 0.42 5.58 0.51 0.49 -5.12 118.94 120.07 3hfy s TRP 326 Ca -0.13 -0.47 -0.01 0.00 -2.12 0.00 0.00 56.10 53.37 3hfy s TRP 326 Cb 0.07 -0.91 -0.02 0.00 -0.81 0.00 0.00 33.47 31.80 3hfy s TRP 326 CO 0.80 0.33 0.65 -1.54 -0.51 0.00 0.00 176.95 176.67 3hfy s SER 327 N -2.64 6.08 0.30 2.95 1.04 -1.26 -4.29 113.70 115.88 3hfy s SER 327 Ca 0.15 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3hfy s SER 327 Cb -0.06 -1.86 0.51 0.00 0.10 0.00 0.00 66.02 64.72 3hfy s SER 327 CO 0.07 -0.53 1.93 0.03 0.98 0.00 0.00 173.24 175.71 3hfy h ARG 328 N 0.49 1.02 -0.82 4.02 3.08 -0.22 -2.38 114.38 119.56 3hfy h ARG 328 Ca -0.48 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 3hfy h ARG 328 Cb 1.23 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 3hfy h ARG 328 CO 0.60 0.67 0.46 0.00 -1.07 0.00 0.00 179.97 180.63 3hfy h ALA 329 N 1.50 1.05 -0.11 0.04 0.00 -0.92 0.18 119.26 121.00 3hfy h ALA 329 Ca 0.37 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 3hfy h ALA 329 Cb 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hfy h ALA 329 CO -0.13 0.55 -0.85 -0.92 0.00 0.00 0.00 179.25 177.91 3hfy h TYR 330 N 1.14 1.02 -0.53 0.00 3.20 -1.78 -2.34 116.97 117.68 3hfy h TYR 330 Ca 0.29 -0.48 -0.07 0.00 3.14 0.00 0.00 58.73 61.61 3hfy h TYR 330 Cb 0.02 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3hfy h TYR 330 CO 0.00 1.31 0.04 0.82 -1.64 0.00 0.00 178.16 178.69 3hfy h ILE 331 N 0.48 1.24 -0.39 1.81 2.04 -1.27 0.63 117.51 122.05 3hfy h ILE 331 Ca -0.07 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3hfy h ILE 331 Cb 1.48 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 3hfy h ILE 331 CO 0.17 0.35 -0.07 -0.74 0.00 0.00 0.00 178.15 177.87 3hfy h HIS 332 N 0.81 -0.15 0.25 1.37 2.76 -0.59 -1.62 115.15 117.97 3hfy h HIS 332 Ca 0.16 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3hfy h HIS 332 Cb 0.43 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 3hfy h HIS 332 CO 0.02 -0.14 -0.17 1.25 -1.30 0.00 0.00 177.93 177.59 3hfy h HIS 333 N 0.03 -0.44 -0.49 5.26 -0.00 -0.89 0.73 115.15 119.34 3hfy h HIS 333 Ca 0.19 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.65 3hfy h HIS 333 Cb 0.29 0.16 -0.10 0.00 -0.00 0.00 0.00 27.41 27.76 3hfy h HIS 333 CO -0.33 -0.26 -0.37 -0.07 -0.00 0.00 0.00 177.93 176.90 3hfy h LEU 334 N -0.41 -1.25 -0.55 0.26 4.07 -0.63 0.45 115.31 117.25 3hfy h LEU 334 Ca -0.02 0.22 -0.08 0.00 0.08 0.00 0.00 57.88 58.08 3hfy h LEU 334 Cb 0.36 0.58 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 3hfy h LEU 334 CO 0.01 -0.33 0.05 0.40 -1.08 0.00 0.00 178.44 177.49 3hfy h ILE 335 N -0.24 1.26 0.00 1.22 1.08 -1.12 -0.80 117.51 118.91 3hfy h ILE 335 Ca 0.18 -1.03 -0.05 0.00 -0.39 0.00 0.00 64.86 63.57 3hfy h ILE 335 Cb 0.56 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 3hfy h ILE 335 CO -0.61 0.37 -0.24 0.03 -0.69 0.00 0.00 178.15 177.01 3hfy h ARG 336 N 0.83 0.00 -0.04 2.37 2.47 0.04 -1.08 114.38 118.97 3hfy h ARG 336 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3hfy h ARG 336 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3hfy h ARG 336 CO 0.02 0.24 0.00 0.00 0.56 0.00 0.00 179.97 180.79 3hfy n ALA 337 N -2.40 2.60 -0.81 0.04 0.00 0.15 -4.88 120.51 115.21 3hfy n ALA 337 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3hfy n ALA 337 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hfy n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfy n GLY 338 N 1.03 0.41 3.68 0.00 0.00 -0.41 -4.97 105.19 104.93 3hfy n GLY 338 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3hfy n GLY 338 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hfy n GLU 339 N -1.71 1.96 -0.04 1.61 0.00 -0.40 -4.92 120.64 117.15 3hfy n GLU 339 Ca 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 57.16 57.71 3hfy n GLU 339 Cb 0.07 -2.23 -0.02 0.00 0.00 0.00 0.00 31.44 29.25 3hfy n GLU 339 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3hfy h ILE 340 N 2.41 1.29 -1.23 6.31 1.08 -1.93 -3.12 117.51 122.32 3hfy h ILE 340 Ca -0.45 -1.85 0.36 0.00 -0.39 0.00 0.00 64.86 62.53 3hfy h ILE 340 Cb 1.30 1.80 -0.09 0.00 -3.07 0.00 0.00 36.82 36.75 3hfy h ILE 340 CO 0.62 0.59 0.82 0.25 -0.69 0.00 0.00 178.15 179.74 3hfy h LEU 341 N 0.56 0.25 0.17 1.44 5.85 -1.94 -1.89 115.31 119.74 3hfy h LEU 341 Ca -0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3hfy h LEU 341 Cb 1.23 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3hfy h LEU 341 CO 0.13 -0.02 -0.08 1.23 -0.34 0.00 0.00 178.44 179.36 3hfy h GLY 342 N 0.18 -0.24 1.27 3.75 0.00 -1.83 -0.75 103.07 105.45 3hfy h GLY 342 Ca 0.68 0.09 0.05 0.00 0.00 0.00 0.00 47.33 48.15 3hfy h GLY 342 CO -0.25 -0.09 0.37 0.00 0.00 0.00 0.00 176.54 176.57 3hfy h ALA 343 N 0.24 1.81 -0.51 3.60 0.00 -1.51 -1.15 119.26 121.73 3hfy h ALA 343 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hfy h ALA 343 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hfy h ALA 343 CO 0.04 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.57 3hfy h MET 344 N 0.56 0.78 -0.24 0.00 3.00 -1.26 -0.41 114.93 117.36 3hfy h MET 344 Ca 0.24 -0.16 -0.15 0.00 0.00 0.00 0.00 59.70 59.62 3hfy h MET 344 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 31.60 31.69 3hfy h MET 344 CO -0.07 0.72 -0.47 -0.07 0.00 0.00 0.00 176.91 177.02 3hfy h LEU 345 N 0.69 0.69 -0.38 -0.10 4.07 -0.15 -1.36 115.31 118.76 3hfy h LEU 345 Ca 0.17 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 3hfy h LEU 345 Cb 0.25 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3hfy h LEU 345 CO -0.01 1.05 0.17 0.24 -1.08 0.00 0.00 178.44 178.81 3hfy h MET 346 N 0.51 0.56 -0.18 1.13 2.86 -1.12 0.18 114.93 118.87 3hfy h MET 346 Ca 0.03 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3hfy h MET 346 Cb 1.00 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 3hfy h MET 346 CO 0.09 0.52 -0.17 1.15 1.06 0.00 0.00 176.91 179.56 3hfy h THR 347 N 0.48 1.34 -0.47 2.22 2.02 -0.97 0.64 112.91 118.16 3hfy h THR 347 Ca 0.13 -1.33 0.07 0.00 0.77 0.00 0.00 66.41 66.05 3hfy h THR 347 Cb 0.15 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3hfy h THR 347 CO -0.01 0.40 0.14 -0.08 0.37 0.00 0.00 175.52 176.33 3hfy h GLU 348 N 0.08 0.28 -0.22 6.66 4.81 -1.20 0.17 114.58 125.16 3hfy h GLU 348 Ca 0.03 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3hfy h GLU 348 Cb 0.71 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3hfy h GLU 348 CO 0.04 0.19 0.05 1.25 -0.73 0.00 0.00 179.01 179.81 3hfy h HIS 349 N 0.29 0.09 -0.60 0.92 2.76 -0.35 -1.84 115.15 116.42 3hfy h HIS 349 Ca 0.23 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3hfy h HIS 349 Cb 0.27 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3hfy h HIS 349 CO -0.19 0.03 0.15 -0.91 -1.30 0.00 0.00 177.93 175.72 3hfy h ASN 350 N 0.14 0.90 -0.77 3.26 2.35 0.15 0.13 115.58 121.73 3hfy h ASN 350 Ca 0.10 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3hfy h ASN 350 Cb 0.09 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 3hfy h ASN 350 CO -0.12 0.89 0.48 0.40 -1.65 0.00 0.00 177.43 177.42 3hfy h ILE 351 N 0.86 1.07 -0.24 2.81 2.04 -0.56 -1.86 117.51 121.64 3hfy h ILE 351 Ca 0.19 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 3hfy h ILE 351 Cb 0.34 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hfy h ILE 351 CO 0.00 0.17 -0.48 0.00 0.00 0.00 0.00 178.15 177.83 3hfy h ALA 352 N 1.35 0.71 -0.04 1.87 0.00 -0.78 -2.53 119.26 119.83 3hfy h ALA 352 Ca 0.32 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hfy h ALA 352 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hfy h ALA 352 CO -0.14 0.67 -0.06 0.35 0.00 0.00 0.00 179.25 180.07 3hfy h PHE 353 N 0.51 -0.15 -0.88 0.00 3.57 -0.23 -0.69 116.94 119.07 3hfy h PHE 353 Ca 0.03 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3hfy h PHE 353 Cb 1.03 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 3hfy h PHE 353 CO 0.05 -0.10 0.51 1.88 -2.23 0.00 0.00 178.31 178.42 3hfy h TYR 354 N -0.09 0.93 -0.04 0.41 -1.99 -1.25 0.40 116.97 115.33 3hfy h TYR 354 Ca 0.04 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 3hfy h TYR 354 Cb 0.15 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 3hfy h TYR 354 CO -0.15 0.37 -0.50 1.96 -0.00 0.00 0.00 178.16 179.83 3hfy h GLN 355 N 0.84 0.10 -0.13 4.88 1.08 -1.01 -1.45 115.11 119.42 3hfy h GLN 355 Ca 0.43 -0.06 -0.16 0.00 -1.45 0.00 0.00 58.65 57.41 3hfy h GLN 355 Cb 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3hfy h GLN 355 CO -0.26 0.58 -0.60 1.96 -0.95 0.00 0.00 178.83 179.56 3hfy h GLN 356 N 0.08 0.44 0.17 1.46 7.50 0.01 -0.08 115.11 124.69 3hfy h GLN 356 Ca 0.00 -0.30 -0.01 0.00 0.50 0.00 0.00 58.65 58.84 3hfy h GLN 356 Cb 0.92 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.49 3hfy h GLN 356 CO 0.07 0.91 -0.08 1.25 -1.50 0.00 0.00 178.83 179.48 3hfy h LEU 357 N 0.33 -0.19 -1.23 1.46 5.85 -0.77 0.15 115.31 120.91 3hfy h LEU 357 Ca -0.00 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hfy h LEU 357 Cb 1.14 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3hfy h LEU 357 CO 0.11 -0.07 0.53 0.24 -0.34 0.00 0.00 178.44 178.90 3hfy h MET 358 N -0.30 1.01 -0.67 1.25 2.86 -1.12 0.41 114.93 118.37 3hfy h MET 358 Ca -0.02 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3hfy h MET 358 Cb 0.23 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3hfy h MET 358 CO 0.04 0.67 0.13 0.37 1.06 0.00 0.00 176.91 179.18 3hfy h GLN 359 N 1.04 1.09 -0.45 1.72 5.75 -0.55 0.67 115.11 124.38 3hfy h GLN 359 Ca 0.31 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3hfy h GLN 359 Cb -0.05 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 3hfy h GLN 359 CO -0.08 0.98 -0.01 0.87 -2.65 0.00 0.00 178.83 177.95 3hfy h LYS 360 N 1.03 0.74 -0.30 1.69 1.57 0.11 -1.83 116.57 119.58 3hfy h LYS 360 Ca 0.21 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3hfy h LYS 360 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hfy h LYS 360 CO 0.01 0.76 -0.27 0.82 -0.57 0.00 0.00 179.45 180.20 3hfy h ILE 361 N 0.69 1.30 -0.23 1.86 2.04 -0.41 -1.59 117.51 121.17 3hfy h ILE 361 Ca 0.14 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3hfy h ILE 361 Cb 0.44 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3hfy h ILE 361 CO 0.02 0.46 0.14 0.03 0.00 0.00 0.00 178.15 178.80 3hfy h ARG 362 N 0.48 0.32 -0.68 2.37 3.08 -0.69 -1.50 114.38 117.75 3hfy h ARG 362 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hfy h ARG 362 Cb 0.84 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3hfy h ARG 362 CO 0.07 0.25 0.25 -0.44 -1.07 0.00 0.00 179.97 179.03 3hfy h ASP 363 N 0.29 0.95 -0.36 7.04 3.32 -1.38 -0.42 116.42 125.86 3hfy h ASP 363 Ca 0.08 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3hfy h ASP 363 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3hfy h ASP 363 CO -0.02 0.88 -0.06 0.77 -1.72 0.00 0.00 179.24 179.09 3hfy h SER 364 N 0.97 0.67 -0.11 6.45 4.64 -1.08 -1.05 113.55 124.05 3hfy h SER 364 Ca 0.22 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hfy h SER 364 Cb 0.24 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hfy h SER 364 CO -0.01 0.86 0.06 0.40 -0.87 0.00 0.00 176.83 177.26 3hfy h ILE 365 N 0.47 1.09 -0.12 0.95 2.04 -1.19 0.61 117.51 121.36 3hfy h ILE 365 Ca 0.09 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3hfy h ILE 365 Cb 0.55 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3hfy h ILE 365 CO 0.03 0.08 0.18 -1.28 0.00 0.00 0.00 178.15 177.16 3hfy h SER 366 N 0.07 0.00 -0.16 1.72 0.87 -0.78 -0.65 113.55 114.61 3hfy h SER 366 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3hfy h SER 366 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3hfy h SER 366 CO -0.01 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.67 3hfy n GLU 367 N -3.53 2.33 -1.73 2.24 1.02 -0.42 -4.96 120.64 115.59 3hfy n GLU 367 Ca 0.00 -2.04 -0.09 0.00 -0.02 0.00 0.00 57.16 55.01 3hfy n GLU 367 Cb 0.28 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 3hfy n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hfy n GLY 368 N 1.37 0.51 0.48 0.62 0.00 -0.25 -4.92 105.19 103.00 3hfy n GLY 368 Ca 0.16 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3hfy n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hfy n ARG 369 N -2.28 0.70 -0.12 1.61 1.85 0.15 -4.79 116.66 113.78 3hfy n ARG 369 Ca -0.10 -2.04 -0.08 0.00 -1.00 0.00 0.00 57.85 54.64 3hfy n ARG 369 Cb 0.44 -0.97 0.08 0.00 -1.05 0.00 0.00 32.46 30.97 3hfy n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3hfy h PHE 370 N 0.26 0.94 -0.81 2.89 3.57 -1.78 -1.44 116.94 120.58 3hfy h PHE 370 Ca -0.03 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.33 3hfy h PHE 370 Cb 1.26 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 3hfy h PHE 370 CO 0.16 0.94 0.49 1.03 -2.23 0.00 0.00 178.31 178.70 3hfy h SER 371 N 0.75 0.77 0.40 0.41 0.87 -1.89 -0.31 113.55 114.55 3hfy h SER 371 Ca 0.11 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3hfy h SER 371 Cb 0.67 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hfy h SER 371 CO 0.05 0.50 -0.19 -0.61 -0.53 0.00 0.00 176.83 176.04 3hfy h GLN 372 N 0.90 -0.52 -0.69 2.24 5.75 -1.84 -2.88 115.11 118.08 3hfy h GLN 372 Ca 0.35 0.04 0.14 0.00 -0.15 0.00 0.00 58.65 59.03 3hfy h GLN 372 Cb 0.16 0.12 -0.13 0.00 1.07 0.00 0.00 27.48 28.70 3hfy h GLN 372 CO -0.17 -0.23 -0.15 0.35 -2.65 0.00 0.00 178.83 175.98 3hfy h PHE 373 N -0.78 -0.32 -0.45 3.99 3.57 -1.04 0.18 116.94 122.10 3hfy h PHE 373 Ca -0.05 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3hfy h PHE 373 Cb 0.53 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3hfy h PHE 373 CO 0.00 -0.29 0.25 0.00 -2.23 0.00 0.00 178.31 176.05 3hfy h ALA 374 N 1.68 0.57 -0.34 2.41 0.00 -1.06 1.20 119.26 123.72 3hfy h ALA 374 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3hfy h ALA 374 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hfy h ALA 374 CO -0.70 -0.08 0.03 0.37 0.00 0.00 0.00 179.25 178.87 3hfy h GLN 375 N 0.50 0.59 -0.36 0.00 4.15 -0.99 -1.86 115.11 117.15 3hfy h GLN 375 Ca 0.19 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3hfy h GLN 375 Cb 0.05 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3hfy h GLN 375 CO -0.10 0.69 0.02 -0.44 -1.93 0.00 0.00 178.83 177.07 3hfy h ASP 376 N 0.41 0.51 -0.03 -0.69 3.32 -0.07 -2.57 116.42 117.31 3hfy h ASP 376 Ca 0.10 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hfy h ASP 376 Cb 0.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3hfy h ASP 376 CO 0.01 0.57 -0.05 0.15 -1.72 0.00 0.00 179.24 178.20 3hfy h PHE 377 N 0.53 -0.13 -0.23 4.55 3.57 0.21 -2.92 116.94 122.52 3hfy h PHE 377 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hfy h PHE 377 Cb 0.31 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3hfy h PHE 377 CO 0.01 -0.08 0.14 0.00 -2.23 0.00 0.00 178.31 176.15 3hfy h ARG 378 N -0.08 0.32 -0.65 1.11 3.08 -1.20 0.16 114.38 117.13 3hfy h ARG 378 Ca 0.03 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.19 3hfy h ARG 378 Cb 0.12 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 3hfy h ARG 378 CO -0.08 0.26 0.08 0.00 -1.07 0.00 0.00 179.97 179.17 3hfy h ALA 379 N 1.04 0.73 0.08 0.04 0.00 -1.37 0.11 119.26 119.89 3hfy h ALA 379 Ca 0.08 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3hfy h ALA 379 Cb 0.03 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hfy h ALA 379 CO -0.02 -0.36 -0.46 -0.09 0.00 0.00 0.00 179.25 178.33 3hfy h ARG 380 N 0.19 0.17 -0.99 0.00 2.43 -1.37 -3.32 114.38 111.50 3hfy h ARG 380 Ca 0.35 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3hfy h ARG 380 Cb 0.56 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 3hfy h ARG 380 CO -0.49 1.14 0.64 -0.92 -1.51 0.00 0.00 179.97 178.82 3hfy h TYR 381 N -0.64 1.19 -0.02 2.20 3.20 -0.43 -3.41 116.97 119.06 3hfy h TYR 381 Ca -0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hfy h TYR 381 Cb 1.36 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3hfy h TYR 381 CO 0.23 0.64 0.00 1.19 -1.64 0.00 0.00 178.16 178.58