#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1w s LEU 2 N 0.00 2.91 -0.21 4.03 2.96 0.30 -1.88 118.68 126.79 3f1w s LEU 2 Ca 0.00 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3f1w s LEU 2 Cb 0.00 -1.66 0.10 0.00 0.50 0.00 0.00 46.19 45.13 3f1w s LEU 2 CO 0.00 0.21 0.24 -0.70 -1.32 0.00 0.00 176.35 174.78 3f1w s GLU 3 N 0.10 0.21 -0.14 1.98 2.12 0.22 -1.21 118.70 121.96 3f1w s GLU 3 Ca -0.04 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.54 3f1w s GLU 3 Cb -0.14 -1.13 0.02 0.00 0.26 0.00 0.00 34.13 33.14 3f1w s GLU 3 CO 0.04 -0.66 -0.19 0.00 -0.54 0.00 0.00 175.26 173.91 3f1w s ALA 4 N 2.35 2.07 -0.26 6.30 0.00 0.30 0.19 121.76 132.72 3f1w s ALA 4 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3f1w s ALA 4 Cb -0.16 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.00 3f1w s ALA 4 CO -0.13 -0.17 -0.07 0.21 0.00 0.00 0.00 175.76 175.60 3f1w s LYS 5 N 1.07 2.49 0.11 0.00 2.20 0.25 0.25 119.74 126.11 3f1w s LYS 5 Ca -0.02 -1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 54.09 3f1w s LYS 5 Cb -0.14 -2.98 -0.06 0.00 -1.51 0.00 0.00 37.83 33.14 3f1w s LYS 5 CO -0.06 -0.52 1.01 -0.06 -0.36 0.00 0.00 175.35 175.36 3f1w s PHE 6 N 1.22 3.73 0.33 4.03 0.08 0.28 -0.64 117.98 127.01 3f1w s PHE 6 Ca -0.05 1.72 0.02 0.00 0.12 0.00 0.00 56.93 58.74 3f1w s PHE 6 Cb -0.19 -3.13 0.58 0.00 -0.57 0.00 0.00 43.02 39.71 3f1w s PHE 6 CO -0.04 -0.07 1.96 1.49 -0.10 0.00 0.00 175.22 178.46 3f1w h GLU 7 N 5.69 0.81 -3.51 0.44 4.81 -1.86 -2.19 114.58 118.77 3f1w h GLU 7 Ca -0.43 -0.08 -0.29 0.00 -0.13 0.00 0.00 59.36 58.43 3f1w h GLU 7 Cb 1.21 -0.17 -0.33 0.00 0.63 0.00 0.00 28.75 30.09 3f1w h GLU 7 CO 0.73 0.60 -0.72 -1.21 -0.73 0.00 0.00 179.01 177.68 3f1w s GLU 8 N -5.56 -0.02 0.58 1.92 2.02 -1.26 -3.96 118.70 112.42 3f1w s GLU 8 Ca -0.10 0.19 0.32 0.00 0.02 0.00 0.00 54.97 55.41 3f1w s GLU 8 Cb 0.17 -0.22 1.81 0.00 0.10 0.00 0.00 34.13 35.99 3f1w s GLU 8 CO 0.77 -0.16 2.21 0.00 0.02 0.00 0.00 175.26 178.10 3f1w h ALA 9 N 7.19 1.30 -0.94 5.21 0.00 0.05 -2.59 119.26 129.48 3f1w h ALA 9 Ca -0.44 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 54.62 3f1w h ALA 9 Cb 1.13 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 3f1w h ALA 9 CO 0.48 0.05 0.60 0.66 0.00 0.00 0.00 179.25 181.04 3f1w h SER 10 N 0.00 0.59 0.34 0.00 4.64 -1.70 -1.36 113.55 116.06 3f1w h SER 10 Ca -0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3f1w h SER 10 Cb 0.14 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3f1w h SER 10 CO 0.01 0.24 -0.20 0.25 -0.87 0.00 0.00 176.83 176.26 3f1w h LEU 11 N 0.59 -0.49 -0.24 5.97 5.85 -1.76 0.13 115.31 125.36 3f1w h LEU 11 Ca 0.50 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 3f1w h LEU 11 Cb 0.99 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3f1w h LEU 11 CO -0.25 -0.32 0.10 0.15 -0.34 0.00 0.00 178.44 177.78 3f1w h PHE 12 N -0.51 0.37 -0.64 1.25 3.57 -1.61 -0.95 116.94 118.43 3f1w h PHE 12 Ca -0.04 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.56 3f1w h PHE 12 Cb 0.41 -0.11 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 3f1w h PHE 12 CO -0.08 0.39 -0.16 0.87 -2.23 0.00 0.00 178.31 177.10 3f1w h LYS 13 N 0.24 -0.00 -0.38 1.11 1.57 -1.09 0.11 116.57 118.13 3f1w h LYS 13 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 3f1w h LYS 13 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3f1w h LYS 13 CO -0.01 -0.00 -0.37 0.00 -0.57 0.00 0.00 179.45 178.50 3f1w h ARG 14 N -0.00 0.90 0.01 3.15 3.08 -0.44 -0.75 114.38 120.33 3f1w h ARG 14 Ca 0.30 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3f1w h ARG 14 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3f1w h ARG 14 CO -0.66 1.11 -0.09 0.82 -1.07 0.00 0.00 179.97 180.09 3f1w h ILE 15 N 0.74 0.77 0.00 2.04 2.04 -0.59 -1.96 117.51 120.55 3f1w h ILE 15 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3f1w h ILE 15 Cb 0.95 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3f1w h ILE 15 CO 0.09 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 178.56 3f1w h ILE 16 N -0.16 0.95 -0.30 -0.67 1.08 -0.58 -1.64 117.51 116.18 3f1w h ILE 16 Ca 0.03 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3f1w h ILE 16 Cb 0.20 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3f1w h ILE 16 CO -0.08 0.08 0.10 0.44 -0.69 0.00 0.00 178.15 178.00 3f1w h ASP 17 N 0.00 0.43 0.00 1.72 3.32 -0.51 -2.09 116.42 119.29 3f1w h ASP 17 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3f1w h ASP 17 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3f1w h ASP 17 CO 0.01 0.51 0.06 0.61 -1.72 0.00 0.00 179.24 178.71 3f1w n GLY 18 N -0.65 -0.58 0.08 2.75 0.00 -0.62 -2.02 105.19 104.14 3f1w n GLY 18 Ca -0.02 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3f1w n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f1w n PHE 19 N -1.73 0.00 0.23 1.61 3.01 -0.95 -4.74 117.46 114.89 3f1w n PHE 19 Ca -0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 3f1w n PHE 19 Cb 0.07 -0.65 0.49 0.00 -0.01 0.00 0.00 39.48 39.38 3f1w n PHE 19 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3f1w h LYS 20 N 0.00 0.00 -0.00 -1.08 2.10 -0.77 -0.54 116.57 116.28 3f1w h LYS 20 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3f1w h LYS 20 Cb 1.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 3f1w h LYS 20 CO -0.02 0.21 -0.08 -0.25 -2.00 0.00 0.00 179.45 177.31 3f1w n ASP 21 N -3.41 0.20 -0.03 7.07 8.00 -1.25 -3.87 116.55 123.26 3f1w n ASP 21 Ca -0.00 -0.19 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 3f1w n ASP 21 Cb 0.41 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3f1w n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f1w s VAL 23 N -2.12 0.01 -0.12 0.00 1.01 -0.54 -4.23 120.40 114.42 3f1w s VAL 23 Ca -0.04 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.12 3f1w s VAL 23 Cb 0.02 -1.79 -0.13 0.00 0.00 0.00 0.00 36.38 34.47 3f1w s VAL 23 CO 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 175.10 175.25 3f1w n GLN 24 N -0.39 1.86 -3.97 2.72 6.02 -1.26 -4.27 117.38 118.08 3f1w n GLN 24 Ca -0.07 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.58 3f1w n GLN 24 Cb 0.61 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 30.43 3f1w n GLN 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3f1w s LEU 25 N -5.00 2.94 -0.02 1.08 1.43 -1.26 0.43 118.68 118.28 3f1w s LEU 25 Ca -0.08 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 3f1w s LEU 25 Cb 0.04 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3f1w s LEU 25 CO 0.45 -0.08 -0.06 -0.69 0.23 0.00 0.00 176.35 176.20 3f1w s VAL 26 N 1.36 0.51 -0.09 -1.59 1.01 -0.88 -4.97 120.40 115.74 3f1w s VAL 26 Ca 0.02 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 3f1w s VAL 26 Cb -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3f1w s VAL 26 CO -0.06 0.17 0.50 0.20 0.00 0.00 0.00 175.10 175.92 3f1w s ASN 27 N 0.24 6.75 -0.36 3.32 0.01 -1.26 -1.36 114.94 122.28 3f1w s ASN 27 Ca -0.03 0.89 -0.05 0.00 -0.71 0.00 0.00 52.86 52.96 3f1w s ASN 27 Cb -0.07 -2.30 0.06 0.00 0.41 0.00 0.00 41.25 39.35 3f1w s ASN 27 CO -0.00 0.02 0.12 -0.36 -1.51 0.00 0.00 177.10 175.38 3f1w s PHE 28 N 0.44 3.34 -0.34 2.20 0.40 -0.41 -3.99 117.98 119.63 3f1w s PHE 28 Ca 0.27 -1.75 -0.23 0.00 -0.60 0.00 0.00 56.93 54.62 3f1w s PHE 28 Cb -0.16 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.84 3f1w s PHE 28 CO 0.12 -0.82 0.79 -0.65 0.70 0.00 0.00 175.22 175.36 3f1w s GLN 29 N 1.32 3.85 -0.16 0.44 -0.21 -0.11 -0.01 119.66 124.77 3f1w s GLN 29 Ca 0.00 0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.75 3f1w s GLN 29 Cb -0.21 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 29.99 3f1w s GLN 29 CO 0.00 -0.77 0.07 0.00 -2.12 0.00 0.00 175.29 172.47 3f1w n LYS 31 N 3.10 0.13 0.22 0.00 5.02 0.71 -1.49 118.16 125.84 3f1w n LYS 31 Ca -0.17 -0.94 0.06 0.00 -2.02 0.00 0.00 58.31 55.24 3f1w n LYS 31 Cb 0.53 0.78 0.51 0.00 -0.02 0.00 0.00 35.03 36.83 3f1w n LYS 31 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3f1w h GLU 32 N 0.00 0.00 -0.69 1.97 3.07 -1.93 -2.08 114.58 114.92 3f1w h GLU 32 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3f1w h GLU 32 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3f1w h GLU 32 CO 0.10 0.22 0.00 -0.40 -1.40 0.00 0.00 179.01 177.53 3f1w n ASP 33 N -4.11 4.05 0.00 1.42 5.75 -1.26 -4.77 116.55 117.64 3f1w n ASP 33 Ca -0.02 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 3f1w n ASP 33 Cb 0.29 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3f1w n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f1w n GLY 34 N 1.47 0.50 3.30 6.12 0.00 -0.78 -3.46 105.19 112.34 3f1w n GLY 34 Ca 0.24 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3f1w n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1w s ILE 35 N -0.33 2.16 0.15 -0.61 1.01 -0.95 -0.21 121.20 122.42 3f1w s ILE 35 Ca 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 59.69 3f1w s ILE 35 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3f1w s ILE 35 CO 0.00 0.57 -0.17 0.27 0.00 0.00 0.00 174.94 175.61 3f1w s ILE 36 N -0.29 1.68 -0.12 2.92 -4.36 -0.12 -0.93 121.20 119.98 3f1w s ILE 36 Ca 0.00 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.45 3f1w s ILE 36 Cb -0.13 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.87 3f1w s ILE 36 CO 0.02 -0.35 0.30 0.00 0.24 0.00 0.00 174.94 175.16 3f1w s ALA 37 N -2.08 -0.73 -0.01 2.27 0.00 -0.43 -0.94 121.76 119.84 3f1w s ALA 37 Ca 0.14 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3f1w s ALA 37 Cb -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3f1w s ALA 37 CO 0.06 -0.19 -0.11 -1.14 0.00 0.00 0.00 175.76 174.37 3f1w s GLN 38 N 0.82 0.96 -0.09 0.00 0.74 -1.26 -0.70 119.66 120.14 3f1w s GLN 38 Ca -0.05 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 54.75 3f1w s GLN 38 Cb -0.06 -0.92 0.04 0.00 1.10 0.00 0.00 33.01 33.17 3f1w s GLN 38 CO -0.06 0.23 0.47 0.00 -0.55 0.00 0.00 175.29 175.39 3f1w s ALA 39 N -0.21 -1.20 0.15 1.58 0.00 -0.56 -4.51 121.76 117.00 3f1w s ALA 39 Ca 0.03 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.09 3f1w s ALA 39 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3f1w s ALA 39 CO -0.00 -0.28 -0.19 0.08 0.00 0.00 0.00 175.76 175.37 3f1w s VAL 40 N -0.66 2.71 1.03 0.00 1.01 -1.26 -0.08 120.40 123.15 3f1w s VAL 40 Ca -0.07 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.04 3f1w s VAL 40 Cb -0.03 -2.27 0.21 0.00 0.00 0.00 0.00 36.38 34.29 3f1w s VAL 40 CO 0.04 0.01 1.22 1.51 0.00 0.00 0.00 175.10 177.88 3f1w s ASP 41 N -2.39 2.52 0.13 3.32 -4.77 -0.74 -4.76 116.67 109.98 3f1w s ASP 41 Ca 0.19 0.51 -0.05 0.00 -3.30 0.00 0.00 52.55 49.90 3f1w s ASP 41 Cb -0.09 -0.72 -0.09 0.00 -1.09 0.00 0.00 42.92 40.93 3f1w s ASP 41 CO 0.10 -3.12 1.31 0.44 0.70 0.00 0.00 175.17 174.60 3f1w h ASP 42 N -1.90 0.58 0.92 2.11 3.32 -1.92 -2.75 116.42 116.78 3f1w h ASP 42 Ca -0.46 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.14 3f1w h ASP 42 Cb 1.27 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 3f1w h ASP 42 CO 0.42 1.24 -0.03 0.77 -1.72 0.00 0.00 179.24 179.92 3f1w h SER 43 N 0.27 0.00 -5.17 6.45 4.64 -1.96 -3.47 113.55 114.31 3f1w h SER 43 Ca -0.08 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.92 3f1w h SER 43 Cb 1.54 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.76 3f1w h SER 43 CO 0.16 0.03 -0.61 0.54 -0.87 0.00 0.00 176.83 176.08 3f1w n ARG 44 N -3.14 -6.56 -0.00 4.77 1.74 -1.04 -4.90 116.66 107.52 3f1w n ARG 44 Ca 0.00 0.72 0.08 0.00 -0.77 0.00 0.00 57.85 57.88 3f1w n ARG 44 Cb 0.30 -5.42 -0.12 0.00 -1.02 0.00 0.00 32.46 26.21 3f1w n ARG 44 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3f1w n VAL 45 N -4.39 0.00 -4.11 1.55 0.24 -1.26 -4.93 118.33 105.43 3f1w n VAL 45 Ca -0.07 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.73 3f1w n VAL 45 Cb 0.58 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.26 3f1w n VAL 45 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3f1w s LEU 46 N -3.60 1.21 -0.12 1.34 2.96 -1.26 0.07 118.68 119.29 3f1w s LEU 46 Ca -0.01 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3f1w s LEU 46 Cb 0.11 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 46.17 3f1w s LEU 46 CO 0.69 -0.08 -0.23 -0.22 -1.32 0.00 0.00 176.35 175.19 3f1w s LEU 47 N 1.29 2.10 -0.21 -0.68 2.96 -0.09 -1.79 118.68 122.25 3f1w s LEU 47 Ca -0.04 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 3f1w s LEU 47 Cb -0.14 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3f1w s LEU 47 CO -0.02 0.12 0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 3f1w s VAL 48 N 0.56 4.29 -0.11 1.68 1.01 0.89 -0.28 120.40 128.43 3f1w s VAL 48 Ca -0.13 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3f1w s VAL 48 Cb -0.17 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3f1w s VAL 48 CO 0.04 0.40 -0.22 -0.55 0.00 0.00 0.00 175.10 174.77 3f1w s SER 49 N 1.08 2.95 0.00 3.32 0.15 -0.03 -1.50 113.70 119.67 3f1w s SER 49 Ca 0.03 -0.55 0.08 0.00 0.70 0.00 0.00 55.95 56.22 3f1w s SER 49 Cb -0.14 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.79 3f1w s SER 49 CO 0.03 0.11 -0.26 -0.22 1.20 0.00 0.00 173.24 174.09 3f1w s LEU 50 N 0.61 2.09 -0.04 3.45 2.96 0.12 0.26 118.68 128.13 3f1w s LEU 50 Ca -0.13 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3f1w s LEU 50 Cb -0.17 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.25 3f1w s LEU 50 CO 0.03 0.30 0.06 -0.70 -1.32 0.00 0.00 176.35 174.72 3f1w s GLU 51 N -0.81 -0.07 -0.32 1.98 2.12 -0.67 -1.31 118.70 119.63 3f1w s GLU 51 Ca 0.10 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.77 3f1w s GLU 51 Cb -0.10 -0.48 0.04 0.00 0.26 0.00 0.00 34.13 33.85 3f1w s GLU 51 CO -0.00 -0.32 0.04 0.42 -0.54 0.00 0.00 175.26 174.86 3f1w s ILE 52 N 2.10 3.33 0.95 -3.70 1.01 -0.10 -1.00 121.20 123.79 3f1w s ILE 52 Ca 0.04 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 3f1w s ILE 52 Cb -0.12 -2.90 0.16 0.00 0.01 0.00 0.00 42.46 39.61 3f1w s ILE 52 CO -0.03 -0.13 1.09 -0.83 0.00 0.00 0.00 174.94 175.04 3f1w s GLY 53 N 1.32 1.60 0.14 6.18 0.00 0.99 -2.24 107.32 115.31 3f1w s GLY 53 Ca -0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 3f1w s GLY 53 CO 0.01 0.47 1.69 -2.08 0.00 0.00 0.00 173.10 173.18 3f1w h VAL 54 N -1.79 1.21 0.00 1.40 2.07 -1.86 -2.21 116.25 115.07 3f1w h VAL 54 Ca -0.51 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3f1w h VAL 54 Cb 1.30 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3f1w h VAL 54 CO 0.53 0.24 0.00 1.21 0.02 0.00 0.00 177.57 179.57 3f1w n GLU 55 N -4.60 0.19 0.18 1.57 2.13 -1.26 -2.08 120.64 116.77 3f1w n GLU 55 Ca 0.01 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.11 3f1w n GLU 55 Cb 0.16 -1.50 0.12 0.00 0.27 0.00 0.00 31.44 30.48 3f1w n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3f1w h ALA 56 N 2.59 0.85 -2.38 4.31 0.00 -1.67 -3.45 119.26 119.50 3f1w h ALA 56 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3f1w h ALA 56 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3f1w h ALA 56 CO 0.00 0.00 -0.08 -0.06 0.00 0.00 0.00 179.25 179.11 3f1w s PHE 57 N -3.26 3.48 0.08 0.00 0.08 -0.88 -4.77 117.98 112.71 3f1w s PHE 57 Ca 0.05 0.71 -0.21 0.00 0.12 0.00 0.00 56.93 57.60 3f1w s PHE 57 Cb 0.06 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.24 3f1w s PHE 57 CO 0.71 0.08 1.58 0.37 -0.10 0.00 0.00 175.22 177.86 3f1w h GLN 58 N 1.42 0.25 -3.66 0.44 4.15 -1.18 -3.45 115.11 113.09 3f1w h GLN 58 Ca -0.48 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 58.67 3f1w h GLN 58 Cb 1.19 -0.04 -0.28 0.00 0.21 0.00 0.00 27.48 28.57 3f1w h GLN 58 CO 0.65 0.38 -0.68 -2.00 -1.93 0.00 0.00 178.83 175.25 3f1w s GLU 59 N -5.37 0.04 -0.10 1.69 2.12 -0.86 -5.01 118.70 111.22 3f1w s GLU 59 Ca -0.14 0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 3f1w s GLU 59 Cb 0.06 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.53 3f1w s GLU 59 CO 0.71 -0.01 0.19 -0.47 -0.54 0.00 0.00 175.26 175.14 3f1w s TYR 60 N -0.01 -0.26 -0.16 5.30 5.04 -1.26 0.88 117.35 126.87 3f1w s TYR 60 Ca -0.00 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 3f1w s TYR 60 Cb -0.00 -0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.20 3f1w s TYR 60 CO 0.00 -0.28 0.01 0.50 -1.34 0.00 0.00 175.55 174.44 3f1w s ARG 61 N 2.13 0.79 -0.24 4.97 3.52 0.51 -4.99 118.95 125.64 3f1w s ARG 61 Ca 0.00 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3f1w s ARG 61 Cb -0.12 -1.83 0.06 0.00 -1.56 0.00 0.00 34.95 31.50 3f1w s ARG 61 CO -0.07 -0.52 -0.05 0.00 -0.81 0.00 0.00 175.30 173.85 3f1w h ASP 63 N 7.96 0.24 -5.02 0.00 3.32 -1.74 -3.37 116.42 117.83 3f1w h ASP 63 Ca -0.18 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 3f1w h ASP 63 Cb 1.07 -0.06 -0.18 0.00 0.22 0.00 0.00 39.33 40.38 3f1w h ASP 63 CO 0.41 0.39 -0.18 -1.38 -1.72 0.00 0.00 179.24 176.76 3f1w s HIS 64 N -5.36 -0.23 0.16 4.55 -3.43 -1.26 -4.94 115.29 104.78 3f1w s HIS 64 Ca -0.14 0.27 -0.32 0.00 -0.80 0.00 0.00 55.06 54.07 3f1w s HIS 64 Cb 0.07 0.16 -0.17 0.00 -1.43 0.00 0.00 32.58 31.21 3f1w s HIS 64 CO 0.71 -0.48 0.94 -2.30 -2.00 0.00 0.00 174.74 171.61 3f1w n PRO 65 N 0.88 0.64 -3.74 -0.38 -0.02 -1.26 -4.87 135.00 126.26 3f1w n PRO 65 Ca -0.20 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 3f1w n PRO 65 Cb 0.58 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.38 3f1w n PRO 65 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f1w s VAL 66 N -0.49 -0.01 -0.18 -1.45 0.11 -0.56 -5.01 120.40 112.82 3f1w s VAL 66 Ca 0.72 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.70 3f1w s VAL 66 Cb -0.93 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.34 3f1w s VAL 66 CO 0.55 0.01 0.13 -0.89 -3.33 0.00 0.00 175.10 171.57 3f1w s THR 67 N 0.42 5.41 -0.58 5.04 2.01 -1.26 -0.96 115.64 125.71 3f1w s THR 67 Ca -0.02 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 3f1w s THR 67 Cb -0.04 -3.44 0.15 0.00 0.01 0.00 0.00 72.50 69.19 3f1w s THR 67 CO -0.02 0.49 0.40 -0.76 -0.69 0.00 0.00 174.62 174.04 3f1w s LEU 68 N -0.01 5.34 -0.14 4.42 1.43 0.98 -4.92 118.68 125.78 3f1w s LEU 68 Ca 0.10 -2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 50.30 3f1w s LEU 68 Cb -0.11 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3f1w s LEU 68 CO -0.00 -0.44 1.07 -0.83 0.23 0.00 0.00 176.35 176.38 3f1w s GLY 69 N 1.14 2.07 0.05 -3.19 0.00 -1.26 -1.28 107.32 104.85 3f1w s GLY 69 Ca 0.14 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.26 3f1w s GLY 69 CO -0.04 2.09 -0.09 1.06 0.00 0.00 0.00 173.10 176.13 3f1w s MET 70 N 2.50 0.58 -0.30 2.90 -1.94 -0.47 -0.71 119.30 121.86 3f1w s MET 70 Ca 0.49 -0.79 -0.23 0.00 -1.71 0.00 0.00 55.69 53.45 3f1w s MET 70 Cb -0.19 -0.39 -0.00 0.00 2.01 0.00 0.00 34.83 36.27 3f1w s MET 70 CO 0.15 0.07 0.78 0.34 -0.01 0.00 0.00 175.02 176.36 3f1w s ASP 71 N -1.59 6.66 0.28 3.03 -1.08 -1.26 -2.08 116.67 120.63 3f1w s ASP 71 Ca -0.08 0.67 -0.02 0.00 -0.52 0.00 0.00 52.55 52.60 3f1w s ASP 71 Cb -0.10 -2.40 0.39 0.00 -1.46 0.00 0.00 42.92 39.34 3f1w s ASP 71 CO 0.01 -0.60 1.84 -0.07 0.52 0.00 0.00 175.17 176.86 3f1w h LEU 72 N 9.43 0.81 0.14 -1.34 4.07 -0.34 0.71 115.31 128.80 3f1w h LEU 72 Ca -0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 3f1w h LEU 72 Cb 1.10 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3f1w h LEU 72 CO 0.88 0.77 -0.07 0.71 -1.08 0.00 0.00 178.44 179.65 3f1w h THR 73 N 0.86 0.93 -0.80 0.22 1.35 -1.91 -0.29 112.91 113.26 3f1w h THR 73 Ca 0.19 -0.30 0.09 0.00 -0.55 0.00 0.00 66.41 65.84 3f1w h THR 73 Cb 0.24 1.12 -0.07 0.00 -1.73 0.00 0.00 68.15 67.71 3f1w h THR 73 CO -0.01 0.07 0.45 0.28 -0.25 0.00 0.00 175.52 176.07 3f1w h SER 74 N -0.34 0.65 -0.30 5.36 0.02 -1.86 -0.63 113.55 116.45 3f1w h SER 74 Ca -0.02 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3f1w h SER 74 Cb 0.27 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3f1w h SER 74 CO 0.03 0.38 0.16 0.25 -1.14 0.00 0.00 176.83 176.51 3f1w h LEU 75 N 0.77 0.39 -1.02 5.07 5.85 -0.61 -2.53 115.31 123.23 3f1w h LEU 75 Ca 0.38 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3f1w h LEU 75 Cb 0.34 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3f1w h LEU 75 CO -0.24 0.38 -0.32 0.77 -0.34 0.00 0.00 178.44 178.69 3f1w h SER 76 N 0.37 0.31 -0.15 1.25 4.64 -0.48 -0.80 113.55 118.69 3f1w h SER 76 Ca 0.11 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3f1w h SER 76 Cb 0.08 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3f1w h SER 76 CO -0.02 0.62 -0.34 0.11 -0.87 0.00 0.00 176.83 176.33 3f1w h LYS 77 N 0.27 -0.40 -0.66 4.77 1.57 -0.89 -0.18 116.57 121.05 3f1w h LYS 77 Ca 0.04 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3f1w h LYS 77 Cb 0.70 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3f1w h LYS 77 CO 0.05 -0.26 0.41 0.82 -0.57 0.00 0.00 179.45 179.90 3f1w h ILE 78 N -0.41 1.18 0.00 1.86 2.04 -0.93 -2.03 117.51 119.22 3f1w h ILE 78 Ca 0.10 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3f1w h ILE 78 Cb 0.57 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3f1w h ILE 78 CO -0.37 0.19 -0.31 -0.07 0.00 0.00 0.00 178.15 177.58 3f1w h LEU 79 N 0.91 0.00 -1.74 1.44 3.38 -0.70 -2.00 115.31 116.60 3f1w h LEU 79 Ca 0.24 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.45 3f1w h LEU 79 Cb -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3f1w h LEU 79 CO -0.05 0.31 0.64 0.03 0.09 0.00 0.00 178.44 179.47 3f1w h ARG 80 N 0.00 0.19 0.00 1.13 3.08 -0.26 -2.79 114.38 115.73 3f1w h ARG 80 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3f1w h ARG 80 Cb 0.82 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3f1w h ARG 80 CO 0.04 0.13 -0.10 0.00 -1.07 0.00 0.00 179.97 178.97 3f1w s GLY 82 N -4.25 2.00 0.20 0.00 0.00 -1.05 -5.12 107.32 99.09 3f1w s GLY 82 Ca 0.04 -1.80 0.11 0.00 0.00 0.00 0.00 44.72 43.07 3f1w s GLY 82 CO 0.64 -1.63 -0.19 0.54 0.00 0.00 0.00 173.10 172.47 3f1w s ASN 83 N -4.34 3.74 0.59 1.64 2.20 -1.26 -5.01 114.94 112.50 3f1w s ASN 83 Ca 0.53 -0.78 0.33 0.00 -0.94 0.00 0.00 52.86 52.00 3f1w s ASN 83 Cb -0.06 -0.42 1.18 0.00 -2.00 0.00 0.00 41.25 39.95 3f1w s ASN 83 CO 0.32 0.11 1.43 0.78 -2.94 0.00 0.00 177.10 176.80 3f1w h ASN 84 N 3.03 0.00 -0.00 3.54 4.21 -1.95 0.26 115.58 124.66 3f1w h ASN 84 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3f1w h ASN 84 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 3f1w h ASN 84 CO 0.51 0.00 -0.83 0.35 -1.29 0.00 0.00 177.43 176.17 3f1w n THR 85 N -3.48 0.00 -1.99 2.81 -2.24 -1.26 -2.26 114.28 105.86 3f1w n THR 85 Ca 0.27 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 3f1w n THR 85 Cb 1.57 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 70.87 3f1w n THR 85 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3f1w s ASP 86 N -2.75 5.42 0.06 3.42 1.01 0.91 -4.71 116.67 120.02 3f1w s ASP 86 Ca 0.09 2.50 -0.29 0.00 0.71 0.00 0.00 52.55 55.55 3f1w s ASP 86 Cb 0.15 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3f1w s ASP 86 CO 0.75 -1.44 0.94 0.42 0.21 0.00 0.00 175.17 176.05 3f1w s THR 87 N -1.48 4.68 -0.15 -1.27 -4.23 -0.80 0.49 115.64 112.87 3f1w s THR 87 Ca 0.73 2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 63.24 3f1w s THR 87 Cb -0.33 -4.30 -0.01 0.00 1.34 0.00 0.00 72.50 69.20 3f1w s THR 87 CO 0.38 0.26 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.38 3f1w s LEU 88 N 0.40 2.69 -0.20 4.79 2.96 -0.83 -2.01 118.68 126.48 3f1w s LEU 88 Ca 0.48 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3f1w s LEU 88 Cb -0.22 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.89 3f1w s LEU 88 CO 0.28 0.11 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.44 3f1w s THR 89 N 0.69 1.58 -0.04 3.68 2.01 0.07 0.10 115.64 123.73 3f1w s THR 89 Ca -0.06 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 3f1w s THR 89 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 3f1w s THR 89 CO 0.02 0.13 0.44 -0.76 -0.69 0.00 0.00 174.62 173.77 3f1w s LEU 90 N 1.42 4.40 -0.04 4.42 1.43 0.14 -0.71 118.68 129.74 3f1w s LEU 90 Ca -0.02 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3f1w s LEU 90 Cb -0.16 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.43 3f1w s LEU 90 CO -0.08 0.20 0.10 -0.63 0.23 0.00 0.00 176.35 176.16 3f1w s ILE 91 N -0.42 -0.02 -0.20 -0.59 1.01 -0.44 -0.53 121.20 120.01 3f1w s ILE 91 Ca 0.25 0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 3f1w s ILE 91 Cb -0.16 -0.16 0.05 0.00 0.01 0.00 0.00 42.46 42.20 3f1w s ILE 91 CO 0.12 0.04 0.52 0.00 0.00 0.00 0.00 174.94 175.62 3f1w s ALA 92 N 0.56 -1.29 0.66 9.38 0.00 -0.35 -1.22 121.76 129.50 3f1w s ALA 92 Ca -0.04 1.48 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 3f1w s ALA 92 Cb -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3f1w s ALA 92 CO -0.02 -0.25 1.02 0.16 0.00 0.00 0.00 175.76 176.67 3f1w s ASP 93 N 0.32 5.54 0.91 0.00 1.47 -1.26 0.11 116.67 123.76 3f1w s ASP 93 Ca -0.00 0.98 -0.11 0.00 1.18 0.00 0.00 52.55 54.60 3f1w s ASP 93 Cb -0.04 -1.87 0.14 0.00 -0.34 0.00 0.00 42.92 40.81 3f1w s ASP 93 CO 0.00 -1.21 1.09 0.54 0.68 0.00 0.00 175.17 176.27 3f1w s ASN 94 N -4.33 3.24 -1.44 2.11 2.20 -1.26 -3.81 114.94 111.64 3f1w s ASN 94 Ca 0.56 1.66 -0.03 0.00 -0.94 0.00 0.00 52.86 54.12 3f1w s ASN 94 Cb -0.11 -2.31 0.02 0.00 -2.00 0.00 0.00 41.25 36.86 3f1w s ASN 94 CO 0.49 -2.81 0.52 0.35 -2.94 0.00 0.00 177.10 172.71 3f1w n THR 95 N -4.01 -2.89 -2.48 0.54 -2.24 -1.26 -4.93 114.28 97.01 3f1w n THR 95 Ca 0.08 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 3f1w n THR 95 Cb 0.54 -2.65 -0.03 0.00 -2.10 0.00 0.00 70.33 66.09 3f1w n THR 95 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3f1w s PRO 96 N -6.55 3.86 0.00 -0.78 0.02 -1.25 -4.98 135.00 125.32 3f1w s PRO 96 Ca 0.13 0.79 0.10 0.00 0.02 0.00 0.00 61.00 62.03 3f1w s PRO 96 Cb -0.07 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 3f1w s PRO 96 CO 0.88 -0.23 0.56 -0.40 -0.33 0.00 0.00 177.00 177.48 3f1w n ASP 97 N -1.62 0.99 -3.49 2.53 5.68 -1.26 -4.94 116.55 114.44 3f1w n ASP 97 Ca 0.05 -0.99 -0.11 0.00 -0.50 0.00 0.00 54.79 53.24 3f1w n ASP 97 Cb 0.54 0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 41.10 3f1w n ASP 97 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3f1w s SER 98 N -1.47 -0.47 0.44 -1.12 1.04 -1.26 0.67 113.70 111.52 3f1w s SER 98 Ca 0.07 0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.72 3f1w s SER 98 Cb 0.08 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3f1w s SER 98 CO 0.28 -0.68 0.20 0.27 0.98 0.00 0.00 173.24 174.29 3f1w s ILE 99 N -2.74 2.15 -0.02 -1.02 -4.36 0.65 -4.86 121.20 110.99 3f1w s ILE 99 Ca 0.01 -1.68 0.07 0.00 -0.26 0.00 0.00 60.65 58.79 3f1w s ILE 99 Cb -0.01 -2.83 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 3f1w s ILE 99 CO -0.06 0.00 -0.24 -0.63 0.24 0.00 0.00 174.94 174.25 3f1w s ILE 100 N -2.64 1.91 -0.11 8.37 1.01 -0.35 -1.24 121.20 128.14 3f1w s ILE 100 Ca 0.38 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3f1w s ILE 100 Cb 0.03 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 3f1w s ILE 100 CO 0.21 0.54 -0.20 -0.76 0.00 0.00 0.00 174.94 174.73 3f1w s LEU 101 N -0.49 2.31 -0.27 2.97 1.02 -0.20 -1.32 118.68 122.71 3f1w s LEU 101 Ca 0.07 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 3f1w s LEU 101 Cb -0.10 -1.48 0.04 0.00 0.02 0.00 0.00 46.19 44.67 3f1w s LEU 101 CO -0.00 0.17 -0.05 -0.76 0.02 0.00 0.00 176.35 175.73 3f1w s LEU 102 N 0.30 3.45 -0.17 1.79 1.43 0.11 -1.67 118.68 123.92 3f1w s LEU 102 Ca -0.15 -1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 51.70 3f1w s LEU 102 Cb -0.17 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3f1w s LEU 102 CO 0.07 -0.18 0.39 -0.36 0.23 0.00 0.00 176.35 176.50 3f1w s PHE 103 N 1.26 3.43 0.19 0.29 0.08 -0.86 -0.75 117.98 121.62 3f1w s PHE 103 Ca -0.03 0.68 0.09 0.00 0.12 0.00 0.00 56.93 57.79 3f1w s PHE 103 Cb -0.18 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 3f1w s PHE 103 CO -0.04 0.10 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.88 3f1w s GLU 104 N 0.92 2.04 0.13 0.44 2.02 -0.85 -1.05 118.70 122.35 3f1w s GLU 104 Ca 0.20 -1.31 0.08 0.00 0.02 0.00 0.00 54.97 53.97 3f1w s GLU 104 Cb -0.14 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 3f1w s GLU 104 CO 0.07 0.42 -0.20 0.34 0.02 0.00 0.00 175.26 175.92 3f1w s ASP 105 N -2.91 2.63 -0.39 -0.19 2.15 -1.12 -1.90 116.67 114.95 3f1w s ASP 105 Ca 0.25 -0.78 0.06 0.00 0.43 0.00 0.00 52.55 52.52 3f1w s ASP 105 Cb -0.08 -0.15 0.64 0.00 -0.30 0.00 0.00 42.92 43.02 3f1w s ASP 105 CO 0.15 0.01 1.78 1.07 -0.17 0.00 0.00 175.17 178.01 3f1w n THR 106 N 0.67 2.98 -3.50 1.71 5.66 -1.26 -3.41 114.28 117.14 3f1w n THR 106 Ca -0.16 -2.10 -0.29 0.00 -3.05 0.00 0.00 64.05 58.45 3f1w n THR 106 Cb 0.55 -0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 68.79 3f1w n THR 106 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3f1w s LYS 107 N -3.24 0.40 0.33 1.09 1.02 -1.26 -5.03 119.74 113.05 3f1w s LYS 107 Ca 0.53 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3f1w s LYS 107 Cb 0.45 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.52 3f1w s LYS 107 CO 0.08 -1.13 0.00 1.63 -0.92 0.00 0.00 175.35 175.01 3f1w n LYS 108 N 4.54 0.00 -2.84 1.68 5.02 -1.22 -4.43 118.16 120.91 3f1w n LYS 108 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3f1w n LYS 108 Cb 0.39 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.43 3f1w n LYS 108 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f1w n ASP 109 N -3.16 -4.36 -3.54 4.39 8.00 -1.26 -4.81 116.55 111.80 3f1w n ASP 109 Ca 0.00 -0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.15 3f1w n ASP 109 Cb 0.00 -3.15 -0.05 0.00 -0.02 0.00 0.00 41.12 37.90 3f1w n ASP 109 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3f1w s ARG 110 N -5.39 0.85 -0.40 -1.24 0.52 -1.22 -4.73 118.95 107.34 3f1w s ARG 110 Ca 0.23 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.60 3f1w s ARG 110 Cb -0.10 0.40 0.19 0.00 0.52 0.00 0.00 34.95 35.96 3f1w s ARG 110 CO 0.29 -0.27 0.87 0.42 0.02 0.00 0.00 175.30 176.62 3f1w s ILE 111 N -1.34 -0.62 -0.01 1.52 -1.09 -1.25 -2.78 121.20 115.63 3f1w s ILE 111 Ca -0.06 -0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 3f1w s ILE 111 Cb -0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 42.46 40.82 3f1w s ILE 111 CO 0.05 0.00 0.35 0.00 -1.23 0.00 0.00 174.94 174.11 3f1w s ALA 112 N 1.48 3.74 -0.11 9.38 0.00 -0.22 -4.98 121.76 131.05 3f1w s ALA 112 Ca 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3f1w s ALA 112 Cb 0.02 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.88 3f1w s ALA 112 CO -0.09 0.53 -0.12 -1.21 0.00 0.00 0.00 175.76 174.86 3f1w s GLU 113 N -1.22 1.91 0.29 0.00 2.02 -1.26 -2.03 118.70 118.41 3f1w s GLU 113 Ca 0.24 -0.43 0.10 0.00 0.02 0.00 0.00 54.97 54.89 3f1w s GLU 113 Cb -0.15 -1.74 -0.06 0.00 0.10 0.00 0.00 34.13 32.28 3f1w s GLU 113 CO 0.12 -0.14 -0.14 0.71 0.02 0.00 0.00 175.26 175.83 3f1w s TYR 114 N 1.25 2.20 -0.12 1.61 1.51 -0.67 -4.98 117.35 118.14 3f1w s TYR 114 Ca -0.02 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 3f1w s TYR 114 Cb -0.14 -1.10 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 3f1w s TYR 114 CO -0.04 0.57 0.04 0.45 -1.11 0.00 0.00 175.55 175.45 3f1w s SER 115 N -3.51 2.07 -0.07 2.29 0.15 -1.26 -1.03 113.70 112.34 3f1w s SER 115 Ca 0.30 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.43 3f1w s SER 115 Cb -0.01 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 3f1w s SER 115 CO 0.14 -0.27 0.31 -0.22 1.20 0.00 0.00 173.24 174.40 3f1w s LEU 116 N 2.01 4.40 -0.10 3.45 2.96 -0.37 -4.93 118.68 126.10 3f1w s LEU 116 Ca 0.03 0.73 -0.22 0.00 -0.22 0.00 0.00 54.13 54.44 3f1w s LEU 116 Cb -0.14 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3f1w s LEU 116 CO -0.07 0.30 0.64 -0.54 -1.32 0.00 0.00 176.35 175.36 3f1w s LYS 117 N -0.71 4.38 0.56 1.98 1.02 -1.26 -0.25 119.74 125.45 3f1w s LYS 117 Ca 0.20 0.75 -0.17 0.00 0.02 0.00 0.00 55.97 56.77 3f1w s LYS 117 Cb -0.15 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 3f1w s LYS 117 CO 0.09 0.03 1.04 -0.51 -0.92 0.00 0.00 175.35 175.08 3f1w s LEU 118 N 0.95 3.60 0.44 3.17 1.43 0.21 -4.81 118.68 123.68 3f1w s LEU 118 Ca 0.34 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 55.31 3f1w s LEU 118 Cb -0.17 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 3f1w s LEU 118 CO 0.15 -1.01 0.10 -0.04 0.23 0.00 0.00 176.35 175.78 3f1w s MET 119 N -3.87 2.12 -0.39 1.70 -1.94 0.11 -4.82 119.30 112.21 3f1w s MET 119 Ca 0.64 -2.07 -0.13 0.00 -1.71 0.00 0.00 55.69 52.42 3f1w s MET 119 Cb -0.15 -1.77 0.02 0.00 2.01 0.00 0.00 34.83 34.94 3f1w s MET 119 CO 0.32 -0.18 0.25 0.34 -0.01 0.00 0.00 175.02 175.74 3f1w s ASP 120 N -3.85 5.91 -0.18 3.03 2.15 -1.26 -4.01 116.67 118.45 3f1w s ASP 120 Ca 0.31 -0.93 -0.04 0.00 0.43 0.00 0.00 52.55 52.32 3f1w s ASP 120 Cb 0.05 -2.09 -0.02 0.00 -0.30 0.00 0.00 42.92 40.56 3f1w s ASP 120 CO 0.17 -0.41 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.11 3f1w s ILE 121 N 1.62 3.89 -0.22 4.11 1.01 -1.26 -5.07 121.20 125.27 3f1w s ILE 121 Ca 0.04 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3f1w s ILE 121 Cb -0.19 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3f1w s ILE 121 CO 0.08 0.46 1.04 -1.81 0.00 0.00 0.00 174.94 174.71 3f1w s ASP 122 N 0.75 7.11 -0.03 3.58 1.01 -1.26 -4.96 116.67 122.87 3f1w s ASP 122 Ca -0.01 1.39 0.01 0.00 0.71 0.00 0.00 52.55 54.66 3f1w s ASP 122 Cb -0.14 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.26 3f1w s ASP 122 CO 0.02 -0.65 -0.04 0.00 0.21 0.00 0.00 175.17 174.71 3f1w s ALA 123 N 3.11 0.52 -0.52 5.23 0.00 -1.26 -5.08 121.76 123.76 3f1w s ALA 123 Ca 0.44 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3f1w s ALA 123 Cb -0.15 -0.30 0.13 0.00 0.00 0.00 0.00 23.12 22.80 3f1w s ALA 123 CO 0.07 0.02 0.26 0.34 0.00 0.00 0.00 175.76 176.45 3f1w s ASP 124 N 0.61 4.45 0.26 0.00 2.15 -1.26 -5.10 116.67 117.79 3f1w s ASP 124 Ca -0.07 -2.94 -0.30 0.00 0.43 0.00 0.00 52.55 49.67 3f1w s ASP 124 Cb -0.11 -1.66 -0.11 0.00 -0.30 0.00 0.00 42.92 40.74 3f1w s ASP 124 CO -0.00 -0.26 1.55 0.12 -0.17 0.00 0.00 175.17 176.41 3f1w s PHE 125 N -0.18 2.87 -0.04 -5.34 5.36 -1.26 -5.03 117.98 114.36 3f1w s PHE 125 Ca 0.17 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.98 3f1w s PHE 125 Cb -0.25 -3.98 -0.03 0.00 -0.34 0.00 0.00 43.02 38.42 3f1w s PHE 125 CO -0.01 -3.33 -0.09 -0.51 -1.46 0.00 0.00 175.22 169.82 3f1w s LEU 126 N -0.24 3.07 -0.50 6.12 1.02 -1.26 -5.06 118.68 121.83 3f1w s LEU 126 Ca 0.63 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.75 3f1w s LEU 126 Cb -0.46 -1.70 0.31 0.00 0.02 0.00 0.00 46.19 44.36 3f1w s LEU 126 CO 0.44 0.33 0.78 0.29 0.02 0.00 0.00 176.35 178.21 3f1w n LYS 127 N 2.01 2.06 0.00 1.70 4.76 -1.26 -4.92 118.16 122.51 3f1w n LYS 127 Ca -0.17 -4.16 0.14 0.00 -2.87 0.00 0.00 58.31 51.25 3f1w n LYS 127 Cb 0.53 -1.93 0.48 0.00 -1.84 0.00 0.00 35.03 32.26 3f1w n LYS 127 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3f1w n ILE 128 N 0.40 0.00 -1.80 -0.18 -5.35 -1.26 -4.93 119.36 106.24 3f1w n ILE 128 Ca 0.28 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 62.18 3f1w n ILE 128 Cb 0.49 0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 3f1w n ILE 128 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3f1w s GLU 129 N -2.30 4.14 0.68 6.28 2.12 -1.26 -4.99 118.70 123.37 3f1w s GLU 129 Ca 0.30 2.55 -0.11 0.00 0.36 0.00 0.00 54.97 58.07 3f1w s GLU 129 Cb 0.20 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.55 3f1w s GLU 129 CO 0.44 -0.62 1.07 -1.21 -0.54 0.00 0.00 175.26 174.41 3f1w s GLU 130 N -0.36 3.06 -0.05 4.30 0.41 -1.26 -5.04 118.70 119.75 3f1w s GLU 130 Ca 0.64 0.61 -0.20 0.00 -0.41 0.00 0.00 54.97 55.61 3f1w s GLU 130 Cb -0.47 -2.03 -0.15 0.00 -1.78 0.00 0.00 34.13 29.70 3f1w s GLU 130 CO 0.46 -0.93 0.83 1.25 -0.49 0.00 0.00 175.26 176.38 3f1w h LEU 131 N -0.58 -0.20 -8.40 1.80 5.85 -2.02 -3.45 115.31 108.30 3f1w h LEU 131 Ca -0.45 -0.32 -0.47 0.00 0.84 0.00 0.00 57.88 57.48 3f1w h LEU 131 Cb 1.23 0.05 -0.24 0.00 0.37 0.00 0.00 40.66 42.07 3f1w h LEU 131 CO 0.62 0.35 -0.80 0.00 -0.34 0.00 0.00 178.44 178.27 3f1w s GLN 132 N -3.35 1.00 0.09 1.25 -2.07 -1.26 -5.15 119.66 110.17 3f1w s GLN 132 Ca -0.12 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 52.60 3f1w s GLN 132 Cb 0.00 -1.05 -0.04 0.00 -1.09 0.00 0.00 33.01 30.84 3f1w s GLN 132 CO 0.45 0.26 0.11 0.71 -1.32 0.00 0.00 175.29 175.50 3f1w s TYR 133 N -0.94 3.25 0.38 9.60 2.02 -1.26 -5.01 117.35 125.39 3f1w s TYR 133 Ca 0.02 0.09 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 3f1w s TYR 133 Cb -0.09 -1.63 0.83 0.00 -0.40 0.00 0.00 41.96 40.68 3f1w s TYR 133 CO 0.02 0.53 1.95 -0.44 -1.57 0.00 0.00 175.55 176.04 3f1w h ASP 134 N 3.11 0.58 -4.63 2.29 3.32 -1.08 -3.42 116.42 116.60 3f1w h ASP 134 Ca -0.47 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.42 3f1w h ASP 134 Cb 1.17 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.38 3f1w h ASP 134 CO 0.67 0.36 -0.60 -0.44 -1.72 0.00 0.00 179.24 177.51 3f1w s SER 135 N -6.14 0.06 0.03 6.45 0.01 -0.49 -0.94 113.70 112.69 3f1w s SER 135 Ca -0.09 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.02 3f1w s SER 135 Cb 0.20 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 3f1w s SER 135 CO 0.77 -0.25 -0.13 -0.89 0.41 0.00 0.00 173.24 173.15 3f1w s THR 136 N -1.00 1.04 -0.28 1.44 2.01 0.59 -1.28 115.64 118.16 3f1w s THR 136 Ca -0.11 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3f1w s THR 136 Cb -0.06 -0.93 0.08 0.00 0.01 0.00 0.00 72.50 71.60 3f1w s THR 136 CO 0.00 0.05 0.72 -0.22 -0.69 0.00 0.00 174.62 174.48 3f1w s LEU 137 N -0.94 -0.85 0.04 4.42 0.20 -0.70 0.01 118.68 120.86 3f1w s LEU 137 Ca 0.02 1.46 0.02 0.00 0.69 0.00 0.00 54.13 56.31 3f1w s LEU 137 Cb -0.07 2.39 -0.03 0.00 -0.43 0.00 0.00 46.19 48.05 3f1w s LEU 137 CO 0.01 -0.24 -0.07 -0.94 -0.29 0.00 0.00 176.35 174.82 3f1w s SER 138 N 1.12 0.75 0.19 3.68 1.04 -0.48 0.38 113.70 120.38 3f1w s SER 138 Ca -0.06 -0.60 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 3f1w s SER 138 Cb -0.05 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.18 3f1w s SER 138 CO -0.12 -0.26 0.89 -1.48 0.98 0.00 0.00 173.24 173.25 3f1w s LEU 139 N -1.75 -0.19 0.22 2.42 -0.00 -0.61 -2.07 118.68 116.71 3f1w s LEU 139 Ca -0.08 -0.48 -0.32 0.00 -0.00 0.00 0.00 54.13 53.25 3f1w s LEU 139 Cb -0.08 2.33 -0.13 0.00 -0.00 0.00 0.00 46.19 48.31 3f1w s LEU 139 CO -0.01 -1.04 1.59 -2.65 -0.00 0.00 0.00 176.35 174.24 3f1w n PRO 140 N -0.47 2.43 0.12 1.48 -0.02 -1.26 -1.03 135.00 136.26 3f1w n PRO 140 Ca -0.05 0.87 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 3f1w n PRO 140 Cb 0.60 -2.64 0.32 0.00 -0.02 0.00 0.00 33.50 31.76 3f1w n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f1w h SER 141 N 5.53 0.19 -0.79 2.55 4.64 -0.67 -2.29 113.55 122.70 3f1w h SER 141 Ca -0.45 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3f1w h SER 141 Cb 1.24 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3f1w h SER 141 CO 0.86 0.47 0.44 0.77 -0.87 0.00 0.00 176.83 178.50 3f1w h SER 142 N 0.17 0.97 -0.25 4.97 4.64 -1.88 0.32 113.55 122.49 3f1w h SER 142 Ca 0.03 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3f1w h SER 142 Cb 0.59 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3f1w h SER 142 CO 0.04 0.78 0.01 -0.08 -0.87 0.00 0.00 176.83 176.71 3f1w h GLU 143 N 1.09 0.44 -0.67 4.77 4.81 -1.80 -1.95 114.58 121.26 3f1w h GLU 143 Ca 0.28 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3f1w h GLU 143 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3f1w h GLU 143 CO -0.05 0.60 0.10 0.35 -0.73 0.00 0.00 179.01 179.29 3f1w h PHE 144 N 0.22 1.18 -0.97 0.92 3.57 -1.22 -1.62 116.94 119.02 3f1w h PHE 144 Ca 0.07 -0.16 0.08 0.00 3.53 0.00 0.00 57.97 61.49 3f1w h PHE 144 Cb 0.40 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 3f1w h PHE 144 CO 0.03 0.98 0.62 1.03 -2.23 0.00 0.00 178.31 178.75 3f1w h SER 145 N 1.03 0.95 -0.02 0.41 0.87 -0.23 -1.16 113.55 115.42 3f1w h SER 145 Ca 0.20 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3f1w h SER 145 Cb 0.45 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3f1w h SER 145 CO 0.01 0.58 -0.03 0.50 -0.53 0.00 0.00 176.83 177.37 3f1w h LYS 146 N 1.06 0.05 -0.88 2.24 3.64 -0.78 -0.63 116.57 121.26 3f1w h LYS 146 Ca 0.44 -0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.99 3f1w h LYS 146 Cb 0.28 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.99 3f1w h LYS 146 CO -0.19 0.59 0.40 0.82 -2.27 0.00 0.00 179.45 178.80 3f1w h ILE 147 N -0.49 0.54 0.19 2.00 2.04 -1.06 0.63 117.51 121.35 3f1w h ILE 147 Ca 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3f1w h ILE 147 Cb 0.59 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3f1w h ILE 147 CO 0.01 0.08 -0.09 0.58 0.00 0.00 0.00 178.15 178.73 3f1w h VAL 148 N 0.45 0.87 -0.63 1.67 2.07 -1.18 -0.73 116.25 118.77 3f1w h VAL 148 Ca 0.53 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 67.19 3f1w h VAL 148 Cb 0.95 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3f1w h VAL 148 CO -0.49 0.19 0.30 0.03 0.02 0.00 0.00 177.57 177.62 3f1w h ARG 149 N -0.77 0.53 0.29 1.57 3.08 -0.10 -0.06 114.38 118.92 3f1w h ARG 149 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3f1w h ARG 149 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3f1w h ARG 149 CO 0.04 0.35 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.71 3f1w h ASP 150 N 0.54 -0.33 -0.45 7.04 5.19 0.18 -3.30 116.42 125.29 3f1w h ASP 150 Ca 0.30 0.01 0.13 0.00 -0.62 0.00 0.00 57.03 56.85 3f1w h ASP 150 Cb 0.28 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 3f1w h ASP 150 CO -0.24 -0.22 0.33 -0.07 -3.12 0.00 0.00 179.24 175.93 3f1w h LEU 151 N -0.41 0.00 0.00 1.55 3.38 -0.91 0.27 115.31 119.19 3f1w h LEU 151 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3f1w h LEU 151 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3f1w h LEU 151 CO 0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 3f1w n SER 152 N -4.35 0.00 0.05 -0.43 3.41 -0.05 -2.10 113.62 110.15 3f1w n SER 152 Ca 0.08 -1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 57.54 3f1w n SER 152 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 3f1w n SER 152 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3f1w h GLN 153 N 0.00 0.00 0.00 4.33 1.08 -0.57 -3.40 115.11 116.55 3f1w h GLN 153 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 3f1w h GLN 153 Cb 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 3f1w h GLN 153 CO 0.00 0.77 -2.36 1.28 -0.95 0.00 0.00 178.83 177.57 3f1w n LEU 154 N -3.24 2.24 -4.22 1.46 4.32 -0.89 -5.02 117.00 111.65 3f1w n LEU 154 Ca -0.04 -0.10 -0.16 0.00 -0.02 0.00 0.00 56.01 55.69 3f1w n LEU 154 Cb 0.92 -0.52 -0.11 0.00 -1.62 0.00 0.00 43.42 42.10 3f1w n LEU 154 CO 0.45 0.80 -0.43 -0.55 -1.22 0.00 0.00 177.39 176.44 3f1w s SER 155 N -6.09 1.82 0.00 -1.43 0.15 -1.20 -3.55 113.70 103.40 3f1w s SER 155 Ca -0.27 -0.84 0.23 0.00 0.70 0.00 0.00 55.95 55.77 3f1w s SER 155 Cb 0.08 -0.04 0.83 0.00 -1.71 0.00 0.00 66.02 65.18 3f1w s SER 155 CO 0.61 -0.20 1.60 0.47 1.20 0.00 0.00 173.24 176.92 3f1w n ASP 156 N 0.43 1.66 -3.78 5.45 9.92 -1.26 -4.53 116.55 124.44 3f1w n ASP 156 Ca -0.15 -1.65 -0.13 0.00 -0.53 0.00 0.00 54.79 52.33 3f1w n ASP 156 Cb 0.58 -0.08 -0.13 0.00 -0.64 0.00 0.00 41.12 40.85 3f1w n ASP 156 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3f1w s SER 157 N -1.69 -0.18 -0.04 -2.24 1.04 -1.26 -1.40 113.70 107.92 3f1w s SER 157 Ca 0.34 0.37 0.02 0.00 0.48 0.00 0.00 55.95 57.16 3f1w s SER 157 Cb 0.19 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 3f1w s SER 157 CO 0.28 -0.10 -0.08 -0.63 0.98 0.00 0.00 173.24 173.69 3f1w s ILE 158 N 0.54 3.55 -0.20 -1.02 1.01 0.26 -4.51 121.20 120.84 3f1w s ILE 158 Ca -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3f1w s ILE 158 Cb -0.05 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3f1w s ILE 158 CO -0.03 0.53 -0.04 0.21 0.00 0.00 0.00 174.94 175.61 3f1w s ASN 159 N -1.01 4.50 -0.14 3.58 2.47 -0.52 -0.01 114.94 123.82 3f1w s ASN 159 Ca 0.14 -0.29 -0.04 0.00 0.42 0.00 0.00 52.86 53.09 3f1w s ASN 159 Cb -0.11 -1.76 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 3f1w s ASN 159 CO 0.03 0.05 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.82 3f1w s ILE 160 N 1.08 4.19 -0.03 -5.21 1.01 0.17 -1.54 121.20 120.87 3f1w s ILE 160 Ca 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3f1w s ILE 160 Cb -0.15 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.52 3f1w s ILE 160 CO 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 174.94 175.45 3f1w s MET 161 N 0.05 0.32 -0.21 2.79 0.23 -0.16 -0.81 119.30 121.51 3f1w s MET 161 Ca 0.02 0.03 -0.02 0.00 -1.03 0.00 0.00 55.69 54.69 3f1w s MET 161 Cb -0.13 -0.46 0.00 0.00 -1.53 0.00 0.00 34.83 32.71 3f1w s MET 161 CO 0.02 -0.10 -0.09 0.42 -2.03 0.00 0.00 175.02 173.24 3f1w s ILE 162 N 0.82 2.94 0.49 3.16 -1.09 0.30 -1.35 121.20 126.46 3f1w s ILE 162 Ca -0.08 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3f1w s ILE 162 Cb -0.12 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3f1w s ILE 162 CO -0.01 0.46 0.06 0.42 -1.23 0.00 0.00 174.94 174.64 3f1w s THR 163 N 1.42 1.46 -0.36 2.92 -4.23 -0.57 -2.47 115.64 113.80 3f1w s THR 163 Ca 0.05 -1.92 -0.42 0.00 -1.18 0.00 0.00 61.69 58.23 3f1w s THR 163 Cb -0.14 -2.38 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 3f1w s THR 163 CO -0.06 0.00 1.75 0.29 -0.54 0.00 0.00 174.62 176.05 3f1w n LYS 164 N -1.27 0.76 -1.14 3.99 5.02 -1.26 -1.62 118.16 122.65 3f1w n LYS 164 Ca -0.13 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3f1w n LYS 164 Cb 0.66 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3f1w n LYS 164 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3f1w n GLU 165 N 5.25 -1.40 -3.70 1.97 4.07 -1.26 -4.94 120.64 120.64 3f1w n GLU 165 Ca 0.30 0.59 -0.18 0.00 -0.06 0.00 0.00 57.16 57.81 3f1w n GLU 165 Cb 0.07 -4.74 -0.17 0.00 -0.06 0.00 0.00 31.44 26.54 3f1w n GLU 165 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3f1w s THR 166 N -1.65 -0.12 -0.15 6.31 -4.23 -0.64 -4.50 115.64 110.66 3f1w s THR 166 Ca 0.00 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 3f1w s THR 166 Cb 0.00 -0.17 -0.03 0.00 1.34 0.00 0.00 72.50 73.64 3f1w s THR 166 CO 0.00 0.14 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.56 3f1w s ILE 167 N 1.84 3.99 -0.05 2.99 1.01 -0.80 -1.52 121.20 128.67 3f1w s ILE 167 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3f1w s ILE 167 Cb -0.12 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.63 3f1w s ILE 167 CO -0.04 0.50 -0.01 -0.75 0.00 0.00 0.00 174.94 174.65 3f1w s LYS 168 N 0.21 0.54 -0.09 2.79 2.20 -0.45 -1.35 119.74 123.58 3f1w s LYS 168 Ca -0.02 0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 3f1w s LYS 168 Cb -0.14 -0.76 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 3f1w s LYS 168 CO 0.03 -0.19 0.00 -0.06 -0.36 0.00 0.00 175.35 174.77 3f1w s PHE 169 N 1.39 3.16 -0.09 4.03 0.40 0.20 -0.98 117.98 126.10 3f1w s PHE 169 Ca -0.04 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 3f1w s PHE 169 Cb -0.13 -1.81 0.05 0.00 0.51 0.00 0.00 43.02 41.64 3f1w s PHE 169 CO -0.03 0.44 0.18 0.08 0.70 0.00 0.00 175.22 176.59 3f1w s VAL 170 N -0.78 -0.20 -0.19 -0.44 1.01 -0.59 -0.77 120.40 118.44 3f1w s VAL 170 Ca 0.12 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3f1w s VAL 170 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3f1w s VAL 170 CO 0.02 0.11 -0.08 0.00 0.00 0.00 0.00 175.10 175.16 3f1w s ALA 171 N 1.86 2.74 -0.49 5.51 0.00 -0.70 -1.43 121.76 129.24 3f1w s ALA 171 Ca -0.02 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.92 3f1w s ALA 171 Cb -0.12 -1.53 0.23 0.00 0.00 0.00 0.00 23.12 21.70 3f1w s ALA 171 CO -0.07 -0.23 0.55 -3.47 0.00 0.00 0.00 175.76 172.55 3f1w n ASP 172 N 4.41 1.35 -4.63 0.00 2.03 -1.26 -1.77 116.55 116.68 3f1w n ASP 172 Ca -0.18 -2.90 -0.25 0.00 0.52 0.00 0.00 54.79 51.98 3f1w n ASP 172 Cb 0.51 -0.65 0.11 0.00 -0.72 0.00 0.00 41.12 40.38 3f1w n ASP 172 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3f1w s GLY 173 N -1.38 1.76 0.11 0.27 0.00 -1.08 -4.92 107.32 102.08 3f1w s GLY 173 Ca 0.35 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 3f1w s GLY 173 CO -0.10 -0.97 1.48 -0.55 0.00 0.00 0.00 173.10 172.95 3f1w h ASP 174 N -0.68 -1.58 -0.82 1.64 3.32 -2.00 -2.89 116.42 113.41 3f1w h ASP 174 Ca -0.39 0.20 0.11 0.00 0.02 0.00 0.00 57.03 56.97 3f1w h ASP 174 Cb 1.27 0.64 -0.08 0.00 0.22 0.00 0.00 39.33 41.38 3f1w h ASP 174 CO 0.42 -0.37 0.45 0.16 -1.72 0.00 0.00 179.24 178.18 3f1w h ILE 175 N -0.40 0.85 -0.97 0.35 3.07 -1.96 -3.47 117.51 114.99 3f1w h ILE 175 Ca 0.05 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.21 3f1w h ILE 175 Cb 0.54 0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.15 3f1w h ILE 175 CO -0.47 0.13 0.00 0.61 -1.05 0.00 0.00 178.15 177.37 3f1w n GLY 176 N -1.32 0.55 3.13 0.16 0.00 -1.09 -5.17 105.19 101.45 3f1w n GLY 176 Ca 0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3f1w n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f1w s SER 177 N -0.69 0.12 0.04 1.61 1.04 -1.26 -2.65 113.70 111.91 3f1w s SER 177 Ca 0.00 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 3f1w s SER 177 Cb 0.00 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3f1w s SER 177 CO 0.00 -0.51 0.14 -0.55 0.98 0.00 0.00 173.24 173.30 3f1w s SER 178 N -2.05 0.12 -0.06 7.02 0.15 -0.73 -5.01 113.70 113.14 3f1w s SER 178 Ca -0.06 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.09 3f1w s SER 178 Cb -0.02 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3f1w s SER 178 CO -0.04 -0.55 0.06 -0.44 1.20 0.00 0.00 173.24 173.47 3f1w s SER 179 N -2.19 1.33 -0.18 5.45 0.01 -1.26 -1.73 113.70 115.13 3f1w s SER 179 Ca -0.04 -0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.10 3f1w s SER 179 Cb -0.00 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 3f1w s SER 179 CO -0.05 -0.26 0.14 -0.69 0.41 0.00 0.00 173.24 172.79 3f1w s VAL 180 N 2.16 5.42 -0.14 3.43 1.01 0.05 -4.96 120.40 127.37 3f1w s VAL 180 Ca 0.05 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3f1w s VAL 180 Cb -0.13 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3f1w s VAL 180 CO -0.04 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 3f1w s ILE 181 N 0.05 1.59 0.34 2.22 1.01 -1.26 -0.62 121.20 124.53 3f1w s ILE 181 Ca 0.10 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3f1w s ILE 181 Cb -0.11 -1.47 -0.07 0.00 0.01 0.00 0.00 42.46 40.82 3f1w s ILE 181 CO -0.00 0.46 -0.00 0.27 0.00 0.00 0.00 174.94 175.66 3f1w s ILE 182 N 1.29 1.68 0.00 2.92 -4.36 -0.46 -5.01 121.20 117.26 3f1w s ILE 182 Ca 0.01 -2.06 -0.16 0.00 -0.26 0.00 0.00 60.65 58.18 3f1w s ILE 182 Cb -0.14 -2.75 0.03 0.00 1.25 0.00 0.00 42.46 40.85 3f1w s ILE 182 CO -0.07 -0.10 0.35 -0.54 0.24 0.00 0.00 174.94 174.82 3f1w s LYS 183 N -3.76 0.77 0.01 0.37 1.02 -1.26 -1.90 119.74 114.99 3f1w s LYS 183 Ca 0.34 -0.25 -0.33 0.00 0.02 0.00 0.00 55.97 55.75 3f1w s LYS 183 Cb 0.07 0.34 -0.12 0.00 -0.52 0.00 0.00 37.83 37.61 3f1w s LYS 183 CO 0.15 -0.23 1.83 -2.30 -0.92 0.00 0.00 175.35 173.88 3f1w n PRO 184 N 0.98 2.36 -3.67 -1.68 -0.02 -1.26 -4.75 135.00 126.97 3f1w n PRO 184 Ca -0.20 0.86 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3f1w n PRO 184 Cb 0.57 -2.72 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 3f1w n PRO 184 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3f1w s PHE 185 N 3.27 -0.62 -0.18 6.00 -0.12 -0.76 -4.96 117.98 120.61 3f1w s PHE 185 Ca 0.88 1.45 -0.08 0.00 -0.05 0.00 0.00 56.93 59.13 3f1w s PHE 185 Cb -0.62 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3f1w s PHE 185 CO 0.45 -0.34 0.07 0.54 -0.05 0.00 0.00 175.22 175.89 3f1w s VAL 186 N 0.09 4.86 -0.17 -2.49 0.11 -1.26 -1.62 120.40 119.92 3f1w s VAL 186 Ca -0.02 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 3f1w s VAL 186 Cb -0.04 -3.19 0.05 0.00 -1.53 0.00 0.00 36.38 31.67 3f1w s VAL 186 CO 0.02 0.46 0.03 -0.62 -3.33 0.00 0.00 175.10 171.66 3f1w s ASP 187 N 0.32 2.67 0.00 3.54 -1.08 -1.26 -5.05 116.67 115.82 3f1w s ASP 187 Ca 0.04 -0.69 0.19 0.00 -0.52 0.00 0.00 52.55 51.57 3f1w s ASP 187 Cb -0.12 -0.58 0.98 0.00 -1.46 0.00 0.00 42.92 41.74 3f1w s ASP 187 CO -0.00 -0.28 1.59 0.23 0.52 0.00 0.00 175.17 177.22 3f1w n MET 188 N 5.06 0.30 -3.38 4.34 2.81 -1.26 -1.69 117.12 123.31 3f1w n MET 188 Ca -0.09 0.10 -0.26 0.00 -1.81 0.00 0.00 57.70 55.64 3f1w n MET 188 Cb 0.48 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.40 3f1w n MET 188 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f1w n GLU 189 N -1.26 1.04 -3.78 0.03 1.02 -1.26 -3.95 120.64 112.48 3f1w n GLU 189 Ca 0.10 -3.63 -0.24 0.00 -0.02 0.00 0.00 57.16 53.36 3f1w n GLU 189 Cb 0.14 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 3f1w n GLU 189 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3f1w s HIS 190 N -1.11 2.04 -1.91 -0.32 -3.43 -1.26 -5.07 115.29 104.23 3f1w s HIS 190 Ca 0.34 -0.71 0.28 0.00 -0.80 0.00 0.00 55.06 54.18 3f1w s HIS 190 Cb 0.10 -2.01 1.66 0.00 -1.43 0.00 0.00 32.58 30.90 3f1w s HIS 190 CO -0.12 -0.33 2.03 -2.30 -2.00 0.00 0.00 174.74 172.02 3f1w n PRO 191 N -1.66 0.82 -0.00 -0.38 -0.02 -0.68 -3.05 135.00 130.01 3f1w n PRO 191 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3f1w n PRO 191 Cb 0.63 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 33.19 3f1w n PRO 191 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f1w n GLU 192 N -1.04 1.05 -0.00 -0.52 1.02 -1.26 -2.30 120.64 117.59 3f1w n GLU 192 Ca 0.20 -0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.36 3f1w n GLU 192 Cb 0.12 -1.32 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 3f1w n GLU 192 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3f1w n THR 193 N -0.73 0.00 -1.20 2.62 -2.24 -1.17 -4.47 114.28 107.09 3f1w n THR 193 Ca 0.15 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3f1w n THR 193 Cb 0.09 0.74 0.10 0.00 -2.10 0.00 0.00 70.33 69.16 3f1w n THR 193 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f1w s SER 194 N -3.26 4.23 -0.20 3.42 1.04 -0.97 -4.66 113.70 113.30 3f1w s SER 194 Ca 0.03 1.94 0.01 0.00 0.48 0.00 0.00 55.95 58.42 3f1w s SER 194 Cb 0.14 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.76 3f1w s SER 194 CO 0.82 -2.22 -0.15 -0.63 0.98 0.00 0.00 173.24 172.03 3f1w s ILE 195 N -2.76 1.94 -0.11 -1.02 1.01 -0.64 -4.41 121.20 115.21 3f1w s ILE 195 Ca 0.63 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3f1w s ILE 195 Cb -0.19 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3f1w s ILE 195 CO 0.54 0.34 0.03 -0.54 0.00 0.00 0.00 174.94 175.31 3f1w s LYS 196 N 1.30 3.22 -0.18 2.79 1.02 -0.88 -1.83 119.74 125.17 3f1w s LYS 196 Ca 0.01 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 3f1w s LYS 196 Cb -0.15 -2.91 0.08 0.00 -0.52 0.00 0.00 37.83 34.33 3f1w s LYS 196 CO -0.10 0.63 0.21 -1.17 -0.92 0.00 0.00 175.35 174.00 3f1w s LEU 197 N -0.66 -0.10 -0.16 3.17 1.98 -1.26 -1.38 118.68 120.27 3f1w s LEU 197 Ca 0.11 -0.07 -0.01 0.00 -2.89 0.00 0.00 54.13 51.26 3f1w s LEU 197 Cb -0.12 0.37 -0.01 0.00 0.66 0.00 0.00 46.19 47.08 3f1w s LEU 197 CO 0.02 -0.31 -0.10 -0.70 -1.89 0.00 0.00 176.35 173.38 3f1w s GLU 198 N 2.32 3.40 -0.16 1.98 2.12 0.10 -4.97 118.70 123.50 3f1w s GLU 198 Ca 0.05 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.73 3f1w s GLU 198 Cb -0.15 -2.76 0.03 0.00 0.26 0.00 0.00 34.13 31.51 3f1w s GLU 198 CO -0.11 0.10 -0.12 1.41 -0.54 0.00 0.00 175.26 176.00 3f1w s MET 199 N 0.66 2.14 -0.04 4.30 1.75 -1.26 -0.30 119.30 126.55 3f1w s MET 199 Ca -0.05 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 53.79 3f1w s MET 199 Cb -0.15 -2.12 -0.00 0.00 2.84 0.00 0.00 34.83 35.39 3f1w s MET 199 CO 0.02 -0.29 -0.02 -0.44 -0.65 0.00 0.00 175.02 173.65 3f1w h ASP 200 N 8.05 0.00 -3.85 1.11 5.19 -1.33 -3.48 116.42 122.11 3f1w h ASP 200 Ca -0.35 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.38 3f1w h ASP 200 Cb 1.13 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.43 3f1w h ASP 200 CO 0.50 0.21 -0.79 -1.10 -3.12 0.00 0.00 179.24 174.95 3f1w s GLN 201 N -1.27 2.10 0.53 3.56 -1.52 -0.93 -5.06 119.66 117.06 3f1w s GLN 201 Ca -0.01 -0.98 -0.19 0.00 -1.95 0.00 0.00 55.36 52.22 3f1w s GLN 201 Cb 0.00 -2.23 -0.07 0.00 -0.22 0.00 0.00 33.01 30.50 3f1w s GLN 201 CO 0.02 0.54 1.07 -1.25 -0.25 0.00 0.00 175.29 175.42 3f1w s PRO 202 N -1.61 3.56 0.01 2.91 0.04 -1.26 -4.30 135.00 134.35 3f1w s PRO 202 Ca 0.16 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.61 3f1w s PRO 202 Cb -0.11 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3f1w s PRO 202 CO 0.07 -0.64 -0.04 0.14 0.04 0.00 0.00 177.00 176.57 3f1w s VAL 203 N -2.03 0.31 -0.38 -0.36 -7.23 -1.03 -4.93 120.40 104.75 3f1w s VAL 203 Ca 0.68 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 60.46 3f1w s VAL 203 Cb -0.18 -0.31 0.15 0.00 0.56 0.00 0.00 36.38 36.59 3f1w s VAL 203 CO 0.26 -0.07 0.27 -0.62 -0.31 0.00 0.00 175.10 174.62 3f1w s ASP 204 N -0.51 2.39 0.23 4.85 -1.08 -1.26 -0.54 116.67 120.75 3f1w s ASP 204 Ca -0.03 -2.57 0.12 0.00 -0.52 0.00 0.00 52.55 49.55 3f1w s ASP 204 Cb -0.04 -0.45 -0.05 0.00 -1.46 0.00 0.00 42.92 40.93 3f1w s ASP 204 CO -0.00 -0.25 -0.21 -0.76 0.52 0.00 0.00 175.17 174.47 3f1w s LEU 205 N 0.62 2.54 -0.01 -1.34 1.43 0.01 -4.95 118.68 116.97 3f1w s LEU 205 Ca 0.24 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3f1w s LEU 205 Cb -0.12 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 3f1w s LEU 205 CO -0.08 0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.54 3f1w s THR 206 N -2.03 1.22 0.09 5.49 2.01 -1.26 0.43 115.64 121.60 3f1w s THR 206 Ca 0.25 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3f1w s THR 206 Cb -0.07 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3f1w s THR 206 CO 0.12 0.32 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.89 3f1w s PHE 207 N -0.40 1.19 0.09 4.92 0.40 0.99 0.90 117.98 126.08 3f1w s PHE 207 Ca 0.06 -0.56 -0.31 0.00 -0.60 0.00 0.00 56.93 55.52 3f1w s PHE 207 Cb -0.06 -0.65 -0.10 0.00 0.51 0.00 0.00 43.02 42.72 3f1w s PHE 207 CO -0.00 0.06 1.82 0.20 0.70 0.00 0.00 175.22 177.99 3f1w s GLY 208 N -2.21 1.40 0.51 4.36 0.00 -1.26 -0.57 107.32 109.56 3f1w s GLY 208 Ca 0.04 1.37 0.29 0.00 0.00 0.00 0.00 44.72 46.42 3f1w s GLY 208 CO 0.02 3.16 2.00 0.00 0.00 0.00 0.00 173.10 178.27 3f1w h ALA 209 N 8.93 1.11 -0.40 3.20 0.00 -1.56 -2.49 119.26 128.05 3f1w h ALA 209 Ca -0.46 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 3f1w h ALA 209 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3f1w h ALA 209 CO 0.94 0.15 -0.13 1.57 0.00 0.00 0.00 179.25 181.79 3f1w h LYS 210 N 0.00 0.71 0.20 0.00 2.10 -1.90 -2.06 116.57 115.63 3f1w h LYS 210 Ca -0.00 -0.23 -0.31 0.00 -2.00 0.00 0.00 60.65 58.10 3f1w h LYS 210 Cb 0.48 -0.06 0.03 0.00 -0.90 0.00 0.00 32.23 31.79 3f1w h LYS 210 CO 0.02 0.81 -1.35 1.88 -2.00 0.00 0.00 179.45 178.80 3f1w h TYR 211 N 0.64 0.98 -0.92 0.07 0.05 -1.85 -2.83 116.97 113.12 3f1w h TYR 211 Ca 0.11 -0.67 0.18 0.00 0.05 0.00 0.00 58.73 58.39 3f1w h TYR 211 Cb 0.58 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.19 3f1w h TYR 211 CO 0.03 1.52 0.59 -0.07 -1.05 0.00 0.00 178.16 179.18 3f1w h LEU 212 N 0.16 0.57 -0.55 3.88 3.38 -1.45 0.74 115.31 122.03 3f1w h LEU 212 Ca -0.23 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3f1w h LEU 212 Cb 2.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 3f1w h LEU 212 CO 0.26 0.24 0.17 -0.07 0.09 0.00 0.00 178.44 179.13 3f1w h LEU 213 N 0.58 0.80 0.01 1.67 3.38 -1.13 -1.49 115.31 119.12 3f1w h LEU 213 Ca 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3f1w h LEU 213 Cb 0.96 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3f1w h LEU 213 CO -0.22 0.80 -0.02 0.44 0.09 0.00 0.00 178.44 179.53 3f1w h ASP 214 N 0.76 -0.05 -0.97 -0.43 3.32 -1.07 -3.19 116.42 114.79 3f1w h ASP 214 Ca 0.18 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.34 3f1w h ASP 214 Cb 0.29 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 3f1w h ASP 214 CO -0.00 -0.03 0.62 0.40 -1.72 0.00 0.00 179.24 178.50 3f1w h ILE 215 N -0.04 0.94 0.00 0.35 2.04 -0.43 -2.16 117.51 118.22 3f1w h ILE 215 Ca 0.01 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3f1w h ILE 215 Cb 0.04 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 3f1w h ILE 215 CO -0.01 0.18 0.00 2.30 0.00 0.00 0.00 178.15 180.61 3f1w n ILE 216 N -4.58 0.00 1.64 -0.67 -5.35 -0.60 -2.68 119.36 107.13 3f1w n ILE 216 Ca 0.17 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.74 3f1w n ILE 216 Cb 0.33 -0.41 0.41 0.00 -1.74 0.00 0.00 39.64 38.23 3f1w n ILE 216 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3f1w n LYS 217 N -0.91 1.32 0.00 6.28 2.85 -0.81 -2.32 118.16 124.57 3f1w n LYS 217 Ca 0.20 -0.49 0.14 0.00 -1.05 0.00 0.00 58.31 57.11 3f1w n LYS 217 Cb 0.09 -1.30 0.60 0.00 -0.65 0.00 0.00 35.03 33.76 3f1w n LYS 217 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3f1w n GLY 218 N 0.91 -0.70 0.31 2.58 0.00 -1.09 -4.01 105.19 103.19 3f1w n GLY 218 Ca 0.13 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3f1w n GLY 218 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f1w h SER 219 N 0.98 0.00 0.66 1.61 0.02 -1.70 -0.74 113.55 114.37 3f1w h SER 219 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3f1w h SER 219 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3f1w h SER 219 CO 0.00 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 3f1w n SER 220 N -3.92 0.00 0.01 3.07 3.41 -1.26 -2.66 113.62 112.27 3f1w n SER 220 Ca -0.01 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 3f1w n SER 220 Cb 0.21 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.54 3f1w n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f1w n LEU 221 N -1.50 0.35 -3.71 1.04 4.77 -0.28 -4.97 117.00 112.70 3f1w n LEU 221 Ca 0.05 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3f1w n LEU 221 Cb 0.22 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3f1w n LEU 221 CO 0.18 0.03 0.11 -0.55 -1.33 0.00 0.00 177.39 175.82 3f1w s SER 222 N -4.26 -0.50 0.42 -1.43 0.15 -1.09 -4.78 113.70 102.22 3f1w s SER 222 Ca -0.03 0.91 0.14 0.00 0.70 0.00 0.00 55.95 57.68 3f1w s SER 222 Cb 0.14 0.88 1.02 0.00 -1.71 0.00 0.00 66.02 66.35 3f1w s SER 222 CO 0.87 -0.17 1.94 0.44 1.20 0.00 0.00 173.24 177.52 3f1w h ASP 223 N 6.03 0.41 -3.19 5.45 3.32 -1.92 -3.42 116.42 123.10 3f1w h ASP 223 Ca -0.30 0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.31 3f1w h ASP 223 Cb 1.18 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 3f1w h ASP 223 CO 0.25 0.23 -0.70 -0.13 -1.72 0.00 0.00 179.24 177.17 3f1w s ARG 224 N -5.43 1.42 -0.01 3.56 0.52 -1.26 -0.00 118.95 117.74 3f1w s ARG 224 Ca -0.08 -1.68 0.03 0.00 -0.52 0.00 0.00 55.73 53.48 3f1w s ARG 224 Cb 0.21 -1.05 -0.01 0.00 0.52 0.00 0.00 34.95 34.62 3f1w s ARG 224 CO 0.76 0.08 -0.11 0.54 0.02 0.00 0.00 175.30 176.59 3f1w s VAL 225 N -3.06 0.86 0.00 3.52 0.11 -0.19 -4.55 120.40 117.08 3f1w s VAL 225 Ca 0.26 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3f1w s VAL 225 Cb 0.02 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3f1w s VAL 225 CO 0.09 0.25 0.02 -0.83 -3.33 0.00 0.00 175.10 171.30 3f1w s GLY 226 N -0.13 1.91 -0.05 6.54 0.00 0.23 -1.57 107.32 114.25 3f1w s GLY 226 Ca 0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 3f1w s GLY 226 CO -0.00 -0.81 0.06 -0.42 0.00 0.00 0.00 173.10 171.93 3f1w s ILE 227 N -1.12 -0.09 -0.14 0.90 1.01 0.16 -0.31 121.20 121.61 3f1w s ILE 227 Ca 0.21 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 3f1w s ILE 227 Cb -0.12 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 3f1w s ILE 227 CO 0.11 0.16 -0.08 -0.13 0.00 0.00 0.00 174.94 175.01 3f1w s ARG 228 N 2.16 3.54 -0.01 2.79 0.52 0.06 -1.72 118.95 126.29 3f1w s ARG 228 Ca 0.05 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 3f1w s ARG 228 Cb -0.12 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 3f1w s ARG 228 CO -0.03 0.24 -0.22 -0.51 0.02 0.00 0.00 175.30 174.80 3f1w s LEU 229 N 0.33 2.05 0.04 2.53 1.43 -0.40 -1.06 118.68 123.59 3f1w s LEU 229 Ca -0.07 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3f1w s LEU 229 Cb -0.15 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 3f1w s LEU 229 CO 0.04 0.26 -0.06 -0.44 0.23 0.00 0.00 176.35 176.38 3f1w s SER 230 N -0.56 0.72 0.24 2.29 0.01 -1.26 -0.46 113.70 114.68 3f1w s SER 230 Ca 0.08 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 3f1w s SER 230 Cb -0.08 0.06 0.29 0.00 0.21 0.00 0.00 66.02 66.50 3f1w s SER 230 CO -0.01 -0.27 1.88 0.28 0.41 0.00 0.00 173.24 175.54 3f1w h SER 231 N 4.34 0.96 -0.28 2.44 0.02 -1.98 -3.21 113.55 115.86 3f1w h SER 231 Ca -0.35 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.49 3f1w h SER 231 Cb 1.20 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 3f1w h SER 231 CO 0.44 0.65 -0.09 -0.62 -1.14 0.00 0.00 176.83 176.07 3f1w n GLU 232 N -4.53 2.01 -3.79 3.45 -0.58 -1.26 -5.02 120.64 110.92 3f1w n GLU 232 Ca 0.12 -3.07 -0.12 0.00 -0.42 0.00 0.00 57.16 53.67 3f1w n GLU 232 Cb 0.10 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 3f1w n GLU 232 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3f1w s ALA 233 N -3.13 -0.58 0.24 0.62 0.00 -1.21 -5.13 121.76 112.57 3f1w s ALA 233 Ca 0.43 -0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 3f1w s ALA 233 Cb 0.38 0.23 -0.14 0.00 0.00 0.00 0.00 23.12 23.59 3f1w s ALA 233 CO 0.01 -0.34 1.28 -2.30 0.00 0.00 0.00 175.76 174.41 3f1w n PRO 234 N 0.87 1.75 -2.37 0.00 -0.02 -1.26 -4.42 135.00 129.54 3f1w n PRO 234 Ca -0.20 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 3f1w n PRO 234 Cb 0.58 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3f1w n PRO 234 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1w s ALA 235 N -0.36 2.86 -0.26 3.55 0.00 0.94 -4.70 121.76 123.79 3f1w s ALA 235 Ca 0.66 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.39 3f1w s ALA 235 Cb -0.69 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.13 3f1w s ALA 235 CO 0.53 -0.56 -0.05 -1.17 0.00 0.00 0.00 175.76 174.52 3f1w s LEU 236 N -3.39 3.41 -0.19 0.00 0.20 -0.23 -0.53 118.68 117.96 3f1w s LEU 236 Ca 0.67 -1.03 -0.07 0.00 0.69 0.00 0.00 54.13 54.39 3f1w s LEU 236 Cb -0.23 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 3f1w s LEU 236 CO 0.27 -0.17 0.05 -0.36 -0.29 0.00 0.00 176.35 175.85 3f1w s PHE 237 N 1.28 3.19 -0.02 5.38 0.40 0.38 -0.76 117.98 127.83 3f1w s PHE 237 Ca -0.02 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 3f1w s PHE 237 Cb -0.18 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.27 3f1w s PHE 237 CO -0.04 0.05 -0.07 -1.14 0.70 0.00 0.00 175.22 174.72 3f1w s GLN 238 N 0.56 0.79 -0.26 0.44 0.74 0.57 -0.29 119.66 122.21 3f1w s GLN 238 Ca 0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.18 3f1w s GLN 238 Cb -0.13 -0.76 0.02 0.00 1.10 0.00 0.00 33.01 33.24 3f1w s GLN 238 CO 0.01 0.06 -0.04 -0.06 -0.55 0.00 0.00 175.29 174.72 3f1w s PHE 239 N 0.30 3.08 0.24 1.67 0.08 -0.47 -0.60 117.98 122.27 3f1w s PHE 239 Ca -0.04 -1.44 -0.30 0.00 0.12 0.00 0.00 56.93 55.27 3f1w s PHE 239 Cb -0.09 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.18 3f1w s PHE 239 CO 0.00 -0.70 1.17 -0.51 -0.10 0.00 0.00 175.22 175.09 3f1w s ASP 240 N 1.36 7.12 0.64 1.36 1.11 -1.26 -1.21 116.67 125.79 3f1w s ASP 240 Ca 0.01 2.30 0.02 0.00 0.18 0.00 0.00 52.55 55.06 3f1w s ASP 240 Cb -0.17 -2.62 0.10 0.00 1.07 0.00 0.00 42.92 41.30 3f1w s ASP 240 CO -0.03 -0.30 0.89 -0.76 1.18 0.00 0.00 175.17 176.15 3f1w s LEU 241 N -0.86 3.09 0.18 1.23 1.43 -0.56 -4.58 118.68 118.61 3f1w s LEU 241 Ca 0.49 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.05 3f1w s LEU 241 Cb -0.33 -2.09 0.17 0.00 0.03 0.00 0.00 46.19 43.96 3f1w s LEU 241 CO 0.40 -1.57 1.73 0.50 0.23 0.00 0.00 176.35 177.64 3f1w h LYS 242 N -0.21 0.26 -3.40 1.70 3.64 -1.94 -3.34 116.57 113.27 3f1w h LYS 242 Ca -0.36 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.49 3f1w h LYS 242 Cb 1.28 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 3f1w h LYS 242 CO 0.43 0.17 -0.76 0.45 -2.27 0.00 0.00 179.45 177.47 3f1w s SER 243 N -5.33 2.89 0.00 4.20 0.15 -1.26 -4.93 113.70 109.41 3f1w s SER 243 Ca -0.13 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.67 3f1w s SER 243 Cb 0.15 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3f1w s SER 243 CO 0.72 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.45 3f1w n GLY 244 N 5.10 0.26 3.62 9.45 0.00 -1.26 -0.01 105.19 122.35 3f1w n GLY 244 Ca -0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 3f1w n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f1w s PHE 245 N -0.08 -0.02 -0.17 1.61 -0.12 -0.17 -1.50 117.98 117.53 3f1w s PHE 245 Ca 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3f1w s PHE 245 Cb 0.00 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 3f1w s PHE 245 CO 0.00 -0.05 -0.12 -1.17 -0.05 0.00 0.00 175.22 173.83 3f1w s LEU 246 N -2.23 2.64 0.13 -1.99 2.96 -0.35 -1.66 118.68 118.18 3f1w s LEU 246 Ca 0.12 -0.41 0.11 0.00 -0.22 0.00 0.00 54.13 53.72 3f1w s LEU 246 Cb 0.01 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3f1w s LEU 246 CO -0.03 0.08 -0.26 0.00 -1.32 0.00 0.00 176.35 174.81 3f1w s GLN 247 N 0.87 1.42 -0.17 1.98 -2.07 0.14 -1.36 119.66 120.47 3f1w s GLN 247 Ca -0.03 -1.34 0.01 0.00 -1.82 0.00 0.00 55.36 52.17 3f1w s GLN 247 Cb -0.15 -1.91 0.03 0.00 -1.09 0.00 0.00 33.01 29.89 3f1w s GLN 247 CO -0.00 0.45 -0.13 -0.06 -1.32 0.00 0.00 175.29 174.23 3f1w s PHE 248 N -1.07 2.36 -0.24 9.60 0.40 0.60 -0.85 117.98 128.78 3f1w s PHE 248 Ca 0.14 -1.44 -0.14 0.00 -0.60 0.00 0.00 56.93 54.89 3f1w s PHE 248 Cb -0.10 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 3f1w s PHE 248 CO 0.06 -0.72 0.32 -0.06 0.70 0.00 0.00 175.22 175.52 3f1w s PHE 249 N 1.42 3.30 -0.08 0.36 0.08 0.62 -0.47 117.98 123.21 3f1w s PHE 249 Ca 0.02 0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.50 3f1w s PHE 249 Cb -0.14 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.85 3f1w s PHE 249 CO -0.10 -0.08 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.64 3f1w s LEU 250 N 1.56 1.64 0.05 -0.37 2.96 0.31 -0.91 118.68 123.91 3f1w s LEU 250 Ca 0.14 -0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.42 3f1w s LEU 250 Cb -0.15 -0.89 -0.06 0.00 0.50 0.00 0.00 46.19 45.59 3f1w s LEU 250 CO 0.08 0.02 1.34 0.00 -1.32 0.00 0.00 176.35 176.47 3f1w s ALA 251 N 0.77 3.53 0.55 5.97 0.00 0.11 -0.04 121.76 132.65 3f1w s ALA 251 Ca -0.12 0.93 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 3f1w s ALA 251 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3f1w s ALA 251 CO 0.02 -0.69 1.19 -2.14 0.00 0.00 0.00 175.76 174.14 3f1w s PRO 252 N 1.65 3.27 0.18 0.00 0.02 -1.26 -4.76 135.00 134.10 3f1w s PRO 252 Ca 0.62 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 3f1w s PRO 252 Cb -0.32 -2.09 -0.08 0.00 0.02 0.00 0.00 34.50 32.03 3f1w s PRO 252 CO 0.28 -0.96 1.25 0.15 -0.33 0.00 0.00 177.00 177.39 3f1w s LYS 253 N -3.14 4.44 0.00 5.54 3.01 0.26 -4.97 119.74 124.88 3f1w s LYS 253 Ca 0.73 1.95 0.15 0.00 -1.01 0.00 0.00 55.97 57.78 3f1w s LYS 253 Cb -0.29 -3.23 0.88 0.00 -1.01 0.00 0.00 37.83 34.19 3f1w s LYS 253 CO 0.33 -0.17 1.30 0.34 0.51 0.00 0.00 175.35 177.66