#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3f s SER 2 N 0.00 -0.69 -0.20 1.61 1.04 -1.26 -5.05 113.70 109.16 1v3f s SER 2 Ca 0.00 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1v3f s SER 2 Cb 0.00 1.61 0.01 0.00 0.10 0.00 0.00 66.02 67.74 1v3f s SER 2 CO 0.00 -0.13 0.07 -1.20 0.98 0.00 0.00 173.24 172.97 1v3f n SER 3 N 5.37 -4.26 0.00 7.02 7.64 -1.26 -4.98 113.62 123.16 1v3f n SER 3 Ca -0.06 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1v3f n SER 3 Cb 0.53 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1v3f n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v3f n GLY 4 N 0.82 -0.07 0.20 0.23 0.00 -1.26 -4.96 105.19 100.15 1v3f n GLY 4 Ca -0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 1v3f n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v3f n SER 5 N 0.00 -0.51 -3.37 1.61 3.41 -1.26 -4.67 113.62 108.82 1v3f n SER 5 Ca 0.00 1.35 -0.21 0.00 -0.26 0.00 0.00 58.87 59.75 1v3f n SER 5 Cb 0.00 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 1v3f n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v3f n SER 6 N -4.09 -1.31 0.00 4.04 2.88 -1.26 -3.99 113.62 109.88 1v3f n SER 6 Ca 0.01 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1v3f n SER 6 Cb 0.13 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1v3f n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v3f n GLY 7 N -0.76 0.20 0.19 0.46 0.00 -1.26 -4.91 105.19 99.11 1v3f n GLY 7 Ca 0.06 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1v3f n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v3f h LEU 8 N 0.00 0.00 0.08 0.99 3.38 -1.95 -2.96 115.31 114.85 1v3f h LEU 8 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v3f h LEU 8 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v3f h LEU 8 CO 0.00 0.00 -0.04 -0.74 0.09 0.00 0.00 178.44 177.75 1v3f h HIS 9 N 0.00 -0.10 0.00 1.13 2.76 -1.91 0.24 115.15 117.27 1v3f h HIS 9 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1v3f h HIS 9 Cb 0.97 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 1v3f h HIS 9 CO 0.00 0.43 -0.12 0.07 -1.30 0.00 0.00 177.93 177.01 1v3f h ARG 10 N -0.74 0.00 0.02 5.26 -0.00 -1.93 0.65 114.38 117.64 1v3f h ARG 10 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1v3f h ARG 10 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1v3f h ARG 10 CO 0.02 0.12 -0.01 0.82 -0.00 0.00 0.00 179.97 180.92 1v3f h ILE 11 N 0.00 1.47 -0.46 0.08 2.04 -1.49 -2.58 117.51 116.57 1v3f h ILE 11 Ca -0.00 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.35 1v3f h ILE 11 Cb 0.21 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 1v3f h ILE 11 CO 0.02 0.40 0.20 0.58 0.00 0.00 0.00 178.15 179.34 1v3f h VAL 12 N -0.70 0.91 -0.51 1.67 2.07 -0.53 0.66 116.25 119.83 1v3f h VAL 12 Ca -0.00 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1v3f h VAL 12 Cb 0.66 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1v3f h VAL 12 CO 0.00 0.07 0.06 0.44 0.02 0.00 0.00 177.57 178.17 1v3f h ASP 13 N 0.40 -0.09 -0.72 0.57 3.32 -0.93 0.86 116.42 119.84 1v3f h ASP 13 Ca 0.21 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1v3f h ASP 13 Cb 0.16 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1v3f h ASP 13 CO -0.18 -0.02 0.46 0.50 -1.72 0.00 0.00 179.24 178.29 1v3f h LYS 14 N 0.18 0.96 0.00 3.56 3.64 -0.86 -1.08 116.57 122.97 1v3f h LYS 14 Ca 0.26 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1v3f h LYS 14 Cb 0.37 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1v3f h LYS 14 CO -0.37 0.65 -0.25 0.52 -2.27 0.00 0.00 179.45 177.72 1v3f h MET 15 N 0.98 0.00 0.00 1.90 2.86 0.13 -1.69 114.93 119.11 1v3f h MET 15 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1v3f h MET 15 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1v3f h MET 15 CO -0.05 0.25 0.00 0.72 1.06 0.00 0.00 176.91 178.89 1v3f n HIS 16 N -3.74 0.44 -3.01 -0.22 8.25 0.28 -3.88 115.22 113.34 1v3f n HIS 16 Ca -0.01 0.20 -0.20 0.00 -0.26 0.00 0.00 57.72 57.44 1v3f n HIS 16 Cb 0.36 -0.82 0.01 0.00 1.12 0.00 0.00 29.99 30.67 1v3f n HIS 16 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1v3f s ASP 17 N -3.66 5.68 -0.06 0.41 -1.08 -0.64 -5.03 116.67 112.29 1v3f s ASP 17 Ca 0.02 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.08 1v3f s ASP 17 Cb 0.07 -1.13 -0.08 0.00 -1.46 0.00 0.00 42.92 40.32 1v3f s ASP 17 CO 0.24 -0.77 0.02 1.07 0.52 0.00 0.00 175.17 176.25 1v3f n THR 18 N -2.01 0.42 0.03 1.71 5.66 -1.26 -3.49 114.28 115.34 1v3f n THR 18 Ca 0.04 -0.26 -0.01 0.00 -3.05 0.00 0.00 64.05 60.77 1v3f n THR 18 Cb 0.59 -0.84 -0.01 0.00 -1.55 0.00 0.00 70.33 68.52 1v3f n THR 18 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1v3f h SER 19 N 0.00 -0.08 -0.35 1.09 0.02 -1.93 -3.35 113.55 108.96 1v3f h SER 19 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1v3f h SER 19 Cb 1.38 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1v3f h SER 19 CO 0.01 -0.04 0.00 0.35 -1.14 0.00 0.00 176.83 176.01 1v3f n THR 20 N -2.33 0.46 -3.29 -2.27 -2.24 -1.26 -4.95 114.28 98.40 1v3f n THR 20 Ca -0.01 -0.73 -0.19 0.00 -2.27 0.00 0.00 64.05 60.85 1v3f n THR 20 Cb 0.04 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 1v3f n THR 20 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1v3f s GLY 21 N -1.50 2.04 0.83 3.38 0.00 -1.21 -4.86 107.32 105.99 1v3f s GLY 21 Ca 0.37 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 1v3f s GLY 21 CO 0.31 -1.61 -0.55 4.51 0.00 0.00 0.00 173.10 175.76 1v3f n ILE 22 N -1.73 0.02 -3.69 0.90 0.13 -1.23 -4.47 119.36 109.29 1v3f n ILE 22 Ca 0.06 -0.50 -0.29 0.00 -1.10 0.00 0.00 62.75 60.92 1v3f n ILE 22 Cb 0.61 -0.01 -0.13 0.00 -0.84 0.00 0.00 39.64 39.26 1v3f n ILE 22 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1v3f s ARG 23 N -1.68 1.29 -0.07 9.51 0.52 -1.26 -4.42 118.95 122.83 1v3f s ARG 23 Ca 0.46 -2.05 -0.19 0.00 -0.52 0.00 0.00 55.73 53.43 1v3f s ARG 23 Cb -0.29 -2.29 -0.15 0.00 0.52 0.00 0.00 34.95 32.74 1v3f s ARG 23 CO 0.77 -1.18 0.73 -1.00 0.02 0.00 0.00 175.30 174.63 1v3f h PRO 24 N 6.61 -0.15 -3.87 3.54 0.13 -1.93 -3.45 132.00 132.87 1v3f h PRO 24 Ca 0.02 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1v3f h PRO 24 Cb 0.92 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1v3f h PRO 24 CO 0.48 0.30 -0.92 0.43 -0.23 0.00 0.00 178.00 178.06 1v3f n SER 25 N -4.86 -9.03 -3.25 1.44 7.64 -1.26 -4.50 113.62 99.80 1v3f n SER 25 Ca -0.07 1.28 -0.30 0.00 1.01 0.00 0.00 58.87 60.79 1v3f n SER 25 Cb 0.26 -4.81 -0.02 0.00 -1.01 0.00 0.00 64.21 58.63 1v3f n SER 25 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1v3f n PRO 26 N 0.11 2.75 -2.99 1.43 -0.04 -1.26 -4.58 135.00 130.42 1v3f n PRO 26 Ca 0.00 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.24 1v3f n PRO 26 Cb 0.00 -2.62 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 1v3f n PRO 26 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1v3f s ASN 27 N 2.93 6.53 -0.39 3.54 2.47 -1.26 -4.96 114.94 123.80 1v3f s ASN 27 Ca 0.53 0.32 -0.38 0.00 0.42 0.00 0.00 52.86 53.75 1v3f s ASN 27 Cb 0.14 -2.38 -0.14 0.00 -1.45 0.00 0.00 41.25 37.41 1v3f s ASN 27 CO -0.04 -0.69 2.15 0.23 -3.72 0.00 0.00 177.10 175.03 1v3f n MET 28 N 6.32 0.73 0.00 0.43 2.81 -1.26 -4.80 117.12 121.36 1v3f n MET 28 Ca 0.02 0.20 -0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1v3f n MET 28 Cb 0.48 -2.13 -0.00 0.00 -0.71 0.00 0.00 33.22 30.86 1v3f n MET 28 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1v3f h GLU 29 N 11.04 -0.01 -0.04 0.03 4.22 -1.93 -3.44 114.58 124.45 1v3f h GLU 29 Ca -0.23 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.04 1v3f h GLU 29 Cb 1.35 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.43 1v3f h GLU 29 CO 1.04 -0.01 -0.35 0.00 -2.18 0.00 0.00 179.01 177.51 1v3f n GLN 30 N -2.04 1.40 0.00 1.92 10.64 -1.26 -5.09 117.38 122.95 1v3f n GLN 30 Ca -0.00 -1.42 0.00 0.00 -1.83 0.00 0.00 57.00 53.75 1v3f n GLN 30 Cb 0.00 0.24 0.00 0.00 -0.86 0.00 0.00 30.24 29.63 1v3f n GLN 30 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1v3f n GLY 31 N -1.47 3.01 1.29 2.61 0.00 -1.26 -5.14 105.19 104.24 1v3f n GLY 31 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1v3f n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v3f n SER 32 N 0.00 -7.01 -4.75 1.61 7.64 -1.26 -4.83 113.62 105.02 1v3f n SER 32 Ca 0.00 1.43 -0.41 0.00 1.01 0.00 0.00 58.87 60.90 1v3f n SER 32 Cb 0.00 -3.94 -0.04 0.00 -1.01 0.00 0.00 64.21 59.22 1v3f n SER 32 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1v3f s THR 33 N -4.74 3.48 -0.53 0.44 2.01 -1.26 -4.34 115.64 110.71 1v3f s THR 33 Ca 0.00 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1v3f s THR 33 Cb 0.00 -3.86 0.50 0.00 0.01 0.00 0.00 72.50 69.16 1v3f s THR 33 CO 0.00 0.26 1.95 -1.22 -0.69 0.00 0.00 174.62 174.92 1v3f n TYR 34 N 1.93 2.91 -3.65 4.92 4.02 -1.26 -5.04 117.16 120.99 1v3f n TYR 34 Ca 0.02 -2.37 0.00 0.00 -0.01 0.00 0.00 57.90 55.54 1v3f n TYR 34 Cb 0.44 -1.16 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1v3f n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1v3f n LYS 35 N -0.86 0.00 -1.87 -0.72 5.02 -1.26 -4.13 118.16 114.34 1v3f n LYS 35 Ca 0.57 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.48 1v3f n LYS 35 Cb 1.07 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.05 1v3f n LYS 35 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1v3f s LYS 36 N 0.00 2.47 -0.02 1.97 -2.85 -1.26 -4.69 119.74 115.36 1v3f s LYS 36 Ca 0.00 0.92 0.01 0.00 -1.00 0.00 0.00 55.97 55.89 1v3f s LYS 36 Cb 0.00 -4.45 0.02 0.00 -2.06 0.00 0.00 37.83 31.34 1v3f s LYS 36 CO 0.00 -2.89 -0.01 0.95 0.10 0.00 0.00 175.35 173.49 1v3f s THR 37 N 10.09 0.21 -0.09 3.79 -4.23 -1.26 -4.45 115.64 119.70 1v3f s THR 37 Ca 0.78 -0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1v3f s THR 37 Cb -0.15 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1v3f s THR 37 CO 0.23 0.12 -0.22 0.72 -0.54 0.00 0.00 174.62 174.93 1v3f s PHE 38 N 0.59 2.33 0.86 3.99 -0.12 -0.80 -4.31 117.98 120.51 1v3f s PHE 38 Ca -0.06 -0.94 -0.16 0.00 -0.05 0.00 0.00 56.93 55.72 1v3f s PHE 38 Cb -0.09 -1.57 -0.09 0.00 -0.63 0.00 0.00 43.02 40.63 1v3f s PHE 38 CO -0.01 -0.39 -0.22 1.28 -0.05 0.00 0.00 175.22 175.83 1v3f n LEU 39 N 3.57 -3.32 0.01 -1.99 4.77 -1.26 -2.61 117.00 116.18 1v3f n LEU 39 Ca -0.20 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1v3f n LEU 39 Cb 0.53 -0.94 0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1v3f n LEU 39 CO 0.27 -4.86 0.47 1.23 -1.33 0.00 0.00 177.39 173.18 1v3f h GLY 40 N -0.83 0.59 1.47 -0.72 0.00 0.20 -2.45 103.07 101.32 1v3f h GLY 40 Ca -0.44 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.07 1v3f h GLY 40 CO 0.32 0.62 -0.39 1.76 0.00 0.00 0.00 176.54 178.85 1v3f h SER 41 N 0.41 0.62 -0.54 0.19 0.02 -0.93 -2.07 113.55 111.24 1v3f h SER 41 Ca 0.00 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1v3f h SER 41 Cb 1.11 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1v3f h SER 41 CO 0.11 0.94 0.10 0.28 -1.14 0.00 0.00 176.83 177.12 1v3f h SER 42 N 0.49 0.85 0.00 3.07 0.02 -1.78 -2.61 113.55 113.59 1v3f h SER 42 Ca 0.04 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1v3f h SER 42 Cb 0.89 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1v3f h SER 42 CO 0.08 0.88 0.00 -0.11 -1.14 0.00 0.00 176.83 176.54 1v3f n LEU 43 N -4.38 0.01 -0.08 5.07 0.00 -0.93 -1.58 117.00 115.11 1v3f n LEU 43 Ca 0.02 0.92 -0.02 0.00 0.00 0.00 0.00 56.01 56.93 1v3f n LEU 43 Cb 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 43.42 43.17 1v3f n LEU 43 CO 0.41 -0.49 0.29 0.52 0.00 0.00 0.00 177.39 178.13 1v3f n VAL 44 N -1.96 -0.13 -0.33 1.96 0.31 -0.79 0.16 118.33 117.55 1v3f n VAL 44 Ca 0.00 1.07 -0.07 0.00 -0.01 0.00 0.00 64.34 65.33 1v3f n VAL 44 Cb 0.00 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 1v3f n VAL 44 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1v3f h ASP 45 N 0.00 -1.67 -0.22 4.52 1.82 -1.52 0.16 116.42 119.51 1v3f h ASP 45 Ca 0.03 0.29 0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1v3f h ASP 45 Cb 0.08 0.79 -0.05 0.00 0.68 0.00 0.00 39.33 40.82 1v3f h ASP 45 CO -0.18 -0.29 -0.40 -0.25 -1.61 0.00 0.00 179.24 176.50 1v3f h TRP 46 N -0.09 -1.22 -0.99 0.28 7.01 0.25 0.89 115.95 122.08 1v3f h TRP 46 Ca 0.23 0.05 0.35 0.00 2.11 0.00 0.00 58.89 61.64 1v3f h TRP 46 Cb 0.53 0.56 -0.18 0.00 -2.10 0.00 0.00 29.16 27.97 1v3f h TRP 46 CO -0.86 -0.37 0.32 1.28 -2.79 0.00 0.00 178.44 176.02 1v3f n LEU 47 N -4.64 0.15 0.27 0.65 4.77 0.90 0.21 117.00 119.30 1v3f n LEU 47 Ca -0.03 1.66 -0.13 0.00 -0.03 0.00 0.00 56.01 57.48 1v3f n LEU 47 Cb 0.26 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1v3f n LEU 47 CO 0.03 -1.78 0.36 0.40 -1.33 0.00 0.00 177.39 175.07 1v3f h ILE 48 N 0.00 0.15 -0.76 -0.08 2.04 0.20 0.24 117.51 119.31 1v3f h ILE 48 Ca 0.74 -0.47 0.21 0.00 1.00 0.00 0.00 64.86 66.34 1v3f h ILE 48 Cb 1.80 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1v3f h ILE 48 CO -0.83 0.03 0.54 -1.28 0.00 0.00 0.00 178.15 176.61 1v3f h SER 49 N -1.13 0.04 0.86 1.72 0.87 0.50 1.62 113.55 118.04 1v3f h SER 49 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1v3f h SER 49 Cb 0.60 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1v3f h SER 49 CO 0.12 0.02 0.00 -1.20 -0.53 0.00 0.00 176.83 175.24 1v3f n SER 50 N -4.33 0.50 0.00 6.23 7.64 0.57 -4.85 113.62 119.38 1v3f n SER 50 Ca 0.15 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1v3f n SER 50 Cb 0.80 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1v3f n SER 50 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1v3f n ASN 51 N -2.02 -2.95 0.03 6.43 5.15 0.55 -4.91 115.26 117.55 1v3f n ASN 51 Ca 0.04 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.13 1v3f n ASN 51 Cb 0.27 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 39.00 1v3f n ASN 51 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1v3f n PHE 52 N -3.02 0.31 -4.17 1.20 3.72 0.80 -4.93 117.46 111.38 1v3f n PHE 52 Ca 0.00 0.09 -0.14 0.00 -0.05 0.00 0.00 57.45 57.35 1v3f n PHE 52 Cb 0.01 -0.50 -0.11 0.00 -0.94 0.00 0.00 39.48 37.94 1v3f n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1v3f s ALA 53 N -3.26 1.06 -0.10 4.37 0.00 -0.97 -4.87 121.76 117.99 1v3f s ALA 53 Ca 0.01 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1v3f s ALA 53 Cb 0.14 0.04 -0.24 0.00 0.00 0.00 0.00 23.12 23.06 1v3f s ALA 53 CO 0.82 -0.05 0.45 0.00 0.00 0.00 0.00 175.76 176.98 1v3f n ALA 54 N 0.59 1.42 -3.20 0.00 0.00 -1.26 -4.53 120.51 113.52 1v3f n ALA 54 Ca -0.16 -0.89 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 1v3f n ALA 54 Cb 0.58 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 1v3f n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v3f s SER 55 N -6.09 -0.18 0.50 0.00 0.15 -1.26 -5.00 113.70 101.81 1v3f s SER 55 Ca -0.09 -0.61 0.39 0.00 0.70 0.00 0.00 55.95 56.34 1v3f s SER 55 Cb 0.07 0.56 1.57 0.00 -1.71 0.00 0.00 66.02 66.52 1v3f s SER 55 CO 0.81 -1.05 1.62 0.03 1.20 0.00 0.00 173.24 175.85 1v3f h ARG 56 N 2.26 0.03 0.06 5.44 -0.00 -1.94 0.66 114.38 120.89 1v3f h ARG 56 Ca -0.28 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.19 1v3f h ARG 56 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.22 1v3f h ARG 56 CO 0.38 0.02 -0.03 1.25 0.00 0.00 0.00 179.97 181.60 1v3f h LEU 57 N 0.03 -0.06 -0.96 3.04 7.12 -1.98 0.73 115.31 123.24 1v3f h LEU 57 Ca 0.85 0.00 0.29 0.00 0.13 0.00 0.00 57.88 59.16 1v3f h LEU 57 Cb 3.07 0.02 -0.18 0.00 -0.53 0.00 0.00 40.66 43.03 1v3f h LEU 57 CO -0.22 -0.04 0.13 -0.62 -0.13 0.00 0.00 178.44 177.56 1v3f n GLU 58 N -2.23 -0.07 -0.02 1.25 -0.58 0.14 0.19 120.64 119.31 1v3f n GLU 58 Ca -0.01 1.41 -0.11 0.00 -0.42 0.00 0.00 57.16 58.03 1v3f n GLU 58 Cb 0.03 -2.30 -0.05 0.00 -0.57 0.00 0.00 31.44 28.55 1v3f n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1v3f h ALA 59 N 1.91 0.17 -0.98 0.62 0.00 -1.24 0.67 119.26 120.42 1v3f h ALA 59 Ca 0.63 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.69 1v3f h ALA 59 Cb 1.41 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1v3f h ALA 59 CO -0.86 -0.31 0.61 0.28 0.00 0.00 0.00 179.25 178.97 1v3f h VAL 60 N 0.12 0.71 0.08 0.00 2.07 0.45 1.28 116.25 120.96 1v3f h VAL 60 Ca 0.05 -0.23 -0.27 0.00 0.82 0.00 0.00 66.70 67.07 1v3f h VAL 60 Cb 0.06 -0.02 0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1v3f h VAL 60 CO -0.01 0.12 -1.09 0.00 0.02 0.00 0.00 177.57 176.62 1v3f h THR 61 N 0.67 1.31 -0.16 2.57 1.03 -0.19 -2.37 112.91 115.77 1v3f h THR 61 Ca 0.54 -2.36 -0.05 0.00 -0.01 0.00 0.00 66.41 64.53 1v3f h THR 61 Cb 0.97 2.65 -0.01 0.00 -1.07 0.00 0.00 68.15 70.68 1v3f h THR 61 CO -0.31 0.71 -0.14 -0.07 -0.01 0.00 0.00 175.52 175.71 1v3f h LEU 62 N 0.21 0.24 0.48 0.00 4.07 0.26 0.64 115.31 121.21 1v3f h LEU 62 Ca -0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 1v3f h LEU 62 Cb 1.77 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.45 1v3f h LEU 62 CO 0.21 0.41 -0.23 0.00 -1.08 0.00 0.00 178.44 177.75 1v3f h ALA 63 N 1.62 -0.65 -0.57 1.53 0.00 0.15 -2.42 119.26 118.92 1v3f h ALA 63 Ca 0.05 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1v3f h ALA 63 Cb 0.40 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1v3f h ALA 63 CO 0.02 -0.64 0.40 0.66 0.00 0.00 0.00 179.25 179.70 1v3f h SER 64 N -1.10 0.13 -0.42 0.00 4.64 -1.30 0.17 113.55 115.67 1v3f h SER 64 Ca -0.07 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1v3f h SER 64 Cb 0.56 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1v3f h SER 64 CO 0.11 0.07 0.01 0.24 -0.87 0.00 0.00 176.83 176.39 1v3f h MET 65 N 0.14 0.81 0.01 4.77 2.07 -0.77 -2.40 114.93 119.55 1v3f h MET 65 Ca 0.27 -0.21 -0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1v3f h MET 65 Cb 0.90 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 1v3f h MET 65 CO -0.04 0.81 -0.01 -0.07 1.07 0.00 0.00 176.91 178.67 1v3f h LEU 66 N 0.76 -0.01 -1.41 1.22 3.38 -0.18 -2.22 115.31 116.85 1v3f h LEU 66 Ca 0.15 -0.42 0.24 0.00 0.09 0.00 0.00 57.88 57.94 1v3f h LEU 66 Cb 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1v3f h LEU 66 CO 0.02 0.42 0.65 0.24 0.09 0.00 0.00 178.44 179.86 1v3f h MET 67 N -0.45 0.40 -0.15 1.13 2.86 -1.23 0.14 114.93 117.63 1v3f h MET 67 Ca -0.00 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1v3f h MET 67 Cb 0.44 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1v3f h MET 67 CO 0.00 0.26 -0.22 0.93 1.06 0.00 0.00 176.91 178.95 1v3f h GLU 68 N 0.41 0.42 0.00 1.72 4.39 -1.28 -2.68 114.58 117.55 1v3f h GLU 68 Ca 0.55 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1v3f h GLU 68 Cb 1.38 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1v3f h GLU 68 CO -0.25 0.83 0.00 0.39 -1.16 0.00 0.00 179.01 178.82 1v3f n GLU 69 N -4.47 0.06 -1.36 2.33 -0.58 0.36 -4.77 120.64 112.22 1v3f n GLU 69 Ca -0.06 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1v3f n GLU 69 Cb 0.42 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1v3f n GLU 69 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1v3f n ASN 70 N -1.81 -0.75 -0.09 1.62 5.15 -0.61 -4.93 115.26 113.83 1v3f n ASN 70 Ca -0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1v3f n ASN 70 Cb 0.04 -0.33 -0.15 0.00 -0.53 0.00 0.00 39.78 38.81 1v3f n ASN 70 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1v3f n PHE 71 N -2.76 0.19 -4.22 1.20 3.72 -0.41 -3.32 117.46 111.86 1v3f n PHE 71 Ca 0.00 0.06 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 1v3f n PHE 71 Cb 0.33 -1.03 -0.10 0.00 -0.94 0.00 0.00 39.48 37.74 1v3f n PHE 71 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1v3f s LEU 72 N -5.78 1.25 -0.03 4.37 2.34 -1.24 -0.36 118.68 119.23 1v3f s LEU 72 Ca -0.13 -1.43 -0.20 0.00 0.06 0.00 0.00 54.13 52.43 1v3f s LEU 72 Cb 0.07 0.37 0.04 0.00 -0.56 0.00 0.00 46.19 46.10 1v3f s LEU 72 CO 0.79 -0.85 0.42 0.00 -1.06 0.00 0.00 176.35 175.65 1v3f s ARG 73 N -4.08 0.78 0.04 1.48 3.03 -0.56 -4.16 118.95 115.49 1v3f s ARG 73 Ca 0.39 -0.05 -0.30 0.00 2.03 0.00 0.00 55.73 57.80 1v3f s ARG 73 Cb 0.07 0.36 -0.05 0.00 -1.03 0.00 0.00 34.95 34.29 1v3f s ARG 73 CO 0.14 -0.23 1.18 -1.25 -1.13 0.00 0.00 175.30 174.01 1v3f s PRO 74 N -1.27 4.43 0.26 3.89 0.04 -1.26 -1.94 135.00 139.15 1v3f s PRO 74 Ca -0.13 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 1v3f s PRO 74 Cb -0.04 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 1v3f s PRO 74 CO 0.06 -0.27 0.63 0.14 0.04 0.00 0.00 177.00 177.61 1v3f s VAL 75 N 1.24 4.81 -0.90 -0.36 -7.23 -1.24 -4.97 120.40 111.74 1v3f s VAL 75 Ca 0.58 0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 61.23 1v3f s VAL 75 Cb -0.28 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 1v3f s VAL 75 CO 0.28 -0.09 1.75 -0.83 -0.31 0.00 0.00 175.10 175.90 1v3f s GLY 76 N -2.26 0.55 0.46 2.32 0.00 -1.26 -4.08 107.32 103.04 1v3f s GLY 76 Ca 0.50 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1v3f s GLY 76 CO 0.19 3.20 0.00 3.33 0.00 0.00 0.00 173.10 179.82 1v3f n VAL 77 N 7.44 0.00 0.07 1.40 0.24 -1.26 -5.05 118.33 121.17 1v3f n VAL 77 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 1v3f n VAL 77 Cb 0.49 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1v3f n VAL 77 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1v3f n ARG 78 N -3.48 0.00 -2.39 7.34 3.00 -1.26 -4.97 116.66 114.90 1v3f n ARG 78 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1v3f n ARG 78 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 32.46 32.32 1v3f n ARG 78 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1v3f s SER 79 N -5.12 6.10 0.07 6.15 0.01 -1.26 -4.82 113.70 114.83 1v3f s SER 79 Ca 0.00 -1.53 -0.07 0.00 1.31 0.00 0.00 55.95 55.67 1v3f s SER 79 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1v3f s SER 79 CO 0.00 -1.89 0.32 0.23 0.41 0.00 0.00 173.24 172.31 1v3f n MET 80 N 8.70 0.23 0.00 12.44 2.81 -1.26 -4.17 117.12 135.87 1v3f n MET 80 Ca 0.40 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1v3f n MET 80 Cb 0.48 0.68 0.00 0.00 -0.71 0.00 0.00 33.22 33.68 1v3f n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1v3f n GLY 81 N -0.22 0.88 2.83 3.03 0.00 -1.26 -4.70 105.19 105.74 1v3f n GLY 81 Ca -0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1v3f n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v3f n ALA 82 N 0.91 5.57 -2.53 4.61 0.00 -1.26 -4.97 120.51 122.84 1v3f n ALA 82 Ca 0.00 -4.44 -0.38 0.00 0.00 0.00 0.00 53.44 48.62 1v3f n ALA 82 Cb 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 19.45 16.66 1v3f n ALA 82 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1v3f s ILE 83 N -0.99 5.04 -0.15 0.00 -1.09 -1.26 -5.07 121.20 117.67 1v3f s ILE 83 Ca 0.39 0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 1v3f s ILE 83 Cb 0.10 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1v3f s ILE 83 CO 0.01 0.52 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.07 1v3f s ARG 84 N -0.71 1.37 -0.80 2.79 3.00 -1.26 -5.03 118.95 118.31 1v3f s ARG 84 Ca 0.24 -0.43 0.02 0.00 0.00 0.00 0.00 55.73 55.56 1v3f s ARG 84 Cb -0.17 -1.88 0.33 0.00 0.00 0.00 0.00 34.95 33.23 1v3f s ARG 84 CO 0.13 -0.41 1.34 -1.13 0.00 0.00 0.00 175.30 175.23 1v3f n SER 85 N 4.91 5.77 0.08 0.23 3.41 -1.26 -4.65 113.62 122.11 1v3f n SER 85 Ca -0.12 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1v3f n SER 85 Cb 0.48 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1v3f n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v3f n GLY 86 N -0.05 -1.46 3.22 5.00 0.00 -1.26 -5.11 105.19 105.53 1v3f n GLY 86 Ca 0.38 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.44 1v3f n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1v3f n ASP 87 N -2.85 -3.39 -1.76 1.61 5.68 -1.26 -4.89 116.55 109.69 1v3f n ASP 87 Ca 0.00 -0.60 0.07 0.00 -0.50 0.00 0.00 54.79 53.77 1v3f n ASP 87 Cb 0.00 -1.00 0.38 0.00 -1.14 0.00 0.00 41.12 39.36 1v3f n ASP 87 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1v3f n LEU 88 N -4.43 5.30 -4.20 -2.12 -0.00 -1.26 -4.98 117.00 105.31 1v3f n LEU 88 Ca 0.09 -2.68 -0.30 0.00 -0.00 0.00 0.00 56.01 53.11 1v3f n LEU 88 Cb 0.54 -0.65 0.16 0.00 -0.00 0.00 0.00 43.42 43.46 1v3f n LEU 88 CO 0.41 0.66 -0.61 0.00 -0.00 0.00 0.00 177.39 177.85 1v3f n ALA 89 N 0.74 -3.76 -2.38 1.96 0.00 -1.26 -4.93 120.51 110.88 1v3f n ALA 89 Ca 0.26 -1.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.19 1v3f n ALA 89 Cb 1.08 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 19.22 1v3f n ALA 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v3f n GLU 90 N -1.59 3.21 -1.80 0.00 1.02 -1.26 -4.83 120.64 115.39 1v3f n GLU 90 Ca 0.01 -4.26 -0.43 0.00 -0.02 0.00 0.00 57.16 52.46 1v3f n GLU 90 Cb 0.59 -2.14 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1v3f n GLU 90 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1v3f s GLN 91 N -3.53 3.23 -0.29 3.49 0.00 -1.26 -4.84 119.66 116.46 1v3f s GLN 91 Ca 0.46 1.74 -0.27 0.00 -0.00 0.00 0.00 55.36 57.28 1v3f s GLN 91 Cb 0.40 -4.29 0.19 0.00 0.00 0.00 0.00 33.01 29.32 1v3f s GLN 91 CO -0.10 -1.98 1.38 0.12 0.00 0.00 0.00 175.29 174.71 1v3f s PHE 92 N 7.60 -0.06 0.31 9.60 2.19 -1.26 -4.63 117.98 131.74 1v3f s PHE 92 Ca 0.90 0.12 0.09 0.00 0.33 0.00 0.00 56.93 58.37 1v3f s PHE 92 Cb -0.28 0.49 -0.04 0.00 -1.31 0.00 0.00 43.02 41.88 1v3f s PHE 92 CO 0.34 -0.04 0.07 -0.51 1.83 0.00 0.00 175.22 176.91 1v3f s LEU 93 N -0.59 3.19 -0.50 6.12 1.43 -1.26 -5.03 118.68 122.04 1v3f s LEU 93 Ca 0.08 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1v3f s LEU 93 Cb -0.03 -1.66 0.26 0.00 0.03 0.00 0.00 46.19 44.79 1v3f s LEU 93 CO -0.11 -0.18 0.64 -0.67 0.23 0.00 0.00 176.35 176.26 1v3f n ASP 94 N -1.03 1.91 -3.61 2.29 2.03 -1.26 -4.55 116.55 112.34 1v3f n ASP 94 Ca -0.04 -3.07 -0.16 0.00 0.52 0.00 0.00 54.79 52.03 1v3f n ASP 94 Cb 0.61 -0.65 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 1v3f n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v3f s ASP 95 N -1.89 1.08 0.04 1.67 -1.08 -1.26 -4.43 116.67 110.80 1v3f s ASP 95 Ca 0.38 -1.59 -0.20 0.00 -0.52 0.00 0.00 52.55 50.61 1v3f s ASP 95 Cb 0.17 0.52 -0.14 0.00 -1.46 0.00 0.00 42.92 42.01 1v3f s ASP 95 CO -0.07 -1.03 1.36 0.28 0.52 0.00 0.00 175.17 176.23 1v3f h SER 96 N 2.28 0.36 0.00 -0.34 0.02 -1.95 0.15 113.55 114.07 1v3f h SER 96 Ca -0.29 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1v3f h SER 96 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1v3f h SER 96 CO 0.41 0.75 0.00 0.35 -1.14 0.00 0.00 176.83 177.20 1v3f n THR 97 N -4.58 0.00 -1.50 -2.27 -2.24 -1.26 -4.37 114.28 98.06 1v3f n THR 97 Ca -0.06 1.43 -0.59 0.00 -2.27 0.00 0.00 64.05 62.57 1v3f n THR 97 Cb 0.34 -2.27 -0.08 0.00 -2.10 0.00 0.00 70.33 66.23 1v3f n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v3f n ALA 98 N -2.12 -2.69 -2.54 6.98 0.00 -1.25 -4.73 120.51 114.15 1v3f n ALA 98 Ca 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 53.44 53.72 1v3f n ALA 98 Cb 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1v3f n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v3f s LEU 99 N 1.01 2.69 -0.19 0.00 1.43 -1.26 0.15 118.68 122.51 1v3f s LEU 99 Ca 0.90 -1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 1v3f s LEU 99 Cb -1.27 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 44.16 1v3f s LEU 99 CO 0.62 -0.35 0.70 -0.31 0.23 0.00 0.00 176.35 177.24 1v3f s TYR 100 N -2.77 -0.74 0.12 0.29 2.02 -1.07 -3.69 117.35 111.51 1v3f s TYR 100 Ca 0.33 1.62 0.00 0.00 -0.37 0.00 0.00 57.07 58.66 1v3f s TYR 100 Cb 0.06 0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.94 1v3f s TYR 100 CO 0.16 -0.47 0.02 -2.37 -1.57 0.00 0.00 175.55 171.32 1v3f n THR 101 N 2.02 0.00 -4.01 -0.71 5.66 -0.82 -1.91 114.28 114.50 1v3f n THR 101 Ca -0.16 -0.60 -0.35 0.00 -3.05 0.00 0.00 64.05 59.90 1v3f n THR 101 Cb 0.56 0.16 -0.09 0.00 -1.55 0.00 0.00 70.33 69.41 1v3f n THR 101 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1v3f s PHE 102 N -1.66 3.30 0.92 1.09 0.08 -1.26 -1.49 117.98 118.95 1v3f s PHE 102 Ca 0.02 0.16 -0.12 0.00 0.12 0.00 0.00 56.93 57.12 1v3f s PHE 102 Cb 0.00 -2.03 0.14 0.00 -0.57 0.00 0.00 43.02 40.56 1v3f s PHE 102 CO 0.02 0.28 1.11 0.00 -0.10 0.00 0.00 175.22 176.52 1v3f s ALA 103 N 0.04 1.56 0.58 5.36 0.00 0.51 -4.80 121.76 125.01 1v3f s ALA 103 Ca 0.06 -0.33 0.33 0.00 0.00 0.00 0.00 51.96 52.02 1v3f s ALA 103 Cb -0.12 -3.10 1.36 0.00 0.00 0.00 0.00 23.12 21.26 1v3f s ALA 103 CO 0.01 -2.37 1.64 0.93 0.00 0.00 0.00 175.76 175.97 1v3f h GLU 104 N -1.56 0.00 -3.78 0.00 5.08 -1.89 -3.46 114.58 108.97 1v3f h GLU 104 Ca -0.51 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.95 1v3f h GLU 104 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 1v3f h GLU 104 CO 0.59 0.00 -1.09 0.43 -1.00 0.00 0.00 179.01 177.93 1v3f n SER 105 N -3.70 -8.52 -4.06 1.42 7.64 -1.21 -4.78 113.62 100.41 1v3f n SER 105 Ca 0.22 1.81 -0.37 0.00 1.01 0.00 0.00 58.87 61.55 1v3f n SER 105 Cb 1.27 -5.22 0.05 0.00 -1.01 0.00 0.00 64.21 59.30 1v3f n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1v3f n TYR 106 N -3.16 -2.95 -1.57 1.43 0.18 -1.26 -4.51 117.16 105.32 1v3f n TYR 106 Ca -0.03 0.30 -0.64 0.00 1.88 0.00 0.00 57.90 59.41 1v3f n TYR 106 Cb 0.56 -1.45 -0.10 0.00 -0.38 0.00 0.00 39.34 37.97 1v3f n TYR 106 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1v3f n LYS 107 N 1.77 0.00 -3.58 -3.48 -0.00 -1.26 -4.86 118.16 106.75 1v3f n LYS 107 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.32 1v3f n LYS 107 Cb 0.65 -1.46 -0.06 0.00 -0.00 0.00 0.00 35.03 34.16 1v3f n LYS 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1v3f s LYS 108 N 3.70 0.10 -0.39 -1.58 2.36 -1.26 -5.12 119.74 117.55 1v3f s LYS 108 Ca 1.06 0.18 -0.45 0.00 -2.55 0.00 0.00 55.97 54.20 1v3f s LYS 108 Cb -1.46 0.04 -0.20 0.00 -1.05 0.00 0.00 37.83 35.16 1v3f s LYS 108 CO 0.76 -0.02 1.51 1.17 1.55 0.00 0.00 175.35 180.32 1v3f n LYS 109 N 3.41 0.09 -3.64 4.03 0.00 -1.26 -4.89 118.16 115.89 1v3f n LYS 109 Ca -0.16 0.03 -0.05 0.00 0.00 0.00 0.00 58.31 58.14 1v3f n LYS 109 Cb 0.56 -1.54 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 1v3f n LYS 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1v3f s VAL 110 N 2.49 0.00 -0.71 3.15 0.11 -1.26 -5.09 120.40 119.09 1v3f s VAL 110 Ca 1.02 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.81 1v3f s VAL 110 Cb -1.43 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 32.35 1v3f s VAL 110 CO 0.76 0.00 2.18 -0.55 -3.33 0.00 0.00 175.10 174.16 1v3f s SER 111 N 0.51 4.62 -0.20 3.54 0.15 -1.26 -4.80 113.70 116.26 1v3f s SER 111 Ca 0.00 0.18 -0.34 0.00 0.70 0.00 0.00 55.95 56.50 1v3f s SER 111 Cb -0.04 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.88 1v3f s SER 111 CO -0.11 -3.04 1.20 -0.55 1.20 0.00 0.00 173.24 171.94 1v3f s SER 112 N 9.91 -0.15 -0.30 5.45 0.15 -1.26 -5.11 113.70 122.40 1v3f s SER 112 Ca 0.83 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 1v3f s SER 112 Cb -0.12 0.15 0.19 0.00 -1.71 0.00 0.00 66.02 64.52 1v3f s SER 112 CO 0.13 -0.22 0.58 -0.54 1.20 0.00 0.00 173.24 174.39 1v3f s LYS 113 N -2.07 0.55 0.00 5.44 -0.14 -1.26 -5.15 119.74 117.11 1v3f s LYS 113 Ca 0.08 0.98 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 1v3f s LYS 113 Cb -0.01 0.48 0.00 0.00 -1.68 0.00 0.00 37.83 36.62 1v3f s LYS 113 CO -0.05 -0.62 0.00 -1.91 -0.76 0.00 0.00 175.35 172.01 1v3f n GLU 114 N 5.43 0.00 -3.50 1.68 0.00 -1.26 -5.19 120.64 117.80 1v3f n GLU 114 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.06 1v3f n GLU 114 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.93 1v3f n GLU 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1v3f s SER 115 N 0.00 -0.40 -0.31 4.31 0.01 -1.26 -5.11 113.70 110.95 1v3f s SER 115 Ca 0.00 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.16 1v3f s SER 115 Cb 0.00 0.43 0.19 0.00 0.21 0.00 0.00 66.02 66.85 1v3f s SER 115 CO 0.00 -0.70 0.96 -0.83 0.41 0.00 0.00 173.24 173.08 1v3f s GLY 116 N -2.55 -1.09 1.07 3.44 0.00 -1.26 -5.17 107.32 101.75 1v3f s GLY 116 Ca 0.05 1.75 -0.17 0.00 0.00 0.00 0.00 44.72 46.34 1v3f s GLY 116 CO -0.09 4.06 1.21 2.56 0.00 0.00 0.00 173.10 180.85 1v3f s PRO 117 N 2.73 -0.20 -0.30 2.90 0.04 -1.26 -5.10 135.00 133.81 1v3f s PRO 117 Ca 0.23 -0.22 -0.24 0.00 0.04 0.00 0.00 61.00 60.81 1v3f s PRO 117 Cb -0.02 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.99 1v3f s PRO 117 CO -0.21 -3.01 1.47 0.45 0.04 0.00 0.00 177.00 175.74 1v3f s SER 118 N -4.39 -0.01 0.25 6.66 0.15 -1.26 -5.19 113.70 109.91 1v3f s SER 118 Ca 0.72 0.02 -0.21 0.00 0.70 0.00 0.00 55.95 57.19 1v3f s SER 118 Cb -0.07 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1v3f s SER 118 CO 0.54 -0.00 0.67 -0.44 1.20 0.00 0.00 173.24 175.21 1v3f s SER 119 N 0.08 -0.31 0.00 5.45 0.01 -1.26 -5.34 113.70 112.34 1v3f s SER 119 Ca 0.07 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1v3f s SER 119 Cb -0.05 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1v3f s SER 119 CO -0.16 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 172.86