#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3f n SER 2 N 0.00 -6.05 -4.39 1.61 7.64 -1.26 -4.94 113.62 106.23 1v3f n SER 2 Ca 0.00 1.12 -0.39 0.00 1.01 0.00 0.00 58.87 60.61 1v3f n SER 2 Cb 0.00 -3.99 -0.12 0.00 -1.01 0.00 0.00 64.21 59.09 1v3f n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v3f s SER 3 N -1.10 5.56 -0.81 6.43 1.04 -1.26 -4.99 113.70 118.57 1v3f s SER 3 Ca -0.06 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1v3f s SER 3 Cb 0.00 -1.99 0.32 0.00 0.10 0.00 0.00 66.02 64.45 1v3f s SER 3 CO 0.51 -0.29 1.30 0.61 0.98 0.00 0.00 173.24 176.35 1v3f n GLY 4 N 4.96 5.63 2.06 7.32 0.00 -1.26 -4.64 105.19 119.27 1v3f n GLY 4 Ca -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 0.19 -1.16 0.00 1.61 3.41 -1.26 -5.01 113.62 111.39 1v3f n SER 5 Ca 0.36 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1v3f n SER 5 Cb 0.34 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.90 0.00 -0.07 4.04 2.88 -1.26 -3.95 113.62 112.36 1v3f n SER 6 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1v3f n SER 6 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 -0.93 0.52 0.46 0.00 -1.26 -4.17 105.19 99.81 1v3f n GLY 7 Ca 0.00 -0.15 0.43 0.00 0.00 0.00 0.00 46.02 46.30 1v3f n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v3f n LEU 8 N -4.59 0.16 0.07 0.99 4.77 -1.25 0.15 117.00 117.30 1v3f n LEU 8 Ca -0.10 1.30 -0.12 0.00 -0.03 0.00 0.00 56.01 57.07 1v3f n LEU 8 Cb 0.31 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1v3f n LEU 8 CO 0.12 -1.39 0.68 -0.74 -1.33 0.00 0.00 177.39 174.72 1v3f h HIS 9 N 0.00 -0.74 0.00 -1.77 2.76 -1.85 0.85 115.15 114.40 1v3f h HIS 9 Ca 0.89 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 59.08 1v3f h HIS 9 Cb 3.04 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 32.32 1v3f h HIS 9 CO -0.00 -0.37 -0.00 0.07 -1.30 0.00 0.00 177.93 176.33 1v3f h ARG 10 N -0.43 0.00 0.15 5.26 -0.00 0.13 0.11 114.38 119.60 1v3f h ARG 10 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.80 1v3f h ARG 10 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.49 1v3f h ARG 10 CO -0.22 0.00 -1.08 0.82 -0.00 0.00 0.00 179.97 179.49 1v3f h ILE 11 N 0.00 1.34 -0.08 0.08 2.04 -0.02 -3.17 117.51 117.70 1v3f h ILE 11 Ca -0.00 -2.52 -0.00 0.00 1.00 0.00 0.00 64.86 63.34 1v3f h ILE 11 Cb 0.10 3.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1v3f h ILE 11 CO 0.00 0.73 0.03 0.58 0.00 0.00 0.00 178.15 179.49 1v3f h VAL 12 N -0.28 1.13 -0.94 1.67 2.07 0.16 -1.15 116.25 118.90 1v3f h VAL 12 Ca -0.21 -0.39 0.23 0.00 0.82 0.00 0.00 66.70 67.15 1v3f h VAL 12 Cb 1.75 1.25 -0.12 0.00 -1.52 0.00 0.00 31.29 32.65 1v3f h VAL 12 CO 0.14 0.11 0.49 0.44 0.02 0.00 0.00 177.57 178.77 1v3f h ASP 13 N -0.02 0.51 0.17 0.57 5.19 -1.14 0.74 116.42 122.43 1v3f h ASP 13 Ca 0.03 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1v3f h ASP 13 Cb 0.15 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1v3f h ASP 13 CO -0.00 0.07 -0.08 0.50 -3.12 0.00 0.00 179.24 176.60 1v3f h LYS 14 N 0.50 -0.22 -0.64 3.56 3.64 -1.40 -2.81 116.57 119.20 1v3f h LYS 14 Ca 0.59 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 60.07 1v3f h LYS 14 Cb 1.10 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1v3f h LYS 14 CO -0.49 0.05 0.42 0.52 -2.27 0.00 0.00 179.45 177.68 1v3f h MET 15 N -0.48 0.53 0.00 1.90 2.86 0.43 0.30 114.93 120.47 1v3f h MET 15 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1v3f h MET 15 Cb 0.37 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1v3f h MET 15 CO 0.04 0.35 0.00 0.45 1.06 0.00 0.00 176.91 178.81 1v3f h HIS 16 N 0.55 0.00 -3.25 -0.22 3.86 0.61 -3.33 115.15 113.35 1v3f h HIS 16 Ca 0.28 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 59.01 1v3f h HIS 16 Cb 0.41 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.90 1v3f h HIS 16 CO -0.00 0.00 -0.01 0.34 0.86 0.00 0.00 177.93 179.11 1v3f s ASP 17 N -5.15 6.28 -0.06 2.45 -1.08 0.10 -5.01 116.67 114.21 1v3f s ASP 17 Ca -0.05 0.73 0.11 0.00 -0.52 0.00 0.00 52.55 52.82 1v3f s ASP 17 Cb 0.13 -2.16 -0.16 0.00 -1.46 0.00 0.00 42.92 39.27 1v3f s ASP 17 CO 0.41 -0.46 0.15 1.07 0.52 0.00 0.00 175.17 176.87 1v3f n THR 18 N -2.04 0.33 0.00 1.71 5.66 -1.26 -3.19 114.28 115.48 1v3f n THR 18 Ca -0.02 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1v3f n THR 18 Cb 0.55 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1v3f n THR 18 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1v3f n SER 19 N -2.12 0.00 0.03 1.09 7.64 -1.26 -4.28 113.62 114.72 1v3f n SER 19 Ca -0.09 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.47 1v3f n SER 19 Cb 0.54 -0.35 0.16 0.00 -1.01 0.00 0.00 64.21 63.55 1v3f n SER 19 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1v3f n THR 20 N -1.56 0.19 -0.64 0.44 -2.24 -1.26 -4.91 114.28 104.30 1v3f n THR 20 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1v3f n THR 20 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1v3f n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3f n GLY 21 N 1.40 -1.20 3.74 3.38 0.00 -1.21 -4.91 105.19 106.39 1v3f n GLY 21 Ca 0.04 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1v3f n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1v3f s ILE 22 N -0.69 1.72 -0.37 -0.61 2.07 -1.19 -4.75 121.20 117.39 1v3f s ILE 22 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1v3f s ILE 22 Cb 0.00 -2.72 0.16 0.00 0.13 0.00 0.00 42.46 40.04 1v3f s ILE 22 CO 0.00 0.00 0.44 -0.13 -1.91 0.00 0.00 174.94 173.34 1v3f s ARG 23 N -5.71 0.65 0.87 3.50 0.52 -1.26 -4.45 118.95 113.07 1v3f s ARG 23 Ca 0.74 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 1v3f s ARG 23 Cb -0.05 -0.49 0.12 0.00 0.52 0.00 0.00 34.95 35.05 1v3f s ARG 23 CO 0.55 -1.18 1.12 -1.25 0.02 0.00 0.00 175.30 174.57 1v3f s PRO 24 N 1.66 1.45 0.00 3.54 0.04 -1.26 -4.84 135.00 135.59 1v3f s PRO 24 Ca 0.16 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1v3f s PRO 24 Cb -0.12 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1v3f s PRO 24 CO -0.07 -2.01 0.00 0.43 0.04 0.00 0.00 177.00 175.39 1v3f n SER 25 N -3.65 0.00 -4.71 6.66 7.64 0.52 -4.67 113.62 115.41 1v3f n SER 25 Ca 0.07 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 1v3f n SER 25 Cb 0.58 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1v3f n SER 25 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1v3f s PRO 26 N -2.00 4.42 -0.06 1.43 0.04 -1.22 -3.87 135.00 133.75 1v3f s PRO 26 Ca 0.00 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1v3f s PRO 26 Cb 0.00 -3.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.02 1v3f s PRO 26 CO 0.00 -0.28 0.08 -1.71 0.04 0.00 0.00 177.00 175.13 1v3f n ASN 27 N 4.23 3.01 -3.18 6.66 5.15 -1.26 -5.06 115.26 124.82 1v3f n ASN 27 Ca 0.09 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.02 1v3f n ASN 27 Cb 0.47 0.94 0.01 0.00 -0.53 0.00 0.00 39.78 40.66 1v3f n ASN 27 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1v3f n MET 28 N -2.13 -1.40 0.08 1.20 2.81 -1.26 -4.96 117.12 111.45 1v3f n MET 28 Ca -0.09 1.34 -0.03 0.00 -1.81 0.00 0.00 57.70 57.11 1v3f n MET 28 Cb 0.58 -5.30 -0.01 0.00 -0.71 0.00 0.00 33.22 27.77 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 0.22 -0.19 -1.31 0.03 4.57 -1.93 -3.42 114.58 112.55 1v3f h GLU 29 Ca -0.13 0.01 -0.44 0.00 -1.18 0.00 0.00 59.36 57.62 1v3f h GLU 29 Cb 1.08 0.04 -0.30 0.00 -0.16 0.00 0.00 28.75 29.41 1v3f h GLU 29 CO 0.32 -0.13 -0.90 0.94 -1.18 0.00 0.00 179.01 178.07 1v3f n GLN 30 N -2.56 0.75 0.00 1.92 -0.06 -1.26 -5.12 117.38 111.06 1v3f n GLN 30 Ca -0.02 -2.72 0.00 0.00 -2.00 0.00 0.00 57.00 52.25 1v3f n GLN 30 Cb 0.08 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1v3f n GLN 30 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1v3f n GLY 31 N 1.40 1.40 1.31 1.69 0.00 -1.26 -5.02 105.19 104.71 1v3f n GLY 31 Ca 0.17 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 -5.91 -0.03 1.61 7.64 -1.26 -4.75 113.62 110.93 1v3f n SER 32 Ca 0.00 1.03 -0.04 0.00 1.01 0.00 0.00 58.87 60.88 1v3f n SER 32 Cb 0.00 -3.05 -0.03 0.00 -1.01 0.00 0.00 64.21 60.11 1v3f n SER 32 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1v3f n THR 33 N -3.03 0.36 -2.83 0.44 -1.04 -1.26 -4.70 114.28 102.22 1v3f n THR 33 Ca 0.01 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.05 61.83 1v3f n THR 33 Cb 0.44 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1v3f n THR 33 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1v3f n TYR 34 N -2.46 -3.23 -3.42 -1.42 4.01 -1.26 -4.12 117.16 105.25 1v3f n TYR 34 Ca -0.10 1.42 -0.38 0.00 -0.16 0.00 0.00 57.90 58.68 1v3f n TYR 34 Cb 0.64 -3.44 -0.07 0.00 -0.31 0.00 0.00 39.34 36.16 1v3f n TYR 34 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1v3f s LYS 35 N -1.62 4.21 -0.20 -0.72 1.02 -1.26 -3.37 119.74 117.79 1v3f s LYS 35 Ca 0.03 0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 1v3f s LYS 35 Cb -0.01 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1v3f s LYS 35 CO 0.65 0.05 0.17 1.17 -0.92 0.00 0.00 175.35 176.47 1v3f n LYS 36 N 4.17 -0.55 -4.06 1.68 4.81 -1.26 -5.00 118.16 117.96 1v3f n LYS 36 Ca -0.09 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 1v3f n LYS 36 Cb 0.51 -2.44 -0.14 0.00 0.02 0.00 0.00 35.03 32.99 1v3f n LYS 36 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1v3f s THR 37 N -3.07 0.28 -0.02 3.15 -4.23 -1.25 -4.57 115.64 105.93 1v3f s THR 37 Ca 0.07 -0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1v3f s THR 37 Cb -0.01 -0.26 -0.02 0.00 1.34 0.00 0.00 72.50 73.56 1v3f s THR 37 CO 0.14 0.03 -0.22 0.72 -0.54 0.00 0.00 174.62 174.75 1v3f s PHE 38 N -0.21 1.97 0.52 3.99 -0.12 -0.79 0.20 117.98 123.54 1v3f s PHE 38 Ca 0.00 -0.39 -0.23 0.00 -0.05 0.00 0.00 56.93 56.26 1v3f s PHE 38 Cb -0.02 -1.27 -0.06 0.00 -0.63 0.00 0.00 43.02 41.04 1v3f s PHE 38 CO -0.00 -0.05 1.37 -0.51 -0.05 0.00 0.00 175.22 175.98 1v3f s LEU 39 N -0.48 3.92 0.25 -1.99 1.43 -1.26 -1.93 118.68 118.62 1v3f s LEU 39 Ca 0.07 2.79 -0.04 0.00 -1.03 0.00 0.00 54.13 55.92 1v3f s LEU 39 Cb -0.09 -4.19 0.48 0.00 0.03 0.00 0.00 46.19 42.41 1v3f s LEU 39 CO -0.01 -1.46 1.72 1.23 0.23 0.00 0.00 176.35 178.06 1v3f h GLY 40 N 1.68 1.14 1.44 -3.19 0.00 0.75 0.27 103.07 105.15 1v3f h GLY 40 Ca -0.51 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1v3f h GLY 40 CO 0.58 -0.13 0.08 0.23 0.00 0.00 0.00 176.54 177.30 1v3f h SER 41 N 0.40 0.66 -0.96 0.19 0.87 0.12 -1.05 113.55 113.79 1v3f h SER 41 Ca 0.42 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.93 1v3f h SER 41 Cb 0.67 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 1v3f h SER 41 CO -0.43 0.68 0.61 -1.28 -0.53 0.00 0.00 176.83 175.87 1v3f h SER 42 N 0.68 0.96 0.22 6.23 0.87 -0.72 0.37 113.55 122.17 1v3f h SER 42 Ca 0.15 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1v3f h SER 42 Cb 0.30 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1v3f h SER 42 CO 0.00 0.61 -0.11 0.25 -0.53 0.00 0.00 176.83 177.05 1v3f h LEU 43 N 1.09 -0.25 -0.24 2.23 5.85 -0.78 -1.07 115.31 122.15 1v3f h LEU 43 Ca 0.42 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1v3f h LEU 43 Cb 0.20 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1v3f h LEU 43 CO -0.18 0.26 -0.55 0.58 -0.34 0.00 0.00 178.44 178.21 1v3f h VAL 44 N -0.90 0.00 -0.80 1.05 2.07 -0.91 0.96 116.25 117.73 1v3f h VAL 44 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1v3f h VAL 44 Cb 0.50 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1v3f h VAL 44 CO 0.05 0.00 0.39 -0.78 0.02 0.00 0.00 177.57 177.25 1v3f h ASP 45 N -0.51 0.47 0.24 0.57 1.82 -0.37 -0.27 116.42 118.37 1v3f h ASP 45 Ca 0.05 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1v3f h ASP 45 Cb 0.64 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1v3f h ASP 45 CO -0.50 0.21 -0.17 -0.25 -1.61 0.00 0.00 179.24 176.93 1v3f h TRP 46 N 0.59 -0.45 -0.90 0.28 7.01 0.64 1.34 115.95 124.45 1v3f h TRP 46 Ca 0.42 -0.00 0.24 0.00 2.11 0.00 0.00 58.89 61.66 1v3f h TRP 46 Cb 0.57 0.17 -0.17 0.00 -2.10 0.00 0.00 29.16 27.62 1v3f h TRP 46 CO -0.11 -0.24 -0.02 1.28 -2.79 0.00 0.00 178.44 176.56 1v3f n LEU 47 N -3.30 -0.14 0.23 0.65 4.77 0.30 0.20 117.00 119.72 1v3f n LEU 47 Ca -0.05 1.53 -0.14 0.00 -0.03 0.00 0.00 56.01 57.32 1v3f n LEU 47 Cb 0.17 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1v3f n LEU 47 CO 0.11 -1.54 0.53 0.40 -1.33 0.00 0.00 177.39 175.56 1v3f h ILE 48 N 0.00 0.48 -0.51 -0.08 2.04 -0.51 0.27 117.51 119.21 1v3f h ILE 48 Ca 0.53 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 66.12 1v3f h ILE 48 Cb 1.06 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1v3f h ILE 48 CO -0.86 0.07 0.43 -1.28 0.00 0.00 0.00 178.15 176.51 1v3f h SER 49 N -0.87 0.00 1.34 1.72 0.87 0.80 1.47 113.55 118.87 1v3f h SER 49 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1v3f h SER 49 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1v3f h SER 49 CO 0.10 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.20 1v3f n SER 50 N -4.05 0.79 0.00 6.23 7.64 0.54 -4.88 113.62 119.89 1v3f n SER 50 Ca 0.09 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1v3f n SER 50 Cb 0.64 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.26 -2.46 0.07 6.43 2.85 0.50 -4.93 115.26 115.46 1v3f n ASN 51 Ca 0.05 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.63 1v3f n ASN 51 Cb 0.39 -0.43 0.01 0.00 1.24 0.00 0.00 39.78 40.99 1v3f n ASN 51 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1v3f n PHE 52 N -2.90 0.69 -4.14 1.20 3.72 0.89 -4.92 117.46 112.00 1v3f n PHE 52 Ca 0.00 0.20 -0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1v3f n PHE 52 Cb 0.03 -0.78 -0.10 0.00 -0.94 0.00 0.00 39.48 37.68 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 -3.32 0.88 -0.20 4.37 0.00 -1.14 -4.89 121.76 117.46 1v3f s ALA 53 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1v3f s ALA 53 Cb 0.11 0.13 -0.22 0.00 0.00 0.00 0.00 23.12 23.15 1v3f s ALA 53 CO 0.80 -0.18 0.04 0.00 0.00 0.00 0.00 175.76 176.42 1v3f n ALA 54 N 0.33 1.39 -2.19 0.00 0.00 -1.26 -4.50 120.51 114.28 1v3f n ALA 54 Ca -0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 1v3f n ALA 54 Cb 0.59 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -6.20 0.40 0.41 0.00 0.15 -1.26 -5.01 113.70 102.18 1v3f s SER 55 Ca -0.22 -0.97 0.29 0.00 0.70 0.00 0.00 55.95 55.75 1v3f s SER 55 Cb 0.08 0.24 1.40 0.00 -1.71 0.00 0.00 66.02 66.03 1v3f s SER 55 CO 0.72 -0.65 1.49 0.54 1.20 0.00 0.00 173.24 176.55 1v3f n ARG 56 N 0.05 -0.04 0.04 5.44 3.00 -1.26 -0.31 116.66 123.58 1v3f n ARG 56 Ca -0.13 1.22 -0.02 0.00 -0.01 0.00 0.00 57.85 58.91 1v3f n ARG 56 Cb 0.62 -2.36 -0.01 0.00 0.00 0.00 0.00 32.46 30.71 1v3f n ARG 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1v3f h LEU 57 N 0.00 -0.10 -1.70 0.55 7.12 -1.97 1.55 115.31 120.76 1v3f h LEU 57 Ca 0.83 0.01 0.48 0.00 0.13 0.00 0.00 57.88 59.32 1v3f h LEU 57 Cb 2.61 0.03 -0.10 0.00 -0.53 0.00 0.00 40.66 42.67 1v3f h LEU 57 CO -0.50 -0.07 1.07 -0.33 -0.13 0.00 0.00 178.44 178.48 1v3f h GLU 58 N -0.11 0.04 0.09 1.25 5.08 -1.06 1.51 114.58 121.39 1v3f h GLU 58 Ca -0.01 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1v3f h GLU 58 Cb 0.08 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1v3f h GLU 58 CO 0.01 0.03 -0.72 0.00 -1.00 0.00 0.00 179.01 177.33 1v3f h ALA 59 N 1.36 -0.03 -0.67 3.43 0.00 -0.71 -1.33 119.26 121.30 1v3f h ALA 59 Ca 0.83 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1v3f h ALA 59 Cb 2.98 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.77 1v3f h ALA 59 CO -0.22 0.36 0.27 0.28 0.00 0.00 0.00 179.25 179.94 1v3f h VAL 60 N -0.28 0.74 -0.23 0.00 2.07 1.32 0.81 116.25 120.68 1v3f h VAL 60 Ca -0.12 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1v3f h VAL 60 Cb 1.51 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1v3f h VAL 60 CO 0.14 0.08 -0.34 0.74 0.02 0.00 0.00 177.57 178.21 1v3f h THR 61 N 0.45 1.32 -0.68 2.57 2.02 -0.82 -1.40 112.91 116.36 1v3f h THR 61 Ca 0.35 -1.55 0.02 0.00 0.77 0.00 0.00 66.41 66.00 1v3f h THR 61 Cb 0.46 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1v3f h THR 61 CO -0.33 0.48 0.45 -0.07 0.37 0.00 0.00 175.52 176.42 1v3f h LEU 62 N 0.33 0.75 0.26 2.58 4.07 -0.03 0.29 115.31 123.55 1v3f h LEU 62 Ca 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1v3f h LEU 62 Cb 0.93 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1v3f h LEU 62 CO 0.08 0.53 -0.12 0.00 -1.08 0.00 0.00 178.44 177.84 1v3f h ALA 63 N 1.59 -0.35 -0.14 1.53 0.00 0.72 -2.27 119.26 120.35 1v3f h ALA 63 Ca 0.26 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1v3f h ALA 63 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1v3f h ALA 63 CO -0.07 -0.49 0.14 0.66 0.00 0.00 0.00 179.25 179.49 1v3f h SER 64 N -0.75 0.00 -0.35 0.00 4.64 -0.82 -0.14 113.55 116.14 1v3f h SER 64 Ca -0.04 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 1v3f h SER 64 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1v3f h SER 64 CO 0.06 0.00 -0.43 0.24 -0.87 0.00 0.00 176.83 175.83 1v3f h MET 65 N 0.00 0.90 -0.28 4.77 2.07 -0.19 -2.63 114.93 119.57 1v3f h MET 65 Ca 0.06 -0.51 -0.03 0.00 -2.07 0.00 0.00 59.70 57.16 1v3f h MET 65 Cb 0.35 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1v3f h MET 65 CO -0.00 1.16 0.06 -0.07 1.07 0.00 0.00 176.91 179.13 1v3f h LEU 66 N 0.71 0.43 -1.05 1.22 3.38 -0.45 -1.72 115.31 117.83 1v3f h LEU 66 Ca 0.04 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 57.90 1v3f h LEU 66 Cb 1.03 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1v3f h LEU 66 CO 0.10 0.55 0.63 0.24 0.09 0.00 0.00 178.44 180.05 1v3f h MET 67 N 0.28 0.93 -0.24 1.13 2.86 -1.37 0.39 114.93 118.91 1v3f h MET 67 Ca 0.09 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1v3f h MET 67 Cb 0.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1v3f h MET 67 CO 0.00 0.61 -0.02 0.93 1.06 0.00 0.00 176.91 179.50 1v3f h GLU 68 N 0.96 0.44 0.00 1.72 4.39 -1.14 -2.11 114.58 118.83 1v3f h GLU 68 Ca 0.49 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1v3f h GLU 68 Cb 0.52 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1v3f h GLU 68 CO -0.26 0.63 0.00 0.39 -1.16 0.00 0.00 179.01 178.61 1v3f n GLU 69 N -4.62 0.07 -1.50 2.33 -0.58 -0.53 -4.77 120.64 111.04 1v3f n GLU 69 Ca -0.04 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1v3f n GLU 69 Cb 0.26 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.86 -0.89 -0.10 1.62 2.85 -0.77 -4.98 115.26 111.14 1v3f n ASN 70 Ca -0.01 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.35 1v3f n ASN 70 Cb 0.02 -0.35 -0.15 0.00 1.24 0.00 0.00 39.78 40.54 1v3f n ASN 70 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1v3f n PHE 71 N -2.76 0.04 -4.21 1.20 3.72 0.01 -4.29 117.46 111.17 1v3f n PHE 71 Ca 0.00 0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1v3f n PHE 71 Cb 0.35 -1.01 -0.10 0.00 -0.94 0.00 0.00 39.48 37.79 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 -5.66 1.25 0.02 4.37 2.34 -1.23 -0.52 118.68 119.27 1v3f s LEU 72 Ca -0.13 -1.45 -0.20 0.00 0.06 0.00 0.00 54.13 52.41 1v3f s LEU 72 Cb 0.06 0.40 0.04 0.00 -0.56 0.00 0.00 46.19 46.14 1v3f s LEU 72 CO 0.80 -0.87 0.44 0.00 -1.06 0.00 0.00 176.35 175.66 1v3f s ARG 73 N -4.04 0.91 0.37 1.48 3.03 0.35 -4.16 118.95 116.89 1v3f s ARG 73 Ca 0.39 -0.24 -0.25 0.00 2.03 0.00 0.00 55.73 57.66 1v3f s ARG 73 Cb 0.06 0.41 -0.09 0.00 -1.03 0.00 0.00 34.95 34.30 1v3f s ARG 73 CO 0.15 -0.30 1.06 -1.25 -1.13 0.00 0.00 175.30 173.83 1v3f s PRO 74 N -2.11 4.27 0.36 3.89 0.04 -1.26 -0.98 135.00 139.21 1v3f s PRO 74 Ca -0.07 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1v3f s PRO 74 Cb -0.01 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.86 1v3f s PRO 74 CO 0.00 -0.07 0.23 0.28 0.04 0.00 0.00 177.00 177.49 1v3f n VAL 75 N 0.22 0.00 0.00 -0.36 0.31 -1.17 -4.86 118.33 112.46 1v3f n VAL 75 Ca 0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 64.34 62.88 1v3f n VAL 75 Cb 0.48 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1v3f n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v3f n GLY 76 N 0.61 -2.59 7.00 2.92 0.00 -1.26 -4.54 105.19 107.33 1v3f n GLY 76 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1v3f n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v3f n VAL 77 N -2.35 0.00 -1.05 1.61 0.24 -1.26 -4.55 118.33 110.97 1v3f n VAL 77 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1v3f n VAL 77 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.00 0.00 -2.71 7.34 3.00 -1.26 -4.01 116.66 119.02 1v3f n ARG 78 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1v3f n ARG 78 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1v3f n ARG 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1v3f n SER 79 N 3.05 -6.76 -3.65 6.15 7.64 -1.26 -4.09 113.62 114.70 1v3f n SER 79 Ca 0.01 0.12 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1v3f n SER 79 Cb 0.51 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1v3f n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1v3f s MET 80 N -2.76 0.19 0.00 1.43 -1.94 -1.26 -4.04 119.30 110.92 1v3f s MET 80 Ca 0.07 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1v3f s MET 80 Cb -0.02 0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.88 1v3f s MET 80 CO 0.61 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.95 1v3f n GLY 81 N -0.58 1.27 2.53 -0.03 0.00 -1.26 -4.78 105.19 102.34 1v3f n GLY 81 Ca -0.07 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.07 6.64 -2.66 4.61 0.00 -1.26 -4.93 120.51 122.84 1v3f n ALA 82 Ca 0.00 -3.95 -0.42 0.00 0.00 0.00 0.00 53.44 49.07 1v3f n ALA 82 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 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 0.55 4.79 -0.05 0.00 -1.09 -1.26 -5.03 121.20 119.11 1v3f s ILE 83 Ca 0.55 1.77 0.05 0.00 -2.23 0.00 0.00 60.65 60.79 1v3f s ILE 83 Cb 0.16 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1v3f s ILE 83 CO -0.07 -0.08 -0.19 0.00 -1.23 0.00 0.00 174.94 173.37 1v3f s ARG 84 N 2.77 1.97 -0.43 2.79 3.03 -1.26 -5.04 118.95 122.78 1v3f s ARG 84 Ca 0.39 -0.68 0.05 0.00 2.03 0.00 0.00 55.73 57.52 1v3f s ARG 84 Cb -0.16 -1.70 0.42 0.00 -1.03 0.00 0.00 34.95 32.49 1v3f s ARG 84 CO 0.09 0.28 1.15 -1.13 -1.13 0.00 0.00 175.30 174.56 1v3f n SER 85 N 3.09 4.84 -0.03 -2.89 3.41 -1.26 -4.79 113.62 115.99 1v3f n SER 85 Ca -0.18 -3.73 -0.03 0.00 -0.26 0.00 0.00 58.87 54.67 1v3f n SER 85 Cb 0.53 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.51 -0.51 3.92 5.00 0.00 -1.26 -5.04 105.19 106.79 1v3f n GLY 86 Ca 0.40 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 1v3f n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v3f s ASP 87 N -4.65 5.47 0.11 1.61 1.01 -1.26 -5.03 116.67 113.93 1v3f s ASP 87 Ca -0.10 -0.46 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1v3f s ASP 87 Cb 0.01 -0.88 -0.11 0.00 1.01 0.00 0.00 42.92 42.95 1v3f s ASP 87 CO 0.15 -0.52 1.49 0.25 0.21 0.00 0.00 175.17 176.75 1v3f h LEU 88 N 1.00 -1.60 0.00 1.23 7.12 -1.96 -3.47 115.31 117.63 1v3f h LEU 88 Ca -0.43 0.20 0.18 0.00 0.13 0.00 0.00 57.88 57.96 1v3f h LEU 88 Cb 1.26 0.64 -0.04 0.00 -0.53 0.00 0.00 40.66 41.99 1v3f h LEU 88 CO 0.54 -0.40 -0.24 0.00 -0.13 0.00 0.00 178.44 178.22 1v3f n ALA 89 N -3.00 -2.57 -2.58 1.25 0.00 -1.26 -4.62 120.51 107.74 1v3f n ALA 89 Ca -0.04 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1v3f n ALA 89 Cb 0.32 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.25 2.18 -2.18 0.00 1.02 -1.26 -4.84 120.64 113.31 1v3f n GLU 90 Ca 0.00 -3.71 -0.31 0.00 -0.02 0.00 0.00 57.16 53.13 1v3f n GLU 90 Cb 0.30 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 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 2.81 -0.30 3.49 0.00 -1.26 -4.78 119.66 116.09 1v3f s GLN 91 Ca 0.35 -0.76 -0.18 0.00 -0.00 0.00 0.00 55.36 54.78 1v3f s GLN 91 Cb 0.39 -5.19 0.20 0.00 0.00 0.00 0.00 33.01 28.41 1v3f s GLN 91 CO -0.02 -3.25 1.24 0.12 0.00 0.00 0.00 175.29 173.37 1v3f s PHE 92 N 9.04 -0.15 0.50 9.60 2.19 -1.26 -4.78 117.98 133.11 1v3f s PHE 92 Ca 0.65 0.28 -0.02 0.00 0.33 0.00 0.00 56.93 58.17 1v3f s PHE 92 Cb -0.03 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.77 1v3f s PHE 92 CO 0.02 -0.08 0.75 -0.51 1.83 0.00 0.00 175.22 177.23 1v3f s LEU 93 N 1.67 3.50 -0.63 6.12 1.02 -1.26 -4.94 118.68 124.17 1v3f s LEU 93 Ca -0.03 0.40 0.06 0.00 0.02 0.00 0.00 54.13 54.57 1v3f s LEU 93 Cb -0.02 -3.26 0.22 0.00 0.02 0.00 0.00 46.19 43.15 1v3f s LEU 93 CO -0.14 -0.84 0.62 -0.67 0.02 0.00 0.00 176.35 175.35 1v3f n ASP 94 N -2.25 2.93 -0.98 2.29 2.03 -1.26 -4.61 116.55 114.71 1v3f n ASP 94 Ca 0.03 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.10 1v3f n ASP 94 Cb 0.58 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1v3f n ASP 94 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v3f n ASP 95 N 1.38 0.06 -0.03 1.67 2.03 -1.26 -4.67 116.55 115.73 1v3f n ASP 95 Ca 0.26 -0.95 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 1v3f n ASP 95 Cb 0.41 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.67 1v3f n ASP 95 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1v3f h SER 96 N 0.00 0.28 0.32 1.67 0.02 -1.95 1.20 113.55 115.08 1v3f h SER 96 Ca 0.00 -0.80 -0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1v3f h SER 96 Cb 0.00 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1v3f h SER 96 CO 0.00 1.72 -0.52 0.71 -1.14 0.00 0.00 176.83 177.61 1v3f h THR 97 N -0.31 0.01 -1.42 -2.27 1.35 -1.98 -3.39 112.91 104.90 1v3f h THR 97 Ca -0.39 0.00 -0.71 0.00 -0.55 0.00 0.00 66.41 64.76 1v3f h THR 97 Cb 1.77 0.01 0.07 0.00 -1.73 0.00 0.00 68.15 68.28 1v3f h THR 97 CO -0.01 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.35 1v3f n ALA 98 N -2.87 -2.17 -2.44 6.62 0.00 -1.26 -4.59 120.51 113.80 1v3f n ALA 98 Ca -0.10 0.52 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1v3f n ALA 98 Cb 0.44 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 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 0.79 2.41 -0.11 0.00 1.43 -1.26 0.94 118.68 122.88 1v3f s LEU 99 Ca 0.80 -1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1v3f s LEU 99 Cb -1.03 -0.56 0.08 0.00 0.03 0.00 0.00 46.19 44.71 1v3f s LEU 99 CO 0.54 -0.43 0.75 -0.31 0.23 0.00 0.00 176.35 177.13 1v3f s TYR 100 N -3.09 -0.63 0.19 0.29 2.02 -0.81 -3.07 117.35 112.25 1v3f s TYR 100 Ca 0.32 1.20 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 1v3f s TYR 100 Cb 0.06 0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.96 1v3f s TYR 100 CO 0.13 -0.52 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.49 1v3f s THR 101 N -0.85 0.98 0.19 -0.71 -1.32 -0.15 -1.88 115.64 111.90 1v3f s THR 101 Ca -0.07 -2.03 -0.30 0.00 -1.21 0.00 0.00 61.69 58.08 1v3f s THR 101 Cb -0.01 -2.16 -0.08 0.00 -1.51 0.00 0.00 72.50 68.74 1v3f s THR 101 CO 0.07 -0.47 1.11 -0.36 -2.21 0.00 0.00 174.62 172.75 1v3f s PHE 102 N -3.45 3.58 -0.01 9.09 0.08 -1.26 0.13 117.98 126.14 1v3f s PHE 102 Ca 0.24 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.59 1v3f s PHE 102 Cb 0.05 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1v3f s PHE 102 CO 0.05 -0.64 1.08 0.00 -0.10 0.00 0.00 175.22 175.61 1v3f s ALA 103 N -0.35 3.31 -1.11 5.36 0.00 0.33 -4.78 121.76 124.51 1v3f s ALA 103 Ca 0.49 0.61 0.18 0.00 0.00 0.00 0.00 51.96 53.24 1v3f s ALA 103 Cb -0.30 -3.41 0.83 0.00 0.00 0.00 0.00 23.12 20.24 1v3f s ALA 103 CO 0.36 -0.42 1.58 -0.85 0.00 0.00 0.00 175.76 176.43 1v3f n GLU 104 N 4.28 0.07 -2.96 0.00 0.28 -1.26 -4.29 120.64 116.76 1v3f n GLU 104 Ca 0.08 0.16 -0.44 0.00 -0.16 0.00 0.00 57.16 56.80 1v3f n GLU 104 Cb 0.49 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 1v3f n GLU 104 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1v3f s SER 105 N -2.89 6.88 0.03 -1.84 0.01 -1.26 -4.90 113.70 109.73 1v3f s SER 105 Ca 0.11 -2.60 -0.14 0.00 1.31 0.00 0.00 55.95 54.63 1v3f s SER 105 Cb 0.12 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 64.01 1v3f s SER 105 CO 0.32 -0.86 0.67 0.00 0.41 0.00 0.00 173.24 173.78 1v3f n TYR 106 N 5.88 -0.55 -2.04 2.43 4.11 -1.26 -4.70 117.16 121.03 1v3f n TYR 106 Ca 0.30 -0.51 -0.41 0.00 -0.00 0.00 0.00 57.90 57.28 1v3f n TYR 106 Cb 0.46 0.24 -0.03 0.00 -0.00 0.00 0.00 39.34 40.01 1v3f n TYR 106 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1v3f s LYS 107 N -2.02 3.05 -0.30 -3.48 1.02 -1.26 -4.91 119.74 111.85 1v3f s LYS 107 Ca 0.15 1.05 -0.03 0.00 0.02 0.00 0.00 55.97 57.16 1v3f s LYS 107 Cb -0.01 -4.26 0.10 0.00 -0.52 0.00 0.00 37.83 33.14 1v3f s LYS 107 CO 0.01 -2.20 0.13 0.21 -0.92 0.00 0.00 175.35 172.58 1v3f s LYS 108 N 6.19 0.27 0.95 1.68 2.20 -1.26 -5.13 119.74 124.63 1v3f s LYS 108 Ca 0.73 -0.64 -0.14 0.00 -0.36 0.00 0.00 55.97 55.56 1v3f s LYS 108 Cb -0.17 -1.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.87 1v3f s LYS 108 CO 0.28 -1.03 0.13 1.63 -0.36 0.00 0.00 175.35 176.00 1v3f n LYS 109 N 5.13 -0.20 -3.67 4.03 5.02 -1.26 -5.02 118.16 122.20 1v3f n LYS 109 Ca -0.04 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 1v3f n LYS 109 Cb 0.42 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1v3f n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1v3f s VAL 110 N -2.28 0.03 -0.75 -0.18 0.11 -1.26 -5.08 120.40 110.99 1v3f s VAL 110 Ca 0.53 -0.23 -0.33 0.00 -2.93 0.00 0.00 61.98 59.03 1v3f s VAL 110 Cb -0.21 -0.77 -0.18 0.00 -1.53 0.00 0.00 36.38 33.70 1v3f s VAL 110 CO 0.71 -0.12 2.49 -1.20 -3.33 0.00 0.00 175.10 173.64 1v3f n SER 111 N 1.41 0.92 -3.21 3.54 7.64 -1.26 -4.80 113.62 117.85 1v3f n SER 111 Ca -0.19 0.19 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1v3f n SER 111 Cb 0.56 -1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 1v3f n SER 111 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v3f n SER 112 N 10.72 -1.20 -2.33 6.43 2.88 -1.26 -4.96 113.62 123.90 1v3f n SER 112 Ca 0.56 -2.55 -0.01 0.00 -1.33 0.00 0.00 58.87 55.55 1v3f n SER 112 Cb 0.12 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1v3f n SER 112 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1v3f n LYS 113 N 2.72 -0.86 -3.61 -1.46 0.00 -1.26 -5.07 118.16 108.63 1v3f n LYS 113 Ca 0.26 1.13 0.00 0.00 0.00 0.00 0.00 58.31 59.70 1v3f n LYS 113 Cb 0.51 -3.84 -0.01 0.00 0.00 0.00 0.00 35.03 31.68 1v3f n LYS 113 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1v3f s GLU 114 N -2.75 0.05 -0.19 1.64 2.12 -1.26 -5.11 118.70 113.21 1v3f s GLU 114 Ca 0.03 -0.02 -0.28 0.00 0.36 0.00 0.00 54.97 55.05 1v3f s GLU 114 Cb -0.01 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 1v3f s GLU 114 CO 0.42 -0.02 2.12 -1.12 -0.54 0.00 0.00 175.26 176.11 1v3f s SER 115 N -2.44 5.69 0.22 -1.70 0.01 -1.26 -4.96 113.70 109.25 1v3f s SER 115 Ca 0.13 1.96 -0.01 0.00 1.31 0.00 0.00 55.95 59.34 1v3f s SER 115 Cb 0.03 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1v3f s SER 115 CO -0.04 -1.77 0.41 -0.83 0.41 0.00 0.00 173.24 171.42 1v3f s GLY 116 N 7.32 1.75 1.00 3.44 0.00 -1.26 -5.09 107.32 114.48 1v3f s GLY 116 Ca 0.96 -0.83 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 1v3f s GLY 116 CO 0.36 -0.78 1.18 2.56 0.00 0.00 0.00 173.10 176.41 1v3f s PRO 117 N -3.42 0.40 0.56 2.90 0.04 -1.26 -5.07 135.00 129.15 1v3f s PRO 117 Ca 0.39 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.41 1v3f s PRO 117 Cb -0.11 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1v3f s PRO 117 CO 0.29 -2.64 0.81 -1.12 0.04 0.00 0.00 177.00 174.38 1v3f s SER 118 N -4.23 5.40 0.34 6.66 0.01 -1.26 -5.11 113.70 115.50 1v3f s SER 118 Ca 0.68 0.29 0.07 0.00 1.31 0.00 0.00 55.95 58.30 1v3f s SER 118 Cb -0.10 -1.25 -0.07 0.00 0.21 0.00 0.00 66.02 64.81 1v3f s SER 118 CO 0.54 -1.09 -0.03 -0.55 0.41 0.00 0.00 173.24 172.52 1v3f s SER 119 N -4.36 3.22 0.00 2.44 0.15 -1.26 -5.33 113.70 108.55 1v3f s SER 119 Ca 0.55 -1.28 0.02 0.00 0.70 0.00 0.00 55.95 55.94 1v3f s SER 119 Cb -0.10 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1v3f s SER 119 CO 0.41 -0.39 0.56 0.61 1.20 0.00 0.00 173.24 175.63