#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbi s SER 0 N 0.00 1.02 0.00 1.61 0.15 -1.26 -5.02 113.70 110.21 2xbi s SER 0 Ca 0.00 -0.51 0.29 0.00 0.70 0.00 0.00 55.95 56.43 2xbi s SER 0 Cb 0.00 0.00 1.18 0.00 -1.71 0.00 0.00 66.02 65.49 2xbi s SER 0 CO 0.00 -0.14 1.86 0.80 1.20 0.00 0.00 173.24 176.96 2xbi n MET 1 N 1.60 0.22 -2.54 5.44 0.00 -1.26 -4.67 117.12 115.92 2xbi n MET 1 Ca -0.21 -0.05 -0.41 0.00 -0.00 0.00 0.00 57.70 57.04 2xbi n MET 1 Cb 0.55 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.24 2xbi n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2xbi s SER 2 N -2.81 6.48 0.33 6.12 0.15 -1.26 -4.56 113.70 118.15 2xbi s SER 2 Ca 0.19 -1.53 -0.18 0.00 0.70 0.00 0.00 55.95 55.13 2xbi s SER 2 Cb 0.19 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2xbi s SER 2 CO 0.53 -1.53 0.79 -1.59 1.20 0.00 0.00 173.24 172.64 2xbi s LYS 3 N 4.98 2.01 -0.21 5.44 -2.85 -1.24 -4.88 119.74 122.99 2xbi s LYS 3 Ca 0.48 -1.23 -0.20 0.00 -1.00 0.00 0.00 55.97 54.02 2xbi s LYS 3 Cb 0.00 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 2xbi s LYS 3 CO -0.08 -0.93 0.58 -1.17 0.10 0.00 0.00 175.35 173.85 2xbi s LEU 4 N -3.03 4.12 0.22 2.77 2.96 -1.26 -1.28 118.68 123.18 2xbi s LEU 4 Ca 0.14 0.73 0.10 0.00 -0.22 0.00 0.00 54.13 54.88 2xbi s LEU 4 Cb -0.05 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 2xbi s LEU 4 CO 0.09 -0.26 -0.19 0.27 -1.32 0.00 0.00 176.35 174.95 2xbi s ILE 5 N 1.94 2.12 -0.16 6.68 -4.36 0.04 -5.00 121.20 122.45 2xbi s ILE 5 Ca 0.26 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2xbi s ILE 5 Cb -0.16 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.48 2xbi s ILE 5 CO 0.10 -0.39 -0.12 -0.70 0.24 0.00 0.00 174.94 174.07 2xbi s GLU 6 N -3.25 2.11 0.72 0.37 2.12 -1.26 -0.46 118.70 119.04 2xbi s GLU 6 Ca 0.23 -0.59 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 2xbi s GLU 6 Cb -0.05 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.25 2xbi s GLU 6 CO 0.10 -0.29 1.07 -0.51 -0.54 0.00 0.00 175.26 175.09 2xbi s LEU 7 N 1.50 2.96 -0.06 2.70 1.43 -0.60 -4.95 118.68 121.65 2xbi s LEU 7 Ca 0.03 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2xbi s LEU 7 Cb -0.14 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2xbi s LEU 7 CO -0.10 -1.53 -0.05 0.29 0.23 0.00 0.00 176.35 175.19 2xbi n LYS 8 N -3.17 0.25 -3.74 1.70 4.76 -1.26 -4.77 118.16 111.93 2xbi n LYS 8 Ca 0.07 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 2xbi n LYS 8 Cb 0.55 -1.11 -0.07 0.00 -1.84 0.00 0.00 35.03 32.55 2xbi n LYS 8 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2xbi s GLN 9 N -2.11 0.84 0.15 1.97 0.00 -1.26 -4.75 119.66 114.49 2xbi s GLN 9 Ca -0.07 -0.49 -0.34 0.00 -0.00 0.00 0.00 55.36 54.45 2xbi s GLN 9 Cb 0.02 0.36 -0.16 0.00 0.00 0.00 0.00 33.01 33.24 2xbi s GLN 9 CO 0.13 -0.27 1.30 -0.25 0.00 0.00 0.00 175.29 176.20 2xbi n ASP 10 N 0.53 1.80 0.00 12.60 8.00 -1.26 -1.33 116.55 136.89 2xbi n ASP 10 Ca -0.18 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.44 2xbi n ASP 10 Cb 0.60 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 2xbi n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xbi n GLY 11 N 2.37 2.45 0.31 0.44 0.00 -1.26 -4.95 105.19 104.55 2xbi n GLY 11 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2xbi n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xbi h ASP 12 N 0.34 0.97 -0.16 1.61 3.32 -1.64 -2.21 116.42 118.63 2xbi h ASP 12 Ca 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 2xbi h ASP 12 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2xbi h ASP 12 CO 0.00 0.98 -0.41 0.25 -1.72 0.00 0.00 179.24 178.34 2xbi h LEU 13 N 0.94 0.64 -0.85 1.55 5.85 -1.93 -1.55 115.31 119.96 2xbi h LEU 13 Ca 0.19 -0.57 0.07 0.00 0.84 0.00 0.00 57.88 58.40 2xbi h LEU 13 Cb 0.44 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2xbi h LEU 13 CO 0.01 1.10 0.52 -0.33 -0.34 0.00 0.00 178.44 179.41 2xbi h GLU 14 N 0.22 0.91 -0.55 1.25 3.07 -1.96 -0.45 114.58 117.07 2xbi h GLU 14 Ca -0.00 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2xbi h GLU 14 Cb 1.02 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 2xbi h GLU 14 CO 0.09 0.60 0.20 0.77 -1.40 0.00 0.00 179.01 179.28 2xbi h SER 15 N 0.94 0.77 0.28 1.42 0.02 -1.18 -0.95 113.55 114.86 2xbi h SER 15 Ca 0.38 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2xbi h SER 15 Cb 0.20 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2xbi h SER 15 CO -0.18 0.74 -0.14 0.25 -1.14 0.00 0.00 176.83 176.36 2xbi h LEU 16 N 0.75 -0.32 -1.72 5.07 5.85 -0.81 -3.06 115.31 121.07 2xbi h LEU 16 Ca 0.18 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2xbi h LEU 16 Cb 0.23 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2xbi h LEU 16 CO -0.01 -0.23 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.61 2xbi h LEU 17 N -0.38 0.00 -1.93 2.25 3.38 -0.89 -2.65 115.31 115.09 2xbi h LEU 17 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2xbi h LEU 17 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2xbi h LEU 17 CO 0.06 0.18 0.14 -0.33 0.09 0.00 0.00 178.44 178.58 2xbi h GLU 18 N 0.00 0.09 0.00 1.13 5.08 -1.06 -3.05 114.58 116.76 2xbi h GLU 18 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2xbi h GLU 18 Cb 0.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2xbi h GLU 18 CO 0.02 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 2xbi n GLN 19 N -4.50 1.69 -2.71 2.33 6.02 -1.02 -4.69 117.38 114.50 2xbi n GLN 19 Ca 0.01 -1.17 -0.06 0.00 -0.01 0.00 0.00 57.00 55.77 2xbi n GLN 19 Cb 0.21 -0.99 0.04 0.00 1.02 0.00 0.00 30.24 30.51 2xbi n GLN 19 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2xbi n HIS 20 N -0.33 1.31 0.27 1.08 8.25 -1.07 -4.90 115.22 119.82 2xbi n HIS 20 Ca 0.00 -2.51 0.15 0.00 -0.26 0.00 0.00 57.72 55.10 2xbi n HIS 20 Cb 0.17 -0.31 0.70 0.00 1.12 0.00 0.00 29.99 31.67 2xbi n HIS 20 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2xbi h LYS 21 N 2.80 0.00 0.00 -0.41 3.64 -1.83 -2.70 116.57 118.07 2xbi h LYS 21 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2xbi h LYS 21 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2xbi h LYS 21 CO 0.38 0.09 -0.38 0.27 -2.27 0.00 0.00 179.45 177.54 2xbi n ASN 22 N -3.30 0.63 -4.85 4.20 6.94 -1.26 -1.63 115.26 115.99 2xbi n ASN 22 Ca -0.01 0.23 -0.33 0.00 -0.02 0.00 0.00 54.58 54.45 2xbi n ASN 22 Cb 0.30 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 2xbi n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2xbi s LYS 23 N -3.11 3.97 0.15 -3.83 -0.14 -1.02 -4.82 119.74 110.94 2xbi s LYS 23 Ca 0.09 0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 54.92 2xbi s LYS 23 Cb 0.14 -2.68 -0.08 0.00 -1.68 0.00 0.00 37.83 33.53 2xbi s LYS 23 CO 0.67 0.32 1.32 -1.17 -0.76 0.00 0.00 175.35 175.72 2xbi s LEU 24 N -2.55 4.40 -0.14 3.17 2.96 -1.26 -4.55 118.68 120.70 2xbi s LEU 24 Ca 0.47 2.32 0.01 0.00 -0.22 0.00 0.00 54.13 56.70 2xbi s LEU 24 Cb -0.13 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2xbi s LEU 24 CO 0.19 -0.55 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.81 2xbi s VAL 25 N 0.55 2.56 -0.24 1.68 1.01 -0.30 -0.45 120.40 125.21 2xbi s VAL 25 Ca 0.59 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 2xbi s VAL 25 Cb -0.35 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.00 2xbi s VAL 25 CO 0.34 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.19 2xbi s VAL 26 N 0.70 2.62 -0.22 2.92 1.01 0.21 -0.46 120.40 127.19 2xbi s VAL 26 Ca -0.08 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 2xbi s VAL 26 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2xbi s VAL 26 CO 0.01 0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.64 2xbi s VAL 27 N 1.27 4.13 -0.64 2.92 1.01 0.36 -0.81 120.40 128.65 2xbi s VAL 27 Ca -0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2xbi s VAL 27 Cb -0.17 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.42 2xbi s VAL 27 CO -0.06 0.40 0.81 -0.62 0.00 0.00 0.00 175.10 175.63 2xbi s ASP 28 N 1.16 6.22 -0.32 3.32 2.15 0.86 -0.63 116.67 129.42 2xbi s ASP 28 Ca 0.03 -1.38 -0.26 0.00 0.43 0.00 0.00 52.55 51.38 2xbi s ASP 28 Cb -0.14 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2xbi s ASP 28 CO 0.02 -1.20 0.92 -0.36 -0.17 0.00 0.00 175.17 174.38 2xbi s PHE 29 N 3.02 3.16 0.29 -5.34 0.40 0.18 -0.83 117.98 118.87 2xbi s PHE 29 Ca 0.16 0.93 0.02 0.00 -0.60 0.00 0.00 56.93 57.44 2xbi s PHE 29 Cb -0.21 -3.47 -0.05 0.00 0.51 0.00 0.00 43.02 39.80 2xbi s PHE 29 CO 0.06 -0.69 0.09 -0.59 0.70 0.00 0.00 175.22 174.79 2xbi s PHE 30 N 3.30 1.68 0.12 0.36 -0.12 -0.20 -1.34 117.98 121.79 2xbi s PHE 30 Ca 0.38 -1.12 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2xbi s PHE 30 Cb -0.13 -1.03 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 2xbi s PHE 30 CO 0.15 -0.23 -0.14 0.00 -0.05 0.00 0.00 175.22 174.94 2xbi s ALA 31 N -3.59 1.50 -0.85 1.99 0.00 -1.26 -1.19 121.76 118.35 2xbi s ALA 31 Ca 0.37 -1.29 0.21 0.00 0.00 0.00 0.00 51.96 51.26 2xbi s ALA 31 Cb 0.08 -0.08 0.87 0.00 0.00 0.00 0.00 23.12 23.99 2xbi s ALA 31 CO 0.14 0.11 1.67 0.25 0.00 0.00 0.00 175.76 177.93 2xbi n THR 32 N 0.56 0.67 -1.29 0.00 -2.24 -1.26 -2.98 114.28 107.75 2xbi n THR 32 Ca -0.16 0.12 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 2xbi n THR 32 Cb 0.57 -0.86 0.16 0.00 -2.10 0.00 0.00 70.33 68.10 2xbi n THR 32 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2xbi n TRP 33 N -1.76 2.85 -3.81 4.78 4.27 -1.26 -4.87 117.44 117.64 2xbi n TRP 33 Ca 0.04 -2.01 -0.30 0.00 -3.89 0.00 0.00 57.50 51.35 2xbi n TRP 33 Cb 0.26 -0.96 -0.15 0.00 -1.36 0.00 0.00 31.31 29.09 2xbi n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2xbi h GLY 35 N 8.03 0.36 1.31 0.00 0.00 -1.89 -2.49 103.07 108.39 2xbi h GLY 35 Ca -0.14 -0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.04 2xbi h GLY 35 CO 0.44 0.21 0.30 -2.55 0.00 0.00 0.00 176.54 174.94 2xbi h PRO 36 N 0.15 0.28 -0.86 4.80 0.11 -1.95 -0.97 132.00 133.57 2xbi h PRO 36 Ca 0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2xbi h PRO 36 Cb 0.26 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 2xbi h PRO 36 CO 0.00 0.19 0.53 0.00 -0.21 0.00 0.00 178.00 178.51 2xbi h LYS 38 N 1.17 0.66 -0.69 0.00 1.57 -1.05 -2.30 116.57 115.92 2xbi h LYS 38 Ca 0.31 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2xbi h LYS 38 Cb -0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 2xbi h LYS 38 CO -0.06 0.43 0.15 1.15 -0.57 0.00 0.00 179.45 180.55 2xbi h THR 39 N 0.68 1.26 0.00 -0.16 2.02 -0.95 -2.90 112.91 112.86 2xbi h THR 39 Ca 0.21 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2xbi h THR 39 Cb -0.02 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2xbi h THR 39 CO -0.07 0.38 -0.31 -0.29 0.37 0.00 0.00 175.52 175.60 2xbi h ILE 40 N 1.05 0.00 -0.54 3.11 2.10 -1.21 -3.37 117.51 118.65 2xbi h ILE 40 Ca 0.22 -0.78 0.10 0.00 1.08 0.00 0.00 64.86 65.48 2xbi h ILE 40 Cb 0.39 1.61 -0.09 0.00 -1.09 0.00 0.00 36.82 37.65 2xbi h ILE 40 CO 0.01 0.00 0.04 0.00 -1.08 0.00 0.00 178.15 177.11 2xbi h ALA 41 N 2.22 0.55 -0.05 0.18 0.00 -1.19 -0.12 119.26 120.85 2xbi h ALA 41 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2xbi h ALA 41 Cb 0.89 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2xbi h ALA 41 CO 0.00 -0.36 -0.20 -1.35 0.00 0.00 0.00 179.25 177.34 2xbi h PRO 42 N 0.16 0.08 -0.03 0.00 0.11 -1.76 -1.98 132.00 128.59 2xbi h PRO 42 Ca 0.28 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.17 2xbi h PRO 42 Cb 0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2xbi h PRO 42 CO -0.42 0.29 -0.84 -0.07 -0.21 0.00 0.00 178.00 176.74 2xbi h LEU 43 N 0.08 0.42 -0.70 2.35 3.38 -1.42 -1.37 115.31 118.05 2xbi h LEU 43 Ca 0.01 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2xbi h LEU 43 Cb 0.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2xbi h LEU 43 CO 0.03 1.09 0.22 0.15 0.09 0.00 0.00 178.44 180.02 2xbi h PHE 44 N 0.21 1.12 -0.67 1.13 3.57 -0.74 -1.55 116.94 120.01 2xbi h PHE 44 Ca -0.05 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 2xbi h PHE 44 Cb 1.44 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2xbi h PHE 44 CO 0.04 0.90 0.25 -0.22 -2.23 0.00 0.00 178.31 177.05 2xbi h LYS 45 N 1.03 1.02 -0.39 1.11 3.64 -1.22 -1.69 116.57 120.07 2xbi h LYS 45 Ca 0.23 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2xbi h LYS 45 Cb 0.30 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2xbi h LYS 45 CO -0.01 0.86 0.22 0.93 -2.27 0.00 0.00 179.45 179.18 2xbi h GLU 46 N 0.96 0.43 -0.99 1.90 5.08 -0.98 -1.60 114.58 119.38 2xbi h GLU 46 Ca 0.22 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 2xbi h GLU 46 Cb 0.23 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2xbi h GLU 46 CO -0.02 0.28 0.63 -0.07 -1.00 0.00 0.00 179.01 178.84 2xbi h LEU 47 N 0.44 0.98 -2.01 1.33 4.07 -1.07 -1.84 115.31 117.21 2xbi h LEU 47 Ca 0.16 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 2xbi h LEU 47 Cb 0.03 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 2xbi h LEU 47 CO -0.09 0.59 -0.08 0.77 -1.08 0.00 0.00 178.44 178.56 2xbi h SER 48 N 1.09 0.00 1.67 -0.43 4.64 -0.35 -1.71 113.55 118.47 2xbi h SER 48 Ca 0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.73 2xbi h SER 48 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2xbi h SER 48 CO -0.20 0.08 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.18 2xbi h GLU 49 N 0.00 0.00 0.02 4.77 5.08 -0.92 -3.37 114.58 120.16 2xbi h GLU 49 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2xbi h GLU 49 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2xbi h GLU 49 CO 0.01 0.13 -2.12 1.17 -1.00 0.00 0.00 179.01 177.19 2xbi n LYS 50 N -3.05 0.68 -4.69 2.33 4.81 -0.68 -4.99 118.16 112.56 2xbi n LYS 50 Ca 0.02 0.16 -0.34 0.00 -0.87 0.00 0.00 58.31 57.29 2xbi n LYS 50 Cb 0.59 -1.64 -0.12 0.00 0.02 0.00 0.00 35.03 33.89 2xbi n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2xbi s TYR 51 N -2.54 2.88 -1.29 5.64 1.51 -0.97 -5.02 117.35 117.55 2xbi s TYR 51 Ca -0.15 -0.04 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 2xbi s TYR 51 Cb 0.07 -1.70 0.14 0.00 -0.11 0.00 0.00 41.96 40.36 2xbi s TYR 51 CO 0.78 0.28 1.81 -3.47 -1.11 0.00 0.00 175.55 173.84 2xbi n ASP 52 N 2.30 4.91 -4.24 2.29 -0.08 -1.26 -4.84 116.55 115.63 2xbi n ASP 52 Ca -0.18 -3.02 -0.13 0.00 -1.51 0.00 0.00 54.79 49.95 2xbi n ASP 52 Cb 0.53 -1.56 -0.10 0.00 2.34 0.00 0.00 41.12 42.33 2xbi n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xbi s ALA 53 N 1.48 1.32 -0.25 -1.67 0.00 -1.26 -4.70 121.76 116.69 2xbi s ALA 53 Ca 0.43 -1.64 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 2xbi s ALA 53 Cb 0.07 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2xbi s ALA 53 CO -0.00 -0.40 0.37 0.42 0.00 0.00 0.00 175.76 176.15 2xbi s ILE 54 N -3.79 5.19 -0.22 0.00 1.01 0.41 -3.60 121.20 120.19 2xbi s ILE 54 Ca 0.28 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 2xbi s ILE 54 Cb 0.07 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2xbi s ILE 54 CO 0.06 0.19 0.10 -0.36 0.00 0.00 0.00 174.94 174.93 2xbi s PHE 55 N 1.78 3.21 -0.07 3.97 0.40 -0.41 -0.62 117.98 126.24 2xbi s PHE 55 Ca 0.16 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 2xbi s PHE 55 Cb -0.15 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.20 2xbi s PHE 55 CO 0.09 -0.04 -0.14 0.08 0.70 0.00 0.00 175.22 175.91 2xbi s VAL 56 N 0.98 1.30 -0.18 -0.44 1.01 0.01 -0.78 120.40 122.30 2xbi s VAL 56 Ca 0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2xbi s VAL 56 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2xbi s VAL 56 CO 0.03 0.39 0.09 -0.54 0.00 0.00 0.00 175.10 175.07 2xbi s LYS 57 N 0.64 3.96 -0.18 2.72 1.02 0.39 -0.10 119.74 128.18 2xbi s LYS 57 Ca -0.15 -0.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 2xbi s LYS 57 Cb -0.16 -3.26 0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2xbi s LYS 57 CO 0.04 0.35 -0.05 0.08 -0.92 0.00 0.00 175.35 174.85 2xbi s VAL 58 N 0.19 1.18 -0.26 3.17 1.01 -0.01 -1.56 120.40 124.12 2xbi s VAL 58 Ca 0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2xbi s VAL 58 Cb -0.12 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2xbi s VAL 58 CO -0.00 0.07 1.29 -0.62 0.00 0.00 0.00 175.10 175.84 2xbi s ASP 59 N 1.59 6.75 0.47 3.32 -1.08 -1.26 -1.03 116.67 125.43 2xbi s ASP 59 Ca -0.01 1.35 0.32 0.00 -0.52 0.00 0.00 52.55 53.70 2xbi s ASP 59 Cb -0.16 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 2xbi s ASP 59 CO -0.07 -0.99 1.96 -0.37 0.52 0.00 0.00 175.17 176.22 2xbi h VAL 60 N 5.82 0.00 0.00 1.11 -1.51 -1.45 -0.65 116.25 119.58 2xbi h VAL 60 Ca -0.26 -0.22 -0.10 0.00 -1.23 0.00 0.00 66.70 64.89 2xbi h VAL 60 Cb 1.10 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 2xbi h VAL 60 CO 1.01 0.00 -1.24 0.47 -1.23 0.00 0.00 177.57 176.58 2xbi n ASP 61 N -2.73 0.86 0.03 4.19 8.00 -1.26 -3.35 116.55 122.28 2xbi n ASP 61 Ca -0.00 0.36 -0.19 0.00 0.71 0.00 0.00 54.79 55.67 2xbi n ASP 61 Cb 0.18 0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 41.41 2xbi n ASP 61 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2xbi h LYS 62 N 0.00 0.28 -2.55 -1.24 1.57 -1.61 -3.39 116.57 109.62 2xbi h LYS 62 Ca -0.10 -0.44 -0.70 0.00 -1.87 0.00 0.00 60.65 57.55 2xbi h LYS 62 Cb 1.35 0.16 -0.35 0.00 0.08 0.00 0.00 32.23 33.46 2xbi h LYS 62 CO 0.03 1.19 0.05 1.28 -0.57 0.00 0.00 179.45 181.42 2xbi n LEU 63 N -4.20 5.00 -0.16 2.94 4.32 -0.37 -4.51 117.00 120.02 2xbi n LEU 63 Ca -0.13 -5.34 -0.11 0.00 -0.02 0.00 0.00 56.01 50.41 2xbi n LEU 63 Cb 0.75 -0.96 -0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2xbi n LEU 63 CO 0.46 1.88 0.68 -0.33 -1.22 0.00 0.00 177.39 178.86 2xbi h GLU 64 N 4.80 0.95 -0.45 3.23 5.08 -1.77 -1.48 114.58 124.95 2xbi h GLU 64 Ca 0.20 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2xbi h GLU 64 Cb 0.64 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2xbi h GLU 64 CO 1.07 1.07 0.04 0.93 -1.00 0.00 0.00 179.01 181.11 2xbi h GLU 65 N 0.80 0.71 -0.42 2.33 5.08 -1.90 -1.35 114.58 119.84 2xbi h GLU 65 Ca 0.11 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2xbi h GLU 65 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2xbi h GLU 65 CO 0.06 0.70 -0.32 1.15 -1.00 0.00 0.00 179.01 179.60 2xbi h THR 66 N 0.68 1.27 -0.39 1.13 2.02 -1.88 -0.71 112.91 115.03 2xbi h THR 66 Ca 0.14 -1.49 0.02 0.00 0.77 0.00 0.00 66.41 65.86 2xbi h THR 66 Cb 0.36 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2xbi h THR 66 CO 0.01 0.50 0.21 0.00 0.37 0.00 0.00 175.52 176.62 2xbi h ALA 67 N 0.81 0.49 -0.23 6.16 0.00 -1.01 -2.33 119.26 123.14 2xbi h ALA 67 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2xbi h ALA 67 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2xbi h ALA 67 CO 0.08 -0.13 0.14 -0.09 0.00 0.00 0.00 179.25 179.25 2xbi h ARG 68 N 0.43 0.31 -0.38 0.00 2.43 -1.09 -1.54 114.38 114.55 2xbi h ARG 68 Ca 0.16 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2xbi h ARG 68 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2xbi h ARG 68 CO -0.09 0.26 0.26 -0.22 -1.51 0.00 0.00 179.97 178.66 2xbi h LYS 69 N 0.28 0.45 -0.47 0.20 3.64 -0.93 -1.22 116.57 118.53 2xbi h LYS 69 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2xbi h LYS 69 Cb 0.02 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2xbi h LYS 69 CO -0.02 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 2xbi n TYR 70 N -4.48 0.62 -3.74 1.91 4.02 -0.90 -4.94 117.16 109.65 2xbi n TYR 70 Ca 0.03 -0.31 -0.26 0.00 -0.01 0.00 0.00 57.90 57.35 2xbi n TYR 70 Cb 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.48 2xbi n TYR 70 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2xbi n ASN 71 N 1.02 -5.12 -4.71 7.72 5.15 -0.46 -4.93 115.26 113.93 2xbi n ASN 71 Ca 0.18 -0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 53.07 2xbi n ASN 71 Cb 0.45 -4.47 -0.03 0.00 -0.53 0.00 0.00 39.78 35.21 2xbi n ASN 71 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2xbi s ILE 72 N -3.34 4.59 0.09 -1.44 -1.09 -0.63 -4.94 121.20 114.45 2xbi s ILE 72 Ca 0.55 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 2xbi s ILE 72 Cb -0.26 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 2xbi s ILE 72 CO 0.78 0.13 0.00 -0.24 -1.23 0.00 0.00 174.94 174.38 2xbi n SER 73 N 4.01 0.94 -4.83 3.58 2.88 -1.26 -4.84 113.62 114.09 2xbi n SER 73 Ca 0.07 0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.41 2xbi n SER 73 Cb 0.49 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 2xbi n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xbi s ALA 74 N -2.00 3.06 0.04 -1.46 0.00 -1.26 -5.06 121.76 115.08 2xbi s ALA 74 Ca 0.00 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.31 2xbi s ALA 74 Cb 0.00 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2xbi s ALA 74 CO 0.00 -0.03 -0.19 -1.64 0.00 0.00 0.00 175.76 173.90 2xbi s MET 75 N -3.58 1.31 0.48 0.00 1.00 -1.26 -3.74 119.30 113.51 2xbi s MET 75 Ca 0.60 -0.89 -0.21 0.00 0.00 0.00 0.00 55.69 55.19 2xbi s MET 75 Cb -0.09 -1.39 -0.08 0.00 0.00 0.00 0.00 34.83 33.26 2xbi s MET 75 CO 0.22 0.36 1.09 -1.25 0.00 0.00 0.00 175.02 175.43 2xbi s PRO 76 N -1.12 3.76 -0.10 2.03 0.04 -1.26 -4.77 135.00 133.59 2xbi s PRO 76 Ca 0.06 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2xbi s PRO 76 Cb -0.08 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2xbi s PRO 76 CO 0.01 -0.50 -0.23 0.99 0.04 0.00 0.00 177.00 177.31 2xbi s THR 77 N -1.78 2.01 -0.21 1.26 2.01 -0.45 -0.23 115.64 118.24 2xbi s THR 77 Ca 0.66 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 2xbi s THR 77 Cb -0.22 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2xbi s THR 77 CO 0.26 0.55 0.03 -0.36 -0.69 0.00 0.00 174.62 174.41 2xbi s PHE 78 N 0.34 3.10 -0.13 4.92 0.40 0.44 -0.64 117.98 126.40 2xbi s PHE 78 Ca -0.18 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2xbi s PHE 78 Cb -0.18 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 2xbi s PHE 78 CO 0.08 -0.18 -0.10 0.42 0.70 0.00 0.00 175.22 176.14 2xbi s ILE 79 N 1.02 3.33 -0.17 0.64 -1.09 0.20 -0.49 121.20 124.64 2xbi s ILE 79 Ca 0.03 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 2xbi s ILE 79 Cb -0.14 -2.41 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 2xbi s ILE 79 CO 0.02 0.52 0.18 0.00 -1.23 0.00 0.00 174.94 174.44 2xbi s ALA 80 N 0.24 3.70 -0.07 9.38 0.00 0.07 -0.48 121.76 134.59 2xbi s ALA 80 Ca -0.07 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2xbi s ALA 80 Cb -0.15 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.79 2xbi s ALA 80 CO 0.04 0.24 -0.07 0.42 0.00 0.00 0.00 175.76 176.39 2xbi s ILE 81 N 0.07 0.84 -0.10 0.00 1.01 0.40 -0.13 121.20 123.29 2xbi s ILE 81 Ca 0.12 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2xbi s ILE 81 Cb -0.12 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.55 2xbi s ILE 81 CO 0.01 0.31 0.37 -0.75 0.00 0.00 0.00 174.94 174.88 2xbi s LYS 82 N 1.14 0.54 -1.44 2.79 2.20 -0.17 -1.15 119.74 123.65 2xbi s LYS 82 Ca -0.07 0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.75 2xbi s LYS 82 Cb -0.14 0.25 0.06 0.00 -1.51 0.00 0.00 37.83 36.49 2xbi s LYS 82 CO -0.01 -0.10 0.72 0.09 -0.36 0.00 0.00 175.35 175.69 2xbi n ASN 83 N 2.30 -4.86 0.00 1.43 3.02 -0.65 -1.82 115.26 114.68 2xbi n ASN 83 Ca -0.16 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2xbi n ASN 83 Cb 0.57 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2xbi n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xbi n GLY 84 N -1.48 0.65 3.39 7.41 0.00 -1.26 -5.06 105.19 108.84 2xbi n GLY 84 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2xbi n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xbi s GLU 85 N -0.82 1.21 0.16 1.61 -1.05 -0.76 -5.13 118.70 113.92 2xbi s GLU 85 Ca 0.00 -0.62 -0.31 0.00 -0.15 0.00 0.00 54.97 53.89 2xbi s GLU 85 Cb 0.00 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.13 2xbi s GLU 85 CO 0.00 -0.51 1.46 0.21 0.95 0.00 0.00 175.26 177.37 2xbi s LYS 86 N -3.79 4.28 -0.01 -4.83 2.20 -1.26 -1.00 119.74 115.33 2xbi s LYS 86 Ca 0.03 2.21 0.05 0.00 -0.36 0.00 0.00 55.97 57.90 2xbi s LYS 86 Cb 0.00 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2xbi s LYS 86 CO -0.11 -0.48 0.10 1.33 -0.36 0.00 0.00 175.35 175.82 2xbi n VAL 87 N 3.61 0.01 -3.72 4.02 0.24 0.81 -4.91 118.33 118.39 2xbi n VAL 87 Ca 0.11 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.34 62.27 2xbi n VAL 87 Cb 0.41 0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 33.11 2xbi n VAL 87 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2xbi s GLY 88 N -2.56 -0.27 0.07 7.63 0.00 -1.15 -4.99 107.32 106.05 2xbi s GLY 88 Ca -0.02 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.89 2xbi s GLY 88 CO 0.19 0.05 0.14 0.51 0.00 0.00 0.00 173.10 173.98 2xbi s ASP 89 N -2.89 0.18 -0.09 1.64 1.47 -1.26 -0.75 116.67 114.97 2xbi s ASP 89 Ca 0.12 -0.65 0.00 0.00 1.18 0.00 0.00 52.55 53.20 2xbi s ASP 89 Cb -0.01 0.29 0.02 0.00 -0.34 0.00 0.00 42.92 42.88 2xbi s ASP 89 CO 0.01 -0.64 -0.07 -0.69 0.68 0.00 0.00 175.17 174.45 2xbi s VAL 90 N -3.47 0.91 -0.26 2.11 1.01 0.36 -4.99 120.40 116.07 2xbi s VAL 90 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2xbi s VAL 90 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2xbi s VAL 90 CO -0.09 0.33 0.14 -0.69 0.00 0.00 0.00 175.10 174.79 2xbi s VAL 91 N 1.40 4.87 0.00 2.92 1.01 -1.26 -0.42 120.40 128.91 2xbi s VAL 91 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2xbi s VAL 91 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2xbi s VAL 91 CO -0.04 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2xbi n GLY 92 N 4.97 1.89 2.82 4.51 0.00 0.67 -4.85 105.19 115.20 2xbi n GLY 92 Ca -0.15 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2xbi n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xbi n ALA 93 N 1.22 5.48 -3.91 4.61 0.00 -1.26 -4.72 120.51 121.94 2xbi n ALA 93 Ca 0.00 -4.24 -0.30 0.00 0.00 0.00 0.00 53.44 48.90 2xbi n ALA 93 Cb 0.00 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.26 2xbi n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xbi s SER 94 N 1.15 4.25 0.32 0.00 0.15 -1.26 -4.98 113.70 113.33 2xbi s SER 94 Ca 0.41 -2.74 0.01 0.00 0.70 0.00 0.00 55.95 54.34 2xbi s SER 94 Cb 0.11 -1.49 0.53 0.00 -1.71 0.00 0.00 66.02 63.46 2xbi s SER 94 CO -0.01 -0.27 1.90 -0.29 1.20 0.00 0.00 173.24 175.77 2xbi h ILE 95 N 5.68 1.20 -0.72 6.45 6.09 -1.98 -1.99 117.51 132.25 2xbi h ILE 95 Ca -0.06 -0.62 0.01 0.00 -1.37 0.00 0.00 64.86 62.82 2xbi h ILE 95 Cb 0.93 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 38.76 2xbi h ILE 95 CO 0.61 0.24 0.47 0.00 -3.07 0.00 0.00 178.15 176.41 2xbi h ALA 96 N 1.47 0.92 -0.18 0.18 0.00 -2.00 -0.97 119.26 118.69 2xbi h ALA 96 Ca 0.18 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2xbi h ALA 96 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2xbi h ALA 96 CO -0.02 0.32 -0.41 0.87 0.00 0.00 0.00 179.25 180.01 2xbi h LYS 97 N 0.96 0.41 -0.20 0.00 1.57 -1.83 -1.45 116.57 116.04 2xbi h LYS 97 Ca 0.27 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2xbi h LYS 97 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2xbi h LYS 97 CO -0.06 0.76 0.10 0.28 -0.57 0.00 0.00 179.45 179.95 2xbi h VAL 98 N 0.34 1.13 -0.47 0.50 2.07 -1.02 -0.87 116.25 117.92 2xbi h VAL 98 Ca 0.03 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2xbi h VAL 98 Cb 0.87 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2xbi h VAL 98 CO 0.07 0.13 0.30 -0.08 0.02 0.00 0.00 177.57 178.01 2xbi h GLU 99 N 0.19 0.59 -0.86 1.57 4.81 -0.98 -1.29 114.58 118.61 2xbi h GLU 99 Ca 0.07 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 2xbi h GLU 99 Cb 0.11 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.27 2xbi h GLU 99 CO -0.01 0.39 0.48 -0.44 -0.73 0.00 0.00 179.01 178.70 2xbi h ASP 100 N 0.61 0.63 -0.42 1.04 3.32 -1.11 -0.83 116.42 119.66 2xbi h ASP 100 Ca 0.18 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2xbi h ASP 100 Cb -0.04 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2xbi h ASP 100 CO -0.06 0.30 0.13 -0.03 -1.72 0.00 0.00 179.24 177.87 2xbi h MET 101 N 0.72 0.65 -0.18 3.56 4.05 -0.37 -0.60 114.93 122.76 2xbi h MET 101 Ca 0.45 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.75 2xbi h MET 101 Cb 0.56 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2xbi h MET 101 CO -0.32 0.64 0.08 0.82 0.23 0.00 0.00 176.91 178.36 2xbi h ILE 102 N 0.54 0.98 -0.49 1.77 2.04 -0.82 -1.52 117.51 120.00 2xbi h ILE 102 Ca 0.14 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2xbi h ILE 102 Cb 0.26 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2xbi h ILE 102 CO -0.00 0.03 0.31 0.11 0.00 0.00 0.00 178.15 178.60 2xbi h LYS 103 N 0.17 0.66 -0.39 2.37 1.57 -1.02 0.12 116.57 120.05 2xbi h LYS 103 Ca 0.08 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2xbi h LYS 103 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2xbi h LYS 103 CO -0.06 0.45 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.74 2xbi h LYS 104 N 0.67 0.86 0.00 3.15 3.64 -0.71 -3.36 116.57 120.83 2xbi h LYS 104 Ca 0.18 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2xbi h LYS 104 Cb -0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2xbi h LYS 104 CO -0.04 1.05 -0.52 1.19 -2.27 0.00 0.00 179.45 178.86 2xbi n PHE 105 N -4.08 0.00 0.68 1.91 3.01 -0.61 -5.10 117.46 113.28 2xbi n PHE 105 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.50 2xbi n PHE 105 Cb 0.50 -0.01 0.33 0.00 -0.01 0.00 0.00 39.48 40.28 2xbi n PHE 105 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28