#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbq s GLU 3 N 0.00 2.55 -0.21 4.33 2.02 -1.26 -5.07 118.70 121.06 2xbq s GLU 3 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 2xbq s GLU 3 Cb 0.00 -2.05 0.06 0.00 0.10 0.00 0.00 34.13 32.24 2xbq s GLU 3 CO 0.00 0.03 -0.02 -1.17 0.02 0.00 0.00 175.26 174.13 2xbq s LEU 4 N 0.71 1.88 -0.12 1.80 2.96 -1.25 -1.64 118.68 123.01 2xbq s LEU 4 Ca -0.12 -0.96 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 2xbq s LEU 4 Cb -0.16 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.63 2xbq s LEU 4 CO 0.02 -0.26 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.94 2xbq s ILE 5 N 1.61 2.11 -0.28 6.68 1.01 0.24 -5.00 121.20 127.58 2xbq s ILE 5 Ca -0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 2xbq s ILE 5 Cb -0.18 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2xbq s ILE 5 CO -0.07 0.55 0.11 -0.70 0.00 0.00 0.00 174.94 174.83 2xbq s GLU 6 N 0.60 3.56 0.64 2.79 2.12 -1.26 -0.74 118.70 126.41 2xbq s GLU 6 Ca -0.12 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 2xbq s GLU 6 Cb -0.17 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.78 2xbq s GLU 6 CO 0.03 -0.28 1.00 -0.51 -0.54 0.00 0.00 175.26 174.96 2xbq s LEU 7 N 1.63 3.10 -0.05 2.70 1.43 -0.69 -4.97 118.68 121.81 2xbq s LEU 7 Ca 0.06 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2xbq s LEU 7 Cb -0.16 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 2xbq s LEU 7 CO 0.05 -1.15 -0.01 0.29 0.23 0.00 0.00 176.35 175.76 2xbq n LYS 8 N -2.78 1.86 -3.53 1.70 5.02 -1.26 -4.74 118.16 114.43 2xbq n LYS 8 Ca 0.06 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 2xbq n LYS 8 Cb 0.57 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 34.42 2xbq n LYS 8 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2xbq s GLN 9 N -2.11 1.10 0.19 1.97 -2.07 -1.26 -4.72 119.66 112.75 2xbq s GLN 9 Ca -0.05 -0.22 -0.32 0.00 -1.82 0.00 0.00 55.36 52.95 2xbq s GLN 9 Cb 0.02 0.51 -0.15 0.00 -1.09 0.00 0.00 33.01 32.29 2xbq s GLN 9 CO 0.16 -0.41 1.15 -0.25 -1.32 0.00 0.00 175.29 174.62 2xbq n ASP 10 N 0.28 1.37 0.00 12.60 8.00 -1.26 -1.42 116.55 136.11 2xbq n ASP 10 Ca -0.18 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.47 2xbq n ASP 10 Cb 0.61 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 2xbq n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xbq n GLY 11 N 1.95 2.41 0.36 0.44 0.00 -1.26 -4.94 105.19 104.15 2xbq n GLY 11 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2xbq n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xbq h ASP 12 N 0.46 0.94 -0.18 1.61 3.32 -1.68 -2.47 116.42 118.42 2xbq h ASP 12 Ca 0.00 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 2xbq h ASP 12 Cb 0.00 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2xbq h ASP 12 CO 0.00 0.65 -0.54 0.25 -1.72 0.00 0.00 179.24 177.88 2xbq h LEU 13 N 1.09 0.85 -0.84 1.55 5.85 -1.92 -1.72 115.31 120.17 2xbq h LEU 13 Ca 0.35 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2xbq h LEU 13 Cb 0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2xbq h LEU 13 CO -0.11 1.22 0.00 -0.33 -0.34 0.00 0.00 178.44 178.89 2xbq h GLU 14 N 0.59 0.87 -0.46 1.25 3.07 -1.91 -0.99 114.58 117.00 2xbq h GLU 14 Ca 0.01 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 2xbq h GLU 14 Cb 1.13 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 2xbq h GLU 14 CO 0.11 0.86 0.17 0.77 -1.40 0.00 0.00 179.01 179.53 2xbq h SER 15 N 0.80 0.64 -0.19 1.42 0.02 -1.36 -2.36 113.55 112.52 2xbq h SER 15 Ca 0.15 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2xbq h SER 15 Cb 0.48 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2xbq h SER 15 CO 0.02 0.65 0.01 0.25 -1.14 0.00 0.00 176.83 176.62 2xbq h LEU 16 N 0.60 -0.05 -0.85 5.07 6.46 -1.01 -1.27 115.31 124.26 2xbq h LEU 16 Ca 0.15 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2xbq h LEU 16 Cb 0.21 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 2xbq h LEU 16 CO -0.01 -0.00 0.53 -0.07 -0.62 0.00 0.00 178.44 178.26 2xbq h LEU 17 N 0.07 1.01 -0.86 2.25 3.38 -1.09 -1.64 115.31 118.44 2xbq h LEU 17 Ca 0.09 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2xbq h LEU 17 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2xbq h LEU 17 CO -0.14 0.77 -0.11 -0.08 0.09 0.00 0.00 178.44 178.97 2xbq h GLU 18 N 1.17 0.73 0.00 1.13 4.81 -1.20 -2.53 114.58 118.69 2xbq h GLU 18 Ca 0.31 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2xbq h GLU 18 Cb -0.07 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2xbq h GLU 18 CO -0.06 0.82 0.00 1.04 -0.73 0.00 0.00 179.01 180.08 2xbq n GLN 19 N -4.17 0.37 -2.57 1.92 6.02 -0.50 -3.97 117.38 114.48 2xbq n GLN 19 Ca 0.01 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 2xbq n GLN 19 Cb 0.36 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.14 2xbq n GLN 19 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2xbq n HIS 20 N -1.31 2.07 0.19 1.08 8.25 -0.67 -4.96 115.22 119.87 2xbq n HIS 20 Ca 0.13 -2.79 0.03 0.00 -0.26 0.00 0.00 57.72 54.84 2xbq n HIS 20 Cb 0.25 -0.26 0.39 0.00 1.12 0.00 0.00 29.99 31.49 2xbq n HIS 20 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2xbq h LYS 21 N 2.75 0.00 -0.88 -0.41 2.10 -1.67 -2.96 116.57 115.50 2xbq h LYS 21 Ca 0.07 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.12 2xbq h LYS 21 Cb 1.13 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 32.13 2xbq h LYS 21 CO 0.61 0.34 0.22 0.09 -2.00 0.00 0.00 179.45 178.70 2xbq n ASN 22 N -4.07 6.29 -3.89 7.07 3.02 -1.26 -4.45 115.26 117.96 2xbq n ASN 22 Ca -0.02 -3.77 -0.10 0.00 -0.03 0.00 0.00 54.58 50.66 2xbq n ASN 22 Cb 0.38 -0.73 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 2xbq n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2xbq s LYS 23 N -3.70 0.64 0.20 3.52 1.02 -1.12 -5.12 119.74 115.18 2xbq s LYS 23 Ca 0.59 -0.70 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 2xbq s LYS 23 Cb 0.47 0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 37.94 2xbq s LYS 23 CO 0.01 -0.17 1.47 -1.17 -0.92 0.00 0.00 175.35 174.57 2xbq s LEU 24 N -2.13 4.38 -0.11 3.17 2.96 -1.26 -4.71 118.68 120.98 2xbq s LEU 24 Ca -0.05 2.59 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2xbq s LEU 24 Cb -0.01 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2xbq s LEU 24 CO -0.04 -0.72 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.44 2xbq s VAL 25 N 0.51 3.08 -0.14 1.68 1.01 -0.59 -0.99 120.40 124.95 2xbq s VAL 25 Ca 0.63 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2xbq s VAL 25 Cb -0.41 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2xbq s VAL 25 CO 0.37 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 175.18 2xbq s VAL 26 N 0.08 1.57 -0.17 2.92 1.01 0.35 -1.02 120.40 125.15 2xbq s VAL 26 Ca -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2xbq s VAL 26 Cb -0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2xbq s VAL 26 CO 0.04 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2xbq s VAL 27 N 1.38 3.77 -0.51 2.92 1.01 -0.02 -1.18 120.40 127.76 2xbq s VAL 27 Ca 0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2xbq s VAL 27 Cb -0.13 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.68 2xbq s VAL 27 CO -0.09 0.48 0.50 -0.62 0.00 0.00 0.00 175.10 175.36 2xbq s ASP 28 N 0.60 6.18 -0.22 3.32 -1.08 0.27 -0.76 116.67 124.98 2xbq s ASP 28 Ca -0.03 -1.40 -0.25 0.00 -0.52 0.00 0.00 52.55 50.35 2xbq s ASP 28 Cb -0.14 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.09 2xbq s ASP 28 CO 0.03 -0.80 0.82 -0.36 0.52 0.00 0.00 175.17 175.38 2xbq s PHE 29 N 1.91 3.34 0.29 -5.34 0.08 0.04 -0.98 117.98 117.33 2xbq s PHE 29 Ca 0.06 1.17 0.03 0.00 0.12 0.00 0.00 56.93 58.31 2xbq s PHE 29 Cb -0.25 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2xbq s PHE 29 CO 0.06 -0.35 0.15 -0.59 -0.10 0.00 0.00 175.22 174.40 2xbq s PHE 30 N 2.61 1.57 0.04 0.36 -0.71 -0.12 -1.96 117.98 119.78 2xbq s PHE 30 Ca 0.36 -1.35 -0.01 0.00 -1.04 0.00 0.00 56.93 54.88 2xbq s PHE 30 Cb -0.16 -0.85 -0.03 0.00 -1.21 0.00 0.00 43.02 40.78 2xbq s PHE 30 CO 0.09 -0.51 -0.02 0.00 -1.34 0.00 0.00 175.22 173.43 2xbq s ALA 31 N -3.65 0.33 0.35 1.99 0.00 -1.26 -1.22 121.76 118.31 2xbq s ALA 31 Ca 0.36 -0.94 0.17 0.00 0.00 0.00 0.00 51.96 51.54 2xbq s ALA 31 Cb 0.05 0.23 0.87 0.00 0.00 0.00 0.00 23.12 24.27 2xbq s ALA 31 CO 0.17 -0.29 1.87 1.79 0.00 0.00 0.00 175.76 179.30 2xbq h THR 32 N 3.73 1.07 -0.00 0.00 1.35 -1.99 -2.79 112.91 114.27 2xbq h THR 32 Ca -0.33 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2xbq h THR 32 Cb 1.17 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2xbq h THR 32 CO 0.56 0.31 -0.06 -2.67 -0.25 0.00 0.00 175.52 173.41 2xbq n TRP 33 N -3.94 0.00 -3.49 4.73 4.27 -1.26 -4.91 117.44 112.85 2xbq n TRP 33 Ca -0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.19 2xbq n TRP 33 Cb 0.38 -0.13 -0.10 0.00 -1.36 0.00 0.00 31.31 30.10 2xbq n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2xbq h GLY 35 N 8.57 0.16 2.00 0.00 0.00 -1.90 -3.01 103.07 108.88 2xbq h GLY 35 Ca -0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2xbq h GLY 35 CO 0.65 0.09 -0.02 -2.55 0.00 0.00 0.00 176.54 174.71 2xbq h PRO 36 N -0.02 0.00 -0.54 4.80 0.11 -1.94 -1.94 132.00 132.47 2xbq h PRO 36 Ca 0.03 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 2xbq h PRO 36 Cb 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2xbq h PRO 36 CO -0.00 0.02 -0.01 0.00 -0.21 0.00 0.00 178.00 177.79 2xbq h LYS 38 N 0.84 0.55 -0.38 0.00 1.57 -1.26 -2.17 116.57 115.72 2xbq h LYS 38 Ca 0.15 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2xbq h LYS 38 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2xbq h LYS 38 CO 0.03 0.88 0.15 1.15 -0.57 0.00 0.00 179.45 181.08 2xbq h THR 39 N 0.45 1.19 0.00 -0.16 2.02 -1.11 -3.21 112.91 112.09 2xbq h THR 39 Ca 0.03 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2xbq h THR 39 Cb 0.93 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2xbq h THR 39 CO 0.08 0.22 0.00 -0.29 0.37 0.00 0.00 175.52 175.90 2xbq h ILE 40 N 0.47 0.00 -0.40 3.11 2.10 -1.35 -3.39 117.51 118.06 2xbq h ILE 40 Ca 0.13 -0.95 0.08 0.00 1.08 0.00 0.00 64.86 65.20 2xbq h ILE 40 Cb 0.19 1.95 -0.09 0.00 -1.09 0.00 0.00 36.82 37.78 2xbq h ILE 40 CO -0.01 0.00 -0.30 0.00 -1.08 0.00 0.00 178.15 176.76 2xbq h ALA 41 N 2.02 -0.11 0.00 0.18 0.00 -1.39 0.67 119.26 120.63 2xbq h ALA 41 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2xbq h ALA 41 Cb 0.96 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2xbq h ALA 41 CO 0.00 -0.69 -0.14 -1.00 0.00 0.00 0.00 179.25 177.42 2xbq h PRO 42 N -0.23 0.00 -0.13 0.00 0.13 -1.78 -1.53 132.00 128.46 2xbq h PRO 42 Ca 0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.10 2xbq h PRO 42 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2xbq h PRO 42 CO -0.53 0.14 -0.75 -0.07 -0.23 0.00 0.00 178.00 176.56 2xbq h LEU 43 N 0.00 0.79 -0.72 1.56 4.07 -1.29 -0.70 115.31 119.02 2xbq h LEU 43 Ca -0.00 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 2xbq h LEU 43 Cb 0.48 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 2xbq h LEU 43 CO 0.02 1.29 0.42 0.15 -1.08 0.00 0.00 178.44 179.24 2xbq h PHE 44 N 0.46 0.97 -0.74 1.13 3.57 -0.43 -1.83 116.94 120.07 2xbq h PHE 44 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2xbq h PHE 44 Cb 1.36 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2xbq h PHE 44 CO 0.07 0.66 0.44 -0.22 -2.23 0.00 0.00 178.31 177.03 2xbq h LYS 45 N 0.99 1.02 -0.75 1.11 3.64 -1.16 -1.57 116.57 119.85 2xbq h LYS 45 Ca 0.26 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2xbq h LYS 45 Cb -0.01 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.55 2xbq h LYS 45 CO -0.05 0.73 0.47 0.93 -2.27 0.00 0.00 179.45 179.27 2xbq h GLU 46 N 1.02 0.88 -0.64 1.90 5.08 -0.79 -1.62 114.58 120.41 2xbq h GLU 46 Ca 0.27 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2xbq h GLU 46 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2xbq h GLU 46 CO -0.05 0.58 0.31 -0.07 -1.00 0.00 0.00 179.01 178.79 2xbq h LEU 47 N 0.91 0.81 -2.23 1.33 3.38 -0.77 -2.06 115.31 116.68 2xbq h LEU 47 Ca 0.30 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2xbq h LEU 47 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2xbq h LEU 47 CO -0.12 0.69 -0.02 0.77 0.09 0.00 0.00 178.44 179.85 2xbq h SER 48 N 0.90 0.00 0.14 -0.43 4.64 -0.33 -0.65 113.55 117.82 2xbq h SER 48 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2xbq h SER 48 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2xbq h SER 48 CO -0.03 0.02 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.19 2xbq n GLU 49 N -4.11 1.17 -0.01 4.77 1.02 -0.79 -3.81 120.64 118.88 2xbq n GLU 49 Ca -0.03 -0.66 0.03 0.00 -0.02 0.00 0.00 57.16 56.48 2xbq n GLU 49 Cb 0.10 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 2xbq n GLU 49 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2xbq n LYS 50 N -0.33 0.79 -4.61 3.49 4.81 -0.32 -4.99 118.16 117.01 2xbq n LYS 50 Ca 0.15 -0.07 -0.22 0.00 -0.87 0.00 0.00 58.31 57.30 2xbq n LYS 50 Cb 0.34 -1.24 -0.15 0.00 0.02 0.00 0.00 35.03 34.00 2xbq n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2xbq s TYR 51 N -2.61 1.25 -1.33 5.64 2.02 -0.78 -5.07 117.35 116.48 2xbq s TYR 51 Ca -0.04 -0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.28 2xbq s TYR 51 Cb 0.06 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 40.93 2xbq s TYR 51 CO 0.42 -0.01 1.87 -3.47 -1.57 0.00 0.00 175.55 172.79 2xbq n ASP 52 N 2.64 4.71 -4.03 2.29 2.03 -1.26 -4.29 116.55 118.64 2xbq n ASP 52 Ca -0.15 -2.96 -0.12 0.00 0.52 0.00 0.00 54.79 52.08 2xbq n ASP 52 Cb 0.55 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.26 2xbq n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xbq s ALA 53 N 2.27 0.81 -0.27 -1.67 0.00 -1.26 -4.76 121.76 116.89 2xbq s ALA 53 Ca 0.45 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2xbq s ALA 53 Cb 0.07 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.45 2xbq s ALA 53 CO -0.01 -0.68 0.33 0.42 0.00 0.00 0.00 175.76 175.82 2xbq s ILE 54 N -4.00 5.21 -0.16 0.00 -1.09 -0.16 -4.33 121.20 116.67 2xbq s ILE 54 Ca 0.34 0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 59.17 2xbq s ILE 54 Cb 0.04 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2xbq s ILE 54 CO 0.13 0.19 0.06 -0.36 -1.23 0.00 0.00 174.94 173.72 2xbq s PHE 55 N 1.94 3.27 0.00 3.97 0.08 -0.65 -0.49 117.98 126.09 2xbq s PHE 55 Ca 0.13 0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2xbq s PHE 55 Cb -0.16 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2xbq s PHE 55 CO 0.10 0.27 -0.12 0.08 -0.10 0.00 0.00 175.22 175.46 2xbq s VAL 56 N -0.03 0.91 -0.14 -0.44 1.01 -0.33 -0.59 120.40 120.80 2xbq s VAL 56 Ca 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2xbq s VAL 56 Cb -0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2xbq s VAL 56 CO 0.01 0.16 -0.16 -0.54 0.00 0.00 0.00 175.10 174.58 2xbq s LYS 57 N -0.52 3.25 -0.21 2.72 1.02 0.08 -0.56 119.74 125.52 2xbq s LYS 57 Ca 0.03 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2xbq s LYS 57 Cb -0.05 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2xbq s LYS 57 CO -0.00 0.10 -0.05 0.08 -0.92 0.00 0.00 175.35 174.56 2xbq s VAL 58 N 0.60 1.32 -0.24 3.17 1.01 -0.15 -1.71 120.40 124.40 2xbq s VAL 58 Ca -0.09 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2xbq s VAL 58 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2xbq s VAL 58 CO 0.03 -0.03 1.34 -0.62 0.00 0.00 0.00 175.10 175.81 2xbq s ASP 59 N 1.51 6.72 0.29 3.32 -1.08 -1.26 -0.94 116.67 125.23 2xbq s ASP 59 Ca -0.03 1.44 0.23 0.00 -0.52 0.00 0.00 52.55 53.67 2xbq s ASP 59 Cb -0.18 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.81 2xbq s ASP 59 CO -0.07 -1.00 1.70 1.33 0.52 0.00 0.00 175.17 177.66 2xbq n VAL 60 N 5.95 0.89 0.84 1.11 0.24 -0.36 -1.32 118.33 125.68 2xbq n VAL 60 Ca 0.15 0.40 0.11 0.00 -2.04 0.00 0.00 64.34 62.96 2xbq n VAL 60 Cb 0.46 -1.36 0.08 0.00 -1.47 0.00 0.00 33.84 31.55 2xbq n VAL 60 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2xbq n ASP 61 N -2.27 0.66 -0.09 -1.34 8.00 -1.26 -3.45 116.55 116.80 2xbq n ASP 61 Ca 0.01 -0.41 -0.11 0.00 0.71 0.00 0.00 54.79 54.99 2xbq n ASP 61 Cb 0.17 0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 41.73 2xbq n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2xbq n LYS 62 N -1.67 0.68 -2.89 -1.24 5.02 -0.55 -4.60 118.16 112.90 2xbq n LYS 62 Ca 0.04 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 2xbq n LYS 62 Cb 0.37 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2xbq n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2xbq n LEU 63 N -2.88 4.92 -0.22 -0.35 4.32 -0.43 -4.31 117.00 118.06 2xbq n LEU 63 Ca -0.32 -5.64 -0.02 0.00 -0.02 0.00 0.00 56.01 50.01 2xbq n LEU 63 Cb 1.12 -0.65 0.18 0.00 -1.62 0.00 0.00 43.42 42.45 2xbq n LEU 63 CO 0.41 2.31 1.11 -0.33 -1.22 0.00 0.00 177.39 179.68 2xbq h GLU 64 N 3.16 1.01 0.00 3.23 5.08 -1.81 -1.59 114.58 123.66 2xbq h GLU 64 Ca 0.19 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2xbq h GLU 64 Cb 0.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2xbq h GLU 64 CO 0.87 0.78 -0.79 0.93 -1.00 0.00 0.00 179.01 179.80 2xbq h GLU 65 N 1.01 0.00 -0.15 2.33 4.39 -1.92 -2.17 114.58 118.07 2xbq h GLU 65 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2xbq h GLU 65 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2xbq h GLU 65 CO -0.03 0.79 0.09 1.15 -1.16 0.00 0.00 179.01 179.84 2xbq h THR 66 N 0.00 1.08 -0.63 1.13 2.02 -1.87 -0.66 112.91 113.98 2xbq h THR 66 Ca -0.01 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.05 2xbq h THR 66 Cb 1.53 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 2xbq h THR 66 CO 0.10 0.08 0.26 0.00 0.37 0.00 0.00 175.52 176.33 2xbq h ALA 67 N 1.00 0.84 -0.36 6.16 0.00 -1.22 -1.55 119.26 124.12 2xbq h ALA 67 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2xbq h ALA 67 Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2xbq h ALA 67 CO -0.01 -0.15 0.23 0.00 0.00 0.00 0.00 179.25 179.32 2xbq h ARG 68 N 0.46 0.46 -0.21 0.00 3.08 -1.22 -2.02 114.38 114.93 2xbq h ARG 68 Ca 0.32 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 2xbq h ARG 68 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2xbq h ARG 68 CO -0.29 0.30 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.65 2xbq h LYS 69 N 0.47 0.31 -0.55 0.04 3.64 -0.41 0.07 116.57 120.13 2xbq h LYS 69 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2xbq h LYS 69 Cb -0.04 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2xbq h LYS 69 CO -0.04 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 2xbq n TYR 70 N -4.33 0.84 -4.00 1.91 4.01 -0.65 -4.97 117.16 109.97 2xbq n TYR 70 Ca 0.00 -0.38 -0.30 0.00 -0.16 0.00 0.00 57.90 57.06 2xbq n TYR 70 Cb 0.22 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2xbq n TYR 70 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2xbq n ASN 71 N 0.90 -2.93 -4.70 7.72 5.15 0.01 -4.91 115.26 116.49 2xbq n ASN 71 Ca 0.18 -0.91 -0.42 0.00 -0.60 0.00 0.00 54.58 52.83 2xbq n ASN 71 Cb 0.53 -3.35 -0.03 0.00 -0.53 0.00 0.00 39.78 36.39 2xbq n ASN 71 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2xbq s ILE 72 N -3.48 4.14 0.04 -1.44 -1.09 -0.81 -4.92 121.20 113.64 2xbq s ILE 72 Ca 0.47 1.51 -0.00 0.00 -2.23 0.00 0.00 60.65 60.40 2xbq s ILE 72 Cb -0.25 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2xbq s ILE 72 CO 0.87 0.06 -0.01 -1.54 -1.23 0.00 0.00 174.94 173.10 2xbq n SER 73 N 4.54 0.53 -4.78 3.58 3.41 -1.26 -4.88 113.62 114.76 2xbq n SER 73 Ca 0.10 0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 2xbq n SER 73 Cb 0.46 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2xbq n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xbq s ALA 74 N -2.03 3.02 -0.11 7.33 0.00 -1.26 -5.06 121.76 123.65 2xbq s ALA 74 Ca -0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2xbq s ALA 74 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2xbq s ALA 74 CO 0.01 -0.35 -0.17 -1.64 0.00 0.00 0.00 175.76 173.60 2xbq s MET 75 N -2.67 3.16 0.72 0.00 1.00 -1.26 -3.55 119.30 116.70 2xbq s MET 75 Ca 0.61 -0.76 -0.11 0.00 0.00 0.00 0.00 55.69 55.42 2xbq s MET 75 Cb -0.23 -2.48 0.02 0.00 0.00 0.00 0.00 34.83 32.15 2xbq s MET 75 CO 0.28 0.25 1.10 -1.25 0.00 0.00 0.00 175.02 175.40 2xbq s PRO 76 N 0.23 2.71 -0.04 2.03 0.04 -1.26 -4.74 135.00 133.97 2xbq s PRO 76 Ca -0.11 0.49 0.03 0.00 0.04 0.00 0.00 61.00 61.45 2xbq s PRO 76 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2xbq s PRO 76 CO 0.06 -1.15 -0.13 0.99 0.04 0.00 0.00 177.00 176.82 2xbq s THR 77 N -3.33 1.10 -0.15 1.26 2.01 -0.83 -0.66 115.64 115.04 2xbq s THR 77 Ca 0.59 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 2xbq s THR 77 Cb -0.12 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2xbq s THR 77 CO 0.52 0.33 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.40 2xbq s PHE 78 N 0.27 3.06 -0.11 4.92 0.08 0.23 -0.78 117.98 125.65 2xbq s PHE 78 Ca -0.06 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.81 2xbq s PHE 78 Cb -0.12 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2xbq s PHE 78 CO 0.02 0.04 -0.23 0.42 -0.10 0.00 0.00 175.22 175.37 2xbq s ILE 79 N 0.22 2.01 -0.11 0.64 1.01 0.06 -1.02 121.20 124.01 2xbq s ILE 79 Ca -0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 2xbq s ILE 79 Cb -0.14 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2xbq s ILE 79 CO 0.03 0.55 0.23 0.00 0.00 0.00 0.00 174.94 175.75 2xbq s ALA 80 N 0.48 3.74 -0.09 9.38 0.00 -0.28 -0.84 121.76 134.16 2xbq s ALA 80 Ca -0.16 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2xbq s ALA 80 Cb -0.17 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.78 2xbq s ALA 80 CO 0.06 0.40 -0.08 0.42 0.00 0.00 0.00 175.76 176.56 2xbq s ILE 81 N -0.49 0.96 -0.03 0.00 1.01 -0.19 -0.71 121.20 121.74 2xbq s ILE 81 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2xbq s ILE 81 Cb -0.13 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2xbq s ILE 81 CO 0.05 0.34 0.06 -0.75 0.00 0.00 0.00 174.94 174.64 2xbq s LYS 82 N 1.30 -0.03 -1.36 2.79 2.47 -0.31 -1.54 119.74 123.06 2xbq s LYS 82 Ca -0.03 0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.67 2xbq s LYS 82 Cb -0.14 -0.32 0.00 0.00 -1.46 0.00 0.00 37.83 35.92 2xbq s LYS 82 CO -0.03 -0.22 0.00 -1.71 0.16 0.00 0.00 175.35 173.54 2xbq n ASN 83 N 4.57 -4.60 0.00 1.43 5.15 -1.26 -2.19 115.26 118.36 2xbq n ASN 83 Ca -0.19 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 2xbq n ASN 83 Cb 0.50 -3.90 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 2xbq n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2xbq n GLY 84 N -0.82 3.04 3.80 8.20 0.00 -1.26 -5.00 105.19 113.14 2xbq n GLY 84 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2xbq n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xbq s GLU 85 N -0.15 4.28 0.11 1.61 2.12 -0.93 -5.03 118.70 120.71 2xbq s GLU 85 Ca 0.00 0.82 -0.31 0.00 0.36 0.00 0.00 54.97 55.84 2xbq s GLU 85 Cb 0.00 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.04 2xbq s GLU 85 CO 0.00 0.60 1.73 0.21 -0.54 0.00 0.00 175.26 177.27 2xbq s LYS 86 N -1.04 4.17 -0.00 4.30 2.20 -1.26 -1.17 119.74 126.94 2xbq s LYS 86 Ca 0.30 2.47 0.01 0.00 -0.36 0.00 0.00 55.97 58.40 2xbq s LYS 86 Cb -0.20 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 2xbq s LYS 86 CO 0.20 -0.78 0.04 1.33 -0.36 0.00 0.00 175.35 175.79 2xbq n VAL 87 N 4.65 0.00 -3.64 4.02 0.24 0.11 -4.95 118.33 118.77 2xbq n VAL 87 Ca 0.17 -0.15 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 2xbq n VAL 87 Cb 0.39 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 2xbq n VAL 87 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2xbq s GLY 88 N -1.88 -0.35 0.04 7.63 0.00 -1.19 -4.99 107.32 106.58 2xbq s GLY 88 Ca -0.00 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 2xbq s GLY 88 CO 0.06 0.11 0.27 0.51 0.00 0.00 0.00 173.10 174.05 2xbq s ASP 89 N -2.77 -0.07 -0.12 1.64 1.47 -1.26 -1.12 116.67 114.44 2xbq s ASP 89 Ca 0.08 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.55 2xbq s ASP 89 Cb -0.02 0.34 0.02 0.00 -0.34 0.00 0.00 42.92 42.92 2xbq s ASP 89 CO -0.03 -0.60 -0.12 -0.69 0.68 0.00 0.00 175.17 174.41 2xbq s VAL 90 N -2.61 1.33 -0.36 2.11 1.01 -0.19 -4.99 120.40 116.69 2xbq s VAL 90 Ca -0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2xbq s VAL 90 Cb -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 2xbq s VAL 90 CO -0.04 0.42 0.44 -0.69 0.00 0.00 0.00 175.10 175.22 2xbq s VAL 91 N 1.42 5.09 0.00 2.92 1.01 -1.26 -0.60 120.40 128.98 2xbq s VAL 91 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2xbq s VAL 91 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2xbq s VAL 91 CO -0.07 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2xbq n GLY 92 N 4.93 1.89 2.75 4.51 0.00 0.17 -4.82 105.19 114.61 2xbq n GLY 92 Ca -0.07 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2xbq n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xbq n ALA 93 N 1.42 5.59 -3.71 4.61 0.00 -1.26 -4.76 120.51 122.40 2xbq n ALA 93 Ca 0.00 -3.99 -0.37 0.00 0.00 0.00 0.00 53.44 49.08 2xbq n ALA 93 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 19.45 15.97 2xbq n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xbq s SER 94 N 2.51 5.38 0.30 0.00 0.15 -1.26 -4.97 113.70 115.80 2xbq s SER 94 Ca 0.46 -2.26 0.05 0.00 0.70 0.00 0.00 55.95 54.90 2xbq s SER 94 Cb 0.13 -1.88 0.47 0.00 -1.71 0.00 0.00 66.02 63.03 2xbq s SER 94 CO -0.06 -0.52 1.73 -0.29 1.20 0.00 0.00 173.24 175.29 2xbq h ILE 95 N 5.97 1.27 -0.57 6.45 6.09 -1.98 -0.99 117.51 133.75 2xbq h ILE 95 Ca -0.11 -1.33 -0.01 0.00 -1.37 0.00 0.00 64.86 62.05 2xbq h ILE 95 Cb 1.02 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 39.77 2xbq h ILE 95 CO 0.74 0.41 0.31 0.00 -3.07 0.00 0.00 178.15 176.53 2xbq h ALA 96 N 1.37 0.73 -0.07 0.18 0.00 -2.00 -1.14 119.26 118.34 2xbq h ALA 96 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2xbq h ALA 96 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2xbq h ALA 96 CO 0.05 0.25 -0.47 0.87 0.00 0.00 0.00 179.25 179.95 2xbq h LYS 97 N 0.77 0.16 -0.17 0.00 1.57 -1.89 -1.04 116.57 115.97 2xbq h LYS 97 Ca 0.20 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2xbq h LYS 97 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2xbq h LYS 97 CO -0.03 0.60 0.09 0.28 -0.57 0.00 0.00 179.45 179.83 2xbq h VAL 98 N 0.13 1.10 -0.68 0.50 2.07 -0.95 -1.66 116.25 116.77 2xbq h VAL 98 Ca 0.01 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2xbq h VAL 98 Cb 0.89 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2xbq h VAL 98 CO 0.07 0.10 0.28 -0.08 0.02 0.00 0.00 177.57 177.96 2xbq h GLU 99 N 0.18 0.99 -0.97 1.57 4.81 -0.95 -0.82 114.58 119.38 2xbq h GLU 99 Ca 0.06 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2xbq h GLU 99 Cb 0.07 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 2xbq h GLU 99 CO -0.01 0.80 0.62 -0.44 -0.73 0.00 0.00 179.01 179.24 2xbq h ASP 100 N 0.98 1.14 -0.34 1.04 3.32 -1.05 -0.63 116.42 120.88 2xbq h ASP 100 Ca 0.23 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2xbq h ASP 100 Cb 0.17 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2xbq h ASP 100 CO -0.02 0.85 0.14 -0.03 -1.72 0.00 0.00 179.24 178.46 2xbq h MET 101 N 1.33 0.50 -0.25 3.56 4.05 -0.60 -1.72 114.93 121.80 2xbq h MET 101 Ca 0.35 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2xbq h MET 101 Cb -0.11 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 2xbq h MET 101 CO -0.07 0.49 0.13 0.82 0.23 0.00 0.00 176.91 178.51 2xbq h ILE 102 N 0.40 1.00 -0.82 1.77 2.04 -0.78 -2.37 117.51 118.75 2xbq h ILE 102 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2xbq h ILE 102 Cb 0.18 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2xbq h ILE 102 CO -0.01 0.05 0.47 0.11 0.00 0.00 0.00 178.15 178.77 2xbq h LYS 103 N 0.28 1.13 -0.61 2.37 1.57 -0.90 0.43 116.57 120.85 2xbq h LYS 103 Ca 0.10 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2xbq h LYS 103 Cb 0.02 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2xbq h LYS 103 CO -0.06 0.82 0.15 -0.22 -0.57 0.00 0.00 179.45 179.57 2xbq h LYS 104 N 1.14 0.95 -0.00 3.15 3.64 -1.07 -3.28 116.57 121.09 2xbq h LYS 104 Ca 0.29 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2xbq h LYS 104 Cb -0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2xbq h LYS 104 CO -0.05 0.84 -0.79 1.19 -2.27 0.00 0.00 179.45 178.37 2xbq n PHE 105 N -4.26 0.00 1.13 1.91 3.72 -0.91 -5.11 117.46 113.93 2xbq n PHE 105 Ca 0.05 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.54 2xbq n PHE 105 Cb 0.24 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.31 2xbq n PHE 105 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22