#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i n SER -3 N 0.00 0.00 -0.14 8.00 3.41 -1.26 -5.00 113.62 118.63 1b2i n SER -3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b2i n SER -3 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1b2i n SER -3 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1b2i n GLU -2 N -1.23 0.00 -1.71 4.33 0.00 -1.26 -4.99 120.64 115.79 1b2i n GLU -2 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 57.16 56.24 1b2i n GLU -2 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 31.44 31.04 1b2i n GLU -2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1b2i n GLU -1 N 0.00 2.82 -3.66 3.44 4.71 -1.26 -4.74 120.64 121.95 1b2i n GLU -1 Ca 0.00 -2.57 -0.10 0.00 -0.01 0.00 0.00 57.16 54.48 1b2i n GLU -1 Cb 0.54 -3.27 -0.08 0.00 -1.01 0.00 0.00 31.44 27.62 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b2i s MET 2 N 1.24 1.93 -0.04 0.00 -1.94 -0.68 -4.67 119.30 115.13 1b2i s MET 2 Ca -0.07 -2.17 -0.20 0.00 -1.71 0.00 0.00 55.69 51.54 1b2i s MET 2 Cb -0.06 -0.74 -0.32 0.00 2.01 0.00 0.00 34.83 35.73 1b2i s MET 2 CO -0.13 -0.43 0.86 0.45 -0.01 0.00 0.00 175.02 175.75 1b2i h HIS 3 N 1.78 0.61 0.00 -0.03 3.86 -1.96 -0.72 115.15 118.68 1b2i h HIS 3 Ca -0.37 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.40 1b2i h HIS 3 Cb 1.27 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1b2i h HIS 3 CO 1.40 1.40 0.00 0.41 0.86 0.00 0.00 177.93 182.00 1b2i n GLY 4 N 1.69 -1.80 0.10 2.45 0.00 -1.26 -4.89 105.19 101.48 1b2i n GLY 4 Ca -0.16 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 1b2i n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1b2i h SER 5 N 0.00 0.36 -4.60 1.61 0.02 -1.81 -3.37 113.55 105.76 1b2i h SER 5 Ca 0.00 -0.43 -0.24 0.00 -0.84 0.00 0.00 61.79 60.27 1b2i h SER 5 Cb 0.00 -0.12 0.12 0.00 0.14 0.00 0.00 62.40 62.54 1b2i h SER 5 CO 0.00 1.35 -0.54 0.61 -1.14 0.00 0.00 176.83 177.11 1b2i n GLY 6 N 1.57 -0.13 0.33 -3.77 0.00 -1.26 -3.69 105.19 98.25 1b2i n GLY 6 Ca -0.11 -0.05 0.21 0.00 0.00 0.00 0.00 46.02 46.06 1b2i n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b2i h GLU 7 N -1.45 0.00 -0.10 1.61 4.57 -1.97 0.80 114.58 118.04 1b2i h GLU 7 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1b2i h GLU 7 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1b2i h GLU 7 CO 0.37 0.00 0.00 -1.71 -1.18 0.00 0.00 179.01 176.49 1b2i n ASN 8 N -3.02 2.54 -4.77 1.04 2.85 -1.26 -5.00 115.26 107.65 1b2i n ASN 8 Ca -0.03 -1.74 -0.36 0.00 -0.11 0.00 0.00 54.58 52.34 1b2i n ASN 8 Cb 0.13 -0.05 0.01 0.00 1.24 0.00 0.00 39.78 41.10 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1b2i s TYR 9 N -1.33 2.67 -0.12 1.20 5.04 0.27 -4.98 117.35 120.11 1b2i s TYR 9 Ca 0.22 1.53 -0.06 0.00 -2.44 0.00 0.00 57.07 56.32 1b2i s TYR 9 Cb 0.15 -3.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.04 1b2i s TYR 9 CO 0.21 -1.73 0.06 0.38 -1.34 0.00 0.00 175.55 173.13 1b2i h ASP 10 N 1.41 0.00 0.00 4.32 2.03 -1.91 -3.49 116.42 118.79 1b2i h ASP 10 Ca -0.50 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.68 1b2i h ASP 10 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1b2i h ASP 10 CO 0.58 0.64 0.00 0.61 -1.03 0.00 0.00 179.24 180.03 1b2i n GLY 11 N 1.72 2.24 0.00 7.15 0.00 -1.26 -4.81 105.19 110.23 1b2i n GLY 11 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1b2i n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b2i n LYS 12 N 0.26 3.84 -2.71 1.61 5.02 -1.26 -4.73 118.16 120.19 1b2i n LYS 12 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1b2i n LYS 12 Cb 0.00 -0.63 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b2i s ILE 13 N -0.65 4.12 -0.16 -0.18 1.01 -1.26 -4.82 121.20 119.25 1b2i s ILE 13 Ca 0.00 1.45 0.23 0.00 0.00 0.00 0.00 60.65 62.33 1b2i s ILE 13 Cb 0.00 -3.66 0.46 0.00 0.01 0.00 0.00 42.46 39.27 1b2i s ILE 13 CO 0.00 -0.15 1.15 -0.24 0.00 0.00 0.00 174.94 175.69 1b2i n SER 14 N -0.37 1.18 -4.07 3.58 2.88 -1.26 -0.78 113.62 114.78 1b2i n SER 14 Ca 0.06 -2.02 -0.30 0.00 -1.33 0.00 0.00 58.87 55.28 1b2i n SER 14 Cb 0.52 -0.35 -0.16 0.00 -0.75 0.00 0.00 64.21 63.47 1b2i n SER 14 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b2i s LYS 15 N -2.18 2.49 -0.10 -1.46 -0.14 -1.26 -0.73 119.74 116.35 1b2i s LYS 15 Ca 0.28 -0.64 -0.25 0.00 -1.36 0.00 0.00 55.97 53.99 1b2i s LYS 15 Cb 0.34 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1b2i s LYS 15 CO -0.09 -0.14 0.81 0.95 -0.76 0.00 0.00 175.35 176.12 1b2i s THR 16 N 1.19 4.94 0.30 2.17 -4.23 -0.32 -1.20 115.64 118.50 1b2i s THR 16 Ca -0.01 1.64 0.14 0.00 -1.18 0.00 0.00 61.69 62.28 1b2i s THR 16 Cb -0.14 -4.13 0.31 0.00 1.34 0.00 0.00 72.50 69.88 1b2i s THR 16 CO -0.07 0.14 1.33 1.15 -0.54 0.00 0.00 174.62 176.64 1b2i n MET 17 N 4.42 -0.05 -0.03 3.99 0.00 0.10 -3.04 117.12 122.51 1b2i n MET 17 Ca 0.02 1.19 -0.07 0.00 0.00 0.00 0.00 57.70 58.85 1b2i n MET 17 Cb 0.50 -2.08 -0.02 0.00 0.00 0.00 0.00 33.22 31.62 1b2i n MET 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1b2i n SER 18 N -4.98 0.68 0.00 3.17 3.41 -1.26 -4.97 113.62 109.66 1b2i n SER 18 Ca 0.29 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1b2i n SER 18 Cb 0.99 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 19 N 2.63 -2.06 0.00 5.00 0.00 -1.17 -5.10 105.19 104.49 1b2i n GLY 19 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1b2i n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b2i n LEU 20 N 0.00 0.00 -4.77 0.99 4.77 -1.26 -4.94 117.00 111.80 1b2i n LEU 20 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1b2i n LEU 20 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1b2i n LEU 20 CO 0.00 0.00 0.69 -0.70 -1.33 0.00 0.00 177.39 176.05 1b2i s GLU 21 N 0.05 4.63 0.56 3.23 2.56 -1.26 -1.18 118.70 127.29 1b2i s GLU 21 Ca 0.00 1.49 -0.17 0.00 0.00 0.00 0.00 54.97 56.29 1b2i s GLU 21 Cb 0.00 -2.99 -0.05 0.00 2.00 0.00 0.00 34.13 33.09 1b2i s GLU 21 CO 0.00 0.29 1.06 0.00 -0.56 0.00 0.00 175.26 176.05 1b2i s GLN 23 N -3.73 3.60 0.66 0.00 -0.44 0.52 -4.81 119.66 115.47 1b2i s GLN 23 Ca 0.66 -0.16 -0.17 0.00 -2.50 0.00 0.00 55.36 53.20 1b2i s GLN 23 Cb -0.17 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 27.96 1b2i s GLN 23 CO 0.31 0.67 1.22 0.00 0.50 0.00 0.00 175.29 177.98 1b2i s ALA 24 N -0.71 2.34 -1.98 1.58 0.00 -1.26 -4.11 121.76 117.62 1b2i s ALA 24 Ca 0.13 0.97 0.16 0.00 0.00 0.00 0.00 51.96 53.22 1b2i s ALA 24 Cb -0.12 -3.47 0.92 0.00 0.00 0.00 0.00 23.12 20.45 1b2i s ALA 24 CO 0.03 -1.53 1.34 0.91 0.00 0.00 0.00 175.76 176.51 1b2i n TRP 25 N -2.14 0.00 -0.00 0.00 7.02 0.76 -4.66 117.44 118.41 1b2i n TRP 25 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1b2i n TRP 25 Cb 0.50 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1b2i n TRP 25 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1b2i n ASP 26 N -1.01 0.00 -3.85 -0.99 5.68 -1.26 -4.12 116.55 111.00 1b2i n ASP 26 Ca 0.12 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.17 1b2i n ASP 26 Cb 0.06 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.86 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1b2i s SER 27 N -1.00 1.69 0.00 -1.12 0.15 -1.26 -4.73 113.70 107.43 1b2i s SER 27 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1b2i s SER 27 Cb 0.00 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1b2i s SER 27 CO 0.00 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.31 1b2i n GLN 28 N 4.82 0.00 0.00 5.44 0.00 -1.26 -5.07 117.38 121.31 1b2i n GLN 28 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.87 1b2i n GLN 28 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1b2i n GLN 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1b2i n SER 29 N -1.57 0.00 0.29 2.61 2.88 -1.26 -4.78 113.62 111.78 1b2i n SER 29 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1b2i n SER 29 Cb 0.00 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.24 1b2i n SER 29 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1b2i h PRO 30 N 0.00 0.00 -1.59 -1.46 0.11 -1.83 -3.47 132.00 123.76 1b2i h PRO 30 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.33 1b2i h PRO 30 Cb 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.92 1b2i h PRO 30 CO 0.00 0.02 0.75 -1.58 -0.21 0.00 0.00 178.00 176.98 1b2i s HIS 31 N -3.79 -0.17 -0.54 0.65 5.65 -1.26 -5.02 115.29 110.81 1b2i s HIS 31 Ca -0.00 0.13 -0.27 0.00 0.25 0.00 0.00 55.06 55.17 1b2i s HIS 31 Cb 0.10 0.51 -0.03 0.00 -1.18 0.00 0.00 32.58 31.99 1b2i s HIS 31 CO 0.53 -0.26 1.94 0.00 -0.65 0.00 0.00 174.74 176.30 1b2i s ALA 32 N -2.39 2.22 0.75 1.58 0.00 -1.26 -4.72 121.76 117.93 1b2i s ALA 32 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1b2i s ALA 32 Cb -0.01 -4.26 0.13 0.00 0.00 0.00 0.00 23.12 18.98 1b2i s ALA 32 CO -0.05 -3.74 0.84 -2.39 0.00 0.00 0.00 175.76 170.42 1b2i n HIS 33 N 12.79 -3.30 -2.06 0.00 1.44 -1.26 -5.12 115.22 117.71 1b2i n HIS 33 Ca 0.24 -1.24 -0.29 0.00 -2.01 0.00 0.00 57.72 54.42 1b2i n HIS 33 Cb 0.51 -0.63 0.18 0.00 0.12 0.00 0.00 29.99 30.18 1b2i n HIS 33 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1b2i s GLY 34 N -4.69 1.79 -0.90 -1.39 0.00 -1.26 -4.60 107.32 96.27 1b2i s GLY 34 Ca 0.53 -1.36 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 1b2i s GLY 34 CO 0.36 -0.60 0.79 -1.72 0.00 0.00 0.00 173.10 171.93 1b2i n TYR 36 N -3.64 -2.20 -3.53 1.90 4.01 -1.26 -4.99 117.16 107.45 1b2i n TYR 36 Ca 0.16 0.77 -0.38 0.00 -0.16 0.00 0.00 57.90 58.29 1b2i n TYR 36 Cb 0.60 -3.92 -0.10 0.00 -0.31 0.00 0.00 39.34 35.61 1b2i n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1b2i s ILE 37 N -3.31 5.27 0.60 -0.72 1.01 -1.26 -4.84 121.20 117.95 1b2i s ILE 37 Ca 0.37 0.31 0.28 0.00 0.00 0.00 0.00 60.65 61.61 1b2i s ILE 37 Cb -0.05 -3.58 0.39 0.00 0.01 0.00 0.00 42.46 39.22 1b2i s ILE 37 CO 0.65 0.23 1.64 -0.65 0.00 0.00 0.00 174.94 176.81 1b2i h PRO 38 N 8.19 0.00 0.00 2.79 0.11 -1.91 -1.16 132.00 140.02 1b2i h PRO 38 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1b2i h PRO 38 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1b2i h PRO 38 CO 0.59 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.15 1b2i h SER 39 N 0.00 0.00 -0.03 -2.05 0.02 -1.94 0.14 113.55 109.69 1b2i h SER 39 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1b2i h SER 39 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1b2i h SER 39 CO -0.00 0.00 -0.03 0.29 -1.14 0.00 0.00 176.83 175.94 1b2i n LYS 40 N -2.42 1.88 -3.98 3.45 4.01 -0.44 -4.85 118.16 115.82 1b2i n LYS 40 Ca -0.01 -1.69 -0.31 0.00 -0.51 0.00 0.00 58.31 55.79 1b2i n LYS 40 Cb 0.10 -1.40 -0.15 0.00 -0.51 0.00 0.00 35.03 33.06 1b2i n LYS 40 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1b2i s PHE 41 N -1.79 2.94 -1.31 2.13 0.40 0.04 -4.92 117.98 115.46 1b2i s PHE 41 Ca 0.24 -2.25 0.17 0.00 -0.60 0.00 0.00 56.93 54.49 1b2i s PHE 41 Cb 0.17 -2.05 0.80 0.00 0.51 0.00 0.00 43.02 42.46 1b2i s PHE 41 CO 0.28 -0.86 1.50 -0.35 0.70 0.00 0.00 175.22 176.49 1b2i n PRO 42 N 4.51 0.17 -2.07 0.24 -0.04 -1.26 -4.77 135.00 131.78 1b2i n PRO 42 Ca -0.07 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1b2i n PRO 42 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1b2i n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1b2i s ASN 43 N -2.69 4.53 -0.19 3.54 2.47 -1.26 -5.00 114.94 116.34 1b2i s ASN 43 Ca 0.14 0.55 0.16 0.00 0.42 0.00 0.00 52.86 54.12 1b2i s ASN 43 Cb 0.11 -1.08 0.77 0.00 -1.45 0.00 0.00 41.25 39.61 1b2i s ASN 43 CO 0.27 -1.83 1.70 2.29 -3.72 0.00 0.00 177.10 175.80 1b2i n LYS 44 N -3.15 4.39 0.24 0.43 0.00 -1.26 -4.49 118.16 114.31 1b2i n LYS 44 Ca 0.09 -3.05 0.11 0.00 -0.00 0.00 0.00 58.31 55.46 1b2i n LYS 44 Cb 0.61 -2.11 0.59 0.00 -0.00 0.00 0.00 35.03 34.12 1b2i n LYS 44 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1b2i h ASN 45 N 3.96 0.00 -3.51 -5.58 -1.07 -1.93 -3.40 115.58 104.05 1b2i h ASN 45 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 55.71 1b2i h ASN 45 Cb 1.76 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.77 1b2i h ASN 45 CO 0.38 0.18 -0.74 -0.76 0.07 0.00 0.00 177.43 176.56 1b2i s LEU 46 N -7.07 2.86 0.00 6.14 2.01 -1.26 -4.86 118.68 116.50 1b2i s LEU 46 Ca -0.01 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 53.90 1b2i s LEU 46 Cb 0.12 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.68 1b2i s LEU 46 CO 0.61 0.23 0.00 1.17 1.01 0.00 0.00 176.35 179.37 1b2i n LYS 47 N 3.10 0.13 0.00 1.70 3.00 -1.26 -4.92 118.16 119.91 1b2i n LYS 47 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1b2i n LYS 47 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1b2i n LYS 48 N 0.00 0.00 -0.60 1.64 4.76 -1.26 -3.74 118.16 118.96 1b2i n LYS 48 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1b2i n LYS 48 Cb 0.00 0.00 0.29 0.00 -1.84 0.00 0.00 35.03 33.48 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1b2i n ASN 49 N 0.00 4.26 -4.75 4.39 6.94 -1.26 -0.17 115.26 124.67 1b2i n ASN 49 Ca 0.00 -3.06 -0.40 0.00 -0.02 0.00 0.00 54.58 51.10 1b2i n ASN 49 Cb 0.00 -0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 36.77 1b2i n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2i s TYR 50 N -2.86 3.80 0.34 -2.53 2.02 -1.26 -4.44 117.35 112.42 1b2i s TYR 50 Ca 0.46 1.56 -0.28 0.00 -0.37 0.00 0.00 57.07 58.44 1b2i s TYR 50 Cb 0.37 -2.83 -0.12 0.00 -0.40 0.00 0.00 41.96 38.97 1b2i s TYR 50 CO 0.10 0.34 1.27 0.00 -1.57 0.00 0.00 175.55 175.69 1b2i n ARG 52 N 0.56 0.00 -2.85 0.00 3.00 -0.13 -4.15 116.66 113.09 1b2i n ARG 52 Ca 0.05 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.85 57.69 1b2i n ARG 52 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 32.46 32.82 1b2i n ARG 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1b2i n ASN 53 N -2.61 2.43 -0.22 0.55 4.13 -1.26 -0.61 115.26 117.67 1b2i n ASN 53 Ca 0.00 -3.18 0.02 0.00 1.68 0.00 0.00 54.58 53.10 1b2i n ASN 53 Cb 0.00 -0.55 0.13 0.00 -1.54 0.00 0.00 39.78 37.82 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1b2i h PRO 54 N 2.92 0.39 -0.35 3.52 0.11 -1.94 -0.97 132.00 135.69 1b2i h PRO 54 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1b2i h PRO 54 Cb 0.94 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1b2i h PRO 54 CO 0.62 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1b2i n ASP 55 N -5.02 3.31 -3.14 -2.05 5.75 -1.26 -5.01 116.55 109.13 1b2i n ASP 55 Ca 0.10 -1.95 -0.27 0.00 -0.01 0.00 0.00 54.79 52.66 1b2i n ASP 55 Cb 0.32 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1b2i n ASP 55 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1b2i n ARG 56 N 1.36 -1.38 0.00 0.11 0.00 -0.37 -5.01 116.66 111.37 1b2i n ARG 56 Ca 0.18 0.91 0.00 0.00 -0.00 0.00 0.00 57.85 58.94 1b2i n ARG 56 Cb 0.57 -1.59 0.00 0.00 -0.00 0.00 0.00 32.46 31.44 1b2i n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1b2i n GLU 57 N -0.84 2.34 0.00 2.89 0.00 -1.26 -5.05 120.64 118.72 1b2i n GLU 57 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.02 1b2i n GLU 57 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.97 1b2i n GLU 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1b2i h LEU 58 N 0.00 -0.01 -8.50 -1.84 6.46 -1.95 -3.45 115.31 106.01 1b2i h LEU 58 Ca 0.00 0.00 -0.69 0.00 -0.12 0.00 0.00 57.88 57.07 1b2i h LEU 58 Cb 0.00 0.00 -0.31 0.00 -0.73 0.00 0.00 40.66 39.62 1b2i h LEU 58 CO 0.00 0.00 -0.89 -0.60 -0.62 0.00 0.00 178.44 176.34 1b2i s ARG 59 N -1.70 2.49 0.43 1.25 3.52 -1.26 -2.53 118.95 121.15 1b2i s ARG 59 Ca -0.00 -0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 54.44 1b2i s ARG 59 Cb 0.00 -2.14 -0.09 0.00 -1.56 0.00 0.00 34.95 31.15 1b2i s ARG 59 CO 0.01 0.41 1.26 -0.35 -0.81 0.00 0.00 175.30 175.81 1b2i n PRO 61 N 2.87 1.87 -4.58 5.12 -0.04 -1.24 -4.41 135.00 134.59 1b2i n PRO 61 Ca -0.17 0.67 -0.27 0.00 -0.04 0.00 0.00 63.50 63.68 1b2i n PRO 61 Cb 0.52 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 1b2i n PRO 61 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1b2i s TRP 62 N -1.21 1.93 0.22 0.54 1.48 0.22 0.04 118.94 122.16 1b2i s TRP 62 Ca 0.62 -1.05 -0.20 0.00 -1.06 0.00 0.00 56.10 54.41 1b2i s TRP 62 Cb -0.50 -1.39 0.03 0.00 -1.16 0.00 0.00 33.47 30.45 1b2i s TRP 62 CO 0.57 0.00 0.61 0.00 -4.06 0.00 0.00 176.95 174.08 1b2i s PHE 64 N -3.87 2.95 0.46 0.00 0.08 -1.26 -1.91 117.98 114.44 1b2i s PHE 64 Ca 0.09 1.47 0.07 0.00 0.12 0.00 0.00 56.93 58.67 1b2i s PHE 64 Cb -0.03 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 1b2i s PHE 64 CO -0.01 -1.38 0.32 0.95 -0.10 0.00 0.00 175.22 175.00 1b2i s THR 65 N -2.95 2.17 -0.97 0.64 -4.23 0.26 -0.36 115.64 110.21 1b2i s THR 65 Ca 0.59 -1.51 0.28 0.00 -1.18 0.00 0.00 61.69 59.88 1b2i s THR 65 Cb -0.15 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1b2i s THR 65 CO 0.54 0.00 1.84 0.35 -0.54 0.00 0.00 174.62 176.81 1b2i n THR 66 N -1.53 0.06 -3.23 3.99 -2.24 -1.22 -4.41 114.28 105.70 1b2i n THR 66 Ca 0.00 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 1b2i n THR 66 Cb 0.64 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1b2i n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b2i s ASP 67 N -3.17 6.74 0.00 3.42 2.15 -1.26 -4.50 116.67 120.05 1b2i s ASP 67 Ca 0.13 0.88 0.00 0.00 0.43 0.00 0.00 52.55 53.99 1b2i s ASP 67 Cb 0.18 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1b2i s ASP 67 CO 0.56 -0.07 0.92 -2.65 -0.17 0.00 0.00 175.17 173.77 1b2i n PRO 68 N 3.93 0.00 -0.13 4.34 -0.02 -1.26 -2.70 135.00 139.16 1b2i n PRO 68 Ca -0.05 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 1b2i n PRO 68 Cb 0.51 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 1b2i n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1b2i n ASN 69 N -1.42 1.94 -4.19 2.55 3.02 -1.26 -4.60 115.26 111.31 1b2i n ASN 69 Ca 0.00 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 1b2i n ASN 69 Cb 0.01 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1b2i n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1b2i n LYS 70 N -3.76 3.44 0.00 3.52 3.00 -1.10 -4.83 118.16 118.44 1b2i n LYS 70 Ca -0.47 -3.62 0.00 0.00 -0.00 0.00 0.00 58.31 54.22 1b2i n LYS 70 Cb 0.90 -3.04 0.00 0.00 0.00 0.00 0.00 35.03 32.89 1b2i n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1b2i n ARG 71 N 5.10 0.00 -4.16 1.64 0.63 -1.25 -3.75 116.66 114.88 1b2i n ARG 71 Ca 0.40 0.72 -0.23 0.00 -0.92 0.00 0.00 57.85 57.82 1b2i n ARG 71 Cb 0.40 -1.42 -0.05 0.00 0.45 0.00 0.00 32.46 31.83 1b2i n ARG 71 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1b2i s TRP 72 N -2.69 3.00 -0.15 -0.14 1.48 -1.26 -0.57 118.94 118.61 1b2i s TRP 72 Ca 0.00 -0.13 -0.28 0.00 -1.06 0.00 0.00 56.10 54.63 1b2i s TRP 72 Cb 0.00 -1.37 0.07 0.00 -1.16 0.00 0.00 33.47 31.02 1b2i s TRP 72 CO 0.00 0.54 0.71 -2.00 -4.06 0.00 0.00 176.95 172.15 1b2i s GLU 73 N -3.65 0.95 0.32 3.25 2.56 -0.80 -4.86 118.70 116.46 1b2i s GLU 73 Ca 0.32 0.56 -0.29 0.00 0.00 0.00 0.00 54.97 55.56 1b2i s GLU 73 Cb -0.08 0.45 -0.10 0.00 2.00 0.00 0.00 34.13 36.40 1b2i s GLU 73 CO 0.23 -0.23 1.21 -0.51 -0.56 0.00 0.00 175.26 175.40 1b2i s LEU 74 N -0.53 4.46 0.44 2.70 1.43 -1.26 -2.65 118.68 123.27 1b2i s LEU 74 Ca -0.06 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1b2i s LEU 74 Cb -0.02 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1b2i s LEU 74 CO 0.06 -0.38 0.84 0.00 0.23 0.00 0.00 176.35 177.09 1b2i s ASP 76 N -3.14 6.27 -0.09 0.00 -1.08 -0.34 -4.56 116.67 113.74 1b2i s ASP 76 Ca 0.54 -1.82 -0.10 0.00 -0.52 0.00 0.00 52.55 50.65 1b2i s ASP 76 Cb -0.10 -2.24 -0.05 0.00 -1.46 0.00 0.00 42.92 39.07 1b2i s ASP 76 CO 0.31 -0.89 0.22 -0.63 0.52 0.00 0.00 175.17 174.70 1b2i s ILE 77 N 1.72 5.36 -0.02 4.11 1.09 -1.26 -4.89 121.20 127.30 1b2i s ILE 77 Ca 0.08 0.41 -0.30 0.00 -1.10 0.00 0.00 60.65 59.73 1b2i s ILE 77 Cb -0.25 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 1b2i s ILE 77 CO 0.02 0.59 1.19 -2.16 -0.10 0.00 0.00 174.94 174.48 1b2i s PRO 78 N -0.95 4.38 0.50 2.79 0.04 -1.26 -4.95 135.00 135.56 1b2i s PRO 78 Ca 0.17 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1b2i s PRO 78 Cb -0.13 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.83 1b2i s PRO 78 CO 0.07 -0.37 1.04 0.50 0.04 0.00 0.00 177.00 178.27 1b2i s ARG 79 N 1.85 3.72 -1.22 4.56 3.52 -1.26 -1.69 118.95 128.43 1b2i s ARG 79 Ca 0.56 1.34 -0.21 0.00 -0.13 0.00 0.00 55.73 57.29 1b2i s ARG 79 Cb -0.26 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1b2i s ARG 79 CO 0.24 -0.49 1.88 0.00 -0.81 0.00 0.00 175.30 176.12