#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 -4.08 1.09 2.88 -1.26 -5.03 113.62 107.22 1b2i n SER -3 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1b2i n SER -3 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1b2i n SER -3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b2i n GLU -2 N -0.24 -3.10 -0.06 -1.46 4.71 -1.26 -3.50 120.64 115.72 1b2i n GLU -2 Ca 0.00 0.37 -0.06 0.00 -0.01 0.00 0.00 57.16 57.46 1b2i n GLU -2 Cb 0.00 -4.67 -0.11 0.00 -1.01 0.00 0.00 31.44 25.65 1b2i n GLU -2 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1b2i n GLU -1 N -4.42 1.76 -4.49 3.49 2.13 -1.26 -1.23 120.64 116.63 1b2i n GLU -1 Ca -0.17 -0.01 -0.27 0.00 0.66 0.00 0.00 57.16 57.37 1b2i n GLU -1 Cb 0.61 -1.34 -0.13 0.00 0.27 0.00 0.00 31.44 30.85 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b2i s MET 2 N -1.71 1.51 -0.11 0.00 -1.94 -1.20 -4.74 119.30 111.11 1b2i s MET 2 Ca 0.10 -1.85 -0.25 0.00 -1.71 0.00 0.00 55.69 51.98 1b2i s MET 2 Cb -0.10 -0.13 -0.27 0.00 2.01 0.00 0.00 34.83 36.34 1b2i s MET 2 CO 0.04 -0.40 0.75 0.45 -0.01 0.00 0.00 175.02 175.86 1b2i h HIS 3 N 2.29 0.21 0.00 -0.03 3.86 -1.92 -0.55 115.15 119.01 1b2i h HIS 3 Ca -0.35 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1b2i h HIS 3 Cb 1.25 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1b2i h HIS 3 CO 0.81 1.18 0.00 0.41 0.86 0.00 0.00 177.93 181.18 1b2i n GLY 4 N 1.63 -1.84 0.00 2.45 0.00 -1.26 -4.89 105.19 101.27 1b2i n GLY 4 Ca -0.14 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1b2i n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b2i n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.05 -4.75 113.62 112.84 1b2i n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b2i n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1b2i n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 6 N 0.00 1.27 0.38 5.00 0.00 -1.26 -3.13 105.19 107.43 1b2i n GLY 6 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.75 1.26 -0.76 1.61 4.57 -1.93 -0.81 114.58 119.26 1b2i h GLU 7 Ca 0.00 -0.08 -0.48 0.00 -1.18 0.00 0.00 59.36 57.63 1b2i h GLU 7 Cb 0.00 -0.28 -0.27 0.00 -0.16 0.00 0.00 28.75 28.04 1b2i h GLU 7 CO 0.00 0.83 0.23 -1.71 -1.18 0.00 0.00 179.01 177.19 1b2i n ASN 8 N -4.43 4.80 -4.74 1.04 5.15 -1.26 -4.80 115.26 111.03 1b2i n ASN 8 Ca 0.13 -3.75 -0.38 0.00 -0.60 0.00 0.00 54.58 49.98 1b2i n ASN 8 Cb 0.08 -0.73 -0.06 0.00 -0.53 0.00 0.00 39.78 38.54 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1b2i s TYR 9 N -3.51 3.57 -0.07 1.20 5.04 -0.31 -4.79 117.35 118.48 1b2i s TYR 9 Ca 0.55 0.97 0.06 0.00 -2.44 0.00 0.00 57.07 56.20 1b2i s TYR 9 Cb 0.46 -2.54 0.13 0.00 0.35 0.00 0.00 41.96 40.35 1b2i s TYR 9 CO 0.03 0.25 1.12 -0.40 -1.34 0.00 0.00 175.55 175.20 1b2i n ASP 10 N 3.31 -0.82 -1.75 4.32 5.68 -0.53 -4.77 116.55 121.99 1b2i n ASP 10 Ca -0.08 -2.04 -0.05 0.00 -0.50 0.00 0.00 54.79 52.13 1b2i n ASP 10 Cb 0.52 0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.72 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b2i n GLY 11 N -0.25 2.54 4.77 6.12 0.00 -0.36 -4.83 105.19 113.18 1b2i n GLY 11 Ca -0.22 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.95 0.00 -2.05 1.61 4.76 -1.26 -4.85 118.16 118.32 1b2i n LYS 12 Ca 0.16 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 1b2i n LYS 12 Cb 0.62 -2.56 -0.02 0.00 -1.84 0.00 0.00 35.03 31.22 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1b2i s ILE 13 N -0.17 2.76 -0.05 -0.18 1.09 -1.26 -4.74 121.20 118.64 1b2i s ILE 13 Ca 0.00 0.64 0.23 0.00 -1.10 0.00 0.00 60.65 60.41 1b2i s ILE 13 Cb 0.00 -3.41 0.40 0.00 -1.06 0.00 0.00 42.46 38.39 1b2i s ILE 13 CO 0.00 0.10 1.15 -0.24 -0.10 0.00 0.00 174.94 175.85 1b2i n SER 14 N 2.33 0.83 -4.51 3.58 2.88 -1.26 -2.51 113.62 114.96 1b2i n SER 14 Ca 0.06 -2.01 -0.34 0.00 -1.33 0.00 0.00 58.87 55.25 1b2i n SER 14 Cb 0.41 -0.25 -0.12 0.00 -0.75 0.00 0.00 64.21 63.50 1b2i n SER 14 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1b2i s LYS 15 N -0.60 3.72 -0.04 -1.46 2.36 -1.26 -0.37 119.74 122.09 1b2i s LYS 15 Ca 0.29 -0.48 -0.30 0.00 -2.55 0.00 0.00 55.97 52.93 1b2i s LYS 15 Cb 0.34 -3.04 -0.04 0.00 -1.05 0.00 0.00 37.83 34.05 1b2i s LYS 15 CO -0.13 0.17 1.24 0.95 1.55 0.00 0.00 175.35 179.13 1b2i s THR 16 N 0.57 4.14 0.31 3.43 -4.23 0.87 -1.02 115.64 119.71 1b2i s THR 16 Ca -0.01 1.48 0.07 0.00 -1.18 0.00 0.00 61.69 62.06 1b2i s THR 16 Cb -0.14 -3.95 0.31 0.00 1.34 0.00 0.00 72.50 70.06 1b2i s THR 16 CO 0.02 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.80 1b2i h MET 17 N 7.49 0.40 -0.21 3.99 -0.00 -0.87 -0.79 114.93 124.94 1b2i h MET 17 Ca -0.35 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.29 1b2i h MET 17 Cb 1.17 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.65 1b2i h MET 17 CO 0.88 0.27 -0.03 -1.13 -0.00 0.00 0.00 176.91 176.89 1b2i n SER 18 N -5.02 3.16 0.00 -0.10 3.41 -1.26 -4.94 113.62 108.87 1b2i n SER 18 Ca 0.25 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1b2i n SER 18 Cb 0.75 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.88 1.21 0.00 5.00 0.00 -0.30 -5.18 105.19 105.04 1b2i n GLY 19 Ca 0.22 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.82 0.99 4.32 -1.25 -4.78 117.00 111.45 1b2i n LEU 20 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.63 1b2i n LEU 20 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1b2i n LEU 20 CO 0.00 -0.30 0.40 -0.70 -1.22 0.00 0.00 177.39 175.56 1b2i s GLU 21 N -1.55 4.19 0.62 3.23 2.56 -1.26 -0.09 118.70 126.40 1b2i s GLU 21 Ca 0.00 0.80 -0.13 0.00 0.00 0.00 0.00 54.97 55.64 1b2i s GLU 21 Cb 0.00 -2.83 -0.03 0.00 2.00 0.00 0.00 34.13 33.27 1b2i s GLU 21 CO 0.00 0.38 1.04 0.00 -0.56 0.00 0.00 175.26 176.11 1b2i s GLN 23 N -4.78 3.90 0.74 0.00 -0.44 0.34 -4.75 119.66 114.67 1b2i s GLN 23 Ca 0.58 0.21 -0.15 0.00 -2.50 0.00 0.00 55.36 53.50 1b2i s GLN 23 Cb -0.13 -3.27 0.05 0.00 -1.64 0.00 0.00 33.01 28.02 1b2i s GLN 23 CO 0.48 0.58 1.21 0.00 0.50 0.00 0.00 175.29 178.06 1b2i s ALA 24 N -0.62 2.07 -1.04 1.58 0.00 -1.26 -4.26 121.76 118.23 1b2i s ALA 24 Ca 0.20 0.89 0.25 0.00 0.00 0.00 0.00 51.96 53.29 1b2i s ALA 24 Cb -0.15 -3.48 1.07 0.00 0.00 0.00 0.00 23.12 20.57 1b2i s ALA 24 CO 0.09 -1.95 1.79 0.91 0.00 0.00 0.00 175.76 176.60 1b2i n TRP 25 N -2.81 0.00 0.00 0.00 7.02 0.65 -4.71 117.44 117.59 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 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 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 -1.48 0.00 -3.54 -0.99 5.75 -1.26 -4.14 116.55 110.88 1b2i n ASP 26 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.67 1b2i n ASP 26 Cb 0.28 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.24 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1b2i s SER 27 N -1.10 1.12 0.00 -1.12 0.15 -1.26 -4.86 113.70 106.63 1b2i s SER 27 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1b2i s SER 27 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1b2i s SER 27 CO 0.00 -0.30 0.00 0.00 1.20 0.00 0.00 173.24 174.14 1b2i n GLN 28 N 5.33 0.00 -3.70 5.44 0.00 -1.26 -5.12 117.38 118.07 1b2i n GLN 28 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 57.00 56.95 1b2i n GLN 28 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.73 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1b2i s SER 29 N -1.95 -0.07 0.41 2.61 0.01 -1.26 -4.79 113.70 108.67 1b2i s SER 29 Ca 0.00 -0.22 0.29 0.00 1.31 0.00 0.00 55.95 57.33 1b2i s SER 29 Cb 0.00 0.24 1.34 0.00 0.21 0.00 0.00 66.02 67.81 1b2i s SER 29 CO 0.00 -0.45 1.87 -0.65 0.41 0.00 0.00 173.24 174.43 1b2i h PRO 30 N 2.00 0.00 -2.30 12.44 0.11 -1.90 -3.47 132.00 138.88 1b2i h PRO 30 Ca -0.28 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.00 1b2i h PRO 30 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1b2i h PRO 30 CO 0.29 0.00 0.50 -1.58 -0.21 0.00 0.00 178.00 176.99 1b2i s HIS 31 N -3.58 -0.17 -1.23 0.65 2.46 -1.26 -5.07 115.29 107.09 1b2i s HIS 31 Ca 0.01 -0.10 -0.20 0.00 0.47 0.00 0.00 55.06 55.23 1b2i s HIS 31 Cb 0.09 0.62 -0.00 0.00 -0.13 0.00 0.00 32.58 33.16 1b2i s HIS 31 CO 0.40 -0.76 1.82 0.00 -2.47 0.00 0.00 174.74 173.73 1b2i s ALA 32 N -3.23 2.60 1.12 1.58 0.00 -1.26 -4.78 121.76 117.80 1b2i s ALA 32 Ca 0.11 -2.53 -0.16 0.00 0.00 0.00 0.00 51.96 49.38 1b2i s ALA 32 Cb -0.01 -4.65 0.25 0.00 0.00 0.00 0.00 23.12 18.70 1b2i s ALA 32 CO -0.00 -4.18 1.08 -3.38 0.00 0.00 0.00 175.76 169.28 1b2i s HIS 33 N 7.33 1.25 1.03 0.00 -3.43 -1.26 -5.06 115.29 115.15 1b2i s HIS 33 Ca 0.60 0.78 -0.17 0.00 -0.80 0.00 0.00 55.06 55.47 1b2i s HIS 33 Cb 0.02 -3.30 0.23 0.00 -1.43 0.00 0.00 32.58 28.10 1b2i s HIS 33 CO 0.09 -3.52 1.30 0.20 -2.00 0.00 0.00 174.74 170.81 1b2i s GLY 34 N -3.51 1.76 -0.77 -1.38 0.00 -1.26 -4.62 107.32 97.54 1b2i s GLY 34 Ca 0.68 -1.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1b2i s GLY 34 CO 0.58 -0.39 0.69 -1.72 0.00 0.00 0.00 173.10 172.25 1b2i n TYR 36 N -4.02 -2.20 -3.52 1.90 4.01 -1.26 -5.01 117.16 107.07 1b2i n TYR 36 Ca 0.16 0.80 -0.38 0.00 -0.16 0.00 0.00 57.90 58.31 1b2i n TYR 36 Cb 0.59 -3.77 -0.10 0.00 -0.31 0.00 0.00 39.34 35.75 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 -3.20 5.26 0.56 -0.72 1.01 -1.26 -4.83 121.20 118.03 1b2i s ILE 37 Ca 0.23 0.33 0.33 0.00 0.00 0.00 0.00 60.65 61.55 1b2i s ILE 37 Cb -0.03 -3.59 0.49 0.00 0.01 0.00 0.00 42.46 39.33 1b2i s ILE 37 CO 0.61 0.23 1.80 -0.65 0.00 0.00 0.00 174.94 176.93 1b2i h PRO 38 N 8.19 0.00 0.00 2.79 0.11 -1.91 -0.70 132.00 140.48 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 0.60 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 1b2i n SER 39 N -3.99 0.45 -0.79 -2.05 7.64 -1.26 -0.99 113.62 112.63 1b2i n SER 39 Ca 0.20 0.70 0.09 0.00 1.01 0.00 0.00 58.87 60.87 1b2i n SER 39 Cb 1.09 -0.76 0.13 0.00 -1.01 0.00 0.00 64.21 63.65 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b2i n LYS 40 N -2.10 1.90 -3.96 1.43 5.02 -0.27 -4.90 118.16 115.28 1b2i n LYS 40 Ca -0.01 -1.82 -0.30 0.00 -2.02 0.00 0.00 58.31 54.16 1b2i n LYS 40 Cb 0.05 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.54 1b2i n LYS 40 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1b2i s PHE 41 N -1.26 2.33 -1.22 2.13 0.08 -0.16 -4.92 117.98 114.95 1b2i s PHE 41 Ca 0.26 -1.61 0.21 0.00 0.12 0.00 0.00 56.93 55.91 1b2i s PHE 41 Cb 0.16 -1.58 0.98 0.00 -0.57 0.00 0.00 43.02 42.01 1b2i s PHE 41 CO 0.22 -0.74 1.67 -0.35 -0.10 0.00 0.00 175.22 175.92 1b2i n PRO 42 N 4.70 0.16 -1.65 0.24 -0.04 -1.26 -4.81 135.00 132.34 1b2i n PRO 42 Ca -0.13 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 1b2i n PRO 42 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.78 5.26 -0.41 3.54 2.47 -1.26 -4.95 114.94 116.81 1b2i s ASN 43 Ca 0.15 1.44 -0.00 0.00 0.42 0.00 0.00 52.86 54.87 1b2i s ASN 43 Cb 0.14 -2.29 0.34 0.00 -1.45 0.00 0.00 41.25 37.99 1b2i s ASN 43 CO 0.35 -1.50 1.92 2.29 -3.72 0.00 0.00 177.10 176.44 1b2i n LYS 44 N -3.15 2.06 0.00 0.43 0.00 -1.26 -4.63 118.16 111.61 1b2i n LYS 44 Ca 0.07 -2.17 0.00 0.00 -0.00 0.00 0.00 58.31 56.21 1b2i n LYS 44 Cb 0.55 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 1b2i n LYS 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1b2i n ASN 45 N -0.26 0.00 -4.77 -5.58 6.94 -1.26 -4.86 115.26 105.47 1b2i n ASN 45 Ca 0.42 0.37 -0.32 0.00 -0.02 0.00 0.00 54.58 55.03 1b2i n ASN 45 Cb 0.79 -0.21 0.07 0.00 -2.36 0.00 0.00 39.78 38.07 1b2i n ASN 45 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b2i s LEU 46 N -2.23 3.20 0.00 -4.53 2.01 -1.26 -4.93 118.68 110.94 1b2i s LEU 46 Ca 0.00 1.91 0.00 0.00 0.01 0.00 0.00 54.13 56.05 1b2i s LEU 46 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.66 1b2i s LEU 46 CO 0.00 -1.86 0.00 1.17 1.01 0.00 0.00 176.35 176.67 1b2i n LYS 47 N -3.01 0.00 0.00 1.70 4.81 -1.26 -4.99 118.16 115.41 1b2i n LYS 47 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1b2i n LYS 47 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1b2i n LYS 48 N 0.00 0.00 0.00 1.64 4.76 -1.26 -4.13 118.16 119.17 1b2i n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1b2i n LYS 48 Cb 0.00 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.08 -4.55 4.39 6.94 -1.26 -0.26 115.26 120.60 1b2i n ASN 49 Ca 0.00 -0.54 -0.50 0.00 -0.02 0.00 0.00 54.58 53.52 1b2i n ASN 49 Cb 0.00 0.91 -0.05 0.00 -2.36 0.00 0.00 39.78 38.28 1b2i n ASN 49 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1b2i n TYR 50 N -0.91 1.06 -1.74 -2.53 4.01 -1.26 -4.75 117.16 111.04 1b2i n TYR 50 Ca 0.00 0.75 -0.38 0.00 -0.16 0.00 0.00 57.90 58.11 1b2i n TYR 50 Cb 0.00 -2.23 0.05 0.00 -0.31 0.00 0.00 39.34 36.86 1b2i n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b2i n ARG 52 N -1.40 0.19 -2.77 0.00 5.12 0.36 -4.70 116.66 113.46 1b2i n ARG 52 Ca 0.13 -1.27 -0.14 0.00 -1.93 0.00 0.00 57.85 54.63 1b2i n ARG 52 Cb 0.46 1.08 0.01 0.00 -1.16 0.00 0.00 32.46 32.85 1b2i n ARG 52 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1b2i n ASN 53 N -2.35 1.90 -0.26 0.55 4.13 -1.26 -0.98 115.26 116.98 1b2i n ASN 53 Ca 0.02 -2.97 0.05 0.00 1.68 0.00 0.00 54.58 53.37 1b2i n ASN 53 Cb 0.24 -0.54 0.19 0.00 -1.54 0.00 0.00 39.78 38.12 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 2.94 0.47 -0.02 3.52 0.11 -1.96 0.14 132.00 137.19 1b2i h PRO 54 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1b2i h PRO 54 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1b2i h PRO 54 CO 0.56 0.31 -0.20 -0.40 -0.21 0.00 0.00 178.00 178.06 1b2i n ASP 55 N -4.97 2.06 -3.48 -2.05 5.75 -1.26 -4.98 116.55 107.60 1b2i n ASP 55 Ca 0.14 -1.55 -0.18 0.00 -0.01 0.00 0.00 54.79 53.20 1b2i n ASP 55 Cb 0.41 0.18 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 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 0.33 -1.38 -0.96 0.11 0.00 0.48 -5.02 116.66 110.22 1b2i n ARG 56 Ca 0.13 0.94 -0.29 0.00 -0.00 0.00 0.00 57.85 58.63 1b2i n ARG 56 Cb 0.47 -4.15 0.18 0.00 -0.00 0.00 0.00 32.46 28.95 1b2i n ARG 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1b2i s GLU 57 N -4.53 0.53 0.04 2.89 2.56 -1.26 -4.99 118.70 113.94 1b2i s GLU 57 Ca 0.15 0.88 -0.33 0.00 0.00 0.00 0.00 54.97 55.67 1b2i s GLU 57 Cb -0.05 -1.72 -0.18 0.00 2.00 0.00 0.00 34.13 34.18 1b2i s GLU 57 CO 0.83 -2.75 1.41 1.25 -0.56 0.00 0.00 175.26 175.44 1b2i h LEU 58 N -1.92 -1.01 -9.68 2.70 5.85 -1.88 -3.43 115.31 105.94 1b2i h LEU 58 Ca -0.53 0.03 -0.61 0.00 0.84 0.00 0.00 57.88 57.62 1b2i h LEU 58 Cb 1.30 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 1b2i h LEU 58 CO 0.52 -0.68 -0.22 -0.60 -0.34 0.00 0.00 178.44 177.12 1b2i s ARG 59 N -5.47 3.89 0.27 1.25 3.52 -1.26 -2.54 118.95 118.61 1b2i s ARG 59 Ca -0.17 0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.51 1b2i s ARG 59 Cb 0.02 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 30.09 1b2i s ARG 59 CO 0.52 0.69 1.45 -1.25 -0.81 0.00 0.00 175.30 175.90 1b2i s PRO 61 N -1.11 4.25 0.35 5.12 0.04 -1.19 -4.75 135.00 137.72 1b2i s PRO 61 Ca 0.24 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.66 1b2i s PRO 61 Cb -0.16 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1b2i s PRO 61 CO 0.13 -0.43 0.08 1.67 0.04 0.00 0.00 177.00 178.49 1b2i s TRP 62 N -0.22 1.90 0.23 0.56 1.48 -0.15 -0.31 118.94 122.43 1b2i s TRP 62 Ca 0.58 -1.05 -0.19 0.00 -1.06 0.00 0.00 56.10 54.37 1b2i s TRP 62 Cb -0.43 -1.25 0.03 0.00 -1.16 0.00 0.00 33.47 30.66 1b2i s TRP 62 CO 0.46 -0.08 0.62 0.00 -4.06 0.00 0.00 176.95 173.89 1b2i s PHE 64 N -3.89 2.93 0.57 0.00 0.08 -1.26 -1.85 117.98 114.55 1b2i s PHE 64 Ca 0.10 1.56 0.03 0.00 0.12 0.00 0.00 56.93 58.74 1b2i s PHE 64 Cb -0.03 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.37 1b2i s PHE 64 CO 0.02 -1.02 0.79 0.95 -0.10 0.00 0.00 175.22 175.85 1b2i s THR 65 N -2.02 2.56 -1.51 0.64 -4.23 0.21 -0.51 115.64 110.78 1b2i s THR 65 Ca 0.68 -0.74 0.27 0.00 -1.18 0.00 0.00 61.69 60.72 1b2i s THR 65 Cb -0.18 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.10 1b2i s THR 65 CO 0.24 0.00 1.65 0.35 -0.54 0.00 0.00 174.62 176.32 1b2i n THR 66 N -2.35 0.00 -2.69 3.99 -2.24 -1.10 -4.18 114.28 105.72 1b2i n THR 66 Ca 0.10 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1b2i n THR 66 Cb 0.60 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.63 7.49 0.00 3.42 -1.08 -1.26 -4.90 116.67 117.71 1b2i s ASP 67 Ca 0.22 1.91 0.19 0.00 -0.52 0.00 0.00 52.55 54.35 1b2i s ASP 67 Cb 0.19 -2.60 1.07 0.00 -1.46 0.00 0.00 42.92 40.12 1b2i s ASP 67 CO 0.54 -0.03 1.52 -0.81 0.52 0.00 0.00 175.17 176.92 1b2i n PRO 68 N 2.25 0.51 0.00 4.34 -0.04 -1.26 -3.19 135.00 137.61 1b2i n PRO 68 Ca 0.01 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1b2i n PRO 68 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1b2i n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b2i n ASN 69 N -1.06 4.44 -4.47 3.54 5.03 -1.26 -4.93 115.26 116.55 1b2i n ASN 69 Ca 0.13 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.15 1b2i n ASN 69 Cb 0.08 0.33 -0.04 0.00 -1.02 0.00 0.00 39.78 39.13 1b2i n ASN 69 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1b2i s LYS 70 N -1.94 3.14 0.00 3.52 2.47 -1.19 -4.93 119.74 120.80 1b2i s LYS 70 Ca 0.00 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 1b2i s LYS 70 Cb 0.00 -4.21 0.00 0.00 -1.46 0.00 0.00 37.83 32.16 1b2i s LYS 70 CO 0.00 -1.82 0.07 -2.13 0.16 0.00 0.00 175.35 171.63 1b2i n ARG 71 N 7.85 0.00 -3.37 4.03 0.63 -1.26 -3.69 116.66 120.84 1b2i n ARG 71 Ca -0.03 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.69 1b2i n ARG 71 Cb 0.46 -0.57 -0.00 0.00 0.45 0.00 0.00 32.46 32.80 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 -0.13 3.31 -0.22 -0.14 1.48 -1.26 -0.62 118.94 121.36 1b2i s TRP 72 Ca 0.00 0.12 -0.27 0.00 -1.06 0.00 0.00 56.10 54.89 1b2i s TRP 72 Cb 0.00 -2.00 0.11 0.00 -1.16 0.00 0.00 33.47 30.42 1b2i s TRP 72 CO 0.00 -0.01 0.94 -2.00 -4.06 0.00 0.00 176.95 171.82 1b2i s GLU 73 N -4.31 0.64 0.31 3.25 2.12 -0.77 -4.83 118.70 115.12 1b2i s GLU 73 Ca 0.43 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 1b2i s GLU 73 Cb -0.10 0.31 -0.10 0.00 0.26 0.00 0.00 34.13 34.50 1b2i s GLU 73 CO 0.34 -0.13 1.25 -0.51 -0.54 0.00 0.00 175.26 175.67 1b2i s LEU 74 N -0.26 4.46 0.42 2.70 1.43 -1.26 -2.11 118.68 124.06 1b2i s LEU 74 Ca -0.00 2.56 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 1b2i s LEU 74 Cb -0.03 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1b2i s LEU 74 CO -0.01 -0.42 0.67 0.00 0.23 0.00 0.00 176.35 176.82 1b2i s ASP 76 N -4.08 5.97 0.00 0.00 2.15 -0.19 -4.56 116.67 115.97 1b2i s ASP 76 Ca 0.44 -1.53 0.05 0.00 0.43 0.00 0.00 52.55 51.93 1b2i s ASP 76 Cb -0.10 -2.12 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1b2i s ASP 76 CO 0.41 -0.67 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.98 1b2i s ILE 77 N 1.55 3.17 -0.04 4.11 1.09 -1.26 -4.76 121.20 125.06 1b2i s ILE 77 Ca 0.04 -0.92 -0.30 0.00 -1.10 0.00 0.00 60.65 58.37 1b2i s ILE 77 Cb -0.25 -2.33 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 1b2i s ILE 77 CO 0.04 0.42 1.48 -2.16 -0.10 0.00 0.00 174.94 174.62 1b2i s PRO 78 N -1.25 4.23 0.45 2.79 0.04 -1.26 -4.95 135.00 135.05 1b2i s PRO 78 Ca 0.15 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1b2i s PRO 78 Cb -0.11 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.62 1b2i s PRO 78 CO 0.05 -0.70 1.14 0.50 0.04 0.00 0.00 177.00 178.03 1b2i s ARG 79 N 3.13 3.81 -0.91 4.56 3.52 -1.26 -3.22 118.95 128.58 1b2i s ARG 79 Ca 0.66 1.71 -0.24 0.00 -0.13 0.00 0.00 55.73 57.72 1b2i s ARG 79 Cb -0.31 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1b2i s ARG 79 CO 0.26 -0.49 1.90 0.00 -0.81 0.00 0.00 175.30 176.16