#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i s SER -3 N 0.00 -0.91 -1.45 3.42 0.01 -1.26 -4.95 113.70 108.56 1b2i s SER -3 Ca 0.00 1.36 -0.08 0.00 1.31 0.00 0.00 55.95 58.54 1b2i s SER -3 Cb 0.00 1.70 0.04 0.00 0.21 0.00 0.00 66.02 67.98 1b2i s SER -3 CO 0.00 -0.20 0.68 -0.62 0.41 0.00 0.00 173.24 173.51 1b2i n GLU -2 N 4.69 -4.78 -0.00 12.44 4.71 -1.26 -4.27 120.64 132.16 1b2i n GLU -2 Ca -0.16 0.71 0.12 0.00 -0.01 0.00 0.00 57.16 57.82 1b2i n GLU -2 Cb 0.55 -5.54 0.14 0.00 -1.01 0.00 0.00 31.44 25.58 1b2i n GLU -2 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1b2i n GLU -1 N -4.12 2.27 -4.36 3.49 1.02 -1.26 -4.22 120.64 113.45 1b2i n GLU -1 Ca -0.04 -1.84 -0.29 0.00 -0.02 0.00 0.00 57.16 54.97 1b2i n GLU -1 Cb 0.57 -1.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b2i s MET 2 N 1.10 1.60 0.21 0.00 -1.94 -1.25 -4.72 119.30 114.29 1b2i s MET 2 Ca -0.04 -1.87 -0.04 0.00 -1.71 0.00 0.00 55.69 52.03 1b2i s MET 2 Cb -0.14 -0.86 0.16 0.00 2.01 0.00 0.00 34.83 36.00 1b2i s MET 2 CO -0.03 -0.16 1.57 0.45 -0.01 0.00 0.00 175.02 176.84 1b2i h HIS 3 N 2.18 0.78 0.00 -0.03 3.86 -1.95 -3.37 115.15 116.62 1b2i h HIS 3 Ca -0.40 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1b2i h HIS 3 Cb 1.24 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1b2i h HIS 3 CO 0.58 0.94 0.00 0.41 0.86 0.00 0.00 177.93 180.73 1b2i n GLY 4 N -0.01 0.47 0.13 2.45 0.00 -1.26 -4.99 105.19 101.98 1b2i n GLY 4 Ca -0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 1.96 -2.72 1.61 3.41 -1.22 -3.91 113.62 112.76 1b2i n SER 5 Ca 0.00 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1b2i n SER 5 Cb 0.00 -0.77 0.06 0.00 -0.26 0.00 0.00 64.21 63.24 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 1.61 -0.34 0.27 5.00 0.00 -1.26 -3.25 105.19 107.22 1b2i n GLY 6 Ca -0.45 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.04 0.64 -0.66 1.61 4.57 -1.97 -2.29 114.58 115.44 1b2i h GLU 7 Ca -0.42 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1b2i h GLU 7 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1b2i h GLU 7 CO 0.33 0.73 0.00 -1.71 -1.18 0.00 0.00 179.01 177.18 1b2i n ASN 8 N -4.19 3.81 -4.59 1.04 5.15 -1.26 -4.82 115.26 110.40 1b2i n ASN 8 Ca 0.01 -2.12 -0.42 0.00 -0.60 0.00 0.00 54.58 51.45 1b2i n ASN 8 Cb 0.34 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.09 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 -1.32 2.60 -0.45 1.20 5.04 -0.86 -4.86 117.35 118.70 1b2i s TYR 9 Ca 0.45 0.54 0.09 0.00 -2.44 0.00 0.00 57.07 55.72 1b2i s TYR 9 Cb 0.25 -4.46 0.33 0.00 0.35 0.00 0.00 41.96 38.44 1b2i s TYR 9 CO 0.28 -1.59 0.77 -0.25 -1.34 0.00 0.00 175.55 173.42 1b2i n ASP 10 N 8.47 1.97 0.00 4.32 8.00 -1.26 -4.69 116.55 133.35 1b2i n ASP 10 Ca 0.11 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.41 1b2i n ASP 10 Cb 0.49 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b2i n GLY 11 N 0.26 0.35 0.00 0.44 0.00 -1.26 -4.99 105.19 99.99 1b2i n GLY 11 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.49 -2.82 1.61 4.76 -1.26 -4.95 118.16 115.99 1b2i n LYS 12 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1b2i n LYS 12 Cb 0.00 -0.04 -0.05 0.00 -1.84 0.00 0.00 35.03 33.10 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 0.00 4.39 0.00 -0.18 1.09 -1.26 -4.85 121.20 120.39 1b2i s ILE 13 Ca 0.00 1.95 0.05 0.00 -1.10 0.00 0.00 60.65 61.55 1b2i s ILE 13 Cb 0.00 -4.26 0.08 0.00 -1.06 0.00 0.00 42.46 37.22 1b2i s ILE 13 CO 0.00 0.41 1.00 -0.24 -0.10 0.00 0.00 174.94 176.01 1b2i n SER 14 N 2.22 0.18 -4.55 3.58 2.88 -1.26 -1.54 113.62 115.13 1b2i n SER 14 Ca -0.01 -1.94 -0.36 0.00 -1.33 0.00 0.00 58.87 55.24 1b2i n SER 14 Cb 0.49 -0.20 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.00 3.84 0.03 -1.46 2.36 -1.26 -0.33 119.74 122.91 1b2i s LYS 15 Ca 0.07 -0.40 -0.30 0.00 -2.55 0.00 0.00 55.97 52.78 1b2i s LYS 15 Cb 0.07 -3.29 -0.06 0.00 -1.05 0.00 0.00 37.83 33.51 1b2i s LYS 15 CO -0.03 0.05 1.29 0.95 1.55 0.00 0.00 175.35 179.15 1b2i s THR 16 N 1.00 3.85 0.21 3.43 -4.23 0.56 -2.65 115.64 117.81 1b2i s THR 16 Ca 0.04 1.29 0.12 0.00 -1.18 0.00 0.00 61.69 61.96 1b2i s THR 16 Cb -0.14 -3.82 0.20 0.00 1.34 0.00 0.00 72.50 70.08 1b2i s THR 16 CO 0.03 0.06 0.90 1.15 -0.54 0.00 0.00 174.62 176.22 1b2i n MET 17 N 4.53 -0.03 0.03 3.99 0.00 0.10 -2.81 117.12 122.94 1b2i n MET 17 Ca 0.11 0.79 -0.00 0.00 0.00 0.00 0.00 57.70 58.59 1b2i n MET 17 Cb 0.45 -1.42 -0.00 0.00 0.00 0.00 0.00 33.22 32.25 1b2i n MET 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1b2i n SER 18 N -4.29 0.90 0.00 3.17 7.64 -1.26 -4.84 113.62 114.93 1b2i n SER 18 Ca 0.22 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1b2i n SER 18 Cb 0.74 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b2i n GLY 19 N 3.32 -2.34 1.37 0.23 0.00 -1.12 -5.06 105.19 101.58 1b2i n GLY 19 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.78 0.99 4.32 -1.26 -4.81 117.00 111.46 1b2i n LEU 20 Ca 0.00 -1.16 -0.37 0.00 -0.02 0.00 0.00 56.01 54.46 1b2i n LEU 20 Cb 0.00 0.10 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 1b2i n LEU 20 CO 0.00 -0.22 0.65 -0.70 -1.22 0.00 0.00 177.39 175.90 1b2i s GLU 21 N -2.72 4.55 0.52 3.23 2.56 -1.26 -0.32 118.70 125.26 1b2i s GLU 21 Ca 0.03 1.31 -0.16 0.00 0.00 0.00 0.00 54.97 56.14 1b2i s GLU 21 Cb -0.00 -2.75 -0.08 0.00 2.00 0.00 0.00 34.13 33.30 1b2i s GLU 21 CO 0.02 0.26 0.98 0.00 -0.56 0.00 0.00 175.26 175.96 1b2i s GLN 23 N -4.15 4.14 0.53 0.00 -0.44 0.48 -4.78 119.66 115.44 1b2i s GLN 23 Ca 0.58 0.41 -0.22 0.00 -2.50 0.00 0.00 55.36 53.64 1b2i s GLN 23 Cb -0.10 -3.33 -0.06 0.00 -1.64 0.00 0.00 33.01 27.88 1b2i s GLN 23 CO 0.33 0.43 1.21 0.00 0.50 0.00 0.00 175.29 177.76 1b2i n ALA 24 N 2.75 1.04 0.33 1.58 0.00 -1.26 -4.29 120.51 120.67 1b2i n ALA 24 Ca -0.11 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1b2i n ALA 24 Cb 0.52 -2.25 0.50 0.00 0.00 0.00 0.00 19.45 18.21 1b2i n ALA 24 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1b2i n TRP 25 N -1.05 0.73 -0.19 0.00 7.02 0.64 -4.79 117.44 119.80 1b2i n TRP 25 Ca 0.11 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.90 1b2i n TRP 25 Cb 0.44 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.33 1b2i n TRP 25 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1b2i n ASP 26 N -2.19 0.00 -4.44 -0.99 -0.08 -1.26 -4.06 116.55 103.53 1b2i n ASP 26 Ca 0.01 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.89 1b2i n ASP 26 Cb 0.17 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.52 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1b2i s SER 27 N -1.00 5.73 0.00 1.67 0.15 -1.26 -4.68 113.70 114.30 1b2i s SER 27 Ca 0.00 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1b2i s SER 27 Cb 0.00 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1b2i s SER 27 CO 0.00 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.17 1b2i n GLN 28 N 5.02 0.00 0.00 5.44 -0.00 -1.26 -5.04 117.38 121.54 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 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.72 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1b2i n SER 29 N -0.82 0.00 0.05 2.61 3.41 -1.26 -4.71 113.62 112.90 1b2i n SER 29 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1b2i n SER 29 Cb 0.00 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.46 1b2i n SER 29 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1b2i n PRO 30 N -0.24 0.11 -3.50 4.33 -0.02 -1.26 -4.91 135.00 129.51 1b2i n PRO 30 Ca 0.00 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1b2i n PRO 30 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1b2i n PRO 30 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1b2i s HIS 31 N -3.06 -0.40 -1.43 6.00 2.46 -1.26 -5.05 115.29 112.56 1b2i s HIS 31 Ca 0.12 0.34 -0.14 0.00 0.47 0.00 0.00 55.06 55.84 1b2i s HIS 31 Cb 0.15 0.52 0.03 0.00 -0.13 0.00 0.00 32.58 33.15 1b2i s HIS 31 CO 0.52 -0.56 2.22 0.00 -2.47 0.00 0.00 174.74 174.45 1b2i n ALA 32 N -0.06 5.45 -1.18 1.58 0.00 -1.26 -4.50 120.51 120.54 1b2i n ALA 32 Ca -0.11 -3.85 -0.29 0.00 0.00 0.00 0.00 53.44 49.19 1b2i n ALA 32 Cb 0.61 -3.54 0.21 0.00 0.00 0.00 0.00 19.45 16.73 1b2i n ALA 32 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1b2i s HIS 33 N 3.29 1.27 1.06 0.00 -3.43 -1.26 -5.06 115.29 111.17 1b2i s HIS 33 Ca 0.48 0.69 -0.17 0.00 -0.80 0.00 0.00 55.06 55.25 1b2i s HIS 33 Cb 0.14 -3.41 0.23 0.00 -1.43 0.00 0.00 32.58 28.12 1b2i s HIS 33 CO -0.08 -3.38 1.22 0.20 -2.00 0.00 0.00 174.74 170.71 1b2i s GLY 34 N -3.78 1.69 -0.66 -1.38 0.00 -1.26 -4.62 107.32 97.31 1b2i s GLY 34 Ca 0.68 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1b2i s GLY 34 CO 0.56 -0.26 0.60 -1.72 0.00 0.00 0.00 173.10 172.28 1b2i n TYR 36 N -4.20 -1.98 -3.67 1.90 4.01 -1.26 -5.01 117.16 106.96 1b2i n TYR 36 Ca 0.14 0.72 -0.38 0.00 -0.16 0.00 0.00 57.90 58.22 1b2i n TYR 36 Cb 0.59 -3.56 -0.12 0.00 -0.31 0.00 0.00 39.34 35.95 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 -3.15 4.54 0.56 -0.72 1.01 -1.26 -4.67 121.20 117.51 1b2i s ILE 37 Ca 0.18 -0.40 0.27 0.00 0.00 0.00 0.00 60.65 60.70 1b2i s ILE 37 Cb -0.02 -3.29 0.37 0.00 0.01 0.00 0.00 42.46 39.53 1b2i s ILE 37 CO 0.54 0.10 2.03 1.55 0.00 0.00 0.00 174.94 179.17 1b2i h PRO 38 N 8.33 0.00 0.00 2.79 0.13 -1.90 -0.46 132.00 140.88 1b2i h PRO 38 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1b2i h PRO 38 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b2i h PRO 38 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1b2i n SER 39 N -4.05 0.00 -0.45 1.44 3.41 -1.26 -1.21 113.62 111.51 1b2i n SER 39 Ca 0.05 0.17 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1b2i n SER 39 Cb 0.46 -0.29 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2i n LYS 40 N -1.29 2.09 -4.03 4.33 4.01 -0.18 -4.95 118.16 118.14 1b2i n LYS 40 Ca 0.04 -1.65 -0.31 0.00 -0.51 0.00 0.00 58.31 55.88 1b2i n LYS 40 Cb 0.07 -1.19 -0.16 0.00 -0.51 0.00 0.00 35.03 33.23 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 -0.91 2.34 -1.25 2.13 0.08 -0.35 -4.93 117.98 115.10 1b2i s PHE 41 Ca 0.15 -1.39 0.20 0.00 0.12 0.00 0.00 56.93 56.02 1b2i s PHE 41 Cb 0.09 -1.67 0.96 0.00 -0.57 0.00 0.00 43.02 41.83 1b2i s PHE 41 CO 0.12 -0.71 1.65 -0.35 -0.10 0.00 0.00 175.22 175.82 1b2i n PRO 42 N 4.72 0.17 -1.55 0.24 -0.04 -1.26 -4.81 135.00 132.47 1b2i n PRO 42 Ca -0.17 0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 1b2i n PRO 42 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.75 5.22 -0.20 3.54 3.84 -1.26 -4.96 114.94 118.37 1b2i s ASN 43 Ca 0.15 1.59 0.11 0.00 0.21 0.00 0.00 52.86 54.92 1b2i s ASN 43 Cb 0.14 -2.44 0.68 0.00 -0.55 0.00 0.00 41.25 39.08 1b2i s ASN 43 CO 0.34 -1.54 1.55 2.29 -2.79 0.00 0.00 177.10 176.94 1b2i n LYS 44 N -3.19 4.20 0.00 0.43 0.00 -1.26 -4.71 118.16 113.63 1b2i n LYS 44 Ca 0.08 -2.63 0.00 0.00 -0.00 0.00 0.00 58.31 55.76 1b2i n LYS 44 Cb 0.54 -2.14 0.00 0.00 -0.00 0.00 0.00 35.03 33.43 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 0.48 0.00 -4.67 -5.58 6.94 -1.26 -4.80 115.26 106.36 1b2i n ASN 45 Ca 0.24 0.34 -0.30 0.00 -0.02 0.00 0.00 54.58 54.83 1b2i n ASN 45 Cb 1.06 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.64 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 -0.69 2.40 0.00 -4.53 2.01 -1.26 -4.94 118.68 111.66 1b2i s LEU 46 Ca 0.00 1.82 0.00 0.00 0.01 0.00 0.00 54.13 55.96 1b2i s LEU 46 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 46.19 42.00 1b2i s LEU 46 CO 0.00 -2.95 0.00 1.17 1.01 0.00 0.00 176.35 175.58 1b2i n LYS 47 N -4.11 0.00 0.00 1.70 3.00 -1.26 -4.92 118.16 112.57 1b2i n LYS 47 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 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 0.00 1.64 4.76 -1.26 -4.24 118.16 119.06 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 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 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 1.36 -4.55 4.39 6.94 -1.26 -0.26 115.26 121.88 1b2i n ASN 49 Ca 0.00 -0.31 -0.53 0.00 -0.02 0.00 0.00 54.58 53.72 1b2i n ASN 49 Cb 0.00 0.89 -0.06 0.00 -2.36 0.00 0.00 39.78 38.25 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 -1.03 1.10 -1.74 -2.53 4.01 -1.26 -4.78 117.16 110.93 1b2i n TYR 50 Ca 0.00 0.79 -0.39 0.00 -0.16 0.00 0.00 57.90 58.14 1b2i n TYR 50 Cb 0.00 -2.23 0.03 0.00 -0.31 0.00 0.00 39.34 36.83 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 -0.55 0.07 -3.07 0.00 5.12 -0.18 -4.76 116.66 113.29 1b2i n ARG 52 Ca 0.08 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1b2i n ARG 52 Cb 0.43 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.71 1b2i n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b2i n ASN 53 N -2.50 -0.35 0.10 0.55 2.85 -1.26 -0.54 115.26 114.10 1b2i n ASN 53 Ca 0.00 -3.00 0.16 0.00 -0.11 0.00 0.00 54.58 51.62 1b2i n ASN 53 Cb 0.00 0.02 0.67 0.00 1.24 0.00 0.00 39.78 41.72 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1b2i h PRO 54 N 3.56 0.00 -0.20 1.20 0.11 -1.98 0.83 132.00 135.52 1b2i h PRO 54 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1b2i h PRO 54 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1b2i h PRO 54 CO 0.42 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 1b2i n ASP 55 N -4.43 2.46 -3.89 -2.05 5.75 -1.26 -5.01 116.55 108.12 1b2i n ASP 55 Ca 0.05 -1.76 -0.34 0.00 -0.01 0.00 0.00 54.79 52.73 1b2i n ASP 55 Cb 0.41 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.53 -0.96 -0.90 0.11 0.00 0.28 -4.99 116.66 110.74 1b2i n ARG 56 Ca 0.09 0.47 -0.29 0.00 -0.00 0.00 0.00 57.85 58.12 1b2i n ARG 56 Cb 0.35 -2.60 0.18 0.00 -0.00 0.00 0.00 32.46 30.40 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 -6.01 0.42 0.12 2.89 2.56 -1.26 -4.96 118.70 112.46 1b2i s GLU 57 Ca 0.24 0.93 -0.30 0.00 0.00 0.00 0.00 54.97 55.84 1b2i s GLU 57 Cb -0.13 -1.70 -0.08 0.00 2.00 0.00 0.00 34.13 34.22 1b2i s GLU 57 CO 0.92 -2.84 1.59 1.25 -0.56 0.00 0.00 175.26 175.62 1b2i h LEU 58 N -1.99 -1.17 -9.51 2.70 5.85 -1.94 -3.42 115.31 105.83 1b2i h LEU 58 Ca -0.53 0.14 -0.66 0.00 0.84 0.00 0.00 57.88 57.68 1b2i h LEU 58 Cb 1.30 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 42.68 1b2i h LEU 58 CO 0.51 -0.45 -0.59 -0.60 -0.34 0.00 0.00 178.44 176.97 1b2i s ARG 59 N -5.93 2.99 0.29 1.25 3.52 -1.26 -3.37 118.95 116.44 1b2i s ARG 59 Ca -0.16 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1b2i s ARG 59 Cb 0.08 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.56 1b2i s ARG 59 CO 0.64 0.64 1.27 -1.25 -0.81 0.00 0.00 175.30 175.79 1b2i s PRO 61 N -1.67 4.42 0.42 5.12 0.04 -1.20 -4.79 135.00 137.34 1b2i s PRO 61 Ca 0.22 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1b2i s PRO 61 Cb -0.12 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1b2i s PRO 61 CO 0.13 -0.12 0.10 1.67 0.04 0.00 0.00 177.00 178.81 1b2i s TRP 62 N -0.88 1.83 0.24 0.56 1.48 0.29 -0.30 118.94 122.16 1b2i s TRP 62 Ca 0.50 -1.18 -0.21 0.00 -1.06 0.00 0.00 56.10 54.14 1b2i s TRP 62 Cb -0.38 -1.27 0.03 0.00 -1.16 0.00 0.00 33.47 30.70 1b2i s TRP 62 CO 0.47 -0.16 0.66 0.00 -4.06 0.00 0.00 176.95 173.87 1b2i s PHE 64 N -3.88 3.20 0.48 0.00 0.08 -1.26 -1.81 117.98 114.79 1b2i s PHE 64 Ca 0.09 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.78 1b2i s PHE 64 Cb -0.04 -3.04 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 1b2i s PHE 64 CO 0.01 -0.55 0.69 0.95 -0.10 0.00 0.00 175.22 176.22 1b2i s THR 65 N -1.87 3.41 -1.13 0.64 -4.23 -0.03 -0.39 115.64 112.05 1b2i s THR 65 Ca 0.61 -0.64 0.29 0.00 -1.18 0.00 0.00 61.69 60.77 1b2i s THR 65 Cb -0.17 -3.25 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1b2i s THR 65 CO 0.22 -0.16 1.90 0.35 -0.54 0.00 0.00 174.62 176.38 1b2i n THR 66 N -2.13 0.00 -2.67 3.99 -2.24 -1.14 -4.32 114.28 105.77 1b2i n THR 66 Ca 0.04 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1b2i n THR 66 Cb 0.59 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.88 7.15 0.00 3.42 2.15 -1.26 -4.81 116.67 120.44 1b2i s ASP 67 Ca 0.18 1.44 0.10 0.00 0.43 0.00 0.00 52.55 54.69 1b2i s ASP 67 Cb 0.19 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.86 1b2i s ASP 67 CO 0.53 -0.59 1.02 -0.81 -0.17 0.00 0.00 175.17 175.15 1b2i n PRO 68 N 5.86 0.37 0.00 4.34 -0.04 -1.26 -1.45 135.00 142.82 1b2i n PRO 68 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1b2i n PRO 68 Cb 0.47 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.92 1.09 -3.87 3.54 5.03 -1.26 -4.87 115.26 114.00 1b2i n ASN 69 Ca 0.08 -1.05 -0.30 0.00 0.87 0.00 0.00 54.58 54.18 1b2i n ASN 69 Cb 0.03 0.42 -0.15 0.00 -1.02 0.00 0.00 39.78 39.06 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 -1.07 1.18 0.00 3.52 2.47 -0.53 -5.06 119.74 120.25 1b2i s LYS 70 Ca 0.06 -1.20 0.00 0.00 -1.56 0.00 0.00 55.97 53.28 1b2i s LYS 70 Cb 0.06 -2.48 0.00 0.00 -1.46 0.00 0.00 37.83 33.95 1b2i s LYS 70 CO 0.18 -0.83 0.17 -2.13 0.16 0.00 0.00 175.35 172.89 1b2i n ARG 71 N 4.66 0.00 -3.32 4.03 0.63 -1.26 -3.71 116.66 117.69 1b2i n ARG 71 Ca -0.04 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 1b2i n ARG 71 Cb 0.43 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.70 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 -0.34 3.15 -0.25 -0.14 1.48 -1.26 -0.85 118.94 120.74 1b2i s TRP 72 Ca 0.00 -0.07 -0.26 0.00 -1.06 0.00 0.00 56.10 54.71 1b2i s TRP 72 Cb 0.00 -2.09 0.12 0.00 -1.16 0.00 0.00 33.47 30.34 1b2i s TRP 72 CO 0.00 -0.12 1.03 -2.00 -4.06 0.00 0.00 176.95 171.81 1b2i s GLU 73 N -4.29 0.52 0.36 3.25 2.12 -0.75 -4.83 118.70 115.08 1b2i s GLU 73 Ca 0.46 0.48 -0.27 0.00 0.36 0.00 0.00 54.97 56.00 1b2i s GLU 73 Cb -0.10 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.45 1b2i s GLU 73 CO 0.33 -0.09 1.20 -0.51 -0.54 0.00 0.00 175.26 175.66 1b2i s LEU 74 N -0.09 4.32 0.28 2.70 1.43 -1.26 -2.10 118.68 123.94 1b2i s LEU 74 Ca 0.02 2.45 -0.04 0.00 -1.03 0.00 0.00 54.13 55.53 1b2i s LEU 74 Cb -0.04 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1b2i s LEU 74 CO -0.05 -0.57 0.52 0.00 0.23 0.00 0.00 176.35 176.49 1b2i s ASP 76 N -3.19 5.68 -0.10 0.00 2.15 -1.08 -4.59 116.67 115.53 1b2i s ASP 76 Ca 0.43 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 53.07 1b2i s ASP 76 Cb -0.11 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1b2i s ASP 76 CO 0.30 -0.15 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.39 1b2i s ILE 77 N 1.66 3.12 -0.47 4.11 -1.09 -1.26 -4.85 121.20 122.43 1b2i s ILE 77 Ca 0.06 -0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 1b2i s ILE 77 Cb -0.17 -2.28 0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1b2i s ILE 77 CO 0.08 0.55 1.34 -2.16 -1.23 0.00 0.00 174.94 173.52 1b2i s PRO 78 N -0.05 3.54 0.26 2.79 0.04 -1.26 -4.87 135.00 135.46 1b2i s PRO 78 Ca -0.03 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1b2i s PRO 78 Cb -0.14 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.29 1b2i s PRO 78 CO 0.04 -1.61 1.13 -0.98 0.04 0.00 0.00 177.00 175.62 1b2i s ARG 79 N 4.96 4.59 0.19 4.56 1.70 -1.26 -3.97 118.95 129.72 1b2i s ARG 79 Ca 0.56 1.84 -0.30 0.00 -0.47 0.00 0.00 55.73 57.36 1b2i s ARG 79 Cb -0.11 -3.19 -0.08 0.00 -0.57 0.00 0.00 34.95 31.00 1b2i s ARG 79 CO 0.31 0.12 1.04 0.00 -1.08 0.00 0.00 175.30 175.69