#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 0.73 -1.94 8.00 3.41 -1.26 -0.95 113.62 121.60 1b2i n SER -3 Ca 0.00 -0.44 -0.18 0.00 -0.26 0.00 0.00 58.87 57.99 1b2i n SER -3 Cb 0.00 -1.14 -0.02 0.00 -0.26 0.00 0.00 64.21 62.78 1b2i n SER -3 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b2i n GLU -2 N 8.06 -1.42 0.00 4.33 4.71 -1.26 -4.10 120.64 130.96 1b2i n GLU -2 Ca 0.55 0.95 0.11 0.00 -0.01 0.00 0.00 57.16 58.76 1b2i n GLU -2 Cb 0.26 -5.41 -0.05 0.00 -1.01 0.00 0.00 31.44 25.23 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 -2.70 0.79 -4.72 3.49 1.02 -0.13 -2.43 120.64 115.96 1b2i n GLU -1 Ca -0.21 -0.61 -0.33 0.00 -0.02 0.00 0.00 57.16 55.98 1b2i n GLU -1 Cb 0.65 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.47 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b2i n MET 2 N 2.68 0.57 0.10 0.00 2.81 -1.00 -4.72 117.12 117.56 1b2i n MET 2 Ca -0.18 -2.09 -0.05 0.00 -1.81 0.00 0.00 57.70 53.57 1b2i n MET 2 Cb 0.53 1.32 0.05 0.00 -0.71 0.00 0.00 33.22 34.40 1b2i n MET 2 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1b2i h HIS 3 N 1.49 0.11 0.00 2.03 3.86 -1.96 -0.49 115.15 120.19 1b2i h HIS 3 Ca -0.18 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1b2i h HIS 3 Cb 0.74 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1b2i h HIS 3 CO 0.00 0.83 0.00 0.41 0.86 0.00 0.00 177.93 180.03 1b2i n GLY 4 N 0.69 1.75 0.12 2.45 0.00 -1.26 -4.89 105.19 104.05 1b2i n GLY 4 Ca -0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 1.56 -3.05 1.61 3.41 -1.26 -4.36 113.62 111.53 1b2i n SER 5 Ca 0.00 0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.76 1b2i n SER 5 Cb 0.00 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.87 -1.10 0.40 5.00 0.00 -1.26 -2.91 105.19 107.18 1b2i n GLY 6 Ca -0.29 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.34 -0.94 -0.36 1.61 4.57 -1.95 -3.23 114.58 113.95 1b2i h GLU 7 Ca -0.31 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1b2i h GLU 7 Cb 1.16 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1b2i h GLU 7 CO 0.35 -0.60 0.00 -1.71 -1.18 0.00 0.00 179.01 175.87 1b2i n ASN 8 N -5.44 2.73 -4.68 1.04 5.15 -1.26 -4.53 115.26 108.27 1b2i n ASN 8 Ca -0.13 -1.91 -0.48 0.00 -0.60 0.00 0.00 54.58 51.47 1b2i n ASN 8 Cb 0.40 -0.23 -0.05 0.00 -0.53 0.00 0.00 39.78 39.37 1b2i n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b2i n TYR 9 N 1.01 2.34 -0.62 1.20 9.36 -1.22 -4.86 117.16 124.37 1b2i n TYR 9 Ca 0.18 0.02 0.01 0.00 3.32 0.00 0.00 57.90 61.43 1b2i n TYR 9 Cb 0.48 -2.65 0.02 0.00 -0.63 0.00 0.00 39.34 36.55 1b2i n TYR 9 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1b2i n ASP 10 N 6.13 1.19 -3.51 2.98 5.68 -1.26 -4.71 116.55 123.06 1b2i n ASP 10 Ca 0.21 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1b2i n ASP 10 Cb 0.30 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 -0.39 -1.44 0.12 6.12 0.00 -1.02 -5.01 105.19 103.57 1b2i n GLY 11 Ca 0.02 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.80 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 2.58 -2.32 1.61 4.76 -1.26 -4.77 118.16 118.77 1b2i n LYS 12 Ca 0.00 -0.29 -0.41 0.00 -2.87 0.00 0.00 58.31 54.74 1b2i n LYS 12 Cb 0.00 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.91 3.53 -0.08 -0.18 1.09 -1.26 -4.74 121.20 117.66 1b2i s ILE 13 Ca 0.07 1.22 0.13 0.00 -1.10 0.00 0.00 60.65 60.97 1b2i s ILE 13 Cb 0.09 -3.78 0.25 0.00 -1.06 0.00 0.00 42.46 37.96 1b2i s ILE 13 CO 0.42 0.16 1.12 -0.24 -0.10 0.00 0.00 174.94 176.30 1b2i n SER 14 N 2.98 1.22 -4.53 3.58 2.88 -1.26 -0.48 113.62 118.01 1b2i n SER 14 Ca 0.06 -2.68 -0.37 0.00 -1.33 0.00 0.00 58.87 54.56 1b2i n SER 14 Cb 0.44 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.48 3.82 0.05 -1.46 2.36 -1.26 -0.41 119.74 121.36 1b2i s LYS 15 Ca 0.23 -0.40 -0.31 0.00 -2.55 0.00 0.00 55.97 52.95 1b2i s LYS 15 Cb 0.23 -3.41 -0.06 0.00 -1.05 0.00 0.00 37.83 33.54 1b2i s LYS 15 CO -0.04 -0.09 1.22 0.95 1.55 0.00 0.00 175.35 178.95 1b2i s THR 16 N 1.40 3.99 0.46 3.43 -4.23 -0.06 -1.38 115.64 119.26 1b2i s THR 16 Ca 0.06 1.41 0.26 0.00 -1.18 0.00 0.00 61.69 62.24 1b2i s THR 16 Cb -0.15 -3.91 0.45 0.00 1.34 0.00 0.00 72.50 70.24 1b2i s THR 16 CO 0.05 0.09 1.80 0.00 -0.54 0.00 0.00 174.62 176.02 1b2i h MET 17 N 6.92 0.21 -0.16 3.99 -0.00 -0.77 -0.11 114.93 125.01 1b2i h MET 17 Ca -0.41 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.25 1b2i h MET 17 Cb 1.21 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 32.74 1b2i h MET 17 CO 0.83 0.14 -0.06 -1.13 -0.00 0.00 0.00 176.91 176.69 1b2i n SER 18 N -4.44 2.92 0.00 -0.10 3.41 -1.26 -4.88 113.62 109.28 1b2i n SER 18 Ca 0.24 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1b2i n SER 18 Cb 1.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.00 -1.78 3.88 5.00 0.00 -0.05 -5.16 105.19 106.08 1b2i n GLY 19 Ca 0.21 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.60 1b2i n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b2i s LEU 20 N 0.00 2.43 -0.10 0.99 1.43 -1.26 -4.75 118.68 117.42 1b2i s LEU 20 Ca 0.00 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1b2i s LEU 20 Cb 0.00 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1b2i s LEU 20 CO 0.00 -2.86 -0.02 -0.70 0.23 0.00 0.00 176.35 173.01 1b2i s GLU 21 N -5.80 3.17 0.49 1.70 2.56 -1.26 -0.88 118.70 118.67 1b2i s GLU 21 Ca 0.73 -0.45 -0.21 0.00 0.00 0.00 0.00 54.97 55.03 1b2i s GLU 21 Cb -0.05 -2.81 -0.07 0.00 2.00 0.00 0.00 34.13 33.20 1b2i s GLU 21 CO 0.53 0.56 1.14 0.00 -0.56 0.00 0.00 175.26 176.93 1b2i s GLN 23 N -2.95 4.22 0.67 0.00 0.74 0.23 -4.81 119.66 117.77 1b2i s GLN 23 Ca 0.67 0.66 -0.17 0.00 0.05 0.00 0.00 55.36 56.57 1b2i s GLN 23 Cb -0.26 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.56 1b2i s GLN 23 CO 0.30 0.49 1.28 0.00 -0.55 0.00 0.00 175.29 176.81 1b2i s ALA 24 N -0.54 2.29 -2.00 1.58 0.00 -1.26 -4.39 121.76 117.43 1b2i s ALA 24 Ca 0.29 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1b2i s ALA 24 Cb -0.18 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.72 1b2i s ALA 24 CO 0.16 -1.72 0.77 0.91 0.00 0.00 0.00 175.76 175.88 1b2i n TRP 25 N -2.13 0.00 0.00 0.00 7.02 0.65 -4.71 117.44 118.27 1b2i n TRP 25 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 1b2i n TRP 25 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 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 -0.70 0.00 -3.62 -0.99 5.75 -1.26 -4.18 116.55 111.55 1b2i n ASP 26 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.56 1b2i n ASP 26 Cb 0.02 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.00 2.55 0.00 -1.12 0.15 -1.26 -4.71 113.70 108.31 1b2i s SER 27 Ca 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1b2i s SER 27 Cb 0.00 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1b2i s SER 27 CO 0.00 -0.35 0.00 0.00 1.20 0.00 0.00 173.24 174.09 1b2i n GLN 28 N 5.24 0.00 0.00 5.44 0.00 -1.26 -5.03 117.38 121.77 1b2i n GLN 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.93 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 0.43 0.00 0.00 0.00 177.06 177.49 1b2i n SER 29 N -1.18 0.00 0.14 2.61 7.64 -1.26 -4.74 113.62 116.83 1b2i n SER 29 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1b2i n SER 29 Cb 0.00 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.70 1b2i n SER 29 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1b2i h PRO 30 N 0.00 0.00 -1.74 1.43 0.11 -1.85 -3.48 132.00 126.47 1b2i h PRO 30 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 1b2i h PRO 30 Cb 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 30.90 1b2i h PRO 30 CO 0.00 0.00 0.50 -1.58 -0.21 0.00 0.00 178.00 176.71 1b2i s HIS 31 N -3.32 -0.39 -1.22 0.65 2.46 -1.26 -5.04 115.29 107.16 1b2i s HIS 31 Ca 0.05 0.60 -0.21 0.00 0.47 0.00 0.00 55.06 55.97 1b2i s HIS 31 Cb 0.09 0.46 -0.03 0.00 -0.13 0.00 0.00 32.58 32.98 1b2i s HIS 31 CO 0.42 -0.41 1.87 0.00 -2.47 0.00 0.00 174.74 174.15 1b2i n ALA 32 N 0.56 2.55 -1.10 1.58 0.00 -1.26 -4.67 120.51 118.17 1b2i n ALA 32 Ca -0.11 -3.34 -0.29 0.00 0.00 0.00 0.00 53.44 49.70 1b2i n ALA 32 Cb 0.58 -3.53 0.19 0.00 0.00 0.00 0.00 19.45 16.70 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 8.28 1.84 0.00 0.00 -3.43 -1.26 -5.08 115.29 115.65 1b2i s HIS 33 Ca 0.62 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 1b2i s HIS 33 Cb 0.02 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.89 1b2i s HIS 33 CO 0.11 -3.14 0.00 0.41 -2.00 0.00 0.00 174.74 170.12 1b2i n GLY 34 N -0.90 -1.16 2.65 -1.38 0.00 -1.26 -4.75 105.19 98.38 1b2i n GLY 34 Ca 0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 1b2i n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b2i n TYR 36 N -0.69 -1.81 -2.95 1.61 4.02 -1.26 -4.95 117.16 111.13 1b2i n TYR 36 Ca 0.00 0.65 -0.43 0.00 -0.01 0.00 0.00 57.90 58.12 1b2i n TYR 36 Cb 0.00 -3.50 -0.05 0.00 -0.02 0.00 0.00 39.34 35.77 1b2i n TYR 36 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1b2i s ILE 37 N -3.17 4.67 0.66 -0.72 1.01 -1.26 -4.82 121.20 117.57 1b2i s ILE 37 Ca 0.21 0.64 0.35 0.00 0.00 0.00 0.00 60.65 61.85 1b2i s ILE 37 Cb -0.03 -4.28 0.36 0.00 0.01 0.00 0.00 42.46 38.52 1b2i s ILE 37 CO 0.51 -0.60 2.08 -0.65 0.00 0.00 0.00 174.94 176.28 1b2i h PRO 38 N 8.77 0.00 0.00 2.79 0.11 -1.86 -0.48 132.00 141.33 1b2i h PRO 38 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1b2i h PRO 38 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1b2i h PRO 38 CO 0.94 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.50 1b2i h SER 39 N 0.00 0.00 -0.02 -2.05 0.02 -1.92 0.54 113.55 110.12 1b2i h SER 39 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1b2i h SER 39 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1b2i h SER 39 CO -0.00 0.00 -0.03 0.29 -1.14 0.00 0.00 176.83 175.95 1b2i n LYS 40 N -2.68 1.57 -3.82 3.45 5.02 -0.19 -4.78 118.16 116.73 1b2i n LYS 40 Ca -0.02 -1.54 -0.29 0.00 -2.02 0.00 0.00 58.31 54.45 1b2i n LYS 40 Cb 0.09 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.58 2.86 -0.42 2.13 0.40 0.18 -4.82 117.98 116.74 1b2i s PHE 41 Ca 0.21 -3.00 0.20 0.00 -0.60 0.00 0.00 56.93 53.75 1b2i s PHE 41 Cb 0.15 -2.37 0.98 0.00 0.51 0.00 0.00 43.02 42.29 1b2i s PHE 41 CO 0.25 -0.68 1.62 -0.35 0.70 0.00 0.00 175.22 176.76 1b2i n PRO 42 N 2.69 0.14 -0.88 0.24 -0.04 -1.26 -4.70 135.00 131.19 1b2i n PRO 42 Ca 0.15 0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 63.81 1b2i n PRO 42 Cb 0.36 -1.87 0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1b2i n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b2i n ASN 43 N -2.15 0.38 -0.24 3.54 2.85 -1.26 -4.91 115.26 113.47 1b2i n ASN 43 Ca 0.00 0.49 0.12 0.00 -0.11 0.00 0.00 54.58 55.08 1b2i n ASN 43 Cb 0.12 -1.46 0.59 0.00 1.24 0.00 0.00 39.78 40.27 1b2i n ASN 43 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1b2i n LYS 44 N -3.55 1.32 0.00 1.20 0.00 -1.26 -4.47 118.16 111.41 1b2i n LYS 44 Ca 0.12 -0.47 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 1b2i n LYS 44 Cb 0.51 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 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 -0.36 0.00 -4.58 -5.58 6.94 -1.26 -4.48 115.26 105.95 1b2i n ASN 45 Ca 0.18 0.12 -0.41 0.00 -0.02 0.00 0.00 54.58 54.45 1b2i n ASN 45 Cb 0.20 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 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 -0.34 3.42 0.00 -4.53 1.02 -1.26 -4.74 118.68 112.25 1b2i s LEU 46 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1b2i s LEU 46 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 46.19 43.13 1b2i s LEU 46 CO 0.00 -1.77 0.00 1.17 0.02 0.00 0.00 176.35 175.77 1b2i n LYS 47 N 8.65 0.00 0.00 1.70 3.00 -1.26 -4.74 118.16 125.51 1b2i n LYS 47 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1b2i n LYS 47 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.01 1.64 4.76 -1.26 -4.45 118.16 118.84 1b2i n LYS 48 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1b2i n LYS 48 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 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 1.97 -4.75 4.39 6.94 -1.26 -0.25 115.26 122.29 1b2i n ASN 49 Ca 0.00 -2.11 -0.41 0.00 -0.02 0.00 0.00 54.58 52.04 1b2i n ASN 49 Cb 0.00 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.20 2.96 0.54 -2.53 2.02 -1.26 -4.50 117.35 113.38 1b2i s TYR 50 Ca 0.04 1.12 -0.21 0.00 -0.37 0.00 0.00 57.07 57.66 1b2i s TYR 50 Cb 0.04 -3.82 -0.05 0.00 -0.40 0.00 0.00 41.96 37.72 1b2i s TYR 50 CO 0.00 -2.55 1.24 0.00 -1.57 0.00 0.00 175.55 172.67 1b2i n ARG 52 N -1.11 0.04 -3.13 0.00 3.00 -0.12 -4.78 116.66 110.55 1b2i n ARG 52 Ca 0.11 -0.32 -0.18 0.00 -0.01 0.00 0.00 57.85 57.45 1b2i n ARG 52 Cb 0.48 0.26 -0.02 0.00 0.00 0.00 0.00 32.46 33.18 1b2i n ARG 52 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1b2i n ASN 53 N -2.83 0.33 -0.25 0.55 2.85 -1.26 -0.29 115.26 114.35 1b2i n ASN 53 Ca 0.01 -3.05 0.04 0.00 -0.11 0.00 0.00 54.58 51.47 1b2i n ASN 53 Cb 0.06 -0.30 0.27 0.00 1.24 0.00 0.00 39.78 41.05 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 3.16 0.92 -0.01 1.20 0.11 -1.92 0.99 132.00 136.45 1b2i h PRO 54 Ca 0.07 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1b2i h PRO 54 Cb 0.97 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1b2i h PRO 54 CO 0.45 0.61 -0.41 -0.40 -0.21 0.00 0.00 178.00 178.04 1b2i n ASP 55 N -4.47 1.47 -3.47 -2.05 5.75 -1.26 -4.98 116.55 107.54 1b2i n ASP 55 Ca 0.12 -1.16 -0.19 0.00 -0.01 0.00 0.00 54.79 53.54 1b2i n ASP 55 Cb 0.17 0.35 0.03 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.44 -1.44 -0.93 0.11 1.85 0.34 -5.03 116.66 111.12 1b2i n ARG 56 Ca 0.10 0.86 -0.29 0.00 -1.00 0.00 0.00 57.85 57.53 1b2i n ARG 56 Cb 0.40 -4.49 0.20 0.00 -1.05 0.00 0.00 32.46 27.52 1b2i n ARG 56 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1b2i s GLU 57 N -4.74 0.02 0.06 2.89 2.56 -1.26 -4.98 118.70 113.25 1b2i s GLU 57 Ca 0.26 0.70 -0.26 0.00 0.00 0.00 0.00 54.97 55.67 1b2i s GLU 57 Cb -0.08 -1.67 -0.12 0.00 2.00 0.00 0.00 34.13 34.26 1b2i s GLU 57 CO 0.82 -3.06 1.40 1.25 -0.56 0.00 0.00 175.26 175.11 1b2i h LEU 58 N -2.14 -1.03 -9.83 2.70 6.46 -1.96 -3.42 115.31 106.10 1b2i h LEU 58 Ca -0.56 0.09 -0.63 0.00 -0.12 0.00 0.00 57.88 56.66 1b2i h LEU 58 Cb 1.32 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 41.55 1b2i h LEU 58 CO 0.54 -0.47 -0.45 -0.60 -0.62 0.00 0.00 178.44 176.84 1b2i s ARG 59 N -5.04 3.49 0.28 1.25 3.52 -1.26 -4.13 118.95 117.06 1b2i s ARG 59 Ca -0.13 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 1b2i s ARG 59 Cb 0.03 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.26 1b2i s ARG 59 CO 0.43 0.64 1.22 -1.25 -0.81 0.00 0.00 175.30 175.53 1b2i s PRO 61 N -2.04 4.48 0.39 5.12 0.04 -1.15 -4.77 135.00 137.07 1b2i s PRO 61 Ca 0.30 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1b2i s PRO 61 Cb -0.13 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1b2i s PRO 61 CO 0.20 -0.04 0.14 1.67 0.04 0.00 0.00 177.00 179.01 1b2i s TRP 62 N -0.84 1.78 0.25 0.56 1.48 0.60 -0.10 118.94 122.67 1b2i s TRP 62 Ca 0.49 -1.29 -0.22 0.00 -1.06 0.00 0.00 56.10 54.02 1b2i s TRP 62 Cb -0.36 -1.12 0.03 0.00 -1.16 0.00 0.00 33.47 30.87 1b2i s TRP 62 CO 0.44 -0.33 0.72 0.00 -4.06 0.00 0.00 176.95 173.73 1b2i s PHE 64 N -3.83 3.18 0.67 0.00 0.08 -1.26 -2.20 117.98 114.62 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 -0.05 -3.14 0.11 0.00 -0.57 0.00 0.00 43.02 39.37 1b2i s PHE 64 CO 0.03 -0.75 0.92 0.95 -0.10 0.00 0.00 175.22 176.27 1b2i s THR 65 N -1.71 2.20 -1.45 0.64 -4.23 0.23 -0.60 115.64 110.73 1b2i s THR 65 Ca 0.60 -0.70 0.25 0.00 -1.18 0.00 0.00 61.69 60.66 1b2i s THR 65 Cb -0.21 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.22 1b2i s THR 65 CO 0.27 0.00 1.40 0.35 -0.54 0.00 0.00 174.62 176.09 1b2i n THR 66 N -2.64 0.00 -2.79 3.99 -2.24 -1.14 -4.10 114.28 105.36 1b2i n THR 66 Ca 0.14 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1b2i n THR 66 Cb 0.61 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.72 7.31 0.00 3.42 2.15 -1.26 -4.71 116.67 120.85 1b2i s ASP 67 Ca 0.17 1.58 0.00 0.00 0.43 0.00 0.00 52.55 54.73 1b2i s ASP 67 Cb 0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1b2i s ASP 67 CO 0.62 -0.20 0.69 -2.65 -0.17 0.00 0.00 175.17 173.46 1b2i n PRO 68 N 3.69 0.00 0.00 4.34 -0.02 -1.26 -2.70 135.00 139.06 1b2i n PRO 68 Ca 0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1b2i n PRO 68 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.19 4.33 -4.45 2.55 5.03 -1.26 -4.92 115.26 115.34 1b2i n ASN 69 Ca 0.00 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.02 1b2i n ASN 69 Cb 0.05 0.35 -0.03 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 -1.91 3.30 0.00 3.52 2.47 -1.10 -4.92 119.74 121.11 1b2i s LYS 70 Ca 0.00 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 1b2i s LYS 70 Cb 0.00 -4.53 0.00 0.00 -1.46 0.00 0.00 37.83 31.84 1b2i s LYS 70 CO 0.00 -1.81 0.47 -2.13 0.16 0.00 0.00 175.35 172.04 1b2i n ARG 71 N 7.31 0.00 -3.67 4.03 0.63 -1.26 -3.77 116.66 119.94 1b2i n ARG 71 Ca 0.07 0.07 -0.20 0.00 -0.92 0.00 0.00 57.85 56.87 1b2i n ARG 71 Cb 0.47 -0.97 -0.01 0.00 0.45 0.00 0.00 32.46 32.39 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 -0.95 3.19 -0.23 -0.14 1.48 -1.26 -0.60 118.94 120.43 1b2i s TRP 72 Ca 0.00 -0.16 -0.26 0.00 -1.06 0.00 0.00 56.10 54.61 1b2i s TRP 72 Cb 0.00 -1.83 0.09 0.00 -1.16 0.00 0.00 33.47 30.57 1b2i s TRP 72 CO 0.00 0.16 0.84 -2.00 -4.06 0.00 0.00 176.95 171.89 1b2i s GLU 73 N -4.09 0.74 0.23 3.25 2.12 -0.93 -4.83 118.70 115.18 1b2i s GLU 73 Ca 0.41 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 1b2i s GLU 73 Cb -0.09 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.56 1b2i s GLU 73 CO 0.30 -0.13 1.29 -0.51 -0.54 0.00 0.00 175.26 175.67 1b2i s LEU 74 N -0.04 4.43 0.43 2.70 1.43 -1.26 -2.77 118.68 123.60 1b2i s LEU 74 Ca -0.01 2.45 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 1b2i s LEU 74 Cb -0.04 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1b2i s LEU 74 CO -0.00 -0.49 0.68 0.00 0.23 0.00 0.00 176.35 176.77 1b2i s ASP 76 N -4.10 5.56 -0.08 0.00 2.15 -0.48 -4.51 116.67 115.21 1b2i s ASP 76 Ca 0.45 -0.96 -0.00 0.00 0.43 0.00 0.00 52.55 52.47 1b2i s ASP 76 Cb -0.10 -1.97 -0.03 0.00 -0.30 0.00 0.00 42.92 40.52 1b2i s ASP 76 CO 0.40 -0.34 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.38 1b2i s ILE 77 N 1.52 3.81 0.03 4.11 1.09 -1.26 -4.78 121.20 125.72 1b2i s ILE 77 Ca 0.01 -0.43 -0.30 0.00 -1.10 0.00 0.00 60.65 58.83 1b2i s ILE 77 Cb -0.19 -2.58 -0.05 0.00 -1.06 0.00 0.00 42.46 38.58 1b2i s ILE 77 CO 0.05 0.58 1.17 -2.16 -0.10 0.00 0.00 174.94 174.49 1b2i s PRO 78 N -0.64 4.43 0.46 2.79 0.04 -1.26 -4.92 135.00 135.91 1b2i s PRO 78 Ca 0.10 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 1b2i s PRO 78 Cb -0.12 -3.41 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1b2i s PRO 78 CO 0.02 -0.27 1.15 0.50 0.04 0.00 0.00 177.00 178.44 1b2i s ARG 79 N 1.31 3.76 -0.90 4.56 3.52 -1.26 -2.36 118.95 127.57 1b2i s ARG 79 Ca 0.57 1.73 -0.25 0.00 -0.13 0.00 0.00 55.73 57.66 1b2i s ARG 79 Cb -0.27 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 1b2i s ARG 79 CO 0.27 -0.54 1.96 0.00 -0.81 0.00 0.00 175.30 176.18