#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb3 n ASP 2 N 0.00 1.24 -0.04 1.08 5.68 -1.26 -2.81 116.55 120.44 3hb3 n ASP 2 Ca 0.00 0.01 -0.15 0.00 -0.50 0.00 0.00 54.79 54.15 3hb3 n ASP 2 Cb 0.00 0.03 -0.13 0.00 -1.14 0.00 0.00 41.12 39.87 3hb3 n ASP 2 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3hb3 h VAL 3 N 0.01 1.70 0.00 2.12 3.04 -2.02 -3.05 116.25 118.06 3hb3 h VAL 3 Ca -0.52 -2.31 0.00 0.00 -1.01 0.00 0.00 66.70 62.86 3hb3 h VAL 3 Cb 2.04 3.25 0.00 0.00 -2.01 0.00 0.00 31.29 34.58 3hb3 h VAL 3 CO -0.01 0.61 0.00 0.18 -1.01 0.00 0.00 177.57 177.34 3hb3 n LEU 4 N -4.51 0.00 -4.75 3.16 4.32 -1.26 -4.90 117.00 109.06 3hb3 n LEU 4 Ca -0.11 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.48 3hb3 n LEU 4 Cb 0.55 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.31 3hb3 n LEU 4 CO 0.38 0.00 0.84 -0.83 -1.22 0.00 0.00 177.39 176.56 3hb3 s GLY 5 N -1.75 2.93 -1.26 -0.72 0.00 -1.12 -3.74 107.32 101.65 3hb3 s GLY 5 Ca 0.05 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3hb3 s GLY 5 CO 0.04 1.66 0.00 1.22 0.00 0.00 0.00 173.10 176.02 3hb3 n ASP 6 N 1.59 -4.43 -4.68 1.64 8.00 -1.26 -4.93 116.55 112.48 3hb3 n ASP 6 Ca 0.01 0.29 -0.46 0.00 0.71 0.00 0.00 54.79 55.34 3hb3 n ASP 6 Cb 0.44 -2.99 -0.04 0.00 -0.02 0.00 0.00 41.12 38.51 3hb3 n ASP 6 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hb3 n LEU 7 N -1.36 3.32 -4.63 0.64 4.77 -1.25 -4.97 117.00 113.52 3hb3 n LEU 7 Ca -0.12 1.04 -0.47 0.00 -0.03 0.00 0.00 56.01 56.44 3hb3 n LEU 7 Cb 0.39 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3hb3 n LEU 7 CO 0.18 -0.16 0.88 -0.81 -1.33 0.00 0.00 177.39 176.15 3hb3 n PRO 8 N 4.49 1.61 -2.83 3.23 -0.04 -1.26 -4.64 135.00 135.55 3hb3 n PRO 8 Ca 0.18 0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 3hb3 n PRO 8 Cb 0.30 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 3hb3 n PRO 8 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hb3 s VAL 9 N -0.05 4.89 0.05 0.52 -7.23 -1.26 -0.02 120.40 117.31 3hb3 s VAL 9 Ca 0.72 1.79 0.00 0.00 -1.81 0.00 0.00 61.98 62.68 3hb3 s VAL 9 Cb -0.76 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 31.98 3hb3 s VAL 9 CO 0.50 0.11 0.00 -0.38 -0.31 0.00 0.00 175.10 175.02 3hb3 n ILE 10 N 4.26 0.40 -1.38 -0.62 5.41 0.17 -4.84 119.36 122.76 3hb3 n ILE 10 Ca 0.05 0.13 -0.40 0.00 1.00 0.00 0.00 62.75 63.53 3hb3 n ILE 10 Cb 0.50 -1.36 -0.02 0.00 -0.71 0.00 0.00 39.64 38.05 3hb3 n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hb3 n GLY 11 N 2.90 3.64 2.93 7.39 0.00 -0.60 -4.47 105.19 116.99 3hb3 n GLY 11 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3hb3 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hb3 s LYS 12 N 3.72 0.10 0.76 1.61 2.20 -1.26 -1.36 119.74 125.51 3hb3 s LYS 12 Ca 0.52 -0.05 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 3hb3 s LYS 12 Cb 0.14 0.04 0.06 0.00 -1.51 0.00 0.00 37.83 36.56 3hb3 s LYS 12 CO -0.01 -0.02 1.18 -1.25 -0.36 0.00 0.00 175.35 174.89 3hb3 s PRO 13 N -0.24 1.99 0.16 4.03 0.04 -1.26 -4.87 135.00 134.85 3hb3 s PRO 13 Ca -0.03 1.65 0.11 0.00 0.04 0.00 0.00 61.00 62.77 3hb3 s PRO 13 Cb -0.02 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 3hb3 s PRO 13 CO -0.00 -1.93 -0.23 0.14 0.04 0.00 0.00 177.00 175.02 3hb3 s VAL 14 N -2.20 2.47 0.16 -0.36 -7.23 -1.26 -5.10 120.40 106.87 3hb3 s VAL 14 Ca 0.71 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 3hb3 s VAL 14 Cb -0.26 -2.15 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 3hb3 s VAL 14 CO 0.48 -0.01 1.48 0.20 -0.31 0.00 0.00 175.10 176.94 3hb3 s ASN 15 N -2.40 6.68 -1.17 4.85 0.01 -1.26 -2.02 114.94 119.64 3hb3 s ASN 15 Ca 0.18 2.52 0.00 0.00 -0.71 0.00 0.00 52.86 54.86 3hb3 s ASN 15 Cb -0.09 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3hb3 s ASN 15 CO 0.09 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.55 3hb3 n GLY 16 N 3.41 1.22 3.79 0.66 0.00 -1.26 -4.98 105.19 108.03 3hb3 n GLY 16 Ca 0.12 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3hb3 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hb3 s GLY 17 N -2.82 2.47 -0.02 -0.02 0.00 -0.85 -4.98 107.32 101.09 3hb3 s GLY 17 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 44.72 45.41 3hb3 s GLY 17 CO 0.00 0.95 0.13 1.03 0.00 0.00 0.00 173.10 175.20 3hb3 n MET 18 N -1.24 0.90 -0.87 2.90 2.81 -1.26 -5.01 117.12 115.35 3hb3 n MET 18 Ca 0.10 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3hb3 n MET 18 Cb 0.52 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 3hb3 n MET 18 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3hb3 n ASN 19 N -1.88 0.00 -4.64 7.83 3.02 -1.26 -5.12 115.26 113.21 3hb3 n ASN 19 Ca -0.04 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.33 3hb3 n ASN 19 Cb 0.33 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.66 3hb3 n ASN 19 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hb3 s PHE 20 N 1.07 2.13 0.61 3.10 0.08 -1.26 -5.05 117.98 118.66 3hb3 s PHE 20 Ca 0.00 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.79 3hb3 s PHE 20 Cb 0.00 -3.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 3hb3 s PHE 20 CO 0.00 -2.78 1.03 -0.65 -0.10 0.00 0.00 175.22 172.72 3hb3 s GLN 21 N -5.15 3.54 0.30 0.44 -0.21 -1.26 -4.95 119.66 112.38 3hb3 s GLN 21 Ca 0.65 0.85 -0.28 0.00 0.02 0.00 0.00 55.36 56.60 3hb3 s GLN 21 Cb -0.16 -2.07 -0.13 0.00 1.00 0.00 0.00 33.01 31.64 3hb3 s GLN 21 CO 0.56 -0.61 1.17 -2.30 -2.12 0.00 0.00 175.29 171.98 3hb3 n PRO 22 N -2.55 1.73 -2.56 2.91 -0.02 -1.26 -4.80 135.00 128.45 3hb3 n PRO 22 Ca 0.07 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 3hb3 n PRO 22 Cb 0.54 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3hb3 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hb3 s ALA 23 N -0.97 3.37 0.00 3.55 0.00 -1.26 -4.62 121.76 121.83 3hb3 s ALA 23 Ca 0.58 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3hb3 s ALA 23 Cb -0.65 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.17 3hb3 s ALA 23 CO 0.60 -0.08 0.23 0.43 0.00 0.00 0.00 175.76 176.93 3hb3 n SER 24 N 1.68 0.00 -4.01 0.00 7.64 -0.46 -4.92 113.62 113.55 3hb3 n SER 24 Ca -0.00 -1.00 -0.08 0.00 1.01 0.00 0.00 58.87 58.80 3hb3 n SER 24 Cb 0.46 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 3hb3 n SER 24 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hb3 s SER 25 N 0.00 0.31 0.32 6.43 1.04 -1.24 -0.65 113.70 119.91 3hb3 s SER 25 Ca 0.00 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.84 3hb3 s SER 25 Cb 0.00 0.16 0.81 0.00 0.10 0.00 0.00 66.02 67.09 3hb3 s SER 25 CO 0.00 -0.44 1.78 1.55 0.98 0.00 0.00 173.24 177.11 3hb3 h PRO 26 N 3.96 0.67 -0.72 4.02 0.13 -1.93 0.16 132.00 138.30 3hb3 h PRO 26 Ca -0.33 -0.04 0.12 0.00 -0.87 0.00 0.00 66.00 64.88 3hb3 h PRO 26 Cb 1.18 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 3hb3 h PRO 26 CO 0.51 0.44 0.48 -0.07 -0.23 0.00 0.00 178.00 179.13 3hb3 h LEU 27 N 0.69 0.46 0.00 1.56 3.38 -1.91 -1.81 115.31 117.68 3hb3 h LEU 27 Ca 0.58 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.47 3hb3 h LEU 27 Cb 1.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3hb3 h LEU 27 CO -0.37 0.26 -0.78 0.00 0.09 0.00 0.00 178.44 177.63 3hb3 h ALA 28 N 1.65 0.68 0.07 1.53 0.00 -0.88 -0.02 119.26 122.29 3hb3 h ALA 28 Ca 0.34 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hb3 h ALA 28 Cb 0.65 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hb3 h ALA 28 CO -0.11 0.57 -0.03 0.45 0.00 0.00 0.00 179.25 180.13 3hb3 h HIS 29 N 0.00 -0.09 0.30 0.00 3.86 -0.51 0.24 115.15 118.95 3hb3 h HIS 29 Ca -0.05 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3hb3 h HIS 29 Cb 1.36 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 3hb3 h HIS 29 CO 0.00 0.16 -0.37 -0.44 0.86 0.00 0.00 177.93 178.14 3hb3 h ASP 30 N -0.33 -1.04 -0.55 2.45 3.32 -1.20 -1.07 116.42 118.00 3hb3 h ASP 30 Ca -0.01 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.24 3hb3 h ASP 30 Cb 0.29 0.36 -0.10 0.00 0.22 0.00 0.00 39.33 40.10 3hb3 h ASP 30 CO 0.02 -0.47 -0.06 -0.61 -1.72 0.00 0.00 179.24 176.41 3hb3 h GLN 31 N -0.69 0.06 0.00 3.56 -0.00 -1.07 0.19 115.11 117.18 3hb3 h GLN 31 Ca -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 3hb3 h GLN 31 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.08 3hb3 h GLN 31 CO -0.09 0.04 -0.11 1.96 0.00 0.00 0.00 178.83 180.64 3hb3 h GLN 32 N 0.07 0.00 0.03 1.69 4.20 -0.37 -0.69 115.11 120.04 3hb3 h GLN 32 Ca 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 3hb3 h GLN 32 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hb3 h GLN 32 CO -0.50 0.11 -0.02 2.35 -0.67 0.00 0.00 178.83 180.10 3hb3 h TRP 33 N 0.00 -0.04 -0.58 2.96 7.01 0.61 -2.56 115.95 123.34 3hb3 h TRP 33 Ca -0.00 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.11 3hb3 h TRP 33 Cb 0.55 0.01 -0.11 0.00 -2.10 0.00 0.00 29.16 27.51 3hb3 h TRP 33 CO 0.00 0.48 -0.17 1.25 -2.79 0.00 0.00 178.44 177.22 3hb3 h LEU 34 N -0.97 -0.61 -0.68 0.65 5.85 -0.80 -0.47 115.31 118.29 3hb3 h LEU 34 Ca -0.00 0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3hb3 h LEU 34 Cb 0.55 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3hb3 h LEU 34 CO 0.01 -0.21 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.01 3hb3 h ASP 35 N -0.02 0.91 -0.06 1.25 3.58 -1.19 0.17 116.42 121.06 3hb3 h ASP 35 Ca 0.28 -0.29 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 3hb3 h ASP 35 Cb 0.45 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3hb3 h ASP 35 CO -0.61 1.03 -0.24 -0.74 -2.88 0.00 0.00 179.24 175.80 3hb3 h HIS 36 N 0.82 0.54 0.40 0.28 2.76 -1.00 -0.50 115.15 118.44 3hb3 h HIS 36 Ca 0.13 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3hb3 h HIS 36 Cb 0.64 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3hb3 h HIS 36 CO 0.04 0.69 -0.19 0.35 -1.30 0.00 0.00 177.93 177.52 3hb3 h PHE 37 N 0.43 -0.49 -0.00 5.26 3.57 -0.15 -0.76 116.94 124.80 3hb3 h PHE 37 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hb3 h PHE 37 Cb 0.66 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 3hb3 h PHE 37 CO 0.02 -0.31 0.40 0.28 -2.23 0.00 0.00 178.31 176.47 3hb3 h VAL 38 N -0.54 0.00 0.00 1.41 2.07 -0.72 -0.55 116.25 117.92 3hb3 h VAL 38 Ca -0.05 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.22 3hb3 h VAL 38 Cb 0.41 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hb3 h VAL 38 CO 0.09 0.00 -1.53 0.25 0.02 0.00 0.00 177.57 176.40 3hb3 h LEU 39 N 0.00 0.00 -0.64 2.57 5.85 -0.48 -2.54 115.31 120.07 3hb3 h LEU 39 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hb3 h LEU 39 Cb 0.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3hb3 h LEU 39 CO -0.00 0.86 0.29 1.88 -0.34 0.00 0.00 178.44 181.13 3hb3 h TYR 40 N 0.00 0.93 0.76 1.25 -1.99 0.37 -0.65 116.97 117.64 3hb3 h TYR 40 Ca -0.22 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.42 3hb3 h TYR 40 Cb 1.85 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 40.31 3hb3 h TYR 40 CO 0.00 0.71 -0.37 0.82 -0.00 0.00 0.00 178.16 179.33 3hb3 h ILE 41 N 0.88 0.06 -0.45 -2.88 2.04 -1.47 -2.27 117.51 113.42 3hb3 h ILE 41 Ca 0.22 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3hb3 h ILE 41 Cb 0.15 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3hb3 h ILE 41 CO -0.02 0.01 0.30 0.16 0.00 0.00 0.00 178.15 178.60 3hb3 h ILE 42 N -1.24 0.97 -0.16 -0.67 3.07 -1.52 0.11 117.51 118.07 3hb3 h ILE 42 Ca -0.10 -0.13 -0.09 0.00 1.55 0.00 0.00 64.86 66.09 3hb3 h ILE 42 Cb 0.79 0.56 -0.01 0.00 -0.27 0.00 0.00 36.82 37.89 3hb3 h ILE 42 CO 0.17 0.07 -0.28 0.74 -1.05 0.00 0.00 178.15 177.80 3hb3 h THR 43 N 0.37 1.26 0.06 0.16 2.02 -0.91 -1.27 112.91 114.60 3hb3 h THR 43 Ca 0.20 -1.23 -0.17 0.00 0.77 0.00 0.00 66.41 65.97 3hb3 h THR 43 Cb 0.31 1.45 0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3hb3 h THR 43 CO -0.05 0.38 -0.69 0.00 0.37 0.00 0.00 175.52 175.53 3hb3 h ALA 44 N 1.44 -0.00 -0.86 6.16 0.00 -0.53 -0.92 119.26 124.55 3hb3 h ALA 44 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.34 3hb3 h ALA 44 Cb 0.64 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3hb3 h ALA 44 CO 0.05 0.36 0.57 0.28 0.00 0.00 0.00 179.25 180.51 3hb3 h VAL 45 N -0.23 1.22 -0.05 0.00 2.07 -0.65 -0.75 116.25 117.86 3hb3 h VAL 45 Ca -0.10 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.84 3hb3 h VAL 45 Cb 1.46 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hb3 h VAL 45 CO 0.13 0.21 -0.74 0.74 0.02 0.00 0.00 177.57 177.93 3hb3 h THR 46 N 1.16 1.41 0.00 2.57 2.02 -1.15 -2.13 112.91 116.79 3hb3 h THR 46 Ca 0.32 -2.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.19 3hb3 h THR 46 Cb -0.13 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3hb3 h THR 46 CO -0.07 0.66 -0.36 0.40 0.37 0.00 0.00 175.52 176.52 3hb3 h ILE 47 N 0.21 0.70 0.43 3.11 2.04 -0.34 -0.62 117.51 123.04 3hb3 h ILE 47 Ca -0.03 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 3hb3 h ILE 47 Cb 1.32 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3hb3 h ILE 47 CO 0.12 0.36 -0.21 0.15 0.00 0.00 0.00 178.15 178.57 3hb3 h PHE 48 N 0.00 -0.54 -0.98 1.37 3.57 -0.89 -1.17 116.94 118.31 3hb3 h PHE 48 Ca -0.00 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.70 3hb3 h PHE 48 Cb 1.11 0.18 -0.19 0.00 2.79 0.00 0.00 35.95 39.84 3hb3 h PHE 48 CO 0.00 -0.33 -0.18 0.28 -2.23 0.00 0.00 178.31 175.85 3hb3 n VAL 49 N -3.80 -0.41 0.20 1.41 0.31 -0.83 -1.44 118.33 113.78 3hb3 n VAL 49 Ca -0.07 2.23 0.05 0.00 -0.01 0.00 0.00 64.34 66.54 3hb3 n VAL 49 Cb 0.23 -3.13 0.44 0.00 -0.91 0.00 0.00 33.84 30.47 3hb3 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hb3 h LEU 51 N 0.00 0.72 -0.39 0.00 3.38 -0.03 -0.64 115.31 118.34 3hb3 h LEU 51 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3hb3 h LEU 51 Cb 0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3hb3 h LEU 51 CO 0.04 1.24 0.18 -0.07 0.09 0.00 0.00 178.44 179.92 3hb3 h LEU 52 N 0.42 0.52 -0.58 1.67 3.38 -0.72 0.41 115.31 120.41 3hb3 h LEU 52 Ca -0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3hb3 h LEU 52 Cb 1.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3hb3 h LEU 52 CO 0.14 0.52 0.09 -0.07 0.09 0.00 0.00 178.44 179.21 3hb3 h LEU 53 N 0.49 0.92 -1.17 1.67 4.07 -1.23 0.41 115.31 120.47 3hb3 h LEU 53 Ca 0.13 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.85 3hb3 h LEU 53 Cb 0.14 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 3hb3 h LEU 53 CO -0.02 0.95 0.56 0.25 -1.08 0.00 0.00 178.44 179.10 3hb3 h LEU 54 N 0.85 0.96 0.49 1.67 6.46 -0.67 -2.20 115.31 122.88 3hb3 h LEU 54 Ca 0.18 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3hb3 h LEU 54 Cb 0.42 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3hb3 h LEU 54 CO 0.01 0.69 -0.24 0.40 -0.62 0.00 0.00 178.44 178.69 3hb3 h ILE 55 N 1.13 0.39 -1.00 4.05 2.04 -0.06 0.90 117.51 124.96 3hb3 h ILE 55 Ca 0.32 -0.42 0.40 0.00 1.00 0.00 0.00 64.86 66.17 3hb3 h ILE 55 Cb -0.11 0.54 -0.18 0.00 -0.74 0.00 0.00 36.82 36.34 3hb3 h ILE 55 CO -0.07 0.06 0.52 0.00 0.00 0.00 0.00 178.15 178.65 3hb3 h ILE 57 N 0.03 1.33 0.00 0.00 2.04 -0.77 -1.53 117.51 118.61 3hb3 h ILE 57 Ca 0.83 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3hb3 h ILE 57 Cb 2.15 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 40.89 3hb3 h ILE 57 CO -0.76 0.76 -0.61 0.52 0.00 0.00 0.00 178.15 178.06 3hb3 n VAL 58 N -3.76 0.31 0.00 1.67 0.31 0.26 -4.24 118.33 112.89 3hb3 n VAL 58 Ca -0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3hb3 n VAL 58 Cb 0.96 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 3hb3 n VAL 58 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hb3 n ARG 59 N -2.04 2.66 -0.26 5.55 3.00 0.03 -4.71 116.66 120.88 3hb3 n ARG 59 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.97 3hb3 n ARG 59 Cb 0.43 -0.77 0.17 0.00 0.00 0.00 0.00 32.46 32.29 3hb3 n ARG 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3hb3 n PHE 60 N -0.90 0.05 -2.05 -0.14 3.72 -0.58 -3.99 117.46 113.57 3hb3 n PHE 60 Ca 0.00 -1.16 -0.30 0.00 -0.05 0.00 0.00 57.45 55.94 3hb3 n PHE 60 Cb 0.05 -0.19 0.02 0.00 -0.94 0.00 0.00 39.48 38.42 3hb3 n PHE 60 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hb3 s ASN 61 N -2.96 5.89 0.17 4.37 6.03 -1.17 -4.74 114.94 122.54 3hb3 s ASN 61 Ca 0.34 1.16 -0.23 0.00 -1.03 0.00 0.00 52.86 53.11 3hb3 s ASN 61 Cb 0.31 -2.16 0.07 0.00 -3.03 0.00 0.00 41.25 36.45 3hb3 s ASN 61 CO -0.00 -1.01 1.58 -0.09 -2.03 0.00 0.00 177.10 175.55 3hb3 h ARG 62 N -0.34 -0.21 -0.28 3.55 2.43 -1.95 -0.31 114.38 117.27 3hb3 h ARG 62 Ca -0.45 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 3hb3 h ARG 62 Cb 1.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3hb3 h ARG 62 CO 0.62 -0.14 0.19 -0.09 -1.51 0.00 0.00 179.97 179.05 3hb3 h ARG 63 N -0.22 0.14 0.00 0.20 9.65 -1.97 -1.88 114.38 120.29 3hb3 h ARG 63 Ca 0.19 -0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 58.78 3hb3 h ARG 63 Cb 0.56 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.06 3hb3 h ARG 63 CO -0.64 0.09 -1.71 0.00 2.80 0.00 0.00 179.97 180.52 3hb3 n ALA 64 N -2.55 1.50 -3.61 2.80 0.00 -0.36 -4.44 120.51 113.86 3hb3 n ALA 64 Ca 0.03 -0.77 -0.28 0.00 0.00 0.00 0.00 53.44 52.43 3hb3 n ALA 64 Cb 0.25 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 3hb3 n ALA 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hb3 s ASN 65 N -6.08 2.87 0.48 0.00 2.47 -0.27 -4.91 114.94 109.51 3hb3 s ASN 65 Ca -0.05 -3.35 -0.21 0.00 0.42 0.00 0.00 52.86 49.67 3hb3 s ASN 65 Cb 0.08 -0.93 -0.07 0.00 -1.45 0.00 0.00 41.25 38.88 3hb3 s ASN 65 CO 0.82 -0.14 1.11 -2.84 -3.72 0.00 0.00 177.10 172.34 3hb3 s PRO 66 N -0.51 3.69 -0.04 0.43 0.02 -0.71 -4.39 135.00 133.48 3hb3 s PRO 66 Ca 0.29 1.60 -0.00 0.00 0.02 0.00 0.00 61.00 62.91 3hb3 s PRO 66 Cb -0.01 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3hb3 s PRO 66 CO -0.17 -0.57 0.00 0.28 -0.33 0.00 0.00 177.00 176.20 3hb3 n VAL 67 N -0.80 -3.41 -2.43 3.83 0.31 -1.26 -5.02 118.33 109.55 3hb3 n VAL 67 Ca 0.09 0.26 -0.35 0.00 -0.01 0.00 0.00 64.34 64.33 3hb3 n VAL 67 Cb 0.50 -4.40 -0.02 0.00 -0.91 0.00 0.00 33.84 29.01 3hb3 n VAL 67 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3hb3 s PRO 68 N -0.24 3.69 1.10 5.55 0.04 -1.26 -5.06 135.00 138.82 3hb3 s PRO 68 Ca -0.00 1.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 3hb3 s PRO 68 Cb 0.00 -2.14 0.25 0.00 0.04 0.00 0.00 34.50 32.66 3hb3 s PRO 68 CO 0.11 -0.54 1.24 0.00 0.04 0.00 0.00 177.00 177.84 3hb3 s ALA 69 N -1.84 1.45 0.00 8.56 0.00 -1.26 -5.02 121.76 123.64 3hb3 s ALA 69 Ca 0.68 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3hb3 s ALA 69 Cb -0.20 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3hb3 s ALA 69 CO 0.24 -3.06 0.16 0.54 0.00 0.00 0.00 175.76 173.64 3hb3 n ARG 70 N -4.29 -0.03 -1.73 0.00 1.74 -1.26 -5.07 116.66 106.02 3hb3 n ARG 70 Ca 0.15 -0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 3hb3 n ARG 70 Cb 0.59 -0.57 0.04 0.00 -1.02 0.00 0.00 32.46 31.51 3hb3 n ARG 70 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3hb3 n PHE 71 N -0.01 2.20 -0.70 -1.55 -1.74 -1.26 -4.94 117.46 109.45 3hb3 n PHE 71 Ca 0.00 0.44 0.01 0.00 -0.56 0.00 0.00 57.45 57.34 3hb3 n PHE 71 Cb 0.27 -2.35 0.01 0.00 1.52 0.00 0.00 39.48 38.92 3hb3 n PHE 71 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 3hb3 n THR 72 N -0.95 0.50 -0.11 1.97 -2.24 -1.26 -5.10 114.28 107.10 3hb3 n THR 72 Ca 0.10 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hb3 n THR 72 Cb 0.44 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3hb3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb3 n HIS 73 N -0.28 0.00 0.00 4.78 1.44 -1.26 -5.12 115.22 114.78 3hb3 n HIS 73 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3hb3 n HIS 73 Cb 0.43 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.54 3hb3 n HIS 73 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3hb3 n ASN 74 N 1.16 0.00 -0.36 4.39 2.85 -1.26 -5.08 115.26 116.96 3hb3 n ASN 74 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 3hb3 n ASN 74 Cb 0.00 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.26 3hb3 n ASN 74 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3hb3 h THR 75 N 0.00 0.93 -0.37 -0.44 2.02 -2.00 -2.46 112.91 110.59 3hb3 h THR 75 Ca 0.00 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.89 3hb3 h THR 75 Cb 0.00 -0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.17 3hb3 h THR 75 CO 0.00 0.18 -0.48 -0.65 0.37 0.00 0.00 175.52 174.94 3hb3 h PRO 76 N 1.00 -0.37 0.00 6.66 0.10 -2.00 -2.58 132.00 134.80 3hb3 h PRO 76 Ca 0.49 0.03 -0.08 0.00 0.10 0.00 0.00 66.00 66.54 3hb3 h PRO 76 Cb 0.47 0.08 -0.01 0.00 0.10 0.00 0.00 31.00 31.64 3hb3 h PRO 76 CO -0.25 -0.25 -0.37 0.82 0.10 0.00 0.00 178.00 178.05 3hb3 h ILE 77 N -0.39 1.08 -0.43 4.15 2.04 -1.88 -1.99 117.51 120.09 3hb3 h ILE 77 Ca 0.10 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.70 3hb3 h ILE 77 Cb 0.60 1.77 -0.09 0.00 -0.74 0.00 0.00 36.82 38.36 3hb3 h ILE 77 CO -0.56 0.36 -0.30 -0.08 0.00 0.00 0.00 178.15 177.57 3hb3 h GLU 78 N 0.00 -0.21 -0.36 2.37 4.57 -1.31 -2.19 114.58 117.46 3hb3 h GLU 78 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hb3 h GLU 78 Cb 0.74 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3hb3 h GLU 78 CO 0.05 -0.14 0.23 0.28 -1.18 0.00 0.00 179.01 178.25 3hb3 h VAL 79 N -0.22 1.09 0.00 0.32 2.07 -0.98 0.18 116.25 118.72 3hb3 h VAL 79 Ca 0.19 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3hb3 h VAL 79 Cb 0.52 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3hb3 h VAL 79 CO -0.55 0.09 -0.09 0.40 0.02 0.00 0.00 177.57 177.44 3hb3 h ILE 80 N 0.48 0.26 -0.02 4.57 2.04 -1.12 0.01 117.51 123.73 3hb3 h ILE 80 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hb3 h ILE 80 Cb -0.05 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3hb3 h ILE 80 CO -0.03 0.09 -0.14 -2.67 0.00 0.00 0.00 178.15 175.39 3hb3 n TRP 81 N -3.26 0.00 -0.03 1.37 2.14 -0.87 -2.22 117.44 114.57 3hb3 n TRP 81 Ca -0.00 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.56 3hb3 n TRP 81 Cb 0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.81 3hb3 n TRP 81 CO 0.00 0.00 0.00 1.15 2.07 0.00 0.00 177.69 180.91 3hb3 h THR 82 N 2.66 0.00 -1.01 -1.67 2.02 -0.35 -3.40 112.91 111.16 3hb3 h THR 82 Ca 0.00 -0.56 0.25 0.00 0.77 0.00 0.00 66.41 66.87 3hb3 h THR 82 Cb 0.63 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.92 3hb3 h THR 82 CO 0.00 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.42 3hb3 h LEU 83 N -0.56 0.64 -0.19 2.58 -0.00 -1.17 -2.46 115.31 114.16 3hb3 h LEU 83 Ca 0.00 0.14 -0.14 0.00 -0.00 0.00 0.00 57.88 57.88 3hb3 h LEU 83 Cb 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 3hb3 h LEU 83 CO 0.00 0.09 -0.43 0.58 -0.00 0.00 0.00 178.44 178.68 3hb3 h VAL 84 N 0.55 1.33 -0.66 1.22 2.07 -1.67 -0.82 116.25 118.27 3hb3 h VAL 84 Ca 0.65 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3hb3 h VAL 84 Cb 1.29 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 3hb3 h VAL 84 CO -0.47 0.52 -0.43 -0.65 0.02 0.00 0.00 177.57 176.56 3hb3 h PRO 85 N 0.30 -0.04 -0.80 1.57 0.11 -1.71 -1.74 132.00 129.68 3hb3 h PRO 85 Ca -0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 3hb3 h PRO 85 Cb 1.04 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.04 3hb3 h PRO 85 CO 0.09 -0.03 0.27 0.28 -0.21 0.00 0.00 178.00 178.41 3hb3 h VAL 86 N -0.05 0.51 0.08 3.15 2.07 -1.25 -1.16 116.25 119.60 3hb3 h VAL 86 Ca 0.11 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hb3 h VAL 86 Cb 0.32 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3hb3 h VAL 86 CO -0.65 0.06 -0.04 -0.07 0.02 0.00 0.00 177.57 176.90 3hb3 h LEU 87 N 0.34 -0.09 -0.91 2.57 -0.00 -0.98 -1.14 115.31 115.11 3hb3 h LEU 87 Ca 0.47 -0.06 0.12 0.00 -0.00 0.00 0.00 57.88 58.41 3hb3 h LEU 87 Cb 0.83 0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.43 3hb3 h LEU 87 CO -0.51 -0.00 0.53 0.40 -0.00 0.00 0.00 178.44 178.86 3hb3 h ILE 88 N -0.18 0.85 -0.09 1.22 2.04 -0.62 -0.41 117.51 120.33 3hb3 h ILE 88 Ca -0.01 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 3hb3 h ILE 88 Cb 0.14 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 3hb3 h ILE 88 CO 0.02 0.15 -0.40 -0.07 0.00 0.00 0.00 178.15 177.85 3hb3 h LEU 89 N 0.82 0.21 -0.19 1.44 3.38 -0.82 -2.30 115.31 117.85 3hb3 h LEU 89 Ca 0.46 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 58.13 3hb3 h LEU 89 Cb 0.52 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hb3 h LEU 89 CO -0.29 0.59 -0.77 0.58 0.09 0.00 0.00 178.44 178.64 3hb3 h VAL 90 N 0.17 1.29 0.51 1.22 2.07 0.15 -1.49 116.25 120.16 3hb3 h VAL 90 Ca 0.02 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 3hb3 h VAL 90 Cb 0.78 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3hb3 h VAL 90 CO 0.06 0.63 -0.24 0.00 0.02 0.00 0.00 177.57 178.03 3hb3 h ALA 91 N 0.61 -1.08 -0.54 1.67 0.00 -1.21 0.11 119.26 118.82 3hb3 h ALA 91 Ca -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hb3 h ALA 91 Cb 1.39 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 3hb3 h ALA 91 CO 0.16 -1.03 -0.28 -0.89 0.00 0.00 0.00 179.25 177.21 3hb3 n ILE 92 N -4.00 -0.34 0.26 0.00 5.41 -0.87 -0.10 119.36 119.72 3hb3 n ILE 92 Ca -0.08 1.29 0.16 0.00 1.00 0.00 0.00 62.75 65.11 3hb3 n ILE 92 Cb 0.27 -1.63 0.61 0.00 -0.71 0.00 0.00 39.64 38.19 3hb3 n ILE 92 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hb3 h GLY 93 N 0.00 0.00 1.08 7.39 0.00 -0.99 0.75 103.07 111.30 3hb3 h GLY 93 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3hb3 h GLY 93 CO -0.52 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 175.91 3hb3 h ALA 94 N 1.96 0.71 0.08 3.60 0.00 0.22 -2.00 119.26 123.82 3hb3 h ALA 94 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3hb3 h ALA 94 Cb 0.58 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hb3 h ALA 94 CO 0.01 0.63 -0.62 0.74 0.00 0.00 0.00 179.25 180.00 3hb3 h PHE 95 N 0.86 0.30 -0.78 0.00 0.04 -0.85 -3.34 116.94 113.18 3hb3 h PHE 95 Ca 0.13 -0.22 0.15 0.00 2.80 0.00 0.00 57.97 60.83 3hb3 h PHE 95 Cb 0.68 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 3hb3 h PHE 95 CO 0.05 1.24 0.52 0.66 -0.60 0.00 0.00 178.31 180.17 3hb3 h SER 96 N -0.63 0.43 -0.17 2.17 4.64 -0.94 -3.16 113.55 115.89 3hb3 h SER 96 Ca -0.12 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 3hb3 h SER 96 Cb 1.41 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3hb3 h SER 96 CO 0.06 0.22 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.77 3hb3 h LEU 97 N 0.45 0.64 0.19 5.97 3.38 -1.48 -2.52 115.31 121.95 3hb3 h LEU 97 Ca 0.38 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hb3 h LEU 97 Cb 0.83 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3hb3 h LEU 97 CO -0.13 1.09 -0.35 -0.65 0.09 0.00 0.00 178.44 178.50 3hb3 h PRO 98 N 0.22 -0.55 -0.89 1.13 0.11 -1.74 -0.47 132.00 129.80 3hb3 h PRO 98 Ca -0.00 0.04 0.36 0.00 0.11 0.00 0.00 66.00 66.50 3hb3 h PRO 98 Cb 1.01 0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 3hb3 h PRO 98 CO 0.09 -0.37 0.42 -0.89 -0.21 0.00 0.00 178.00 177.03 3hb3 n ILE 99 N -4.45 -0.37 0.15 4.15 5.41 -1.23 -0.38 119.36 122.63 3hb3 n ILE 99 Ca -0.07 1.82 -0.13 0.00 1.00 0.00 0.00 62.75 65.38 3hb3 n ILE 99 Cb 0.29 -2.92 -0.08 0.00 -0.71 0.00 0.00 39.64 36.22 3hb3 n ILE 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3hb3 h LEU 100 N 0.00 -0.34 -0.59 1.39 5.85 -1.02 -0.39 115.31 120.20 3hb3 h LEU 100 Ca 0.73 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 59.38 3hb3 h LEU 100 Cb 1.88 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.89 3hb3 h LEU 100 CO -0.70 0.04 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.17 3hb3 h PHE 101 N -0.79 -0.05 -0.03 1.25 -1.00 0.97 0.66 116.94 117.95 3hb3 h PHE 101 Ca -0.04 0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 3hb3 h PHE 101 Cb 0.51 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 3hb3 h PHE 101 CO 0.03 -0.16 -0.55 -0.09 -1.61 0.00 0.00 178.31 175.93 3hb3 h ARG 102 N 0.11 0.09 0.14 1.51 2.43 -0.98 0.11 114.38 117.79 3hb3 h ARG 102 Ca 0.31 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 59.14 3hb3 h ARG 102 Cb 0.49 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3hb3 h ARG 102 CO -0.51 0.62 -1.25 0.66 -1.51 0.00 0.00 179.97 177.97 3hb3 h SER 103 N 0.07 0.64 -0.55 -3.80 4.64 0.40 -3.33 113.55 111.62 3hb3 h SER 103 Ca -0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3hb3 h SER 103 Cb 1.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3hb3 h SER 103 CO 0.08 1.48 0.00 1.67 -0.87 0.00 0.00 176.83 179.18 3hb3 n GLN 104 N -3.67 2.79 -2.99 4.77 -0.06 0.08 -4.75 117.38 113.55 3hb3 n GLN 104 Ca -0.11 -2.37 -0.42 0.00 -2.00 0.00 0.00 57.00 52.09 3hb3 n GLN 104 Cb 1.01 -1.43 -0.06 0.00 -4.06 0.00 0.00 30.24 25.70 3hb3 n GLN 104 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3hb3 s GLU 105 N -1.00 3.67 0.15 3.69 2.02 0.35 -5.05 118.70 122.53 3hb3 s GLU 105 Ca 0.37 0.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.23 3hb3 s GLU 105 Cb 0.19 -3.83 -0.07 0.00 0.10 0.00 0.00 34.13 30.52 3hb3 s GLU 105 CO 0.25 -0.87 1.02 -1.64 0.02 0.00 0.00 175.26 174.04 3hb3 s MET 106 N 3.04 4.67 0.45 1.61 -1.94 -1.26 -4.94 119.30 120.92 3hb3 s MET 106 Ca 0.29 1.57 -0.25 0.00 -1.71 0.00 0.00 55.69 55.59 3hb3 s MET 106 Cb -0.13 -3.33 -0.09 0.00 2.01 0.00 0.00 34.83 33.29 3hb3 s MET 106 CO 0.17 0.18 1.36 -0.35 -0.01 0.00 0.00 175.02 176.37 3hb3 n PRO 107 N 2.52 2.08 0.00 2.03 -0.04 -1.26 -4.91 135.00 135.43 3hb3 n PRO 107 Ca 0.02 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 3hb3 n PRO 107 Cb 0.48 -2.53 0.42 0.00 -0.04 0.00 0.00 33.50 31.83 3hb3 n PRO 107 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hb3 n ASN 108 N -0.10 0.27 -2.66 3.54 5.03 -1.26 -4.38 115.26 115.71 3hb3 n ASN 108 Ca 0.06 0.09 -0.23 0.00 0.87 0.00 0.00 54.58 55.37 3hb3 n ASN 108 Cb 0.41 -0.09 -0.01 0.00 -1.02 0.00 0.00 39.78 39.07 3hb3 n ASN 108 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3hb3 n ASP 109 N -1.50 3.83 -4.77 6.41 5.75 -1.26 -5.09 116.55 119.92 3hb3 n ASP 109 Ca 0.06 -3.49 -0.40 0.00 -0.01 0.00 0.00 54.79 50.96 3hb3 n ASP 109 Cb 0.34 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 3hb3 n ASP 109 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3hb3 s PRO 110 N -3.38 4.30 0.45 0.11 0.04 -1.26 -4.93 135.00 130.34 3hb3 s PRO 110 Ca 0.44 1.96 0.20 0.00 0.04 0.00 0.00 61.00 63.63 3hb3 s PRO 110 Cb 0.38 -2.94 1.09 0.00 0.04 0.00 0.00 34.50 33.08 3hb3 s PRO 110 CO -0.13 -0.14 1.96 -0.44 0.04 0.00 0.00 177.00 178.29 3hb3 h ASP 111 N 3.18 0.00 -3.08 6.66 3.32 -1.79 -3.46 116.42 121.25 3hb3 h ASP 111 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hb3 h ASP 111 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.56 3hb3 h ASP 111 CO 0.65 0.22 -0.03 -0.22 -1.72 0.00 0.00 179.24 178.14 3hb3 s LEU 112 N -7.85 -0.80 -0.12 1.55 2.96 -1.20 -5.01 118.68 108.20 3hb3 s LEU 112 Ca -0.03 1.42 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3hb3 s LEU 112 Cb 0.14 2.23 -0.02 0.00 0.50 0.00 0.00 46.19 49.04 3hb3 s LEU 112 CO 0.66 -0.23 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.67 3hb3 s VAL 113 N 1.54 3.38 0.09 1.68 1.01 -1.26 -1.79 120.40 125.06 3hb3 s VAL 113 Ca -0.09 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.43 3hb3 s VAL 113 Cb -0.05 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3hb3 s VAL 113 CO -0.18 0.53 -0.25 -0.63 0.00 0.00 0.00 175.10 174.57 3hb3 s ILE 114 N 0.08 2.07 -0.18 2.22 1.01 -0.46 -4.37 121.20 121.58 3hb3 s ILE 114 Ca -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.02 3hb3 s ILE 114 Cb -0.14 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3hb3 s ILE 114 CO 0.04 0.14 -0.07 -0.75 0.00 0.00 0.00 174.94 174.31 3hb3 s LYS 115 N -1.74 3.46 -0.21 2.79 2.20 0.24 -1.02 119.74 125.46 3hb3 s LYS 115 Ca 0.11 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 3hb3 s LYS 115 Cb -0.10 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3hb3 s LYS 115 CO 0.04 0.04 -0.08 0.00 -0.36 0.00 0.00 175.35 175.00 3hb3 s ALA 116 N 0.85 2.71 -0.08 3.13 0.00 0.00 -1.92 121.76 126.46 3hb3 s ALA 116 Ca -0.02 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.81 3hb3 s ALA 116 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3hb3 s ALA 116 CO 0.01 -0.41 -0.22 0.42 0.00 0.00 0.00 175.76 175.56 3hb3 s ILE 117 N 1.44 2.28 -0.09 0.00 1.09 0.90 -1.47 121.20 125.35 3hb3 s ILE 117 Ca 0.06 -0.97 -0.01 0.00 -1.10 0.00 0.00 60.65 58.62 3hb3 s ILE 117 Cb -0.14 -1.86 -0.03 0.00 -1.06 0.00 0.00 42.46 39.37 3hb3 s ILE 117 CO -0.05 0.56 -0.02 -0.83 -0.10 0.00 0.00 174.94 174.50 3hb3 s GLY 118 N -0.03 1.79 0.06 6.18 0.00 -0.47 -1.41 107.32 113.44 3hb3 s GLY 118 Ca -0.07 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.84 3hb3 s GLY 118 CO 0.05 -0.54 -0.08 0.30 0.00 0.00 0.00 173.10 172.83 3hb3 s HIS 119 N -0.70 0.82 -0.46 1.90 3.76 0.40 -0.44 115.29 120.56 3hb3 s HIS 119 Ca 0.11 -0.60 -0.27 0.00 -0.15 0.00 0.00 55.06 54.15 3hb3 s HIS 119 Cb -0.12 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 3hb3 s HIS 119 CO 0.02 -0.07 1.99 -0.65 -0.85 0.00 0.00 174.74 175.18 3hb3 s GLN 120 N -2.21 2.78 -0.46 1.40 -0.21 -1.26 0.43 119.66 120.13 3hb3 s GLN 120 Ca -0.03 1.17 0.05 0.00 0.02 0.00 0.00 55.36 56.56 3hb3 s GLN 120 Cb -0.06 -4.37 0.18 0.00 1.00 0.00 0.00 33.01 29.76 3hb3 s GLN 120 CO -0.01 -2.52 0.40 0.91 -2.12 0.00 0.00 175.29 171.95 3hb3 n TRP 121 N 12.58 -0.02 -3.63 0.91 8.01 -1.26 -5.12 117.44 128.91 3hb3 n TRP 121 Ca 0.26 -3.53 0.01 0.00 -1.31 0.00 0.00 57.50 52.92 3hb3 n TRP 121 Cb 0.50 0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.81 3hb3 n TRP 121 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 3hb3 s TYR 122 N -0.44 -0.06 -0.08 -5.99 -0.85 0.17 -4.66 117.35 105.43 3hb3 s TYR 122 Ca 0.32 -0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.80 3hb3 s TYR 122 Cb 0.05 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 3hb3 s TYR 122 CO -0.18 -0.31 -0.02 -1.58 -1.52 0.00 0.00 175.55 171.94 3hb3 s TRP 123 N -2.49 3.08 -0.02 -3.49 0.52 -0.95 -0.46 118.94 115.14 3hb3 s TRP 123 Ca 0.14 0.11 -0.13 0.00 0.02 0.00 0.00 56.10 56.24 3hb3 s TRP 123 Cb 0.04 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 3hb3 s TRP 123 CO -0.04 0.39 0.36 -1.12 0.02 0.00 0.00 176.95 176.57 3hb3 s SER 124 N -0.77 6.72 -0.04 2.95 0.01 -0.50 -0.30 113.70 121.77 3hb3 s SER 124 Ca 0.12 0.86 0.05 0.00 1.31 0.00 0.00 55.95 58.29 3hb3 s SER 124 Cb -0.11 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 3hb3 s SER 124 CO 0.02 0.33 -0.18 -0.31 0.41 0.00 0.00 173.24 173.51 3hb3 s TYR 125 N -1.09 2.58 -0.02 2.43 2.02 0.38 -0.07 117.35 123.57 3hb3 s TYR 125 Ca 0.23 -0.25 0.07 0.00 -0.37 0.00 0.00 57.07 56.75 3hb3 s TYR 125 Cb -0.16 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 3hb3 s TYR 125 CO 0.12 0.12 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.77 3hb3 s GLU 126 N -0.72 1.97 -0.80 -0.62 2.02 -0.81 -1.56 118.70 118.18 3hb3 s GLU 126 Ca 0.11 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 3hb3 s GLU 126 Cb -0.10 -1.87 0.21 0.00 0.10 0.00 0.00 34.13 32.47 3hb3 s GLU 126 CO 0.00 0.49 0.70 0.71 0.02 0.00 0.00 175.26 177.18 3hb3 s TYR 127 N -0.50 3.71 -1.23 1.61 1.51 -0.58 -0.59 117.35 121.28 3hb3 s TYR 127 Ca 0.07 -2.44 0.18 0.00 -1.01 0.00 0.00 57.07 53.88 3hb3 s TYR 127 Cb -0.10 -3.54 0.86 0.00 -0.11 0.00 0.00 41.96 39.07 3hb3 s TYR 127 CO -0.00 -0.90 1.57 -0.35 -1.11 0.00 0.00 175.55 174.76 3hb3 n PRO 128 N 3.46 0.14 -0.02 -1.71 -0.04 -1.26 -0.13 135.00 135.44 3hb3 n PRO 128 Ca 0.14 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3hb3 n PRO 128 Cb 0.42 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.48 3hb3 n PRO 128 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hb3 n ASN 129 N -1.38 2.74 0.00 3.54 3.02 -1.26 -4.37 115.26 117.54 3hb3 n ASN 129 Ca 0.07 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 3hb3 n ASN 129 Cb 0.18 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3hb3 n ASN 129 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hb3 n ASP 130 N 1.14 0.94 -3.84 6.41 8.00 0.81 -5.02 116.55 125.00 3hb3 n ASP 130 Ca 0.12 -1.19 -0.29 0.00 0.71 0.00 0.00 54.79 54.15 3hb3 n ASP 130 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 3hb3 n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hb3 n GLY 131 N -0.10 -0.50 3.35 0.44 0.00 -1.08 -4.85 105.19 102.45 3hb3 n GLY 131 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3hb3 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb3 s VAL 132 N -3.32 2.08 -0.29 1.61 1.01 -1.22 -1.87 120.40 118.41 3hb3 s VAL 132 Ca 0.62 -1.58 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3hb3 s VAL 132 Cb -0.30 -1.83 0.13 0.00 0.00 0.00 0.00 36.38 34.37 3hb3 s VAL 132 CO 0.81 0.15 0.86 0.00 0.00 0.00 0.00 175.10 176.92 3hb3 s ALA 133 N -0.99 -2.18 0.15 5.51 0.00 -0.99 -1.52 121.76 121.74 3hb3 s ALA 133 Ca 0.12 2.27 -0.20 0.00 0.00 0.00 0.00 51.96 54.15 3hb3 s ALA 133 Cb -0.10 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.41 3hb3 s ALA 133 CO 0.04 -0.46 0.52 -0.59 0.00 0.00 0.00 175.76 175.28 3hb3 s PHE 134 N 1.65 -0.37 0.06 0.00 -0.71 -0.60 -4.62 117.98 113.39 3hb3 s PHE 134 Ca -0.09 0.10 0.02 0.00 -1.04 0.00 0.00 56.93 55.93 3hb3 s PHE 134 Cb -0.05 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3hb3 s PHE 134 CO -0.17 -0.81 0.07 -0.51 -1.34 0.00 0.00 175.22 172.46 3hb3 s ASP 135 N -2.78 5.52 -0.03 1.98 1.01 -1.26 -0.47 116.67 120.64 3hb3 s ASP 135 Ca 0.03 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.33 3hb3 s ASP 135 Cb -0.00 -1.50 -0.00 0.00 1.01 0.00 0.00 42.92 42.43 3hb3 s ASP 135 CO -0.11 0.19 -0.13 0.00 0.21 0.00 0.00 175.17 175.33 3hb3 s ALA 136 N -1.34 1.17 0.02 5.23 0.00 0.59 -4.42 121.76 123.00 3hb3 s ALA 136 Ca 0.28 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3hb3 s ALA 136 Cb -0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3hb3 s ALA 136 CO 0.20 0.22 -0.04 -0.51 0.00 0.00 0.00 175.76 175.62 3hb3 s LEU 137 N 0.05 2.16 0.50 0.00 2.01 -1.26 -2.24 118.68 119.90 3hb3 s LEU 137 Ca -0.02 -0.36 -0.23 0.00 0.01 0.00 0.00 54.13 53.53 3hb3 s LEU 137 Cb -0.09 -0.06 -0.06 0.00 0.01 0.00 0.00 46.19 45.99 3hb3 s LEU 137 CO 0.01 -0.16 1.28 -0.32 1.01 0.00 0.00 176.35 178.17 3hb3 s MET 138 N -1.02 3.47 0.61 1.70 -2.45 -1.26 -1.64 119.30 118.71 3hb3 s MET 138 Ca -0.08 2.06 -0.13 0.00 -1.25 0.00 0.00 55.69 56.29 3hb3 s MET 138 Cb -0.07 -2.38 -0.04 0.00 1.25 0.00 0.00 34.83 33.60 3hb3 s MET 138 CO -0.00 -0.87 1.03 -0.51 1.05 0.00 0.00 175.02 175.72 3hb3 s LEU 139 N -3.20 3.32 0.17 4.11 1.43 -0.93 -4.78 118.68 118.80 3hb3 s LEU 139 Ca 0.67 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 3hb3 s LEU 139 Cb -0.36 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.34 3hb3 s LEU 139 CO 0.43 -0.93 0.25 -1.61 0.23 0.00 0.00 176.35 174.72 3hb3 s GLU 140 N -4.81 3.26 0.31 1.70 0.41 -1.26 -4.95 118.70 113.35 3hb3 s GLU 140 Ca 0.57 -0.72 0.07 0.00 -0.41 0.00 0.00 54.97 54.48 3hb3 s GLU 140 Cb -0.12 -2.84 0.84 0.00 -1.78 0.00 0.00 34.13 30.23 3hb3 s GLU 140 CO 0.48 0.49 1.69 0.87 -0.49 0.00 0.00 175.26 178.30 3hb3 h LYS 141 N 2.05 0.39 -0.24 1.61 1.57 -1.98 -1.07 116.57 118.90 3hb3 h LYS 141 Ca -0.49 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 3hb3 h LYS 141 Cb 1.20 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3hb3 h LYS 141 CO 0.66 0.26 -0.33 0.93 -0.57 0.00 0.00 179.45 180.39 3hb3 h GLU 142 N 0.40 0.50 0.00 3.15 3.07 -2.02 -2.55 114.58 117.12 3hb3 h GLU 142 Ca 0.62 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3hb3 h GLU 142 Cb 1.24 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3hb3 h GLU 142 CO -0.55 0.76 0.00 0.00 -1.40 0.00 0.00 179.01 177.82 3hb3 n ALA 143 N -2.49 1.32 0.01 3.43 0.00 -0.41 -4.23 120.51 118.13 3hb3 n ALA 143 Ca -0.01 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 3hb3 n ALA 143 Cb 0.46 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 3hb3 n ALA 143 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hb3 h LEU 144 N 0.00 -0.01 -1.73 0.00 3.38 -1.37 -3.01 115.31 112.57 3hb3 h LEU 144 Ca 0.00 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3hb3 h LEU 144 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hb3 h LEU 144 CO 0.00 0.33 -0.15 0.00 0.09 0.00 0.00 178.44 178.70 3hb3 h ALA 145 N 0.64 1.25 0.00 1.53 0.00 -1.73 -2.31 119.26 118.63 3hb3 h ALA 145 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hb3 h ALA 145 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hb3 h ALA 145 CO 0.00 0.19 -0.13 -0.44 0.00 0.00 0.00 179.25 178.87 3hb3 h ASP 146 N 0.00 0.00 -0.21 0.00 3.32 -1.83 -3.10 116.42 114.60 3hb3 h ASP 146 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hb3 h ASP 146 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hb3 h ASP 146 CO 0.02 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 3hb3 n ALA 147 N -2.13 2.48 -0.64 3.45 0.00 -0.91 -4.95 120.51 117.80 3hb3 n ALA 147 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3hb3 n ALA 147 Cb 0.58 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3hb3 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb3 n GLY 148 N 1.31 0.80 3.84 0.00 0.00 -1.10 -4.95 105.19 105.08 3hb3 n GLY 148 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hb3 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hb3 s TYR 149 N -3.09 3.35 0.62 1.61 2.02 -0.95 -5.02 117.35 115.89 3hb3 s TYR 149 Ca 0.00 1.36 -0.06 0.00 -0.37 0.00 0.00 57.07 58.00 3hb3 s TYR 149 Cb 0.00 -2.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.93 3hb3 s TYR 149 CO 0.00 -0.00 0.93 -1.54 -1.57 0.00 0.00 175.55 173.37 3hb3 s SER 150 N -2.29 5.40 0.15 2.29 1.04 -1.26 -3.66 113.70 115.36 3hb3 s SER 150 Ca 0.57 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 57.48 3hb3 s SER 150 Cb -0.10 -1.55 0.04 0.00 0.10 0.00 0.00 66.02 64.52 3hb3 s SER 150 CO 0.17 -1.20 1.75 -0.33 0.98 0.00 0.00 173.24 174.61 3hb3 h GLU 151 N -0.28 0.25 -0.03 4.02 4.39 -1.95 -1.65 114.58 119.33 3hb3 h GLU 151 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3hb3 h GLU 151 Cb 1.27 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3hb3 h GLU 151 CO 0.60 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.22 3hb3 n ASP 152 N -5.02 0.03 -0.65 1.42 5.68 -1.26 -1.16 116.55 115.59 3hb3 n ASP 152 Ca 0.01 -0.65 0.06 0.00 -0.50 0.00 0.00 54.79 53.71 3hb3 n ASP 152 Cb 0.12 -0.02 0.16 0.00 -1.14 0.00 0.00 41.12 40.24 3hb3 n ASP 152 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hb3 n GLU 153 N -0.42 2.87 -0.29 0.11 1.02 -0.62 -4.65 120.64 118.67 3hb3 n GLU 153 Ca 0.00 -2.06 0.06 0.00 -0.02 0.00 0.00 57.16 55.14 3hb3 n GLU 153 Cb 0.01 -1.28 0.16 0.00 -0.02 0.00 0.00 31.44 30.32 3hb3 n GLU 153 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hb3 h TYR 154 N 2.07 -0.20 -0.57 -0.32 3.20 -1.26 -1.37 116.97 118.51 3hb3 h TYR 154 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3hb3 h TYR 154 Cb 0.74 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3hb3 h TYR 154 CO 0.24 -0.33 0.00 1.28 -1.64 0.00 0.00 178.16 177.71 3hb3 n LEU 155 N -5.45 5.36 -0.07 2.82 4.77 -1.26 -4.44 117.00 118.73 3hb3 n LEU 155 Ca 0.15 -2.72 -0.08 0.00 -0.03 0.00 0.00 56.01 53.34 3hb3 n LEU 155 Cb 0.51 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 3hb3 n LEU 155 CO -0.01 0.65 -0.94 0.18 -1.33 0.00 0.00 177.39 175.94 3hb3 n LEU 156 N 0.72 1.00 -4.72 2.23 4.77 -0.66 -4.63 117.00 115.71 3hb3 n LEU 156 Ca 0.26 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 3hb3 n LEU 156 Cb 1.10 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 42.17 3hb3 n LEU 156 CO 0.30 0.46 0.84 0.00 -1.33 0.00 0.00 177.39 177.65 3hb3 s ALA 157 N -2.30 3.36 0.48 -1.18 0.00 -0.61 -3.85 121.76 117.67 3hb3 s ALA 157 Ca -0.11 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3hb3 s ALA 157 Cb 0.04 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3hb3 s ALA 157 CO 0.45 -0.36 0.32 0.95 0.00 0.00 0.00 175.76 177.12 3hb3 s THR 158 N 0.68 2.04 -0.08 0.00 -4.23 -1.26 -2.18 115.64 110.61 3hb3 s THR 158 Ca 0.55 -1.54 -0.26 0.00 -1.18 0.00 0.00 61.69 59.27 3hb3 s THR 158 Cb -0.29 -2.58 -0.26 0.00 1.34 0.00 0.00 72.50 70.72 3hb3 s THR 158 CO 0.31 0.00 0.92 -2.24 -0.54 0.00 0.00 174.62 173.06 3hb3 h ASP 159 N 1.03 0.16 -3.19 3.99 3.04 -1.62 -3.44 116.42 116.41 3hb3 h ASP 159 Ca -0.40 -0.88 -0.65 0.00 -3.24 0.00 0.00 57.03 51.87 3hb3 h ASP 159 Cb 1.28 -0.05 -0.14 0.00 -1.04 0.00 0.00 39.33 39.37 3hb3 h ASP 159 CO 0.62 1.03 -0.57 0.20 -2.04 0.00 0.00 179.24 178.47 3hb3 s ASN 160 N -6.36 5.58 0.29 4.15 0.02 -1.26 -5.04 114.94 112.32 3hb3 s ASN 160 Ca -0.17 0.15 -0.21 0.00 -1.02 0.00 0.00 52.86 51.62 3hb3 s ASN 160 Cb -0.01 -1.82 -0.09 0.00 0.02 0.00 0.00 41.25 39.35 3hb3 s ASN 160 CO 0.73 0.28 0.82 -2.16 0.02 0.00 0.00 177.10 176.79 3hb3 s PRO 161 N -0.26 4.31 -0.19 -0.60 0.04 -1.26 -4.68 135.00 132.35 3hb3 s PRO 161 Ca 0.08 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 3hb3 s PRO 161 Cb -0.12 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3hb3 s PRO 161 CO 0.02 0.27 1.56 0.08 0.04 0.00 0.00 177.00 178.97 3hb3 s VAL 162 N -1.70 3.77 -0.02 -0.36 1.01 -0.74 -4.94 120.40 117.41 3hb3 s VAL 162 Ca 0.49 0.89 0.03 0.00 0.00 0.00 0.00 61.98 63.39 3hb3 s VAL 162 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3hb3 s VAL 162 CO 0.20 -0.25 -0.09 0.68 0.00 0.00 0.00 175.10 175.65 3hb3 s VAL 163 N 4.76 3.53 -0.00 2.92 -7.23 -1.26 -0.33 120.40 122.78 3hb3 s VAL 163 Ca 0.69 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 3hb3 s VAL 163 Cb -0.25 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 3hb3 s VAL 163 CO 0.27 0.48 0.11 0.68 -0.31 0.00 0.00 175.10 176.33 3hb3 s VAL 164 N -0.90 0.07 0.23 1.32 -7.23 -0.24 -4.96 120.40 108.69 3hb3 s VAL 164 Ca 0.15 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 3hb3 s VAL 164 Cb -0.11 -0.35 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 3hb3 s VAL 164 CO 0.05 -0.33 1.00 -2.16 -0.31 0.00 0.00 175.10 173.34 3hb3 s PRO 165 N -1.12 4.76 0.65 4.82 0.04 -1.26 0.21 135.00 143.10 3hb3 s PRO 165 Ca -0.12 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 3hb3 s PRO 165 Cb -0.07 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 3hb3 s PRO 165 CO 0.01 0.36 1.16 0.14 0.04 0.00 0.00 177.00 178.71 3hb3 s VAL 166 N -0.93 2.80 -0.98 -0.36 -7.23 -0.37 -4.04 120.40 109.30 3hb3 s VAL 166 Ca 0.43 0.42 -0.05 0.00 -1.81 0.00 0.00 61.98 60.97 3hb3 s VAL 166 Cb -0.27 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 33.66 3hb3 s VAL 166 CO 0.34 -0.19 0.85 0.61 -0.31 0.00 0.00 175.10 176.40 3hb3 n GLY 167 N 0.07 -0.16 3.28 2.32 0.00 0.26 -4.85 105.19 106.11 3hb3 n GLY 167 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3hb3 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb3 s LYS 168 N -5.73 0.82 -0.33 1.61 -0.14 -1.26 -4.92 119.74 109.79 3hb3 s LYS 168 Ca 0.33 -0.37 -0.26 0.00 -1.36 0.00 0.00 55.97 54.31 3hb3 s LYS 168 Cb -0.14 0.36 0.01 0.00 -1.68 0.00 0.00 37.83 36.38 3hb3 s LYS 168 CO 0.54 -0.26 0.90 0.15 -0.76 0.00 0.00 175.35 175.92 3hb3 s LYS 169 N -2.20 3.96 -0.16 1.68 1.02 -1.26 -4.13 119.74 118.64 3hb3 s LYS 169 Ca -0.07 0.71 -0.04 0.00 0.02 0.00 0.00 55.97 56.59 3hb3 s LYS 169 Cb -0.02 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 3hb3 s LYS 169 CO -0.01 -0.81 -0.03 0.08 -0.92 0.00 0.00 175.35 173.66 3hb3 s VAL 170 N 3.27 3.89 -0.30 3.17 1.01 -0.40 -2.00 120.40 129.05 3hb3 s VAL 170 Ca 0.37 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 3hb3 s VAL 170 Cb -0.13 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3hb3 s VAL 170 CO 0.15 0.49 0.20 -0.22 0.00 0.00 0.00 175.10 175.72 3hb3 s LEU 171 N 0.43 4.15 -0.17 3.92 2.96 -0.74 -1.77 118.68 127.46 3hb3 s LEU 171 Ca -0.04 -0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 3hb3 s LEU 171 Cb -0.14 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3hb3 s LEU 171 CO 0.03 -0.10 0.35 -0.69 -1.32 0.00 0.00 176.35 174.62 3hb3 s VAL 172 N 1.75 5.26 -0.10 1.68 1.01 -0.48 -1.35 120.40 128.17 3hb3 s VAL 172 Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3hb3 s VAL 172 Cb -0.16 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3hb3 s VAL 172 CO 0.11 0.34 0.28 0.00 0.00 0.00 0.00 175.10 175.83 3hb3 s GLN 173 N 0.77 3.90 -0.07 2.72 -2.07 -0.19 -2.07 119.66 122.66 3hb3 s GLN 173 Ca 0.18 0.13 0.04 0.00 -1.82 0.00 0.00 55.36 53.90 3hb3 s GLN 173 Cb -0.14 -3.29 -0.00 0.00 -1.09 0.00 0.00 33.01 28.49 3hb3 s GLN 173 CO 0.06 0.55 -0.20 0.14 -1.32 0.00 0.00 175.29 174.52 3hb3 s VAL 174 N -0.49 1.72 0.35 3.63 -7.23 0.16 -0.82 120.40 117.72 3hb3 s VAL 174 Ca 0.18 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.46 3hb3 s VAL 174 Cb -0.14 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.33 3hb3 s VAL 174 CO 0.07 0.49 0.53 1.07 -0.31 0.00 0.00 175.10 176.94 3hb3 n THR 175 N 3.30 0.00 -3.95 5.32 5.66 -0.54 -1.85 114.28 122.22 3hb3 n THR 175 Ca -0.19 -1.62 -0.09 0.00 -3.05 0.00 0.00 64.05 59.10 3hb3 n THR 175 Cb 0.52 1.06 -0.08 0.00 -1.55 0.00 0.00 70.33 70.29 3hb3 n THR 175 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hb3 s ALA 176 N -2.64 0.07 -0.17 1.79 0.00 -1.26 -1.36 121.76 118.19 3hb3 s ALA 176 Ca 0.26 -0.88 0.14 0.00 0.00 0.00 0.00 51.96 51.49 3hb3 s ALA 176 Cb -0.02 0.62 -0.20 0.00 0.00 0.00 0.00 23.12 23.52 3hb3 s ALA 176 CO 0.19 -0.53 0.04 0.25 0.00 0.00 0.00 175.76 175.71 3hb3 n THR 177 N -0.09 1.14 -0.03 0.00 -2.24 0.41 -3.83 114.28 109.65 3hb3 n THR 177 Ca -0.11 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 60.94 3hb3 n THR 177 Cb 0.63 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3hb3 n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hb3 n ASP 178 N -2.64 1.13 -3.93 3.42 5.68 -1.26 -4.90 116.55 114.05 3hb3 n ASP 178 Ca -0.28 0.18 -0.20 0.00 -0.50 0.00 0.00 54.79 54.00 3hb3 n ASP 178 Cb 1.03 -0.51 -0.09 0.00 -1.14 0.00 0.00 41.12 40.41 3hb3 n ASP 178 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3hb3 s VAL 179 N -2.09 0.32 0.08 2.12 0.11 -1.26 -4.85 120.40 114.83 3hb3 s VAL 179 Ca -0.13 -2.00 -0.25 0.00 -2.93 0.00 0.00 61.98 56.68 3hb3 s VAL 179 Cb 0.02 -2.49 -0.06 0.00 -1.53 0.00 0.00 36.38 32.32 3hb3 s VAL 179 CO 0.19 0.00 0.75 -0.63 -3.33 0.00 0.00 175.10 172.08 3hb3 s ILE 180 N -3.53 4.64 0.00 7.04 1.01 -1.26 -4.60 121.20 124.50 3hb3 s ILE 180 Ca 0.35 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3hb3 s ILE 180 Cb 0.04 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3hb3 s ILE 180 CO 0.18 0.42 0.00 1.41 0.00 0.00 0.00 174.94 176.95 3hb3 n HIS 181 N 2.41 0.00 -3.66 3.97 8.25 -0.48 -4.50 115.22 121.22 3hb3 n HIS 181 Ca -0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 3hb3 n HIS 181 Cb 0.50 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 3hb3 n HIS 181 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hb3 s ALA 182 N -2.00 -1.30 -0.15 -1.41 0.00 -1.26 0.26 121.76 115.90 3hb3 s ALA 182 Ca 0.00 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 3hb3 s ALA 182 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3hb3 s ALA 182 CO 0.00 -0.29 0.05 -0.46 0.00 0.00 0.00 175.76 175.06 3hb3 s TRP 183 N -0.56 3.27 -0.08 0.00 -0.00 -0.04 -2.33 118.94 119.20 3hb3 s TRP 183 Ca -0.07 0.15 -0.24 0.00 -0.00 0.00 0.00 56.10 55.94 3hb3 s TRP 183 Cb -0.03 -1.98 0.05 0.00 -0.00 0.00 0.00 33.47 31.52 3hb3 s TRP 183 CO 0.04 0.31 0.56 -0.08 -0.00 0.00 0.00 176.95 177.78 3hb3 s THR 184 N -0.16 0.02 -0.32 5.86 -1.32 -1.26 -0.40 115.64 118.05 3hb3 s THR 184 Ca 0.07 -0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.44 3hb3 s THR 184 Cb -0.12 -0.86 0.10 0.00 -1.51 0.00 0.00 72.50 70.11 3hb3 s THR 184 CO 0.01 -0.07 0.07 -0.63 -2.21 0.00 0.00 174.62 171.79 3hb3 s ILE 185 N -0.89 1.62 0.05 5.08 -1.09 -1.10 -4.15 121.20 120.73 3hb3 s ILE 185 Ca -0.09 -1.88 -0.10 0.00 -2.23 0.00 0.00 60.65 56.34 3hb3 s ILE 185 Cb -0.02 -2.20 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 3hb3 s ILE 185 CO 0.06 -0.62 0.71 -2.65 -1.23 0.00 0.00 174.94 171.21 3hb3 n PRO 186 N 4.53 -0.15 0.06 2.79 -0.02 -1.26 -0.94 135.00 140.02 3hb3 n PRO 186 Ca 0.01 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 3hb3 n PRO 186 Cb 0.42 -1.03 0.16 0.00 -0.02 0.00 0.00 33.50 33.03 3hb3 n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hb3 n ALA 187 N -3.20 0.74 0.15 3.55 0.00 -1.26 -0.73 120.51 119.76 3hb3 n ALA 187 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.52 3hb3 n ALA 187 Cb 0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3hb3 n ALA 187 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hb3 n PHE 188 N -1.63 0.00 -3.37 0.00 3.72 -0.12 -1.36 117.46 114.70 3hb3 n PHE 188 Ca -0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3hb3 n PHE 188 Cb 0.17 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 3hb3 n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hb3 n ALA 189 N -0.73 -1.86 -2.61 4.37 0.00 0.09 -4.17 120.51 115.60 3hb3 n ALA 189 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 3hb3 n ALA 189 Cb 0.06 -2.55 -0.12 0.00 0.00 0.00 0.00 19.45 16.85 3hb3 n ALA 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hb3 s VAL 190 N -3.34 1.24 -0.28 0.00 -7.23 -1.24 -4.90 120.40 104.66 3hb3 s VAL 190 Ca 0.04 -1.47 -0.19 0.00 -1.81 0.00 0.00 61.98 58.55 3hb3 s VAL 190 Cb -0.02 -1.28 0.09 0.00 0.56 0.00 0.00 36.38 35.73 3hb3 s VAL 190 CO 0.69 -0.28 0.74 -0.75 -0.31 0.00 0.00 175.10 175.20 3hb3 s LYS 191 N -2.08 0.71 -0.04 4.82 2.20 -1.25 -2.71 119.74 121.39 3hb3 s LYS 191 Ca 0.03 1.08 -0.18 0.00 -0.36 0.00 0.00 55.97 56.53 3hb3 s LYS 191 Cb -0.08 0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 3hb3 s LYS 191 CO 0.03 -0.12 0.40 -1.14 -0.36 0.00 0.00 175.35 174.15 3hb3 s GLN 192 N 1.18 0.73 0.19 4.03 2.00 0.46 -4.97 119.66 123.28 3hb3 s GLN 192 Ca -0.06 0.00 -0.26 0.00 -2.00 0.00 0.00 55.36 53.03 3hb3 s GLN 192 Cb -0.05 0.33 -0.08 0.00 0.80 0.00 0.00 33.01 34.01 3hb3 s GLN 192 CO -0.13 -0.20 0.82 -0.51 -0.50 0.00 0.00 175.29 174.77 3hb3 s ASP 193 N -1.10 7.45 -0.61 6.67 1.11 -1.26 -0.86 116.67 128.06 3hb3 s ASP 193 Ca -0.11 1.72 -0.18 0.00 0.18 0.00 0.00 52.55 54.16 3hb3 s ASP 193 Cb -0.04 -2.53 0.12 0.00 1.07 0.00 0.00 42.92 41.54 3hb3 s ASP 193 CO 0.05 0.19 0.69 0.00 1.18 0.00 0.00 175.17 177.28 3hb3 s ALA 194 N -1.17 3.50 -0.11 5.23 0.00 0.14 -4.80 121.76 124.55 3hb3 s ALA 194 Ca 0.37 -2.38 0.01 0.00 0.00 0.00 0.00 51.96 49.96 3hb3 s ALA 194 Cb -0.24 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3hb3 s ALA 194 CO 0.28 -2.31 -0.14 0.08 0.00 0.00 0.00 175.76 173.66 3hb3 s VAL 195 N 2.31 2.95 0.23 0.00 1.01 -1.26 -1.38 120.40 124.27 3hb3 s VAL 195 Ca 0.11 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 3hb3 s VAL 195 Cb -0.24 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.81 3hb3 s VAL 195 CO 0.04 0.54 1.68 -2.84 0.00 0.00 0.00 175.10 174.52 3hb3 s PRO 196 N 0.16 4.12 0.00 2.72 0.02 -1.25 -2.53 135.00 138.25 3hb3 s PRO 196 Ca -0.08 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3hb3 s PRO 196 Cb -0.15 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3hb3 s PRO 196 CO 0.05 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 3hb3 n GLY 197 N 3.46 0.76 3.32 0.52 0.00 -1.26 -5.00 105.19 106.99 3hb3 n GLY 197 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3hb3 n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hb3 s ARG 198 N -0.84 0.55 -0.13 1.61 0.52 -1.05 -5.13 118.95 114.48 3hb3 s ARG 198 Ca 0.00 0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.68 3hb3 s ARG 198 Cb 0.00 0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.71 3hb3 s ARG 198 CO 0.00 -0.09 -0.09 0.42 0.02 0.00 0.00 175.30 175.56 3hb3 s ILE 199 N -0.04 3.45 0.20 1.52 1.01 -1.26 -4.42 121.20 121.66 3hb3 s ILE 199 Ca -0.02 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.18 3hb3 s ILE 199 Cb -0.03 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3hb3 s ILE 199 CO 0.01 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.32 3hb3 s ALA 200 N 0.17 2.04 0.17 9.38 0.00 -0.77 -4.88 121.76 127.87 3hb3 s ALA 200 Ca -0.05 -1.62 0.09 0.00 0.00 0.00 0.00 51.96 50.39 3hb3 s ALA 200 Cb -0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3hb3 s ALA 200 CO 0.04 0.12 -0.19 -0.65 0.00 0.00 0.00 175.76 175.08 3hb3 s GLN 201 N -3.38 1.33 0.11 0.00 -0.21 -1.26 0.36 119.66 116.61 3hb3 s GLN 201 Ca 0.21 -1.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.08 3hb3 s GLN 201 Cb -0.02 -1.42 -0.02 0.00 1.00 0.00 0.00 33.01 32.55 3hb3 s GLN 201 CO 0.07 0.29 0.17 -0.48 -2.12 0.00 0.00 175.29 173.22 3hb3 s LEU 202 N -2.70 1.48 0.11 2.90 0.05 -0.88 -5.01 118.68 114.63 3hb3 s LEU 202 Ca 0.17 -0.86 -0.02 0.00 0.05 0.00 0.00 54.13 53.47 3hb3 s LEU 202 Cb -0.06 0.85 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 3hb3 s LEU 202 CO 0.07 -0.77 0.05 -1.66 -0.55 0.00 0.00 176.35 173.50 3hb3 s TRP 203 N -3.93 0.75 0.24 3.48 1.48 -1.26 -1.39 118.94 118.31 3hb3 s TRP 203 Ca 0.12 -1.16 -0.21 0.00 -1.06 0.00 0.00 56.10 53.79 3hb3 s TRP 203 Cb 0.05 -0.43 0.06 0.00 -1.16 0.00 0.00 33.47 31.99 3hb3 s TRP 203 CO -0.05 -0.50 0.91 -0.59 -4.06 0.00 0.00 176.95 172.66 3hb3 s PHE 204 N -4.01 -0.01 -0.05 1.66 -0.12 -0.73 -4.97 117.98 109.75 3hb3 s PHE 204 Ca 0.20 -0.44 -0.14 0.00 -0.05 0.00 0.00 56.93 56.50 3hb3 s PHE 204 Cb 0.07 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 43.21 3hb3 s PHE 204 CO -0.01 -1.10 0.32 -1.54 -0.05 0.00 0.00 175.22 172.83 3hb3 s SER 205 N -3.12 -0.24 -0.08 1.98 1.04 -1.26 -1.27 113.70 110.74 3hb3 s SER 205 Ca 0.16 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3hb3 s SER 205 Cb -0.03 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3hb3 s SER 205 CO 0.06 -0.34 -0.07 -0.69 0.98 0.00 0.00 173.24 173.18 3hb3 s VAL 206 N -0.82 3.66 0.02 5.02 1.01 -1.26 -4.22 120.40 123.81 3hb3 s VAL 206 Ca -0.09 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3hb3 s VAL 206 Cb -0.04 -2.50 -0.21 0.00 0.00 0.00 0.00 36.38 33.63 3hb3 s VAL 206 CO 0.03 0.58 0.96 0.44 0.00 0.00 0.00 175.10 177.12 3hb3 h ASP 207 N 5.46 0.00 -5.36 3.32 3.32 -1.28 0.76 116.42 122.65 3hb3 h ASP 207 Ca -0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 3hb3 h ASP 207 Cb 1.18 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 3hb3 h ASP 207 CO 0.53 0.96 -0.39 0.00 -1.72 0.00 0.00 179.24 178.62 3hb3 s GLN 208 N -2.68 1.22 0.05 3.56 -2.07 -1.26 -4.78 119.66 113.70 3hb3 s GLN 208 Ca -0.02 -1.34 -0.29 0.00 -1.82 0.00 0.00 55.36 51.89 3hb3 s GLN 208 Cb 0.09 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 3hb3 s GLN 208 CO 0.82 -0.44 0.94 -1.21 -1.32 0.00 0.00 175.29 174.07 3hb3 s GLU 209 N -4.04 4.61 0.00 9.60 2.02 -1.26 -4.81 118.70 124.82 3hb3 s GLU 209 Ca 0.25 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.61 3hb3 s GLU 209 Cb 0.04 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.85 3hb3 s GLU 209 CO 0.05 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.84 3hb3 n GLY 210 N 2.59 -0.59 3.59 -1.39 0.00 -1.10 -4.58 105.19 103.71 3hb3 n GLY 210 Ca 0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3hb3 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb3 s VAL 211 N -3.00 3.58 -0.02 1.61 1.01 0.97 -2.17 120.40 122.37 3hb3 s VAL 211 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3hb3 s VAL 211 Cb 0.00 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.81 3hb3 s VAL 211 CO 0.00 0.30 0.03 -0.31 0.00 0.00 0.00 175.10 175.12 3hb3 s TYR 212 N -1.08 0.08 0.10 5.22 2.02 -0.54 0.44 117.35 123.59 3hb3 s TYR 212 Ca 0.19 0.13 0.09 0.00 -0.37 0.00 0.00 57.07 57.10 3hb3 s TYR 212 Cb -0.11 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 3hb3 s TYR 212 CO 0.10 -0.11 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.72 3hb3 s PHE 213 N 1.24 2.53 0.16 2.71 0.08 -0.47 -0.09 117.98 124.14 3hb3 s PHE 213 Ca -0.07 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 3hb3 s PHE 213 Cb -0.13 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 3hb3 s PHE 213 CO -0.03 0.35 0.08 0.20 -0.10 0.00 0.00 175.22 175.72 3hb3 s GLY 214 N -1.95 1.19 0.02 4.36 0.00 -0.81 -4.32 107.32 105.81 3hb3 s GLY 214 Ca 0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 3hb3 s GLY 214 CO 0.09 -1.40 0.04 1.20 0.00 0.00 0.00 173.10 173.02 3hb3 s GLN 215 N -4.07 0.39 0.48 2.90 -0.21 -1.26 -2.13 119.66 115.76 3hb3 s GLN 215 Ca 0.30 -0.55 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 3hb3 s GLN 215 Cb 0.07 0.15 -0.07 0.00 1.00 0.00 0.00 33.01 34.16 3hb3 s GLN 215 CO 0.06 -0.08 1.20 0.00 -2.12 0.00 0.00 175.29 174.35 3hb3 n SER 217 N -0.60 1.12 -3.94 0.00 7.64 -0.98 -4.88 113.62 111.97 3hb3 n SER 217 Ca 0.08 -1.93 -0.23 0.00 1.01 0.00 0.00 58.87 57.80 3hb3 n SER 217 Cb 0.47 -0.12 -0.17 0.00 -1.01 0.00 0.00 64.21 63.38 3hb3 n SER 217 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3hb3 s GLU 218 N -0.91 1.24 -0.18 1.43 2.56 -1.26 -4.65 118.70 116.94 3hb3 s GLU 218 Ca 0.07 -0.23 -0.35 0.00 0.00 0.00 0.00 54.97 54.45 3hb3 s GLU 218 Cb 0.06 -1.16 -0.12 0.00 2.00 0.00 0.00 34.13 34.90 3hb3 s GLU 218 CO 0.01 -0.08 1.92 -0.11 -0.56 0.00 0.00 175.26 176.44 3hb3 n LEU 219 N 4.14 3.03 -0.45 2.70 7.94 -1.26 -4.55 117.00 128.55 3hb3 n LEU 219 Ca -0.21 0.88 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 3hb3 n LEU 219 Cb 0.51 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.15 3hb3 n LEU 219 CO 0.22 -0.26 0.25 0.00 -1.11 0.00 0.00 177.39 176.49 3hb3 n GLY 221 N 0.00 -0.06 0.29 0.00 0.00 -1.26 -4.70 105.19 99.46 3hb3 n GLY 221 Ca 0.00 -2.17 0.14 0.00 0.00 0.00 0.00 46.02 43.98 3hb3 n GLY 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hb3 h ILE 222 N 0.00 0.64 -0.07 -0.61 2.10 -2.03 -2.50 117.51 115.04 3hb3 h ILE 222 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hb3 h ILE 222 Cb 0.00 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3hb3 h ILE 222 CO 0.00 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.66 3hb3 n ASN 223 N -4.01 2.39 -0.12 2.19 4.13 -1.26 -4.65 115.26 113.92 3hb3 n ASN 223 Ca -0.03 -2.39 -0.01 0.00 1.68 0.00 0.00 54.58 53.84 3hb3 n ASN 223 Cb 0.10 -0.20 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 3hb3 n ASN 223 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3hb3 n HIS 224 N -0.61 -0.01 1.14 3.10 -0.00 -0.94 0.14 115.22 118.04 3hb3 n HIS 224 Ca 0.08 0.39 0.08 0.00 -0.00 0.00 0.00 57.72 58.27 3hb3 n HIS 224 Cb 0.44 -0.61 0.47 0.00 -0.00 0.00 0.00 29.99 30.29 3hb3 n HIS 224 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hb3 n ALA 225 N -3.82 2.16 -3.12 1.57 0.00 -1.26 -4.39 120.51 111.65 3hb3 n ALA 225 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 3hb3 n ALA 225 Cb 0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 3hb3 n ALA 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hb3 n TYR 226 N -0.93 1.45 -2.67 0.00 4.01 0.36 -4.87 117.16 114.51 3hb3 n TYR 226 Ca 0.12 -3.87 -0.05 0.00 -0.16 0.00 0.00 57.90 53.94 3hb3 n TYR 226 Cb 0.05 -0.44 0.04 0.00 -0.31 0.00 0.00 39.34 38.68 3hb3 n TYR 226 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 3hb3 n MET 227 N 0.20 0.43 0.00 -0.72 0.00 -1.26 -4.56 117.12 111.21 3hb3 n MET 227 Ca 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.97 3hb3 n MET 227 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 33.22 33.69 3hb3 n MET 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3hb3 n PRO 228 N -0.34 -0.68 -3.68 2.12 -0.04 -1.26 -3.79 135.00 127.33 3hb3 n PRO 228 Ca -0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 3hb3 n PRO 228 Cb 0.71 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.04 3hb3 n PRO 228 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hb3 s ILE 229 N -0.89 -0.34 -0.04 0.52 1.01 -0.90 -4.72 121.20 115.84 3hb3 s ILE 229 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.94 3hb3 s ILE 229 Cb 0.00 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 3hb3 s ILE 229 CO 0.00 0.09 -0.25 -0.69 0.00 0.00 0.00 174.94 174.09 3hb3 s VAL 230 N 2.12 2.00 -0.13 2.92 1.01 -1.26 -1.92 120.40 125.13 3hb3 s VAL 230 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3hb3 s VAL 230 Cb -0.11 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.60 3hb3 s VAL 230 CO -0.10 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.72 3hb3 s VAL 231 N -0.31 1.60 0.02 2.92 1.01 0.87 -1.79 120.40 124.71 3hb3 s VAL 231 Ca 0.01 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3hb3 s VAL 231 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3hb3 s VAL 231 CO 0.02 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.90 3hb3 s LYS 232 N 1.23 2.27 -0.01 2.72 1.02 0.55 -1.46 119.74 126.06 3hb3 s LYS 232 Ca -0.00 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.16 3hb3 s LYS 232 Cb -0.14 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 3hb3 s LYS 232 CO -0.07 0.57 -0.13 0.00 -0.92 0.00 0.00 175.35 174.80 3hb3 s ALA 233 N -0.93 1.12 0.03 5.17 0.00 -0.92 -1.08 121.76 125.15 3hb3 s ALA 233 Ca 0.15 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 3hb3 s ALA 233 Cb -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3hb3 s ALA 233 CO 0.06 0.27 0.16 0.14 0.00 0.00 0.00 175.76 176.39 3hb3 s VAL 234 N -0.33 0.11 0.65 0.00 -7.23 0.13 -2.71 120.40 111.01 3hb3 s VAL 234 Ca 0.05 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 3hb3 s VAL 234 Cb -0.05 -0.80 -0.12 0.00 0.56 0.00 0.00 36.38 35.97 3hb3 s VAL 234 CO -0.00 -0.49 -0.45 -1.54 -0.31 0.00 0.00 175.10 172.31 3hb3 n SER 235 N 0.88 -4.08 0.19 4.85 3.41 -1.26 -1.23 113.62 116.38 3hb3 n SER 235 Ca -0.20 0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.72 3hb3 n SER 235 Cb 0.58 -0.62 0.39 0.00 -0.26 0.00 0.00 64.21 64.31 3hb3 n SER 235 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3hb3 h GLN 236 N -0.51 0.00 0.09 4.33 5.75 -1.96 0.12 115.11 122.94 3hb3 h GLN 236 Ca -0.33 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.16 3hb3 h GLN 236 Cb 1.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.60 3hb3 h GLN 236 CO 0.23 0.35 -0.04 1.49 -2.65 0.00 0.00 178.83 178.21 3hb3 h GLU 237 N 0.00 -0.12 -0.42 1.69 4.81 -1.99 -0.39 114.58 118.16 3hb3 h GLU 237 Ca -0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3hb3 h GLU 237 Cb 0.68 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3hb3 h GLU 237 CO 0.05 -0.08 -0.25 1.63 -0.73 0.00 0.00 179.01 179.63 3hb3 n LYS 238 N -2.40 -0.19 -0.31 1.92 5.02 -1.23 -1.03 118.16 119.93 3hb3 n LYS 238 Ca -0.02 0.64 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 3hb3 n LYS 238 Cb 0.05 -0.94 0.24 0.00 -0.02 0.00 0.00 35.03 34.36 3hb3 n LYS 238 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3hb3 h TYR 239 N 0.00 1.06 -0.49 2.13 3.20 -0.59 -1.04 116.97 121.23 3hb3 h TYR 239 Ca 0.07 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 3hb3 h TYR 239 Cb 0.17 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3hb3 h TYR 239 CO -0.44 0.53 -0.19 0.93 -1.64 0.00 0.00 178.16 177.35 3hb3 h GLU 240 N 1.02 0.99 0.67 1.82 5.08 0.66 0.78 114.58 125.60 3hb3 h GLU 240 Ca 0.41 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hb3 h GLU 240 Cb 0.25 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hb3 h GLU 240 CO -0.16 1.08 -0.32 0.00 -1.00 0.00 0.00 179.01 178.61 3hb3 h ALA 241 N 0.91 -0.90 -0.69 3.43 0.00 -0.78 -1.85 119.26 119.39 3hb3 h ALA 241 Ca 0.12 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3hb3 h ALA 241 Cb 0.76 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 3hb3 h ALA 241 CO 0.06 -0.97 0.12 2.35 0.00 0.00 0.00 179.25 180.81 3hb3 h TRP 242 N -0.97 0.17 -0.01 0.00 7.01 -1.24 -1.19 115.95 119.72 3hb3 h TRP 242 Ca -0.09 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.81 3hb3 h TRP 242 Cb 0.71 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 3hb3 h TRP 242 CO -0.02 -0.11 -0.66 1.25 -2.79 0.00 0.00 178.44 176.12 3hb3 h LEU 243 N 0.22 0.06 0.86 0.65 5.85 -0.58 -1.84 115.31 120.53 3hb3 h LEU 243 Ca 0.38 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 3hb3 h LEU 243 Cb 0.63 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.65 3hb3 h LEU 243 CO -0.51 0.70 -0.41 0.00 -0.34 0.00 0.00 178.44 177.87 3hb3 h ALA 244 N 1.30 -1.15 -0.53 1.25 0.00 -0.43 -0.68 119.26 119.01 3hb3 h ALA 244 Ca -0.01 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hb3 h ALA 244 Cb 1.16 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 3hb3 h ALA 244 CO 0.09 -1.08 -0.18 0.41 0.00 0.00 0.00 179.25 178.49 3hb3 n GLY 245 N -1.17 -1.03 0.16 0.00 0.00 -0.55 -2.16 105.19 100.45 3hb3 n GLY 245 Ca -0.14 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3hb3 n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb3 h ALA 246 N 0.86 0.75 0.00 4.61 0.00 -0.91 0.69 119.26 125.26 3hb3 h ALA 246 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hb3 h ALA 246 Cb 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hb3 h ALA 246 CO -0.54 0.30 -0.32 0.87 0.00 0.00 0.00 179.25 179.56 3hb3 h LYS 247 N 0.00 0.00 0.00 0.00 1.57 -0.61 0.38 116.57 117.91 3hb3 h LYS 247 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hb3 h LYS 247 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hb3 h LYS 247 CO 0.02 0.32 -0.20 0.93 -0.57 0.00 0.00 179.45 179.95 3hb3 h GLU 248 N 0.00 0.00 -1.28 3.15 4.39 -1.32 -3.21 114.58 116.30 3hb3 h GLU 248 Ca -0.00 0.00 0.37 0.00 0.34 0.00 0.00 59.36 60.07 3hb3 h GLU 248 Cb 0.64 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 3hb3 h GLU 248 CO 0.04 0.00 0.89 1.49 -1.16 0.00 0.00 179.01 180.27 3hb3 h GLU 249 N -0.54 0.10 -0.52 2.33 4.81 -1.00 -2.88 114.58 116.88 3hb3 h GLU 249 Ca 0.00 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 3hb3 h GLU 249 Cb 0.20 -0.02 -0.40 0.00 0.63 0.00 0.00 28.75 29.16 3hb3 h GLU 249 CO 0.00 0.07 -0.99 1.19 -0.73 0.00 0.00 179.01 178.55 3hb3 n PHE 250 N -4.34 1.72 -1.69 0.92 3.72 0.12 -5.02 117.46 112.89 3hb3 n PHE 250 Ca 0.30 -2.08 -0.39 0.00 -0.05 0.00 0.00 57.45 55.23 3hb3 n PHE 250 Cb 1.29 -0.27 0.04 0.00 -0.94 0.00 0.00 39.48 39.60 3hb3 n PHE 250 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hb3 n ALA 251 N -0.61 1.06 1.40 4.37 0.00 -1.09 -2.36 120.51 123.29 3hb3 n ALA 251 Ca 0.21 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.92 3hb3 n ALA 251 Cb 0.87 -2.25 0.44 0.00 0.00 0.00 0.00 19.45 18.51 3hb3 n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50