#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bh3 s LYS 2 N 0.00 3.23 0.40 0.03 1.02 -1.26 -4.84 119.74 118.32 3bh3 s LYS 2 Ca 0.00 1.31 0.19 0.00 0.02 0.00 0.00 55.97 57.49 3bh3 s LYS 2 Cb 0.00 -2.01 1.13 0.00 -0.52 0.00 0.00 37.83 36.42 3bh3 s LYS 2 CO 0.00 -0.89 1.75 1.96 -0.92 0.00 0.00 175.35 177.25 3bh3 h GLN 3 N 0.52 0.36 -0.20 1.68 4.20 -2.06 -0.36 115.11 119.25 3bh3 h GLN 3 Ca -0.47 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.03 3bh3 h GLN 3 Cb 1.23 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 3bh3 h GLN 3 CO 0.57 0.24 -0.61 0.37 -0.67 0.00 0.00 178.83 178.73 3bh3 h GLN 4 N 0.37 0.68 0.00 1.46 5.75 -2.00 -2.84 115.11 118.52 3bh3 h GLN 4 Ca 0.62 -0.46 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3bh3 h GLN 4 Cb 1.60 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.20 3bh3 h GLN 4 CO -0.32 1.08 -0.36 0.93 -2.65 0.00 0.00 178.83 177.51 3bh3 h GLU 5 N 0.50 0.00 -0.04 1.69 5.08 -1.47 -2.48 114.58 117.87 3bh3 h GLU 5 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3bh3 h GLU 5 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3bh3 h GLU 5 CO 0.12 0.36 -0.02 0.28 -1.00 0.00 0.00 179.01 178.76 3bh3 h VAL 6 N 0.00 1.32 -0.60 3.13 2.07 -1.29 -0.19 116.25 120.68 3bh3 h VAL 6 Ca -0.00 -0.99 0.11 0.00 0.82 0.00 0.00 66.70 66.64 3bh3 h VAL 6 Cb 0.86 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 3bh3 h VAL 6 CO 0.05 0.27 0.17 -0.09 0.02 0.00 0.00 177.57 177.98 3bh3 h ARG 7 N -0.31 0.30 -0.15 1.57 2.43 -1.46 -0.25 114.38 116.51 3bh3 h ARG 7 Ca 0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3bh3 h ARG 7 Cb 0.44 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3bh3 h ARG 7 CO 0.01 0.20 -0.07 0.37 -1.51 0.00 0.00 179.97 178.96 3bh3 h GLN 8 N 0.31 0.32 0.00 0.20 4.15 -1.40 -3.30 115.11 115.39 3bh3 h GLN 8 Ca 0.31 -0.14 -0.18 0.00 0.77 0.00 0.00 58.65 59.41 3bh3 h GLN 8 Cb 0.44 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3bh3 h GLN 8 CO -0.37 0.64 -0.87 0.00 -1.93 0.00 0.00 178.83 176.30 3bh3 h ARG 9 N -0.01 0.00 -6.29 1.69 3.08 -0.90 -3.47 114.38 108.47 3bh3 h ARG 9 Ca 0.03 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.42 3bh3 h ARG 9 Cb 0.54 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.66 3bh3 h ARG 9 CO 0.02 0.87 0.38 0.00 -1.07 0.00 0.00 179.97 180.17 3bh3 n ALA 10 N -2.35 -0.91 0.14 0.04 0.00 -0.12 -4.84 120.51 112.48 3bh3 n ALA 10 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3bh3 n ALA 10 Cb 0.86 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3bh3 n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bh3 n PHE 11 N 2.12 -2.58 -3.94 0.00 -0.00 -1.26 -5.04 117.46 106.75 3bh3 n PHE 11 Ca 0.17 0.51 -0.09 0.00 -0.00 0.00 0.00 57.45 58.04 3bh3 n PHE 11 Cb 0.21 0.81 -0.09 0.00 -0.00 0.00 0.00 39.48 40.41 3bh3 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3bh3 s ALA 12 N -1.99 -0.03 0.41 3.13 0.00 -1.26 -5.13 121.76 116.89 3bh3 s ALA 12 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 3bh3 s ALA 12 Cb 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 23.12 23.29 3bh3 s ALA 12 CO 0.00 -0.34 0.98 -1.64 0.00 0.00 0.00 175.76 174.76 3bh3 s MET 13 N -2.84 4.25 0.32 0.00 -1.94 -1.26 -3.43 119.30 114.40 3bh3 s MET 13 Ca -0.03 1.26 -0.29 0.00 -1.71 0.00 0.00 55.69 54.93 3bh3 s MET 13 Cb 0.00 -2.37 -0.10 0.00 2.01 0.00 0.00 34.83 34.37 3bh3 s MET 13 CO -0.06 -0.03 1.19 -1.25 -0.01 0.00 0.00 175.02 174.87 3bh3 s PRO 14 N -2.81 4.44 0.21 2.03 0.04 -1.26 -0.98 135.00 136.67 3bh3 s PRO 14 Ca 0.59 1.98 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 3bh3 s PRO 14 Cb -0.14 -3.07 0.22 0.00 0.04 0.00 0.00 34.50 31.55 3bh3 s PRO 14 CO 0.19 -0.03 1.40 -0.11 0.04 0.00 0.00 177.00 178.49 3bh3 n LEU 15 N 0.87 -0.58 -0.06 -3.56 7.94 -1.22 -1.11 117.00 119.27 3bh3 n LEU 15 Ca 0.00 1.57 0.14 0.00 -1.11 0.00 0.00 56.01 56.61 3bh3 n LEU 15 Cb 0.44 -0.36 0.52 0.00 0.53 0.00 0.00 43.42 44.54 3bh3 n LEU 15 CO 0.56 -1.41 0.78 0.35 -1.11 0.00 0.00 177.39 176.56 3bh3 n THR 16 N -5.33 0.00 -2.85 1.96 -2.24 -1.26 -4.28 114.28 100.27 3bh3 n THR 16 Ca 0.09 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3bh3 n THR 16 Cb 0.36 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 3bh3 n THR 16 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bh3 n SER 17 N -1.22 -1.79 -4.67 3.42 2.88 -0.50 -5.15 113.62 106.59 3bh3 n SER 17 Ca 0.10 -3.37 -0.39 0.00 -1.33 0.00 0.00 58.87 53.89 3bh3 n SER 17 Cb 0.31 1.25 0.04 0.00 -0.75 0.00 0.00 64.21 65.06 3bh3 n SER 17 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bh3 n PRO 18 N 0.88 1.36 0.32 -1.46 -0.04 -0.27 -4.19 135.00 131.60 3bh3 n PRO 18 Ca 0.11 0.50 0.20 0.00 -0.04 0.00 0.00 63.50 64.28 3bh3 n PRO 18 Cb 0.65 -2.34 1.10 0.00 -0.04 0.00 0.00 33.50 32.87 3bh3 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bh3 h ALA 19 N 1.13 1.11 -2.48 0.55 0.00 -1.30 -3.42 119.26 114.85 3bh3 h ALA 19 Ca -0.49 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3bh3 h ALA 19 Cb 1.33 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.91 3bh3 h ALA 19 CO 0.55 0.01 -0.19 -0.59 0.00 0.00 0.00 179.25 179.03 3bh3 s PHE 20 N -4.20 -0.33 0.67 0.00 -0.12 -1.26 -4.45 117.98 108.29 3bh3 s PHE 20 Ca -0.04 0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 57.42 3bh3 s PHE 20 Cb 0.13 0.16 0.07 0.00 -0.63 0.00 0.00 43.02 42.75 3bh3 s PHE 20 CO 0.46 -0.39 0.95 -1.25 -0.05 0.00 0.00 175.22 174.94 3bh3 s PRO 21 N -0.92 2.15 0.84 1.99 0.04 -1.26 -4.84 135.00 133.00 3bh3 s PRO 21 Ca -0.10 -0.54 -0.12 0.00 0.04 0.00 0.00 61.00 60.28 3bh3 s PRO 21 Cb -0.04 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.33 3bh3 s PRO 21 CO 0.04 -1.16 1.13 -2.14 0.04 0.00 0.00 177.00 174.91 3bh3 s PRO 22 N -5.12 1.70 0.00 0.56 0.02 -1.26 -5.05 135.00 125.86 3bh3 s PRO 22 Ca 0.61 0.37 0.00 0.00 0.02 0.00 0.00 61.00 62.00 3bh3 s PRO 22 Cb -0.10 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3bh3 s PRO 22 CO 0.43 -1.83 0.00 0.41 -0.33 0.00 0.00 177.00 175.68 3bh3 n GLY 23 N -2.45 -0.64 3.77 0.52 0.00 -1.26 -4.86 105.19 100.27 3bh3 n GLY 23 Ca 0.07 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 3bh3 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bh3 s PRO 24 N 0.00 4.15 -0.64 1.61 0.04 -1.26 -5.11 135.00 133.79 3bh3 s PRO 24 Ca 0.00 2.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 3bh3 s PRO 24 Cb 0.00 -2.90 0.07 0.00 0.04 0.00 0.00 34.50 31.71 3bh3 s PRO 24 CO 0.00 -0.34 0.92 0.71 0.04 0.00 0.00 177.00 178.33 3bh3 s TYR 25 N -1.21 2.73 -0.18 0.56 2.02 -1.26 -4.89 117.35 115.11 3bh3 s TYR 25 Ca 0.53 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 56.58 3bh3 s TYR 25 Cb -0.38 -4.23 -0.04 0.00 -0.40 0.00 0.00 41.96 36.91 3bh3 s TYR 25 CO 0.50 -1.58 0.07 0.50 -1.57 0.00 0.00 175.55 173.48 3bh3 s ARG 26 N 3.85 4.01 -0.20 -0.62 6.06 -1.26 -1.07 118.95 129.72 3bh3 s ARG 26 Ca 0.21 -0.33 -0.02 0.00 -2.50 0.00 0.00 55.73 53.09 3bh3 s ARG 26 Cb -0.18 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.59 3bh3 s ARG 26 CO 0.10 0.28 -0.10 -0.06 -2.50 0.00 0.00 175.30 173.02 3bh3 s PHE 27 N 0.36 2.88 -0.15 5.12 0.08 0.74 -1.69 117.98 125.33 3bh3 s PHE 27 Ca 0.04 -1.13 -0.02 0.00 0.12 0.00 0.00 56.93 55.93 3bh3 s PHE 27 Cb -0.12 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3bh3 s PHE 27 CO -0.00 -0.59 -0.08 0.08 -0.10 0.00 0.00 175.22 174.52 3bh3 s VAL 28 N 1.29 3.48 -1.35 -0.44 1.01 -0.25 -0.47 120.40 123.66 3bh3 s VAL 28 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3bh3 s VAL 28 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3bh3 s VAL 28 CO -0.05 0.50 0.64 0.59 0.00 0.00 0.00 175.10 176.78 3bh3 n ASN 29 N 3.59 -1.15 -4.76 3.32 3.02 -1.10 -3.86 115.26 114.32 3bh3 n ASN 29 Ca -0.18 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.10 3bh3 n ASN 29 Cb 0.52 -3.76 -0.04 0.00 -0.61 0.00 0.00 39.78 35.90 3bh3 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bh3 s ARG 30 N -6.19 4.54 -0.14 3.52 1.70 -0.09 -4.43 118.95 117.86 3bh3 s ARG 30 Ca 0.05 1.95 0.02 0.00 -0.47 0.00 0.00 55.73 57.27 3bh3 s ARG 30 Cb -0.03 -3.15 0.02 0.00 -0.57 0.00 0.00 34.95 31.22 3bh3 s ARG 30 CO 0.84 0.07 -0.18 -2.00 -1.08 0.00 0.00 175.30 172.95 3bh3 s GLU 31 N -1.56 2.60 -0.11 3.89 2.12 0.13 -1.49 118.70 124.27 3bh3 s GLU 31 Ca 0.46 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 3bh3 s GLU 31 Cb -0.35 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 3bh3 s GLU 31 CO 0.45 -0.11 -0.07 0.71 -0.54 0.00 0.00 175.26 175.70 3bh3 s TYR 32 N 1.09 2.94 -0.24 5.30 1.51 -0.08 -0.89 117.35 126.97 3bh3 s TYR 32 Ca -0.02 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 3bh3 s TYR 32 Cb -0.14 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3bh3 s TYR 32 CO -0.05 0.08 -0.02 1.41 -1.11 0.00 0.00 175.55 175.86 3bh3 s MET 33 N -0.14 3.21 -0.19 -0.62 1.75 -0.09 -1.82 119.30 121.40 3bh3 s MET 33 Ca 0.01 -0.74 -0.01 0.00 -1.25 0.00 0.00 55.69 53.71 3bh3 s MET 33 Cb -0.13 -3.09 0.01 0.00 2.84 0.00 0.00 34.83 34.46 3bh3 s MET 33 CO 0.03 -0.29 -0.15 0.42 -0.65 0.00 0.00 175.02 174.38 3bh3 s ILE 34 N 1.45 2.54 -0.28 10.11 1.01 -0.28 -0.79 121.20 134.96 3bh3 s ILE 34 Ca 0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3bh3 s ILE 34 Cb -0.15 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 3bh3 s ILE 34 CO -0.02 0.50 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 3bh3 s ILE 35 N 1.27 4.17 -0.18 2.92 1.01 0.71 -1.58 121.20 129.51 3bh3 s ILE 35 Ca 0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3bh3 s ILE 35 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3bh3 s ILE 35 CO -0.08 0.16 0.43 -0.89 0.00 0.00 0.00 174.94 174.55 3bh3 s THR 36 N 1.55 5.19 0.04 2.92 2.01 -0.22 -0.34 115.64 126.80 3bh3 s THR 36 Ca 0.04 0.79 0.04 0.00 0.31 0.00 0.00 61.69 62.87 3bh3 s THR 36 Cb -0.16 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3bh3 s THR 36 CO 0.03 0.26 -0.12 -0.72 -0.69 0.00 0.00 174.62 173.39 3bh3 s TYR 37 N 1.17 1.03 0.05 4.92 -0.85 0.59 0.11 117.35 124.37 3bh3 s TYR 37 Ca 0.21 -0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 56.10 3bh3 s TYR 37 Cb -0.15 -0.60 -0.05 0.00 0.38 0.00 0.00 41.96 41.54 3bh3 s TYR 37 CO 0.08 0.01 0.88 0.50 -1.52 0.00 0.00 175.55 175.51 3bh3 s ARG 38 N -1.25 4.59 0.47 -3.49 3.52 0.67 -0.27 118.95 123.18 3bh3 s ARG 38 Ca -0.02 1.28 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 3bh3 s ARG 38 Cb -0.08 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3bh3 s ARG 38 CO 0.01 0.17 0.06 -0.08 -0.81 0.00 0.00 175.30 174.64 3bh3 s THR 39 N 0.27 0.91 -0.09 4.11 -1.32 -0.05 -1.94 115.64 117.52 3bh3 s THR 39 Ca 0.45 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.63 3bh3 s THR 39 Cb -0.21 -2.23 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 3bh3 s THR 39 CO 0.26 0.00 1.66 -0.62 -2.21 0.00 0.00 174.62 173.71 3bh3 s ASP 40 N -3.77 6.59 0.44 8.08 3.68 -1.26 -4.82 116.67 125.62 3bh3 s ASP 40 Ca 0.13 2.12 0.13 0.00 2.13 0.00 0.00 52.55 57.05 3bh3 s ASP 40 Cb 0.02 -2.53 1.03 0.00 -1.45 0.00 0.00 42.92 39.99 3bh3 s ASP 40 CO 0.08 -1.01 2.03 1.55 0.13 0.00 0.00 175.17 177.96 3bh3 h PRO 41 N 9.86 0.36 -0.22 4.34 0.13 -1.99 -1.52 132.00 142.96 3bh3 h PRO 41 Ca -0.38 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3bh3 h PRO 41 Cb 1.17 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3bh3 h PRO 41 CO 0.96 0.24 0.17 0.00 -0.23 0.00 0.00 178.00 179.14 3bh3 h ALA 42 N 1.76 2.13 0.01 -0.56 0.00 -2.00 -2.36 119.26 118.24 3bh3 h ALA 42 Ca 0.19 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 3bh3 h ALA 42 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3bh3 h ALA 42 CO -0.04 -0.29 -1.13 0.00 0.00 0.00 0.00 179.25 177.79 3bh3 h ALA 43 N 1.87 0.39 0.11 0.00 0.00 -1.62 -2.97 119.26 117.04 3bh3 h ALA 43 Ca 0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 3bh3 h ALA 43 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bh3 h ALA 43 CO -0.00 1.27 -0.06 0.82 0.00 0.00 0.00 179.25 181.29 3bh3 h ILE 44 N 0.01 1.08 -1.04 0.00 2.04 -1.50 -3.26 117.51 114.84 3bh3 h ILE 44 Ca -0.06 -0.97 0.27 0.00 1.00 0.00 0.00 64.86 65.09 3bh3 h ILE 44 Cb 1.82 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 39.48 3bh3 h ILE 44 CO 0.13 0.23 0.66 -0.33 0.00 0.00 0.00 178.15 178.83 3bh3 h GLU 45 N -0.62 0.42 0.00 2.37 5.08 -1.52 -0.34 114.58 119.97 3bh3 h GLU 45 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bh3 h GLU 45 Cb 0.49 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3bh3 h GLU 45 CO 0.03 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 3bh3 n ALA 46 N -2.43 1.72 -0.04 3.43 0.00 -1.12 -3.35 120.51 118.71 3bh3 n ALA 46 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3bh3 n ALA 46 Cb 0.86 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3bh3 n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3bh3 n VAL 47 N -2.16 0.00 -2.94 0.00 0.24 -0.22 -5.03 118.33 108.22 3bh3 n VAL 47 Ca 0.03 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 3bh3 n VAL 47 Cb 0.24 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 3bh3 n VAL 47 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3bh3 s LEU 48 N -1.09 4.08 -0.32 1.34 2.96 -0.68 -5.02 118.68 119.94 3bh3 s LEU 48 Ca 0.00 0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 54.52 3bh3 s LEU 48 Cb 0.00 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.59 3bh3 s LEU 48 CO 0.00 -0.54 0.78 -2.16 -1.32 0.00 0.00 176.35 173.11 3bh3 s PRO 49 N 2.86 3.91 0.69 0.98 0.04 -1.26 -4.98 135.00 137.24 3bh3 s PRO 49 Ca 0.33 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.71 3bh3 s PRO 49 Cb -0.15 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.65 3bh3 s PRO 49 CO 0.10 -0.72 1.24 0.39 0.04 0.00 0.00 177.00 178.05 3bh3 n GLU 50 N 6.25 0.86 0.00 4.56 1.02 -1.26 -2.15 120.64 129.92 3bh3 n GLU 50 Ca 0.03 0.35 0.05 0.00 -0.02 0.00 0.00 57.16 57.58 3bh3 n GLU 50 Cb 0.48 -2.48 0.28 0.00 -0.02 0.00 0.00 31.44 29.70 3bh3 n GLU 50 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3bh3 n PRO 51 N -2.19 0.59 -2.18 3.49 -0.04 -1.26 -5.10 135.00 128.30 3bh3 n PRO 51 Ca 0.15 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 3bh3 n PRO 51 Cb 0.49 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 3bh3 n PRO 51 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bh3 s LEU 52 N -1.50 4.41 -0.10 1.53 1.02 -0.92 -4.73 118.68 118.38 3bh3 s LEU 52 Ca 0.14 2.44 -0.02 0.00 0.02 0.00 0.00 54.13 56.71 3bh3 s LEU 52 Cb 0.07 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 3bh3 s LEU 52 CO 0.11 -0.56 -0.02 -1.10 0.02 0.00 0.00 176.35 174.80 3bh3 s GLN 53 N -0.07 3.12 0.71 1.70 -1.52 0.19 -4.80 119.66 118.99 3bh3 s GLN 53 Ca 0.58 -0.46 -0.16 0.00 -1.95 0.00 0.00 55.36 53.37 3bh3 s GLN 53 Cb -0.37 -2.79 0.03 0.00 -0.22 0.00 0.00 33.01 29.66 3bh3 s GLN 53 CO 0.38 0.58 1.24 1.41 -0.25 0.00 0.00 175.29 178.65 3bh3 s MET 54 N -0.55 2.19 0.00 2.91 0.00 -1.26 -0.62 119.30 121.97 3bh3 s MET 54 Ca 0.09 1.89 0.00 0.00 0.00 0.00 0.00 55.69 57.66 3bh3 s MET 54 Cb -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 34.83 32.89 3bh3 s MET 54 CO 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 175.02 173.21 3bh3 n ALA 55 N -2.52 0.00 -1.72 4.11 0.00 -1.23 -4.56 120.51 114.59 3bh3 n ALA 55 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 3bh3 n ALA 55 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 3bh3 n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bh3 n GLU 56 N 0.00 2.31 -0.75 0.00 4.71 -1.26 -4.84 120.64 120.81 3bh3 n GLU 56 Ca 0.00 0.81 -0.18 0.00 -0.01 0.00 0.00 57.16 57.79 3bh3 n GLU 56 Cb 0.00 -2.45 -0.06 0.00 -1.01 0.00 0.00 31.44 27.92 3bh3 n GLU 56 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3bh3 n PRO 57 N 0.70 1.90 -4.37 3.49 -0.04 -1.26 -4.73 135.00 130.70 3bh3 n PRO 57 Ca 0.04 -1.18 -0.27 0.00 -0.04 0.00 0.00 63.50 62.05 3bh3 n PRO 57 Cb 0.37 -2.22 -0.12 0.00 -0.04 0.00 0.00 33.50 31.48 3bh3 n PRO 57 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bh3 s VAL 58 N 2.58 2.11 -0.07 0.52 -7.23 -1.26 -0.87 120.40 116.18 3bh3 s VAL 58 Ca 0.44 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 3bh3 s VAL 58 Cb 0.15 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3bh3 s VAL 58 CO -0.02 -0.03 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.80 3bh3 s VAL 59 N -1.32 2.10 -0.40 1.32 1.01 0.63 -4.21 120.40 119.53 3bh3 s VAL 59 Ca 0.14 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3bh3 s VAL 59 Cb -0.09 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3bh3 s VAL 59 CO 0.07 0.57 0.31 -0.13 0.00 0.00 0.00 175.10 175.91 3bh3 s ARG 60 N -0.08 3.08 -0.25 2.72 0.52 0.75 -0.30 118.95 125.39 3bh3 s ARG 60 Ca -0.06 -0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 54.12 3bh3 s ARG 60 Cb -0.14 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.33 3bh3 s ARG 60 CO 0.05 -0.70 0.20 -0.47 0.02 0.00 0.00 175.30 174.39 3bh3 s TYR 61 N 1.74 3.29 0.04 -0.53 6.14 0.54 -1.56 117.35 127.01 3bh3 s TYR 61 Ca 0.06 0.23 0.09 0.00 0.64 0.00 0.00 57.07 58.09 3bh3 s TYR 61 Cb -0.18 -2.34 -0.03 0.00 0.42 0.00 0.00 41.96 39.83 3bh3 s TYR 61 CO 0.10 -0.03 -0.25 -1.83 0.64 0.00 0.00 175.55 174.19 3bh3 s GLU 62 N 1.35 1.84 -0.14 4.97 -1.05 0.23 -0.21 118.70 125.70 3bh3 s GLU 62 Ca 0.09 -1.09 0.02 0.00 -0.15 0.00 0.00 54.97 53.83 3bh3 s GLU 62 Cb -0.14 -2.01 0.01 0.00 -0.44 0.00 0.00 34.13 31.55 3bh3 s GLU 62 CO 0.07 0.52 -0.18 -0.06 0.95 0.00 0.00 175.26 176.56 3bh3 s PHE 63 N -0.83 2.38 -0.10 4.83 0.08 0.03 -1.14 117.98 123.22 3bh3 s PHE 63 Ca 0.12 -1.23 0.01 0.00 0.12 0.00 0.00 56.93 55.95 3bh3 s PHE 63 Cb -0.10 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 3bh3 s PHE 63 CO 0.03 -0.61 -0.12 0.42 -0.10 0.00 0.00 175.22 174.83 3bh3 s ILE 64 N 1.05 1.29 -0.08 0.64 1.01 0.13 -0.91 121.20 124.33 3bh3 s ILE 64 Ca -0.03 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 3bh3 s ILE 64 Cb -0.14 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3bh3 s ILE 64 CO -0.05 0.40 0.62 -0.13 0.00 0.00 0.00 174.94 175.78 3bh3 s ARG 65 N 1.11 4.40 -0.60 2.79 1.81 -0.07 0.31 118.95 128.70 3bh3 s ARG 65 Ca -0.05 0.73 0.05 0.00 -1.72 0.00 0.00 55.73 54.74 3bh3 s ARG 65 Cb -0.14 -3.43 0.17 0.00 -0.45 0.00 0.00 34.95 31.09 3bh3 s ARG 65 CO -0.02 0.12 0.43 -1.64 -0.68 0.00 0.00 175.30 173.51 3bh3 s MET 66 N 0.66 1.94 0.24 3.54 -1.94 0.56 -0.70 119.30 123.62 3bh3 s MET 66 Ca 0.33 -2.91 0.25 0.00 -1.71 0.00 0.00 55.69 51.65 3bh3 s MET 66 Cb -0.17 -2.78 0.91 0.00 2.01 0.00 0.00 34.83 34.80 3bh3 s MET 66 CO 0.16 -1.31 1.74 -0.35 -0.01 0.00 0.00 175.02 175.25 3bh3 n PRO 67 N 2.31 0.23 -3.40 2.03 -0.04 -1.26 -1.87 135.00 133.01 3bh3 n PRO 67 Ca 0.22 0.34 -0.19 0.00 -0.04 0.00 0.00 63.50 63.83 3bh3 n PRO 67 Cb 0.39 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 3bh3 n PRO 67 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bh3 s ASP 68 N -4.40 1.67 -0.10 3.54 -1.08 -1.25 -4.41 116.67 110.64 3bh3 s ASP 68 Ca 0.07 -1.26 -0.01 0.00 -0.52 0.00 0.00 52.55 50.82 3bh3 s ASP 68 Cb 0.11 0.40 0.03 0.00 -1.46 0.00 0.00 42.92 42.00 3bh3 s ASP 68 CO 0.48 -0.33 -0.01 -0.44 0.52 0.00 0.00 175.17 175.40 3bh3 s SER 69 N 1.84 1.94 0.17 -0.34 0.01 -0.70 -1.09 113.70 115.53 3bh3 s SER 69 Ca 0.13 -0.26 -0.32 0.00 1.31 0.00 0.00 55.95 56.81 3bh3 s SER 69 Cb -0.15 -0.54 -0.10 0.00 0.21 0.00 0.00 66.02 65.43 3bh3 s SER 69 CO -0.18 -0.20 1.60 0.42 0.41 0.00 0.00 173.24 175.29 3bh3 s THR 70 N 1.90 2.49 0.00 1.44 -4.23 -0.68 -0.58 115.64 115.99 3bh3 s THR 70 Ca 0.04 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3bh3 s THR 70 Cb -0.13 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3bh3 s THR 70 CO -0.06 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3bh3 n GLY 71 N 3.78 3.00 0.06 3.99 0.00 -1.26 -4.63 105.19 110.14 3bh3 n GLY 71 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 3bh3 n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bh3 n PHE 72 N -2.00 0.00 0.00 1.61 3.72 -0.96 -4.51 117.46 115.32 3bh3 n PHE 72 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3bh3 n PHE 72 Cb 0.00 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 3bh3 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bh3 n GLY 73 N 2.73 0.73 3.01 1.37 0.00 0.25 -4.70 105.19 108.59 3bh3 n GLY 73 Ca -0.21 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 3bh3 n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bh3 s ASP 74 N -4.00 3.73 0.34 1.61 -1.08 -1.26 -1.73 116.67 114.28 3bh3 s ASP 74 Ca 0.00 -1.06 -0.07 0.00 -0.52 0.00 0.00 52.55 50.90 3bh3 s ASP 74 Cb 0.00 -1.31 0.02 0.00 -1.46 0.00 0.00 42.92 40.17 3bh3 s ASP 74 CO 0.00 -0.17 0.56 -0.72 0.52 0.00 0.00 175.17 175.36 3bh3 s TYR 75 N 1.32 0.72 0.11 -5.34 -0.85 -0.78 -4.98 117.35 107.55 3bh3 s TYR 75 Ca -0.04 -1.08 0.05 0.00 -0.52 0.00 0.00 57.07 55.47 3bh3 s TYR 75 Cb -0.17 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 3bh3 s TYR 75 CO -0.07 -1.24 -0.12 -1.12 -1.52 0.00 0.00 175.55 171.48 3bh3 s SER 76 N -3.16 1.69 0.02 -0.18 0.01 -1.26 -0.32 113.70 110.49 3bh3 s SER 76 Ca 0.25 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.69 3bh3 s SER 76 Cb -0.02 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 3bh3 s SER 76 CO 0.16 -0.22 -0.04 -0.70 0.41 0.00 0.00 173.24 172.86 3bh3 s GLU 77 N -2.82 0.30 0.05 12.44 -6.30 0.15 -3.52 118.70 119.00 3bh3 s GLU 77 Ca 0.08 -0.47 0.04 0.00 -2.50 0.00 0.00 54.97 52.11 3bh3 s GLU 77 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 34.13 34.03 3bh3 s GLU 77 CO 0.01 -0.00 -0.11 0.45 0.02 0.00 0.00 175.26 175.63 3bh3 s SER 78 N -1.06 1.29 -0.11 -1.70 0.15 -0.63 0.19 113.70 111.83 3bh3 s SER 78 Ca -0.10 -0.54 -0.31 0.00 0.70 0.00 0.00 55.95 55.70 3bh3 s SER 78 Cb -0.07 -0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.34 3bh3 s SER 78 CO -0.00 -0.11 1.04 -0.83 1.20 0.00 0.00 173.24 174.54 3bh3 s GLY 79 N -1.52 -0.34 -0.23 9.45 0.00 -0.30 -0.51 107.32 113.86 3bh3 s GLY 79 Ca -0.05 1.49 -0.05 0.00 0.00 0.00 0.00 44.72 46.11 3bh3 s GLY 79 CO 0.01 0.57 0.01 1.20 0.00 0.00 0.00 173.10 174.89 3bh3 s GLN 80 N -2.41 3.48 0.02 2.90 -0.21 0.24 -0.60 119.66 123.08 3bh3 s GLN 80 Ca 0.05 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.91 3bh3 s GLN 80 Cb -0.01 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 3bh3 s GLN 80 CO -0.05 -0.20 -0.14 0.54 -2.12 0.00 0.00 175.29 173.31 3bh3 s VAL 81 N 1.53 1.14 -0.06 1.09 0.11 -0.60 -1.33 120.40 122.28 3bh3 s VAL 81 Ca 0.06 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.29 3bh3 s VAL 81 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 3bh3 s VAL 81 CO -0.00 0.13 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.10 3bh3 s ILE 82 N -0.65 1.44 0.24 7.04 1.01 -0.13 -0.18 121.20 129.97 3bh3 s ILE 82 Ca 0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 3bh3 s ILE 82 Cb -0.07 -1.25 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 3bh3 s ILE 82 CO 0.01 0.42 1.23 -2.16 0.00 0.00 0.00 174.94 174.43 3bh3 s PRO 83 N 0.23 4.47 0.18 2.79 0.04 -1.26 -0.34 135.00 141.11 3bh3 s PRO 83 Ca -0.08 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 3bh3 s PRO 83 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3bh3 s PRO 83 CO 0.03 -0.09 0.17 0.14 0.04 0.00 0.00 177.00 177.30 3bh3 s VAL 84 N -0.47 0.05 0.07 -0.36 -7.23 -0.42 -3.55 120.40 108.48 3bh3 s VAL 84 Ca 0.51 -1.79 0.09 0.00 -1.81 0.00 0.00 61.98 58.98 3bh3 s VAL 84 Cb -0.35 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 3bh3 s VAL 84 CO 0.41 -0.21 -0.24 0.42 -0.31 0.00 0.00 175.10 175.18 3bh3 s THR 85 N -4.07 1.98 -0.07 5.32 -4.23 0.20 -1.37 115.64 113.39 3bh3 s THR 85 Ca 0.28 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3bh3 s THR 85 Cb 0.06 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.21 3bh3 s THR 85 CO 0.06 0.22 0.02 0.12 -0.54 0.00 0.00 174.62 174.50 3bh3 s PHE 86 N -0.89 0.55 -1.45 3.99 2.19 0.07 -0.64 117.98 121.79 3bh3 s PHE 86 Ca 0.10 -0.12 -0.08 0.00 0.33 0.00 0.00 56.93 57.16 3bh3 s PHE 86 Cb -0.10 -0.74 0.05 0.00 -1.31 0.00 0.00 43.02 40.92 3bh3 s PHE 86 CO 0.03 -0.32 0.82 0.54 1.83 0.00 0.00 175.22 178.11 3bh3 n ARG 87 N 5.18 -4.96 -0.92 10.12 5.12 -1.26 -1.33 116.66 128.61 3bh3 n ARG 87 Ca -0.06 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 3bh3 n ARG 87 Cb 0.50 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.54 3bh3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bh3 n GLY 88 N -1.67 0.07 3.74 -0.13 0.00 -1.26 -4.97 105.19 100.98 3bh3 n GLY 88 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3bh3 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bh3 s GLU 89 N -1.58 4.25 -0.09 1.61 2.12 -0.44 -5.03 118.70 119.53 3bh3 s GLU 89 Ca 0.00 0.37 -0.22 0.00 0.36 0.00 0.00 54.97 55.47 3bh3 s GLU 89 Cb 0.00 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3bh3 s GLU 89 CO 0.00 0.28 0.66 0.50 -0.54 0.00 0.00 175.26 176.15 3bh3 s ARG 90 N 0.27 4.39 0.00 4.30 3.52 -1.26 -0.75 118.95 129.41 3bh3 s ARG 90 Ca 0.23 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 3bh3 s ARG 90 Cb -0.15 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 3bh3 s ARG 90 CO 0.09 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 3bh3 n GLY 91 N 3.22 2.85 3.19 8.12 0.00 -0.47 -4.23 105.19 117.86 3bh3 n GLY 91 Ca -0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3bh3 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bh3 s SER 92 N 2.00 1.74 -0.09 1.61 1.04 -0.87 -1.30 113.70 117.83 3bh3 s SER 92 Ca 0.00 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.76 3bh3 s SER 92 Cb 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.09 3bh3 s SER 92 CO 0.00 -0.11 -0.14 -0.47 0.98 0.00 0.00 173.24 173.49 3bh3 s TYR 93 N -1.63 1.81 -0.40 5.02 5.04 0.54 -0.64 117.35 127.10 3bh3 s TYR 93 Ca 0.02 -0.79 -0.19 0.00 -2.44 0.00 0.00 57.07 53.66 3bh3 s TYR 93 Cb -0.08 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 40.93 3bh3 s TYR 93 CO 0.02 -0.41 0.58 0.99 -1.34 0.00 0.00 175.55 175.39 3bh3 s THR 94 N 0.87 4.92 -0.00 4.34 2.01 -1.22 -0.95 115.64 125.61 3bh3 s THR 94 Ca -0.10 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 3bh3 s THR 94 Cb -0.15 -4.09 -0.34 0.00 0.01 0.00 0.00 72.50 67.92 3bh3 s THR 94 CO 0.01 -0.42 0.95 0.25 -0.69 0.00 0.00 174.62 174.72 3bh3 h LEU 95 N 9.39 0.70 -7.09 4.42 5.85 -1.60 -3.45 115.31 123.53 3bh3 h LEU 95 Ca -0.26 -0.93 -0.06 0.00 0.84 0.00 0.00 57.88 57.46 3bh3 h LEU 95 Cb 1.11 -0.23 -0.22 0.00 0.37 0.00 0.00 40.66 41.69 3bh3 h LEU 95 CO 0.84 1.59 0.03 0.00 -0.34 0.00 0.00 178.44 180.56 3bh3 s ALA 96 N -2.53 -1.57 0.05 1.25 0.00 -1.20 -4.91 121.76 112.86 3bh3 s ALA 96 Ca -0.11 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.61 3bh3 s ALA 96 Cb 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3bh3 s ALA 96 CO 0.90 -0.30 -0.05 -1.64 0.00 0.00 0.00 175.76 174.67 3bh3 s MET 97 N 0.26 0.57 -0.04 0.00 -1.94 -1.25 -0.60 119.30 116.31 3bh3 s MET 97 Ca -0.01 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 52.97 3bh3 s MET 97 Cb -0.04 -0.03 0.03 0.00 2.01 0.00 0.00 34.83 36.79 3bh3 s MET 97 CO 0.01 -0.04 0.07 -0.06 -0.01 0.00 0.00 175.02 175.00 3bh3 s PHE 98 N -2.65 -0.05 0.15 -0.03 0.08 0.33 -1.68 117.98 114.13 3bh3 s PHE 98 Ca -0.01 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.35 3bh3 s PHE 98 Cb -0.01 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 3bh3 s PHE 98 CO -0.04 -0.11 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.35 3bh3 s LEU 99 N 1.04 2.53 -0.22 -0.37 1.02 -0.77 -1.60 118.68 120.32 3bh3 s LEU 99 Ca -0.08 -1.01 0.12 0.00 0.02 0.00 0.00 54.13 53.17 3bh3 s LEU 99 Cb -0.12 -0.37 0.42 0.00 0.02 0.00 0.00 46.19 46.15 3bh3 s LEU 99 CO -0.04 -0.32 1.26 -0.90 0.02 0.00 0.00 176.35 176.37 3bh3 n ASP 100 N -0.20 1.94 -3.69 2.29 3.85 -1.23 -1.23 116.55 118.28 3bh3 n ASP 100 Ca -0.10 -3.79 -0.10 0.00 -0.71 0.00 0.00 54.79 50.09 3bh3 n ASP 100 Cb 0.61 -0.54 -0.11 0.00 -1.35 0.00 0.00 41.12 39.73 3bh3 n ASP 100 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bh3 s ASP 101 N -3.06 -0.54 -0.06 -1.12 2.15 -1.26 -4.95 116.67 107.83 3bh3 s ASP 101 Ca 0.39 0.93 -0.24 0.00 0.43 0.00 0.00 52.55 54.05 3bh3 s ASP 101 Cb 0.37 0.81 -0.26 0.00 -0.30 0.00 0.00 42.92 43.53 3bh3 s ASP 101 CO -0.05 -0.20 0.94 -0.61 -0.17 0.00 0.00 175.17 175.09 3bh3 h GLN 102 N 7.09 0.20 -0.72 4.34 5.75 -1.94 -3.16 115.11 126.67 3bh3 h GLN 102 Ca -0.36 -0.26 0.16 0.00 -0.15 0.00 0.00 58.65 58.03 3bh3 h GLN 102 Cb 1.19 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.71 3bh3 h GLN 102 CO 0.29 1.05 0.14 -1.35 -2.65 0.00 0.00 178.83 176.31 3bh3 h PRO 103 N -0.53 0.23 0.00 -2.39 0.11 -1.88 0.57 132.00 128.11 3bh3 h PRO 103 Ca -0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3bh3 h PRO 103 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bh3 h PRO 103 CO 0.08 0.15 -0.06 -1.00 -0.21 0.00 0.00 178.00 176.96 3bh3 h PRO 104 N 0.24 0.00 -0.02 1.05 0.13 -1.84 -1.07 132.00 130.49 3bh3 h PRO 104 Ca 0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.47 3bh3 h PRO 104 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3bh3 h PRO 104 CO -0.52 0.06 -0.24 1.25 -0.23 0.00 0.00 178.00 178.31 3bh3 h LEU 105 N 0.00 0.24 -0.11 1.56 6.46 -1.01 0.01 115.31 122.46 3bh3 h LEU 105 Ca -0.00 -0.73 -0.04 0.00 -0.12 0.00 0.00 57.88 56.99 3bh3 h LEU 105 Cb 0.68 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 3bh3 h LEU 105 CO 0.01 0.94 -0.08 0.00 -0.62 0.00 0.00 178.44 178.69 3bh3 h ALA 106 N 0.31 0.16 -0.20 1.25 0.00 -1.01 -2.40 119.26 117.36 3bh3 h ALA 106 Ca -0.03 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3bh3 h ALA 106 Cb 0.97 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3bh3 h ALA 106 CO 0.05 -0.03 -0.03 0.78 0.00 0.00 0.00 179.25 180.02 3bh3 h GLY 107 N -0.13 0.17 0.52 0.00 0.00 -1.29 0.53 103.07 102.87 3bh3 h GLY 107 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3bh3 h GLY 107 CO 0.02 -0.06 -0.05 -1.33 0.00 0.00 0.00 176.54 175.12 3bh3 h GLY 108 N 0.03 0.19 0.86 4.60 0.00 -1.03 -0.48 103.07 107.23 3bh3 h GLY 108 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3bh3 h GLY 108 CO -0.19 -0.09 0.03 3.21 0.00 0.00 0.00 176.54 179.51 3bh3 h ARG 109 N 0.01 0.13 0.00 4.80 3.08 -1.22 0.92 114.38 122.10 3bh3 h ARG 109 Ca 0.12 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3bh3 h ARG 109 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3bh3 h ARG 109 CO -0.25 0.26 -1.04 0.93 -1.07 0.00 0.00 179.97 178.80 3bh3 h GLU 110 N -0.02 0.00 0.00 0.04 5.08 -0.76 -2.74 114.58 116.18 3bh3 h GLU 110 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3bh3 h GLU 110 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3bh3 h GLU 110 CO -0.00 0.68 -1.24 -0.11 -1.00 0.00 0.00 179.01 177.34 3bh3 n LEU 111 N -3.20 1.91 -0.03 1.33 7.94 -0.20 -4.69 117.00 120.06 3bh3 n LEU 111 Ca -0.04 0.41 -0.07 0.00 -1.11 0.00 0.00 56.01 55.21 3bh3 n LEU 111 Cb 0.89 -0.81 -0.14 0.00 0.53 0.00 0.00 43.42 43.89 3bh3 n LEU 111 CO 0.44 -0.09 -0.61 0.79 -1.11 0.00 0.00 177.39 176.82 3bh3 n TRP 112 N -4.45 0.80 -1.61 1.96 8.01 -1.17 -4.89 117.44 116.09 3bh3 n TRP 112 Ca -0.23 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 3bh3 n TRP 112 Cb 0.55 -1.13 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 3bh3 n TRP 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bh3 n GLY 113 N 1.56 0.97 3.76 6.99 0.00 -0.31 -4.62 105.19 113.54 3bh3 n GLY 113 Ca -0.19 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3bh3 n GLY 113 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bh3 s PHE 114 N -2.58 3.32 0.00 1.61 0.08 0.16 -4.24 117.98 116.34 3bh3 s PHE 114 Ca 0.00 1.49 -0.05 0.00 0.12 0.00 0.00 56.93 58.49 3bh3 s PHE 114 Cb 0.00 -3.49 -0.22 0.00 -0.57 0.00 0.00 43.02 38.74 3bh3 s PHE 114 CO 0.00 -1.31 3.17 -0.35 -0.10 0.00 0.00 175.22 176.63 3bh3 n PRO 115 N 1.46 1.71 -2.30 0.24 -0.04 -1.26 -3.81 135.00 131.01 3bh3 n PRO 115 Ca 0.01 -0.81 -0.41 0.00 -0.04 0.00 0.00 63.50 62.26 3bh3 n PRO 115 Cb 0.43 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 3bh3 n PRO 115 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3bh3 s LYS 116 N 1.07 4.47 0.37 0.54 1.02 -1.26 -3.76 119.74 122.18 3bh3 s LYS 116 Ca 0.54 1.98 0.05 0.00 0.02 0.00 0.00 55.97 58.56 3bh3 s LYS 116 Cb 0.26 -3.18 -0.07 0.00 -0.52 0.00 0.00 37.83 34.31 3bh3 s LYS 116 CO 0.00 -0.09 0.03 0.15 -0.92 0.00 0.00 175.35 174.52 3bh3 s LYS 117 N -0.74 1.81 0.22 1.68 1.02 -0.68 -4.98 119.74 118.07 3bh3 s LYS 117 Ca 0.51 -2.01 -0.15 0.00 0.02 0.00 0.00 55.97 54.34 3bh3 s LYS 117 Cb -0.35 -1.25 -0.08 0.00 -0.52 0.00 0.00 37.83 35.63 3bh3 s LYS 117 CO 0.41 -0.12 0.64 0.00 -0.92 0.00 0.00 175.35 175.36 3bh3 s ALA 118 N -3.00 3.47 0.08 5.17 0.00 -1.26 -1.84 121.76 124.38 3bh3 s ALA 118 Ca 0.36 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 3bh3 s ALA 118 Cb 0.09 -2.64 0.09 0.00 0.00 0.00 0.00 23.12 20.66 3bh3 s ALA 118 CO 0.17 0.40 1.15 0.20 0.00 0.00 0.00 175.76 177.69 3bh3 s GLY 119 N -1.95 -0.08 -0.59 0.00 0.00 -0.36 -4.73 107.32 99.61 3bh3 s GLY 119 Ca 0.45 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.19 3bh3 s GLY 119 CO 0.20 2.97 0.35 1.25 0.00 0.00 0.00 173.10 177.86 3bh3 s LYS 120 N -2.25 2.18 0.31 2.90 2.47 0.43 -3.50 119.74 122.28 3bh3 s LYS 120 Ca 0.22 -2.84 -0.27 0.00 -1.56 0.00 0.00 55.97 51.52 3bh3 s LYS 120 Cb -0.01 -3.39 -0.10 0.00 -1.46 0.00 0.00 37.83 32.88 3bh3 s LYS 120 CO 0.02 -1.17 0.96 -2.14 0.16 0.00 0.00 175.35 173.18 3bh3 s PRO 121 N -0.64 4.61 0.01 4.03 0.02 -1.26 -1.54 135.00 140.23 3bh3 s PRO 121 Ca 0.19 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.63 3bh3 s PRO 121 Cb -0.19 -2.90 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 3bh3 s PRO 121 CO -0.05 0.29 -0.04 1.03 -0.33 0.00 0.00 177.00 177.90 3bh3 s ARG 122 N -1.87 0.29 -0.11 5.54 0.52 -0.21 -4.81 118.95 118.29 3bh3 s ARG 122 Ca 0.49 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.28 3bh3 s ARG 122 Cb -0.21 -0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.20 3bh3 s ARG 122 CO 0.27 0.02 0.10 -1.17 0.02 0.00 0.00 175.30 174.53 3bh3 s LEU 123 N -0.80 0.18 -0.06 2.53 2.96 -1.26 -1.08 118.68 121.14 3bh3 s LEU 123 Ca -0.07 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 3bh3 s LEU 123 Cb -0.06 -0.09 0.02 0.00 0.50 0.00 0.00 46.19 46.57 3bh3 s LEU 123 CO -0.00 -0.30 0.30 -1.61 -1.32 0.00 0.00 176.35 173.42 3bh3 s GLU 124 N 2.19 0.51 -0.16 1.98 2.02 -0.80 -4.96 118.70 119.47 3bh3 s GLU 124 Ca 0.04 0.08 -0.24 0.00 0.02 0.00 0.00 54.97 54.87 3bh3 s GLU 124 Cb -0.14 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 3bh3 s GLU 124 CO -0.06 -0.11 0.75 0.08 0.02 0.00 0.00 175.26 175.94 3bh3 s VAL 125 N -0.63 4.95 -0.58 2.63 1.01 -1.26 -0.05 120.40 126.47 3bh3 s VAL 125 Ca -0.07 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 3bh3 s VAL 125 Cb -0.04 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.42 3bh3 s VAL 125 CO 0.02 0.09 0.37 -1.00 0.00 0.00 0.00 175.10 174.59 3bh3 s HIS 126 N 1.83 3.37 0.00 5.22 3.76 0.16 -4.96 115.29 124.67 3bh3 s HIS 126 Ca 0.36 -2.83 0.00 0.00 -0.15 0.00 0.00 55.06 52.44 3bh3 s HIS 126 Cb -0.17 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.43 3bh3 s HIS 126 CO 0.13 -0.83 0.00 1.04 -0.85 0.00 0.00 174.74 174.23 3bh3 n GLN 127 N 3.46 0.00 0.00 1.40 3.00 -1.26 -2.41 117.38 121.57 3bh3 n GLN 127 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.15 3bh3 n GLN 127 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.54 3bh3 n GLN 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3bh3 n ASP 128 N 3.94 1.30 -4.19 1.08 5.75 -1.26 -4.98 116.55 118.20 3bh3 n ASP 128 Ca 0.00 -1.15 -0.29 0.00 -0.01 0.00 0.00 54.79 53.34 3bh3 n ASP 128 Cb 0.00 0.79 -0.16 0.00 -1.03 0.00 0.00 41.12 40.72 3bh3 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3bh3 s THR 129 N -2.61 1.72 -0.45 2.12 2.01 -1.01 -3.48 115.64 113.94 3bh3 s THR 129 Ca 0.11 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 3bh3 s THR 129 Cb 0.15 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.21 3bh3 s THR 129 CO 0.68 0.49 1.05 -0.22 -0.69 0.00 0.00 174.62 175.93 3bh3 s LEU 130 N 0.05 3.81 -0.28 4.42 2.96 -0.55 0.37 118.68 129.46 3bh3 s LEU 130 Ca -0.07 0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 3bh3 s LEU 130 Cb -0.14 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3bh3 s LEU 130 CO 0.04 -1.12 0.12 -0.69 -1.32 0.00 0.00 176.35 173.37 3bh3 s VAL 131 N 4.07 4.51 -0.18 1.68 1.01 0.93 -1.66 120.40 130.76 3bh3 s VAL 131 Ca 0.43 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 3bh3 s VAL 131 Cb -0.09 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3bh3 s VAL 131 CO 0.27 0.20 0.11 -0.83 0.00 0.00 0.00 175.10 174.85 3bh3 s GLY 132 N 1.62 2.02 0.07 4.51 0.00 0.95 -1.91 107.32 114.58 3bh3 s GLY 132 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.11 3bh3 s GLY 132 CO 0.05 0.01 -0.10 -1.35 0.00 0.00 0.00 173.10 171.71 3bh3 s SER 133 N 0.08 1.27 -0.11 1.64 1.04 -0.24 0.02 113.70 117.40 3bh3 s SER 133 Ca 0.08 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.85 3bh3 s SER 133 Cb -0.12 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3bh3 s SER 133 CO -0.00 -0.19 -0.08 -0.22 0.98 0.00 0.00 173.24 173.72 3bh3 s LEU 134 N -1.93 1.23 -0.03 2.42 2.96 0.20 -1.05 118.68 122.48 3bh3 s LEU 134 Ca -0.02 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3bh3 s LEU 134 Cb -0.07 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 3bh3 s LEU 134 CO 0.01 -0.11 0.03 -1.81 -1.32 0.00 0.00 176.35 173.15 3bh3 s ASP 135 N 1.67 5.37 -0.35 3.68 -0.00 -0.59 -0.81 116.67 125.64 3bh3 s ASP 135 Ca 0.05 0.09 -0.01 0.00 -0.00 0.00 0.00 52.55 52.68 3bh3 s ASP 135 Cb -0.13 -1.49 0.09 0.00 -0.00 0.00 0.00 42.92 41.39 3bh3 s ASP 135 CO -0.08 0.30 0.10 0.12 -0.00 0.00 0.00 175.17 175.61 3bh3 s PHE 136 N -1.07 3.51 0.00 4.23 2.19 -0.13 -0.43 117.98 126.28 3bh3 s PHE 136 Ca 0.19 -2.36 0.00 0.00 0.33 0.00 0.00 56.93 55.09 3bh3 s PHE 136 Cb -0.12 -2.76 0.00 0.00 -1.31 0.00 0.00 43.02 38.83 3bh3 s PHE 136 CO 0.09 -0.91 0.00 0.41 1.83 0.00 0.00 175.22 176.64 3bh3 n GLY 137 N 4.53 3.18 0.52 13.12 0.00 -1.26 -2.35 105.19 122.93 3bh3 n GLY 137 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3bh3 n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bh3 n PRO 138 N 14.00 1.64 -4.18 1.61 -0.04 -1.26 -4.81 135.00 141.96 3bh3 n PRO 138 Ca 0.00 -0.77 -0.34 0.00 -0.04 0.00 0.00 63.50 62.36 3bh3 n PRO 138 Cb 0.00 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 3bh3 n PRO 138 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bh3 s VAL 139 N -1.66 2.68 -0.01 0.52 1.01 -0.99 -5.07 120.40 116.88 3bh3 s VAL 139 Ca 0.14 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3bh3 s VAL 139 Cb 0.08 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3bh3 s VAL 139 CO 0.08 0.49 1.33 -0.60 0.00 0.00 0.00 175.10 176.40 3bh3 s ARG 140 N 1.20 4.31 -0.00 2.72 6.06 -1.26 -0.96 118.95 131.02 3bh3 s ARG 140 Ca 0.02 1.87 0.06 0.00 -2.50 0.00 0.00 55.73 55.18 3bh3 s ARG 140 Cb -0.14 -3.54 -0.07 0.00 0.06 0.00 0.00 34.95 31.26 3bh3 s ARG 140 CO -0.06 -0.51 0.20 0.44 -2.50 0.00 0.00 175.30 172.87 3bh3 n ILE 141 N 4.58 0.00 -3.70 4.11 -5.35 0.01 -4.61 119.36 114.40 3bh3 n ILE 141 Ca 0.12 -0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 3bh3 n ILE 141 Cb 0.44 0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 39.02 3bh3 n ILE 141 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bh3 s ALA 142 N -1.83 -1.09 -0.14 -1.28 0.00 -1.16 -0.29 121.76 115.97 3bh3 s ALA 142 Ca 0.01 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 3bh3 s ALA 142 Cb 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3bh3 s ALA 142 CO 0.23 -0.25 -0.00 0.99 0.00 0.00 0.00 175.76 176.72 3bh3 s THR 143 N 1.06 0.66 0.04 0.00 2.01 -0.07 -0.63 115.64 118.70 3bh3 s THR 143 Ca -0.07 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.63 3bh3 s THR 143 Cb -0.07 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 3bh3 s THR 143 CO -0.09 0.05 -0.11 -0.83 -0.69 0.00 0.00 174.62 172.95 3bh3 s GLY 144 N 1.83 1.71 0.07 4.40 0.00 0.10 -1.13 107.32 114.30 3bh3 s GLY 144 Ca 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3bh3 s GLY 144 CO -0.07 -1.04 -0.07 -0.51 0.00 0.00 0.00 173.10 171.41 3bh3 s THR 145 N -1.04 0.59 0.01 0.90 -4.23 -0.38 -0.03 115.64 111.46 3bh3 s THR 145 Ca 0.18 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.05 3bh3 s THR 145 Cb -0.11 -1.15 0.01 0.00 1.34 0.00 0.00 72.50 72.59 3bh3 s THR 145 CO 0.09 -0.65 0.26 -0.04 -0.54 0.00 0.00 174.62 173.74 3bh3 s MET 146 N -2.76 0.68 0.99 3.99 -1.94 -0.67 -0.56 119.30 119.03 3bh3 s MET 146 Ca 0.01 -0.39 -0.11 0.00 -1.71 0.00 0.00 55.69 53.49 3bh3 s MET 146 Cb -0.02 0.29 0.18 0.00 2.01 0.00 0.00 34.83 37.30 3bh3 s MET 146 CO -0.03 -0.19 1.09 0.20 -0.01 0.00 0.00 175.02 176.08 3bh3 s GLY 147 N -1.66 1.62 -0.53 -0.03 0.00 -0.25 -1.49 107.32 104.98 3bh3 s GLY 147 Ca -0.10 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.61 3bh3 s GLY 147 CO 0.00 0.71 0.64 -0.47 0.00 0.00 0.00 173.10 173.98 3bh3 s TYR 148 N -2.66 3.04 -1.45 1.90 5.04 -1.23 -4.63 117.35 117.37 3bh3 s TYR 148 Ca 0.66 -0.70 -0.07 0.00 -2.44 0.00 0.00 57.07 54.53 3bh3 s TYR 148 Cb -0.22 -3.67 0.05 0.00 0.35 0.00 0.00 41.96 38.47 3bh3 s TYR 148 CO 0.60 -1.10 0.75 1.63 -1.34 0.00 0.00 175.55 176.08 3bh3 n LYS 149 N 6.16 -4.59 -0.13 4.97 5.02 -1.26 -4.89 118.16 123.44 3bh3 n LYS 149 Ca -0.08 0.54 -0.04 0.00 -2.02 0.00 0.00 58.31 56.71 3bh3 n LYS 149 Cb 0.44 -5.14 0.04 0.00 -0.02 0.00 0.00 35.03 30.36 3bh3 n LYS 149 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3bh3 h TYR 150 N -1.90 0.22 -3.61 2.13 0.99 -1.75 -3.45 116.97 109.61 3bh3 h TYR 150 Ca -0.60 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 59.97 3bh3 h TYR 150 Cb 1.37 -0.03 -0.24 0.00 1.00 0.00 0.00 36.73 38.83 3bh3 h TYR 150 CO 0.52 0.06 -0.59 -1.21 -0.00 0.00 0.00 178.16 176.95 3bh3 s GLU 151 N -6.15 0.27 0.39 4.88 2.02 -0.82 -5.01 118.70 114.29 3bh3 s GLU 151 Ca -0.13 -0.20 -0.27 0.00 0.02 0.00 0.00 54.97 54.40 3bh3 s GLU 151 Cb 0.14 0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.39 3bh3 s GLU 151 CO 0.72 -0.05 1.33 0.00 0.02 0.00 0.00 175.26 177.28 3bh3 s ALA 152 N -0.73 3.34 0.05 5.21 0.00 -1.26 -0.25 121.76 128.13 3bh3 s ALA 152 Ca -0.08 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 3bh3 s ALA 152 Cb -0.05 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3bh3 s ALA 152 CO 0.00 -0.84 0.29 -1.17 0.00 0.00 0.00 175.76 174.04 3bh3 s LEU 153 N -2.28 4.34 -0.17 0.00 2.96 -0.51 -4.65 118.68 118.38 3bh3 s LEU 153 Ca 0.55 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 3bh3 s LEU 153 Cb -0.40 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3bh3 s LEU 153 CO 0.52 0.19 1.70 -0.62 -1.32 0.00 0.00 176.35 176.82 3bh3 s ASP 154 N -2.03 6.37 0.28 3.68 3.68 -1.26 -4.83 116.67 122.55 3bh3 s ASP 154 Ca 0.32 1.85 0.00 0.00 2.13 0.00 0.00 52.55 56.86 3bh3 s ASP 154 Cb -0.13 -2.53 0.40 0.00 -1.45 0.00 0.00 42.92 39.21 3bh3 s ASP 154 CO 0.20 -1.23 1.76 0.03 0.13 0.00 0.00 175.17 176.07 3bh3 h ARG 155 N 10.83 0.66 0.17 4.34 2.47 -1.96 -2.67 114.38 128.22 3bh3 h ARG 155 Ca -0.37 -0.19 0.01 0.00 -1.26 0.00 0.00 59.98 58.17 3bh3 h ARG 155 Cb 1.17 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 3bh3 h ARG 155 CO 0.98 0.73 -0.53 0.77 0.56 0.00 0.00 179.97 182.49 3bh3 h SER 156 N 0.61 -1.57 -0.87 7.04 0.02 -1.99 0.30 113.55 117.10 3bh3 h SER 156 Ca 0.11 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 3bh3 h SER 156 Cb 0.50 0.57 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 3bh3 h SER 156 CO 0.03 -0.57 0.55 0.00 -1.14 0.00 0.00 176.83 175.70 3bh3 h ALA 157 N -0.59 1.16 0.11 3.77 0.00 -1.96 -0.79 119.26 120.95 3bh3 h ALA 157 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bh3 h ALA 157 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3bh3 h ALA 157 CO -0.26 0.36 -0.05 1.25 0.00 0.00 0.00 179.25 180.55 3bh3 h LEU 158 N 1.05 -0.12 -1.06 0.00 5.85 -1.06 -1.09 115.31 118.87 3bh3 h LEU 158 Ca 0.36 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3bh3 h LEU 158 Cb 0.07 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3bh3 h LEU 158 CO -0.14 0.03 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.91 3bh3 h LEU 159 N -0.27 0.62 -1.19 2.25 3.38 -0.17 -0.92 115.31 119.01 3bh3 h LEU 159 Ca -0.01 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3bh3 h LEU 159 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bh3 h LEU 159 CO 0.02 0.70 -0.26 0.00 0.09 0.00 0.00 178.44 178.99 3bh3 h ALA 160 N 1.38 1.33 -0.13 1.53 0.00 -1.03 -2.53 119.26 119.81 3bh3 h ALA 160 Ca 0.12 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3bh3 h ALA 160 Cb 0.40 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bh3 h ALA 160 CO 0.02 0.46 -0.57 1.03 0.00 0.00 0.00 179.25 180.18 3bh3 h SER 161 N 0.21 0.73 0.72 0.00 0.87 -0.28 -2.94 113.55 112.86 3bh3 h SER 161 Ca 0.03 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 3bh3 h SER 161 Cb 0.57 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3bh3 h SER 161 CO 0.04 1.24 0.00 0.18 -0.53 0.00 0.00 176.83 177.76 3bh3 n LEU 162 N -4.15 0.59 0.09 2.23 4.77 -0.44 -2.70 117.00 117.40 3bh3 n LEU 162 Ca -0.08 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 3bh3 n LEU 162 Cb 0.64 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3bh3 n LEU 162 CO 0.48 -0.51 0.02 0.00 -1.33 0.00 0.00 177.39 176.05 3bh3 n ALA 163 N -1.74 2.60 -1.74 -1.18 0.00 -0.96 -4.22 120.51 113.27 3bh3 n ALA 163 Ca 0.02 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 3bh3 n ALA 163 Cb 0.23 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.63 3bh3 n ALA 163 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bh3 s GLU 164 N -3.35 2.85 0.37 0.00 2.02 -1.10 -4.92 118.70 114.57 3bh3 s GLU 164 Ca -0.00 2.05 -0.28 0.00 0.02 0.00 0.00 54.97 56.76 3bh3 s GLU 164 Cb 0.10 -1.99 -0.11 0.00 0.10 0.00 0.00 34.13 32.23 3bh3 s GLU 164 CO 0.79 -1.36 1.44 -1.25 0.02 0.00 0.00 175.26 174.89 3bh3 s PRO 165 N -3.22 4.16 -0.21 0.39 0.04 -1.26 -4.80 135.00 130.10 3bh3 s PRO 165 Ca 0.78 2.47 -0.04 0.00 0.04 0.00 0.00 61.00 64.25 3bh3 s PRO 165 Cb -0.36 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3bh3 s PRO 165 CO 0.40 -0.45 -0.03 -0.80 0.04 0.00 0.00 177.00 176.15 3bh3 s ASN 166 N -0.25 4.44 0.02 6.66 0.01 -0.39 -2.04 114.94 123.39 3bh3 s ASN 166 Ca 0.52 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3bh3 s ASN 166 Cb -0.45 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 3bh3 s ASN 166 CO 0.60 0.01 0.08 -0.36 -1.51 0.00 0.00 177.10 175.92 3bh3 s PHE 167 N 1.28 3.25 -0.03 2.20 0.08 0.19 -0.35 117.98 124.60 3bh3 s PHE 167 Ca 0.03 0.16 -0.05 0.00 0.12 0.00 0.00 56.93 57.20 3bh3 s PHE 167 Cb -0.14 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3bh3 s PHE 167 CO -0.01 0.54 0.13 -0.51 -0.10 0.00 0.00 175.22 175.26 3bh3 s LEU 168 N -1.93 1.55 -0.83 -0.37 1.43 0.53 -3.40 118.68 115.67 3bh3 s LEU 168 Ca 0.25 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 3bh3 s LEU 168 Cb -0.12 0.49 0.16 0.00 0.03 0.00 0.00 46.19 46.75 3bh3 s LEU 168 CO 0.16 -0.15 0.91 -0.22 0.23 0.00 0.00 176.35 177.29 3bh3 s LEU 169 N -0.40 5.74 -0.20 1.79 2.96 -1.26 -0.67 118.68 126.64 3bh3 s LEU 169 Ca -0.05 -2.16 -0.29 0.00 -0.22 0.00 0.00 54.13 51.41 3bh3 s LEU 169 Cb -0.03 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3bh3 s LEU 169 CO 0.00 -0.90 1.51 -0.75 -1.32 0.00 0.00 176.35 174.90 3bh3 s LYS 170 N 1.77 3.94 -0.08 1.98 2.20 -0.39 -4.92 119.74 124.25 3bh3 s LYS 170 Ca 0.23 1.66 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 3bh3 s LYS 170 Cb -0.10 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3bh3 s LYS 170 CO -0.06 -1.11 -0.20 0.42 -0.36 0.00 0.00 175.35 174.05 3bh3 s ILE 171 N 4.61 1.70 -0.06 5.43 1.01 -1.26 -1.11 121.20 131.53 3bh3 s ILE 171 Ca 0.66 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3bh3 s ILE 171 Cb -0.24 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.77 3bh3 s ILE 171 CO 0.26 0.48 0.01 -0.63 0.00 0.00 0.00 174.94 175.06 3bh3 s ILE 172 N 0.31 0.25 0.65 2.92 -1.09 -0.61 -4.96 121.20 118.68 3bh3 s ILE 172 Ca -0.13 0.18 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 3bh3 s ILE 172 Cb -0.16 -0.41 -0.00 0.00 -1.58 0.00 0.00 42.46 40.31 3bh3 s ILE 172 CO 0.06 0.23 1.14 -2.16 -1.23 0.00 0.00 174.94 172.98 3bh3 s PRO 173 N 1.87 2.74 0.54 2.79 0.04 -1.26 -0.36 135.00 141.35 3bh3 s PRO 173 Ca 0.03 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 3bh3 s PRO 173 Cb -0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3bh3 s PRO 173 CO -0.04 -1.33 0.83 -1.58 0.04 0.00 0.00 177.00 174.93 3bh3 s HIS 174 N -2.13 3.36 0.63 0.56 2.46 0.13 -4.52 115.29 115.78 3bh3 s HIS 174 Ca 0.70 0.65 0.22 0.00 0.47 0.00 0.00 55.06 57.10 3bh3 s HIS 174 Cb -0.24 -2.54 1.05 0.00 -0.13 0.00 0.00 32.58 30.72 3bh3 s HIS 174 CO 0.40 -0.58 1.56 -0.39 -2.47 0.00 0.00 174.74 173.25 3bh3 h VAL 175 N 0.03 0.09 -0.01 0.89 -1.51 -1.97 0.28 116.25 114.04 3bh3 h VAL 175 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3bh3 h VAL 175 Cb 1.24 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3bh3 h VAL 175 CO 0.61 0.00 -0.22 -0.90 -1.23 0.00 0.00 177.57 175.83 3bh3 n ASP 176 N -3.09 1.70 0.00 4.19 5.75 -1.26 -4.96 116.55 118.89 3bh3 n ASP 176 Ca 0.07 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 3bh3 n ASP 176 Cb 0.86 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 3bh3 n ASP 176 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bh3 n GLY 177 N 1.33 1.19 3.85 6.12 0.00 0.98 -5.07 105.19 113.58 3bh3 n GLY 177 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3bh3 n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bh3 s SER 178 N -1.71 6.80 0.02 1.61 1.04 -1.26 -4.66 113.70 115.54 3bh3 s SER 178 Ca 0.00 1.13 -0.35 0.00 0.48 0.00 0.00 55.95 57.21 3bh3 s SER 178 Cb 0.00 -2.31 -0.14 0.00 0.10 0.00 0.00 66.02 63.67 3bh3 s SER 178 CO 0.00 -0.02 1.67 -2.65 0.98 0.00 0.00 173.24 173.21 3bh3 n PRO 179 N 0.28 1.93 -0.13 4.02 -0.02 -1.26 0.19 135.00 140.01 3bh3 n PRO 179 Ca -0.01 0.70 -0.22 0.00 -2.02 0.00 0.00 63.50 61.95 3bh3 n PRO 179 Cb 0.52 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 3bh3 n PRO 179 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3bh3 n ARG 180 N 4.60 0.61 -4.76 -0.52 3.00 0.51 -4.71 116.66 115.40 3bh3 n ARG 180 Ca 0.20 0.19 -0.33 0.00 -0.00 0.00 0.00 57.85 57.91 3bh3 n ARG 180 Cb 0.26 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.11 3bh3 n ARG 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bh3 s ILE 181 N -2.50 3.37 -0.41 5.15 1.01 -0.45 -4.97 121.20 122.40 3bh3 s ILE 181 Ca -0.36 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3bh3 s ILE 181 Cb 0.11 -2.35 0.19 0.00 0.01 0.00 0.00 42.46 40.42 3bh3 s ILE 181 CO 0.54 0.59 0.84 0.00 0.00 0.00 0.00 174.94 176.92 3bh3 s GLU 183 N 1.43 0.78 -0.07 0.00 -1.05 -0.26 -1.43 118.70 118.10 3bh3 s GLU 183 Ca 0.21 -1.18 -0.27 0.00 -0.15 0.00 0.00 54.97 53.57 3bh3 s GLU 183 Cb 0.02 -0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.39 3bh3 s GLU 183 CO -0.09 0.02 0.89 -0.51 0.95 0.00 0.00 175.26 176.52 3bh3 s LEU 184 N -2.62 4.30 -0.06 1.83 1.43 0.11 -1.26 118.68 122.41 3bh3 s LEU 184 Ca 0.06 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3bh3 s LEU 184 Cb 0.00 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 3bh3 s LEU 184 CO -0.03 -0.28 -0.18 -0.69 0.23 0.00 0.00 176.35 175.40 3bh3 s VAL 185 N 1.34 2.66 -0.13 -1.59 1.01 0.16 -1.01 120.40 122.84 3bh3 s VAL 185 Ca 0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3bh3 s VAL 185 Cb -0.19 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3bh3 s VAL 185 CO 0.21 0.57 -0.11 -0.60 0.00 0.00 0.00 175.10 175.17 3bh3 s ARG 186 N -0.37 3.41 0.13 2.72 3.52 -0.15 -0.34 118.95 127.87 3bh3 s ARG 186 Ca 0.03 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3bh3 s ARG 186 Cb -0.12 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 3bh3 s ARG 186 CO 0.02 0.24 0.04 1.52 -0.81 0.00 0.00 175.30 176.31 3bh3 s TYR 187 N 0.30 0.91 0.11 5.12 1.13 0.53 -0.79 117.35 124.66 3bh3 s TYR 187 Ca -0.09 -1.18 0.04 0.00 -1.41 0.00 0.00 57.07 54.44 3bh3 s TYR 187 Cb -0.15 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.15 3bh3 s TYR 187 CO 0.05 -0.44 -0.11 -1.01 -2.51 0.00 0.00 175.55 171.52 3bh3 s HIS 188 N -3.96 1.19 -0.22 -3.49 3.76 -1.26 -1.26 115.29 110.05 3bh3 s HIS 188 Ca 0.23 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.43 3bh3 s HIS 188 Cb 0.07 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 3bh3 s HIS 188 CO 0.01 0.05 0.06 0.95 -0.85 0.00 0.00 174.74 174.97 3bh3 s THR 189 N -2.47 4.50 0.34 1.30 -4.23 -1.26 -2.08 115.64 111.73 3bh3 s THR 189 Ca 0.08 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3bh3 s THR 189 Cb -0.03 -3.07 -0.00 0.00 1.34 0.00 0.00 72.50 70.74 3bh3 s THR 189 CO 0.01 0.39 0.04 0.35 -0.54 0.00 0.00 174.62 174.87 3bh3 n THR 190 N 4.30 0.00 -4.15 3.99 -2.24 0.15 -4.67 114.28 111.67 3bh3 n THR 190 Ca -0.16 -1.70 -0.33 0.00 -2.27 0.00 0.00 64.05 59.59 3bh3 n THR 190 Cb 0.52 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3bh3 n THR 190 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bh3 n ASP 191 N -1.38 -2.58 -4.68 3.42 8.00 -1.26 -0.20 116.55 117.87 3bh3 n ASP 191 Ca -0.11 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 3bh3 n ASP 191 Cb 0.45 -2.86 -0.03 0.00 -0.02 0.00 0.00 41.12 38.66 3bh3 n ASP 191 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bh3 s VAL 192 N -3.48 3.95 -0.27 2.53 1.01 -1.26 -4.29 120.40 118.59 3bh3 s VAL 192 Ca 0.54 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.82 3bh3 s VAL 192 Cb -0.30 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.34 3bh3 s VAL 192 CO 0.92 -0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.93 3bh3 s ALA 193 N 2.73 2.38 0.17 5.51 0.00 -0.04 -5.00 121.76 127.52 3bh3 s ALA 193 Ca 0.61 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 3bh3 s ALA 193 Cb -0.28 -1.62 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 3bh3 s ALA 193 CO 0.23 -1.32 1.31 0.42 0.00 0.00 0.00 175.76 176.40 3bh3 s ILE 194 N 1.19 3.31 -0.10 0.00 1.09 -1.26 -0.99 121.20 124.43 3bh3 s ILE 194 Ca -0.03 1.04 0.20 0.00 -1.10 0.00 0.00 60.65 60.76 3bh3 s ILE 194 Cb -0.19 -3.66 -0.29 0.00 -1.06 0.00 0.00 42.46 37.25 3bh3 s ILE 194 CO -0.07 0.14 0.30 0.29 -0.10 0.00 0.00 174.94 175.49 3bh3 n LYS 195 N 2.96 0.70 -3.64 2.79 4.76 0.80 -4.96 118.16 121.58 3bh3 n LYS 195 Ca 0.07 -0.12 -0.02 0.00 -2.87 0.00 0.00 58.31 55.37 3bh3 n LYS 195 Cb 0.43 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 3bh3 n LYS 195 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3bh3 s GLY 196 N -4.86 -0.02 -0.26 0.72 0.00 -1.11 -4.97 107.32 96.82 3bh3 s GLY 196 Ca -0.09 2.48 -0.19 0.00 0.00 0.00 0.00 44.72 46.93 3bh3 s GLY 196 CO 0.85 0.94 0.66 0.00 0.00 0.00 0.00 173.10 175.55 3bh3 s ALA 197 N -1.40 -1.73 0.10 3.20 0.00 -1.26 -1.20 121.76 119.47 3bh3 s ALA 197 Ca 0.09 2.14 -0.08 0.00 0.00 0.00 0.00 51.96 54.12 3bh3 s ALA 197 Cb -0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3bh3 s ALA 197 CO -0.06 -0.35 0.18 -1.58 0.00 0.00 0.00 175.76 173.96 3bh3 s TRP 198 N 1.06 0.28 0.30 0.00 0.51 0.84 -1.42 118.94 120.51 3bh3 s TRP 198 Ca -0.06 -0.70 0.07 0.00 -2.12 0.00 0.00 56.10 53.29 3bh3 s TRP 198 Cb -0.05 -0.11 -0.06 0.00 -0.81 0.00 0.00 33.47 32.44 3bh3 s TRP 198 CO -0.10 -0.56 -0.05 -1.54 -0.51 0.00 0.00 176.95 174.18 3bh3 s SER 199 N -2.90 2.99 0.12 2.95 1.04 0.66 -1.07 113.70 117.50 3bh3 s SER 199 Ca 0.09 -1.22 -0.26 0.00 0.48 0.00 0.00 55.95 55.04 3bh3 s SER 199 Cb 0.05 -0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.03 3bh3 s SER 199 CO -0.08 -0.35 0.92 0.00 0.98 0.00 0.00 173.24 174.71 3bh3 s ALA 200 N -2.94 -1.67 0.64 5.32 0.00 -1.24 -1.94 121.76 119.93 3bh3 s ALA 200 Ca 0.31 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 3bh3 s ALA 200 Cb 0.04 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3bh3 s ALA 200 CO 0.14 -0.95 1.27 -1.25 0.00 0.00 0.00 175.76 174.97 3bh3 s PRO 201 N -3.30 2.62 0.14 0.00 0.04 -1.26 -4.25 135.00 128.99 3bh3 s PRO 201 Ca 0.10 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 3bh3 s PRO 201 Cb -0.01 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3bh3 s PRO 201 CO -0.01 -1.53 0.13 0.20 0.04 0.00 0.00 177.00 175.83 3bh3 s GLY 202 N -1.46 0.82 0.00 0.56 0.00 -1.26 -1.09 107.32 104.89 3bh3 s GLY 202 Ca 0.81 -1.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 3bh3 s GLY 202 CO 0.39 -1.19 0.20 -1.35 0.00 0.00 0.00 173.10 171.14 3bh3 s SER 203 N -3.02 -0.04 -0.02 1.64 1.04 0.27 -4.95 113.70 108.62 3bh3 s SER 203 Ca 0.22 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.52 3bh3 s SER 203 Cb 0.06 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3bh3 s SER 203 CO 0.01 -0.41 -0.03 -0.22 0.98 0.00 0.00 173.24 173.57 3bh3 s LEU 204 N -1.44 1.59 -0.08 2.42 2.96 -1.26 -1.25 118.68 121.62 3bh3 s LEU 204 Ca -0.13 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3bh3 s LEU 204 Cb -0.06 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.37 3bh3 s LEU 204 CO 0.02 -0.02 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.16 3bh3 s GLU 205 N 0.47 2.22 0.06 1.98 2.12 -0.29 -5.00 118.70 120.27 3bh3 s GLU 205 Ca -0.05 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.71 3bh3 s GLU 205 Cb -0.08 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 3bh3 s GLU 205 CO -0.01 0.09 0.06 -0.51 -0.54 0.00 0.00 175.26 174.36 3bh3 s LEU 206 N 0.51 3.73 0.05 2.70 1.43 -1.26 -0.89 118.68 124.95 3bh3 s LEU 206 Ca -0.16 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3bh3 s LEU 206 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3bh3 s LEU 206 CO 0.06 0.19 -0.19 -1.00 0.23 0.00 0.00 176.35 175.64 3bh3 s HIS 207 N -1.33 1.65 0.56 0.29 3.76 0.60 -4.94 115.29 115.87 3bh3 s HIS 207 Ca 0.27 -0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 3bh3 s HIS 207 Cb -0.12 -0.97 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 3bh3 s HIS 207 CO 0.19 0.09 1.22 -1.25 -0.85 0.00 0.00 174.74 174.15 3bh3 s PRO 208 N -1.27 3.18 -0.28 8.40 0.04 -1.26 -4.34 135.00 139.47 3bh3 s PRO 208 Ca 0.06 1.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 3bh3 s PRO 208 Cb -0.09 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.45 3bh3 s PRO 208 CO 0.02 -1.05 0.73 -1.58 0.04 0.00 0.00 177.00 175.16 3bh3 s HIS 209 N -1.54 -0.88 0.30 0.56 2.46 -1.26 -4.98 115.29 109.95 3bh3 s HIS 209 Ca 0.73 1.95 -0.02 0.00 0.47 0.00 0.00 55.06 58.19 3bh3 s HIS 209 Cb -0.31 0.42 0.43 0.00 -0.13 0.00 0.00 32.58 32.99 3bh3 s HIS 209 CO 0.35 -0.43 1.96 0.00 -2.47 0.00 0.00 174.74 174.16 3bh3 h ALA 210 N 5.79 1.39 -0.07 1.58 0.00 -2.01 -3.05 119.26 122.90 3bh3 h ALA 210 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bh3 h ALA 210 Cb 1.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3bh3 h ALA 210 CO 0.10 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3bh3 n LEU 211 N -4.40 2.77 -2.96 0.00 4.32 -1.26 -4.61 117.00 110.85 3bh3 n LEU 211 Ca 0.09 -1.07 -0.14 0.00 -0.02 0.00 0.00 56.01 54.87 3bh3 n LEU 211 Cb 0.03 -0.03 0.02 0.00 -1.62 0.00 0.00 43.42 41.83 3bh3 n LEU 211 CO 0.37 0.49 0.03 0.00 -1.22 0.00 0.00 177.39 177.06 3bh3 n ALA 212 N 1.16 0.57 -0.56 -1.18 0.00 -1.16 -5.05 120.51 114.30 3bh3 n ALA 212 Ca 0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 53.44 51.11 3bh3 n ALA 212 Cb 0.52 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 3bh3 n ALA 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3bh3 n PRO 213 N 0.60 1.11 -0.25 0.00 -0.04 -1.18 -4.28 135.00 130.96 3bh3 n PRO 213 Ca 0.15 -0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.36 3bh3 n PRO 213 Cb 0.66 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 33.01 3bh3 n PRO 213 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3bh3 h VAL 214 N 1.74 0.86 0.00 0.52 -1.51 -1.87 -2.13 116.25 113.86 3bh3 h VAL 214 Ca 0.07 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3bh3 h VAL 214 Cb 0.94 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3bh3 h VAL 214 CO 0.15 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 176.61 3bh3 n ALA 215 N -2.44 1.18 0.34 5.19 0.00 -1.26 -2.32 120.51 121.20 3bh3 n ALA 215 Ca 0.16 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.77 3bh3 n ALA 215 Cb 0.44 -1.11 0.60 0.00 0.00 0.00 0.00 19.45 19.38 3bh3 n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bh3 h ALA 216 N 2.12 1.00 -3.14 0.00 0.00 -1.76 -3.29 119.26 114.19 3bh3 h ALA 216 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 3bh3 h ALA 216 Cb 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.51 3bh3 h ALA 216 CO 0.00 0.00 -0.39 -0.51 0.00 0.00 0.00 179.25 178.35 3bh3 s LEU 217 N -5.24 5.28 0.57 0.00 1.02 -0.98 -4.90 118.68 114.44 3bh3 s LEU 217 Ca 0.02 -2.68 -0.18 0.00 0.02 0.00 0.00 54.13 51.31 3bh3 s LEU 217 Cb 0.09 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 3bh3 s LEU 217 CO 0.45 -0.41 1.11 -2.16 0.02 0.00 0.00 176.35 175.36 3bh3 s PRO 218 N 0.19 3.23 -0.85 1.29 0.04 -1.24 -4.94 135.00 132.72 3bh3 s PRO 218 Ca 0.15 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.48 3bh3 s PRO 218 Cb -0.21 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.41 3bh3 s PRO 218 CO -0.04 -0.93 1.20 0.08 0.04 0.00 0.00 177.00 177.35 3bh3 s VAL 219 N -1.98 4.22 -0.09 -0.36 1.01 -1.26 -4.34 120.40 117.60 3bh3 s VAL 219 Ca 0.70 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 3bh3 s VAL 219 Cb -0.22 -4.86 -0.27 0.00 0.00 0.00 0.00 36.38 31.03 3bh3 s VAL 219 CO 0.31 -1.68 0.87 -0.07 0.00 0.00 0.00 175.10 174.53 3bh3 h LEU 220 N 11.78 0.18 -7.17 3.92 3.38 -1.75 -3.46 115.31 122.19 3bh3 h LEU 220 Ca -0.03 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.87 3bh3 h LEU 220 Cb 1.04 -0.06 -0.29 0.00 0.09 0.00 0.00 40.66 41.44 3bh3 h LEU 220 CO 1.25 1.10 -0.41 -0.70 0.09 0.00 0.00 178.44 179.77 3bh3 s GLU 221 N -2.50 0.27 0.01 1.13 2.12 -1.16 -5.01 118.70 113.57 3bh3 s GLU 221 Ca -0.17 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 55.76 3bh3 s GLU 221 Cb -0.01 0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 3bh3 s GLU 221 CO 0.74 -0.25 1.32 0.08 -0.54 0.00 0.00 175.26 176.61 3bh3 s VAL 222 N 2.34 3.86 -0.25 3.70 1.01 -1.26 -0.24 120.40 129.56 3bh3 s VAL 222 Ca -0.02 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 3bh3 s VAL 222 Cb -0.11 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 3bh3 s VAL 222 CO -0.11 0.02 -0.17 0.18 0.00 0.00 0.00 175.10 175.02 3bh3 n LEU 223 N 4.96 2.41 -3.83 3.92 4.77 0.12 -4.94 117.00 124.41 3bh3 n LEU 223 Ca 0.12 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 3bh3 n LEU 223 Cb 0.45 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 3bh3 n LEU 223 CO 0.57 0.71 0.37 -0.94 -1.33 0.00 0.00 177.39 176.77 3bh3 s SER 224 N -7.01 -0.25 -0.03 -1.43 1.04 -1.05 -5.02 113.70 99.94 3bh3 s SER 224 Ca -0.35 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3bh3 s SER 224 Cb 0.11 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.92 3bh3 s SER 224 CO 0.57 -1.22 0.01 0.00 0.98 0.00 0.00 173.24 173.58 3bh3 s ALA 225 N -3.92 0.27 0.04 5.32 0.00 -1.26 -1.06 121.76 121.15 3bh3 s ALA 225 Ca 0.12 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.34 3bh3 s ALA 225 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3bh3 s ALA 225 CO 0.04 -0.11 -0.19 1.03 0.00 0.00 0.00 175.76 176.53 3bh3 s ARG 226 N 1.10 1.27 -0.06 0.00 0.52 -0.62 -3.65 118.95 117.51 3bh3 s ARG 226 Ca -0.09 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.26 3bh3 s ARG 226 Cb -0.13 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 34.00 3bh3 s ARG 226 CO -0.02 0.34 -0.11 -1.58 0.02 0.00 0.00 175.30 173.96 3bh3 s HIS 227 N -0.80 1.27 0.04 -0.53 5.65 -0.23 -1.12 115.29 119.57 3bh3 s HIS 227 Ca 0.06 -0.43 -0.19 0.00 0.25 0.00 0.00 55.06 54.75 3bh3 s HIS 227 Cb -0.08 -0.95 0.04 0.00 -1.18 0.00 0.00 32.58 30.41 3bh3 s HIS 227 CO 0.02 -0.23 0.43 -0.59 -0.65 0.00 0.00 174.74 173.71 3bh3 s PHE 228 N 0.63 -0.29 -0.08 3.88 -0.71 -0.76 -0.11 117.98 120.54 3bh3 s PHE 228 Ca -0.12 0.28 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 3bh3 s PHE 228 Cb -0.15 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 3bh3 s PHE 228 CO 0.03 -0.57 -0.21 0.08 -1.34 0.00 0.00 175.22 173.21 3bh3 s VAL 229 N -2.36 1.77 0.09 -2.49 1.01 -0.34 -0.91 120.40 117.17 3bh3 s VAL 229 Ca -0.06 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3bh3 s VAL 229 Cb -0.01 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3bh3 s VAL 229 CO -0.01 0.50 0.41 0.00 0.00 0.00 0.00 175.10 175.99 3bh3 s ASP 231 N -2.41 6.59 0.25 0.00 1.01 -0.16 -0.91 116.67 121.03 3bh3 s ASP 231 Ca -0.01 0.71 -0.19 0.00 0.71 0.00 0.00 52.55 53.76 3bh3 s ASP 231 Cb 0.01 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3bh3 s ASP 231 CO -0.07 0.25 0.63 -1.48 0.21 0.00 0.00 175.17 174.71 3bh3 s LEU 232 N -1.62 -0.14 -0.18 1.23 2.34 0.37 -0.86 118.68 119.83 3bh3 s LEU 232 Ca 0.28 -0.59 -0.02 0.00 0.06 0.00 0.00 54.13 53.86 3bh3 s LEU 232 Cb -0.14 2.46 -0.01 0.00 -0.56 0.00 0.00 46.19 47.94 3bh3 s LEU 232 CO 0.15 -1.23 -0.10 -0.89 -1.06 0.00 0.00 176.35 173.23 3bh3 s THR 233 N -3.91 3.08 -0.74 5.48 2.01 0.72 -0.18 115.64 122.09 3bh3 s THR 233 Ca 0.12 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.27 3bh3 s THR 233 Cb -0.04 -2.35 0.07 0.00 0.01 0.00 0.00 72.50 70.19 3bh3 s THR 233 CO 0.04 0.48 1.10 -0.22 -0.69 0.00 0.00 174.62 175.32 3bh3 s LEU 234 N 1.02 4.12 0.56 4.42 0.20 -0.23 -0.67 118.68 128.10 3bh3 s LEU 234 Ca -0.01 -1.05 -0.18 0.00 0.69 0.00 0.00 54.13 53.59 3bh3 s LEU 234 Cb -0.15 -2.46 -0.05 0.00 -0.43 0.00 0.00 46.19 43.10 3bh3 s LEU 234 CO -0.01 -1.49 1.07 -1.81 -0.29 0.00 0.00 176.35 173.82 3bh3 s ASP 235 N 3.80 5.83 0.59 3.68 -0.00 -0.88 -4.26 116.67 125.43 3bh3 s ASP 235 Ca 0.28 1.95 -0.20 0.00 -0.00 0.00 0.00 52.55 54.58 3bh3 s ASP 235 Cb -0.12 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 3bh3 s ASP 235 CO 0.07 -1.14 1.33 -0.76 -0.00 0.00 0.00 175.17 174.68 3bh3 s LEU 236 N -4.13 3.72 0.85 1.23 1.43 -1.26 -4.46 118.68 116.06 3bh3 s LEU 236 Ca 0.67 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 56.36 3bh3 s LEU 236 Cb -0.18 -4.43 0.11 0.00 0.03 0.00 0.00 46.19 41.71 3bh3 s LEU 236 CO 0.31 -1.79 1.19 -0.83 0.23 0.00 0.00 176.35 175.46 3bh3 s GLY 237 N -1.14 1.61 0.03 -3.19 0.00 -1.26 -4.67 107.32 98.70 3bh3 s GLY 237 Ca 0.77 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.81 3bh3 s GLY 237 CO 0.44 -0.16 -0.09 -0.51 0.00 0.00 0.00 173.10 172.78 3bh3 s THR 238 N -3.57 0.65 -0.10 0.90 -4.23 0.03 -4.96 115.64 104.35 3bh3 s THR 238 Ca 0.64 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 3bh3 s THR 238 Cb -0.11 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 3bh3 s THR 238 CO 0.50 -0.18 1.17 -0.69 -0.54 0.00 0.00 174.62 174.89 3bh3 s VAL 239 N -0.96 4.37 -0.41 2.29 1.01 -1.26 -0.98 120.40 124.47 3bh3 s VAL 239 Ca -0.04 1.68 0.14 0.00 0.00 0.00 0.00 61.98 63.75 3bh3 s VAL 239 Cb -0.08 -4.08 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 3bh3 s VAL 239 CO 0.01 -0.05 0.47 1.33 0.00 0.00 0.00 175.10 176.86 3bh3 n VAL 240 N 4.84 0.00 -3.66 2.92 0.24 -0.18 -4.93 118.33 117.55 3bh3 n VAL 240 Ca 0.11 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 3bh3 n VAL 240 Cb 0.46 0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 3bh3 n VAL 240 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3bh3 s PHE 241 N -2.52 -0.84 -0.21 6.34 5.36 -1.11 -5.00 117.98 120.00 3bh3 s PHE 241 Ca 0.01 1.75 -0.00 0.00 -0.96 0.00 0.00 56.93 57.73 3bh3 s PHE 241 Cb 0.10 0.44 0.02 0.00 -0.34 0.00 0.00 43.02 43.24 3bh3 s PHE 241 CO 0.56 -0.43 -0.12 0.34 -1.46 0.00 0.00 175.22 174.10 3bh3 s ASP 242 N 1.37 3.80 0.38 6.13 -1.08 -1.26 0.06 116.67 126.07 3bh3 s ASP 242 Ca -0.08 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 51.49 3bh3 s ASP 242 Cb -0.06 -1.59 1.15 0.00 -1.46 0.00 0.00 42.92 40.96 3bh3 s ASP 242 CO -0.14 -0.06 1.82 1.88 0.52 0.00 0.00 175.17 179.19 3bh3 h TYR 243 N 7.98 0.00 -0.03 -5.34 0.05 -1.62 -3.49 116.97 114.51 3bh3 h TYR 243 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 3bh3 h TYR 243 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3bh3 h TYR 243 CO 0.54 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.93