#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 1.60 0.35 3.17 3.01 -1.26 -4.76 119.74 121.84 3bh3 s LYS 2 Ca 0.00 1.41 0.11 0.00 -1.01 0.00 0.00 55.97 56.48 3bh3 s LYS 2 Cb 0.00 -1.80 0.89 0.00 -1.01 0.00 0.00 37.83 35.90 3bh3 s LYS 2 CO 0.00 -2.18 1.79 1.96 0.51 0.00 0.00 175.35 177.43 3bh3 h GLN 3 N -1.47 0.59 -0.50 1.68 4.20 -2.07 -2.14 115.11 115.41 3bh3 h GLN 3 Ca -0.44 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 3bh3 h GLN 3 Cb 1.25 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3bh3 h GLN 3 CO 0.46 0.39 -0.16 1.96 -0.67 0.00 0.00 178.83 180.81 3bh3 h GLN 4 N 0.61 1.00 -0.43 1.46 1.08 -2.00 -2.83 115.11 113.99 3bh3 h GLN 4 Ca 0.56 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 3bh3 h GLN 4 Cb 1.09 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 3bh3 h GLN 4 CO -0.33 1.08 0.08 1.49 -0.95 0.00 0.00 178.83 180.20 3bh3 h GLU 5 N 0.86 0.64 -0.01 1.46 4.81 -1.75 -2.28 114.58 118.30 3bh3 h GLU 5 Ca 0.12 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3bh3 h GLU 5 Cb 0.74 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3bh3 h GLU 5 CO 0.06 0.60 -0.03 0.28 -0.73 0.00 0.00 179.01 179.19 3bh3 h VAL 6 N 0.62 0.92 -0.08 0.32 2.07 -1.18 -0.43 116.25 118.49 3bh3 h VAL 6 Ca 0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 3bh3 h VAL 6 Cb 0.26 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3bh3 h VAL 6 CO -0.00 0.00 -0.22 0.03 0.02 0.00 0.00 177.57 177.40 3bh3 h ARG 7 N -0.05 0.14 0.01 1.57 3.08 -1.39 -0.59 114.38 117.15 3bh3 h ARG 7 Ca 0.02 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 3bh3 h ARG 7 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3bh3 h ARG 7 CO -0.04 0.36 -0.89 1.96 -1.07 0.00 0.00 179.97 180.30 3bh3 h GLN 8 N 0.13 0.09 0.00 0.04 4.20 -1.07 -3.27 115.11 115.23 3bh3 h GLN 8 Ca 0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3bh3 h GLN 8 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3bh3 h GLN 8 CO 0.03 0.92 -1.29 -2.13 -0.67 0.00 0.00 178.83 175.69 3bh3 n ARG 9 N -3.57 0.62 -1.73 1.46 0.63 -0.20 -4.94 116.66 108.93 3bh3 n ARG 9 Ca -0.02 0.07 -0.42 0.00 -0.92 0.00 0.00 57.85 56.56 3bh3 n ARG 9 Cb 0.83 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.95 3bh3 n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bh3 s ALA 10 N -3.32 3.62 0.16 5.13 0.00 -0.24 -4.79 121.76 122.32 3bh3 s ALA 10 Ca -0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3bh3 s ALA 10 Cb 0.10 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3bh3 s ALA 10 CO 0.82 -1.47 0.00 0.34 0.00 0.00 0.00 175.76 175.45 3bh3 n PHE 11 N 7.06 -1.26 -4.08 0.00 -0.00 -1.26 -5.01 117.46 112.90 3bh3 n PHE 11 Ca 0.19 0.22 -0.07 0.00 -0.00 0.00 0.00 57.45 57.79 3bh3 n PHE 11 Cb 0.41 0.44 -0.10 0.00 -0.00 0.00 0.00 39.48 40.23 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 -2.00 0.48 0.37 3.13 0.00 -1.26 -5.12 121.76 117.35 3bh3 s ALA 12 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 3bh3 s ALA 12 Cb 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.27 3bh3 s ALA 12 CO 0.00 -0.34 0.97 -1.64 0.00 0.00 0.00 175.76 174.75 3bh3 s MET 13 N -3.62 4.40 0.19 0.00 -1.94 -1.26 -3.31 119.30 113.77 3bh3 s MET 13 Ca 0.04 1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 55.04 3bh3 s MET 13 Cb 0.06 -2.59 -0.09 0.00 2.01 0.00 0.00 34.83 34.22 3bh3 s MET 13 CO -0.09 0.11 1.35 -2.14 -0.01 0.00 0.00 175.02 174.24 3bh3 s PRO 14 N -2.42 4.35 0.17 2.03 0.02 -1.26 -1.20 135.00 136.70 3bh3 s PRO 14 Ca 0.55 2.10 -0.10 0.00 0.02 0.00 0.00 61.00 63.58 3bh3 s PRO 14 Cb -0.17 -3.19 0.23 0.00 0.02 0.00 0.00 34.50 31.39 3bh3 s PRO 14 CO 0.22 -0.31 1.08 -0.11 -0.33 0.00 0.00 177.00 177.55 3bh3 n LEU 15 N 2.79 -0.38 -0.26 -5.54 7.94 -1.21 -0.99 117.00 119.34 3bh3 n LEU 15 Ca 0.07 1.21 0.14 0.00 -1.11 0.00 0.00 56.01 56.33 3bh3 n LEU 15 Cb 0.42 -0.31 0.62 0.00 0.53 0.00 0.00 43.42 44.68 3bh3 n LEU 15 CO 0.58 -1.11 0.90 0.35 -1.11 0.00 0.00 177.39 177.00 3bh3 n THR 16 N -5.07 0.00 -2.73 1.96 -2.24 -1.26 -4.39 114.28 100.55 3bh3 n THR 16 Ca 0.09 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 3bh3 n THR 16 Cb 0.31 0.13 0.08 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.43 -2.50 -4.63 3.42 2.88 -0.17 -5.16 113.62 107.03 3bh3 n SER 17 Ca 0.18 -3.48 -0.39 0.00 -1.33 0.00 0.00 58.87 53.85 3bh3 n SER 17 Cb 0.28 1.86 0.03 0.00 -0.75 0.00 0.00 64.21 65.64 3bh3 n SER 17 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3bh3 n PRO 18 N 0.84 1.23 0.14 -1.46 -0.02 -0.75 -4.05 135.00 130.93 3bh3 n PRO 18 Ca 0.07 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3bh3 n PRO 18 Cb 0.68 -2.17 0.52 0.00 -0.02 0.00 0.00 33.50 32.50 3bh3 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bh3 n ALA 19 N -1.07 1.43 -3.28 3.55 0.00 -0.34 -4.65 120.51 116.14 3bh3 n ALA 19 Ca 0.11 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 3bh3 n ALA 19 Cb 0.43 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 3bh3 n ALA 19 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3bh3 s PHE 20 N -3.39 -0.37 0.47 0.00 -0.12 -1.26 -4.38 117.98 108.92 3bh3 s PHE 20 Ca 0.02 0.46 0.03 0.00 -0.05 0.00 0.00 56.93 57.38 3bh3 s PHE 20 Cb 0.08 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 3bh3 s PHE 20 CO 0.31 -0.58 0.67 -1.25 -0.05 0.00 0.00 175.22 174.32 3bh3 s PRO 21 N -2.15 2.85 0.94 1.99 0.04 -1.26 -4.82 135.00 132.59 3bh3 s PRO 21 Ca -0.07 -0.77 -0.11 0.00 0.04 0.00 0.00 61.00 60.09 3bh3 s PRO 21 Cb -0.01 -2.60 0.16 0.00 0.04 0.00 0.00 34.50 32.09 3bh3 s PRO 21 CO 0.00 -0.39 1.10 -2.14 0.04 0.00 0.00 177.00 175.62 3bh3 s PRO 22 N -4.55 0.89 0.00 0.56 0.02 -1.26 -5.02 135.00 125.64 3bh3 s PRO 22 Ca 0.52 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.76 3bh3 s PRO 22 Cb -0.10 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3bh3 s PRO 22 CO 0.36 -2.62 0.00 0.41 -0.33 0.00 0.00 177.00 174.83 3bh3 n GLY 23 N -0.15 -0.18 3.77 0.52 0.00 -1.26 -4.85 105.19 103.05 3bh3 n GLY 23 Ca 0.09 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 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 3.91 -0.68 1.61 0.04 -1.26 -5.11 135.00 133.52 3bh3 s PRO 24 Ca 0.00 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 3bh3 s PRO 24 Cb 0.00 -2.60 0.06 0.00 0.04 0.00 0.00 34.50 32.00 3bh3 s PRO 24 CO 0.00 -0.46 1.03 0.71 0.04 0.00 0.00 177.00 178.33 3bh3 s TYR 25 N -1.41 2.59 -0.11 0.56 2.02 -1.26 -4.88 117.35 114.86 3bh3 s TYR 25 Ca 0.59 -0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 3bh3 s TYR 25 Cb -0.32 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 36.83 3bh3 s TYR 25 CO 0.40 -1.74 0.18 0.50 -1.57 0.00 0.00 175.55 173.31 3bh3 s ARG 26 N 4.43 3.52 -0.12 -0.62 6.06 -1.26 -1.54 118.95 129.42 3bh3 s ARG 26 Ca 0.25 -0.06 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 3bh3 s ARG 26 Cb -0.15 -3.20 0.01 0.00 0.06 0.00 0.00 34.95 31.67 3bh3 s ARG 26 CO 0.11 0.76 -0.19 -0.06 -2.50 0.00 0.00 175.30 173.42 3bh3 s PHE 27 N -1.01 2.36 -0.10 5.12 0.08 0.46 -1.77 117.98 123.12 3bh3 s PHE 27 Ca 0.16 -1.15 0.01 0.00 0.12 0.00 0.00 56.93 56.08 3bh3 s PHE 27 Cb -0.13 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3bh3 s PHE 27 CO 0.05 -0.55 -0.14 0.08 -0.10 0.00 0.00 175.22 174.56 3bh3 s VAL 28 N 0.87 2.98 -1.45 -0.44 1.01 -0.57 -1.27 120.40 121.53 3bh3 s VAL 28 Ca -0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3bh3 s VAL 28 Cb -0.15 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.07 3bh3 s VAL 28 CO -0.01 0.55 0.94 0.59 0.00 0.00 0.00 175.10 177.17 3bh3 n ASN 29 N 3.10 -4.06 -4.69 3.32 3.02 -1.03 -4.06 115.26 110.85 3bh3 n ASN 29 Ca -0.18 -0.76 -0.44 0.00 -0.03 0.00 0.00 54.58 53.18 3bh3 n ASN 29 Cb 0.53 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 3bh3 n ASN 29 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3bh3 n ARG 30 N -4.62 2.59 -4.75 3.52 0.63 0.16 -4.56 116.66 109.63 3bh3 n ARG 30 Ca -0.05 0.94 -0.33 0.00 -0.92 0.00 0.00 57.85 57.49 3bh3 n ARG 30 Cb 0.57 -2.80 -0.16 0.00 0.45 0.00 0.00 32.46 30.52 3bh3 n ARG 30 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3bh3 s GLU 31 N 2.28 3.14 -0.06 -0.14 2.12 -0.23 -1.49 118.70 124.32 3bh3 s GLU 31 Ca 0.81 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 55.37 3bh3 s GLU 31 Cb -0.55 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 3bh3 s GLU 31 CO 0.38 0.06 -0.15 0.71 -0.54 0.00 0.00 175.26 175.73 3bh3 s TYR 32 N 0.66 2.70 -0.20 5.30 1.51 -0.55 -0.16 117.35 126.61 3bh3 s TYR 32 Ca -0.09 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3bh3 s TYR 32 Cb -0.16 -1.65 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 3bh3 s TYR 32 CO 0.02 0.14 -0.16 1.41 -1.11 0.00 0.00 175.55 175.85 3bh3 s MET 33 N -0.62 2.88 -0.18 -0.62 1.75 0.32 -2.15 119.30 120.69 3bh3 s MET 33 Ca 0.09 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 53.62 3bh3 s MET 33 Cb -0.11 -2.69 0.01 0.00 2.84 0.00 0.00 34.83 34.88 3bh3 s MET 33 CO 0.01 -0.29 -0.17 0.42 -0.65 0.00 0.00 175.02 174.34 3bh3 s ILE 34 N 1.28 2.36 -0.21 10.11 1.01 0.64 -0.90 121.20 135.49 3bh3 s ILE 34 Ca 0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 3bh3 s ILE 34 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3bh3 s ILE 34 CO -0.10 0.52 0.07 -0.63 0.00 0.00 0.00 174.94 174.80 3bh3 s ILE 35 N 1.19 4.63 -0.21 2.92 -1.09 0.98 -1.26 121.20 128.36 3bh3 s ILE 35 Ca 0.02 -0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 3bh3 s ILE 35 Cb -0.14 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3bh3 s ILE 35 CO -0.08 0.40 0.04 -0.89 -1.23 0.00 0.00 174.94 173.19 3bh3 s THR 36 N 0.89 4.29 0.16 2.92 2.01 -0.62 0.67 115.64 125.96 3bh3 s THR 36 Ca 0.04 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.92 3bh3 s THR 36 Cb -0.14 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3bh3 s THR 36 CO 0.03 0.40 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.48 3bh3 s TYR 37 N 1.07 1.67 0.09 4.92 -0.85 -0.26 -0.43 117.35 123.57 3bh3 s TYR 37 Ca 0.03 -0.52 -0.24 0.00 -0.52 0.00 0.00 57.07 55.82 3bh3 s TYR 37 Cb -0.14 -0.83 -0.07 0.00 0.38 0.00 0.00 41.96 41.30 3bh3 s TYR 37 CO 0.03 0.28 0.74 0.50 -1.52 0.00 0.00 175.55 175.58 3bh3 s ARG 38 N -2.99 4.49 0.43 -3.49 3.52 -0.19 -0.83 118.95 119.90 3bh3 s ARG 38 Ca 0.15 1.06 0.03 0.00 -0.13 0.00 0.00 55.73 56.85 3bh3 s ARG 38 Cb -0.04 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 3bh3 s ARG 38 CO 0.06 0.43 0.12 -2.37 -0.81 0.00 0.00 175.30 172.73 3bh3 n THR 39 N 2.23 0.00 -2.31 4.11 5.66 -0.18 -1.66 114.28 122.13 3bh3 n THR 39 Ca -0.05 -2.42 -0.42 0.00 -3.05 0.00 0.00 64.05 58.11 3bh3 n THR 39 Cb 0.50 0.80 -0.03 0.00 -1.55 0.00 0.00 70.33 70.05 3bh3 n THR 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3bh3 s ASP 40 N -3.59 6.93 0.35 1.09 -1.08 -1.26 -4.80 116.67 114.31 3bh3 s ASP 40 Ca 0.17 2.01 0.03 0.00 -0.52 0.00 0.00 52.55 54.24 3bh3 s ASP 40 Cb 0.01 -2.56 0.67 0.00 -1.46 0.00 0.00 42.92 39.57 3bh3 s ASP 40 CO 0.12 -0.66 1.99 -0.65 0.52 0.00 0.00 175.17 176.49 3bh3 h PRO 41 N 7.64 0.81 0.00 4.34 0.11 -1.99 -1.41 132.00 141.50 3bh3 h PRO 41 Ca -0.37 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3bh3 h PRO 41 Cb 1.17 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3bh3 h PRO 41 CO 0.89 0.54 -0.14 0.00 -0.21 0.00 0.00 178.00 179.08 3bh3 h ALA 42 N 1.60 1.40 -0.00 -0.75 0.00 -1.99 -1.48 119.26 118.04 3bh3 h ALA 42 Ca 0.26 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3bh3 h ALA 42 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bh3 h ALA 42 CO -0.07 0.17 -0.88 0.00 0.00 0.00 0.00 179.25 178.48 3bh3 h ALA 43 N 1.86 0.49 -0.17 0.00 0.00 -1.61 -2.34 119.26 117.50 3bh3 h ALA 43 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 3bh3 h ALA 43 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bh3 h ALA 43 CO 0.02 0.87 -0.31 0.82 0.00 0.00 0.00 179.25 180.65 3bh3 h ILE 44 N 0.15 1.35 0.00 0.00 2.04 -1.36 -3.29 117.51 116.40 3bh3 h ILE 44 Ca -0.05 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 3bh3 h ILE 44 Cb 1.50 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.49 3bh3 h ILE 44 CO 0.14 0.47 -0.09 -0.33 0.00 0.00 0.00 178.15 178.34 3bh3 h GLU 45 N 0.16 0.00 0.00 2.37 5.08 -1.26 -1.19 114.58 119.73 3bh3 h GLU 45 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3bh3 h GLU 45 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3bh3 h GLU 45 CO 0.07 0.09 -0.12 0.00 -1.00 0.00 0.00 179.01 178.04 3bh3 h ALA 46 N 1.91 1.43 -0.00 3.43 0.00 -1.48 -3.33 119.26 121.22 3bh3 h ALA 46 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bh3 h ALA 46 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bh3 h ALA 46 CO 0.01 0.16 -0.03 1.33 0.00 0.00 0.00 179.25 180.72 3bh3 n VAL 47 N -3.86 0.00 -2.89 0.00 0.24 -0.56 -5.00 118.33 106.26 3bh3 n VAL 47 Ca -0.02 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 3bh3 n VAL 47 Cb 0.22 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.69 4.07 0.05 1.34 2.96 -0.56 -5.04 118.68 119.81 3bh3 s LEU 48 Ca 0.00 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.19 3bh3 s LEU 48 Cb 0.01 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 3bh3 s LEU 48 CO 0.03 -0.74 0.98 -2.16 -1.32 0.00 0.00 176.35 173.14 3bh3 s PRO 49 N 3.19 4.61 0.67 0.98 0.04 -1.26 -4.94 135.00 138.29 3bh3 s PRO 49 Ca 0.35 1.44 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 3bh3 s PRO 49 Cb -0.13 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3bh3 s PRO 49 CO 0.16 0.05 1.15 -1.21 0.04 0.00 0.00 177.00 177.18 3bh3 s GLU 50 N 0.61 2.62 0.00 4.56 2.02 -1.26 -1.36 118.70 125.89 3bh3 s GLU 50 Ca 0.50 1.55 0.06 0.00 0.02 0.00 0.00 54.97 57.09 3bh3 s GLU 50 Cb -0.22 -1.91 0.33 0.00 0.10 0.00 0.00 34.13 32.43 3bh3 s GLU 50 CO 0.29 -1.42 1.04 -0.35 0.02 0.00 0.00 175.26 174.84 3bh3 n PRO 51 N -2.41 0.80 -2.07 0.39 -0.04 -1.26 -5.10 135.00 125.32 3bh3 n PRO 51 Ca 0.12 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 3bh3 n PRO 51 Cb 0.51 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.22 3.98 -0.05 1.53 1.43 -0.47 -4.88 118.68 119.02 3bh3 s LEU 52 Ca 0.08 2.51 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3bh3 s LEU 52 Cb 0.04 -4.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 3bh3 s LEU 52 CO 0.06 -1.13 -0.20 -1.10 0.23 0.00 0.00 176.35 174.21 3bh3 s GLN 53 N -2.71 2.07 0.49 1.70 -1.52 -0.16 -4.80 119.66 114.73 3bh3 s GLN 53 Ca 0.65 -0.73 -0.24 0.00 -1.95 0.00 0.00 55.36 53.10 3bh3 s GLN 53 Cb -0.34 -1.79 -0.07 0.00 -0.22 0.00 0.00 33.01 30.59 3bh3 s GLN 53 CO 0.41 0.30 1.36 -0.12 -0.25 0.00 0.00 175.29 176.99 3bh3 n MET 54 N 3.05 1.93 0.00 2.91 0.00 -1.26 0.57 117.12 124.32 3bh3 n MET 54 Ca -0.18 0.70 0.00 0.00 0.00 0.00 0.00 57.70 58.22 3bh3 n MET 54 Cb 0.53 -2.55 0.00 0.00 0.00 0.00 0.00 33.22 31.19 3bh3 n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3bh3 n ALA 55 N -0.58 0.00 -1.70 -5.12 0.00 -1.22 -4.57 120.51 107.33 3bh3 n ALA 55 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 3bh3 n ALA 55 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.91 3bh3 n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bh3 s GLU 56 N 3.83 2.93 -1.07 0.00 8.01 -1.26 -4.88 118.70 126.26 3bh3 s GLU 56 Ca 0.00 1.76 -0.12 0.00 0.01 0.00 0.00 54.97 56.62 3bh3 s GLU 56 Cb 0.00 -1.93 -0.08 0.00 -4.31 0.00 0.00 34.13 27.81 3bh3 s GLU 56 CO 0.00 -1.22 2.21 -0.35 0.01 0.00 0.00 175.26 175.90 3bh3 n PRO 57 N -1.72 2.29 -4.27 0.39 -0.04 -1.26 -4.79 135.00 125.59 3bh3 n PRO 57 Ca 0.13 -1.86 -0.18 0.00 -0.04 0.00 0.00 63.50 61.54 3bh3 n PRO 57 Cb 0.50 -2.77 -0.13 0.00 -0.04 0.00 0.00 33.50 31.06 3bh3 n PRO 57 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bh3 s VAL 58 N 3.65 0.95 -0.06 0.52 1.01 -1.26 -1.01 120.40 124.21 3bh3 s VAL 58 Ca 0.51 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3bh3 s VAL 58 Cb 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3bh3 s VAL 58 CO -0.00 -0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.21 3bh3 s VAL 59 N -0.90 1.22 -0.32 2.92 1.01 -0.01 -4.23 120.40 120.09 3bh3 s VAL 59 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3bh3 s VAL 59 Cb -0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3bh3 s VAL 59 CO 0.01 0.37 0.54 -0.13 0.00 0.00 0.00 175.10 175.89 3bh3 s ARG 60 N 0.43 3.78 -0.23 2.72 0.52 0.63 -1.10 118.95 125.71 3bh3 s ARG 60 Ca -0.11 0.05 -0.08 0.00 -0.52 0.00 0.00 55.73 55.07 3bh3 s ARG 60 Cb -0.14 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.54 3bh3 s ARG 60 CO 0.03 -0.56 0.07 -0.47 0.02 0.00 0.00 175.30 174.39 3bh3 s TYR 61 N 2.43 3.15 0.06 -0.53 6.14 0.21 -0.80 117.35 128.01 3bh3 s TYR 61 Ca 0.21 -0.20 0.09 0.00 0.64 0.00 0.00 57.07 57.81 3bh3 s TYR 61 Cb -0.15 -2.19 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 3bh3 s TYR 61 CO 0.12 -0.16 -0.24 -1.83 0.64 0.00 0.00 175.55 174.08 3bh3 s GLU 62 N 1.17 1.59 -0.13 4.97 -1.05 -0.57 -0.01 118.70 124.67 3bh3 s GLU 62 Ca 0.05 -1.09 0.02 0.00 -0.15 0.00 0.00 54.97 53.79 3bh3 s GLU 62 Cb -0.14 -1.79 0.01 0.00 -0.44 0.00 0.00 34.13 31.77 3bh3 s GLU 62 CO 0.04 0.45 -0.17 -0.06 0.95 0.00 0.00 175.26 176.47 3bh3 s PHE 63 N -0.85 2.26 -0.08 4.83 0.08 -0.08 -1.59 117.98 122.55 3bh3 s PHE 63 Ca 0.10 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 56.03 3bh3 s PHE 63 Cb -0.10 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3bh3 s PHE 63 CO 0.03 -0.57 -0.12 0.42 -0.10 0.00 0.00 175.22 174.87 3bh3 s ILE 64 N 1.03 1.18 -0.13 0.64 1.01 0.36 -0.52 121.20 124.78 3bh3 s ILE 64 Ca -0.04 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 3bh3 s ILE 64 Cb -0.15 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3bh3 s ILE 64 CO -0.04 0.37 0.38 -0.13 0.00 0.00 0.00 174.94 175.52 3bh3 s ARG 65 N 0.80 4.25 -0.60 2.79 0.52 0.78 -0.20 118.95 127.28 3bh3 s ARG 65 Ca -0.12 0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.42 3bh3 s ARG 65 Cb -0.15 -3.41 0.21 0.00 0.52 0.00 0.00 34.95 32.12 3bh3 s ARG 65 CO 0.02 0.26 0.58 -1.33 0.02 0.00 0.00 175.30 174.85 3bh3 n MET 66 N 3.42 1.77 0.08 3.54 2.81 0.84 -1.06 117.12 128.52 3bh3 n MET 66 Ca -0.10 -4.24 0.09 0.00 -1.81 0.00 0.00 57.70 51.64 3bh3 n MET 66 Cb 0.52 -2.06 0.40 0.00 -0.71 0.00 0.00 33.22 31.37 3bh3 n MET 66 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3bh3 n PRO 67 N 1.54 0.11 -3.33 0.03 -0.04 -1.26 -1.43 135.00 130.62 3bh3 n PRO 67 Ca 0.25 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 64.01 3bh3 n PRO 67 Cb 0.41 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 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 -3.72 0.64 -0.17 3.54 -1.08 -1.25 -4.36 116.67 110.27 3bh3 s ASP 68 Ca 0.04 -0.88 -0.04 0.00 -0.52 0.00 0.00 52.55 51.15 3bh3 s ASP 68 Cb 0.08 0.92 0.06 0.00 -1.46 0.00 0.00 42.92 42.52 3bh3 s ASP 68 CO 0.29 -0.31 0.06 -0.44 0.52 0.00 0.00 175.17 175.29 3bh3 s SER 69 N 2.07 2.49 0.25 -0.34 0.01 -0.44 -1.52 113.70 116.23 3bh3 s SER 69 Ca 0.13 -0.64 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 3bh3 s SER 69 Cb -0.13 -0.41 -0.12 0.00 0.21 0.00 0.00 66.02 65.58 3bh3 s SER 69 CO -0.19 -0.32 1.66 0.35 0.41 0.00 0.00 173.24 175.15 3bh3 n THR 70 N 5.17 0.52 0.00 1.44 -2.24 -0.73 -0.62 114.28 117.83 3bh3 n THR 70 Ca -0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3bh3 n THR 70 Cb 0.48 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 3bh3 n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bh3 n GLY 71 N 3.04 2.98 0.11 3.38 0.00 -1.26 -4.60 105.19 108.84 3bh3 n GLY 71 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.39 0.00 0.00 1.61 3.72 -0.57 -4.53 117.46 116.30 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 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 3.13 0.45 2.87 1.37 0.00 0.21 -4.73 105.19 108.49 3bh3 n GLY 73 Ca -0.11 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 3.58 0.31 1.61 -1.08 -1.26 -1.33 116.67 114.50 3bh3 s ASP 74 Ca 0.00 -1.10 -0.02 0.00 -0.52 0.00 0.00 52.55 50.91 3bh3 s ASP 74 Cb 0.00 -0.99 0.01 0.00 -1.46 0.00 0.00 42.92 40.48 3bh3 s ASP 74 CO 0.00 -0.27 0.44 0.00 0.52 0.00 0.00 175.17 175.86 3bh3 n TYR 75 N 4.79 -1.35 -4.13 -5.34 0.18 -0.52 -4.94 117.16 105.86 3bh3 n TYR 75 Ca -0.10 -2.08 -0.11 0.00 1.88 0.00 0.00 57.90 57.48 3bh3 n TYR 75 Cb 0.45 0.49 -0.11 0.00 -0.38 0.00 0.00 39.34 39.80 3bh3 n TYR 75 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 3bh3 s SER 76 N -2.92 1.00 0.02 9.48 0.01 -1.26 -0.11 113.70 119.92 3bh3 s SER 76 Ca 0.26 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3bh3 s SER 76 Cb -0.01 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 3bh3 s SER 76 CO 0.18 -0.37 -0.03 -0.70 0.41 0.00 0.00 173.24 172.73 3bh3 s GLU 77 N -3.00 0.28 0.00 12.44 -6.30 0.73 -3.17 118.70 119.68 3bh3 s GLU 77 Ca 0.03 -0.54 0.01 0.00 -2.50 0.00 0.00 54.97 51.97 3bh3 s GLU 77 Cb -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 34.13 34.20 3bh3 s GLU 77 CO -0.03 -0.04 -0.04 0.45 0.02 0.00 0.00 175.26 175.62 3bh3 s SER 78 N -1.29 0.41 0.18 -1.70 0.15 -0.49 -0.49 113.70 110.47 3bh3 s SER 78 Ca -0.14 -0.14 -0.21 0.00 0.70 0.00 0.00 55.95 56.16 3bh3 s SER 78 Cb -0.09 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 3bh3 s SER 78 CO -0.01 -0.01 0.58 -0.83 1.20 0.00 0.00 173.24 174.17 3bh3 s GLY 79 N -0.34 -0.43 -0.15 9.45 0.00 -0.62 -0.27 107.32 114.96 3bh3 s GLY 79 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3bh3 s GLY 79 CO -0.00 0.01 -0.14 1.62 0.00 0.00 0.00 173.10 174.59 3bh3 s GLN 80 N -3.80 2.25 -0.03 2.90 0.74 0.39 -1.51 119.66 120.59 3bh3 s GLN 80 Ca 0.04 -0.59 0.05 0.00 0.05 0.00 0.00 55.36 54.91 3bh3 s GLN 80 Cb -0.01 -2.14 -0.01 0.00 1.10 0.00 0.00 33.01 31.95 3bh3 s GLN 80 CO -0.09 -0.26 -0.18 0.08 -0.55 0.00 0.00 175.29 174.28 3bh3 s VAL 81 N 1.48 1.50 -0.16 1.34 1.01 0.02 -1.47 120.40 124.12 3bh3 s VAL 81 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3bh3 s VAL 81 Cb -0.13 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3bh3 s VAL 81 CO -0.10 0.43 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 3bh3 s ILE 82 N -0.19 3.11 0.25 2.22 -1.09 -0.03 -0.27 121.20 125.19 3bh3 s ILE 82 Ca 0.01 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 57.50 3bh3 s ILE 82 Cb -0.10 -2.34 -0.13 0.00 -1.58 0.00 0.00 42.46 38.31 3bh3 s ILE 82 CO 0.01 0.49 1.56 -0.81 -1.23 0.00 0.00 174.94 174.96 3bh3 n PRO 83 N 4.00 2.44 -4.20 2.79 -0.04 -1.26 -0.13 135.00 138.61 3bh3 n PRO 83 Ca -0.18 0.87 -0.12 0.00 -0.04 0.00 0.00 63.50 64.03 3bh3 n PRO 83 Cb 0.52 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.25 3bh3 n PRO 83 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3bh3 s VAL 84 N 0.30 0.57 0.07 0.52 -7.23 -0.27 -3.37 120.40 111.00 3bh3 s VAL 84 Ca 0.69 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 3bh3 s VAL 84 Cb -0.57 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 3bh3 s VAL 84 CO 0.45 -0.61 -0.13 0.28 -0.31 0.00 0.00 175.10 174.78 3bh3 s THR 85 N -3.72 3.16 -0.19 5.32 -1.32 0.19 -0.45 115.64 118.63 3bh3 s THR 85 Ca 0.20 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.41 3bh3 s THR 85 Cb 0.06 -2.42 0.09 0.00 -1.51 0.00 0.00 72.50 68.72 3bh3 s THR 85 CO 0.01 0.21 0.36 0.12 -2.21 0.00 0.00 174.62 173.11 3bh3 s PHE 86 N -1.09 -0.69 -1.46 9.09 2.19 0.04 -0.99 117.98 125.06 3bh3 s PHE 86 Ca 0.18 1.21 -0.11 0.00 0.33 0.00 0.00 56.93 58.54 3bh3 s PHE 86 Cb -0.11 0.14 0.06 0.00 -1.31 0.00 0.00 43.02 41.80 3bh3 s PHE 86 CO 0.10 -0.50 1.04 0.54 1.83 0.00 0.00 175.22 178.23 3bh3 n ARG 87 N 5.37 -6.32 -0.98 10.12 1.74 -1.26 -1.52 116.66 123.80 3bh3 n ARG 87 Ca -0.07 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3bh3 n ARG 87 Cb 0.50 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 3bh3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bh3 n GLY 88 N -1.78 0.76 3.46 -0.13 0.00 -1.26 -5.01 105.19 101.23 3bh3 n GLY 88 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.07 3.62 0.12 1.61 2.12 -0.58 -5.10 118.70 120.42 3bh3 s GLU 89 Ca 0.00 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 3bh3 s GLU 89 Cb 0.00 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 3bh3 s GLU 89 CO 0.00 0.17 1.12 0.50 -0.54 0.00 0.00 175.26 176.51 3bh3 s ARG 90 N 0.55 4.54 0.00 4.30 3.52 -1.26 -0.78 118.95 129.81 3bh3 s ARG 90 Ca -0.03 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 3bh3 s ARG 90 Cb -0.14 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3bh3 s ARG 90 CO 0.03 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 3bh3 n GLY 91 N 2.52 3.62 3.24 8.12 0.00 0.40 -4.23 105.19 118.86 3bh3 n GLY 91 Ca 0.05 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 1.73 2.04 -0.12 1.61 1.04 -0.87 -1.11 113.70 118.01 3bh3 s SER 92 Ca 0.00 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.67 3bh3 s SER 92 Cb 0.00 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3bh3 s SER 92 CO 0.00 -0.12 -0.23 -0.47 0.98 0.00 0.00 173.24 173.40 3bh3 s TYR 93 N -2.02 2.63 -0.42 5.02 5.04 0.82 -0.67 117.35 127.75 3bh3 s TYR 93 Ca 0.08 -1.23 -0.24 0.00 -2.44 0.00 0.00 57.07 53.24 3bh3 s TYR 93 Cb -0.06 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3bh3 s TYR 93 CO 0.03 -0.54 0.84 0.99 -1.34 0.00 0.00 175.55 175.54 3bh3 s THR 94 N 0.63 4.61 -0.08 4.34 2.01 -1.13 -0.85 115.64 125.17 3bh3 s THR 94 Ca -0.12 0.74 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 3bh3 s THR 94 Cb -0.16 -4.32 -0.29 0.00 0.01 0.00 0.00 72.50 67.74 3bh3 s THR 94 CO 0.02 -0.65 0.60 0.25 -0.69 0.00 0.00 174.62 174.16 3bh3 h LEU 95 N 10.14 0.47 -7.19 4.42 5.85 -1.63 -3.44 115.31 123.93 3bh3 h LEU 95 Ca -0.24 -0.89 -0.08 0.00 0.84 0.00 0.00 57.88 57.50 3bh3 h LEU 95 Cb 1.08 -0.15 -0.21 0.00 0.37 0.00 0.00 40.66 41.75 3bh3 h LEU 95 CO 0.97 1.68 -0.03 0.00 -0.34 0.00 0.00 178.44 180.72 3bh3 s ALA 96 N -2.51 -1.37 -0.05 1.25 0.00 -1.22 -4.88 121.76 112.98 3bh3 s ALA 96 Ca -0.18 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3bh3 s ALA 96 Cb 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3bh3 s ALA 96 CO 0.80 -0.30 0.31 -1.64 0.00 0.00 0.00 175.76 174.94 3bh3 s MET 97 N -0.54 0.57 -0.02 0.00 -1.94 -1.19 -0.47 119.30 115.72 3bh3 s MET 97 Ca -0.07 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3bh3 s MET 97 Cb -0.03 0.26 0.02 0.00 2.01 0.00 0.00 34.83 37.09 3bh3 s MET 97 CO 0.04 -0.14 0.01 -0.06 -0.01 0.00 0.00 175.02 174.86 3bh3 s PHE 98 N -0.85 0.16 0.06 -0.03 0.08 0.63 -1.30 117.98 116.74 3bh3 s PHE 98 Ca -0.09 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.02 3bh3 s PHE 98 Cb -0.04 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3bh3 s PHE 98 CO 0.03 -0.08 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.48 3bh3 s LEU 99 N 0.71 2.33 -0.32 -0.37 1.02 -0.66 -1.39 118.68 119.99 3bh3 s LEU 99 Ca -0.07 -0.69 0.08 0.00 0.02 0.00 0.00 54.13 53.47 3bh3 s LEU 99 Cb -0.09 -0.20 0.51 0.00 0.02 0.00 0.00 46.19 46.43 3bh3 s LEU 99 CO -0.02 -0.25 1.51 -0.90 0.02 0.00 0.00 176.35 176.71 3bh3 n ASP 100 N 1.01 2.93 -3.68 2.29 5.75 -1.19 -2.06 116.55 121.60 3bh3 n ASP 100 Ca -0.20 -3.79 -0.10 0.00 -0.01 0.00 0.00 54.79 50.70 3bh3 n ASP 100 Cb 0.56 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.91 3bh3 n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bh3 s ASP 101 N -2.50 -0.65 -0.09 -1.12 2.15 -1.26 -4.92 116.67 108.28 3bh3 s ASP 101 Ca 0.47 1.10 -0.25 0.00 0.43 0.00 0.00 52.55 54.30 3bh3 s ASP 101 Cb 0.42 0.99 -0.21 0.00 -0.30 0.00 0.00 42.92 43.82 3bh3 s ASP 101 CO 0.01 -0.20 0.85 -0.61 -0.17 0.00 0.00 175.17 175.04 3bh3 h GLN 102 N 6.82 -0.03 -0.78 4.34 5.75 -1.93 -3.00 115.11 126.27 3bh3 h GLN 102 Ca -0.33 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.33 3bh3 h GLN 102 Cb 1.20 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.65 3bh3 h GLN 102 CO 0.24 0.68 0.30 -1.35 -2.65 0.00 0.00 178.83 176.04 3bh3 h PRO 103 N -0.86 0.40 0.00 -2.39 0.11 -1.88 0.23 132.00 127.61 3bh3 h PRO 103 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3bh3 h PRO 103 Cb 0.73 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3bh3 h PRO 103 CO 0.01 0.26 0.00 -1.00 -0.21 0.00 0.00 178.00 177.06 3bh3 h PRO 104 N 0.41 0.00 0.21 1.05 0.13 -1.85 0.11 132.00 132.06 3bh3 h PRO 104 Ca 0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.56 3bh3 h PRO 104 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3bh3 h PRO 104 CO -0.44 0.00 -0.10 1.25 -0.23 0.00 0.00 178.00 178.48 3bh3 h LEU 105 N 0.00 -0.24 -0.59 1.56 6.46 -0.54 0.42 115.31 122.37 3bh3 h LEU 105 Ca 0.00 -0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 3bh3 h LEU 105 Cb 0.63 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 3bh3 h LEU 105 CO 0.00 0.28 0.22 0.00 -0.62 0.00 0.00 178.44 178.32 3bh3 h ALA 106 N -0.48 0.77 -0.02 1.25 0.00 -0.83 -2.46 119.26 117.49 3bh3 h ALA 106 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3bh3 h ALA 106 Cb 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bh3 h ALA 106 CO 0.05 0.41 0.01 0.78 0.00 0.00 0.00 179.25 180.49 3bh3 h GLY 107 N 0.83 0.02 0.97 0.00 0.00 -0.85 -0.13 103.07 103.91 3bh3 h GLY 107 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.53 3bh3 h GLY 107 CO -0.01 0.01 0.50 -1.33 0.00 0.00 0.00 176.54 175.71 3bh3 h GLY 108 N -0.08 1.08 0.56 4.60 0.00 -0.84 -1.35 103.07 107.04 3bh3 h GLY 108 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3bh3 h GLY 108 CO -0.00 0.37 -0.01 3.21 0.00 0.00 0.00 176.54 180.11 3bh3 h ARG 109 N 1.01 0.03 0.01 4.80 3.08 -1.19 -0.39 114.38 121.71 3bh3 h ARG 109 Ca 0.29 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 60.12 3bh3 h ARG 109 Cb -0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3bh3 h ARG 109 CO -0.07 0.47 -0.98 0.93 -1.07 0.00 0.00 179.97 179.25 3bh3 h GLU 110 N -0.42 0.02 0.00 0.04 5.08 -1.01 -2.74 114.58 115.55 3bh3 h GLU 110 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3bh3 h GLU 110 Cb 0.46 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3bh3 h GLU 110 CO 0.00 0.98 -0.29 1.25 -1.00 0.00 0.00 179.01 179.95 3bh3 h LEU 111 N 0.01 0.00 0.14 1.33 5.85 -1.38 -3.44 115.31 117.82 3bh3 h LEU 111 Ca -0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 3bh3 h LEU 111 Cb 1.72 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 3bh3 h LEU 111 CO 0.13 0.46 -1.60 -0.50 -0.34 0.00 0.00 178.44 176.58 3bh3 h TRP 112 N -0.63 0.53 -0.05 1.25 6.55 -1.65 -3.48 115.95 118.48 3bh3 h TRP 112 Ca 0.00 -0.39 0.00 0.00 0.95 0.00 0.00 58.89 59.45 3bh3 h TRP 112 Cb 0.29 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 3bh3 h TRP 112 CO -0.12 1.47 0.00 0.41 -1.05 0.00 0.00 178.44 179.15 3bh3 n GLY 113 N 1.73 1.50 3.74 1.49 0.00 -0.27 -4.68 105.19 108.69 3bh3 n GLY 113 Ca -0.19 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.05 3.29 -1.56 1.61 0.08 -0.52 -4.29 117.98 114.54 3bh3 s PHE 114 Ca 0.00 1.34 -0.11 0.00 0.12 0.00 0.00 56.93 58.28 3bh3 s PHE 114 Cb 0.00 -3.55 -0.06 0.00 -0.57 0.00 0.00 43.02 38.84 3bh3 s PHE 114 CO 0.00 -1.61 2.79 -0.35 -0.10 0.00 0.00 175.22 175.95 3bh3 n PRO 115 N 2.18 3.47 -3.48 0.24 -0.04 -1.26 -3.96 135.00 132.15 3bh3 n PRO 115 Ca 0.04 -2.25 -0.38 0.00 -0.04 0.00 0.00 63.50 60.87 3bh3 n PRO 115 Cb 0.43 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 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 2.44 3.98 0.40 0.54 1.02 -1.26 -3.16 119.74 123.70 3bh3 s LYS 116 Ca 0.64 0.41 0.04 0.00 0.02 0.00 0.00 55.97 57.09 3bh3 s LYS 116 Cb 0.17 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3bh3 s LYS 116 CO -0.06 0.62 0.04 0.15 -0.92 0.00 0.00 175.35 175.18 3bh3 s LYS 117 N -0.84 1.90 0.27 1.68 1.02 -0.42 -4.99 119.74 118.36 3bh3 s LYS 117 Ca 0.24 -2.12 -0.12 0.00 0.02 0.00 0.00 55.97 53.99 3bh3 s LYS 117 Cb -0.16 -1.19 -0.08 0.00 -0.52 0.00 0.00 37.83 35.88 3bh3 s LYS 117 CO 0.13 -0.23 0.64 0.00 -0.92 0.00 0.00 175.35 174.96 3bh3 s ALA 118 N -3.02 3.45 0.12 5.17 0.00 -1.26 -1.66 121.76 124.56 3bh3 s ALA 118 Ca 0.28 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.87 3bh3 s ALA 118 Cb 0.07 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.68 3bh3 s ALA 118 CO 0.13 0.43 1.11 0.20 0.00 0.00 0.00 175.76 177.63 3bh3 s GLY 119 N -2.29 -0.01 -0.51 0.00 0.00 -0.87 -4.71 107.32 98.93 3bh3 s GLY 119 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3bh3 s GLY 119 CO 0.19 2.80 0.29 0.54 0.00 0.00 0.00 173.10 176.92 3bh3 s LYS 120 N -2.24 2.13 0.13 2.90 3.01 0.65 -3.78 119.74 122.54 3bh3 s LYS 120 Ca 0.22 -2.34 -0.21 0.00 -1.01 0.00 0.00 55.97 52.64 3bh3 s LYS 120 Cb -0.01 -3.50 -0.07 0.00 -1.01 0.00 0.00 37.83 33.23 3bh3 s LYS 120 CO 0.03 -1.10 0.65 -1.25 0.51 0.00 0.00 175.35 174.19 3bh3 s PRO 121 N 0.22 4.29 0.06 -1.68 0.05 -1.26 -1.21 135.00 135.48 3bh3 s PRO 121 Ca 0.14 0.85 0.04 0.00 0.05 0.00 0.00 61.00 62.09 3bh3 s PRO 121 Cb -0.22 -3.16 -0.03 0.00 0.05 0.00 0.00 34.50 31.14 3bh3 s PRO 121 CO -0.03 0.57 -0.13 1.03 0.05 0.00 0.00 177.00 178.49 3bh3 s ARG 122 N -1.33 0.77 -0.20 4.56 0.52 0.10 -4.79 118.95 118.58 3bh3 s ARG 122 Ca 0.34 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3bh3 s ARG 122 Cb -0.20 -0.74 0.08 0.00 0.52 0.00 0.00 34.95 34.62 3bh3 s ARG 122 CO 0.21 0.16 0.16 -1.17 0.02 0.00 0.00 175.30 174.69 3bh3 s LEU 123 N -1.58 0.13 0.02 2.53 2.96 -1.26 -1.61 118.68 119.88 3bh3 s LEU 123 Ca -0.03 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3bh3 s LEU 123 Cb -0.09 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 3bh3 s LEU 123 CO 0.02 -0.35 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.09 3bh3 s GLU 124 N 2.23 0.39 -0.09 1.98 2.02 -0.87 -4.98 118.70 119.38 3bh3 s GLU 124 Ca 0.05 -0.69 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 3bh3 s GLU 124 Cb -0.16 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 3bh3 s GLU 124 CO -0.13 -0.07 0.87 0.08 0.02 0.00 0.00 175.26 176.03 3bh3 s VAL 125 N -1.89 4.90 -0.55 2.63 1.01 -1.26 -0.84 120.40 124.41 3bh3 s VAL 125 Ca -0.12 1.77 0.03 0.00 0.00 0.00 0.00 61.98 63.66 3bh3 s VAL 125 Cb -0.07 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.26 3bh3 s VAL 125 CO -0.02 0.12 0.31 -1.00 0.00 0.00 0.00 175.10 174.51 3bh3 s HIS 126 N 1.47 3.24 0.00 5.22 3.76 0.79 -4.98 115.29 124.79 3bh3 s HIS 126 Ca 0.44 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.25 3bh3 s HIS 126 Cb -0.18 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.61 3bh3 s HIS 126 CO 0.19 -0.75 0.00 1.04 -0.85 0.00 0.00 174.74 174.37 3bh3 n GLN 127 N 3.12 0.00 0.00 1.40 3.00 -1.26 -2.25 117.38 121.40 3bh3 n GLN 127 Ca 0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.13 3bh3 n GLN 127 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.49 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 4.63 0.83 -4.37 1.08 5.75 -1.26 -4.96 116.55 118.25 3bh3 n ASP 128 Ca 0.00 -0.92 -0.32 0.00 -0.01 0.00 0.00 54.79 53.54 3bh3 n ASP 128 Cb 0.00 0.95 -0.15 0.00 -1.03 0.00 0.00 41.12 40.89 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 -2.43 2.68 -0.24 2.12 2.01 -0.95 -3.27 115.64 115.56 3bh3 s THR 129 Ca 0.07 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.99 3bh3 s THR 129 Cb 0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 3bh3 s THR 129 CO 0.62 0.56 0.81 -0.22 -0.69 0.00 0.00 174.62 175.71 3bh3 s LEU 130 N -0.21 4.09 -0.16 4.42 2.96 -0.56 -0.15 118.68 129.07 3bh3 s LEU 130 Ca -0.01 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 3bh3 s LEU 130 Cb -0.13 -3.16 0.01 0.00 0.50 0.00 0.00 46.19 43.41 3bh3 s LEU 130 CO 0.03 -0.49 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.70 3bh3 s VAL 131 N 2.73 2.27 -0.12 1.68 1.01 -0.02 -1.22 120.40 126.74 3bh3 s VAL 131 Ca 0.34 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3bh3 s VAL 131 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3bh3 s VAL 131 CO 0.08 0.53 -0.06 -0.83 0.00 0.00 0.00 175.10 174.82 3bh3 s GLY 132 N 1.04 1.69 0.04 4.51 0.00 0.47 -2.06 107.32 113.01 3bh3 s GLY 132 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3bh3 s GLY 132 CO -0.06 -0.31 -0.04 -1.35 0.00 0.00 0.00 173.10 171.34 3bh3 s SER 133 N -0.08 0.53 -0.05 1.64 1.04 -0.63 -0.36 113.70 115.78 3bh3 s SER 133 Ca 0.01 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.77 3bh3 s SER 133 Cb -0.13 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3bh3 s SER 133 CO 0.03 -0.36 -0.03 -0.22 0.98 0.00 0.00 173.24 173.63 3bh3 s LEU 134 N -1.98 1.15 -0.06 2.42 2.96 -0.36 -0.72 118.68 122.09 3bh3 s LEU 134 Ca -0.07 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3bh3 s LEU 134 Cb -0.04 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 3bh3 s LEU 134 CO -0.03 -0.09 -0.12 -1.81 -1.32 0.00 0.00 176.35 172.98 3bh3 s ASP 135 N 1.20 4.24 -0.33 3.68 -0.00 -0.35 -1.34 116.67 123.77 3bh3 s ASP 135 Ca -0.07 -0.14 -0.01 0.00 -0.00 0.00 0.00 52.55 52.34 3bh3 s ASP 135 Cb -0.14 -1.00 0.07 0.00 -0.00 0.00 0.00 42.92 41.86 3bh3 s ASP 135 CO -0.02 0.34 0.05 0.12 -0.00 0.00 0.00 175.17 175.66 3bh3 s PHE 136 N -0.69 3.43 0.00 4.23 2.19 -0.11 -0.25 117.98 126.77 3bh3 s PHE 136 Ca 0.11 -2.24 0.00 0.00 0.33 0.00 0.00 56.93 55.13 3bh3 s PHE 136 Cb -0.11 -2.50 0.00 0.00 -1.31 0.00 0.00 43.02 39.10 3bh3 s PHE 136 CO 0.01 -0.88 0.00 0.41 1.83 0.00 0.00 175.22 176.59 3bh3 n GLY 137 N 4.54 2.78 0.00 13.12 0.00 -1.26 -2.03 105.19 122.33 3bh3 n GLY 137 Ca -0.08 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.81 -3.88 1.61 -0.04 -1.26 -4.81 135.00 141.43 3bh3 n PRO 138 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3bh3 n PRO 138 Cb 0.00 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.00 3.51 -0.05 0.52 1.01 -0.86 -5.08 120.40 117.45 3bh3 s VAL 139 Ca 0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3bh3 s VAL 139 Cb 0.08 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3bh3 s VAL 139 CO 0.14 0.35 1.53 -0.60 0.00 0.00 0.00 175.10 176.53 3bh3 s ARG 140 N 1.48 4.21 -0.01 2.72 6.06 -1.26 -0.93 118.95 131.23 3bh3 s ARG 140 Ca 0.05 2.06 0.07 0.00 -2.50 0.00 0.00 55.73 55.42 3bh3 s ARG 140 Cb -0.15 -3.83 -0.10 0.00 0.06 0.00 0.00 34.95 30.93 3bh3 s ARG 140 CO -0.02 -0.76 0.21 0.44 -2.50 0.00 0.00 175.30 172.68 3bh3 n ILE 141 N 5.23 0.00 -3.72 4.11 -5.35 -0.45 -4.59 119.36 114.59 3bh3 n ILE 141 Ca 0.16 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3bh3 n ILE 141 Cb 0.43 0.55 -0.11 0.00 -1.74 0.00 0.00 39.64 38.77 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 -2.25 -0.87 -0.06 -1.28 0.00 -1.14 -0.95 121.76 115.21 3bh3 s ALA 142 Ca -0.01 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3bh3 s ALA 142 Cb 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3bh3 s ALA 142 CO 0.31 -0.22 -0.02 0.99 0.00 0.00 0.00 175.76 176.83 3bh3 s THR 143 N 0.95 0.44 0.09 0.00 2.01 0.11 -1.23 115.64 118.02 3bh3 s THR 143 Ca -0.06 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.05 3bh3 s THR 143 Cb -0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3bh3 s THR 143 CO -0.07 0.25 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.08 3bh3 s GLY 144 N 1.61 1.17 0.03 4.40 0.00 0.51 -0.31 107.32 114.74 3bh3 s GLY 144 Ca -0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.52 3bh3 s GLY 144 CO -0.04 -1.18 -0.02 -0.51 0.00 0.00 0.00 173.10 171.34 3bh3 s THR 145 N -1.12 0.13 0.02 0.90 -4.23 -0.28 -0.39 115.64 110.67 3bh3 s THR 145 Ca 0.05 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3bh3 s THR 145 Cb -0.10 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 3bh3 s THR 145 CO 0.04 -0.61 0.03 -0.04 -0.54 0.00 0.00 174.62 173.50 3bh3 s MET 146 N -2.03 0.44 0.97 3.99 -1.94 -0.35 -0.89 119.30 119.50 3bh3 s MET 146 Ca -0.11 -0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 3bh3 s MET 146 Cb -0.06 0.17 0.18 0.00 2.01 0.00 0.00 34.83 37.13 3bh3 s MET 146 CO -0.03 -0.09 1.09 0.20 -0.01 0.00 0.00 175.02 176.18 3bh3 s GLY 147 N -1.77 1.63 -0.50 -0.03 0.00 -0.60 -1.50 107.32 104.55 3bh3 s GLY 147 Ca -0.11 0.18 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 3bh3 s GLY 147 CO -0.02 0.70 0.66 -0.47 0.00 0.00 0.00 173.10 173.96 3bh3 s TYR 148 N -2.69 3.02 -1.37 1.90 5.04 -1.20 -4.58 117.35 117.47 3bh3 s TYR 148 Ca 0.66 -0.42 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 3bh3 s TYR 148 Cb -0.22 -3.56 0.03 0.00 0.35 0.00 0.00 41.96 38.56 3bh3 s TYR 148 CO 0.60 -1.04 0.84 1.63 -1.34 0.00 0.00 175.55 176.23 3bh3 n LYS 149 N 6.31 -5.43 -0.09 4.97 5.02 -1.26 -4.91 118.16 122.76 3bh3 n LYS 149 Ca -0.05 0.64 -0.08 0.00 -2.02 0.00 0.00 58.31 56.80 3bh3 n LYS 149 Cb 0.46 -5.37 -0.01 0.00 -0.02 0.00 0.00 35.03 30.09 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 -2.00 0.37 -3.09 2.13 0.99 -1.80 -3.45 116.97 110.12 3bh3 h TYR 150 Ca -0.60 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.01 3bh3 h TYR 150 Cb 1.36 -0.12 -0.22 0.00 1.00 0.00 0.00 36.73 38.75 3bh3 h TYR 150 CO 0.50 0.23 -0.33 -1.83 -0.00 0.00 0.00 178.16 176.72 3bh3 s GLU 151 N -6.17 0.55 0.53 4.88 -1.05 -0.94 -5.01 118.70 111.49 3bh3 s GLU 151 Ca -0.13 -0.04 -0.21 0.00 -0.15 0.00 0.00 54.97 54.44 3bh3 s GLU 151 Cb 0.10 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.98 3bh3 s GLU 151 CO 0.71 -0.13 1.26 0.00 0.95 0.00 0.00 175.26 178.05 3bh3 s ALA 152 N -0.89 2.81 -0.01 -0.84 0.00 -1.26 -0.90 121.76 120.67 3bh3 s ALA 152 Ca -0.10 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3bh3 s ALA 152 Cb -0.05 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3bh3 s ALA 152 CO 0.03 -1.08 0.03 -1.17 0.00 0.00 0.00 175.76 173.57 3bh3 s LEU 153 N -3.47 3.67 -0.39 0.00 0.20 -0.45 -4.68 118.68 113.56 3bh3 s LEU 153 Ca 0.70 0.06 -0.29 0.00 0.69 0.00 0.00 54.13 55.29 3bh3 s LEU 153 Cb -0.34 -2.10 -0.08 0.00 -0.43 0.00 0.00 46.19 43.24 3bh3 s LEU 153 CO 0.40 0.28 2.31 -0.67 -0.29 0.00 0.00 176.35 178.39 3bh3 n ASP 154 N 1.37 2.51 0.23 3.68 4.64 -1.26 -4.84 116.55 122.88 3bh3 n ASP 154 Ca -0.14 0.01 0.10 0.00 -1.38 0.00 0.00 54.79 53.38 3bh3 n ASP 154 Cb 0.53 -1.46 0.56 0.00 -1.04 0.00 0.00 41.12 39.71 3bh3 n ASP 154 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3bh3 h ARG 155 N 15.79 0.00 -0.19 -0.67 2.47 -1.96 -1.73 114.38 128.08 3bh3 h ARG 155 Ca -0.30 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.21 3bh3 h ARG 155 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.60 3bh3 h ARG 155 CO 1.07 0.21 -0.70 1.03 0.56 0.00 0.00 179.97 182.14 3bh3 h SER 156 N 0.00 0.91 -0.68 7.04 0.87 -2.00 -1.91 113.55 117.79 3bh3 h SER 156 Ca -0.00 -0.56 -0.06 0.00 -1.23 0.00 0.00 61.79 59.93 3bh3 h SER 156 Cb 0.55 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3bh3 h SER 156 CO 0.03 1.35 0.17 0.00 -0.53 0.00 0.00 176.83 177.85 3bh3 h ALA 157 N 0.64 0.89 -0.11 6.23 0.00 -1.80 -2.83 119.26 122.29 3bh3 h ALA 157 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3bh3 h ALA 157 Cb 1.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3bh3 h ALA 157 CO 0.14 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.29 3bh3 h LEU 158 N 1.01 0.16 -1.69 0.00 5.85 -1.31 -1.98 115.31 117.35 3bh3 h LEU 158 Ca 0.21 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3bh3 h LEU 158 Cb 0.36 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3bh3 h LEU 158 CO 0.00 0.31 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.18 3bh3 h LEU 159 N -0.00 0.00 -0.12 2.25 3.38 -1.34 -0.04 115.31 119.44 3bh3 h LEU 159 Ca 0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 3bh3 h LEU 159 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3bh3 h LEU 159 CO -0.00 0.16 -0.98 0.00 0.09 0.00 0.00 178.44 177.70 3bh3 h ALA 160 N 1.84 0.30 -0.49 1.53 0.00 -1.37 -1.86 119.26 119.21 3bh3 h ALA 160 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3bh3 h ALA 160 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3bh3 h ALA 160 CO 0.02 0.80 0.21 1.03 0.00 0.00 0.00 179.25 181.31 3bh3 h SER 161 N 0.25 0.66 0.44 0.00 0.87 -0.64 -2.60 113.55 112.52 3bh3 h SER 161 Ca -0.09 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3bh3 h SER 161 Cb 1.63 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 3bh3 h SER 161 CO 0.17 0.63 0.00 0.18 -0.53 0.00 0.00 176.83 177.28 3bh3 n LEU 162 N -4.59 0.00 0.02 2.23 4.77 -0.09 -3.10 117.00 116.24 3bh3 n LEU 162 Ca 0.02 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 3bh3 n LEU 162 Cb 0.14 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 3bh3 n LEU 162 CO 0.37 -0.17 -0.34 0.00 -1.33 0.00 0.00 177.39 175.92 3bh3 n ALA 163 N -1.39 3.18 -1.53 -1.18 0.00 -0.71 -4.30 120.51 114.58 3bh3 n ALA 163 Ca 0.06 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 3bh3 n ALA 163 Cb 0.16 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 18.79 3bh3 n ALA 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3bh3 s GLU 164 N -3.34 2.86 0.54 0.00 -1.05 -1.12 -4.95 118.70 111.65 3bh3 s GLU 164 Ca -0.02 1.36 -0.20 0.00 -0.15 0.00 0.00 54.97 55.97 3bh3 s GLU 164 Cb 0.14 -1.96 -0.06 0.00 -0.44 0.00 0.00 34.13 31.81 3bh3 s GLU 164 CO 0.86 -1.20 1.16 -1.25 0.95 0.00 0.00 175.26 175.78 3bh3 s PRO 165 N -4.10 3.35 -0.18 -4.83 0.04 -1.26 -4.82 135.00 123.20 3bh3 s PRO 165 Ca 0.66 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3bh3 s PRO 165 Cb -0.20 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3bh3 s PRO 165 CO 0.41 -0.88 -0.16 -0.80 0.04 0.00 0.00 177.00 175.62 3bh3 s ASN 166 N -1.61 3.22 -0.04 6.66 0.01 -0.62 -2.05 114.94 120.50 3bh3 s ASN 166 Ca 0.72 -0.74 -0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3bh3 s ASN 166 Cb -0.27 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 3bh3 s ASN 166 CO 0.31 -0.06 0.07 -0.36 -1.51 0.00 0.00 177.10 175.55 3bh3 s PHE 167 N 1.34 3.30 0.01 2.20 0.08 0.16 -0.82 117.98 124.24 3bh3 s PHE 167 Ca 0.02 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3bh3 s PHE 167 Cb -0.14 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3bh3 s PHE 167 CO -0.11 0.56 -0.01 -0.51 -0.10 0.00 0.00 175.22 175.05 3bh3 s LEU 168 N -1.47 2.08 -0.47 -0.37 1.43 -0.14 -2.86 118.68 116.87 3bh3 s LEU 168 Ca 0.20 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 3bh3 s LEU 168 Cb -0.12 0.02 0.06 0.00 0.03 0.00 0.00 46.19 46.19 3bh3 s LEU 168 CO 0.10 -0.09 0.44 -0.22 0.23 0.00 0.00 176.35 176.81 3bh3 s LEU 169 N -0.46 5.44 -0.20 1.79 2.96 -1.26 -0.64 118.68 126.30 3bh3 s LEU 169 Ca -0.05 -1.20 -0.22 0.00 -0.22 0.00 0.00 54.13 52.45 3bh3 s LEU 169 Cb -0.03 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3bh3 s LEU 169 CO -0.00 -0.68 0.69 -0.75 -1.32 0.00 0.00 176.35 174.28 3bh3 s LYS 170 N 1.86 4.22 -0.05 1.98 2.20 0.59 -4.89 119.74 125.64 3bh3 s LYS 170 Ca 0.07 0.72 0.03 0.00 -0.36 0.00 0.00 55.97 56.43 3bh3 s LYS 170 Cb -0.23 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3bh3 s LYS 170 CO 0.08 -0.30 -0.15 0.42 -0.36 0.00 0.00 175.35 175.05 3bh3 s ILE 171 N 2.09 1.30 -0.04 5.43 1.01 -1.26 -1.39 121.20 128.34 3bh3 s ILE 171 Ca 0.31 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 3bh3 s ILE 171 Cb -0.16 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.20 3bh3 s ILE 171 CO 0.10 0.38 0.02 -0.63 0.00 0.00 0.00 174.94 174.81 3bh3 s ILE 172 N 0.29 0.11 0.50 2.92 -1.09 -0.61 -4.97 121.20 118.35 3bh3 s ILE 172 Ca -0.08 0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.31 3bh3 s ILE 172 Cb -0.13 -0.26 -0.07 0.00 -1.58 0.00 0.00 42.46 40.42 3bh3 s ILE 172 CO 0.03 0.16 1.15 -2.16 -1.23 0.00 0.00 174.94 172.89 3bh3 s PRO 173 N 1.42 3.54 0.73 2.79 0.04 -1.26 -0.47 135.00 141.79 3bh3 s PRO 173 Ca -0.04 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 3bh3 s PRO 173 Cb -0.13 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3bh3 s PRO 173 CO -0.03 -0.72 1.10 -1.58 0.04 0.00 0.00 177.00 175.82 3bh3 s HIS 174 N -1.65 3.19 0.55 0.56 2.46 0.18 -4.54 115.29 116.04 3bh3 s HIS 174 Ca 0.68 1.06 0.33 0.00 0.47 0.00 0.00 55.06 57.60 3bh3 s HIS 174 Cb -0.26 -3.11 1.48 0.00 -0.13 0.00 0.00 32.58 30.56 3bh3 s HIS 174 CO 0.31 -1.35 1.83 -0.39 -2.47 0.00 0.00 174.74 172.67 3bh3 h VAL 175 N -0.78 0.43 -0.01 0.89 -1.51 -1.98 -0.11 116.25 113.18 3bh3 h VAL 175 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3bh3 h VAL 175 Cb 1.26 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3bh3 h VAL 175 CO 0.63 0.00 -0.15 -0.90 -1.23 0.00 0.00 177.57 175.92 3bh3 n ASP 176 N -4.07 1.16 0.00 4.19 5.75 -1.26 -4.93 116.55 117.40 3bh3 n ASP 176 Ca 0.19 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 3bh3 n ASP 176 Cb 1.04 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 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 1.27 1.67 3.81 6.12 0.00 -0.06 -5.07 105.19 112.93 3bh3 n GLY 177 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.81 6.09 0.21 1.61 1.04 -1.26 -4.71 113.70 114.87 3bh3 s SER 178 Ca 0.00 1.78 -0.31 0.00 0.48 0.00 0.00 55.95 57.90 3bh3 s SER 178 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 3bh3 s SER 178 CO 0.00 -0.96 1.51 -2.84 0.98 0.00 0.00 173.24 171.93 3bh3 s PRO 179 N -3.91 4.23 -0.16 4.02 0.02 -1.26 0.49 135.00 138.44 3bh3 s PRO 179 Ca 0.63 2.34 0.18 0.00 0.02 0.00 0.00 61.00 64.18 3bh3 s PRO 179 Cb -0.15 -3.13 -0.26 0.00 0.02 0.00 0.00 34.50 30.99 3bh3 s PRO 179 CO 0.32 -0.52 0.14 -2.13 -0.33 0.00 0.00 177.00 174.48 3bh3 n ARG 180 N 3.08 0.77 -4.28 5.54 3.00 0.39 -4.63 116.66 120.53 3bh3 n ARG 180 Ca 0.10 -0.04 -0.21 0.00 -0.00 0.00 0.00 57.85 57.70 3bh3 n ARG 180 Cb 0.39 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.19 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 -2.66 0.68 -0.33 5.15 1.01 -0.65 -4.97 121.20 119.43 3bh3 s ILE 181 Ca -0.09 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3bh3 s ILE 181 Cb 0.07 -0.66 0.18 0.00 0.01 0.00 0.00 42.46 42.07 3bh3 s ILE 181 CO 0.82 0.25 0.55 0.00 0.00 0.00 0.00 174.94 176.56 3bh3 s GLU 183 N 2.44 0.88 -0.03 0.00 -1.05 -0.48 -0.70 118.70 119.76 3bh3 s GLU 183 Ca 0.12 0.30 -0.27 0.00 -0.15 0.00 0.00 54.97 54.97 3bh3 s GLU 183 Cb -0.09 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 3bh3 s GLU 183 CO -0.21 -0.24 0.85 -0.51 0.95 0.00 0.00 175.26 176.11 3bh3 s LEU 184 N -0.85 4.35 -0.06 1.83 1.43 0.20 -0.30 118.68 125.29 3bh3 s LEU 184 Ca -0.09 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 3bh3 s LEU 184 Cb -0.02 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3bh3 s LEU 184 CO 0.06 -0.19 -0.23 -0.69 0.23 0.00 0.00 176.35 175.53 3bh3 s VAL 185 N 0.87 1.94 -0.15 -1.59 1.01 0.19 -0.50 120.40 122.16 3bh3 s VAL 185 Ca 0.45 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3bh3 s VAL 185 Cb -0.20 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3bh3 s VAL 185 CO 0.24 0.54 -0.07 -0.60 0.00 0.00 0.00 175.10 175.20 3bh3 s ARG 186 N -0.10 3.56 0.09 2.72 3.52 0.62 -0.97 118.95 128.39 3bh3 s ARG 186 Ca -0.05 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3bh3 s ARG 186 Cb -0.14 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3bh3 s ARG 186 CO 0.04 0.22 -0.06 1.52 -0.81 0.00 0.00 175.30 176.21 3bh3 s TYR 187 N 0.38 0.83 0.11 5.12 1.13 0.00 0.21 117.35 125.14 3bh3 s TYR 187 Ca -0.07 -0.93 0.06 0.00 -1.41 0.00 0.00 57.07 54.73 3bh3 s TYR 187 Cb -0.15 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.18 3bh3 s TYR 187 CO 0.04 -0.18 -0.15 -1.01 -2.51 0.00 0.00 175.55 171.74 3bh3 s HIS 188 N -3.61 1.41 -0.25 -3.49 3.76 -1.26 -1.59 115.29 110.25 3bh3 s HIS 188 Ca 0.11 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 3bh3 s HIS 188 Cb 0.05 -0.75 -0.05 0.00 1.11 0.00 0.00 32.58 32.95 3bh3 s HIS 188 CO -0.05 0.14 0.19 0.95 -0.85 0.00 0.00 174.74 175.11 3bh3 s THR 189 N -1.93 5.33 0.00 1.30 -4.23 -1.26 -1.56 115.64 113.30 3bh3 s THR 189 Ca 0.07 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3bh3 s THR 189 Cb -0.06 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3bh3 s THR 189 CO 0.03 0.30 0.00 0.35 -0.54 0.00 0.00 174.62 174.76 3bh3 n THR 190 N 4.60 0.00 -4.44 3.99 -2.24 -0.40 -4.66 114.28 111.13 3bh3 n THR 190 Ca -0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 3bh3 n THR 190 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.13 -2.14 -4.69 3.42 8.00 -1.26 -1.31 116.55 117.43 3bh3 n ASP 191 Ca 0.00 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 3bh3 n ASP 191 Cb 0.00 -1.95 -0.03 0.00 -0.02 0.00 0.00 41.12 39.12 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 -3.31 4.17 -0.19 2.53 1.01 -1.26 -4.40 120.40 118.94 3bh3 s VAL 192 Ca 0.77 1.52 0.01 0.00 0.00 0.00 0.00 61.98 64.28 3bh3 s VAL 192 Cb -0.44 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.00 3bh3 s VAL 192 CO 1.00 0.03 -0.12 0.00 0.00 0.00 0.00 175.10 176.00 3bh3 s ALA 193 N 1.96 2.08 -0.13 5.51 0.00 -0.61 -4.98 121.76 125.59 3bh3 s ALA 193 Ca 0.57 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3bh3 s ALA 193 Cb -0.26 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 3bh3 s ALA 193 CO 0.24 -0.71 1.18 0.42 0.00 0.00 0.00 175.76 176.89 3bh3 s ILE 194 N 1.37 4.39 -0.19 0.00 -1.09 -1.26 -1.49 121.20 122.92 3bh3 s ILE 194 Ca 0.00 1.69 0.22 0.00 -2.23 0.00 0.00 60.65 60.33 3bh3 s ILE 194 Cb -0.16 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 3bh3 s ILE 194 CO -0.09 -0.08 0.94 0.29 -1.23 0.00 0.00 174.94 174.77 3bh3 n LYS 195 N 5.87 0.61 0.00 2.79 5.02 0.12 -4.98 118.16 127.59 3bh3 n LYS 195 Ca 0.12 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3bh3 n LYS 195 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3bh3 n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bh3 n GLY 196 N 1.22 1.09 3.64 0.72 0.00 -1.15 -4.96 105.19 105.75 3bh3 n GLY 196 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3bh3 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bh3 s ALA 197 N -2.00 -1.90 0.06 4.61 0.00 -1.26 -0.82 121.76 120.45 3bh3 s ALA 197 Ca 0.00 2.42 -0.05 0.00 0.00 0.00 0.00 51.96 54.33 3bh3 s ALA 197 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3bh3 s ALA 197 CO 0.00 -0.38 0.07 -1.58 0.00 0.00 0.00 175.76 173.87 3bh3 s TRP 198 N 1.64 0.33 0.36 0.00 0.51 0.28 -1.34 118.94 120.73 3bh3 s TRP 198 Ca -0.10 -0.78 0.07 0.00 -2.12 0.00 0.00 56.10 53.17 3bh3 s TRP 198 Cb -0.05 -0.22 -0.07 0.00 -0.81 0.00 0.00 33.47 32.32 3bh3 s TRP 198 CO -0.20 -0.43 -0.01 -1.54 -0.51 0.00 0.00 176.95 174.26 3bh3 s SER 199 N -2.73 3.43 -0.12 2.95 1.04 -0.08 -1.18 113.70 117.02 3bh3 s SER 199 Ca 0.04 -1.31 -0.33 0.00 0.48 0.00 0.00 55.95 54.82 3bh3 s SER 199 Cb 0.05 -0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.00 3bh3 s SER 199 CO -0.09 -0.41 1.26 0.00 0.98 0.00 0.00 173.24 174.98 3bh3 s ALA 200 N -2.84 -2.17 0.73 5.32 0.00 -1.25 -2.21 121.76 119.35 3bh3 s ALA 200 Ca 0.34 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 3bh3 s ALA 200 Cb 0.07 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.32 3bh3 s ALA 200 CO 0.16 -0.81 1.25 -1.25 0.00 0.00 0.00 175.76 175.12 3bh3 s PRO 201 N -2.39 2.07 0.15 0.00 0.04 -1.26 -4.33 135.00 129.27 3bh3 s PRO 201 Ca 0.12 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 3bh3 s PRO 201 Cb 0.02 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 3bh3 s PRO 201 CO -0.04 -1.93 0.15 0.20 0.04 0.00 0.00 177.00 175.42 3bh3 s GLY 202 N -1.76 0.79 0.03 0.56 0.00 -1.26 -1.56 107.32 104.12 3bh3 s GLY 202 Ca 0.78 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 3bh3 s GLY 202 CO 0.45 -1.15 0.21 -1.35 0.00 0.00 0.00 173.10 171.27 3bh3 s SER 203 N -3.02 -0.00 -0.02 1.64 1.04 -0.07 -4.96 113.70 108.31 3bh3 s SER 203 Ca 0.21 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 3bh3 s SER 203 Cb 0.06 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.48 3bh3 s SER 203 CO 0.01 -0.54 0.06 -0.22 0.98 0.00 0.00 173.24 173.53 3bh3 s LEU 204 N -1.97 1.62 -0.03 2.42 2.96 -1.26 -1.13 118.68 121.29 3bh3 s LEU 204 Ca -0.07 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3bh3 s LEU 204 Cb -0.02 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.84 3bh3 s LEU 204 CO -0.03 -0.04 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.15 3bh3 s GLU 205 N 0.26 1.18 0.07 1.98 2.12 0.58 -5.00 118.70 119.89 3bh3 s GLU 205 Ca -0.02 -0.36 0.10 0.00 0.36 0.00 0.00 54.97 55.05 3bh3 s GLU 205 Cb -0.03 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.26 3bh3 s GLU 205 CO -0.01 0.11 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.06 3bh3 s LEU 206 N 0.26 2.24 0.07 2.70 1.43 -1.26 -0.71 118.68 123.42 3bh3 s LEU 206 Ca -0.05 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3bh3 s LEU 206 Cb -0.10 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 3bh3 s LEU 206 CO 0.01 0.23 -0.22 -1.00 0.23 0.00 0.00 176.35 175.61 3bh3 s HIS 207 N -0.89 1.88 0.57 0.29 3.76 -0.13 -4.93 115.29 115.85 3bh3 s HIS 207 Ca 0.13 -0.39 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 3bh3 s HIS 207 Cb -0.10 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 3bh3 s HIS 207 CO 0.03 0.16 1.11 -1.25 -0.85 0.00 0.00 174.74 173.94 3bh3 s PRO 208 N -1.55 3.26 -0.17 8.40 0.04 -1.26 -4.36 135.00 139.36 3bh3 s PRO 208 Ca 0.08 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.42 3bh3 s PRO 208 Cb -0.09 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.49 3bh3 s PRO 208 CO 0.03 -0.90 0.52 -1.58 0.04 0.00 0.00 177.00 175.11 3bh3 s HIS 209 N -2.00 -0.55 0.36 0.56 2.46 -1.26 -4.96 115.29 109.90 3bh3 s HIS 209 Ca 0.70 1.28 0.07 0.00 0.47 0.00 0.00 55.06 57.58 3bh3 s HIS 209 Cb -0.21 0.21 0.70 0.00 -0.13 0.00 0.00 32.58 33.14 3bh3 s HIS 209 CO 0.31 -0.32 1.89 0.00 -2.47 0.00 0.00 174.74 174.15 3bh3 h ALA 210 N 4.98 1.44 -0.01 1.58 0.00 -2.00 -3.17 119.26 122.08 3bh3 h ALA 210 Ca -0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3bh3 h ALA 210 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3bh3 h ALA 210 CO 0.21 0.39 -0.19 1.28 0.00 0.00 0.00 179.25 180.95 3bh3 n LEU 211 N -4.27 1.27 -3.19 0.00 4.32 -1.26 -4.66 117.00 109.20 3bh3 n LEU 211 Ca 0.00 -0.78 -0.22 0.00 -0.02 0.00 0.00 56.01 54.99 3bh3 n LEU 211 Cb 0.27 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.01 3bh3 n LEU 211 CO 0.38 0.25 -0.27 0.00 -1.22 0.00 0.00 177.39 176.54 3bh3 n ALA 212 N -0.19 2.31 -0.96 -1.18 0.00 -1.20 -5.03 120.51 114.26 3bh3 n ALA 212 Ca 0.04 -3.43 -0.11 0.00 0.00 0.00 0.00 53.44 49.94 3bh3 n ALA 212 Cb 0.21 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 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 0.98 1.92 0.27 0.00 -0.04 -1.20 -4.20 135.00 132.73 3bh3 n PRO 213 Ca 0.23 -0.96 0.12 0.00 -0.04 0.00 0.00 63.50 62.85 3bh3 n PRO 213 Cb 0.58 -1.97 0.76 0.00 -0.04 0.00 0.00 33.50 32.83 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 2.02 0.73 0.00 0.52 -1.51 -1.86 -2.51 116.25 113.64 3bh3 h VAL 214 Ca 0.18 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3bh3 h VAL 214 Cb 1.47 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 3bh3 h VAL 214 CO 0.23 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 3bh3 n ALA 215 N -2.39 1.80 0.27 5.19 0.00 -1.26 -2.56 120.51 121.55 3bh3 n ALA 215 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.51 3bh3 n ALA 215 Cb 0.13 -1.41 0.16 0.00 0.00 0.00 0.00 19.45 18.33 3bh3 n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bh3 n ALA 216 N -1.79 1.37 -3.70 0.00 0.00 -0.95 -3.64 120.51 111.80 3bh3 n ALA 216 Ca 0.03 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3bh3 n ALA 216 Cb 0.28 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 3bh3 n ALA 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bh3 s LEU 217 N -2.93 5.31 0.55 0.00 1.02 -1.06 -4.90 118.68 116.68 3bh3 s LEU 217 Ca 0.04 -3.08 -0.20 0.00 0.02 0.00 0.00 54.13 50.91 3bh3 s LEU 217 Cb 0.05 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 44.34 3bh3 s LEU 217 CO 0.13 -0.32 1.19 -2.84 0.02 0.00 0.00 176.35 174.53 3bh3 s PRO 218 N -0.39 3.22 -0.97 1.29 0.02 -1.24 -4.91 135.00 132.00 3bh3 s PRO 218 Ca 0.19 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 62.79 3bh3 s PRO 218 Cb -0.17 -2.04 0.10 0.00 0.02 0.00 0.00 34.50 32.40 3bh3 s PRO 218 CO -0.06 -1.00 1.27 0.08 -0.33 0.00 0.00 177.00 176.96 3bh3 s VAL 219 N -1.62 4.38 0.06 3.83 1.01 -1.26 -4.29 120.40 122.51 3bh3 s VAL 219 Ca 0.74 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3bh3 s VAL 219 Cb -0.29 -4.90 -0.20 0.00 0.00 0.00 0.00 36.38 30.99 3bh3 s VAL 219 CO 0.32 -1.69 1.21 -0.07 0.00 0.00 0.00 175.10 174.86 3bh3 h LEU 220 N 11.43 0.77 -7.09 3.92 3.38 -1.67 -3.46 115.31 122.59 3bh3 h LEU 220 Ca 0.18 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3bh3 h LEU 220 Cb 1.02 -0.23 -0.25 0.00 0.09 0.00 0.00 40.66 41.29 3bh3 h LEU 220 CO 1.25 1.35 -0.26 -0.70 0.09 0.00 0.00 178.44 180.17 3bh3 s GLU 221 N -3.48 0.44 -0.04 1.13 2.12 -1.16 -4.99 118.70 112.71 3bh3 s GLU 221 Ca -0.11 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.04 3bh3 s GLU 221 Cb 0.06 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 3bh3 s GLU 221 CO 0.87 -0.21 1.43 0.08 -0.54 0.00 0.00 175.26 176.90 3bh3 s VAL 222 N 2.40 3.78 -0.25 3.70 1.01 -1.26 -1.02 120.40 128.76 3bh3 s VAL 222 Ca -0.05 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 3bh3 s VAL 222 Cb -0.11 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 3bh3 s VAL 222 CO -0.15 -0.04 -0.15 0.18 0.00 0.00 0.00 175.10 174.94 3bh3 n LEU 223 N 6.01 2.11 -3.97 3.92 4.77 0.43 -4.96 117.00 125.32 3bh3 n LEU 223 Ca 0.14 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3bh3 n LEU 223 Cb 0.44 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3bh3 n LEU 223 CO 0.59 0.57 0.26 -0.94 -1.33 0.00 0.00 177.39 176.54 3bh3 s SER 224 N -7.18 0.01 -0.13 -1.43 1.04 -1.01 -5.01 113.70 99.99 3bh3 s SER 224 Ca -0.35 -0.96 -0.09 0.00 0.48 0.00 0.00 55.95 55.03 3bh3 s SER 224 Cb 0.11 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.93 3bh3 s SER 224 CO 0.55 -1.25 0.32 0.00 0.98 0.00 0.00 173.24 173.84 3bh3 s ALA 225 N -3.71 -0.80 0.04 5.32 0.00 -1.26 -1.59 121.76 119.76 3bh3 s ALA 225 Ca 0.21 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3bh3 s ALA 225 Cb -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3bh3 s ALA 225 CO 0.10 -0.19 -0.06 -0.98 0.00 0.00 0.00 175.76 174.63 3bh3 s ARG 226 N 0.79 0.45 -0.06 0.00 1.70 -0.39 -3.77 118.95 117.68 3bh3 s ARG 226 Ca -0.05 -0.73 -0.01 0.00 -0.47 0.00 0.00 55.73 54.47 3bh3 s ARG 226 Cb -0.06 -0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.23 3bh3 s ARG 226 CO -0.06 0.00 0.00 -1.58 -1.08 0.00 0.00 175.30 172.59 3bh3 s HIS 227 N -1.54 0.56 0.15 5.89 5.65 -0.33 -0.26 115.29 125.41 3bh3 s HIS 227 Ca -0.11 -0.10 -0.08 0.00 0.25 0.00 0.00 55.06 55.02 3bh3 s HIS 227 Cb -0.09 -0.69 -0.01 0.00 -1.18 0.00 0.00 32.58 30.61 3bh3 s HIS 227 CO -0.01 -0.27 0.24 -0.59 -0.65 0.00 0.00 174.74 173.47 3bh3 s PHE 228 N 1.72 0.43 -0.02 3.88 -0.71 -0.91 -0.55 117.98 121.82 3bh3 s PHE 228 Ca 0.01 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.13 3bh3 s PHE 228 Cb -0.13 -0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 41.57 3bh3 s PHE 228 CO -0.04 -0.67 -0.14 0.08 -1.34 0.00 0.00 175.22 173.11 3bh3 s VAL 229 N -3.97 1.11 0.16 -2.49 1.01 -0.00 -1.49 120.40 114.74 3bh3 s VAL 229 Ca 0.17 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3bh3 s VAL 229 Cb 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.51 3bh3 s VAL 229 CO -0.01 0.32 0.48 0.00 0.00 0.00 0.00 175.10 175.90 3bh3 s ASP 231 N -2.83 6.39 0.30 0.00 1.01 -0.56 -0.67 116.67 120.32 3bh3 s ASP 231 Ca 0.05 0.36 -0.15 0.00 0.71 0.00 0.00 52.55 53.52 3bh3 s ASP 231 Cb 0.00 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.94 3bh3 s ASP 231 CO -0.08 0.24 0.64 -1.48 0.21 0.00 0.00 175.17 174.69 3bh3 s LEU 232 N -2.05 0.11 -0.14 1.23 2.34 -0.40 -1.57 118.68 118.20 3bh3 s LEU 232 Ca 0.29 -0.92 0.02 0.00 0.06 0.00 0.00 54.13 53.58 3bh3 s LEU 232 Cb -0.13 2.34 0.00 0.00 -0.56 0.00 0.00 46.19 47.85 3bh3 s LEU 232 CO 0.20 -1.36 -0.19 -0.89 -1.06 0.00 0.00 176.35 173.05 3bh3 s THR 233 N -3.49 2.33 -0.67 5.48 2.01 -0.43 -0.41 115.64 120.47 3bh3 s THR 233 Ca 0.17 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 3bh3 s THR 233 Cb -0.04 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.56 3bh3 s THR 233 CO 0.10 0.54 1.20 -0.22 -0.69 0.00 0.00 174.62 175.54 3bh3 s LEU 234 N 0.77 3.43 0.55 4.42 0.20 -0.59 -1.27 118.68 126.20 3bh3 s LEU 234 Ca -0.07 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.25 3bh3 s LEU 234 Cb -0.16 -2.75 -0.05 0.00 -0.43 0.00 0.00 46.19 42.80 3bh3 s LEU 234 CO -0.00 -1.65 1.05 -1.81 -0.29 0.00 0.00 176.35 173.65 3bh3 s ASP 235 N 3.43 6.01 0.33 3.68 -0.00 -0.60 -4.25 116.67 125.27 3bh3 s ASP 235 Ca 0.36 1.85 -0.28 0.00 -0.00 0.00 0.00 52.55 54.48 3bh3 s ASP 235 Cb -0.09 -2.54 -0.13 0.00 -0.00 0.00 0.00 42.92 40.16 3bh3 s ASP 235 CO 0.18 -1.01 1.20 0.18 -0.00 0.00 0.00 175.17 175.72 3bh3 n LEU 236 N -1.65 2.99 -4.94 1.23 4.77 -1.26 -4.49 117.00 113.65 3bh3 n LEU 236 Ca 0.09 1.20 -0.27 0.00 -0.03 0.00 0.00 56.01 56.99 3bh3 n LEU 236 Cb 0.53 -1.42 0.13 0.00 -2.33 0.00 0.00 43.42 40.33 3bh3 n LEU 236 CO 0.45 -0.78 0.74 -0.83 -1.33 0.00 0.00 177.39 175.63 3bh3 s GLY 237 N -0.39 1.73 0.04 -0.72 0.00 -1.26 -4.73 107.32 101.99 3bh3 s GLY 237 Ca 0.56 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 44.15 3bh3 s GLY 237 CO 0.61 -0.57 -0.14 -0.51 0.00 0.00 0.00 173.10 172.49 3bh3 s THR 238 N -3.54 1.14 0.11 0.90 -4.23 0.13 -4.91 115.64 105.23 3bh3 s THR 238 Ca 0.68 -1.00 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 3bh3 s THR 238 Cb -0.07 -1.03 -0.08 0.00 1.34 0.00 0.00 72.50 72.67 3bh3 s THR 238 CO 0.49 0.02 1.40 -0.69 -0.54 0.00 0.00 174.62 175.30 3bh3 s VAL 239 N -0.84 3.31 -0.22 2.29 1.01 -1.26 -0.27 120.40 124.42 3bh3 s VAL 239 Ca 0.02 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.96 3bh3 s VAL 239 Cb -0.08 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3bh3 s VAL 239 CO 0.01 0.07 0.26 1.33 0.00 0.00 0.00 175.10 176.77 3bh3 n VAL 240 N 4.00 0.00 -3.23 2.92 0.24 0.34 -4.89 118.33 117.71 3bh3 n VAL 240 Ca 0.12 -0.45 0.04 0.00 -2.04 0.00 0.00 64.34 62.00 3bh3 n VAL 240 Cb 0.42 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 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 -1.00 -1.05 -0.35 6.34 5.36 -1.15 -4.97 117.98 121.15 3bh3 s PHE 241 Ca 0.02 1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 57.09 3bh3 s PHE 241 Cb 0.02 0.43 -0.00 0.00 -0.34 0.00 0.00 43.02 43.13 3bh3 s PHE 241 CO 0.10 -0.56 0.45 0.34 -1.46 0.00 0.00 175.22 174.08 3bh3 s ASP 242 N 2.83 6.25 0.23 6.13 -1.08 -1.26 0.61 116.67 130.38 3bh3 s ASP 242 Ca 0.07 -0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.17 3bh3 s ASP 242 Cb -0.12 -2.24 0.93 0.00 -1.46 0.00 0.00 42.92 40.04 3bh3 s ASP 242 CO -0.17 -0.43 1.70 -1.22 0.52 0.00 0.00 175.17 175.57 3bh3 n TYR 243 N 5.59 0.75 0.95 -5.34 4.01 0.12 -5.00 117.16 118.24 3bh3 n TYR 243 Ca -0.07 0.28 0.11 0.00 -0.16 0.00 0.00 57.90 58.07 3bh3 n TYR 243 Cb 0.49 -0.96 0.10 0.00 -0.31 0.00 0.00 39.34 38.66 3bh3 n TYR 243 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68