#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 1.86 0.00 2.12 1.02 -1.26 -4.79 119.74 118.69 3bh3 s LYS 2 Ca 0.00 1.53 0.21 0.00 0.02 0.00 0.00 55.97 57.73 3bh3 s LYS 2 Cb 0.00 -1.82 1.06 0.00 -0.52 0.00 0.00 37.83 36.55 3bh3 s LYS 2 CO 0.00 -2.00 1.68 0.00 -0.92 0.00 0.00 175.35 174.11 3bh3 n GLN 3 N -3.35 0.28 0.06 1.68 10.64 -1.26 -2.22 117.38 123.21 3bh3 n GLN 3 Ca 0.12 0.09 -0.16 0.00 -1.83 0.00 0.00 57.00 55.21 3bh3 n GLN 3 Cb 0.52 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.25 3bh3 n GLN 3 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3bh3 h GLN 4 N 0.00 0.23 -0.50 2.61 5.75 -1.99 -3.18 115.11 118.03 3bh3 h GLN 4 Ca 0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 58.65 58.03 3bh3 h GLN 4 Cb 0.21 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3bh3 h GLN 4 CO 0.00 1.08 -0.01 1.49 -2.65 0.00 0.00 178.83 178.74 3bh3 h GLU 5 N 0.06 0.84 -0.87 1.69 4.81 -1.80 -2.03 114.58 117.27 3bh3 h GLU 5 Ca -0.24 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 3bh3 h GLU 5 Cb 2.01 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 31.24 3bh3 h GLU 5 CO 0.15 0.85 0.55 0.28 -0.73 0.00 0.00 179.01 180.11 3bh3 h VAL 6 N 0.78 1.10 0.00 0.32 2.07 -1.61 -0.81 116.25 118.09 3bh3 h VAL 6 Ca 0.15 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3bh3 h VAL 6 Cb 0.48 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3bh3 h VAL 6 CO 0.02 0.19 -0.45 -0.09 0.02 0.00 0.00 177.57 177.27 3bh3 h ARG 7 N 1.05 0.00 0.03 1.57 2.43 -1.46 -2.50 114.38 115.49 3bh3 h ARG 7 Ca 0.36 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3bh3 h ARG 7 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3bh3 h ARG 7 CO -0.14 0.45 -0.01 1.96 -1.51 0.00 0.00 179.97 180.71 3bh3 h GLN 8 N 0.00 -0.04 0.00 0.20 4.20 -1.10 -3.35 115.11 115.03 3bh3 h GLN 8 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3bh3 h GLN 8 Cb 1.24 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 3bh3 h GLN 8 CO 0.06 0.51 -0.05 0.00 -0.67 0.00 0.00 178.83 178.68 3bh3 h ARG 9 N -0.97 0.00 -6.32 1.46 3.08 -1.25 -3.45 114.38 106.93 3bh3 h ARG 9 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 3bh3 h ARG 9 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.64 3bh3 h ARG 9 CO 0.01 0.05 1.25 0.00 -1.07 0.00 0.00 179.97 180.21 3bh3 n ALA 10 N -2.44 1.56 0.06 0.04 0.00 -0.94 -4.79 120.51 114.00 3bh3 n ALA 10 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3bh3 n ALA 10 Cb 0.14 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 7.81 -0.87 -4.07 0.00 -0.00 -1.26 -5.03 117.46 114.04 3bh3 n PHE 11 Ca 0.21 0.15 -0.12 0.00 -0.00 0.00 0.00 57.45 57.70 3bh3 n PHE 11 Cb 0.40 0.38 -0.11 0.00 -0.00 0.00 0.00 39.48 40.15 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 0.58 0.50 3.13 0.00 -1.26 -5.13 121.76 117.59 3bh3 s ALA 12 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 3bh3 s ALA 12 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 3bh3 s ALA 12 CO 0.00 -0.08 1.14 -1.64 0.00 0.00 0.00 175.76 175.17 3bh3 s MET 13 N -2.02 3.57 0.40 0.00 -1.94 -1.26 -3.82 119.30 114.23 3bh3 s MET 13 Ca -0.06 1.66 -0.25 0.00 -1.71 0.00 0.00 55.69 55.33 3bh3 s MET 13 Cb -0.07 -2.19 -0.08 0.00 2.01 0.00 0.00 34.83 34.50 3bh3 s MET 13 CO -0.01 -0.68 1.16 -1.25 -0.01 0.00 0.00 175.02 174.23 3bh3 s PRO 14 N -3.02 4.04 0.26 2.03 0.04 -1.26 -1.23 135.00 135.86 3bh3 s PRO 14 Ca 0.68 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.49 3bh3 s PRO 14 Cb -0.25 -2.64 0.53 0.00 0.04 0.00 0.00 34.50 32.17 3bh3 s PRO 14 CO 0.30 -0.33 1.64 1.25 0.04 0.00 0.00 177.00 179.90 3bh3 h LEU 15 N 2.58 -0.23 -0.97 -3.56 5.85 -1.98 -1.60 115.31 115.40 3bh3 h LEU 15 Ca -0.49 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3bh3 h LEU 15 Cb 1.23 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3bh3 h LEU 15 CO 0.62 -0.17 -0.06 0.35 -0.34 0.00 0.00 178.44 178.85 3bh3 n THR 16 N -5.30 0.00 -2.75 1.05 -2.24 -1.26 -4.44 114.28 99.34 3bh3 n THR 16 Ca 0.16 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3bh3 n THR 16 Cb 0.54 0.59 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 0.13 -2.61 -4.68 3.42 2.88 -0.69 -5.16 113.62 106.91 3bh3 n SER 17 Ca 0.17 -3.49 -0.40 0.00 -1.33 0.00 0.00 58.87 53.82 3bh3 n SER 17 Cb 0.38 1.85 0.02 0.00 -0.75 0.00 0.00 64.21 65.71 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 1.05 1.66 0.34 -1.46 -0.02 -0.70 -4.04 135.00 131.84 3bh3 n PRO 18 Ca 0.08 0.60 0.22 0.00 -2.02 0.00 0.00 63.50 62.37 3bh3 n PRO 18 Cb 0.66 -2.31 1.17 0.00 -0.02 0.00 0.00 33.50 33.00 3bh3 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bh3 h ALA 19 N 1.72 1.06 -2.19 3.55 0.00 -1.40 -3.42 119.26 118.59 3bh3 h ALA 19 Ca -0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3bh3 h ALA 19 Cb 1.31 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.91 3bh3 h ALA 19 CO 0.58 -0.04 0.02 -0.59 0.00 0.00 0.00 179.25 179.22 3bh3 s PHE 20 N -4.17 -0.49 0.42 0.00 -0.12 -1.26 -4.46 117.98 107.90 3bh3 s PHE 20 Ca -0.05 0.86 -0.03 0.00 -0.05 0.00 0.00 56.93 57.67 3bh3 s PHE 20 Cb 0.13 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 3bh3 s PHE 20 CO 0.40 -0.52 0.68 -1.25 -0.05 0.00 0.00 175.22 174.49 3bh3 s PRO 21 N -1.15 3.48 0.84 1.99 0.04 -1.26 -4.77 135.00 134.17 3bh3 s PRO 21 Ca -0.11 -0.06 -0.10 0.00 0.04 0.00 0.00 61.00 60.76 3bh3 s PRO 21 Cb -0.02 -2.50 0.10 0.00 0.04 0.00 0.00 34.50 32.11 3bh3 s PRO 21 CO 0.07 -0.07 1.12 -1.25 0.04 0.00 0.00 177.00 176.92 3bh3 s PRO 22 N -4.56 1.67 0.00 0.56 0.04 -1.26 -5.01 135.00 126.44 3bh3 s PRO 22 Ca 0.44 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3bh3 s PRO 22 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3bh3 s PRO 22 CO 0.41 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.74 3bh3 n GLY 23 N -0.48 0.09 3.77 0.56 0.00 -1.26 -4.88 105.19 102.98 3bh3 n GLY 23 Ca 0.11 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 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 3.64 -0.83 1.61 0.04 -1.26 -5.11 135.00 133.09 3bh3 s PRO 24 Ca 0.00 1.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 3bh3 s PRO 24 Cb 0.00 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.27 3bh3 s PRO 24 CO 0.00 -0.67 1.09 0.71 0.04 0.00 0.00 177.00 178.17 3bh3 s TYR 25 N -1.51 2.89 0.11 0.56 2.02 -1.26 -4.88 117.35 115.28 3bh3 s TYR 25 Ca 0.65 -1.01 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 3bh3 s TYR 25 Cb -0.30 -4.33 -0.06 0.00 -0.40 0.00 0.00 41.96 36.87 3bh3 s TYR 25 CO 0.37 -1.59 0.50 0.50 -1.57 0.00 0.00 175.55 173.75 3bh3 s ARG 26 N 3.44 3.94 -0.11 -0.62 3.00 -1.26 -1.83 118.95 125.50 3bh3 s ARG 26 Ca 0.30 0.43 -0.00 0.00 -1.00 0.00 0.00 55.73 55.45 3bh3 s ARG 26 Cb -0.09 -3.01 0.02 0.00 0.00 0.00 0.00 34.95 31.88 3bh3 s ARG 26 CO -0.02 0.54 -0.09 -0.06 0.00 0.00 0.00 175.30 175.67 3bh3 s PHE 27 N -1.38 1.58 -0.12 5.12 0.08 0.17 -1.85 117.98 121.58 3bh3 s PHE 27 Ca 0.34 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3bh3 s PHE 27 Cb -0.15 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3bh3 s PHE 27 CO 0.18 -0.52 -0.17 0.08 -0.10 0.00 0.00 175.22 174.70 3bh3 s VAL 28 N 1.61 2.74 -1.36 -0.44 1.01 -0.66 -0.78 120.40 122.52 3bh3 s VAL 28 Ca 0.04 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 3bh3 s VAL 28 Cb -0.13 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3bh3 s VAL 28 CO -0.08 0.54 0.98 0.59 0.00 0.00 0.00 175.10 177.12 3bh3 n ASN 29 N 3.51 -6.15 -4.66 3.32 3.02 -0.92 -4.06 115.26 109.31 3bh3 n ASN 29 Ca -0.18 -0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 3bh3 n ASN 29 Cb 0.53 -4.83 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 3bh3 n ASN 29 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3bh3 s ARG 30 N -6.08 4.12 -0.13 3.52 3.52 -0.34 -4.58 118.95 118.96 3bh3 s ARG 30 Ca 0.48 2.37 0.01 0.00 -0.13 0.00 0.00 55.73 58.46 3bh3 s ARG 30 Cb -0.21 -4.09 -0.01 0.00 -1.56 0.00 0.00 34.95 29.08 3bh3 s ARG 30 CO 0.60 -0.95 -0.15 -2.00 -0.81 0.00 0.00 175.30 171.99 3bh3 s GLU 31 N 4.33 3.29 -0.06 5.12 2.12 0.51 -1.52 118.70 132.49 3bh3 s GLU 31 Ca 0.81 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 55.44 3bh3 s GLU 31 Cb -0.38 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 3bh3 s GLU 31 CO 0.36 0.14 -0.14 0.71 -0.54 0.00 0.00 175.26 175.79 3bh3 s TYR 32 N 0.51 2.73 -0.14 5.30 1.51 0.52 -0.01 117.35 127.76 3bh3 s TYR 32 Ca -0.10 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3bh3 s TYR 32 Cb -0.16 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3bh3 s TYR 32 CO 0.04 0.15 -0.15 1.41 -1.11 0.00 0.00 175.55 175.89 3bh3 s MET 33 N -0.61 2.36 -0.12 -0.62 -2.45 0.14 -1.96 119.30 116.04 3bh3 s MET 33 Ca 0.09 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 3bh3 s MET 33 Cb -0.11 -2.10 0.02 0.00 1.25 0.00 0.00 34.83 33.88 3bh3 s MET 33 CO 0.01 -0.19 -0.14 0.42 1.05 0.00 0.00 175.02 176.18 3bh3 s ILE 34 N 1.34 1.44 -0.24 10.11 1.01 0.29 -0.51 121.20 134.63 3bh3 s ILE 34 Ca 0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3bh3 s ILE 34 Cb -0.13 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3bh3 s ILE 34 CO -0.08 0.43 0.00 -0.63 0.00 0.00 0.00 174.94 174.66 3bh3 s ILE 35 N 1.21 3.71 -0.17 2.92 -1.09 0.69 -1.42 121.20 127.04 3bh3 s ILE 35 Ca -0.02 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.86 3bh3 s ILE 35 Cb -0.14 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 3bh3 s ILE 35 CO -0.05 0.36 0.18 -0.89 -1.23 0.00 0.00 174.94 173.31 3bh3 s THR 36 N 1.52 5.38 0.02 2.92 2.01 -0.69 -0.04 115.64 126.76 3bh3 s THR 36 Ca 0.05 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3bh3 s THR 36 Cb -0.15 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 3bh3 s THR 36 CO -0.01 0.45 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.63 3bh3 s TYR 37 N 0.17 0.24 -0.08 4.92 -0.85 0.87 0.18 117.35 122.80 3bh3 s TYR 37 Ca 0.12 -0.48 -0.21 0.00 -0.52 0.00 0.00 57.07 55.97 3bh3 s TYR 37 Cb -0.12 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 3bh3 s TYR 37 CO 0.01 -0.17 0.61 0.50 -1.52 0.00 0.00 175.55 174.97 3bh3 s ARG 38 N -1.33 4.39 0.49 -3.49 3.52 -0.35 -0.05 118.95 122.13 3bh3 s ARG 38 Ca -0.14 0.70 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3bh3 s ARG 38 Cb -0.09 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3bh3 s ARG 38 CO -0.01 0.12 0.04 -0.08 -0.81 0.00 0.00 175.30 174.56 3bh3 s THR 39 N 0.68 0.94 -0.10 4.11 -1.32 -0.64 -1.55 115.64 117.76 3bh3 s THR 39 Ca 0.33 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.51 3bh3 s THR 39 Cb -0.17 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.63 3bh3 s THR 39 CO 0.15 0.00 1.30 -0.62 -2.21 0.00 0.00 174.62 173.24 3bh3 s ASP 40 N -3.81 6.94 0.38 8.08 2.15 -1.26 -4.85 116.67 124.30 3bh3 s ASP 40 Ca 0.09 1.83 0.07 0.00 0.43 0.00 0.00 52.55 54.98 3bh3 s ASP 40 Cb 0.01 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 40.88 3bh3 s ASP 40 CO 0.06 -0.71 1.97 -0.65 -0.17 0.00 0.00 175.17 175.67 3bh3 h PRO 41 N 8.03 0.66 -0.51 4.34 0.11 -1.99 -0.93 132.00 141.71 3bh3 h PRO 41 Ca -0.31 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.79 3bh3 h PRO 41 Cb 1.14 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3bh3 h PRO 41 CO 0.93 0.44 0.34 0.00 -0.21 0.00 0.00 178.00 179.50 3bh3 h ALA 42 N 1.64 1.79 -0.16 -0.75 0.00 -2.00 -2.19 119.26 117.59 3bh3 h ALA 42 Ca 0.29 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3bh3 h ALA 42 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3bh3 h ALA 42 CO -0.09 0.14 -0.50 0.00 0.00 0.00 0.00 179.25 178.80 3bh3 h ALA 43 N 1.71 0.85 -0.29 0.00 0.00 -1.51 -2.61 119.26 117.41 3bh3 h ALA 43 Ca 0.21 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3bh3 h ALA 43 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3bh3 h ALA 43 CO -0.05 0.67 -0.31 0.82 0.00 0.00 0.00 179.25 180.37 3bh3 h ILE 44 N 0.34 1.28 0.00 0.00 2.04 -1.29 -3.24 117.51 116.63 3bh3 h ILE 44 Ca 0.01 -1.43 -0.16 0.00 1.00 0.00 0.00 64.86 64.28 3bh3 h ILE 44 Cb 1.00 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3bh3 h ILE 44 CO 0.09 0.46 -0.77 -0.33 0.00 0.00 0.00 178.15 177.59 3bh3 h GLU 45 N 0.52 0.00 -0.14 2.37 5.08 -1.26 -2.40 114.58 118.74 3bh3 h GLU 45 Ca 0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3bh3 h GLU 45 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3bh3 h GLU 45 CO 0.07 0.77 0.17 0.00 -1.00 0.00 0.00 179.01 179.02 3bh3 h ALA 46 N 1.23 1.71 0.00 3.43 0.00 -1.49 -3.25 119.26 120.88 3bh3 h ALA 46 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bh3 h ALA 46 Cb 1.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3bh3 h ALA 46 CO 0.10 -0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.44 3bh3 n VAL 47 N -3.73 0.00 -2.97 0.00 0.24 -1.11 -5.00 118.33 105.75 3bh3 n VAL 47 Ca 0.01 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 3bh3 n VAL 47 Cb 0.28 1.00 -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 -1.82 4.09 -0.21 1.34 2.96 -0.92 -5.03 118.68 119.09 3bh3 s LEU 48 Ca 0.00 0.68 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 3bh3 s LEU 48 Cb 0.00 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 3bh3 s LEU 48 CO 0.00 -0.57 0.83 -2.16 -1.32 0.00 0.00 176.35 173.13 3bh3 s PRO 49 N 2.86 4.23 0.58 0.98 0.04 -1.26 -4.96 135.00 137.47 3bh3 s PRO 49 Ca 0.31 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 3bh3 s PRO 49 Cb -0.14 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 3bh3 s PRO 49 CO 0.11 -0.43 1.28 -1.21 0.04 0.00 0.00 177.00 176.79 3bh3 s GLU 50 N 2.52 2.97 0.00 4.56 2.02 -1.26 -1.67 118.70 127.83 3bh3 s GLU 50 Ca 0.36 2.02 0.18 0.00 0.02 0.00 0.00 54.97 57.56 3bh3 s GLU 50 Cb -0.16 -2.05 1.10 0.00 0.10 0.00 0.00 34.13 33.12 3bh3 s GLU 50 CO 0.10 -1.26 1.68 -0.35 0.02 0.00 0.00 175.26 175.44 3bh3 n PRO 51 N -1.41 0.96 -1.78 0.39 -0.04 -1.26 -5.09 135.00 126.76 3bh3 n PRO 51 Ca 0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 3bh3 n PRO 51 Cb 0.48 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.60 4.34 -0.02 1.53 1.02 -0.67 -4.71 118.68 118.58 3bh3 s LEU 52 Ca 0.28 2.95 0.07 0.00 0.02 0.00 0.00 54.13 57.45 3bh3 s LEU 52 Cb 0.13 -3.64 -0.02 0.00 0.02 0.00 0.00 46.19 42.68 3bh3 s LEU 52 CO 0.21 -0.91 -0.23 -1.58 0.02 0.00 0.00 176.35 173.86 3bh3 s GLN 53 N -0.62 1.87 0.32 1.70 0.74 0.37 -4.74 119.66 119.30 3bh3 s GLN 53 Ca 0.62 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.92 3bh3 s GLN 53 Cb -0.48 -1.81 -0.10 0.00 1.10 0.00 0.00 33.01 31.73 3bh3 s GLN 53 CO 0.49 0.50 1.31 1.41 -0.55 0.00 0.00 175.29 178.45 3bh3 s MET 54 N -0.54 4.35 0.00 1.67 -2.45 -1.26 0.29 119.30 121.36 3bh3 s MET 54 Ca 0.09 2.21 0.00 0.00 -1.25 0.00 0.00 55.69 56.74 3bh3 s MET 54 Cb -0.09 -3.08 0.00 0.00 1.25 0.00 0.00 34.83 32.91 3bh3 s MET 54 CO -0.01 -0.20 0.00 0.00 1.05 0.00 0.00 175.02 175.86 3bh3 n ALA 55 N 0.96 0.00 -1.76 4.11 0.00 -1.21 -4.74 120.51 117.87 3bh3 n ALA 55 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3bh3 n ALA 55 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.88 3bh3 n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3bh3 s GLU 56 N 4.09 3.42 -1.55 0.00 1.03 -1.26 -4.91 118.70 119.52 3bh3 s GLU 56 Ca 0.00 1.99 -0.10 0.00 0.03 0.00 0.00 54.97 56.89 3bh3 s GLU 56 Cb 0.00 -2.31 -0.04 0.00 -0.80 0.00 0.00 34.13 30.99 3bh3 s GLU 56 CO 0.00 -0.89 2.77 -0.35 -1.33 0.00 0.00 175.26 175.46 3bh3 n PRO 57 N -0.81 3.75 -4.32 -4.83 -0.04 -1.26 -4.75 135.00 122.75 3bh3 n PRO 57 Ca 0.09 -2.48 -0.25 0.00 -0.04 0.00 0.00 63.50 60.82 3bh3 n PRO 57 Cb 0.47 -2.83 -0.13 0.00 -0.04 0.00 0.00 33.50 30.97 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 1.71 1.86 -0.10 0.52 -7.23 -1.26 -1.63 120.40 114.28 3bh3 s VAL 58 Ca 0.64 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 3bh3 s VAL 58 Cb 0.17 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3bh3 s VAL 58 CO -0.07 -0.03 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.88 3bh3 s VAL 59 N -1.16 3.12 -0.54 1.32 1.01 0.93 -4.17 120.40 120.90 3bh3 s VAL 59 Ca 0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3bh3 s VAL 59 Cb -0.10 -2.28 0.10 0.00 0.00 0.00 0.00 36.38 34.11 3bh3 s VAL 59 CO 0.05 0.55 0.55 -0.13 0.00 0.00 0.00 175.10 176.12 3bh3 s ARG 60 N -0.11 3.02 -0.23 2.72 0.52 -0.13 -0.09 118.95 124.65 3bh3 s ARG 60 Ca -0.01 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.53 3bh3 s ARG 60 Cb -0.14 -4.23 -0.01 0.00 0.52 0.00 0.00 34.95 31.09 3bh3 s ARG 60 CO 0.03 -1.31 0.80 -0.47 0.02 0.00 0.00 175.30 174.37 3bh3 s TYR 61 N 2.03 3.32 0.07 -0.53 6.14 0.94 -1.83 117.35 127.49 3bh3 s TYR 61 Ca 0.07 1.10 0.07 0.00 0.64 0.00 0.00 57.07 58.96 3bh3 s TYR 61 Cb -0.26 -3.01 -0.04 0.00 0.42 0.00 0.00 41.96 39.08 3bh3 s TYR 61 CO 0.06 -0.36 -0.17 -1.83 0.64 0.00 0.00 175.55 173.89 3bh3 s GLU 62 N 2.66 2.01 -0.10 4.97 -1.05 -0.04 -0.22 118.70 126.93 3bh3 s GLU 62 Ca 0.34 -1.04 0.03 0.00 -0.15 0.00 0.00 54.97 54.15 3bh3 s GLU 62 Cb -0.15 -2.19 0.01 0.00 -0.44 0.00 0.00 34.13 31.36 3bh3 s GLU 62 CO 0.08 0.52 -0.17 -0.06 0.95 0.00 0.00 175.26 176.58 3bh3 s PHE 63 N -1.02 2.05 -0.08 4.83 0.08 0.33 -1.67 117.98 122.50 3bh3 s PHE 63 Ca 0.16 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.34 3bh3 s PHE 63 Cb -0.11 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3bh3 s PHE 63 CO 0.08 -0.42 -0.11 0.42 -0.10 0.00 0.00 175.22 175.09 3bh3 s ILE 64 N 0.72 1.08 -0.16 0.64 1.01 -0.07 -0.68 121.20 123.73 3bh3 s ILE 64 Ca -0.12 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 3bh3 s ILE 64 Cb -0.16 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3bh3 s ILE 64 CO 0.03 0.35 0.46 -0.13 0.00 0.00 0.00 174.94 175.64 3bh3 s ARG 65 N 0.92 4.26 -0.57 2.79 1.81 0.98 -1.83 118.95 127.31 3bh3 s ARG 65 Ca -0.10 0.36 0.07 0.00 -1.72 0.00 0.00 55.73 54.34 3bh3 s ARG 65 Cb -0.15 -3.49 0.27 0.00 -0.45 0.00 0.00 34.95 31.13 3bh3 s ARG 65 CO 0.01 0.04 0.73 -1.33 -0.68 0.00 0.00 175.30 174.07 3bh3 n MET 66 N 4.13 2.21 0.00 3.54 2.81 -0.17 -0.36 117.12 129.27 3bh3 n MET 66 Ca -0.07 -4.36 0.07 0.00 -1.81 0.00 0.00 57.70 51.52 3bh3 n MET 66 Cb 0.51 -2.03 0.32 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.77 0.11 -3.32 0.03 -0.04 -1.26 -2.28 135.00 129.02 3bh3 n PRO 67 Ca 0.28 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.83 3bh3 n PRO 67 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.76 0.52 -0.07 3.54 -1.08 -1.25 -4.50 116.67 111.06 3bh3 s ASP 68 Ca 0.10 -0.92 -0.00 0.00 -0.52 0.00 0.00 52.55 51.20 3bh3 s ASP 68 Cb 0.09 0.97 0.03 0.00 -1.46 0.00 0.00 42.92 42.55 3bh3 s ASP 68 CO 0.23 -0.30 -0.02 -0.44 0.52 0.00 0.00 175.17 175.16 3bh3 s SER 69 N 2.01 1.47 0.21 -0.34 0.01 -0.69 -1.65 113.70 114.71 3bh3 s SER 69 Ca 0.13 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 3bh3 s SER 69 Cb -0.12 -0.50 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 3bh3 s SER 69 CO -0.17 -0.14 1.48 0.42 0.41 0.00 0.00 173.24 175.24 3bh3 s THR 70 N 1.62 2.71 0.00 1.44 -4.23 -0.77 -1.49 115.64 114.92 3bh3 s THR 70 Ca 0.00 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 3bh3 s THR 70 Cb -0.13 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3bh3 s THR 70 CO -0.04 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3bh3 n GLY 71 N 2.87 2.39 0.05 3.99 0.00 -1.26 -4.65 105.19 108.58 3bh3 n GLY 71 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.85 0.00 0.00 1.61 3.72 -1.06 -4.58 117.46 115.30 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 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 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 2.70 0.71 2.81 1.37 0.00 -0.55 -4.68 105.19 107.56 3bh3 n GLY 73 Ca -0.19 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 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 3.17 0.33 1.61 -1.08 -1.26 -1.71 116.67 113.73 3bh3 s ASP 74 Ca 0.00 -0.90 -0.07 0.00 -0.52 0.00 0.00 52.55 51.05 3bh3 s ASP 74 Cb 0.00 -0.81 0.01 0.00 -1.46 0.00 0.00 42.92 40.67 3bh3 s ASP 74 CO 0.00 -0.27 0.53 -0.72 0.52 0.00 0.00 175.17 175.23 3bh3 s TYR 75 N 1.69 0.73 0.19 -5.34 -0.85 -0.96 -4.97 117.35 107.85 3bh3 s TYR 75 Ca -0.02 -1.07 0.03 0.00 -0.52 0.00 0.00 57.07 55.48 3bh3 s TYR 75 Cb -0.17 0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.26 3bh3 s TYR 75 CO -0.07 -1.18 -0.01 -1.12 -1.52 0.00 0.00 175.55 171.64 3bh3 s SER 76 N -3.16 1.54 -0.04 -0.18 0.01 -1.26 -1.00 113.70 109.61 3bh3 s SER 76 Ca 0.26 -1.17 -0.14 0.00 1.31 0.00 0.00 55.95 56.21 3bh3 s SER 76 Cb -0.01 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.30 3bh3 s SER 76 CO 0.16 -0.52 0.31 -0.70 0.41 0.00 0.00 173.24 172.90 3bh3 s GLU 77 N -3.87 0.60 -0.00 12.44 -6.30 -0.76 -3.30 118.70 117.50 3bh3 s GLU 77 Ca 0.25 -0.05 -0.05 0.00 -2.50 0.00 0.00 54.97 52.62 3bh3 s GLU 77 Cb 0.05 0.27 -0.00 0.00 0.00 0.00 0.00 34.13 34.45 3bh3 s GLU 77 CO 0.06 -0.15 0.10 0.45 0.02 0.00 0.00 175.26 175.73 3bh3 s SER 78 N -0.98 0.04 -0.03 -1.70 0.15 -0.47 -0.89 113.70 109.82 3bh3 s SER 78 Ca -0.11 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.16 3bh3 s SER 78 Cb -0.05 0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 3bh3 s SER 78 CO 0.03 -0.29 0.91 0.61 1.20 0.00 0.00 173.24 175.71 3bh3 n GLY 79 N 1.81 0.30 2.98 9.45 0.00 -0.67 -0.53 105.19 118.52 3bh3 n GLY 79 Ca -0.21 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3bh3 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bh3 s GLN 80 N -2.01 1.95 0.02 1.61 0.74 0.84 -0.86 119.66 121.95 3bh3 s GLN 80 Ca 0.22 -0.70 0.08 0.00 0.05 0.00 0.00 55.36 55.00 3bh3 s GLN 80 Cb -0.00 -2.24 -0.03 0.00 1.10 0.00 0.00 33.01 31.84 3bh3 s GLN 80 CO -0.01 -0.38 -0.23 0.08 -0.55 0.00 0.00 175.29 174.20 3bh3 s VAL 81 N 1.47 2.40 0.04 1.34 1.01 -0.76 -1.15 120.40 124.75 3bh3 s VAL 81 Ca 0.01 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 60.86 3bh3 s VAL 81 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3bh3 s VAL 81 CO -0.09 0.44 -0.18 0.27 0.00 0.00 0.00 175.10 175.54 3bh3 s ILE 82 N -0.78 1.46 0.26 2.22 -4.36 -0.19 -0.95 121.20 118.86 3bh3 s ILE 82 Ca 0.12 -1.11 -0.29 0.00 -0.26 0.00 0.00 60.65 59.10 3bh3 s ILE 82 Cb -0.10 -1.28 -0.09 0.00 1.25 0.00 0.00 42.46 42.23 3bh3 s ILE 82 CO 0.02 0.14 1.23 -2.16 0.24 0.00 0.00 174.94 174.40 3bh3 s PRO 83 N -1.14 4.47 0.11 0.37 0.04 -1.26 -0.00 135.00 137.58 3bh3 s PRO 83 Ca 0.05 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3bh3 s PRO 83 Cb -0.08 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 3bh3 s PRO 83 CO 0.02 -0.06 0.19 0.54 0.04 0.00 0.00 177.00 177.73 3bh3 s VAL 84 N -0.71 0.13 0.04 -0.36 0.11 0.01 -3.35 120.40 116.27 3bh3 s VAL 84 Ca 0.50 -1.31 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 3bh3 s VAL 84 Cb -0.36 -1.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 3bh3 s VAL 84 CO 0.44 -0.57 -0.19 0.42 -3.33 0.00 0.00 175.10 171.86 3bh3 s THR 85 N -3.90 1.55 -0.09 5.04 -4.23 0.14 -0.49 115.64 113.66 3bh3 s THR 85 Ca 0.09 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3bh3 s THR 85 Cb 0.05 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.56 3bh3 s THR 85 CO -0.07 0.18 -0.08 0.12 -0.54 0.00 0.00 174.62 174.23 3bh3 s PHE 86 N -0.78 1.32 -1.49 3.99 2.19 0.14 -0.48 117.98 122.86 3bh3 s PHE 86 Ca 0.06 -0.58 -0.08 0.00 0.33 0.00 0.00 56.93 56.67 3bh3 s PHE 86 Cb -0.08 -1.09 0.06 0.00 -1.31 0.00 0.00 43.02 40.60 3bh3 s PHE 86 CO 0.02 -0.40 0.72 0.54 1.83 0.00 0.00 175.22 177.93 3bh3 n ARG 87 N 4.57 -4.26 -1.20 10.12 5.12 -1.26 -1.62 116.66 128.13 3bh3 n ARG 87 Ca -0.16 0.50 -0.09 0.00 -1.93 0.00 0.00 57.85 56.16 3bh3 n ARG 87 Cb 0.51 -5.07 -0.04 0.00 -1.16 0.00 0.00 32.46 26.69 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 -1.69 0.89 3.77 -0.13 0.00 -1.26 -4.99 105.19 101.78 3bh3 n GLY 88 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.65 4.16 0.19 1.61 2.12 -0.64 -5.05 118.70 118.44 3bh3 s GLU 89 Ca 0.00 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 3bh3 s GLU 89 Cb 0.00 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 3bh3 s GLU 89 CO 0.00 0.40 0.95 0.50 -0.54 0.00 0.00 175.26 176.57 3bh3 s ARG 90 N -0.17 4.79 0.00 4.30 3.52 -1.26 -0.69 118.95 129.45 3bh3 s ARG 90 Ca 0.24 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 3bh3 s ARG 90 Cb -0.16 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3bh3 s ARG 90 CO 0.12 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 3bh3 n GLY 91 N 1.79 2.17 3.67 8.12 0.00 0.35 -4.32 105.19 116.97 3bh3 n GLY 91 Ca -0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 0.49 4.88 -0.17 1.61 1.04 -0.80 -0.81 113.70 119.94 3bh3 s SER 92 Ca 0.00 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3bh3 s SER 92 Cb 0.00 -1.10 0.02 0.00 0.10 0.00 0.00 66.02 65.04 3bh3 s SER 92 CO 0.00 0.14 -0.20 -0.47 0.98 0.00 0.00 173.24 173.69 3bh3 s TYR 93 N -1.46 2.75 -0.42 5.02 5.04 0.99 0.22 117.35 129.49 3bh3 s TYR 93 Ca 0.26 -1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 53.05 3bh3 s TYR 93 Cb -0.11 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.33 3bh3 s TYR 93 CO 0.18 -0.75 1.24 0.99 -1.34 0.00 0.00 175.55 175.87 3bh3 s THR 94 N 1.14 4.13 -0.02 4.34 2.01 -1.16 -1.02 115.64 125.06 3bh3 s THR 94 Ca 0.01 1.18 -0.15 0.00 0.31 0.00 0.00 61.69 63.05 3bh3 s THR 94 Cb -0.14 -4.41 -0.33 0.00 0.01 0.00 0.00 72.50 67.63 3bh3 s THR 94 CO -0.09 -0.83 0.81 0.25 -0.69 0.00 0.00 174.62 174.07 3bh3 h LEU 95 N 11.39 0.68 -7.10 4.42 5.85 -1.51 -3.45 115.31 125.59 3bh3 h LEU 95 Ca -0.25 -0.92 -0.07 0.00 0.84 0.00 0.00 57.88 57.48 3bh3 h LEU 95 Cb 1.08 -0.22 -0.22 0.00 0.37 0.00 0.00 40.66 41.67 3bh3 h LEU 95 CO 1.10 1.70 0.02 0.00 -0.34 0.00 0.00 178.44 180.92 3bh3 s ALA 96 N -2.56 -1.54 0.08 1.25 0.00 -1.18 -4.92 121.76 112.89 3bh3 s ALA 96 Ca -0.13 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3bh3 s ALA 96 Cb 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3bh3 s ALA 96 CO 0.88 -0.30 -0.06 -1.64 0.00 0.00 0.00 175.76 174.64 3bh3 s MET 97 N 0.11 0.74 -0.09 0.00 -1.94 -1.18 -0.11 119.30 116.81 3bh3 s MET 97 Ca -0.02 -1.21 -0.04 0.00 -1.71 0.00 0.00 55.69 52.71 3bh3 s MET 97 Cb -0.04 -0.13 0.05 0.00 2.01 0.00 0.00 34.83 36.72 3bh3 s MET 97 CO 0.02 -0.03 0.20 -0.06 -0.01 0.00 0.00 175.02 175.14 3bh3 s PHE 98 N -3.31 -0.26 0.09 -0.03 0.08 0.31 -1.34 117.98 113.52 3bh3 s PHE 98 Ca 0.07 0.69 0.05 0.00 0.12 0.00 0.00 56.93 57.86 3bh3 s PHE 98 Cb 0.03 -0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.35 3bh3 s PHE 98 CO -0.05 -0.25 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.17 3bh3 s LEU 99 N 1.78 2.34 -0.32 -0.37 1.43 -0.68 -1.37 118.68 121.50 3bh3 s LEU 99 Ca -0.03 -0.71 0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3bh3 s LEU 99 Cb -0.12 -0.51 0.68 0.00 0.03 0.00 0.00 46.19 46.27 3bh3 s LEU 99 CO -0.07 -0.12 1.73 -0.90 0.23 0.00 0.00 176.35 177.22 3bh3 n ASP 100 N 0.91 4.21 -3.75 2.29 5.75 -1.21 -2.05 116.55 122.70 3bh3 n ASP 100 Ca -0.18 -3.35 -0.13 0.00 -0.01 0.00 0.00 54.79 51.12 3bh3 n ASP 100 Cb 0.56 -0.72 -0.14 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.41 -0.15 -0.06 -1.12 2.15 -1.26 -4.93 116.67 109.88 3bh3 s ASP 101 Ca 0.53 0.36 -0.26 0.00 0.43 0.00 0.00 52.55 53.61 3bh3 s ASP 101 Cb 0.43 0.26 -0.23 0.00 -0.30 0.00 0.00 42.92 43.07 3bh3 s ASP 101 CO 0.11 -0.14 1.02 -0.61 -0.17 0.00 0.00 175.17 175.38 3bh3 h GLN 102 N 7.08 0.11 -0.56 4.34 5.75 -1.92 -3.12 115.11 126.78 3bh3 h GLN 102 Ca -0.40 -0.11 0.11 0.00 -0.15 0.00 0.00 58.65 58.09 3bh3 h GLN 102 Cb 1.15 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.64 3bh3 h GLN 102 CO 0.41 0.86 0.06 -1.35 -2.65 0.00 0.00 178.83 176.16 3bh3 h PRO 103 N -0.59 0.18 0.00 -2.39 0.11 -1.87 0.39 132.00 127.82 3bh3 h PRO 103 Ca -0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3bh3 h PRO 103 Cb 0.91 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3bh3 h PRO 103 CO 0.03 0.12 -0.08 -1.00 -0.21 0.00 0.00 178.00 176.86 3bh3 h PRO 104 N 0.18 0.00 0.35 1.05 0.13 -1.83 0.98 132.00 132.86 3bh3 h PRO 104 Ca 0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.40 3bh3 h PRO 104 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3bh3 h PRO 104 CO -0.43 0.08 -0.17 1.25 -0.23 0.00 0.00 178.00 178.50 3bh3 h LEU 105 N 0.00 -0.40 0.17 1.56 6.46 -0.26 0.32 115.31 123.17 3bh3 h LEU 105 Ca -0.00 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3bh3 h LEU 105 Cb 0.20 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3bh3 h LEU 105 CO 0.01 0.06 -0.13 0.00 -0.62 0.00 0.00 178.44 177.75 3bh3 h ALA 106 N -0.81 -0.29 -0.32 1.25 0.00 -0.93 -2.49 119.26 115.67 3bh3 h ALA 106 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3bh3 h ALA 106 Cb 0.48 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3bh3 h ALA 106 CO 0.08 -0.68 -0.50 0.78 0.00 0.00 0.00 179.25 178.93 3bh3 h GLY 107 N -0.31 -0.86 -0.26 0.00 0.00 -0.89 0.23 103.07 100.98 3bh3 h GLY 107 Ca -0.01 0.64 0.13 0.00 0.00 0.00 0.00 47.33 48.10 3bh3 h GLY 107 CO -0.01 -0.17 -0.12 -1.33 0.00 0.00 0.00 176.54 174.92 3bh3 h GLY 108 N -0.43 0.53 0.32 4.60 0.00 -0.22 -1.64 103.07 106.24 3bh3 h GLY 108 Ca 0.09 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3bh3 h GLY 108 CO -0.54 -0.24 -0.01 3.21 0.00 0.00 0.00 176.54 178.96 3bh3 h ARG 109 N 0.03 -0.02 -0.03 4.80 3.08 -0.95 -1.02 114.38 120.26 3bh3 h ARG 109 Ca 0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 3bh3 h ARG 109 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3bh3 h ARG 109 CO -0.64 0.63 -0.59 0.93 -1.07 0.00 0.00 179.97 179.22 3bh3 h GLU 110 N -0.71 0.11 0.00 0.04 5.08 -0.37 -2.70 114.58 116.04 3bh3 h GLU 110 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3bh3 h GLU 110 Cb 0.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3bh3 h GLU 110 CO 0.00 0.67 -0.22 -0.11 -1.00 0.00 0.00 179.01 178.36 3bh3 n LEU 111 N -3.86 0.60 0.05 1.33 7.94 -0.63 -4.69 117.00 117.74 3bh3 n LEU 111 Ca -0.02 0.29 -0.04 0.00 -1.11 0.00 0.00 56.01 55.13 3bh3 n LEU 111 Cb 0.60 -0.61 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 3bh3 n LEU 111 CO 0.43 -0.47 -0.06 -0.50 -1.11 0.00 0.00 177.39 175.67 3bh3 h TRP 112 N -0.32 0.00 -0.28 1.96 6.55 -1.68 -3.49 115.95 118.69 3bh3 h TRP 112 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3bh3 h TRP 112 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 3bh3 h TRP 112 CO -0.09 0.79 0.00 0.41 -1.05 0.00 0.00 178.44 178.50 3bh3 n GLY 113 N 1.39 0.78 3.77 1.49 0.00 -0.70 -4.61 105.19 107.30 3bh3 n GLY 113 Ca -0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.28 2.72 -1.33 1.61 0.08 -0.47 -4.24 117.98 114.06 3bh3 s PHE 114 Ca 0.00 1.15 -0.07 0.00 0.12 0.00 0.00 56.93 58.13 3bh3 s PHE 114 Cb 0.00 -3.96 0.06 0.00 -0.57 0.00 0.00 43.02 38.55 3bh3 s PHE 114 CO 0.00 -2.86 2.58 -0.35 -0.10 0.00 0.00 175.22 174.49 3bh3 n PRO 115 N 0.88 4.22 -3.00 0.24 -0.04 -1.26 -3.96 135.00 132.07 3bh3 n PRO 115 Ca 0.02 -3.04 -0.39 0.00 -0.04 0.00 0.00 63.50 60.05 3bh3 n PRO 115 Cb 0.39 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 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 -0.29 4.52 0.37 0.54 1.02 -1.26 -3.11 119.74 121.52 3bh3 s LYS 116 Ca 0.59 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.73 3bh3 s LYS 116 Cb 0.20 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 3bh3 s LYS 116 CO -0.09 0.48 0.03 0.15 -0.92 0.00 0.00 175.35 175.00 3bh3 s LYS 117 N -0.78 1.81 0.25 1.68 1.02 -0.45 -4.98 119.74 118.29 3bh3 s LYS 117 Ca 0.36 -2.02 -0.17 0.00 0.02 0.00 0.00 55.97 54.16 3bh3 s LYS 117 Cb -0.22 -1.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.75 3bh3 s LYS 117 CO 0.25 -0.12 0.71 0.00 -0.92 0.00 0.00 175.35 175.27 3bh3 s ALA 118 N -3.00 3.39 0.12 5.17 0.00 -1.26 -1.68 121.76 124.50 3bh3 s ALA 118 Ca 0.36 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 3bh3 s ALA 118 Cb 0.09 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.52 3bh3 s ALA 118 CO 0.17 0.34 1.08 0.20 0.00 0.00 0.00 175.76 177.55 3bh3 s GLY 119 N -1.89 -0.10 -0.62 0.00 0.00 -0.87 -4.70 107.32 99.14 3bh3 s GLY 119 Ca 0.47 0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.22 3bh3 s GLY 119 CO 0.20 1.64 0.40 0.54 0.00 0.00 0.00 173.10 175.88 3bh3 s LYS 120 N -2.53 2.36 0.24 2.90 -0.14 0.86 -3.37 119.74 120.06 3bh3 s LYS 120 Ca 0.18 -2.79 -0.24 0.00 -1.36 0.00 0.00 55.97 51.76 3bh3 s LYS 120 Cb -0.01 -3.52 -0.09 0.00 -1.68 0.00 0.00 37.83 32.54 3bh3 s LYS 120 CO 0.02 -1.17 0.82 -1.25 -0.76 0.00 0.00 175.35 173.01 3bh3 s PRO 121 N -0.54 4.50 0.04 -1.68 0.05 -1.26 -1.82 135.00 134.29 3bh3 s PRO 121 Ca 0.19 1.15 0.03 0.00 0.05 0.00 0.00 61.00 62.42 3bh3 s PRO 121 Cb -0.19 -3.01 -0.02 0.00 0.05 0.00 0.00 34.50 31.33 3bh3 s PRO 121 CO -0.05 0.43 -0.09 1.03 0.05 0.00 0.00 177.00 178.36 3bh3 s ARG 122 N -1.67 0.62 -0.16 4.56 0.52 0.76 -4.79 118.95 118.80 3bh3 s ARG 122 Ca 0.43 -0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3bh3 s ARG 122 Cb -0.20 -0.49 0.07 0.00 0.52 0.00 0.00 34.95 34.85 3bh3 s ARG 122 CO 0.24 0.11 0.15 -1.17 0.02 0.00 0.00 175.30 174.65 3bh3 s LEU 123 N -1.37 0.07 -0.07 2.53 2.96 -1.26 -0.83 118.68 120.71 3bh3 s LEU 123 Ca -0.06 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 3bh3 s LEU 123 Cb -0.09 0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.74 3bh3 s LEU 123 CO 0.01 -0.31 0.30 -1.61 -1.32 0.00 0.00 176.35 173.42 3bh3 s GLU 124 N 2.25 0.50 -0.05 1.98 2.02 -0.62 -4.98 118.70 119.80 3bh3 s GLU 124 Ca 0.04 0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 3bh3 s GLU 124 Cb -0.15 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.28 3bh3 s GLU 124 CO -0.09 -0.11 0.89 0.08 0.02 0.00 0.00 175.26 176.06 3bh3 s VAL 125 N -0.56 4.90 -0.54 2.63 1.01 -1.26 -0.15 120.40 126.43 3bh3 s VAL 125 Ca -0.07 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.80 3bh3 s VAL 125 Cb -0.04 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.26 3bh3 s VAL 125 CO 0.02 0.14 0.31 -1.00 0.00 0.00 0.00 175.10 174.57 3bh3 s HIS 126 N 1.25 3.00 0.00 5.22 3.76 0.16 -4.97 115.29 123.71 3bh3 s HIS 126 Ca 0.46 -3.06 0.00 0.00 -0.15 0.00 0.00 55.06 52.31 3bh3 s HIS 126 Cb -0.19 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.92 3bh3 s HIS 126 CO 0.22 -0.71 0.00 1.04 -0.85 0.00 0.00 174.74 174.44 3bh3 n GLN 127 N 2.92 0.00 0.00 1.40 3.00 -1.26 -2.47 117.38 120.96 3bh3 n GLN 127 Ca 0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.21 3bh3 n GLN 127 Cb 0.34 0.00 0.21 0.00 0.00 0.00 0.00 30.24 30.78 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 9.09 1.52 -4.25 1.08 5.75 -1.26 -4.92 116.55 123.55 3bh3 n ASP 128 Ca 0.00 -1.20 -0.31 0.00 -0.01 0.00 0.00 54.79 53.27 3bh3 n ASP 128 Cb 0.00 0.29 -0.16 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.47 1.95 -0.29 2.12 2.01 -1.03 -3.43 115.64 114.50 3bh3 s THR 129 Ca 0.22 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 3bh3 s THR 129 Cb 0.19 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3bh3 s THR 129 CO 0.54 0.55 0.64 -0.22 -0.69 0.00 0.00 174.62 175.43 3bh3 s LEU 130 N -0.21 4.11 -0.17 4.42 2.96 -0.50 0.37 118.68 129.67 3bh3 s LEU 130 Ca -0.01 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.43 3bh3 s LEU 130 Cb -0.13 -2.84 -0.00 0.00 0.50 0.00 0.00 46.19 43.72 3bh3 s LEU 130 CO 0.03 -0.45 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.79 3bh3 s VAL 131 N 2.59 2.86 -0.15 1.68 1.01 0.79 -1.80 120.40 127.37 3bh3 s VAL 131 Ca 0.26 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3bh3 s VAL 131 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3bh3 s VAL 131 CO 0.11 0.50 -0.01 -0.83 0.00 0.00 0.00 175.10 174.86 3bh3 s GLY 132 N 0.94 1.77 0.06 4.51 0.00 0.42 -1.58 107.32 113.44 3bh3 s GLY 132 Ca -0.02 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 43.95 3bh3 s GLY 132 CO -0.01 -0.10 -0.14 -1.35 0.00 0.00 0.00 173.10 171.50 3bh3 s SER 133 N 0.22 1.66 -0.08 1.64 1.04 -0.01 -0.29 113.70 117.88 3bh3 s SER 133 Ca -0.01 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 3bh3 s SER 133 Cb -0.13 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.94 3bh3 s SER 133 CO 0.02 -0.04 -0.05 -0.22 0.98 0.00 0.00 173.24 173.93 3bh3 s LEU 134 N -1.54 1.04 -0.08 2.42 2.96 0.49 -0.17 118.68 123.81 3bh3 s LEU 134 Ca -0.01 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3bh3 s LEU 134 Cb -0.09 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3bh3 s LEU 134 CO 0.02 -0.12 -0.06 -1.81 -1.32 0.00 0.00 176.35 173.06 3bh3 s ASP 135 N 1.58 4.72 -0.37 3.68 1.11 -0.75 -0.88 116.67 125.76 3bh3 s ASP 135 Ca 0.01 -0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.72 3bh3 s ASP 135 Cb -0.13 -1.29 0.10 0.00 1.07 0.00 0.00 42.92 42.67 3bh3 s ASP 135 CO -0.05 0.34 0.11 0.12 1.18 0.00 0.00 175.17 176.87 3bh3 s PHE 136 N -0.65 3.62 0.00 4.23 2.19 0.83 -0.10 117.98 128.09 3bh3 s PHE 136 Ca 0.10 -2.59 0.00 0.00 0.33 0.00 0.00 56.93 54.77 3bh3 s PHE 136 Cb -0.12 -2.95 0.00 0.00 -1.31 0.00 0.00 43.02 38.64 3bh3 s PHE 136 CO 0.02 -0.94 0.00 0.41 1.83 0.00 0.00 175.22 176.53 3bh3 n GLY 137 N 4.46 3.13 0.00 13.12 0.00 -1.26 -2.34 105.19 122.30 3bh3 n GLY 137 Ca -0.01 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 0.82 -4.23 1.61 -0.04 -1.26 -4.83 135.00 141.07 3bh3 n PRO 138 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 3bh3 n PRO 138 Cb 0.00 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 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 4.19 -0.30 0.52 1.01 -0.99 -5.07 120.40 117.77 3bh3 s VAL 139 Ca 0.20 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 3bh3 s VAL 139 Cb 0.09 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3bh3 s VAL 139 CO 0.15 0.47 1.02 -0.60 0.00 0.00 0.00 175.10 176.15 3bh3 s ARG 140 N 0.44 4.09 -0.00 2.72 6.06 -1.26 -0.12 118.95 130.88 3bh3 s ARG 140 Ca -0.01 1.05 0.13 0.00 -2.50 0.00 0.00 55.73 54.40 3bh3 s ARG 140 Cb -0.14 -3.72 -0.15 0.00 0.06 0.00 0.00 34.95 31.01 3bh3 s ARG 140 CO 0.02 -0.81 0.50 0.44 -2.50 0.00 0.00 175.30 172.96 3bh3 n ILE 141 N 5.70 0.00 -3.66 4.11 -5.35 -0.06 -4.52 119.36 115.58 3bh3 n ILE 141 Ca 0.11 -0.21 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 3bh3 n ILE 141 Cb 0.47 0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 39.17 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 -2.32 -1.58 -0.07 -1.28 0.00 -1.04 -1.20 121.76 114.27 3bh3 s ALA 142 Ca 0.03 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3bh3 s ALA 142 Cb 0.09 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3bh3 s ALA 142 CO 0.53 -0.42 -0.04 0.99 0.00 0.00 0.00 175.76 176.81 3bh3 s THR 143 N 1.76 0.65 0.03 0.00 2.01 -0.21 -0.38 115.64 119.49 3bh3 s THR 143 Ca -0.09 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 61.86 3bh3 s THR 143 Cb -0.07 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3bh3 s THR 143 CO -0.17 0.28 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.03 3bh3 s GLY 144 N 1.40 0.93 0.07 4.40 0.00 0.61 -0.73 107.32 114.00 3bh3 s GLY 144 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.84 3bh3 s GLY 144 CO -0.03 -0.81 -0.10 -0.51 0.00 0.00 0.00 173.10 171.64 3bh3 s THR 145 N -0.69 0.81 0.05 0.90 -4.23 -0.60 -0.43 115.64 111.44 3bh3 s THR 145 Ca 0.05 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3bh3 s THR 145 Cb -0.08 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 3bh3 s THR 145 CO 0.01 -0.40 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.59 3bh3 s MET 146 N -2.02 0.52 1.01 3.99 -1.94 -0.75 -0.04 119.30 120.07 3bh3 s MET 146 Ca -0.03 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 52.97 3bh3 s MET 146 Cb -0.08 -0.08 0.20 0.00 2.01 0.00 0.00 34.83 36.88 3bh3 s MET 146 CO 0.01 -0.01 1.09 0.20 -0.01 0.00 0.00 175.02 176.29 3bh3 s GLY 147 N -1.95 1.62 -0.43 -0.03 0.00 -0.58 -1.41 107.32 104.54 3bh3 s GLY 147 Ca -0.06 0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.73 3bh3 s GLY 147 CO -0.02 0.76 0.31 -0.47 0.00 0.00 0.00 173.10 173.67 3bh3 s TYR 148 N -2.61 3.26 -1.40 1.90 5.04 -1.22 -4.61 117.35 117.70 3bh3 s TYR 148 Ca 0.67 -0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 54.34 3bh3 s TYR 148 Cb -0.23 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.26 3bh3 s TYR 148 CO 0.60 -0.72 0.41 1.63 -1.34 0.00 0.00 175.55 176.13 3bh3 n LYS 149 N 5.10 -2.84 0.02 4.97 5.02 -1.26 -4.92 118.16 124.25 3bh3 n LYS 149 Ca -0.12 0.37 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 3bh3 n LYS 149 Cb 0.45 -4.35 -0.07 0.00 -0.02 0.00 0.00 35.03 31.04 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 -1.86 0.05 -3.35 2.13 0.99 -1.79 -3.44 116.97 109.69 3bh3 h TYR 150 Ca -0.64 -0.00 -0.45 0.00 2.00 0.00 0.00 58.73 59.64 3bh3 h TYR 150 Cb 1.38 -0.01 -0.35 0.00 1.00 0.00 0.00 36.73 38.74 3bh3 h TYR 150 CO 0.48 0.12 -0.78 -1.21 -0.00 0.00 0.00 178.16 176.77 3bh3 s GLU 151 N -5.81 0.98 0.36 4.88 2.02 -0.75 -5.00 118.70 115.38 3bh3 s GLU 151 Ca -0.14 -0.11 -0.28 0.00 0.02 0.00 0.00 54.97 54.46 3bh3 s GLU 151 Cb 0.06 -1.06 -0.11 0.00 0.10 0.00 0.00 34.13 33.12 3bh3 s GLU 151 CO 0.67 -0.16 1.41 0.00 0.02 0.00 0.00 175.26 177.20 3bh3 s ALA 152 N 1.30 3.54 0.09 5.21 0.00 -1.26 -0.55 121.76 130.09 3bh3 s ALA 152 Ca -0.05 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 3bh3 s ALA 152 Cb -0.14 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3bh3 s ALA 152 CO -0.02 -0.89 0.32 -1.17 0.00 0.00 0.00 175.76 174.00 3bh3 s LEU 153 N -1.99 4.31 -0.49 0.00 2.96 -0.51 -4.80 118.68 118.17 3bh3 s LEU 153 Ca 0.51 0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 54.69 3bh3 s LEU 153 Cb -0.44 -3.09 -0.08 0.00 0.50 0.00 0.00 46.19 43.09 3bh3 s LEU 153 CO 0.59 0.13 2.41 -0.67 -1.32 0.00 0.00 176.35 177.48 3bh3 n ASP 154 N 0.40 2.30 -0.07 3.68 4.64 -1.26 -4.84 116.55 121.40 3bh3 n ASP 154 Ca -0.05 -0.35 -0.10 0.00 -1.38 0.00 0.00 54.79 52.90 3bh3 n ASP 154 Cb 0.52 -1.53 -0.03 0.00 -1.04 0.00 0.00 41.12 39.03 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 18.38 0.36 -0.82 -0.67 3.08 -1.94 -1.45 114.38 131.32 3bh3 h ARG 155 Ca -0.25 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 59.83 3bh3 h ARG 155 Cb 1.27 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 3bh3 h ARG 155 CO 1.15 0.39 0.47 1.03 -1.07 0.00 0.00 179.97 181.94 3bh3 h SER 156 N 0.25 0.69 -0.09 7.04 0.87 -2.00 -1.11 113.55 119.19 3bh3 h SER 156 Ca 0.08 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3bh3 h SER 156 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3bh3 h SER 156 CO -0.01 0.40 -0.07 0.00 -0.53 0.00 0.00 176.83 176.63 3bh3 h ALA 157 N 1.44 1.46 0.65 6.23 0.00 -1.89 -3.12 119.26 124.03 3bh3 h ALA 157 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3bh3 h ALA 157 Cb 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bh3 h ALA 157 CO -0.23 0.38 -0.31 1.25 0.00 0.00 0.00 179.25 180.33 3bh3 h LEU 158 N 0.34 -0.74 -0.95 0.00 5.85 -0.12 -2.55 115.31 117.14 3bh3 h LEU 158 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3bh3 h LEU 158 Cb 0.34 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3bh3 h LEU 158 CO 0.02 -0.41 0.42 -0.07 -0.34 0.00 0.00 178.44 178.05 3bh3 h LEU 159 N -1.06 0.00 -1.18 2.25 4.07 -1.51 0.27 115.31 118.14 3bh3 h LEU 159 Ca -0.09 0.00 0.11 0.00 0.08 0.00 0.00 57.88 57.98 3bh3 h LEU 159 Cb 0.71 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.38 3bh3 h LEU 159 CO 0.15 0.00 0.59 0.00 -1.08 0.00 0.00 178.44 178.09 3bh3 h ALA 160 N 0.98 1.66 0.01 1.53 0.00 -1.39 -2.61 119.26 119.43 3bh3 h ALA 160 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3bh3 h ALA 160 Cb 0.84 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3bh3 h ALA 160 CO 0.00 0.14 -1.71 -1.13 0.00 0.00 0.00 179.25 176.55 3bh3 n SER 161 N -4.55 0.95 0.00 0.00 3.41 0.92 -4.18 113.62 110.17 3bh3 n SER 161 Ca 0.16 0.41 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3bh3 n SER 161 Cb 0.35 -0.12 0.54 0.00 -0.26 0.00 0.00 64.21 64.71 3bh3 n SER 161 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bh3 n LEU 162 N -3.07 0.00 -0.01 1.04 4.32 -1.07 -2.41 117.00 115.81 3bh3 n LEU 162 Ca -0.17 0.20 0.08 0.00 -0.02 0.00 0.00 56.01 56.09 3bh3 n LEU 162 Cb 1.05 -0.20 -0.11 0.00 -1.62 0.00 0.00 43.42 42.54 3bh3 n LEU 162 CO 0.45 -0.07 -0.55 0.00 -1.22 0.00 0.00 177.39 176.00 3bh3 n ALA 163 N -1.20 2.87 -1.53 -1.18 0.00 -1.01 -4.41 120.51 114.05 3bh3 n ALA 163 Ca 0.11 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 3bh3 n ALA 163 Cb 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.95 2.87 0.41 0.00 -1.05 -1.01 -4.93 118.70 112.05 3bh3 s GLU 164 Ca -0.03 1.03 -0.24 0.00 -0.15 0.00 0.00 54.97 55.58 3bh3 s GLU 164 Cb 0.10 -1.98 -0.09 0.00 -0.44 0.00 0.00 34.13 31.73 3bh3 s GLU 164 CO 0.64 -1.16 1.08 -1.25 0.95 0.00 0.00 175.26 175.53 3bh3 s PRO 165 N -4.88 4.08 -0.18 -4.83 0.04 -1.26 -4.81 135.00 123.15 3bh3 s PRO 165 Ca 0.59 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 3bh3 s PRO 165 Cb -0.15 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 3bh3 s PRO 165 CO 0.53 -0.24 -0.10 -0.80 0.04 0.00 0.00 177.00 176.43 3bh3 s ASN 166 N -1.48 4.04 -0.03 6.66 -0.87 -0.44 -1.91 114.94 120.91 3bh3 s ASN 166 Ca 0.59 -0.40 -0.03 0.00 -1.57 0.00 0.00 52.86 51.45 3bh3 s ASN 166 Cb -0.24 -1.66 -0.04 0.00 -0.02 0.00 0.00 41.25 39.29 3bh3 s ASN 166 CO 0.30 0.05 0.13 -0.36 -2.57 0.00 0.00 177.10 174.65 3bh3 s PHE 167 N 1.05 3.45 -0.01 2.20 0.08 0.13 -1.57 117.98 123.31 3bh3 s PHE 167 Ca -0.00 0.33 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 3bh3 s PHE 167 Cb -0.15 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3bh3 s PHE 167 CO -0.02 0.62 0.03 -0.51 -0.10 0.00 0.00 175.22 175.25 3bh3 s LEU 168 N -1.64 1.77 -0.77 -0.37 1.43 -0.47 -2.98 118.68 115.66 3bh3 s LEU 168 Ca 0.23 0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.16 3bh3 s LEU 168 Cb -0.12 0.08 0.08 0.00 0.03 0.00 0.00 46.19 46.26 3bh3 s LEU 168 CO 0.13 -0.03 1.09 -0.22 0.23 0.00 0.00 176.35 177.56 3bh3 s LEU 169 N 0.17 4.30 -0.22 1.79 2.96 -1.26 -0.18 118.68 126.24 3bh3 s LEU 169 Ca -0.01 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.39 3bh3 s LEU 169 Cb -0.02 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 3bh3 s LEU 169 CO -0.00 -1.41 1.18 -0.75 -1.32 0.00 0.00 176.35 174.04 3bh3 s LYS 170 N 4.05 4.18 -0.09 1.98 2.20 0.58 -4.90 119.74 127.74 3bh3 s LYS 170 Ca 0.28 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 57.36 3bh3 s LYS 170 Cb -0.11 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 3bh3 s LYS 170 CO 0.04 -0.76 -0.08 0.42 -0.36 0.00 0.00 175.35 174.61 3bh3 s ILE 171 N 3.54 0.98 -0.07 5.43 1.01 -1.26 -1.17 121.20 129.65 3bh3 s ILE 171 Ca 0.51 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3bh3 s ILE 171 Cb -0.18 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3bh3 s ILE 171 CO 0.13 0.34 -0.09 -0.63 0.00 0.00 0.00 174.94 174.69 3bh3 s ILE 172 N 1.27 0.98 0.63 2.92 -1.09 -0.42 -4.97 121.20 120.52 3bh3 s ILE 172 Ca -0.04 -0.35 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 3bh3 s ILE 172 Cb -0.14 -0.93 -0.01 0.00 -1.58 0.00 0.00 42.46 39.79 3bh3 s ILE 172 CO -0.03 0.33 1.14 -2.16 -1.23 0.00 0.00 174.94 172.99 3bh3 s PRO 173 N 0.98 2.86 0.77 2.79 0.04 -1.26 -0.94 135.00 140.23 3bh3 s PRO 173 Ca -0.09 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 3bh3 s PRO 173 Cb -0.15 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.52 3bh3 s PRO 173 CO 0.00 -1.24 1.12 -1.58 0.04 0.00 0.00 177.00 175.35 3bh3 s HIS 174 N -2.05 2.98 0.56 0.56 2.46 0.99 -4.50 115.29 116.29 3bh3 s HIS 174 Ca 0.71 0.68 0.27 0.00 0.47 0.00 0.00 55.06 57.19 3bh3 s HIS 174 Cb -0.24 -3.36 1.50 0.00 -0.13 0.00 0.00 32.58 30.34 3bh3 s HIS 174 CO 0.37 -1.61 2.01 -0.39 -2.47 0.00 0.00 174.74 172.66 3bh3 h VAL 175 N -0.88 0.57 -0.12 0.89 -1.51 -1.97 -0.48 116.25 112.77 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 1.32 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3bh3 h VAL 175 CO 0.64 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.08 3bh3 n ASP 176 N -4.05 1.69 0.00 4.19 5.68 -1.26 -4.95 116.55 117.85 3bh3 n ASP 176 Ca 0.06 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 3bh3 n ASP 176 Cb 0.51 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3bh3 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bh3 n GLY 177 N 1.16 3.07 3.79 6.12 0.00 -0.19 -5.05 105.19 114.09 3bh3 n GLY 177 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 0.22 6.00 0.17 1.61 1.04 -1.26 -4.61 113.70 116.86 3bh3 s SER 178 Ca 0.00 2.04 -0.31 0.00 0.48 0.00 0.00 55.95 58.16 3bh3 s SER 178 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 3bh3 s SER 178 CO 0.00 -1.02 1.47 -2.16 0.98 0.00 0.00 173.24 172.50 3bh3 s PRO 179 N -3.33 4.27 -0.21 4.02 0.04 -1.26 -0.00 135.00 138.53 3bh3 s PRO 179 Ca 0.70 2.24 0.07 0.00 0.04 0.00 0.00 61.00 64.04 3bh3 s PRO 179 Cb -0.20 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 30.99 3bh3 s PRO 179 CO 0.25 -0.49 -0.12 -2.13 0.04 0.00 0.00 177.00 174.55 3bh3 n ARG 180 N 3.52 0.73 -5.13 4.56 3.00 -0.11 -4.69 116.66 118.54 3bh3 n ARG 180 Ca 0.11 0.09 -0.32 0.00 -0.00 0.00 0.00 57.85 57.73 3bh3 n ARG 180 Cb 0.40 -1.47 -0.17 0.00 0.00 0.00 0.00 32.46 31.23 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 -2.46 2.21 -0.38 5.15 1.01 -0.75 -4.97 121.20 121.01 3bh3 s ILE 181 Ca -0.24 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.51 3bh3 s ILE 181 Cb 0.07 -1.86 0.18 0.00 0.01 0.00 0.00 42.46 40.86 3bh3 s ILE 181 CO 0.61 0.55 0.57 0.00 0.00 0.00 0.00 174.94 176.66 3bh3 s GLU 183 N 1.95 0.68 -0.01 0.00 -1.05 -0.32 -1.01 118.70 118.93 3bh3 s GLU 183 Ca 0.15 -0.74 -0.22 0.00 -0.15 0.00 0.00 54.97 54.01 3bh3 s GLU 183 Cb -0.07 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 3bh3 s GLU 183 CO -0.10 -0.19 0.64 -0.51 0.95 0.00 0.00 175.26 176.04 3bh3 s LEU 184 N -2.24 4.40 -0.03 1.83 1.43 0.15 -0.31 118.68 123.90 3bh3 s LEU 184 Ca -0.03 1.19 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 3bh3 s LEU 184 Cb 0.00 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3bh3 s LEU 184 CO -0.05 0.04 -0.26 -0.69 0.23 0.00 0.00 176.35 175.62 3bh3 s VAL 185 N 0.06 2.06 -0.19 -1.59 1.01 0.75 -1.22 120.40 121.28 3bh3 s VAL 185 Ca 0.33 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3bh3 s VAL 185 Cb -0.18 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3bh3 s VAL 185 CO 0.18 0.58 -0.10 -0.60 0.00 0.00 0.00 175.10 175.16 3bh3 s ARG 186 N -0.45 3.29 0.23 2.72 3.52 0.12 -1.36 118.95 127.02 3bh3 s ARG 186 Ca 0.05 -0.68 0.08 0.00 -0.13 0.00 0.00 55.73 55.05 3bh3 s ARG 186 Cb -0.11 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 3bh3 s ARG 186 CO 0.01 -0.11 -0.13 1.52 -0.81 0.00 0.00 175.30 175.77 3bh3 s TYR 187 N 1.19 1.82 0.09 5.12 1.13 -0.61 -0.00 117.35 126.09 3bh3 s TYR 187 Ca 0.02 -0.57 0.06 0.00 -1.41 0.00 0.00 57.07 55.17 3bh3 s TYR 187 Cb -0.14 -0.88 -0.03 0.00 -1.10 0.00 0.00 41.96 39.81 3bh3 s TYR 187 CO -0.03 0.38 -0.16 -1.01 -2.51 0.00 0.00 175.55 172.22 3bh3 s HIS 188 N -2.93 1.40 -0.29 -3.49 3.76 -1.26 -1.33 115.29 111.15 3bh3 s HIS 188 Ca 0.25 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 3bh3 s HIS 188 Cb -0.00 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 32.88 3bh3 s HIS 188 CO 0.09 0.11 0.18 0.95 -0.85 0.00 0.00 174.74 175.21 3bh3 s THR 189 N -1.33 5.09 0.39 1.30 -4.23 -1.26 -2.00 115.64 113.60 3bh3 s THR 189 Ca 0.01 -0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3bh3 s THR 189 Cb -0.09 -3.47 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 3bh3 s THR 189 CO 0.03 0.19 -0.01 0.42 -0.54 0.00 0.00 174.62 174.71 3bh3 s THR 190 N 1.72 2.11 -0.74 3.99 -4.23 0.36 -4.67 115.64 114.17 3bh3 s THR 190 Ca 0.07 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3bh3 s THR 190 Cb -0.16 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3bh3 s THR 190 CO 0.09 -0.06 0.00 0.47 -0.54 0.00 0.00 174.62 174.58 3bh3 n ASP 191 N -0.93 -3.65 -4.60 3.99 8.00 -1.26 -0.51 116.55 117.59 3bh3 n ASP 191 Ca -0.05 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 3bh3 n ASP 191 Cb 0.66 -2.02 -0.03 0.00 -0.02 0.00 0.00 41.12 39.71 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 -2.29 3.60 -0.36 2.53 1.01 -1.26 -4.25 120.40 119.38 3bh3 s VAL 192 Ca 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 3bh3 s VAL 192 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.57 3bh3 s VAL 192 CO 0.00 -0.57 0.16 0.00 0.00 0.00 0.00 175.10 174.69 3bh3 s ALA 193 N 6.57 3.15 0.01 5.51 0.00 -0.66 -4.97 121.76 131.36 3bh3 s ALA 193 Ca 0.73 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3bh3 s ALA 193 Cb -0.19 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3bh3 s ALA 193 CO 0.32 -1.42 1.05 0.42 0.00 0.00 0.00 175.76 176.14 3bh3 s ILE 194 N 1.44 4.60 -0.16 0.00 1.01 -1.26 -0.90 121.20 125.93 3bh3 s ILE 194 Ca 0.00 1.87 0.13 0.00 0.00 0.00 0.00 60.65 62.65 3bh3 s ILE 194 Cb -0.20 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.83 3bh3 s ILE 194 CO 0.04 0.13 0.22 0.29 0.00 0.00 0.00 174.94 175.61 3bh3 n LYS 195 N 4.06 0.67 -3.52 2.79 5.02 0.06 -4.98 118.16 122.27 3bh3 n LYS 195 Ca 0.07 0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 3bh3 n LYS 195 Cb 0.49 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 3bh3 n LYS 195 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bh3 s GLY 196 N -5.52 -0.43 -0.12 0.72 0.00 -1.19 -4.99 107.32 95.80 3bh3 s GLY 196 Ca -0.12 1.39 -0.14 0.00 0.00 0.00 0.00 44.72 45.84 3bh3 s GLY 196 CO 0.80 0.69 0.38 0.00 0.00 0.00 0.00 173.10 174.97 3bh3 s ALA 197 N -2.07 -0.95 0.06 3.20 0.00 -1.26 -1.72 121.76 119.02 3bh3 s ALA 197 Ca -0.01 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 3bh3 s ALA 197 Cb -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3bh3 s ALA 197 CO -0.02 -0.20 0.38 -1.58 0.00 0.00 0.00 175.76 174.34 3bh3 s TRP 198 N -0.11 -0.20 0.26 0.00 0.51 0.12 -1.43 118.94 118.09 3bh3 s TRP 198 Ca -0.03 0.08 0.09 0.00 -2.12 0.00 0.00 56.10 54.13 3bh3 s TRP 198 Cb -0.03 0.19 -0.05 0.00 -0.81 0.00 0.00 33.47 32.77 3bh3 s TRP 198 CO 0.01 -0.58 -0.15 -1.54 -0.51 0.00 0.00 176.95 174.18 3bh3 s SER 199 N -2.19 3.11 0.14 2.95 1.04 0.28 -1.24 113.70 117.79 3bh3 s SER 199 Ca -0.03 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.09 3bh3 s SER 199 Cb -0.00 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.96 3bh3 s SER 199 CO -0.05 -0.11 0.99 0.00 0.98 0.00 0.00 173.24 175.06 3bh3 s ALA 200 N -2.76 -1.70 0.87 5.32 0.00 -1.25 -1.81 121.76 120.44 3bh3 s ALA 200 Ca 0.27 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 3bh3 s ALA 200 Cb -0.02 0.62 0.11 0.00 0.00 0.00 0.00 23.12 23.84 3bh3 s ALA 200 CO 0.12 -1.05 1.12 -2.14 0.00 0.00 0.00 175.76 173.81 3bh3 s PRO 201 N -3.14 1.45 0.05 0.00 0.02 -1.26 -4.21 135.00 127.92 3bh3 s PRO 201 Ca 0.13 1.36 -0.09 0.00 0.02 0.00 0.00 61.00 62.42 3bh3 s PRO 201 Cb -0.01 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.72 3bh3 s PRO 201 CO 0.02 -2.27 0.18 0.20 -0.33 0.00 0.00 177.00 174.80 3bh3 s GLY 202 N -2.98 0.07 0.11 0.52 0.00 -1.26 -1.52 107.32 102.26 3bh3 s GLY 202 Ca 0.64 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.93 3bh3 s GLY 202 CO 0.57 -0.60 0.03 -1.35 0.00 0.00 0.00 173.10 171.75 3bh3 s SER 203 N -2.34 0.43 -0.22 1.64 1.04 0.94 -4.96 113.70 110.23 3bh3 s SER 203 Ca -0.02 -1.15 -0.15 0.00 0.48 0.00 0.00 55.95 55.11 3bh3 s SER 203 Cb 0.01 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.45 3bh3 s SER 203 CO -0.06 -0.68 0.56 -0.22 0.98 0.00 0.00 173.24 173.82 3bh3 s LEU 204 N -3.03 -0.44 -0.01 2.42 2.96 -1.26 -1.55 118.68 117.77 3bh3 s LEU 204 Ca 0.20 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 3bh3 s LEU 204 Cb 0.07 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.68 3bh3 s LEU 204 CO -0.01 -0.21 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.01 3bh3 s GLU 205 N 1.14 0.89 0.08 1.98 2.12 0.10 -5.01 118.70 119.99 3bh3 s GLU 205 Ca -0.07 -0.36 0.09 0.00 0.36 0.00 0.00 54.97 54.99 3bh3 s GLU 205 Cb -0.06 -0.85 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 3bh3 s GLU 205 CO -0.11 0.20 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.06 3bh3 s LEU 206 N -0.14 2.23 0.09 2.70 1.43 -1.26 -1.05 118.68 122.69 3bh3 s LEU 206 Ca 0.02 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.58 3bh3 s LEU 206 Cb -0.05 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 3bh3 s LEU 206 CO -0.00 0.17 -0.24 -1.00 0.23 0.00 0.00 176.35 175.51 3bh3 s HIS 207 N -0.94 2.04 0.61 0.29 3.76 -0.34 -4.93 115.29 115.77 3bh3 s HIS 207 Ca 0.10 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.43 3bh3 s HIS 207 Cb -0.10 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 3bh3 s HIS 207 CO 0.03 0.21 1.22 -2.14 -0.85 0.00 0.00 174.74 173.22 3bh3 s PRO 208 N -1.72 2.83 -0.26 8.40 0.02 -1.26 -4.40 135.00 138.61 3bh3 s PRO 208 Ca 0.10 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 62.82 3bh3 s PRO 208 Cb -0.10 -1.91 0.08 0.00 0.02 0.00 0.00 34.50 32.59 3bh3 s PRO 208 CO 0.04 -1.32 0.65 -1.58 -0.33 0.00 0.00 177.00 174.45 3bh3 s HIS 209 N -1.60 -0.97 0.44 6.54 2.46 -1.26 -4.95 115.29 115.94 3bh3 s HIS 209 Ca 0.78 1.98 0.17 0.00 0.47 0.00 0.00 55.06 58.46 3bh3 s HIS 209 Cb -0.31 0.55 1.09 0.00 -0.13 0.00 0.00 32.58 33.78 3bh3 s HIS 209 CO 0.35 -0.49 1.93 0.00 -2.47 0.00 0.00 174.74 174.06 3bh3 h ALA 210 N 6.85 2.16 -0.01 1.58 0.00 -2.01 -2.80 119.26 125.03 3bh3 h ALA 210 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3bh3 h ALA 210 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3bh3 h ALA 210 CO 0.17 -0.36 -0.05 1.28 0.00 0.00 0.00 179.25 180.29 3bh3 n LEU 211 N -4.47 1.68 -3.19 0.00 4.32 -1.26 -4.66 117.00 109.42 3bh3 n LEU 211 Ca 0.14 -0.94 -0.19 0.00 -0.02 0.00 0.00 56.01 55.00 3bh3 n LEU 211 Cb 0.55 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.31 3bh3 n LEU 211 CO 0.33 0.33 -0.23 0.00 -1.22 0.00 0.00 177.39 176.60 3bh3 n ALA 212 N 0.36 2.11 -0.75 -1.18 0.00 -1.07 -5.03 120.51 114.96 3bh3 n ALA 212 Ca 0.05 -3.43 -0.09 0.00 0.00 0.00 0.00 53.44 49.98 3bh3 n ALA 212 Cb 0.24 -0.91 -0.12 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 0.41 1.50 -0.00 0.00 -0.04 -1.18 -4.36 135.00 131.33 3bh3 n PRO 213 Ca 0.25 -0.73 0.11 0.00 -0.04 0.00 0.00 63.50 63.08 3bh3 n PRO 213 Cb 0.64 -1.85 0.53 0.00 -0.04 0.00 0.00 33.50 32.78 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 2.18 0.94 0.00 0.52 -1.51 -1.86 -2.22 116.25 114.29 3bh3 h VAL 214 Ca 0.14 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 3bh3 h VAL 214 Cb 1.15 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3bh3 h VAL 214 CO 0.28 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.68 3bh3 h ALA 215 N 1.76 1.00 -0.80 5.19 0.00 -1.78 -2.86 119.26 121.77 3bh3 h ALA 215 Ca 0.20 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.33 3bh3 h ALA 215 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3bh3 h ALA 215 CO -0.05 0.00 0.56 0.00 0.00 0.00 0.00 179.25 179.77 3bh3 h ALA 216 N 2.13 2.62 -2.24 0.00 0.00 -1.77 -3.21 119.26 116.79 3bh3 h ALA 216 Ca 0.00 -0.02 -0.76 0.00 0.00 0.00 0.00 54.91 54.13 3bh3 h ALA 216 Cb 0.40 0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.00 3bh3 h ALA 216 CO 0.00 -0.86 -0.07 -0.51 0.00 0.00 0.00 179.25 177.81 3bh3 s LEU 217 N -8.77 6.19 0.43 0.00 1.02 -1.08 -4.89 118.68 111.58 3bh3 s LEU 217 Ca -0.06 -1.97 -0.21 0.00 0.02 0.00 0.00 54.13 51.91 3bh3 s LEU 217 Cb 0.21 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 44.09 3bh3 s LEU 217 CO 0.76 -0.83 0.97 -2.16 0.02 0.00 0.00 176.35 175.12 3bh3 s PRO 218 N 1.43 4.16 -0.77 1.29 0.04 -1.21 -4.96 135.00 134.97 3bh3 s PRO 218 Ca 0.08 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 3bh3 s PRO 218 Cb -0.24 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.15 3bh3 s PRO 218 CO 0.00 -0.10 1.14 0.08 0.04 0.00 0.00 177.00 178.16 3bh3 s VAL 219 N -2.08 4.15 -0.10 -0.36 1.01 -1.26 -4.31 120.40 117.45 3bh3 s VAL 219 Ca 0.62 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 3bh3 s VAL 219 Cb -0.12 -4.82 -0.28 0.00 0.00 0.00 0.00 36.38 31.17 3bh3 s VAL 219 CO 0.16 -1.65 0.56 -0.07 0.00 0.00 0.00 175.10 174.10 3bh3 h LEU 220 N 11.90 0.41 -7.16 3.92 3.38 -1.65 -3.47 115.31 122.63 3bh3 h LEU 220 Ca -0.16 -0.87 -0.08 0.00 0.09 0.00 0.00 57.88 56.87 3bh3 h LEU 220 Cb 1.05 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.45 3bh3 h LEU 220 CO 1.23 1.65 -0.03 -1.83 0.09 0.00 0.00 178.44 179.55 3bh3 s GLU 221 N -2.49 0.73 0.14 1.13 -1.05 -1.14 -4.99 118.70 111.02 3bh3 s GLU 221 Ca -0.19 0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 54.96 3bh3 s GLU 221 Cb 0.05 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 34.02 3bh3 s GLU 221 CO 0.78 -0.12 1.02 0.08 0.95 0.00 0.00 175.26 177.96 3bh3 s VAL 222 N -0.06 4.25 -0.20 1.83 1.01 -1.26 -1.22 120.40 124.76 3bh3 s VAL 222 Ca -0.03 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3bh3 s VAL 222 Cb -0.04 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 3bh3 s VAL 222 CO 0.02 0.30 -0.18 0.18 0.00 0.00 0.00 175.10 175.42 3bh3 n LEU 223 N 2.66 2.81 -3.87 3.92 4.77 0.13 -4.93 117.00 122.48 3bh3 n LEU 223 Ca 0.03 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 3bh3 n LEU 223 Cb 0.48 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3bh3 n LEU 223 CO 0.52 0.79 0.38 -0.94 -1.33 0.00 0.00 177.39 176.81 3bh3 s SER 224 N -6.01 -0.23 -0.02 -1.43 1.04 -1.13 -5.01 113.70 100.91 3bh3 s SER 224 Ca -0.27 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 3bh3 s SER 224 Cb 0.07 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.88 3bh3 s SER 224 CO 0.44 -1.26 0.08 0.00 0.98 0.00 0.00 173.24 173.48 3bh3 s ALA 225 N -3.94 -0.20 0.01 5.32 0.00 -1.26 -1.70 121.76 119.99 3bh3 s ALA 225 Ca 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 3bh3 s ALA 225 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3bh3 s ALA 225 CO 0.06 -0.07 0.04 -0.98 0.00 0.00 0.00 175.76 174.81 3bh3 s ARG 226 N -0.23 0.32 -0.05 0.00 1.70 -0.51 -3.75 118.95 116.44 3bh3 s ARG 226 Ca -0.03 -0.43 0.02 0.00 -0.47 0.00 0.00 55.73 54.82 3bh3 s ARG 226 Cb -0.02 0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.50 3bh3 s ARG 226 CO 0.00 -0.06 -0.10 -1.58 -1.08 0.00 0.00 175.30 172.48 3bh3 s HIS 227 N -1.18 1.18 0.07 5.89 5.65 -0.38 -0.55 115.29 125.97 3bh3 s HIS 227 Ca -0.13 -0.38 -0.23 0.00 0.25 0.00 0.00 55.06 54.56 3bh3 s HIS 227 Cb -0.08 -0.89 0.06 0.00 -1.18 0.00 0.00 32.58 30.50 3bh3 s HIS 227 CO -0.00 -0.21 0.56 -0.59 -0.65 0.00 0.00 174.74 173.85 3bh3 s PHE 228 N 0.59 -0.48 0.05 3.88 -0.71 -0.83 -0.70 117.98 119.79 3bh3 s PHE 228 Ca -0.11 0.49 0.08 0.00 -1.04 0.00 0.00 56.93 56.35 3bh3 s PHE 228 Cb -0.14 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 3bh3 s PHE 228 CO 0.02 -0.70 -0.22 0.08 -1.34 0.00 0.00 175.22 173.06 3bh3 s VAL 229 N -2.73 1.75 0.09 -2.49 1.01 -0.70 -0.36 120.40 116.98 3bh3 s VAL 229 Ca -0.04 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 3bh3 s VAL 229 Cb -0.00 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.93 3bh3 s VAL 229 CO -0.04 0.19 0.74 0.00 0.00 0.00 0.00 175.10 175.99 3bh3 s ASP 231 N -2.64 6.37 -0.26 0.00 1.11 -0.08 -1.20 116.67 119.98 3bh3 s ASP 231 Ca 0.03 0.47 -0.28 0.00 0.18 0.00 0.00 52.55 52.95 3bh3 s ASP 231 Cb -0.01 -2.04 0.17 0.00 1.07 0.00 0.00 42.92 42.11 3bh3 s ASP 231 CO -0.10 -0.15 1.25 -0.22 1.18 0.00 0.00 175.17 177.13 3bh3 s LEU 232 N -3.68 -0.17 -0.12 1.23 0.20 0.04 -1.66 118.68 114.53 3bh3 s LEU 232 Ca 0.40 0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.46 3bh3 s LEU 232 Cb -0.10 1.37 -0.01 0.00 -0.43 0.00 0.00 46.19 47.02 3bh3 s LEU 232 CO 0.31 -0.12 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.21 3bh3 s THR 233 N -0.69 2.88 -0.62 3.68 2.01 0.33 0.43 115.64 123.65 3bh3 s THR 233 Ca 0.05 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 3bh3 s THR 233 Cb -0.02 -2.19 0.08 0.00 0.01 0.00 0.00 72.50 70.38 3bh3 s THR 233 CO -0.07 0.53 0.86 -0.22 -0.69 0.00 0.00 174.62 175.04 3bh3 s LEU 234 N 0.30 4.69 0.51 4.42 0.20 -0.76 -0.48 118.68 127.56 3bh3 s LEU 234 Ca -0.12 -1.07 -0.20 0.00 0.69 0.00 0.00 54.13 53.43 3bh3 s LEU 234 Cb -0.16 -2.42 -0.07 0.00 -0.43 0.00 0.00 46.19 43.11 3bh3 s LEU 234 CO 0.06 -1.30 1.10 -1.81 -0.29 0.00 0.00 176.35 174.11 3bh3 s ASP 235 N 3.54 6.02 0.52 3.68 -0.00 -0.85 -4.25 116.67 125.33 3bh3 s ASP 235 Ca 0.19 2.10 -0.23 0.00 -0.00 0.00 0.00 52.55 54.61 3bh3 s ASP 235 Cb -0.19 -2.58 -0.06 0.00 -0.00 0.00 0.00 42.92 40.10 3bh3 s ASP 235 CO 0.10 -1.01 1.36 -0.76 -0.00 0.00 0.00 175.17 174.86 3bh3 s LEU 236 N -3.57 3.92 0.70 1.23 1.43 -1.26 -4.45 118.68 116.68 3bh3 s LEU 236 Ca 0.69 2.78 -0.01 0.00 -1.03 0.00 0.00 54.13 56.57 3bh3 s LEU 236 Cb -0.22 -4.19 0.11 0.00 0.03 0.00 0.00 46.19 41.93 3bh3 s LEU 236 CO 0.25 -1.44 0.97 -0.83 0.23 0.00 0.00 176.35 175.53 3bh3 s GLY 237 N -0.87 1.77 0.04 -3.19 0.00 -1.26 -4.74 107.32 99.07 3bh3 s GLY 237 Ca 0.69 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.78 3bh3 s GLY 237 CO 0.49 -1.14 -0.13 -0.51 0.00 0.00 0.00 173.10 171.81 3bh3 s THR 238 N -3.09 0.99 0.07 0.90 -4.23 1.00 -4.92 115.64 106.35 3bh3 s THR 238 Ca 0.65 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 3bh3 s THR 238 Cb -0.06 -0.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 3bh3 s THR 238 CO 0.44 -0.06 1.23 -0.69 -0.54 0.00 0.00 174.62 175.00 3bh3 s VAL 239 N -0.91 3.90 0.00 2.29 1.01 -1.26 0.14 120.40 125.58 3bh3 s VAL 239 Ca -0.00 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3bh3 s VAL 239 Cb -0.08 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3bh3 s VAL 239 CO 0.01 0.11 0.01 1.33 0.00 0.00 0.00 175.10 176.57 3bh3 n VAL 240 N 3.87 0.00 -3.66 2.92 0.24 -0.36 -4.89 118.33 116.45 3bh3 n VAL 240 Ca 0.09 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3bh3 n VAL 240 Cb 0.46 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.77 -0.88 -0.34 6.34 5.36 -1.15 -4.99 117.98 121.55 3bh3 s PHE 241 Ca 0.00 1.74 -0.03 0.00 -0.96 0.00 0.00 56.93 57.68 3bh3 s PHE 241 Cb 0.00 0.46 0.07 0.00 -0.34 0.00 0.00 43.02 43.21 3bh3 s PHE 241 CO 0.00 -0.47 0.08 0.34 -1.46 0.00 0.00 175.22 173.71 3bh3 s ASP 242 N 1.89 5.09 0.28 6.13 2.15 -1.26 0.34 116.67 131.28 3bh3 s ASP 242 Ca -0.08 -1.48 0.19 0.00 0.43 0.00 0.00 52.55 51.62 3bh3 s ASP 242 Cb -0.08 -1.78 1.02 0.00 -0.30 0.00 0.00 42.92 41.78 3bh3 s ASP 242 CO -0.16 -0.36 1.59 -1.22 -0.17 0.00 0.00 175.17 174.85 3bh3 n TYR 243 N 4.65 0.65 -1.24 -5.34 4.01 -0.18 -2.48 117.16 117.24 3bh3 n TYR 243 Ca -0.10 0.33 0.04 0.00 -0.16 0.00 0.00 57.90 58.02 3bh3 n TYR 243 Cb 0.43 -1.03 0.21 0.00 -0.31 0.00 0.00 39.34 38.64 3bh3 n TYR 243 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3bh3 n LEU 244 N -2.16 3.51 0.00 7.72 4.77 -1.24 -5.06 117.00 124.53 3bh3 n LEU 244 Ca -0.01 -3.40 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 3bh3 n LEU 244 Cb 0.05 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3bh3 n LEU 244 CO 0.09 0.97 0.09 -1.14 -1.33 0.00 0.00 177.39 176.07