#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bm9 n ASP 3 N 0.00 0.11 0.05 6.41 8.00 -1.26 -3.92 116.55 125.94 2bm9 n ASP 3 Ca 0.00 0.55 -0.14 0.00 0.71 0.00 0.00 54.79 55.91 2bm9 n ASP 3 Cb 0.00 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.47 2bm9 n ASP 3 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2bm9 h TYR 4 N 0.00 -1.24 -0.09 1.24 -0.00 -2.06 -3.14 116.97 111.67 2bm9 h TYR 4 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 2bm9 h TYR 4 Cb 0.05 0.55 0.00 0.00 -0.00 0.00 0.00 36.73 37.33 2bm9 h TYR 4 CO 0.00 -0.51 0.00 -1.13 -0.00 0.00 0.00 178.16 176.52 2bm9 n SER 5 N -5.45 1.70 -2.16 0.10 3.41 -1.25 -3.54 113.62 106.42 2bm9 n SER 5 Ca -0.06 -1.63 -0.27 0.00 -0.26 0.00 0.00 58.87 56.65 2bm9 n SER 5 Cb 0.37 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.39 2bm9 n SER 5 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2bm9 n ARG 6 N 0.33 2.51 -3.74 4.33 1.85 -1.19 -4.95 116.66 115.80 2bm9 n ARG 6 Ca 0.18 -3.24 -0.13 0.00 -1.00 0.00 0.00 57.85 53.66 2bm9 n ARG 6 Cb 0.36 -2.20 -0.10 0.00 -1.05 0.00 0.00 32.46 29.47 2bm9 n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2bm9 s GLN 7 N -3.56 0.47 -0.16 2.89 -0.21 -1.23 -5.07 119.66 112.79 2bm9 s GLN 7 Ca 0.59 0.48 -0.09 0.00 0.02 0.00 0.00 55.36 56.36 2bm9 s GLN 7 Cb 0.48 0.23 -0.05 0.00 1.00 0.00 0.00 33.01 34.67 2bm9 s GLN 7 CO 0.04 -0.06 0.15 1.21 -2.12 0.00 0.00 175.29 174.51 2bm9 s ASN 8 N 0.09 6.31 0.24 5.90 3.04 -1.26 -5.04 114.94 124.22 2bm9 s ASN 8 Ca -0.01 0.36 0.05 0.00 0.04 0.00 0.00 52.86 53.31 2bm9 s ASN 8 Cb -0.03 -2.09 -0.03 0.00 -1.54 0.00 0.00 41.25 37.56 2bm9 s ASN 8 CO 0.01 0.27 0.31 -0.36 -3.04 0.00 0.00 177.10 174.29 2bm9 s PHE 9 N -0.23 3.36 0.27 0.43 0.40 -1.26 -5.12 117.98 115.82 2bm9 s PHE 9 Ca 0.12 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.44 2bm9 s PHE 9 Cb -0.12 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.91 2bm9 s PHE 9 CO 0.01 0.47 0.25 1.04 0.70 0.00 0.00 175.22 177.69 2bm9 n GLN 10 N -1.29 1.01 -3.82 0.44 6.02 -1.26 -5.11 117.38 113.37 2bm9 n GLN 10 Ca -0.09 -1.58 -0.35 0.00 -0.01 0.00 0.00 57.00 54.97 2bm9 n GLN 10 Cb 0.57 0.08 -0.08 0.00 1.02 0.00 0.00 30.24 31.83 2bm9 n GLN 10 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bm9 s ASP 11 N -2.59 6.04 0.00 1.08 3.68 -1.26 -4.98 116.67 118.64 2bm9 s ASP 11 Ca 0.19 0.19 0.09 0.00 2.13 0.00 0.00 52.55 55.15 2bm9 s ASP 11 Cb -0.02 -2.05 -0.03 0.00 -1.45 0.00 0.00 42.92 39.37 2bm9 s ASP 11 CO 0.12 0.18 0.51 0.18 0.13 0.00 0.00 175.17 176.30 2bm9 n LEU 12 N 3.48 0.88 0.24 -1.34 4.32 -1.26 -4.26 117.00 119.06 2bm9 n LEU 12 Ca -0.16 -0.67 0.14 0.00 -0.02 0.00 0.00 56.01 55.30 2bm9 n LEU 12 Cb 0.52 0.00 0.80 0.00 -1.62 0.00 0.00 43.42 43.12 2bm9 n LEU 12 CO 0.36 0.19 1.12 0.78 -1.22 0.00 0.00 177.39 178.62 2bm9 h ASN 13 N 0.64 0.00 -0.70 -1.43 2.35 -2.01 -3.01 115.58 111.43 2bm9 h ASN 13 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2bm9 h ASN 13 Cb 0.27 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 2bm9 h ASN 13 CO 0.00 0.00 0.33 -0.07 -1.65 0.00 0.00 177.43 176.04 2bm9 h LEU 14 N 0.00 0.42 0.00 1.61 4.07 -2.02 -2.62 115.31 116.77 2bm9 h LEU 14 Ca 0.04 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2bm9 h LEU 14 Cb 0.21 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2bm9 h LEU 14 CO -0.00 0.24 0.00 0.49 -1.08 0.00 0.00 178.44 178.09 2bm9 n PHE 15 N -4.89 0.00 -1.58 1.13 0.99 -1.13 -4.85 117.46 107.12 2bm9 n PHE 15 Ca 0.11 0.00 -0.50 0.00 -0.00 0.00 0.00 57.45 57.05 2bm9 n PHE 15 Cb 0.28 -0.09 -0.06 0.00 -1.00 0.00 0.00 39.48 38.61 2bm9 n PHE 15 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2bm9 n ARG 16 N -1.09 1.53 -0.13 -1.08 1.74 -0.99 -0.71 116.66 115.93 2bm9 n ARG 16 Ca 0.19 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2bm9 n ARG 16 Cb 0.14 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 2bm9 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm9 n GLY 17 N 5.37 1.56 1.04 -0.13 0.00 -1.26 -4.86 105.19 106.90 2bm9 n GLY 17 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.33 2bm9 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bm9 n LEU 18 N 0.00 1.13 0.00 0.99 4.77 0.11 -5.10 117.00 118.90 2bm9 n LEU 18 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2bm9 n LEU 18 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2bm9 n LEU 18 CO 0.00 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 2bm9 n GLY 19 N 3.48 2.54 0.27 -0.72 0.00 -0.73 -4.89 105.19 105.15 2bm9 n GLY 19 Ca -0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.39 2bm9 n GLY 19 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2bm9 h GLU 20 N 0.00 0.00 -4.58 1.61 4.11 -2.00 -3.41 114.58 110.32 2bm9 h GLU 20 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 2bm9 h GLU 20 Cb 0.00 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.89 2bm9 h GLU 20 CO 0.00 0.02 -0.83 0.34 0.07 0.00 0.00 179.01 178.61 2bm9 s ASP 21 N -6.73 2.47 0.44 3.06 -1.08 -1.26 -5.02 116.67 108.55 2bm9 s ASP 21 Ca -0.05 -0.42 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 2bm9 s ASP 21 Cb 0.16 -1.06 0.79 0.00 -1.46 0.00 0.00 42.92 41.35 2bm9 s ASP 21 CO 0.63 -0.05 1.77 1.55 0.52 0.00 0.00 175.17 179.59 2bm9 h PRO 22 N 7.89 0.00 -6.70 4.34 0.13 -1.91 -3.44 132.00 132.31 2bm9 h PRO 22 Ca -0.34 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.28 2bm9 h PRO 22 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2bm9 h PRO 22 CO 0.49 0.18 0.41 0.00 -0.23 0.00 0.00 178.00 178.85 2bm9 s ALA 23 N -3.48 3.34 0.05 -0.56 0.00 -1.26 -4.35 121.76 115.50 2bm9 s ALA 23 Ca 0.02 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 2bm9 s ALA 23 Cb 0.09 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2bm9 s ALA 23 CO 0.64 -0.01 1.57 -0.47 0.00 0.00 0.00 175.76 177.49 2bm9 s TYR 24 N -0.72 2.57 -0.07 0.00 5.04 -1.26 -4.89 117.35 118.03 2bm9 s TYR 24 Ca 0.45 0.49 0.05 0.00 -2.44 0.00 0.00 57.07 55.62 2bm9 s TYR 24 Cb -0.27 -3.86 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 2bm9 s TYR 24 CO 0.34 -3.39 -0.23 -1.01 -1.34 0.00 0.00 175.55 169.92 2bm9 s HIS 25 N 2.55 2.30 0.89 4.97 3.76 -1.26 -4.98 115.29 123.52 2bm9 s HIS 25 Ca 0.70 -0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 2bm9 s HIS 25 Cb -0.37 -1.53 0.13 0.00 1.11 0.00 0.00 32.58 31.92 2bm9 s HIS 25 CO 0.30 -0.27 1.10 -1.25 -0.85 0.00 0.00 174.74 173.78 2bm9 s PRO 26 N 0.05 1.31 0.59 8.40 0.04 -1.26 -5.01 135.00 139.11 2bm9 s PRO 26 Ca -0.08 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 2bm9 s PRO 26 Cb -0.15 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2bm9 s PRO 26 CO 0.05 -2.16 1.12 -1.25 0.04 0.00 0.00 177.00 174.80 2bm9 s PRO 27 N -5.05 3.15 0.11 0.56 0.04 -1.26 -5.07 135.00 127.48 2bm9 s PRO 27 Ca 0.63 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.26 2bm9 s PRO 27 Cb -0.17 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2bm9 s PRO 27 CO 0.56 -1.00 -0.14 0.08 0.04 0.00 0.00 177.00 176.54 2bm9 s VAL 28 N -1.98 1.27 0.03 -0.36 1.01 -1.26 -5.16 120.40 113.95 2bm9 s VAL 28 Ca 0.71 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2bm9 s VAL 28 Cb -0.23 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2bm9 s VAL 28 CO 0.32 -0.41 0.23 -0.76 0.00 0.00 0.00 175.10 174.49 2bm9 s LEU 29 N -2.37 4.36 0.00 3.92 1.02 -1.26 -4.80 118.68 119.55 2bm9 s LEU 29 Ca 0.07 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.62 2bm9 s LEU 29 Cb -0.05 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.37 2bm9 s LEU 29 CO 0.03 0.21 0.00 0.41 0.02 0.00 0.00 176.35 177.02 2bm9 n THR 30 N 0.72 0.00 0.76 5.49 -1.04 -1.26 -4.89 114.28 114.05 2bm9 n THR 30 Ca -0.08 0.05 0.13 0.00 -2.04 0.00 0.00 64.05 62.11 2bm9 n THR 30 Cb 0.52 -0.87 0.49 0.00 -1.82 0.00 0.00 70.33 68.65 2bm9 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2bm9 n ASP 31 N -1.87 0.44 -4.64 8.00 5.68 -1.26 -4.79 116.55 118.11 2bm9 n ASP 31 Ca 0.00 0.55 -0.28 0.00 -0.50 0.00 0.00 54.79 54.56 2bm9 n ASP 31 Cb 0.00 -0.66 -0.10 0.00 -1.14 0.00 0.00 41.12 39.21 2bm9 n ASP 31 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2bm9 s ARG 32 N -3.07 2.00 0.58 0.11 3.00 -1.26 -5.15 118.95 115.16 2bm9 s ARG 32 Ca 0.11 -2.10 -0.07 0.00 0.00 0.00 0.00 55.73 53.68 2bm9 s ARG 32 Cb 0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 34.95 33.42 2bm9 s ARG 32 CO 0.54 -0.07 0.91 -1.25 0.00 0.00 0.00 175.30 175.43 2bm9 s PRO 33 N -3.74 3.07 0.28 3.54 0.04 -1.26 -4.90 135.00 132.03 2bm9 s PRO 33 Ca 0.34 0.12 0.13 0.00 0.04 0.00 0.00 61.00 61.63 2bm9 s PRO 33 Cb 0.09 -2.26 0.32 0.00 0.04 0.00 0.00 34.50 32.69 2bm9 s PRO 33 CO 0.18 -0.63 1.57 -0.09 0.04 0.00 0.00 177.00 178.07 2bm9 h ARG 34 N -0.15 0.00 -3.29 4.56 2.43 -1.99 -3.40 114.38 112.53 2bm9 h ARG 34 Ca -0.46 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 57.96 2bm9 h ARG 34 Cb 1.24 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.48 2bm9 h ARG 34 CO 0.61 0.60 0.26 -0.25 -1.51 0.00 0.00 179.97 179.69 2bm9 n ASP 35 N -3.59 5.11 -4.72 -3.80 8.00 -1.26 -5.04 116.55 111.25 2bm9 n ASP 35 Ca -0.00 -3.16 -0.42 0.00 0.71 0.00 0.00 54.79 51.92 2bm9 n ASP 35 Cb 0.65 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 2bm9 n ASP 35 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2bm9 s TRP 36 N -1.64 3.17 0.23 1.24 -0.11 -1.26 -4.97 118.94 115.59 2bm9 s TRP 36 Ca 0.30 0.92 -0.30 0.00 1.22 0.00 0.00 56.10 58.25 2bm9 s TRP 36 Cb -0.05 -3.75 -0.09 0.00 -1.50 0.00 0.00 33.47 28.08 2bm9 s TRP 36 CO -0.06 -2.61 1.15 -1.25 -4.62 0.00 0.00 176.95 169.56 2bm9 s PRO 37 N 0.70 4.55 0.17 5.86 0.04 -1.26 -4.93 135.00 140.14 2bm9 s PRO 37 Ca 0.64 1.85 0.24 0.00 0.04 0.00 0.00 61.00 63.77 2bm9 s PRO 37 Cb -0.39 -3.21 0.91 0.00 0.04 0.00 0.00 34.50 31.84 2bm9 s PRO 37 CO 0.34 0.05 1.72 1.28 0.04 0.00 0.00 177.00 180.43 2bm9 n LEU 38 N 1.85 0.53 0.18 -3.56 4.32 -1.26 -2.43 117.00 116.64 2bm9 n LEU 38 Ca 0.02 0.59 0.03 0.00 -0.02 0.00 0.00 56.01 56.63 2bm9 n LEU 38 Cb 0.45 -0.47 0.39 0.00 -1.62 0.00 0.00 43.42 42.16 2bm9 n LEU 38 CO 0.55 -0.32 0.78 -2.24 -1.22 0.00 0.00 177.39 174.93 2bm9 h ASP 39 N 0.00 0.03 -1.07 -1.43 2.03 -2.04 -3.04 116.42 110.90 2bm9 h ASP 39 Ca 0.00 -0.01 -0.62 0.00 -0.73 0.00 0.00 57.03 55.67 2bm9 h ASP 39 Cb 0.48 -0.01 -0.37 0.00 -0.83 0.00 0.00 39.33 38.61 2bm9 h ASP 39 CO 0.00 0.34 -0.08 0.54 -1.03 0.00 0.00 179.24 179.01 2bm9 n ARG 40 N -4.16 3.21 -0.29 4.15 1.74 -1.02 -4.84 116.66 115.45 2bm9 n ARG 40 Ca -0.02 -3.88 0.07 0.00 -0.77 0.00 0.00 57.85 53.25 2bm9 n ARG 40 Cb 0.36 -2.28 0.22 0.00 -1.02 0.00 0.00 32.46 29.74 2bm9 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2bm9 h TRP 41 N 2.27 0.70 0.00 -1.55 7.01 -1.57 -1.88 115.95 120.93 2bm9 h TRP 41 Ca 0.45 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.44 2bm9 h TRP 41 Cb 1.06 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 2bm9 h TRP 41 CO 1.06 0.14 -0.26 0.00 -2.79 0.00 0.00 178.44 176.59 2bm9 h ALA 42 N 1.57 1.21 0.00 2.65 0.00 -1.89 -2.74 119.26 120.05 2bm9 h ALA 42 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2bm9 h ALA 42 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bm9 h ALA 42 CO -0.38 0.32 0.00 0.93 0.00 0.00 0.00 179.25 180.12 2bm9 h GLU 43 N 0.00 0.00 -6.32 0.00 5.08 -1.73 -3.46 114.58 108.14 2bm9 h GLU 43 Ca -0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2bm9 h GLU 43 Cb 0.60 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.90 2bm9 h GLU 43 CO 0.03 0.00 0.69 0.00 -1.00 0.00 0.00 179.01 178.73 2bm9 n ALA 44 N -1.82 0.04 -1.65 3.43 0.00 -1.04 -4.92 120.51 114.55 2bm9 n ALA 44 Ca 0.03 0.45 -0.44 0.00 0.00 0.00 0.00 53.44 53.49 2bm9 n ALA 44 Cb 0.33 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 2bm9 n ALA 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bm9 n PRO 45 N 3.63 1.78 -0.00 0.00 -0.02 -1.26 -4.94 135.00 134.19 2bm9 n PRO 45 Ca 0.20 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 2bm9 n PRO 45 Cb 0.22 -2.14 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2bm9 n PRO 45 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bm9 n ARG 46 N 0.89 1.13 -2.04 -0.52 1.74 -1.26 -4.98 116.66 111.62 2bm9 n ARG 46 Ca 0.08 -1.42 -0.29 0.00 -0.77 0.00 0.00 57.85 55.46 2bm9 n ARG 46 Cb 0.33 -1.29 0.17 0.00 -1.02 0.00 0.00 32.46 30.65 2bm9 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2bm9 s ASP 47 N -1.26 3.33 -0.00 0.55 1.47 -1.26 -5.05 116.67 114.45 2bm9 s ASP 47 Ca 0.18 0.17 -0.10 0.00 1.18 0.00 0.00 52.55 53.97 2bm9 s ASP 47 Cb 0.13 -0.27 -0.06 0.00 -0.34 0.00 0.00 42.92 42.38 2bm9 s ASP 47 CO 0.19 -2.59 0.76 0.25 0.68 0.00 0.00 175.17 174.46 2bm9 h LEU 48 N -1.46 -0.32 0.00 2.11 5.85 -2.05 -3.49 115.31 115.96 2bm9 h LEU 48 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2bm9 h LEU 48 Cb 1.24 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2bm9 h LEU 48 CO 0.39 -0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.96 2bm9 n GLY 49 N -0.03 0.97 3.68 3.75 0.00 -1.26 -5.12 105.19 107.18 2bm9 n GLY 49 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2bm9 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bm9 s TYR 50 N -2.00 -0.26 -0.58 1.61 -0.85 -1.26 -4.54 117.35 109.47 2bm9 s TYR 50 Ca 0.00 -0.04 -0.34 0.00 -0.52 0.00 0.00 57.07 56.17 2bm9 s TYR 50 Cb 0.00 0.63 -0.15 0.00 0.38 0.00 0.00 41.96 42.81 2bm9 s TYR 50 CO 0.00 -0.90 2.35 -1.13 -1.52 0.00 0.00 175.55 174.36 2bm9 n SER 51 N -0.41 1.38 -0.40 -0.18 3.41 -1.26 -4.79 113.62 111.37 2bm9 n SER 51 Ca -0.08 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2bm9 n SER 51 Cb 0.61 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2bm9 n SER 51 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bm9 n ASP 52 N 10.49 0.72 0.22 4.04 5.75 -1.26 -4.32 116.55 132.19 2bm9 n ASP 52 Ca 0.50 -1.80 -0.09 0.00 -0.01 0.00 0.00 54.79 53.39 2bm9 n ASP 52 Cb 0.17 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 2bm9 n ASP 52 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2bm9 h PHE 53 N 0.08 -0.54 -1.14 2.11 -0.00 -2.06 -3.41 116.94 111.98 2bm9 h PHE 53 Ca 0.00 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.97 57.56 2bm9 h PHE 53 Cb 0.36 0.18 -0.29 0.00 -0.00 0.00 0.00 35.95 36.21 2bm9 h PHE 53 CO 0.00 -0.34 -0.85 0.45 -0.00 0.00 0.00 178.31 177.57 2bm9 n SER 54 N -4.00 -0.91 0.20 0.41 2.88 -1.26 -4.96 113.62 105.98 2bm9 n SER 54 Ca -0.07 -3.10 0.12 0.00 -1.33 0.00 0.00 58.87 54.49 2bm9 n SER 54 Cb 0.23 0.45 0.19 0.00 -0.75 0.00 0.00 64.21 64.34 2bm9 n SER 54 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2bm9 h PRO 55 N 3.60 0.00 -7.31 -1.46 0.13 -1.81 -3.47 132.00 121.69 2bm9 h PRO 55 Ca -0.01 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.61 2bm9 h PRO 55 Cb 0.98 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.25 2bm9 h PRO 55 CO 0.38 0.00 0.30 0.71 -0.23 0.00 0.00 178.00 179.16 2bm9 s TYR 56 N -3.20 2.39 0.33 1.56 1.51 -1.26 -4.94 117.35 113.73 2bm9 s TYR 56 Ca 0.07 1.59 -0.18 0.00 -1.01 0.00 0.00 57.07 57.54 2bm9 s TYR 56 Cb 0.06 -3.10 0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2bm9 s TYR 56 CO 0.67 -2.01 0.75 1.14 -1.11 0.00 0.00 175.55 174.98 2bm9 s GLN 57 N -4.86 1.98 -0.29 -0.62 -2.07 -1.26 -2.28 119.66 110.26 2bm9 s GLN 57 Ca 0.62 -1.19 -0.03 0.00 -1.82 0.00 0.00 55.36 52.93 2bm9 s GLN 57 Cb -0.18 0.61 0.17 0.00 -1.09 0.00 0.00 33.01 32.52 2bm9 s GLN 57 CO 0.56 -0.92 0.58 -0.46 -1.32 0.00 0.00 175.29 173.74 2bm9 s TRP 58 N -3.22 -1.43 -1.45 9.60 -0.11 -0.71 -4.81 118.94 116.80 2bm9 s TRP 58 Ca 0.13 1.75 -0.06 0.00 1.22 0.00 0.00 56.10 59.14 2bm9 s TRP 58 Cb -0.06 0.55 0.03 0.00 -1.50 0.00 0.00 33.47 32.49 2bm9 s TRP 58 CO 0.09 -0.80 0.51 0.54 -4.62 0.00 0.00 176.95 172.66 2bm9 n ARG 59 N 5.43 -4.12 -0.62 5.86 1.74 -1.26 -2.16 116.66 121.53 2bm9 n ARG 59 Ca -0.04 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2bm9 n ARG 59 Cb 0.50 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 2bm9 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm9 n GLY 60 N -1.35 0.75 3.57 -0.13 0.00 -1.26 -5.05 105.19 101.73 2bm9 n GLY 60 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2bm9 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bm9 s LEU 61 N 0.00 3.08 0.66 0.99 1.43 -0.92 -4.32 118.68 119.61 2bm9 s LEU 61 Ca 0.00 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2bm9 s LEU 61 Cb 0.00 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2bm9 s LEU 61 CO 0.00 0.27 1.06 0.54 0.23 0.00 0.00 176.35 178.45 2bm9 n ARG 62 N 1.50 0.79 -4.16 1.70 1.74 -1.26 -1.74 116.66 115.23 2bm9 n ARG 62 Ca -0.15 0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 57.03 2bm9 n ARG 62 Cb 0.52 -2.29 -0.17 0.00 -1.02 0.00 0.00 32.46 29.51 2bm9 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2bm9 s MET 63 N -3.16 1.02 -0.07 5.56 -1.94 -0.97 -4.24 119.30 115.50 2bm9 s MET 63 Ca 0.77 -0.14 0.16 0.00 -1.71 0.00 0.00 55.69 54.77 2bm9 s MET 63 Cb -0.38 -1.02 -0.22 0.00 2.01 0.00 0.00 34.83 35.22 2bm9 s MET 63 CO 0.46 -0.11 0.50 1.28 -0.01 0.00 0.00 175.02 177.14 2bm9 n LEU 64 N 4.24 0.55 -4.69 -0.03 4.32 -1.26 -4.34 117.00 115.78 2bm9 n LEU 64 Ca -0.21 0.25 -0.42 0.00 -0.02 0.00 0.00 56.01 55.61 2bm9 n LEU 64 Cb 0.51 0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 42.52 2bm9 n LEU 64 CO 0.21 0.35 0.92 -0.54 -1.22 0.00 0.00 177.39 177.11 2bm9 s LYS 65 N -2.69 4.38 0.92 3.23 1.02 -1.26 -5.02 119.74 120.33 2bm9 s LYS 65 Ca -0.06 1.67 -0.15 0.00 0.02 0.00 0.00 55.97 57.45 2bm9 s LYS 65 Cb 0.08 -3.50 0.16 0.00 -0.52 0.00 0.00 37.83 34.05 2bm9 s LYS 65 CO 0.83 -0.38 1.25 0.16 -0.92 0.00 0.00 175.35 176.30 2bm9 s ASP 66 N 1.35 3.49 0.45 2.83 1.47 -1.26 -4.73 116.67 120.27 2bm9 s ASP 66 Ca 0.56 0.50 0.12 0.00 1.18 0.00 0.00 52.55 54.92 2bm9 s ASP 66 Cb -0.25 -0.73 1.03 0.00 -0.34 0.00 0.00 42.92 42.62 2bm9 s ASP 66 CO 0.24 -2.52 2.05 -0.65 0.68 0.00 0.00 175.17 174.97 2bm9 h PRO 67 N -1.49 0.16 -0.02 2.11 0.11 -1.99 -1.21 132.00 129.67 2bm9 h PRO 67 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2bm9 h PRO 67 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bm9 h PRO 67 CO 0.49 0.19 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.00 2bm9 h ASP 68 N 0.16 0.07 -0.47 -2.05 5.19 -1.94 -1.60 116.42 115.76 2bm9 h ASP 68 Ca 0.04 -0.51 0.08 0.00 -0.62 0.00 0.00 57.03 56.01 2bm9 h ASP 68 Cb 0.14 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.57 2bm9 h ASP 68 CO 0.00 0.57 0.10 0.74 -3.12 0.00 0.00 179.24 177.53 2bm9 h THR 69 N -0.43 0.75 -0.36 0.35 2.02 -1.83 -1.34 112.91 112.06 2bm9 h THR 69 Ca 0.00 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.18 2bm9 h THR 69 Cb 0.55 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 2bm9 h THR 69 CO 0.01 0.04 -0.24 1.56 0.37 0.00 0.00 175.52 177.26 2bm9 h GLN 70 N 0.24 -0.18 -0.53 6.66 4.20 -1.20 -1.72 115.11 122.58 2bm9 h GLN 70 Ca 0.23 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.06 2bm9 h GLN 70 Cb 0.30 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.04 2bm9 h GLN 70 CO -0.30 -0.12 0.01 0.00 -0.67 0.00 0.00 178.83 177.75 2bm9 h ALA 71 N 0.97 0.52 -0.47 3.87 0.00 -0.34 -1.18 119.26 122.63 2bm9 h ALA 71 Ca 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2bm9 h ALA 71 Cb 0.46 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2bm9 h ALA 71 CO -0.47 -0.38 0.18 0.28 0.00 0.00 0.00 179.25 178.86 2bm9 h VAL 72 N 0.13 1.21 0.00 0.00 2.07 -0.73 -1.28 116.25 117.65 2bm9 h VAL 72 Ca 0.27 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2bm9 h VAL 72 Cb 0.41 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2bm9 h VAL 72 CO -0.44 0.25 -0.03 1.88 0.02 0.00 0.00 177.57 179.25 2bm9 h TYR 73 N 0.61 0.00 0.40 1.57 0.99 -0.65 0.52 116.97 120.41 2bm9 h TYR 73 Ca 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 2bm9 h TYR 73 Cb 0.21 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.95 2bm9 h TYR 73 CO 0.01 0.03 -0.19 1.25 -0.00 0.00 0.00 178.16 179.25 2bm9 h HIS 74 N 0.00 -0.50 -0.91 4.88 2.76 -0.10 -1.51 115.15 119.77 2bm9 h HIS 74 Ca -0.00 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.41 2bm9 h HIS 74 Cb 0.40 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.39 2bm9 h HIS 74 CO 0.00 -0.31 0.35 -0.44 -1.30 0.00 0.00 177.93 176.23 2bm9 h ASP 75 N -0.88 0.20 0.43 3.26 3.32 -1.23 -0.72 116.42 120.79 2bm9 h ASP 75 Ca -0.05 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2bm9 h ASP 75 Cb 0.41 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2bm9 h ASP 75 CO 0.09 -0.11 -0.21 -0.03 -1.72 0.00 0.00 179.24 177.26 2bm9 h MET 76 N 0.28 -0.56 -0.98 3.56 4.05 -0.92 -2.14 114.93 118.23 2bm9 h MET 76 Ca 0.60 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 60.08 2bm9 h MET 76 Cb 1.23 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.11 2bm9 h MET 76 CO -0.62 -0.30 0.65 -0.07 0.23 0.00 0.00 176.91 176.80 2bm9 h LEU 77 N -0.73 1.10 -0.74 3.39 4.07 -0.49 -0.91 115.31 121.00 2bm9 h LEU 77 Ca -0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 2bm9 h LEU 77 Cb 0.52 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 2bm9 h LEU 77 CO 0.10 0.78 0.31 -0.25 -1.08 0.00 0.00 178.44 178.29 2bm9 h TRP 78 N 1.29 1.11 -0.06 1.13 2.91 -1.10 0.34 115.95 121.57 2bm9 h TRP 78 Ca 0.37 -0.08 -0.19 0.00 1.13 0.00 0.00 58.89 60.12 2bm9 h TRP 78 Cb -0.09 -0.34 0.01 0.00 -0.51 0.00 0.00 29.16 28.24 2bm9 h TRP 78 CO -0.00 0.84 -0.71 1.49 -1.03 0.00 0.00 178.44 179.03 2bm9 h GLU 79 N 1.06 0.59 0.10 2.65 4.81 -0.91 -3.39 114.58 119.49 2bm9 h GLU 79 Ca 0.25 -0.55 -0.36 0.00 -0.13 0.00 0.00 59.36 58.56 2bm9 h GLU 79 Cb 0.19 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2bm9 h GLU 79 CO -0.02 1.17 -2.04 -0.11 -0.73 0.00 0.00 179.01 177.28 2bm9 n LEU 80 N -4.08 2.64 -3.28 1.64 0.00 -0.39 -5.02 117.00 108.50 2bm9 n LEU 80 Ca -0.09 0.17 -0.12 0.00 0.00 0.00 0.00 56.01 55.97 2bm9 n LEU 80 Cb 0.72 -1.08 0.03 0.00 0.00 0.00 0.00 43.42 43.09 2bm9 n LEU 80 CO 0.50 0.83 0.13 0.54 0.00 0.00 0.00 177.39 179.40 2bm9 n ARG 81 N -3.51 -1.58 -2.29 1.96 1.74 0.12 -4.82 116.66 108.27 2bm9 n ARG 81 Ca -0.35 1.09 -0.41 0.00 -0.77 0.00 0.00 57.85 57.41 2bm9 n ARG 81 Cb 1.02 -5.17 -0.03 0.00 -1.02 0.00 0.00 32.46 27.25 2bm9 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bm9 s PRO 82 N -4.04 4.45 0.00 5.56 0.04 -1.26 -4.49 135.00 135.26 2bm9 s PRO 82 Ca 0.20 1.97 0.27 0.00 0.04 0.00 0.00 61.00 63.49 2bm9 s PRO 82 Cb -0.04 -3.20 0.95 0.00 0.04 0.00 0.00 34.50 32.25 2bm9 s PRO 82 CO 0.78 -0.14 1.68 0.54 0.04 0.00 0.00 177.00 179.90 2bm9 n ARG 83 N 2.30 1.39 -3.70 4.56 5.12 0.14 -4.12 116.66 122.35 2bm9 n ARG 83 Ca 0.04 -0.81 -0.11 0.00 -1.93 0.00 0.00 57.85 55.04 2bm9 n ARG 83 Cb 0.44 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 2bm9 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2bm9 s THR 84 N -2.17 -0.02 0.07 0.55 2.01 -1.04 -2.22 115.64 112.82 2bm9 s THR 84 Ca 0.33 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.46 2bm9 s THR 84 Cb 0.20 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2bm9 s THR 84 CO 0.40 0.02 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.53 2bm9 s ILE 85 N 1.04 1.52 0.01 1.82 1.01 -0.65 -1.27 121.20 124.69 2bm9 s ILE 85 Ca -0.07 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.29 2bm9 s ILE 85 Cb -0.06 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2bm9 s ILE 85 CO -0.09 0.01 -0.08 -0.69 0.00 0.00 0.00 174.94 174.09 2bm9 s VAL 86 N -1.01 0.64 -0.49 2.92 1.01 -0.32 -1.14 120.40 122.00 2bm9 s VAL 86 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2bm9 s VAL 86 Cb -0.09 -0.59 0.15 0.00 0.00 0.00 0.00 36.38 35.85 2bm9 s VAL 86 CO 0.03 0.01 0.31 -1.61 0.00 0.00 0.00 175.10 173.83 2bm9 s GLU 87 N -0.65 1.49 -0.02 2.72 0.41 0.25 -1.79 118.70 121.11 2bm9 s GLU 87 Ca -0.00 -2.32 -0.35 0.00 -0.41 0.00 0.00 54.97 51.89 2bm9 s GLU 87 Cb -0.05 -2.45 -0.13 0.00 -1.78 0.00 0.00 34.13 29.72 2bm9 s GLU 87 CO 0.00 -1.22 1.75 -0.11 -0.49 0.00 0.00 175.26 175.19 2bm9 n LEU 88 N 3.10 3.15 0.00 1.80 0.00 -0.75 -1.69 117.00 122.62 2bm9 n LEU 88 Ca 0.14 1.02 0.00 0.00 0.00 0.00 0.00 56.01 57.17 2bm9 n LEU 88 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.43 2bm9 n LEU 88 CO 0.23 -0.21 0.00 0.61 0.00 0.00 0.00 177.39 178.01 2bm9 n GLY 89 N 3.98 -2.14 1.58 -3.96 0.00 0.09 -1.86 105.19 102.88 2bm9 n GLY 89 Ca 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2bm9 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bm9 n VAL 90 N 0.17 0.27 0.00 1.61 0.31 -1.26 -4.75 118.33 114.67 2bm9 n VAL 90 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2bm9 n VAL 90 Cb 0.00 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2bm9 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bm9 n TYR 91 N -3.11 0.00 1.10 3.52 9.36 -1.26 -2.32 117.16 124.45 2bm9 n TYR 91 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2bm9 n TYR 91 Cb 0.11 0.00 0.44 0.00 -0.63 0.00 0.00 39.34 39.25 2bm9 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2bm9 n ASN 92 N 10.84 0.40 -0.53 2.98 6.94 -1.26 -1.42 115.26 133.20 2bm9 n ASN 92 Ca 0.00 -0.17 -0.07 0.00 -0.02 0.00 0.00 54.58 54.32 2bm9 n ASN 92 Cb 0.00 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 2bm9 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bm9 n GLY 93 N 1.44 0.89 0.24 4.83 0.00 -0.98 -0.13 105.19 111.48 2bm9 n GLY 93 Ca 0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2bm9 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bm9 h GLY 94 N 0.00 0.75 2.00 -0.02 0.00 -1.82 -2.93 103.07 101.05 2bm9 h GLY 94 Ca -0.14 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 2bm9 h GLY 94 CO 0.21 0.72 -0.01 1.48 0.00 0.00 0.00 176.54 178.94 2bm9 h SER 95 N 0.56 0.00 -0.11 0.19 4.64 -1.90 -2.62 113.55 114.31 2bm9 h SER 95 Ca 0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2bm9 h SER 95 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2bm9 h SER 95 CO 0.09 0.01 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.84 2bm9 h LEU 96 N 0.00 0.32 -1.15 5.97 4.07 -1.90 -2.02 115.31 120.61 2bm9 h LEU 96 Ca -0.00 -0.52 0.06 0.00 0.08 0.00 0.00 57.88 57.50 2bm9 h LEU 96 Cb 0.76 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.35 2bm9 h LEU 96 CO 0.00 0.78 0.59 0.00 -1.08 0.00 0.00 178.44 178.73 2bm9 h ALA 97 N 0.56 1.51 0.43 1.53 0.00 -1.36 -1.15 119.26 120.76 2bm9 h ALA 97 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2bm9 h ALA 97 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bm9 h ALA 97 CO 0.04 0.37 -0.21 2.35 0.00 0.00 0.00 179.25 181.80 2bm9 h TRP 98 N 1.04 -0.53 -0.80 0.00 7.01 -1.44 -0.57 115.95 120.64 2bm9 h TRP 98 Ca 0.38 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.45 2bm9 h TRP 98 Cb 0.18 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 2bm9 h TRP 98 CO -0.00 -0.23 0.52 0.74 -2.79 0.00 0.00 178.44 176.68 2bm9 h PHE 99 N -0.78 0.84 -0.24 2.65 0.05 -1.02 -1.16 116.94 117.27 2bm9 h PHE 99 Ca -0.06 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.67 2bm9 h PHE 99 Cb 0.54 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 2bm9 h PHE 99 CO -0.00 0.41 -0.16 -0.09 -0.18 0.00 0.00 178.31 178.29 2bm9 h ARG 100 N 0.80 0.53 -0.18 1.51 1.12 -1.02 -2.88 114.38 114.26 2bm9 h ARG 100 Ca 0.36 -0.25 -0.10 0.00 -1.11 0.00 0.00 59.98 58.87 2bm9 h ARG 100 Cb 0.35 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2bm9 h ARG 100 CO -0.13 0.82 -0.34 -0.44 -3.11 0.00 0.00 179.97 176.76 2bm9 h ASP 101 N 0.24 0.39 0.04 -3.80 5.19 -0.09 -2.40 116.42 115.99 2bm9 h ASP 101 Ca 0.05 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2bm9 h ASP 101 Cb 0.68 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2bm9 h ASP 101 CO 0.04 0.71 -0.02 0.25 -3.12 0.00 0.00 179.24 177.10 2bm9 h LEU 102 N 0.32 -0.05 -1.23 1.55 5.85 -1.29 -2.26 115.31 118.20 2bm9 h LEU 102 Ca 0.04 -0.60 0.16 0.00 0.84 0.00 0.00 57.88 58.31 2bm9 h LEU 102 Cb 0.76 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 2bm9 h LEU 102 CO 0.06 0.62 0.59 0.71 -0.34 0.00 0.00 178.44 180.08 2bm9 h THR 103 N -0.75 0.81 0.08 1.05 1.35 -1.55 0.41 112.91 114.30 2bm9 h THR 103 Ca -0.01 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2bm9 h THR 103 Cb 0.65 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2bm9 h THR 103 CO 0.01 0.13 -0.04 0.50 -0.25 0.00 0.00 175.52 175.87 2bm9 h LYS 104 N 0.71 -0.11 -0.29 4.72 3.64 -1.36 0.26 116.57 124.14 2bm9 h LYS 104 Ca 0.48 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 2bm9 h LYS 104 Cb 0.78 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2bm9 h LYS 104 CO -0.24 0.11 0.12 0.82 -2.27 0.00 0.00 179.45 177.99 2bm9 h ILE 105 N -0.31 1.11 -0.00 2.00 1.08 -0.89 -1.76 117.51 118.74 2bm9 h ILE 105 Ca -0.01 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2bm9 h ILE 105 Cb 0.26 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2bm9 h ILE 105 CO 0.02 0.13 -0.06 0.23 -0.69 0.00 0.00 178.15 177.78 2bm9 n MET 106 N -4.43 0.92 -0.85 2.37 2.81 0.09 -4.89 117.12 113.13 2bm9 n MET 106 Ca 0.01 -0.29 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 2bm9 n MET 106 Cb 0.12 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2bm9 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bm9 n GLY 107 N 1.20 1.02 3.75 3.03 0.00 -0.66 -5.01 105.19 108.51 2bm9 n GLY 107 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2bm9 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bm9 s ILE 108 N -3.74 3.68 -1.11 -0.61 1.01 0.85 -4.95 121.20 116.34 2bm9 s ILE 108 Ca 0.00 1.58 -0.04 0.00 0.00 0.00 0.00 60.65 62.19 2bm9 s ILE 108 Cb 0.00 -4.00 0.28 0.00 0.01 0.00 0.00 42.46 38.75 2bm9 s ILE 108 CO 0.00 0.33 1.72 -0.67 0.00 0.00 0.00 174.94 176.32 2bm9 n ASP 109 N 1.75 6.73 -4.92 3.58 -0.08 -1.26 -4.10 116.55 118.25 2bm9 n ASP 109 Ca 0.01 -3.45 -0.27 0.00 -1.51 0.00 0.00 54.79 49.57 2bm9 n ASP 109 Cb 0.45 -1.27 -0.02 0.00 2.34 0.00 0.00 41.12 42.63 2bm9 n ASP 109 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bm9 s GLN 111 N -4.05 2.68 -0.14 0.00 -1.52 -0.94 -4.93 119.66 110.76 2bm9 s GLN 111 Ca 0.43 -0.74 -0.15 0.00 -1.95 0.00 0.00 55.36 52.96 2bm9 s GLN 111 Cb -0.10 -2.14 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 2bm9 s GLN 111 CO 0.35 0.04 0.34 0.08 -0.25 0.00 0.00 175.29 175.85 2bm9 s VAL 112 N 0.68 5.27 0.12 1.09 1.01 -0.97 -1.63 120.40 125.97 2bm9 s VAL 112 Ca -0.12 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.59 2bm9 s VAL 112 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2bm9 s VAL 112 CO 0.02 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 174.73 2bm9 s ILE 113 N 0.39 2.97 -0.24 2.22 1.01 -0.29 -2.35 121.20 124.91 2bm9 s ILE 113 Ca 0.19 -1.49 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 2bm9 s ILE 113 Cb -0.14 -2.38 0.08 0.00 0.01 0.00 0.00 42.46 40.03 2bm9 s ILE 113 CO 0.06 0.07 0.10 -0.83 0.00 0.00 0.00 174.94 174.34 2bm9 s GLY 114 N -2.24 0.51 -0.41 6.18 0.00 -0.44 -0.58 107.32 110.33 2bm9 s GLY 114 Ca 0.19 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 2bm9 s GLY 114 CO 0.11 1.85 0.25 -0.42 0.00 0.00 0.00 173.10 174.89 2bm9 s ILE 115 N 2.05 4.39 0.48 0.90 1.01 -0.68 -2.05 121.20 127.30 2bm9 s ILE 115 Ca 0.06 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.51 2bm9 s ILE 115 Cb -0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2bm9 s ILE 115 CO -0.23 -0.43 0.03 -0.62 0.00 0.00 0.00 174.94 173.69 2bm9 s ASP 116 N 1.98 3.81 -0.26 3.58 -1.08 -1.02 -0.73 116.67 122.96 2bm9 s ASP 116 Ca 0.03 -1.62 -0.02 0.00 -0.52 0.00 0.00 52.55 50.42 2bm9 s ASP 116 Cb -0.22 0.40 -0.17 0.00 -1.46 0.00 0.00 42.92 41.47 2bm9 s ASP 116 CO 0.04 -0.81 -0.22 -2.11 0.52 0.00 0.00 175.17 172.58 2bm9 n ARG 117 N -1.15 0.64 -3.59 4.34 1.85 -1.17 -0.86 116.66 116.72 2bm9 n ARG 117 Ca -0.15 0.18 -0.40 0.00 -1.00 0.00 0.00 57.85 56.49 2bm9 n ARG 117 Cb 0.67 -1.53 -0.08 0.00 -1.05 0.00 0.00 32.46 30.47 2bm9 n ARG 117 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2bm9 s ASP 118 N -6.73 5.70 0.00 2.89 2.15 -1.26 -4.62 116.67 114.80 2bm9 s ASP 118 Ca -0.35 -2.64 0.29 0.00 0.43 0.00 0.00 52.55 50.28 2bm9 s ASP 118 Cb 0.10 -1.97 1.36 0.00 -0.30 0.00 0.00 42.92 42.11 2bm9 s ASP 118 CO 0.59 -0.48 1.92 0.18 -0.17 0.00 0.00 175.17 177.21 2bm9 n LEU 119 N 3.87 0.86 0.27 -1.34 4.77 -1.26 -4.20 117.00 119.97 2bm9 n LEU 119 Ca 0.07 -0.27 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2bm9 n LEU 119 Cb 0.41 -0.02 0.78 0.00 -2.33 0.00 0.00 43.42 42.25 2bm9 n LEU 119 CO 0.35 0.14 1.05 0.77 -1.33 0.00 0.00 177.39 178.37 2bm9 h SER 120 N 1.32 0.00 0.54 -1.43 4.64 -1.90 -1.60 113.55 115.12 2bm9 h SER 120 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2bm9 h SER 120 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2bm9 h SER 120 CO 0.00 0.06 -0.66 0.03 -0.87 0.00 0.00 176.83 175.39 2bm9 h ARG 121 N 0.00 0.10 -6.13 4.77 -0.00 -1.77 -3.47 114.38 107.89 2bm9 h ARG 121 Ca -0.00 -0.08 -0.65 0.00 -0.50 0.00 0.00 59.98 58.75 2bm9 h ARG 121 Cb 0.14 0.01 0.11 0.00 0.00 0.00 0.00 29.97 30.24 2bm9 h ARG 121 CO 0.01 0.72 -0.39 0.00 0.00 0.00 0.00 179.97 180.31 2bm9 n GLN 123 N 0.93 6.73 -1.86 0.00 1.13 0.82 -4.95 117.38 120.18 2bm9 n GLN 123 Ca 0.15 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 2bm9 n GLN 123 Cb 0.28 -0.52 -0.03 0.00 0.11 0.00 0.00 30.24 30.08 2bm9 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bm9 s ILE 124 N -1.04 2.35 0.26 5.09 1.01 -1.25 -4.95 121.20 122.67 2bm9 s ILE 124 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 2bm9 s ILE 124 Cb 0.00 -3.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.17 2bm9 s ILE 124 CO 0.00 0.03 1.37 -2.65 0.00 0.00 0.00 174.94 173.69 2bm9 n PRO 125 N 3.34 2.02 -0.14 2.79 -0.02 -1.26 -4.89 135.00 136.84 2bm9 n PRO 125 Ca 0.12 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 62.28 2bm9 n PRO 125 Cb 0.38 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2bm9 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bm9 h ALA 126 N 3.79 0.45 0.00 3.55 0.00 -2.02 -1.55 119.26 123.49 2bm9 h ALA 126 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2bm9 h ALA 126 Cb 1.28 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2bm9 h ALA 126 CO 0.72 -0.35 0.24 0.66 0.00 0.00 0.00 179.25 180.52 2bm9 h SER 127 N 0.17 0.00 -2.27 0.00 4.64 -2.03 -2.66 113.55 111.40 2bm9 h SER 127 Ca 0.22 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.94 2bm9 h SER 127 Cb 0.30 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.98 2bm9 h SER 127 CO -0.32 0.00 -0.58 0.47 -0.87 0.00 0.00 176.83 175.52 2bm9 n ASP 128 N -2.22 4.60 -0.42 4.97 10.43 -0.58 -4.82 116.55 128.51 2bm9 n ASP 128 Ca -0.01 -3.69 0.05 0.00 2.57 0.00 0.00 54.79 53.71 2bm9 n ASP 128 Cb 0.27 -0.58 0.08 0.00 1.84 0.00 0.00 41.12 42.73 2bm9 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 2bm9 n MET 129 N -0.25 0.68 -1.67 -1.24 2.81 -1.00 -4.77 117.12 111.68 2bm9 n MET 129 Ca 0.32 -1.96 -0.47 0.00 -1.81 0.00 0.00 57.70 53.78 2bm9 n MET 129 Cb 0.39 -0.97 -0.04 0.00 -0.71 0.00 0.00 33.22 31.88 2bm9 n MET 129 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bm9 n GLU 130 N -0.66 2.09 -3.49 0.03 1.02 -1.26 -2.22 120.64 116.15 2bm9 n GLU 130 Ca 0.09 0.75 -0.21 0.00 -0.02 0.00 0.00 57.16 57.77 2bm9 n GLU 130 Cb 0.72 -2.52 0.07 0.00 -0.02 0.00 0.00 31.44 29.69 2bm9 n GLU 130 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bm9 n ASN 131 N 3.76 -5.70 -3.92 1.62 5.03 -1.26 -5.00 115.26 109.78 2bm9 n ASN 131 Ca 0.18 -0.50 -0.17 0.00 0.87 0.00 0.00 54.58 54.96 2bm9 n ASN 131 Cb 0.28 -4.66 -0.15 0.00 -1.02 0.00 0.00 39.78 34.23 2bm9 n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2bm9 s ILE 132 N -3.30 0.39 -0.03 2.41 1.01 -0.94 -2.30 121.20 118.44 2bm9 s ILE 132 Ca 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 2bm9 s ILE 132 Cb -0.22 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 41.91 2bm9 s ILE 132 CO 0.67 0.14 0.01 -0.89 0.00 0.00 0.00 174.94 174.87 2bm9 s THR 133 N 0.25 0.10 -0.21 2.92 2.01 -0.99 -5.03 115.64 114.70 2bm9 s THR 133 Ca -0.03 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 2bm9 s THR 133 Cb -0.06 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 2bm9 s THR 133 CO -0.00 0.15 0.14 -0.76 -0.69 0.00 0.00 174.62 173.45 2bm9 s LEU 134 N 1.26 4.18 0.01 4.42 2.01 -1.26 -1.33 118.68 127.96 2bm9 s LEU 134 Ca -0.06 0.19 0.04 0.00 0.01 0.00 0.00 54.13 54.31 2bm9 s LEU 134 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 46.19 43.95 2bm9 s LEU 134 CO -0.02 0.15 -0.11 -1.00 1.01 0.00 0.00 176.35 176.37 2bm9 s HIS 135 N 0.55 2.77 0.27 0.29 3.76 -0.87 -4.98 115.29 117.07 2bm9 s HIS 135 Ca 0.08 -0.12 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 2bm9 s HIS 135 Cb -0.12 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2bm9 s HIS 135 CO -0.00 0.31 0.24 -1.14 -0.85 0.00 0.00 174.74 173.30 2bm9 s GLN 136 N -1.34 2.96 0.00 1.40 0.74 -1.26 -2.43 119.66 119.73 2bm9 s GLN 136 Ca 0.16 -1.06 0.00 0.00 0.05 0.00 0.00 55.36 54.51 2bm9 s GLN 136 Cb -0.11 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.40 2bm9 s GLN 136 CO 0.06 0.34 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 2bm9 n GLY 137 N -1.25 2.53 3.98 2.59 0.00 -0.03 -4.91 105.19 108.10 2bm9 n GLY 137 Ca -0.07 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 2bm9 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bm9 s ASP 138 N 0.00 6.01 0.00 1.61 3.68 -1.26 -3.06 116.67 123.65 2bm9 s ASP 138 Ca 0.00 -0.09 0.25 0.00 2.13 0.00 0.00 52.55 54.84 2bm9 s ASP 138 Cb 0.00 -1.36 0.45 0.00 -1.45 0.00 0.00 42.92 40.56 2bm9 s ASP 138 CO 0.00 -0.42 1.37 0.00 0.13 0.00 0.00 175.17 176.26 2bm9 n SER 140 N -1.19 0.00 -4.81 0.00 2.88 -1.26 -4.58 113.62 104.66 2bm9 n SER 140 Ca 0.07 0.73 -0.37 0.00 -1.33 0.00 0.00 58.87 57.97 2bm9 n SER 140 Cb 0.35 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 2bm9 n SER 140 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2bm9 s ASP 141 N -2.04 7.13 -0.08 -3.46 3.84 -1.26 -4.98 116.67 115.82 2bm9 s ASP 141 Ca 0.00 1.43 0.14 0.00 -0.00 0.00 0.00 52.55 54.12 2bm9 s ASP 141 Cb 0.00 -2.42 0.53 0.00 -1.38 0.00 0.00 42.92 39.65 2bm9 s ASP 141 CO 0.00 0.12 1.40 0.18 -0.00 0.00 0.00 175.17 176.87 2bm9 n LEU 142 N 1.10 3.60 0.13 2.11 4.77 -1.26 -3.69 117.00 123.76 2bm9 n LEU 142 Ca -0.05 -1.82 -0.00 0.00 -0.03 0.00 0.00 56.01 54.11 2bm9 n LEU 142 Cb 0.50 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 2bm9 n LEU 142 CO 0.43 0.63 0.45 0.74 -1.33 0.00 0.00 177.39 178.32 2bm9 h THR 143 N 3.05 1.29 -1.20 -5.08 2.02 -1.93 -2.62 112.91 108.44 2bm9 h THR 143 Ca 0.00 -2.31 0.34 0.00 0.77 0.00 0.00 66.41 65.21 2bm9 h THR 143 Cb 1.11 2.31 -0.07 0.00 -1.74 0.00 0.00 68.15 69.76 2bm9 h THR 143 CO 0.16 0.62 0.83 0.74 0.37 0.00 0.00 175.52 178.24 2bm9 h THR 144 N 0.00 0.39 0.00 3.16 2.02 -1.84 -1.56 112.91 115.08 2bm9 h THR 144 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2bm9 h THR 144 Cb 1.26 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2bm9 h THR 144 CO 0.08 0.02 -1.79 0.49 0.37 0.00 0.00 175.52 174.70 2bm9 n PHE 145 N -4.36 0.00 0.30 3.16 3.01 -1.10 -4.47 117.46 114.00 2bm9 n PHE 145 Ca 0.28 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.92 2bm9 n PHE 145 Cb 1.19 -0.40 0.89 0.00 -0.01 0.00 0.00 39.48 41.16 2bm9 n PHE 145 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2bm9 h GLU 146 N 0.00 0.00 0.00 -1.08 5.08 -0.91 -2.05 114.58 115.62 2bm9 h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bm9 h GLU 146 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2bm9 h GLU 146 CO 0.00 0.00 -1.25 0.72 -1.00 0.00 0.00 179.01 177.48 2bm9 n HIS 147 N -2.86 0.28 -1.54 4.33 8.25 -1.24 -4.81 115.22 117.64 2bm9 n HIS 147 Ca -0.01 0.08 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 2bm9 n HIS 147 Cb 0.15 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 2bm9 n HIS 147 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bm9 n LEU 148 N -2.09 1.69 -4.41 2.41 4.77 -0.77 -4.90 117.00 113.70 2bm9 n LEU 148 Ca 0.00 -0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.33 2bm9 n LEU 148 Cb 0.47 -1.39 0.23 0.00 -2.33 0.00 0.00 43.42 40.40 2bm9 n LEU 148 CO 0.42 -1.38 0.16 -1.14 -1.33 0.00 0.00 177.39 174.12 2bm9 n ARG 149 N 8.82 -2.17 -1.79 3.23 0.63 -1.26 -4.75 116.66 119.37 2bm9 n ARG 149 Ca 0.46 -0.61 -0.20 0.00 -0.92 0.00 0.00 57.85 56.58 2bm9 n ARG 149 Cb 0.40 -2.02 -0.07 0.00 0.45 0.00 0.00 32.46 31.22 2bm9 n ARG 149 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2bm9 s GLU 150 N -4.08 1.94 1.10 -0.14 0.41 -1.26 -4.93 118.70 111.74 2bm9 s GLU 150 Ca 0.64 -0.14 -0.18 0.00 -0.41 0.00 0.00 54.97 54.89 2bm9 s GLU 150 Cb -0.21 -4.97 0.25 0.00 -1.78 0.00 0.00 34.13 27.42 2bm9 s GLU 150 CO 0.66 -4.24 1.18 -1.64 -0.49 0.00 0.00 175.26 170.72 2bm9 s MET 151 N 7.90 -0.42 0.63 1.61 -1.94 -1.26 -4.99 119.30 120.82 2bm9 s MET 151 Ca 0.80 -0.14 -0.16 0.00 -1.71 0.00 0.00 55.69 54.49 2bm9 s MET 151 Cb -0.08 -1.70 -0.02 0.00 2.01 0.00 0.00 34.83 35.05 2bm9 s MET 151 CO 0.08 -3.17 1.09 0.00 -0.01 0.00 0.00 175.02 173.01 2bm9 s ALA 152 N -3.31 2.58 0.26 3.03 0.00 -1.26 -5.03 121.76 118.03 2bm9 s ALA 152 Ca 0.71 0.51 0.11 0.00 0.00 0.00 0.00 51.96 53.29 2bm9 s ALA 152 Cb -0.08 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2bm9 s ALA 152 CO 0.55 -1.07 -0.11 -1.01 0.00 0.00 0.00 175.76 174.12 2bm9 s HIS 153 N -2.34 2.49 0.90 0.00 3.76 -1.26 -3.88 115.29 114.96 2bm9 s HIS 153 Ca 0.66 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 2bm9 s HIS 153 Cb -0.19 -1.11 0.13 0.00 1.11 0.00 0.00 32.58 32.52 2bm9 s HIS 153 CO 0.39 0.64 1.09 -2.14 -0.85 0.00 0.00 174.74 173.87 2bm9 s PRO 154 N -3.45 1.21 -0.07 8.40 0.02 -1.26 -4.46 135.00 135.39 2bm9 s PRO 154 Ca 0.29 0.99 -0.05 0.00 0.02 0.00 0.00 61.00 62.26 2bm9 s PRO 154 Cb -0.06 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.70 2bm9 s PRO 154 CO 0.17 -2.32 0.18 -1.17 -0.33 0.00 0.00 177.00 173.53 2bm9 s LEU 155 N -6.31 0.99 -0.15 -5.54 0.20 -1.26 0.23 118.68 106.84 2bm9 s LEU 155 Ca 0.64 0.38 -0.01 0.00 0.69 0.00 0.00 54.13 55.82 2bm9 s LEU 155 Cb -0.19 0.57 -0.01 0.00 -0.43 0.00 0.00 46.19 46.13 2bm9 s LEU 155 CO 0.58 -0.10 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.79 2bm9 s ILE 156 N 0.59 3.14 -0.16 6.68 1.01 -0.40 -2.09 121.20 129.98 2bm9 s ILE 156 Ca -0.04 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 2bm9 s ILE 156 Cb -0.06 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2bm9 s ILE 156 CO -0.03 0.50 0.03 0.12 0.00 0.00 0.00 174.94 175.57 2bm9 s PHE 157 N 0.62 3.21 -0.09 3.97 5.36 -0.37 -1.18 117.98 129.50 2bm9 s PHE 157 Ca -0.06 0.04 0.02 0.00 -0.96 0.00 0.00 56.93 55.98 2bm9 s PHE 157 Cb -0.15 -1.99 0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2bm9 s PHE 157 CO 0.03 0.21 -0.16 0.42 -1.46 0.00 0.00 175.22 174.25 2bm9 s ILE 158 N 0.06 1.51 -0.01 3.12 1.01 -0.74 -0.21 121.20 125.95 2bm9 s ILE 158 Ca 0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 2bm9 s ILE 158 Cb -0.12 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 2bm9 s ILE 158 CO 0.01 0.44 0.61 -0.62 0.00 0.00 0.00 174.94 175.38 2bm9 s ASP 159 N 0.72 6.99 0.00 3.58 -1.08 -0.06 -1.81 116.67 125.02 2bm9 s ASP 159 Ca -0.12 1.18 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 2bm9 s ASP 159 Cb -0.16 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 2bm9 s ASP 159 CO 0.03 0.08 0.00 0.59 0.52 0.00 0.00 175.17 176.39 2bm9 n ASN 160 N 2.79 0.45 0.03 -0.34 3.02 -0.78 -3.30 115.26 117.13 2bm9 n ASN 160 Ca -0.06 -0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.23 2bm9 n ASN 160 Cb 0.51 0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.77 2bm9 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm9 h ALA 161 N 0.00 -0.05 -0.39 5.41 0.00 -1.91 -3.47 119.26 118.85 2bm9 h ALA 161 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 2bm9 h ALA 161 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bm9 h ALA 161 CO 0.00 0.37 -0.08 0.72 0.00 0.00 0.00 179.25 180.26 2bm9 n HIS 162 N -4.18 -0.12 -4.48 0.00 -0.00 -1.26 -5.05 115.22 100.12 2bm9 n HIS 162 Ca -0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.24 2bm9 n HIS 162 Cb 0.78 -1.36 -0.12 0.00 -0.00 0.00 0.00 29.99 29.29 2bm9 n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2bm9 s ALA 163 N -2.15 2.97 -1.70 -1.41 0.00 -1.26 -4.47 121.76 113.75 2bm9 s ALA 163 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 2bm9 s ALA 163 Cb 0.00 -1.46 0.17 0.00 0.00 0.00 0.00 23.12 21.83 2bm9 s ALA 163 CO 0.00 0.30 0.76 -1.71 0.00 0.00 0.00 175.76 175.11 2bm9 n ASN 164 N 3.23 -3.20 -0.45 0.00 5.15 -1.26 -4.73 115.26 113.99 2bm9 n ASN 164 Ca -0.18 -1.00 0.03 0.00 -0.60 0.00 0.00 54.58 52.83 2bm9 n ASN 164 Cb 0.53 -2.63 0.08 0.00 -0.53 0.00 0.00 39.78 37.23 2bm9 n ASN 164 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2bm9 n THR 165 N -4.31 0.34 -0.07 -0.44 -1.04 -1.26 -2.40 114.28 105.09 2bm9 n THR 165 Ca 0.08 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 2bm9 n THR 165 Cb 0.49 -0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 68.91 2bm9 n THR 165 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2bm9 n PHE 166 N 0.06 0.00 0.25 -1.42 3.01 -1.26 -3.79 117.46 114.31 2bm9 n PHE 166 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.65 2bm9 n PHE 166 Cb 0.23 -0.62 0.66 0.00 -0.01 0.00 0.00 39.48 39.75 2bm9 n PHE 166 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2bm9 h ASN 167 N 0.00 0.00 0.61 4.37 2.35 -1.90 0.20 115.58 121.21 2bm9 h ASN 167 Ca -0.35 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.12 2bm9 h ASN 167 Cb 1.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 2bm9 h ASN 167 CO -0.03 0.14 -1.33 0.40 -1.65 0.00 0.00 177.43 174.96 2bm9 h ILE 168 N 0.00 1.38 -0.48 2.81 2.04 -1.69 -2.34 117.51 119.23 2bm9 h ILE 168 Ca -0.00 -3.00 -0.00 0.00 1.00 0.00 0.00 64.86 62.85 2bm9 h ILE 168 Cb 0.45 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2bm9 h ILE 168 CO 0.02 0.86 0.28 -0.03 0.00 0.00 0.00 178.15 179.28 2bm9 h MET 169 N 0.06 0.65 -0.58 2.37 4.05 -1.58 -1.61 114.93 118.29 2bm9 h MET 169 Ca -0.16 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 2bm9 h MET 169 Cb 1.96 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 32.60 2bm9 h MET 169 CO 0.17 0.48 0.18 -0.22 0.23 0.00 0.00 176.91 177.75 2bm9 h LYS 170 N 0.63 0.87 -0.18 0.39 3.64 -0.63 -1.93 116.57 119.36 2bm9 h LYS 170 Ca 0.17 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 2bm9 h LYS 170 Cb 0.00 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2bm9 h LYS 170 CO -0.03 0.76 -0.72 2.35 -2.27 0.00 0.00 179.45 179.54 2bm9 h TRP 171 N 0.85 1.04 -0.40 1.91 7.01 -1.34 -3.08 115.95 121.94 2bm9 h TRP 171 Ca 0.19 -0.44 -0.05 0.00 2.11 0.00 0.00 58.89 60.70 2bm9 h TRP 171 Cb 0.25 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2bm9 h TRP 171 CO 0.02 1.26 0.05 0.00 -2.79 0.00 0.00 178.44 176.97 2bm9 h ALA 172 N 0.62 0.54 -0.17 2.65 0.00 -1.00 -1.30 119.26 120.61 2bm9 h ALA 172 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2bm9 h ALA 172 Cb 1.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2bm9 h ALA 172 CO 0.15 0.27 0.05 0.28 0.00 0.00 0.00 179.25 180.00 2bm9 h VAL 173 N 0.52 1.18 0.00 0.00 2.07 -1.43 -0.28 116.25 118.31 2bm9 h VAL 173 Ca 0.12 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2bm9 h VAL 173 Cb 0.40 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2bm9 h VAL 173 CO 0.01 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.21 2bm9 h ASP 174 N 0.09 0.00 0.00 0.57 3.32 -1.50 -3.38 116.42 115.52 2bm9 h ASP 174 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2bm9 h ASP 174 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2bm9 h ASP 174 CO -0.00 0.00 -1.03 1.41 -1.72 0.00 0.00 179.24 177.89 2bm9 n HIS 175 N -2.73 0.00 0.07 4.55 8.25 -0.50 -5.01 115.22 119.87 2bm9 n HIS 175 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2bm9 n HIS 175 Cb 0.46 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2bm9 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2bm9 n LEU 176 N -1.61 0.18 -4.70 2.41 7.94 -0.25 -5.05 117.00 115.92 2bm9 n LEU 176 Ca -0.00 0.24 -0.42 0.00 -1.11 0.00 0.00 56.01 54.72 2bm9 n LEU 176 Cb 0.10 0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 2bm9 n LEU 176 CO 0.01 -0.68 1.32 -0.76 -1.11 0.00 0.00 177.39 176.17 2bm9 s LEU 177 N -6.29 4.37 0.49 -1.96 1.43 -0.40 -5.02 118.68 111.30 2bm9 s LEU 177 Ca 0.00 2.58 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 2bm9 s LEU 177 Cb 0.00 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2bm9 s LEU 177 CO 0.00 -0.89 0.45 -1.61 0.23 0.00 0.00 176.35 174.53 2bm9 s GLU 178 N 2.18 2.38 0.29 1.70 2.02 -1.26 -4.90 118.70 121.09 2bm9 s GLU 178 Ca 0.74 -1.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 2bm9 s GLU 178 Cb -0.42 -2.29 -0.14 0.00 0.10 0.00 0.00 34.13 31.38 2bm9 s GLU 178 CO 0.33 -0.47 1.12 0.39 0.02 0.00 0.00 175.26 176.64 2bm9 n GLU 179 N -1.73 1.56 0.00 1.61 1.02 -1.26 -2.03 120.64 119.80 2bm9 n GLU 179 Ca 0.03 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2bm9 n GLU 179 Cb 0.63 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2bm9 n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bm9 n GLY 180 N 1.28 2.91 3.77 0.62 0.00 -1.10 -4.96 105.19 107.71 2bm9 n GLY 180 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2bm9 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bm9 s ASP 181 N -1.58 6.54 0.24 1.61 1.11 -0.86 -4.81 116.67 118.93 2bm9 s ASP 181 Ca 0.00 2.57 0.06 0.00 0.18 0.00 0.00 52.55 55.36 2bm9 s ASP 181 Cb 0.00 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 2bm9 s ASP 181 CO 0.00 -0.68 0.31 -0.31 1.18 0.00 0.00 175.17 175.67 2bm9 s TYR 182 N -1.26 3.35 -0.24 4.23 1.51 -0.89 -2.47 117.35 121.59 2bm9 s TYR 182 Ca 0.54 -0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 2bm9 s TYR 182 Cb -0.36 -1.52 0.13 0.00 -0.11 0.00 0.00 41.96 40.09 2bm9 s TYR 182 CO 0.47 0.46 0.41 0.12 -1.11 0.00 0.00 175.55 175.91 2bm9 s PHE 183 N -2.02 -0.88 -0.18 2.71 5.36 0.11 -1.24 117.98 121.83 2bm9 s PHE 183 Ca 0.34 1.11 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2bm9 s PHE 183 Cb -0.09 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.78 2bm9 s PHE 183 CO 0.28 -0.66 -0.10 0.42 -1.46 0.00 0.00 175.22 173.69 2bm9 s ILE 184 N 2.59 1.55 -0.50 3.12 1.01 0.71 -1.74 121.20 127.94 2bm9 s ILE 184 Ca 0.09 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 2bm9 s ILE 184 Cb -0.14 -1.59 0.06 0.00 0.01 0.00 0.00 42.46 40.80 2bm9 s ILE 184 CO -0.15 0.24 0.54 -0.63 0.00 0.00 0.00 174.94 174.93 2bm9 s ILE 185 N 1.45 5.01 0.70 2.92 1.01 -0.02 -0.88 121.20 131.39 2bm9 s ILE 185 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2bm9 s ILE 185 Cb -0.15 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.09 2bm9 s ILE 185 CO -0.09 -0.73 1.06 -1.61 0.00 0.00 0.00 174.94 173.58 2bm9 s GLU 186 N 2.26 2.94 0.00 2.79 2.02 -1.21 -4.40 118.70 123.10 2bm9 s GLU 186 Ca 0.11 0.78 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2bm9 s GLU 186 Cb -0.21 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.01 2bm9 s GLU 186 CO 0.10 -1.05 0.00 -0.25 0.02 0.00 0.00 175.26 174.08 2bm9 n ASP 187 N -3.07 0.00 -0.02 -0.19 8.00 -0.21 -4.42 116.55 116.63 2bm9 n ASP 187 Ca 0.07 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.64 2bm9 n ASP 187 Cb 0.55 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 2bm9 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2bm9 n MET 188 N 0.00 0.66 -0.15 -1.24 1.56 -1.26 -4.32 117.12 112.36 2bm9 n MET 188 Ca 0.00 -0.13 0.02 0.00 -0.27 0.00 0.00 57.70 57.32 2bm9 n MET 188 Cb 0.00 -1.55 0.31 0.00 2.15 0.00 0.00 33.22 34.13 2bm9 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2bm9 h ILE 189 N 0.00 1.14 0.00 1.12 2.04 -1.81 -2.12 117.51 117.89 2bm9 h ILE 189 Ca -0.11 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 2bm9 h ILE 189 Cb 1.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2bm9 h ILE 189 CO 0.01 0.16 -0.43 -0.65 0.00 0.00 0.00 178.15 177.23 2bm9 h PRO 190 N 0.86 0.00 0.13 2.37 0.11 -1.83 -2.59 132.00 131.05 2bm9 h PRO 190 Ca 0.25 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.13 2bm9 h PRO 190 Cb -0.04 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.09 2bm9 h PRO 190 CO -0.06 0.43 -0.99 1.88 -0.21 0.00 0.00 178.00 179.05 2bm9 h TYR 191 N 0.00 0.74 -0.32 0.65 0.99 -1.70 -2.95 116.97 114.38 2bm9 h TYR 191 Ca -0.00 -0.50 0.09 0.00 2.00 0.00 0.00 58.73 60.32 2bm9 h TYR 191 Cb 0.82 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 38.49 2bm9 h TYR 191 CO 0.00 1.37 0.23 -1.49 -0.00 0.00 0.00 178.16 178.27 2bm9 h TRP 192 N -0.09 0.02 0.02 4.88 6.55 -1.43 -2.08 115.95 123.82 2bm9 h TRP 192 Ca -0.16 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.47 2bm9 h TRP 192 Cb 1.74 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 30.01 2bm9 h TRP 192 CO 0.16 0.01 -0.99 -0.92 -1.05 0.00 0.00 178.44 175.65 2bm9 h TYR 193 N 0.02 0.08 -0.15 0.49 3.20 -1.46 -2.07 116.97 117.08 2bm9 h TYR 193 Ca 0.15 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.75 2bm9 h TYR 193 Cb 0.58 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.85 2bm9 h TYR 193 CO -0.00 1.00 -0.76 -0.09 -1.64 0.00 0.00 178.16 176.67 2bm9 h ARG 194 N 0.02 0.75 -0.00 1.82 2.43 -1.30 -2.82 114.38 115.27 2bm9 h ARG 194 Ca -0.03 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2bm9 h ARG 194 Cb 1.72 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2bm9 h ARG 194 CO 0.13 1.21 -0.38 0.66 -1.51 0.00 0.00 179.97 180.09 2bm9 n TYR 195 N -3.93 0.00 -2.74 2.20 0.53 -0.81 -4.40 117.16 108.01 2bm9 n TYR 195 Ca -0.07 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.74 2bm9 n TYR 195 Cb 0.73 -0.30 0.05 0.00 -1.03 0.00 0.00 39.34 38.80 2bm9 n TYR 195 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2bm9 n ALA 196 N -1.47 -1.66 -0.26 -0.72 0.00 -0.78 -5.03 120.51 110.59 2bm9 n ALA 196 Ca 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 53.44 52.25 2bm9 n ALA 196 Cb 0.34 -1.55 0.16 0.00 0.00 0.00 0.00 19.45 18.40 2bm9 n ALA 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bm9 h PRO 197 N 3.93 0.61 0.18 0.00 0.11 -1.70 -1.93 132.00 133.20 2bm9 h PRO 197 Ca -0.15 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 2bm9 h PRO 197 Cb 1.05 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2bm9 h PRO 197 CO 0.27 0.40 -0.09 0.37 -0.21 0.00 0.00 178.00 178.74 2bm9 h GLN 198 N 0.62 -0.24 -0.93 1.05 4.15 -1.95 -2.83 115.11 114.99 2bm9 h GLN 198 Ca 0.38 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.96 2bm9 h GLN 198 Cb 0.43 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 2bm9 h GLN 198 CO -0.29 -0.16 0.54 -0.07 -1.93 0.00 0.00 178.83 176.92 2bm9 h LEU 199 N -0.84 0.71 -0.19 -2.39 3.38 -1.97 -1.44 115.31 112.58 2bm9 h LEU 199 Ca -0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2bm9 h LEU 199 Cb 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2bm9 h LEU 199 CO 0.04 0.32 -0.27 0.15 0.09 0.00 0.00 178.44 178.77 2bm9 h PHE 200 N 0.77 0.64 -0.04 1.13 3.57 -1.50 -0.87 116.94 120.64 2bm9 h PHE 200 Ca 0.49 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.79 2bm9 h PHE 200 Cb 0.64 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2bm9 h PHE 200 CO -0.04 0.92 0.05 0.77 -2.23 0.00 0.00 178.31 177.77 2bm9 h SER 201 N 0.18 0.00 0.00 0.41 0.02 -1.08 -0.62 113.55 112.46 2bm9 h SER 201 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2bm9 h SER 201 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2bm9 h SER 201 CO 0.06 0.00 -0.18 -0.08 -1.14 0.00 0.00 176.83 175.49 2bm9 h GLU 202 N 0.00 0.00 -0.79 3.45 4.22 -1.09 -2.88 114.58 117.49 2bm9 h GLU 202 Ca 0.02 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.61 2bm9 h GLU 202 Cb 0.11 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.21 2bm9 h GLU 202 CO -0.00 0.00 -0.23 1.88 -2.18 0.00 0.00 179.01 178.48 2bm9 h TYR 203 N -0.97 -0.53 -0.44 0.92 0.99 -1.08 0.74 116.97 116.59 2bm9 h TYR 203 Ca 0.00 0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 2bm9 h TYR 203 Cb 0.18 0.36 -0.02 0.00 1.00 0.00 0.00 36.73 38.25 2bm9 h TYR 203 CO -0.08 -0.36 -0.08 1.25 -0.00 0.00 0.00 178.16 178.90 2bm9 h LEU 204 N -0.02 0.75 -0.94 3.88 6.46 -1.29 -2.96 115.31 121.20 2bm9 h LEU 204 Ca 0.37 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2bm9 h LEU 204 Cb 0.59 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2bm9 h LEU 204 CO -0.82 0.87 0.00 1.23 -0.62 0.00 0.00 178.44 179.09 2bm9 h GLY 205 N 0.97 0.00 2.00 3.75 0.00 -0.67 -3.01 103.07 106.12 2bm9 h GLY 205 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2bm9 h GLY 205 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 2bm9 n ALA 206 N -1.98 1.79 -0.60 3.60 0.00 -0.51 -1.42 120.51 121.38 2bm9 n ALA 206 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2bm9 n ALA 206 Cb 0.33 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.78 2bm9 n ALA 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2bm9 n PHE 207 N -1.63 1.85 -0.01 0.00 3.01 -1.14 -4.68 117.46 114.86 2bm9 n PHE 207 Ca 0.04 -0.76 -0.15 0.00 1.01 0.00 0.00 57.45 57.59 2bm9 n PHE 207 Cb 0.21 -0.50 -0.09 0.00 -0.01 0.00 0.00 39.48 39.09 2bm9 n PHE 207 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2bm9 h ARG 208 N 2.89 -0.55 0.00 -1.08 2.43 -1.44 0.09 114.38 116.73 2bm9 h ARG 208 Ca 0.08 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2bm9 h ARG 208 Cb 1.85 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2bm9 h ARG 208 CO 0.49 -0.36 0.00 -0.44 -1.51 0.00 0.00 179.97 178.14 2bm9 h ASP 209 N -0.57 0.00 0.00 -3.80 3.32 -1.85 -3.32 116.42 110.19 2bm9 h ASP 209 Ca 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2bm9 h ASP 209 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2bm9 h ASP 209 CO -0.44 0.00 -1.89 1.33 -1.72 0.00 0.00 179.24 176.52 2bm9 n VAL 210 N -2.58 0.22 -3.99 -1.35 0.24 -1.07 -4.64 118.33 105.16 2bm9 n VAL 210 Ca 0.04 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.76 2bm9 n VAL 210 Cb 0.41 -0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 32.62 2bm9 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2bm9 s LEU 211 N -4.45 2.19 0.00 1.34 1.43 -0.00 -3.84 118.68 115.37 2bm9 s LEU 211 Ca -0.07 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2bm9 s LEU 211 Cb 0.10 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.33 2bm9 s LEU 211 CO 0.74 -0.22 -0.10 -0.94 0.23 0.00 0.00 176.35 176.06 2bm9 s SER 212 N -1.19 1.18 0.12 2.29 1.04 -0.66 -4.55 113.70 111.92 2bm9 s SER 212 Ca -0.11 -0.25 -0.31 0.00 0.48 0.00 0.00 55.95 55.76 2bm9 s SER 212 Cb -0.08 -0.11 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 2bm9 s SER 212 CO -0.01 0.08 1.35 -0.32 0.98 0.00 0.00 173.24 175.32 2bm9 s MET 213 N -0.48 4.35 -0.84 4.02 1.75 -1.26 -1.92 119.30 124.91 2bm9 s MET 213 Ca 0.02 2.02 -0.19 0.00 -1.25 0.00 0.00 55.69 56.29 2bm9 s MET 213 Cb -0.05 -3.26 0.12 0.00 2.84 0.00 0.00 34.83 34.48 2bm9 s MET 213 CO -0.00 -0.38 1.05 0.34 -0.65 0.00 0.00 175.02 175.37 2bm9 s ASP 214 N 1.00 6.50 0.40 1.11 -1.08 -0.59 -4.90 116.67 119.11 2bm9 s ASP 214 Ca 0.63 -1.80 0.16 0.00 -0.52 0.00 0.00 52.55 51.02 2bm9 s ASP 214 Cb -0.36 -2.39 1.04 0.00 -1.46 0.00 0.00 42.92 39.76 2bm9 s ASP 214 CO 0.31 -1.13 1.83 0.24 0.52 0.00 0.00 175.17 176.94 2bm9 h MET 215 N 8.98 0.44 -0.87 4.34 2.86 -1.93 0.44 114.93 129.20 2bm9 h MET 215 Ca 0.02 -0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2bm9 h MET 215 Cb 1.04 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.49 2bm9 h MET 215 CO 1.11 0.29 0.41 1.25 1.06 0.00 0.00 176.91 181.03 2bm9 h LEU 216 N 0.45 0.43 0.00 1.22 5.85 -2.00 -2.49 115.31 118.78 2bm9 h LEU 216 Ca 0.51 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2bm9 h LEU 216 Cb 1.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2bm9 h LEU 216 CO -0.22 0.12 -1.65 -1.22 -0.34 0.00 0.00 178.44 175.13 2bm9 n TYR 217 N -4.95 0.00 0.12 1.25 4.02 -0.98 -4.79 117.16 111.83 2bm9 n TYR 217 Ca 0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.95 2bm9 n TYR 217 Cb 0.53 -0.34 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 2bm9 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bm9 h ALA 218 N 1.75 -0.58 -0.76 -0.72 0.00 -0.44 -2.82 119.26 115.70 2bm9 h ALA 218 Ca 0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 2bm9 h ALA 218 Cb 0.74 0.54 -0.22 0.00 0.00 0.00 0.00 17.79 18.85 2bm9 h ALA 218 CO 0.00 -0.88 0.67 0.09 0.00 0.00 0.00 179.25 179.13 2bm9 n ASN 219 N -5.43 7.14 0.00 0.00 3.02 -1.25 -2.40 115.26 116.34 2bm9 n ASN 219 Ca -0.07 -3.46 0.00 0.00 -0.03 0.00 0.00 54.58 51.02 2bm9 n ASN 219 Cb 0.34 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 2bm9 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm9 n ALA 220 N -0.30 2.01 -3.40 5.41 0.00 -1.07 -5.02 120.51 118.14 2bm9 n ALA 220 Ca 0.48 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 2bm9 n ALA 220 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2bm9 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bm9 s SER 221 N -0.91 -0.51 0.31 0.00 0.15 -1.26 -4.79 113.70 106.70 2bm9 s SER 221 Ca 0.00 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.16 2bm9 s SER 221 Cb 0.00 0.48 0.52 0.00 -1.71 0.00 0.00 66.02 65.31 2bm9 s SER 221 CO 0.00 -0.62 1.73 0.77 1.20 0.00 0.00 173.24 176.33 2bm9 h SER 222 N 3.09 0.19 0.45 5.45 4.64 -1.95 -1.90 113.55 123.51 2bm9 h SER 222 Ca -0.29 -0.07 -0.31 0.00 -0.47 0.00 0.00 61.79 60.65 2bm9 h SER 222 Cb 1.17 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2bm9 h SER 222 CO 0.40 0.57 -1.55 1.56 -0.87 0.00 0.00 176.83 176.94 2bm9 h GLN 223 N 0.15 0.23 -0.01 4.77 4.20 -1.96 -3.32 115.11 119.18 2bm9 h GLN 223 Ca 0.01 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2bm9 h GLN 223 Cb 0.77 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2bm9 h GLN 223 CO 0.06 1.09 -0.20 1.28 -0.67 0.00 0.00 178.83 180.39 2bm9 n LEU 224 N -3.43 0.77 -3.19 1.46 4.77 -1.22 -1.05 117.00 115.10 2bm9 n LEU 224 Ca -0.17 -0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.29 2bm9 n LEU 224 Cb 1.04 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.88 2bm9 n LEU 224 CO 0.50 0.14 1.40 -0.67 -1.33 0.00 0.00 177.39 177.44 2bm9 n ASP 225 N -0.81 0.43 -3.89 -1.43 2.03 -0.72 -0.62 116.55 111.54 2bm9 n ASP 225 Ca 0.13 0.37 -0.31 0.00 0.52 0.00 0.00 54.79 55.50 2bm9 n ASP 225 Cb 0.32 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2bm9 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bm9 n ARG 226 N 5.78 -4.23 -0.14 -0.67 1.74 -1.01 -4.65 116.66 113.48 2bm9 n ARG 226 Ca 0.43 0.50 0.06 0.00 -0.77 0.00 0.00 57.85 58.07 2bm9 n ARG 226 Cb -0.01 -5.30 0.09 0.00 -1.02 0.00 0.00 32.46 26.22 2bm9 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm9 n GLY 227 N -1.47 3.38 3.23 -0.13 0.00 0.21 -4.94 105.19 105.48 2bm9 n GLY 227 Ca 0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2bm9 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bm9 s VAL 228 N -1.91 3.29 0.21 1.61 1.01 -1.26 -0.84 120.40 122.51 2bm9 s VAL 228 Ca 0.20 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 61.16 2bm9 s VAL 228 Cb 0.17 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2bm9 s VAL 228 CO 0.02 -0.00 -0.17 -0.76 0.00 0.00 0.00 175.10 174.18 2bm9 s LEU 229 N 1.35 2.52 0.22 3.92 1.43 -0.71 -1.53 118.68 125.87 2bm9 s LEU 229 Ca -0.02 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 51.92 2bm9 s LEU 229 Cb -0.18 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2bm9 s LEU 229 CO -0.01 -0.06 0.62 0.00 0.23 0.00 0.00 176.35 177.13 2bm9 s ARG 230 N -3.30 1.53 0.16 1.70 1.70 -0.81 0.09 118.95 120.02 2bm9 s ARG 230 Ca 0.22 -0.84 -0.13 0.00 -0.47 0.00 0.00 55.73 54.52 2bm9 s ARG 230 Cb -0.04 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 2bm9 s ARG 230 CO 0.09 -0.68 0.54 0.50 -1.08 0.00 0.00 175.30 174.66 2bm9 s ARG 231 N -3.87 3.91 -0.05 3.89 3.52 -1.03 -1.66 118.95 123.67 2bm9 s ARG 231 Ca 0.09 0.41 0.14 0.00 -0.13 0.00 0.00 55.73 56.23 2bm9 s ARG 231 Cb -0.03 -2.86 0.26 0.00 -1.56 0.00 0.00 34.95 30.76 2bm9 s ARG 231 CO -0.01 0.44 1.11 0.28 -0.81 0.00 0.00 175.30 176.32 2bm9 n VAL 232 N 0.57 0.56 0.00 7.11 0.31 -1.25 -2.69 118.33 122.94 2bm9 n VAL 232 Ca -0.04 -1.13 0.00 0.00 -0.01 0.00 0.00 64.34 63.16 2bm9 n VAL 232 Cb 0.52 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 2bm9 n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51