#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1r s ARG 2 N 0.00 2.47 0.26 0.03 0.52 -1.26 -5.04 118.95 115.92 2b1r s ARG 2 Ca 0.00 -1.48 0.25 0.00 -0.52 0.00 0.00 55.73 53.97 2b1r s ARG 2 Cb 0.00 -2.26 0.51 0.00 0.52 0.00 0.00 34.95 33.73 2b1r s ARG 2 CO 0.00 0.10 1.57 -0.56 0.02 0.00 0.00 175.30 176.43 2b1r h GLN 3 N 1.46 0.00 -3.54 3.54 3.07 -1.85 -3.47 115.11 114.33 2b1r h GLN 3 Ca -0.44 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.11 2b1r h GLN 3 Cb 1.25 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 28.56 2b1r h GLN 3 CO 0.62 0.00 -0.60 -1.17 0.09 0.00 0.00 178.83 177.77 2b1r s LEU 4 N -5.02 1.67 -0.30 0.06 2.96 -1.14 -4.79 118.68 112.12 2b1r s LEU 4 Ca 0.08 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2b1r s LEU 4 Cb 0.10 0.37 0.07 0.00 0.50 0.00 0.00 46.19 47.23 2b1r s LEU 4 CO 0.66 -0.11 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.34 2b1r s LEU 5 N -0.29 4.02 -0.26 -0.68 2.96 -0.32 -0.53 118.68 123.58 2b1r s LEU 5 Ca -0.04 -1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 52.13 2b1r s LEU 5 Cb -0.03 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 2b1r s LEU 5 CO 0.00 -0.28 0.16 -0.22 -1.32 0.00 0.00 176.35 174.69 2b1r s LEU 6 N 1.07 3.90 -0.12 -0.68 2.96 -0.14 -1.19 118.68 124.48 2b1r s LEU 6 Ca -0.01 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2b1r s LEU 6 Cb -0.20 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2b1r s LEU 6 CO -0.05 -0.02 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.17 2b1r s ILE 7 N 1.59 1.57 -0.01 6.68 1.01 -0.26 -0.98 121.20 130.80 2b1r s ILE 7 Ca 0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2b1r s ILE 7 Cb -0.15 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2b1r s ILE 7 CO 0.08 0.46 0.14 -0.55 0.00 0.00 0.00 174.94 175.07 2b1r s SER 8 N 1.07 -0.02 0.84 3.58 0.15 -0.82 -0.17 113.70 118.33 2b1r s SER 8 Ca -0.04 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 2b1r s SER 8 Cb -0.15 0.24 0.09 0.00 -1.71 0.00 0.00 66.02 64.50 2b1r s SER 8 CO -0.04 -0.29 1.13 -0.62 1.20 0.00 0.00 173.24 174.63 2b1r s ASP 9 N -1.01 4.19 0.00 5.45 2.15 -0.77 -0.93 116.67 125.75 2b1r s ASP 9 Ca -0.11 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2b1r s ASP 9 Cb -0.06 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 2b1r s ASP 9 CO 0.01 -2.13 0.00 0.18 -0.17 0.00 0.00 175.17 173.07 2b1r n LEU 10 N -3.50 0.00 -4.67 -1.34 4.77 -1.26 -2.69 117.00 108.31 2b1r n LEU 10 Ca 0.07 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.58 2b1r n LEU 10 Cb 0.59 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2b1r n LEU 10 CO 0.57 -0.42 1.34 0.47 -1.33 0.00 0.00 177.39 178.03 2b1r n ASP 11 N -2.32 3.24 0.00 -1.43 8.00 -1.26 0.05 116.55 122.82 2b1r n ASP 11 Ca 0.00 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.53 2b1r n ASP 11 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 2b1r n ASP 11 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2b1r n ASN 12 N 5.11 -0.61 0.00 -2.24 4.13 0.22 -4.74 115.26 117.13 2b1r n ASN 12 Ca 0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.46 2b1r n ASN 12 Cb 0.29 -1.57 0.00 0.00 -1.54 0.00 0.00 39.78 36.96 2b1r n ASN 12 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2b1r n THR 13 N -2.05 0.00 0.04 3.41 -1.04 -0.50 -4.27 114.28 109.87 2b1r n THR 13 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2b1r n THR 13 Cb 0.04 -0.48 0.04 0.00 -1.82 0.00 0.00 70.33 68.11 2b1r n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2b1r h TRP 14 N 0.00 0.58 -2.97 -1.42 2.91 -1.07 -0.14 115.95 113.84 2b1r h TRP 14 Ca 0.00 -0.24 -0.61 0.00 1.13 0.00 0.00 58.89 59.17 2b1r h TRP 14 Cb 0.00 -0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 28.47 2b1r h TRP 14 CO 0.00 0.98 -0.60 0.08 -1.03 0.00 0.00 178.44 177.87 2b1r s VAL 15 N -3.75 4.39 0.00 2.65 1.01 0.11 -4.17 120.40 120.63 2b1r s VAL 15 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2b1r s VAL 15 Cb 0.11 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2b1r s VAL 15 CO 0.84 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.55 2b1r n GLY 16 N 0.07 3.22 2.92 4.51 0.00 -1.26 -0.61 105.19 114.05 2b1r n GLY 16 Ca -0.09 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2b1r n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b1r s ASP 17 N -0.10 4.40 0.25 1.61 -1.08 -1.26 -5.01 116.67 115.48 2b1r s ASP 17 Ca 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 52.55 49.61 2b1r s ASP 17 Cb 0.00 -1.45 0.40 0.00 -1.46 0.00 0.00 42.92 40.41 2b1r s ASP 17 CO 0.00 -0.33 1.81 -0.61 0.52 0.00 0.00 175.17 176.56 2b1r h GLN 18 N 7.26 0.76 -0.46 4.34 5.75 -1.96 0.11 115.11 130.92 2b1r h GLN 18 Ca -0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2b1r h GLN 18 Cb 0.97 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 2b1r h GLN 18 CO 0.56 0.51 0.24 0.37 -2.65 0.00 0.00 178.83 177.86 2b1r h GLN 19 N 0.79 0.64 -0.53 1.69 4.15 -1.99 -0.20 115.11 119.65 2b1r h GLN 19 Ca 0.40 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 2b1r h GLN 19 Cb 0.37 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2b1r h GLN 19 CO -0.25 0.52 -0.07 0.00 -1.93 0.00 0.00 178.83 177.09 2b1r h ALA 20 N 1.09 0.87 -0.35 3.38 0.00 -1.80 -1.25 119.26 121.20 2b1r h ALA 20 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2b1r h ALA 20 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2b1r h ALA 20 CO -0.02 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.35 2b1r h LEU 21 N 0.87 0.39 -0.41 0.00 6.46 -0.47 -0.94 115.31 121.20 2b1r h LEU 21 Ca 0.15 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2b1r h LEU 21 Cb 0.61 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 2b1r h LEU 21 CO 0.04 0.28 0.17 -0.33 -0.62 0.00 0.00 178.44 177.97 2b1r h GLU 22 N 0.46 0.61 0.00 1.25 5.08 -0.69 -0.88 114.58 120.42 2b1r h GLU 22 Ca 0.13 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2b1r h GLU 22 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2b1r h GLU 22 CO -0.04 0.57 -0.18 1.12 -1.00 0.00 0.00 179.01 179.49 2b1r h HIS 23 N 0.52 0.00 -0.20 4.33 2.07 -1.09 -0.72 115.15 120.06 2b1r h HIS 23 Ca 0.14 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.58 2b1r h HIS 23 Cb 0.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.16 2b1r h HIS 23 CO -0.00 0.18 -0.19 1.25 -3.07 0.00 0.00 177.93 176.10 2b1r h LEU 24 N 0.00 0.52 -1.04 6.12 5.85 -0.84 -2.10 115.31 123.81 2b1r h LEU 24 Ca -0.00 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 2b1r h LEU 24 Cb 0.83 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2b1r h LEU 24 CO 0.02 0.88 -0.42 1.56 -0.34 0.00 0.00 178.44 180.15 2b1r h GLN 25 N 0.16 0.12 -0.19 1.25 4.20 -0.94 -1.05 115.11 118.66 2b1r h GLN 25 Ca 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2b1r h GLN 25 Cb 0.73 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2b1r h GLN 25 CO 0.05 0.52 0.00 0.93 -0.67 0.00 0.00 178.83 179.66 2b1r h GLU 26 N 0.10 0.33 0.36 1.46 4.39 -1.06 0.49 114.58 120.66 2b1r h GLU 26 Ca 0.01 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2b1r h GLU 26 Cb 0.78 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2b1r h GLU 26 CO 0.06 0.53 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.34 2b1r h TYR 27 N 0.09 -0.45 -0.40 4.33 5.03 -1.20 -2.71 116.97 121.66 2b1r h TYR 27 Ca 0.05 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 2b1r h TYR 27 Cb 0.38 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2b1r h TYR 27 CO 0.03 -0.27 0.12 -0.07 -1.32 0.00 0.00 178.16 176.65 2b1r h LEU 28 N -0.50 0.53 -2.18 2.82 3.38 -1.17 -2.18 115.31 116.02 2b1r h LEU 28 Ca -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2b1r h LEU 28 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2b1r h LEU 28 CO 0.08 0.52 0.00 1.23 0.09 0.00 0.00 178.44 180.37 2b1r h GLY 29 N 0.78 0.00 -0.23 0.83 0.00 0.31 -1.79 103.07 102.97 2b1r h GLY 29 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2b1r h GLY 29 CO -0.01 0.00 -0.11 1.22 0.00 0.00 0.00 176.54 177.65 2b1r n ASP 30 N -2.74 1.36 -2.75 0.19 8.00 -0.82 -4.19 116.55 115.60 2b1r n ASP 30 Ca -0.02 -1.27 -0.01 0.00 0.71 0.00 0.00 54.79 54.20 2b1r n ASP 30 Cb 0.09 0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.33 2b1r n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2b1r n ARG 31 N -0.12 1.56 -0.25 -1.24 1.85 -0.71 -4.97 116.66 112.76 2b1r n ARG 31 Ca 0.16 -2.46 0.18 0.00 -1.00 0.00 0.00 57.85 54.73 2b1r n ARG 31 Cb 0.36 -0.68 0.48 0.00 -1.05 0.00 0.00 32.46 31.57 2b1r n ARG 31 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2b1r h ARG 32 N 1.87 0.46 0.00 2.89 9.65 -1.62 -0.49 114.38 127.14 2b1r h ARG 32 Ca -0.28 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2b1r h ARG 32 Cb 1.29 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2b1r h ARG 32 CO 0.01 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.50 2b1r n GLY 33 N -1.49 -1.06 0.44 2.80 0.00 -1.26 -3.35 105.19 101.27 2b1r n GLY 33 Ca 0.19 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2b1r n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b1r n ASN 34 N -1.34 1.43 -3.68 1.61 5.03 -0.19 -4.90 115.26 113.21 2b1r n ASN 34 Ca 0.09 -1.38 -0.12 0.00 0.87 0.00 0.00 54.58 54.03 2b1r n ASN 34 Cb 0.19 0.03 -0.07 0.00 -1.02 0.00 0.00 39.78 38.92 2b1r n ASN 34 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2b1r s PHE 35 N -2.10 -0.23 -0.11 3.10 -0.71 -1.21 -2.61 117.98 114.11 2b1r s PHE 35 Ca 0.35 0.16 -0.10 0.00 -1.04 0.00 0.00 56.93 56.31 2b1r s PHE 35 Cb 0.21 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 2b1r s PHE 35 CO 0.37 -0.56 0.21 0.71 -1.34 0.00 0.00 175.22 174.61 2b1r s TYR 36 N -2.51 3.59 -0.07 3.49 1.51 0.31 -4.99 117.35 118.69 2b1r s TYR 36 Ca -0.05 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 56.66 2b1r s TYR 36 Cb -0.01 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2b1r s TYR 36 CO -0.03 0.62 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.66 2b1r s LEU 37 N -0.74 2.31 -0.02 -1.29 2.96 -1.26 -0.96 118.68 119.68 2b1r s LEU 37 Ca 0.16 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2b1r s LEU 37 Cb -0.13 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.14 2b1r s LEU 37 CO 0.05 0.24 0.02 0.00 -1.32 0.00 0.00 176.35 175.35 2b1r s ALA 38 N -0.15 0.13 -0.25 5.97 0.00 -0.15 0.93 121.76 128.24 2b1r s ALA 38 Ca -0.03 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 2b1r s ALA 38 Cb -0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2b1r s ALA 38 CO 0.04 -0.09 0.27 0.71 0.00 0.00 0.00 175.76 176.69 2b1r s TYR 39 N 0.93 3.28 -0.56 0.00 2.02 -1.01 -1.94 117.35 120.07 2b1r s TYR 39 Ca -0.08 0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.88 2b1r s TYR 39 Cb -0.12 -2.43 0.15 0.00 -0.40 0.00 0.00 41.96 39.16 2b1r s TYR 39 CO -0.02 -0.09 0.40 0.00 -1.57 0.00 0.00 175.55 174.26 2b1r s ALA 40 N 1.57 3.49 0.25 3.71 0.00 -0.11 0.05 121.76 130.72 2b1r s ALA 40 Ca 0.11 -2.94 0.11 0.00 0.00 0.00 0.00 51.96 49.24 2b1r s ALA 40 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 2b1r s ALA 40 CO 0.08 -2.01 -0.14 -0.08 0.00 0.00 0.00 175.76 173.62 2b1r s THR 41 N 0.55 2.82 -0.72 0.00 -1.32 -0.41 -3.69 115.64 112.87 2b1r s THR 41 Ca 0.13 -2.14 0.26 0.00 -1.21 0.00 0.00 61.69 58.73 2b1r s THR 41 Cb -0.21 -2.46 0.26 0.00 -1.51 0.00 0.00 72.50 68.58 2b1r s THR 41 CO -0.04 -0.32 1.73 0.61 -2.21 0.00 0.00 174.62 174.39 2b1r n GLY 42 N -0.51 -1.68 3.80 6.08 0.00 -1.26 -0.94 105.19 110.68 2b1r n GLY 42 Ca -0.07 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2b1r n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b1r s ARG 43 N -3.11 3.49 0.93 1.61 0.52 -1.26 -3.94 118.95 117.19 2b1r s ARG 43 Ca 0.10 1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 56.45 2b1r s ARG 43 Cb 0.12 -2.05 0.15 0.00 0.52 0.00 0.00 34.95 33.69 2b1r s ARG 43 CO 0.61 -0.68 1.09 -1.54 0.02 0.00 0.00 175.30 174.80 2b1r s SER 44 N -2.51 3.18 0.14 0.23 1.04 -1.26 -0.47 113.70 114.04 2b1r s SER 44 Ca 0.65 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 58.30 2b1r s SER 44 Cb -0.16 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 2b1r s SER 44 CO 0.31 -2.81 1.76 0.22 0.98 0.00 0.00 173.24 173.70 2b1r h TYR 45 N -1.67 0.23 -0.56 5.02 3.20 -1.96 -0.38 116.97 120.84 2b1r h TYR 45 Ca -0.51 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.41 2b1r h TYR 45 Cb 1.30 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 2b1r h TYR 45 CO 0.38 0.12 0.31 1.25 -1.64 0.00 0.00 178.16 178.59 2b1r h HIS 46 N 0.26 0.58 -0.66 -3.82 2.76 -1.99 0.32 115.15 112.61 2b1r h HIS 46 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 2b1r h HIS 46 Cb 0.05 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 2b1r h HIS 46 CO -0.10 0.30 0.09 1.03 -1.30 0.00 0.00 177.93 177.95 2b1r h SER 47 N 0.60 1.05 -0.66 3.26 0.87 -1.84 -1.01 113.55 115.83 2b1r h SER 47 Ca 0.24 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2b1r h SER 47 Cb 0.09 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2b1r h SER 47 CO -0.14 1.05 0.14 0.00 -0.53 0.00 0.00 176.83 177.35 2b1r h ALA 48 N 1.07 0.88 -0.34 6.23 0.00 -0.49 -0.45 119.26 126.17 2b1r h ALA 48 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2b1r h ALA 48 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2b1r h ALA 48 CO 0.01 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 2b1r h ARG 49 N 1.00 0.56 -0.40 0.00 2.47 -0.67 -1.00 114.38 116.34 2b1r h ARG 49 Ca 0.21 -0.15 -0.12 0.00 -1.26 0.00 0.00 59.98 58.66 2b1r h ARG 49 Cb 0.39 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2b1r h ARG 49 CO 0.01 0.64 -0.21 1.49 0.56 0.00 0.00 179.97 182.46 2b1r h GLU 50 N 0.52 0.85 -0.78 0.04 4.57 -0.66 -2.87 114.58 116.27 2b1r h GLU 50 Ca 0.10 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 2b1r h GLU 50 Cb 0.45 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2b1r h GLU 50 CO 0.02 1.02 0.35 1.25 -1.18 0.00 0.00 179.01 180.47 2b1r h LEU 51 N 0.67 1.03 -0.91 1.64 5.85 -0.60 -2.20 115.31 120.78 2b1r h LEU 51 Ca 0.09 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2b1r h LEU 51 Cb 0.77 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2b1r h LEU 51 CO 0.06 0.88 0.56 -0.61 -0.34 0.00 0.00 178.44 178.99 2b1r h GLN 52 N 1.11 0.94 -0.16 1.25 4.15 -0.99 -1.15 115.11 120.25 2b1r h GLN 52 Ca 0.27 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 2b1r h GLN 52 Cb 0.15 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2b1r h GLN 52 CO -0.03 0.62 -0.47 0.87 -1.93 0.00 0.00 178.83 177.88 2b1r h LYS 53 N 0.96 0.40 -0.27 1.69 1.57 -1.23 0.21 116.57 119.92 2b1r h LYS 53 Ca 0.42 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2b1r h LYS 53 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2b1r h LYS 53 CO -0.22 0.79 -0.21 0.37 -0.57 0.00 0.00 179.45 179.61 2b1r h GLN 54 N 0.32 0.61 -0.02 3.15 4.15 -0.67 -3.34 115.11 119.31 2b1r h GLN 54 Ca 0.02 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2b1r h GLN 54 Cb 0.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2b1r h GLN 54 CO 0.08 0.90 0.00 1.33 -1.93 0.00 0.00 178.83 179.21 2b1r n VAL 55 N -4.36 0.01 -2.68 2.39 0.24 -0.60 -5.01 118.33 108.32 2b1r n VAL 55 Ca -0.04 -0.51 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 2b1r n VAL 55 Cb 0.42 1.24 0.03 0.00 -1.47 0.00 0.00 33.84 34.06 2b1r n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b1r n GLY 56 N 0.68 0.24 3.75 7.63 0.00 0.67 -4.98 105.19 113.16 2b1r n GLY 56 Ca 0.07 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2b1r n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b1r s LEU 57 N -3.54 4.39 0.52 0.99 1.43 -0.70 -4.97 118.68 116.80 2b1r s LEU 57 Ca 0.08 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.68 2b1r s LEU 57 Cb -0.04 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 2b1r s LEU 57 CO 0.27 -0.70 1.13 0.00 0.23 0.00 0.00 176.35 177.28 2b1r s MET 58 N -0.56 3.47 -0.00 1.70 0.23 -1.26 -4.93 119.30 117.95 2b1r s MET 58 Ca 0.58 1.61 -0.30 0.00 -1.03 0.00 0.00 55.69 56.56 2b1r s MET 58 Cb -0.42 -2.08 -0.07 0.00 -1.53 0.00 0.00 34.83 30.73 2b1r s MET 58 CO 0.45 -0.75 1.69 -2.00 -2.03 0.00 0.00 175.02 172.37 2b1r s GLU 59 N -3.18 4.19 0.70 3.16 2.56 -1.26 -5.01 118.70 119.86 2b1r s GLU 59 Ca 0.71 2.28 -0.06 0.00 0.00 0.00 0.00 54.97 57.90 2b1r s GLU 59 Cb -0.24 -3.87 0.07 0.00 2.00 0.00 0.00 34.13 32.09 2b1r s GLU 59 CO 0.27 -0.81 1.00 -1.25 -0.56 0.00 0.00 175.26 173.91 2b1r s PRO 60 N 3.58 2.16 0.03 4.30 0.04 -1.26 -4.97 135.00 138.88 2b1r s PRO 60 Ca 0.75 -0.36 0.09 0.00 0.04 0.00 0.00 61.00 61.51 2b1r s PRO 60 Cb -0.37 -2.20 -0.23 0.00 0.04 0.00 0.00 34.50 31.75 2b1r s PRO 60 CO 0.32 -1.23 0.94 -0.44 0.04 0.00 0.00 177.00 176.63 2b1r h ASP 61 N -0.55 0.04 -5.15 6.66 3.32 0.18 -3.48 116.42 117.43 2b1r h ASP 61 Ca -0.44 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 2b1r h ASP 61 Cb 1.31 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.69 2b1r h ASP 61 CO 0.58 1.05 -0.57 -0.31 -1.72 0.00 0.00 179.24 178.26 2b1r s TYR 62 N -2.65 0.33 -0.17 4.55 1.51 -0.68 -3.83 117.35 116.42 2b1r s TYR 62 Ca -0.03 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 2b1r s TYR 62 Cb 0.09 -0.23 0.03 0.00 -0.11 0.00 0.00 41.96 41.74 2b1r s TYR 62 CO 0.82 -0.39 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.17 2b1r s TRP 63 N -3.30 2.19 -0.69 2.71 0.52 -0.91 -2.40 118.94 117.06 2b1r s TRP 63 Ca 0.01 -1.32 -0.09 0.00 0.02 0.00 0.00 56.10 54.72 2b1r s TRP 63 Cb 0.03 -1.58 0.18 0.00 -1.15 0.00 0.00 33.47 30.95 2b1r s TRP 63 CO -0.08 -0.69 0.58 -0.51 0.02 0.00 0.00 176.95 176.27 2b1r s LEU 64 N 1.48 5.99 0.53 2.99 1.43 0.11 -0.80 118.68 130.41 2b1r s LEU 64 Ca 0.03 -2.64 0.02 0.00 -1.03 0.00 0.00 54.13 50.51 2b1r s LEU 64 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2b1r s LEU 64 CO -0.10 -0.51 0.75 0.42 0.23 0.00 0.00 176.35 177.14 2b1r s THR 65 N 0.26 2.75 -1.38 5.49 -4.23 0.03 -1.29 115.64 117.26 2b1r s THR 65 Ca 0.16 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.89 2b1r s THR 65 Cb -0.17 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.66 2b1r s THR 65 CO -0.05 -0.01 0.37 0.00 -0.54 0.00 0.00 174.62 174.39 2b1r n ALA 66 N -2.29 -2.19 -3.15 3.99 0.00 0.38 -0.53 120.51 116.72 2b1r n ALA 66 Ca 0.08 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2b1r n ALA 66 Cb 0.60 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 18.29 2b1r n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b1r n VAL 67 N -4.56 -2.14 -0.98 0.00 0.31 -0.11 -1.94 118.33 108.90 2b1r n VAL 67 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2b1r n VAL 67 Cb 0.66 -3.50 0.00 0.00 -0.91 0.00 0.00 33.84 30.08 2b1r n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b1r n GLY 68 N -1.60 0.49 0.21 2.92 0.00 0.31 -2.74 105.19 104.78 2b1r n GLY 68 Ca -0.09 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2b1r n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b1r h SER 69 N 0.00 0.00 -3.71 1.61 4.64 -0.63 -3.39 113.55 112.07 2b1r h SER 69 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2b1r h SER 69 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 2b1r h SER 69 CO 0.00 0.00 -0.76 -1.61 -0.87 0.00 0.00 176.83 173.59 2b1r s GLU 70 N -3.21 0.54 -0.13 4.77 2.02 -1.07 -4.86 118.70 116.76 2b1r s GLU 70 Ca 0.07 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 54.97 2b1r s GLU 70 Cb 0.06 -0.56 0.01 0.00 0.10 0.00 0.00 34.13 33.74 2b1r s GLU 70 CO 0.66 0.02 -0.21 0.42 0.02 0.00 0.00 175.26 176.16 2b1r s ILE 71 N 0.37 1.97 -0.18 -1.63 1.01 -1.26 -0.79 121.20 120.70 2b1r s ILE 71 Ca -0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 2b1r s ILE 71 Cb -0.08 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2b1r s ILE 71 CO -0.00 0.53 -0.06 -0.31 0.00 0.00 0.00 174.94 175.10 2b1r s TYR 72 N 0.79 2.94 0.49 3.97 1.51 0.02 -0.38 117.35 126.70 2b1r s TYR 72 Ca -0.08 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 2b1r s TYR 72 Cb -0.16 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 2b1r s TYR 72 CO -0.01 -0.30 0.70 -1.01 -1.11 0.00 0.00 175.55 173.82 2b1r s HIS 73 N 0.85 2.99 0.52 2.71 3.76 0.14 -2.15 115.29 124.10 2b1r s HIS 73 Ca -0.02 0.02 0.24 0.00 -0.15 0.00 0.00 55.06 55.15 2b1r s HIS 73 Cb -0.15 -2.52 1.35 0.00 1.11 0.00 0.00 32.58 32.37 2b1r s HIS 73 CO 0.01 -0.60 1.99 -1.35 -0.85 0.00 0.00 174.74 173.94 2b1r h PRO 74 N 0.29 0.06 0.00 8.40 0.11 -1.95 0.15 132.00 139.05 2b1r h PRO 74 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2b1r h PRO 74 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2b1r h PRO 74 CO 0.53 0.04 -0.36 0.39 -0.21 0.00 0.00 178.00 178.39 2b1r n GLU 75 N -4.39 0.15 0.00 1.05 4.71 -1.26 -5.05 120.64 115.84 2b1r n GLU 75 Ca 0.10 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 2b1r n GLU 75 Cb 0.59 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2b1r n GLU 75 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2b1r n GLY 76 N 1.41 0.94 3.76 0.62 0.00 0.51 -5.10 105.19 107.34 2b1r n GLY 76 Ca 0.05 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2b1r n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b1r n LEU 77 N 0.00 4.60 -4.54 0.99 7.94 -1.26 0.24 117.00 124.97 2b1r n LEU 77 Ca 0.00 1.18 -0.42 0.00 -1.11 0.00 0.00 56.01 55.66 2b1r n LEU 77 Cb 0.00 -1.61 -0.03 0.00 0.53 0.00 0.00 43.42 42.31 2b1r n LEU 77 CO 0.00 0.19 1.08 -0.62 -1.11 0.00 0.00 177.39 176.93 2b1r s ASP 78 N 0.26 6.19 0.37 1.96 -1.08 0.49 -4.86 116.67 120.01 2b1r s ASP 78 Ca 0.60 -0.49 0.14 0.00 -0.52 0.00 0.00 52.55 52.28 2b1r s ASP 78 Cb -0.48 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.16 2b1r s ASP 78 CO 0.55 -1.72 1.80 -0.61 0.52 0.00 0.00 175.17 175.70 2b1r h GLN 79 N 9.88 0.00 -0.42 4.34 5.75 -1.91 -2.48 115.11 130.28 2b1r h GLN 79 Ca -0.28 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.18 2b1r h GLN 79 Cb 1.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 2b1r h GLN 79 CO 1.25 0.40 0.08 1.25 -2.65 0.00 0.00 178.83 179.15 2b1r h HIS 80 N 0.00 0.72 -0.40 3.99 2.76 -2.00 -1.72 115.15 118.51 2b1r h HIS 80 Ca -0.00 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 2b1r h HIS 80 Cb 0.74 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 2b1r h HIS 80 CO 0.00 0.69 0.22 2.35 -1.30 0.00 0.00 177.93 179.90 2b1r h TRP 81 N 0.54 0.54 -0.43 5.26 2.91 -1.92 -0.99 115.95 121.86 2b1r h TRP 81 Ca 0.13 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.16 2b1r h TRP 81 Cb 0.35 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 2b1r h TRP 81 CO 0.02 0.41 0.24 0.00 -1.03 0.00 0.00 178.44 178.08 2b1r h ALA 82 N 1.08 0.54 -0.60 2.65 0.00 -1.27 -0.14 119.26 121.52 2b1r h ALA 82 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2b1r h ALA 82 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2b1r h ALA 82 CO -0.02 -0.10 0.04 -0.44 0.00 0.00 0.00 179.25 178.73 2b1r h ASP 83 N 0.48 0.98 -0.78 0.00 3.32 -1.12 -0.76 116.42 118.53 2b1r h ASP 83 Ca 0.18 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2b1r h ASP 83 Cb 0.04 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2b1r h ASP 83 CO -0.10 1.01 0.46 0.22 -1.72 0.00 0.00 179.24 179.12 2b1r h TYR 84 N 0.94 1.04 0.00 4.55 5.03 -0.68 -2.53 116.97 125.33 2b1r h TYR 84 Ca 0.18 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.38 2b1r h TYR 84 Cb 0.49 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 2b1r h TYR 84 CO 0.03 0.71 -0.50 -0.07 -1.32 0.00 0.00 178.16 177.01 2b1r h LEU 85 N 1.07 0.00 -0.84 2.82 3.38 -0.70 -3.18 115.31 117.86 2b1r h LEU 85 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2b1r h LEU 85 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2b1r h LEU 85 CO -0.05 0.50 -0.09 0.28 0.09 0.00 0.00 178.44 179.17 2b1r h SER 86 N 0.00 0.00 -2.34 -0.43 0.02 -0.72 -3.41 113.55 106.68 2b1r h SER 86 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 2b1r h SER 86 Cb 1.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.66 2b1r h SER 86 CO 0.07 0.09 1.28 -0.70 -1.14 0.00 0.00 176.83 176.42 2b1r s GLU 87 N -3.48 3.84 0.00 3.45 2.12 -1.08 -2.28 118.70 121.28 2b1r s GLU 87 Ca 0.03 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.68 2b1r s GLU 87 Cb 0.08 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2b1r s GLU 87 CO 0.62 -1.28 0.00 0.72 -0.54 0.00 0.00 175.26 174.77 2b1r n HIS 88 N 8.69 0.00 -2.67 5.30 8.25 -1.26 -4.99 115.22 128.54 2b1r n HIS 88 Ca 0.22 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 2b1r n HIS 88 Cb 0.43 -0.63 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 2b1r n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2b1r s TRP 89 N -2.65 3.77 -0.55 4.41 -0.11 -0.96 -4.46 118.94 118.39 2b1r s TRP 89 Ca 0.00 1.76 0.04 0.00 1.22 0.00 0.00 56.10 59.12 2b1r s TRP 89 Cb 0.00 -3.11 0.16 0.00 -1.50 0.00 0.00 33.47 29.02 2b1r s TRP 89 CO 0.00 0.01 0.38 -0.65 -4.62 0.00 0.00 176.95 172.07 2b1r s GLN 90 N -0.27 1.69 0.15 5.86 -1.52 -1.26 -5.00 119.66 119.31 2b1r s GLN 90 Ca 0.47 -2.64 -0.17 0.00 -1.95 0.00 0.00 55.36 51.07 2b1r s GLN 90 Cb -0.25 -2.53 0.01 0.00 -0.22 0.00 0.00 33.01 30.01 2b1r s GLN 90 CO 0.32 -1.29 1.78 -0.09 -0.25 0.00 0.00 175.29 175.76 2b1r h ARG 91 N 5.79 0.37 -0.32 2.91 2.43 -1.95 -2.83 114.38 120.77 2b1r h ARG 91 Ca 0.15 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2b1r h ARG 91 Cb 0.85 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2b1r h ARG 91 CO 0.55 0.24 0.16 -0.44 -1.51 0.00 0.00 179.97 178.97 2b1r h ASP 92 N 0.38 0.23 -0.18 -3.80 3.32 -1.96 0.20 116.42 114.61 2b1r h ASP 92 Ca 0.13 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2b1r h ASP 92 Cb 0.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2b1r h ASP 92 CO -0.08 0.18 0.12 0.40 -1.72 0.00 0.00 179.24 178.14 2b1r h ILE 93 N 0.33 1.05 -0.85 0.35 2.04 -1.99 -0.39 117.51 118.06 2b1r h ILE 93 Ca 0.13 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2b1r h ILE 93 Cb 0.05 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2b1r h ILE 93 CO -0.09 0.05 0.50 -0.07 0.00 0.00 0.00 178.15 178.54 2b1r h LEU 94 N 0.23 1.03 -0.52 1.44 3.38 -1.25 -2.41 115.31 117.22 2b1r h LEU 94 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2b1r h LEU 94 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2b1r h LEU 94 CO -0.01 0.80 0.09 -0.61 0.09 0.00 0.00 178.44 178.80 2b1r h GLN 95 N 1.17 0.85 -0.64 1.13 4.15 -0.67 -1.07 115.11 120.03 2b1r h GLN 95 Ca 0.30 -0.23 0.06 0.00 0.77 0.00 0.00 58.65 59.56 2b1r h GLN 95 Cb -0.03 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.51 2b1r h GLN 95 CO -0.05 0.84 0.34 0.00 -1.93 0.00 0.00 178.83 178.02 2b1r h ALA 96 N 0.98 0.86 0.00 3.38 0.00 -0.72 0.31 119.26 124.07 2b1r h ALA 96 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2b1r h ALA 96 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b1r h ALA 96 CO 0.01 -0.00 -0.00 0.82 0.00 0.00 0.00 179.25 180.08 2b1r h ILE 97 N 0.63 1.23 -0.74 0.00 2.04 -1.16 -2.95 117.51 116.56 2b1r h ILE 97 Ca 0.29 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2b1r h ILE 97 Cb 0.21 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2b1r h ILE 97 CO -0.20 0.18 0.32 0.00 0.00 0.00 0.00 178.15 178.45 2b1r h ALA 98 N 0.70 0.96 -0.05 1.87 0.00 -0.89 -2.02 119.26 119.84 2b1r h ALA 98 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2b1r h ALA 98 Cb 0.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b1r h ALA 98 CO 0.00 0.56 0.08 -0.44 0.00 0.00 0.00 179.25 179.45 2b1r h ASP 99 N 1.06 0.00 0.63 0.00 3.32 -0.36 -2.14 116.42 118.93 2b1r h ASP 99 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2b1r h ASP 99 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2b1r h ASP 99 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 2b1r n GLY 100 N -1.28 -1.21 3.61 2.75 0.00 -0.76 -4.74 105.19 103.56 2b1r n GLY 100 Ca -0.02 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2b1r n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b1r s PHE 101 N -2.74 3.24 0.43 1.61 0.08 -0.81 -4.95 117.98 114.84 2b1r s PHE 101 Ca 0.19 0.71 0.12 0.00 0.12 0.00 0.00 56.93 58.07 2b1r s PHE 101 Cb 0.17 -2.95 0.98 0.00 -0.57 0.00 0.00 43.02 40.64 2b1r s PHE 101 CO 0.41 -0.42 2.02 1.05 -0.10 0.00 0.00 175.22 178.18 2b1r h GLU 102 N 8.05 0.43 0.00 0.44 4.11 -1.89 -1.58 114.58 124.14 2b1r h GLU 102 Ca -0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2b1r h GLU 102 Cb 1.12 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2b1r h GLU 102 CO 0.80 0.28 0.00 0.00 0.07 0.00 0.00 179.01 180.16 2b1r n ALA 103 N -2.50 2.05 -2.80 1.06 0.00 -1.26 -4.74 120.51 112.32 2b1r n ALA 103 Ca 0.07 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2b1r n ALA 103 Cb 0.25 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 2b1r n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2b1r s LEU 104 N -2.75 3.51 -0.09 0.00 1.43 -0.60 -0.92 118.68 119.27 2b1r s LEU 104 Ca 0.16 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2b1r s LEU 104 Cb 0.14 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2b1r s LEU 104 CO 0.35 0.26 -0.20 -1.59 0.23 0.00 0.00 176.35 175.40 2b1r s LYS 105 N -0.19 2.59 0.43 1.70 0.00 -0.77 -4.86 119.74 118.66 2b1r s LYS 105 Ca 0.05 -0.72 -0.25 0.00 0.00 0.00 0.00 55.97 55.05 2b1r s LYS 105 Cb -0.13 -2.01 -0.09 0.00 0.00 0.00 0.00 37.83 35.60 2b1r s LYS 105 CO 0.02 0.12 1.25 -2.30 0.00 0.00 0.00 175.35 174.44 2b1r n PRO 106 N 3.65 1.85 -2.01 1.78 -0.02 -1.26 -0.64 135.00 138.35 2b1r n PRO 106 Ca -0.20 0.66 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 2b1r n PRO 106 Cb 0.52 -2.36 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 2b1r n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2b1r s GLN 107 N -2.24 2.35 0.59 -0.52 -0.21 -0.24 -4.73 119.66 114.66 2b1r s GLN 107 Ca 0.62 0.12 -0.19 0.00 0.02 0.00 0.00 55.36 55.93 2b1r s GLN 107 Cb -0.50 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 2b1r s GLN 107 CO 0.57 -1.28 0.98 0.43 -2.12 0.00 0.00 175.29 173.88 2b1r n SER 108 N -3.08 0.87 -0.30 5.90 7.64 -1.26 -4.86 113.62 118.53 2b1r n SER 108 Ca 0.07 0.82 0.19 0.00 1.01 0.00 0.00 58.87 60.97 2b1r n SER 108 Cb 0.59 -1.40 0.47 0.00 -1.01 0.00 0.00 64.21 62.87 2b1r n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2b1r h PRO 109 N 0.57 0.47 0.00 1.43 0.11 -1.96 0.68 132.00 133.30 2b1r h PRO 109 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2b1r h PRO 109 Cb 1.36 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2b1r h PRO 109 CO 0.51 0.31 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 2b1r n LEU 110 N -4.61 0.00 -0.43 2.35 4.77 -1.26 -1.25 117.00 116.57 2b1r n LEU 110 Ca 0.23 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2b1r n LEU 110 Cb 0.74 -0.41 0.13 0.00 -2.33 0.00 0.00 43.42 41.56 2b1r n LEU 110 CO 0.27 -0.23 0.44 -0.62 -1.33 0.00 0.00 177.39 175.91 2b1r n GLU 111 N -1.41 1.14 -3.94 3.23 -0.58 0.23 -4.84 120.64 114.47 2b1r n GLU 111 Ca 0.04 -0.87 -0.26 0.00 -0.42 0.00 0.00 57.16 55.65 2b1r n GLU 111 Cb 0.13 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2b1r n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2b1r s GLN 112 N -2.46 3.44 0.27 3.49 -1.52 -0.38 -4.74 119.66 117.76 2b1r s GLN 112 Ca 0.21 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 52.87 2b1r s GLN 112 Cb 0.19 -2.96 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 2b1r s GLN 112 CO 0.54 0.52 0.58 0.54 -0.25 0.00 0.00 175.29 177.22 2b1r s ASN 113 N -3.24 -0.13 0.55 5.90 2.20 -1.00 -4.98 114.94 114.24 2b1r s ASN 113 Ca 0.35 -0.83 0.36 0.00 -0.94 0.00 0.00 52.86 51.79 2b1r s ASN 113 Cb -0.11 0.65 1.54 0.00 -2.00 0.00 0.00 41.25 41.33 2b1r s ASN 113 CO 0.29 -1.24 1.81 -0.65 -2.94 0.00 0.00 177.10 174.36 2b1r h PRO 114 N 2.14 0.00 -0.14 3.55 0.11 -1.99 -1.23 132.00 134.44 2b1r h PRO 114 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2b1r h PRO 114 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2b1r h PRO 114 CO 0.31 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.01 2b1r n TRP 115 N -4.16 0.51 -3.67 0.65 8.01 -1.26 -4.81 117.44 112.72 2b1r n TRP 115 Ca 0.24 -0.93 -0.15 0.00 -1.31 0.00 0.00 57.50 55.35 2b1r n TRP 115 Cb 1.20 -0.24 -0.14 0.00 -2.01 0.00 0.00 31.31 30.12 2b1r n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 2b1r s LYS 116 N -2.85 0.10 -0.23 -0.99 2.20 -0.47 -4.25 119.74 113.26 2b1r s LYS 116 Ca 0.38 0.66 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 2b1r s LYS 116 Cb 0.31 -0.13 0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2b1r s LYS 116 CO 0.06 -0.29 -0.15 0.42 -0.36 0.00 0.00 175.35 175.04 2b1r s ILE 117 N 2.31 2.15 0.07 5.43 1.01 -0.88 -2.38 121.20 128.91 2b1r s ILE 117 Ca 0.01 -1.32 0.09 0.00 0.00 0.00 0.00 60.65 59.43 2b1r s ILE 117 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2b1r s ILE 117 CO -0.07 0.22 -0.25 -0.44 0.00 0.00 0.00 174.94 174.39 2b1r s SER 118 N 1.19 3.02 0.26 3.58 0.01 -1.26 -0.15 113.70 120.35 2b1r s SER 118 Ca -0.03 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.63 2b1r s SER 118 Cb -0.17 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2b1r s SER 118 CO -0.08 0.21 0.14 -0.31 0.41 0.00 0.00 173.24 173.61 2b1r s TYR 119 N -0.89 1.44 -0.09 2.43 1.51 0.42 -1.08 117.35 121.09 2b1r s TYR 119 Ca 0.11 -1.35 0.04 0.00 -1.01 0.00 0.00 57.07 54.87 2b1r s TYR 119 Cb -0.10 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 2b1r s TYR 119 CO 0.03 -0.54 -0.23 -1.01 -1.11 0.00 0.00 175.55 172.68 2b1r s HIS 120 N -3.83 2.47 -0.01 2.71 3.76 0.19 -1.02 115.29 119.56 2b1r s HIS 120 Ca 0.38 -0.97 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 2b1r s HIS 120 Cb 0.06 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 2b1r s HIS 120 CO 0.15 -0.38 0.75 -1.17 -0.85 0.00 0.00 174.74 173.24 2b1r s LEU 121 N 0.28 4.39 0.17 0.89 2.96 0.72 -1.84 118.68 126.24 2b1r s LEU 121 Ca -0.16 1.35 -0.34 0.00 -0.22 0.00 0.00 54.13 54.76 2b1r s LEU 121 Cb -0.17 -3.18 -0.14 0.00 0.50 0.00 0.00 46.19 43.20 2b1r s LEU 121 CO 0.08 -0.06 1.59 -0.67 -1.32 0.00 0.00 176.35 175.97 2b1r n ASP 122 N 3.29 3.19 0.31 3.68 -0.08 -0.09 -4.82 116.55 122.02 2b1r n ASP 122 Ca -0.01 1.08 0.17 0.00 -1.51 0.00 0.00 54.79 54.52 2b1r n ASP 122 Cb 0.51 -1.44 1.01 0.00 2.34 0.00 0.00 41.12 43.53 2b1r n ASP 122 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b1r h PRO 123 N 6.02 0.00 0.00 -0.67 0.11 -1.93 -1.01 132.00 134.52 2b1r h PRO 123 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2b1r h PRO 123 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2b1r h PRO 123 CO 0.90 0.00 -0.65 1.04 -0.21 0.00 0.00 178.00 179.08 2b1r n GLN 124 N -3.61 0.11 -2.16 1.05 1.13 -1.26 -4.93 117.38 107.71 2b1r n GLN 124 Ca -0.03 0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.74 2b1r n GLN 124 Cb 0.08 -1.55 -0.00 0.00 0.11 0.00 0.00 30.24 28.88 2b1r n GLN 124 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b1r s ALA 125 N -3.07 3.16 -0.15 -1.58 0.00 -0.38 -5.03 121.76 114.71 2b1r s ALA 125 Ca 0.09 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 2b1r s ALA 125 Cb 0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 2b1r s ALA 125 CO 0.73 -0.50 0.84 0.00 0.00 0.00 0.00 175.76 176.83 2b1r h PRO 127 N 7.23 0.00 -0.27 0.00 0.11 -1.96 -0.40 132.00 136.71 2b1r h PRO 127 Ca -0.31 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.88 2b1r h PRO 127 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2b1r h PRO 127 CO 0.83 0.00 0.28 1.15 -0.21 0.00 0.00 178.00 180.05 2b1r h THR 128 N 0.00 0.48 -0.35 -1.15 2.02 -2.02 -0.30 112.91 111.59 2b1r h THR 128 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2b1r h THR 128 Cb 0.95 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2b1r h THR 128 CO -0.00 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.71 2b1r h VAL 129 N 0.00 0.91 -0.64 3.16 2.07 -1.47 -0.42 116.25 119.86 2b1r h VAL 129 Ca 0.13 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2b1r h VAL 129 Cb 0.70 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2b1r h VAL 129 CO -0.00 0.03 0.24 0.40 0.02 0.00 0.00 177.57 178.26 2b1r h ILE 130 N 0.17 1.23 -0.41 4.57 1.08 -1.28 0.23 117.51 123.10 2b1r h ILE 130 Ca 0.16 -0.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2b1r h ILE 130 Cb 0.40 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2b1r h ILE 130 CO -0.02 0.29 0.10 0.44 -0.69 0.00 0.00 178.15 178.27 2b1r h ASP 131 N 0.93 0.63 -0.42 1.72 3.32 -1.22 -0.12 116.42 121.27 2b1r h ASP 131 Ca 0.22 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2b1r h ASP 131 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2b1r h ASP 131 CO -0.02 0.70 0.22 1.56 -1.72 0.00 0.00 179.24 179.99 2b1r h GLN 132 N 0.53 0.59 0.14 3.56 4.20 -1.14 -1.57 115.11 121.42 2b1r h GLN 132 Ca 0.13 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2b1r h GLN 132 Cb 0.32 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2b1r h GLN 132 CO 0.00 0.49 -0.12 1.25 -0.67 0.00 0.00 178.83 179.78 2b1r h LEU 133 N 0.54 -0.30 -0.07 1.46 5.85 -0.78 -1.36 115.31 120.65 2b1r h LEU 133 Ca 0.15 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2b1r h LEU 133 Cb 0.08 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2b1r h LEU 133 CO -0.02 -0.18 -0.25 0.74 -0.34 0.00 0.00 178.44 178.38 2b1r h THR 134 N -0.27 0.41 -0.29 1.05 2.02 -0.85 0.89 112.91 115.86 2b1r h THR 134 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2b1r h THR 134 Cb 0.25 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2b1r h THR 134 CO -0.02 0.00 0.04 -0.08 0.37 0.00 0.00 175.52 175.84 2b1r h GLU 135 N -0.35 0.14 -0.69 6.66 4.81 -1.20 0.93 114.58 124.88 2b1r h GLU 135 Ca 0.08 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2b1r h GLU 135 Cb 0.47 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2b1r h GLU 135 CO -0.27 0.09 0.44 1.98 -0.73 0.00 0.00 179.01 180.52 2b1r h MET 136 N 0.15 0.85 -0.28 1.92 4.05 -0.79 -1.28 114.93 119.55 2b1r h MET 136 Ca 0.14 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2b1r h MET 136 Cb 0.15 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2b1r h MET 136 CO -0.19 0.56 -0.08 -0.07 0.23 0.00 0.00 176.91 177.36 2b1r h LEU 137 N 0.88 0.55 -0.71 3.39 3.38 -0.38 -3.16 115.31 119.26 2b1r h LEU 137 Ca 0.27 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2b1r h LEU 137 Cb -0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2b1r h LEU 137 CO -0.09 0.80 0.43 0.11 0.09 0.00 0.00 178.44 179.78 2b1r h LYS 138 N 0.29 0.79 0.00 1.13 1.79 -0.53 -1.80 116.57 118.23 2b1r h LYS 138 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2b1r h LYS 138 Cb 0.57 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2b1r h LYS 138 CO 0.03 0.52 0.00 0.39 -1.08 0.00 0.00 179.45 179.31 2b1r n GLU 139 N -4.70 0.04 0.18 3.15 1.02 -0.51 -0.99 120.64 118.84 2b1r n GLU 139 Ca 0.09 0.31 0.13 0.00 -0.02 0.00 0.00 57.16 57.67 2b1r n GLU 139 Cb 0.13 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.45 2b1r n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2b1r h THR 140 N 0.00 0.00 0.00 2.62 1.35 -1.38 -3.46 112.91 112.03 2b1r h THR 140 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2b1r h THR 140 Cb 0.06 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2b1r h THR 140 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2b1r n GLY 141 N 0.76 1.99 3.71 5.82 0.00 -0.16 -5.01 105.19 112.30 2b1r n GLY 141 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2b1r n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b1r s ILE 142 N -2.89 4.45 -0.67 -0.61 1.01 -1.26 -4.92 121.20 116.31 2b1r s ILE 142 Ca 0.00 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 62.16 2b1r s ILE 142 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2b1r s ILE 142 CO 0.00 0.14 2.13 -2.16 0.00 0.00 0.00 174.94 175.05 2b1r s PRO 143 N 0.99 2.28 0.08 2.79 0.04 -1.26 -4.82 135.00 135.11 2b1r s PRO 143 Ca 0.55 0.63 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2b1r s PRO 143 Cb -0.25 -4.65 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 2b1r s PRO 143 CO 0.29 -3.32 -0.10 0.54 0.04 0.00 0.00 177.00 174.45 2b1r s VAL 144 N 11.16 0.90 0.05 -0.36 0.11 -1.26 -2.01 120.40 128.99 2b1r s VAL 144 Ca 0.81 -1.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 2b1r s VAL 144 Cb -0.13 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 2b1r s VAL 144 CO 0.16 -0.49 -0.08 0.00 -3.33 0.00 0.00 175.10 171.35 2b1r s GLN 145 N -2.47 0.58 -0.16 1.54 -2.07 0.39 -4.63 119.66 112.83 2b1r s GLN 145 Ca 0.02 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.73 2b1r s GLN 145 Cb -0.05 -0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 31.51 2b1r s GLN 145 CO 0.00 0.06 -0.08 0.08 -1.32 0.00 0.00 175.29 174.04 2b1r s VAL 146 N -1.48 3.39 -0.21 3.63 1.01 -1.26 -1.84 120.40 123.64 2b1r s VAL 146 Ca -0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2b1r s VAL 146 Cb -0.09 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2b1r s VAL 146 CO 0.00 0.49 -0.01 -0.63 0.00 0.00 0.00 175.10 174.95 2b1r s ILE 147 N 0.65 3.74 -0.16 2.22 -1.09 0.30 -4.96 121.20 121.90 2b1r s ILE 147 Ca -0.04 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2b1r s ILE 147 Cb -0.15 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 2b1r s ILE 147 CO 0.02 0.41 -0.20 0.12 -1.23 0.00 0.00 174.94 174.06 2b1r s PHE 148 N 1.29 2.67 0.04 3.97 5.99 -1.26 -0.61 117.98 130.06 2b1r s PHE 148 Ca 0.04 -1.47 -0.06 0.00 0.00 0.00 0.00 56.93 55.44 2b1r s PHE 148 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 43.02 41.03 2b1r s PHE 148 CO 0.00 -0.71 0.11 -1.54 -0.00 0.00 0.00 175.22 173.09 2b1r s SER 149 N 1.08 0.16 -1.86 6.13 1.04 -0.53 -4.34 113.70 115.39 2b1r s SER 149 Ca -0.01 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2b1r s SER 149 Cb -0.14 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2b1r s SER 149 CO -0.08 -0.52 0.00 -1.20 0.98 0.00 0.00 173.24 172.43 2b1r n SER 150 N 0.75 -4.83 0.00 7.02 7.64 -1.26 -1.22 113.62 121.72 2b1r n SER 150 Ca -0.19 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2b1r n SER 150 Cb 0.59 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 2b1r n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b1r n GLY 151 N -0.43 0.07 0.00 0.23 0.00 -1.26 -4.65 105.19 99.15 2b1r n GLY 151 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2b1r n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2b1r n LYS 152 N 0.31 0.00 -3.01 1.61 2.85 -0.71 -4.82 118.16 114.38 2b1r n LYS 152 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2b1r n LYS 152 Cb 0.41 -0.46 -0.05 0.00 -0.65 0.00 0.00 35.03 34.27 2b1r n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2b1r s ASP 153 N -1.25 6.94 -0.14 -5.58 1.01 -0.36 -0.20 116.67 117.10 2b1r s ASP 153 Ca 0.00 1.14 0.02 0.00 0.71 0.00 0.00 52.55 54.42 2b1r s ASP 153 Cb 0.00 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.53 2b1r s ASP 153 CO 0.00 -0.21 -0.18 -0.69 0.21 0.00 0.00 175.17 174.30 2b1r s VAL 154 N 1.30 1.82 -0.07 -1.27 1.01 -0.19 -1.45 120.40 121.55 2b1r s VAL 154 Ca 0.37 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2b1r s VAL 154 Cb -0.17 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2b1r s VAL 154 CO 0.16 0.50 -0.22 -1.81 0.00 0.00 0.00 175.10 173.73 2b1r s ASP 155 N 1.08 2.75 -0.27 3.32 1.01 0.22 -0.44 116.67 124.33 2b1r s ASP 155 Ca -0.02 -0.47 -0.07 0.00 0.71 0.00 0.00 52.55 52.69 2b1r s ASP 155 Cb -0.14 -0.99 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 2b1r s ASP 155 CO -0.06 0.17 0.08 -0.76 0.21 0.00 0.00 175.17 174.82 2b1r s LEU 156 N 0.14 3.63 0.16 1.23 1.02 0.78 -0.54 118.68 125.12 2b1r s LEU 156 Ca -0.10 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.68 2b1r s LEU 156 Cb -0.15 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 2b1r s LEU 156 CO 0.05 -0.10 -0.08 -0.76 0.02 0.00 0.00 176.35 175.48 2b1r s LEU 157 N 1.58 2.44 0.65 1.79 1.43 -0.77 -2.08 118.68 123.73 2b1r s LEU 157 Ca 0.05 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 2b1r s LEU 157 Cb -0.16 -0.31 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 2b1r s LEU 157 CO 0.03 -0.38 1.21 -2.84 0.23 0.00 0.00 176.35 174.61 2b1r s PRO 158 N -3.78 2.62 0.51 1.29 0.02 -1.26 -0.46 135.00 133.94 2b1r s PRO 158 Ca 0.19 1.81 0.19 0.00 0.02 0.00 0.00 61.00 63.21 2b1r s PRO 158 Cb 0.03 -1.89 1.31 0.00 0.02 0.00 0.00 34.50 33.98 2b1r s PRO 158 CO 0.02 -1.48 2.12 1.96 -0.33 0.00 0.00 177.00 179.29 2b1r h GLN 159 N 0.38 0.00 0.00 5.54 4.20 -1.66 -1.03 115.11 122.53 2b1r h GLN 159 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2b1r h GLN 159 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2b1r h GLN 159 CO 0.53 0.06 0.00 0.54 -0.67 0.00 0.00 178.83 179.29 2b1r n ARG 160 N -4.28 0.09 0.00 1.46 1.74 -1.26 -4.80 116.66 109.61 2b1r n ARG 160 Ca -0.03 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2b1r n ARG 160 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2b1r n ARG 160 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2b1r n SER 161 N -1.42 0.00 0.00 0.55 2.88 -0.39 -4.67 113.62 110.57 2b1r n SER 161 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2b1r n SER 161 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2b1r n SER 161 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b1r n ASN 162 N 0.00 0.00 -0.30 -3.46 0.23 -1.11 -4.25 115.26 106.37 2b1r n ASN 162 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 2b1r n ASN 162 Cb 0.00 0.10 0.33 0.00 -2.08 0.00 0.00 39.78 38.12 2b1r n ASN 162 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2b1r h LYS 163 N 0.00 0.78 0.00 -3.83 1.57 -1.77 -2.06 116.57 111.26 2b1r h LYS 163 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2b1r h LYS 163 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2b1r h LYS 163 CO 0.00 0.52 -0.00 0.78 -0.57 0.00 0.00 179.45 180.18 2b1r h GLY 164 N 0.80 -0.00 1.24 3.86 0.00 -1.86 -0.16 103.07 106.95 2b1r h GLY 164 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 2b1r h GLY 164 CO -0.23 -0.00 0.17 3.43 0.00 0.00 0.00 176.54 179.91 2b1r h ASN 165 N -0.21 0.89 -0.77 0.19 2.35 -1.67 -0.60 115.58 115.76 2b1r h ASN 165 Ca -0.00 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 2b1r h ASN 165 Cb 0.21 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2b1r h ASN 165 CO 0.00 0.85 0.28 0.00 -1.65 0.00 0.00 177.43 176.91 2b1r h ALA 166 N 1.27 1.04 -0.11 -0.83 0.00 -1.31 -1.75 119.26 117.56 2b1r h ALA 166 Ca 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b1r h ALA 166 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b1r h ALA 166 CO -0.00 0.67 0.06 1.15 0.00 0.00 0.00 179.25 181.12 2b1r h THR 167 N 1.13 1.11 -0.58 0.00 2.02 -0.28 -1.01 112.91 115.30 2b1r h THR 167 Ca 0.25 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2b1r h THR 167 Cb 0.25 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2b1r h THR 167 CO -0.02 0.10 0.34 1.56 0.37 0.00 0.00 175.52 177.87 2b1r h GLN 168 N 0.06 0.79 -0.45 6.66 4.20 -0.92 0.11 115.11 125.55 2b1r h GLN 168 Ca 0.04 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2b1r h GLN 168 Cb 0.11 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2b1r h GLN 168 CO -0.01 0.56 0.13 -0.92 -0.67 0.00 0.00 178.83 177.92 2b1r h TYR 169 N 0.80 0.74 -0.54 2.96 5.03 -1.02 -1.51 116.97 123.43 2b1r h TYR 169 Ca 0.21 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 2b1r h TYR 169 Cb -0.01 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 2b1r h TYR 169 CO 0.00 0.67 0.15 1.25 -1.32 0.00 0.00 178.16 178.91 2b1r h LEU 170 N 0.59 0.81 -0.42 2.82 5.85 -0.28 -0.23 115.31 124.45 2b1r h LEU 170 Ca 0.14 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2b1r h LEU 170 Cb 0.29 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2b1r h LEU 170 CO -0.00 0.82 0.19 1.56 -0.34 0.00 0.00 178.44 180.67 2b1r h GLN 171 N 0.76 0.37 -0.45 1.25 4.20 -0.59 0.11 115.11 120.77 2b1r h GLN 171 Ca 0.17 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 2b1r h GLN 171 Cb 0.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2b1r h GLN 171 CO -0.00 0.25 0.16 0.37 -0.67 0.00 0.00 178.83 178.94 2b1r h GLN 172 N 0.38 0.68 -0.72 1.46 4.15 -1.02 0.24 115.11 120.28 2b1r h GLN 172 Ca 0.18 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.50 2b1r h GLN 172 Cb 0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 2b1r h GLN 172 CO -0.15 0.64 0.47 1.25 -1.93 0.00 0.00 178.83 179.11 2b1r h HIS 173 N 0.58 0.84 -0.02 3.99 2.76 -0.36 -2.46 115.15 120.48 2b1r h HIS 173 Ca 0.15 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2b1r h HIS 173 Cb 0.22 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2b1r h HIS 173 CO 0.01 0.50 -0.13 1.28 -1.30 0.00 0.00 177.93 178.28 2b1r n LEU 174 N -4.45 2.34 -3.67 0.26 4.77 0.32 -4.96 117.00 111.61 2b1r n LEU 174 Ca 0.09 -0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 55.03 2b1r n LEU 174 Cb 0.12 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 2b1r n LEU 174 CO 0.35 0.40 0.20 0.00 -1.33 0.00 0.00 177.39 177.01 2b1r n ALA 175 N 0.65 -1.36 -2.77 -1.18 0.00 0.68 -4.21 120.51 112.32 2b1r n ALA 175 Ca 0.14 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 2b1r n ALA 175 Cb 0.50 -5.05 -0.10 0.00 0.00 0.00 0.00 19.45 14.80 2b1r n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2b1r s MET 176 N -6.33 3.32 0.47 0.00 1.00 -0.21 -4.69 119.30 112.86 2b1r s MET 176 Ca 0.56 -0.40 -0.13 0.00 0.00 0.00 0.00 55.69 55.73 2b1r s MET 176 Cb -0.26 -2.92 -0.07 0.00 0.00 0.00 0.00 34.83 31.59 2b1r s MET 176 CO 0.76 0.54 0.88 -1.21 0.00 0.00 0.00 175.02 175.99 2b1r s GLU 177 N -0.43 3.82 0.35 2.03 0.41 -1.26 -4.60 118.70 119.02 2b1r s GLU 177 Ca 0.08 0.67 0.04 0.00 -0.41 0.00 0.00 54.97 55.35 2b1r s GLU 177 Cb -0.12 -2.26 0.67 0.00 -1.78 0.00 0.00 34.13 30.63 2b1r s GLU 177 CO 0.02 -0.18 1.97 -1.35 -0.49 0.00 0.00 175.26 175.23 2b1r h PRO 178 N 0.94 0.82 0.00 0.39 0.11 -1.93 0.69 132.00 133.01 2b1r h PRO 178 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2b1r h PRO 178 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2b1r h PRO 178 CO 0.63 0.54 0.00 0.66 -0.21 0.00 0.00 178.00 179.62 2b1r h SER 179 N 0.84 0.00 -0.38 -2.05 4.64 -1.94 -0.81 113.55 113.85 2b1r h SER 179 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2b1r h SER 179 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2b1r h SER 179 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2b1r n GLN 180 N -2.85 2.46 -4.67 4.77 6.02 0.20 -4.90 117.38 118.41 2b1r n GLN 180 Ca -0.01 -2.26 -0.34 0.00 -0.01 0.00 0.00 57.00 54.39 2b1r n GLN 180 Cb 0.18 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.83 2b1r n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2b1r s THR 181 N -1.44 3.56 -0.14 5.09 2.01 -0.31 -1.17 115.64 123.24 2b1r s THR 181 Ca 0.37 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 2b1r s THR 181 Cb 0.22 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.30 2b1r s THR 181 CO 0.30 0.59 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.50 2b1r s LEU 182 N -0.64 1.53 -0.09 4.42 2.96 -0.33 -0.67 118.68 125.85 2b1r s LEU 182 Ca 0.10 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2b1r s LEU 182 Cb -0.11 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 2b1r s LEU 182 CO 0.02 -0.10 0.01 0.68 -1.32 0.00 0.00 176.35 175.64 2b1r s VAL 183 N 1.58 4.41 -0.08 1.68 -7.23 0.32 -1.10 120.40 119.98 2b1r s VAL 183 Ca 0.04 -0.21 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 2b1r s VAL 183 Cb -0.13 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.96 2b1r s VAL 183 CO -0.09 0.60 -0.15 0.00 -0.31 0.00 0.00 175.10 175.15 2b1r s GLY 185 N 0.64 1.08 0.00 0.00 0.00 -0.98 -1.85 107.32 106.22 2b1r s GLY 185 Ca -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.32 2b1r s GLY 185 CO 0.04 -0.84 0.00 2.09 0.00 0.00 0.00 173.10 174.39 2b1r n ASP 186 N -1.02 0.00 -1.56 1.64 5.75 -1.26 -2.29 116.55 117.81 2b1r n ASP 186 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 2b1r n ASP 186 Cb 0.62 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2b1r n ASP 186 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2b1r n SER 187 N 0.00 -0.25 0.28 -1.12 3.41 -1.26 0.41 113.62 115.09 2b1r n SER 187 Ca 0.00 -1.55 0.12 0.00 -0.26 0.00 0.00 58.87 57.18 2b1r n SER 187 Cb 0.00 0.52 0.78 0.00 -0.26 0.00 0.00 64.21 65.25 2b1r n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2b1r h GLY 188 N 0.53 0.00 0.18 5.00 0.00 -1.91 -0.85 103.07 106.02 2b1r h GLY 188 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2b1r h GLY 188 CO 0.09 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.79 2b1r n ASN 189 N -4.17 0.18 -0.00 0.19 0.23 -1.26 -2.80 115.26 107.63 2b1r n ASN 189 Ca -0.03 -1.69 0.04 0.00 -0.53 0.00 0.00 54.58 52.37 2b1r n ASN 189 Cb 0.09 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 37.72 2b1r n ASN 189 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2b1r n ASP 190 N -0.55 0.62 -0.31 0.53 8.00 -0.33 -4.58 116.55 119.93 2b1r n ASP 190 Ca 0.08 -0.67 0.14 0.00 0.71 0.00 0.00 54.79 55.06 2b1r n ASP 190 Cb 0.06 1.03 0.38 0.00 -0.02 0.00 0.00 41.12 42.58 2b1r n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2b1r h ILE 191 N 0.00 0.74 -0.39 0.53 2.04 -1.53 0.33 117.51 119.25 2b1r h ILE 191 Ca 0.00 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2b1r h ILE 191 Cb 0.24 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2b1r h ILE 191 CO 0.00 0.12 0.26 1.23 0.00 0.00 0.00 178.15 179.76 2b1r h GLY 192 N 0.67 0.41 0.95 5.37 0.00 -1.81 -1.47 103.07 107.19 2b1r h GLY 192 Ca 0.52 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 2b1r h GLY 192 CO -0.27 0.11 0.13 1.41 0.00 0.00 0.00 176.54 177.92 2b1r h LEU 193 N 0.35 0.66 -0.35 3.11 3.38 -0.63 -2.67 115.31 119.16 2b1r h LEU 193 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2b1r h LEU 193 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2b1r h LEU 193 CO -0.04 0.70 0.00 0.49 0.09 0.00 0.00 178.44 179.68 2b1r n PHE 194 N -4.54 0.92 0.35 1.13 3.01 -0.68 -2.40 117.46 115.25 2b1r n PHE 194 Ca 0.01 0.31 0.14 0.00 1.01 0.00 0.00 57.45 58.91 2b1r n PHE 194 Cb 0.19 -1.00 0.42 0.00 -0.01 0.00 0.00 39.48 39.08 2b1r n PHE 194 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2b1r h GLU 195 N 0.00 0.00 -7.64 -1.08 5.08 -0.94 -3.45 114.58 106.55 2b1r h GLU 195 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2b1r h GLU 195 Cb 0.57 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.95 2b1r h GLU 195 CO 0.00 0.00 0.38 0.95 -1.00 0.00 0.00 179.01 179.34 2b1r s THR 196 N -3.34 1.98 -2.12 1.13 -4.23 -1.01 -4.96 115.64 103.10 2b1r s THR 196 Ca 0.06 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.85 2b1r s THR 196 Cb 0.08 -2.93 0.74 0.00 1.34 0.00 0.00 72.50 71.74 2b1r s THR 196 CO 0.57 0.00 1.99 -1.20 -0.54 0.00 0.00 174.62 175.45 2b1r n SER 197 N -3.58 0.42 -4.75 3.99 7.64 -1.26 -4.90 113.62 111.17 2b1r n SER 197 Ca 0.10 -1.22 -0.31 0.00 1.01 0.00 0.00 58.87 58.45 2b1r n SER 197 Cb 0.60 -0.01 0.11 0.00 -1.01 0.00 0.00 64.21 63.90 2b1r n SER 197 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b1r s ALA 198 N -1.99 2.05 0.42 -0.43 0.00 -1.26 -4.61 121.76 115.94 2b1r s ALA 198 Ca 0.41 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 2b1r s ALA 198 Cb 0.20 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 2b1r s ALA 198 CO 0.33 -1.95 1.07 1.03 0.00 0.00 0.00 175.76 176.24 2b1r s ARG 199 N -4.90 4.06 0.03 0.00 1.81 0.16 -4.84 118.95 115.27 2b1r s ARG 199 Ca 0.62 1.55 -0.00 0.00 -1.72 0.00 0.00 55.73 56.18 2b1r s ARG 199 Cb -0.18 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 2b1r s ARG 199 CO 0.56 -0.24 -0.03 0.20 -0.68 0.00 0.00 175.30 175.11 2b1r s GLY 200 N -1.56 0.35 -0.06 -3.53 0.00 -0.30 -0.52 107.32 101.70 2b1r s GLY 200 Ca 0.59 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.48 2b1r s GLY 200 CO 0.28 -0.93 -0.09 0.54 0.00 0.00 0.00 173.10 172.90 2b1r s VAL 201 N -2.42 0.94 -0.26 1.40 0.11 -0.11 0.03 120.40 120.09 2b1r s VAL 201 Ca -0.06 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 2b1r s VAL 201 Cb -0.03 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2b1r s VAL 201 CO -0.04 0.32 0.12 -0.63 -3.33 0.00 0.00 175.10 171.53 2b1r s ILE 202 N 0.84 4.75 0.64 7.04 1.01 -0.17 -2.31 121.20 133.01 2b1r s ILE 202 Ca -0.12 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 2b1r s ILE 202 Cb -0.15 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2b1r s ILE 202 CO 0.02 0.31 1.22 0.68 0.00 0.00 0.00 174.94 177.16 2b1r s VAL 203 N 1.62 2.46 0.31 2.92 -7.23 -0.97 -2.03 120.40 117.49 2b1r s VAL 203 Ca 0.07 0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 2b1r s VAL 203 Cb -0.15 -3.02 0.27 0.00 0.56 0.00 0.00 36.38 34.04 2b1r s VAL 203 CO 0.07 -0.08 1.95 -0.09 -0.31 0.00 0.00 175.10 176.63 2b1r h ARG 204 N 0.49 0.97 -0.96 4.82 9.65 -1.50 -1.79 114.38 126.06 2b1r h ARG 204 Ca -0.50 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.24 2b1r h ARG 204 Cb 1.30 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 29.61 2b1r h ARG 204 CO 0.53 0.64 0.11 0.27 2.80 0.00 0.00 179.97 184.33 2b1r n ASN 205 N -4.45 2.85 -4.75 -3.80 6.94 -1.26 -4.95 115.26 105.83 2b1r n ASN 205 Ca 0.11 -2.35 -0.35 0.00 -0.02 0.00 0.00 54.58 51.96 2b1r n ASN 205 Cb 0.13 -0.57 0.05 0.00 -2.36 0.00 0.00 39.78 37.02 2b1r n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2b1r s ALA 206 N -1.07 2.45 0.63 -2.53 0.00 -0.67 -5.00 121.76 115.56 2b1r s ALA 206 Ca 0.15 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 2b1r s ALA 206 Cb 0.12 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2b1r s ALA 206 CO 0.03 -1.32 1.11 -0.65 0.00 0.00 0.00 175.76 174.93 2b1r s GLN 207 N -3.51 2.97 0.23 0.00 -1.52 0.17 -4.87 119.66 113.13 2b1r s GLN 207 Ca 0.76 1.42 -0.07 0.00 -1.95 0.00 0.00 55.36 55.52 2b1r s GLN 207 Cb -0.29 -1.97 0.40 0.00 -0.22 0.00 0.00 33.01 30.92 2b1r s GLN 207 CO 0.36 -1.12 1.67 -1.35 -0.25 0.00 0.00 175.29 174.60 2b1r h PRO 208 N 0.32 0.18 -0.34 2.91 0.11 -1.95 -2.09 132.00 131.15 2b1r h PRO 208 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2b1r h PRO 208 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2b1r h PRO 208 CO 0.55 0.12 0.14 1.05 -0.21 0.00 0.00 178.00 179.65 2b1r h GLU 209 N 0.19 0.48 -0.15 1.05 9.09 -1.94 0.56 114.58 123.85 2b1r h GLU 209 Ca 0.38 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 59.52 2b1r h GLU 209 Cb 0.64 -0.09 0.01 0.00 -1.65 0.00 0.00 28.75 27.66 2b1r h GLU 209 CO -0.54 0.40 -0.76 1.25 0.05 0.00 0.00 179.01 179.42 2b1r h LEU 210 N 0.48 0.93 -0.64 3.06 5.85 -1.67 -1.15 115.31 122.18 2b1r h LEU 210 Ca 0.12 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2b1r h LEU 210 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2b1r h LEU 210 CO -0.01 1.41 0.26 -0.07 -0.34 0.00 0.00 178.44 179.69 2b1r h LEU 211 N 0.52 0.87 -0.76 2.25 3.38 -1.08 -0.36 115.31 120.13 2b1r h LEU 211 Ca -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2b1r h LEU 211 Cb 1.39 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2b1r h LEU 211 CO 0.16 0.80 0.39 -0.74 0.09 0.00 0.00 178.44 179.14 2b1r h HIS 212 N 0.89 1.06 -0.52 1.13 2.76 -0.85 -1.72 115.15 117.91 2b1r h HIS 212 Ca 0.21 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2b1r h HIS 212 Cb 0.20 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 2b1r h HIS 212 CO 0.01 0.77 0.33 2.35 -1.30 0.00 0.00 177.93 180.08 2b1r h TRP 213 N 1.05 0.62 -0.78 5.26 7.01 -0.54 -2.72 115.95 125.85 2b1r h TRP 213 Ca 0.26 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.28 2b1r h TRP 213 Cb 0.08 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2b1r h TRP 213 CO 0.01 0.37 0.51 -0.92 -2.79 0.00 0.00 178.44 175.62 2b1r h TYR 214 N 0.66 1.00 0.00 2.65 5.03 -0.55 0.17 116.97 125.93 2b1r h TYR 214 Ca 0.20 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.52 2b1r h TYR 214 Cb -0.03 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 37.91 2b1r h TYR 214 CO -0.05 0.63 -0.05 -0.44 -1.32 0.00 0.00 178.16 176.93 2b1r h ASP 215 N 1.07 0.00 0.08 -2.11 3.32 -1.02 0.51 116.42 118.26 2b1r h ASP 215 Ca 0.29 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.96 2b1r h ASP 215 Cb -0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2b1r h ASP 215 CO -0.06 0.05 -2.25 0.00 -1.72 0.00 0.00 179.24 175.26 2b1r n GLN 216 N -4.43 0.69 0.00 3.56 6.02 -0.89 -4.65 117.38 117.68 2b1r n GLN 216 Ca -0.03 0.18 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 2b1r n GLN 216 Cb 0.13 -1.61 0.01 0.00 1.02 0.00 0.00 30.24 29.80 2b1r n GLN 216 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2b1r n TRP 217 N -3.28 0.00 -1.66 1.08 7.02 0.55 -5.04 117.44 116.12 2b1r n TRP 217 Ca -0.38 0.00 -0.48 0.00 -1.02 0.00 0.00 57.50 55.62 2b1r n TRP 217 Cb 1.03 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.87 2b1r n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2b1r n GLY 218 N 0.57 1.06 2.10 6.99 0.00 0.18 -4.98 105.19 111.10 2b1r n GLY 218 Ca 0.03 0.73 -0.18 0.00 0.00 0.00 0.00 46.02 46.60 2b1r n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b1r n ASP 219 N 4.08 2.62 0.26 1.61 -0.08 -1.26 -5.00 116.55 118.78 2b1r n ASP 219 Ca 0.19 -2.23 0.12 0.00 -1.51 0.00 0.00 54.79 51.36 2b1r n ASP 219 Cb 0.26 0.15 0.71 0.00 2.34 0.00 0.00 41.12 44.58 2b1r n ASP 219 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2b1r h SER 220 N 0.62 0.00 0.92 1.67 4.64 -2.03 -2.02 113.55 117.36 2b1r h SER 220 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2b1r h SER 220 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2b1r h SER 220 CO 0.38 0.12 0.00 -2.11 -0.87 0.00 0.00 176.83 174.35 2b1r n ARG 221 N -3.77 0.02 -3.59 4.77 1.85 -1.26 -4.76 116.66 109.93 2b1r n ARG 221 Ca -0.02 0.08 -0.36 0.00 -1.00 0.00 0.00 57.85 56.54 2b1r n ARG 221 Cb 0.22 -1.53 -0.07 0.00 -1.05 0.00 0.00 32.46 30.03 2b1r n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2b1r s HIS 222 N -3.01 3.49 -0.14 2.89 3.76 -0.76 -1.15 115.29 120.36 2b1r s HIS 222 Ca 0.12 0.59 0.02 0.00 -0.15 0.00 0.00 55.06 55.64 2b1r s HIS 222 Cb 0.16 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2b1r s HIS 222 CO 0.48 0.32 -0.19 -0.47 -0.85 0.00 0.00 174.74 174.02 2b1r s TYR 223 N 0.20 2.46 -0.66 1.40 6.14 0.10 -4.79 117.35 122.20 2b1r s TYR 223 Ca 0.16 -1.27 -0.23 0.00 0.64 0.00 0.00 57.07 56.37 2b1r s TYR 223 Cb -0.13 -1.71 0.07 0.00 0.42 0.00 0.00 41.96 40.61 2b1r s TYR 223 CO 0.04 -0.61 0.99 1.03 0.64 0.00 0.00 175.55 177.64 2b1r s ARG 224 N 0.98 3.13 0.49 4.97 1.81 -1.26 -1.00 118.95 128.06 2b1r s ARG 224 Ca -0.04 -0.76 -0.21 0.00 -1.72 0.00 0.00 55.73 53.01 2b1r s ARG 224 Cb -0.15 -4.22 -0.08 0.00 -0.45 0.00 0.00 34.95 30.06 2b1r s ARG 224 CO -0.04 -1.83 1.07 0.00 -0.68 0.00 0.00 175.30 173.81 2b1r s ALA 225 N 4.21 2.86 0.04 2.13 0.00 -0.86 -4.96 121.76 125.18 2b1r s ALA 225 Ca 0.24 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.92 2b1r s ALA 225 Cb -0.16 -3.29 -0.24 0.00 0.00 0.00 0.00 23.12 19.43 2b1r s ALA 225 CO 0.11 -0.44 0.98 1.96 0.00 0.00 0.00 175.76 178.38 2b1r h GLN 226 N 1.60 0.11 -7.14 0.00 4.20 -1.95 -3.29 115.11 108.63 2b1r h GLN 226 Ca -0.49 -0.20 -0.47 0.00 0.06 0.00 0.00 58.65 57.55 2b1r h GLN 226 Cb 1.23 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.09 2b1r h GLN 226 CO 0.59 0.96 0.34 -1.12 -0.67 0.00 0.00 178.83 178.93 2b1r s SER 227 N -6.72 6.66 0.31 1.46 0.01 -1.26 -4.73 113.70 109.43 2b1r s SER 227 Ca -0.04 1.54 0.08 0.00 1.31 0.00 0.00 55.95 58.84 2b1r s SER 227 Cb 0.08 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2b1r s SER 227 CO 0.84 -0.54 0.21 -0.94 0.41 0.00 0.00 173.24 173.22 2b1r s SER 228 N -2.95 5.17 0.67 2.44 1.04 -1.26 -2.11 113.70 116.69 2b1r s SER 228 Ca 0.59 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2b1r s SER 228 Cb -0.10 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2b1r s SER 228 CO 0.29 -0.23 0.00 1.41 0.98 0.00 0.00 173.24 175.69 2b1r n HIS 229 N -1.24 0.00 0.12 5.02 8.25 -1.26 -2.29 115.22 123.82 2b1r n HIS 229 Ca -0.04 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.59 2b1r n HIS 229 Cb 0.59 0.05 0.73 0.00 1.12 0.00 0.00 29.99 32.48 2b1r n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b1r h ALA 230 N -0.67 2.15 -0.02 -1.41 0.00 -1.18 -1.25 119.26 116.87 2b1r h ALA 230 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2b1r h ALA 230 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2b1r h ALA 230 CO 0.00 -0.42 -0.02 0.78 0.00 0.00 0.00 179.25 179.60 2b1r h GLY 231 N 0.00 0.04 2.00 0.00 0.00 -1.71 -0.98 103.07 102.41 2b1r h GLY 231 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2b1r h GLY 231 CO -0.00 0.01 -0.32 0.00 0.00 0.00 0.00 176.54 176.23 2b1r h ALA 232 N 1.95 1.36 -0.18 3.60 0.00 -1.26 -1.52 119.26 123.22 2b1r h ALA 232 Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2b1r h ALA 232 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b1r h ALA 232 CO 0.00 0.40 -0.29 0.82 0.00 0.00 0.00 179.25 180.19 2b1r h ILE 233 N 0.00 1.34 -0.49 0.00 2.04 -1.30 0.06 117.51 119.16 2b1r h ILE 233 Ca -0.00 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 2b1r h ILE 233 Cb 0.61 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2b1r h ILE 233 CO 0.04 0.46 0.15 -0.07 0.00 0.00 0.00 178.15 178.73 2b1r h LEU 234 N 0.18 0.72 -0.65 1.44 3.38 -1.38 -0.48 115.31 118.51 2b1r h LEU 234 Ca 0.02 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2b1r h LEU 234 Cb 0.87 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2b1r h LEU 234 CO 0.07 0.73 0.39 -0.08 0.09 0.00 0.00 178.44 179.64 2b1r h GLU 235 N 0.66 0.74 -0.54 1.13 4.81 -1.21 -1.96 114.58 118.21 2b1r h GLU 235 Ca 0.16 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2b1r h GLU 235 Cb 0.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2b1r h GLU 235 CO -0.01 0.49 -0.08 0.00 -0.73 0.00 0.00 179.01 178.68 2b1r h ALA 236 N 1.30 0.74 -0.95 2.92 0.00 -0.62 -0.46 119.26 122.19 2b1r h ALA 236 Ca 0.27 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2b1r h ALA 236 Cb 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2b1r h ALA 236 CO -0.12 0.63 0.62 0.82 0.00 0.00 0.00 179.25 181.20 2b1r h ILE 237 N 0.88 1.15 -0.25 0.00 2.04 -0.68 0.35 117.51 121.01 2b1r h ILE 237 Ca 0.14 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 2b1r h ILE 237 Cb 0.64 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2b1r h ILE 237 CO 0.04 0.22 -0.44 0.00 0.00 0.00 0.00 178.15 177.97 2b1r h ALA 238 N 1.40 0.39 -0.06 1.87 0.00 -1.13 0.03 119.26 121.76 2b1r h ALA 238 Ca 0.38 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2b1r h ALA 238 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2b1r h ALA 238 CO -0.13 0.53 -0.02 1.25 0.00 0.00 0.00 179.25 180.88 2b1r h HIS 239 N 0.48 -0.05 -0.05 0.00 -0.00 -0.40 -2.23 115.15 112.90 2b1r h HIS 239 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2b1r h HIS 239 Cb 1.04 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2b1r h HIS 239 CO 0.08 -0.04 0.00 1.19 -0.00 0.00 0.00 177.93 179.16 2b1r n PHE 240 N -5.13 0.06 -3.69 5.26 3.01 0.05 -4.92 117.46 112.10 2b1r n PHE 240 Ca -0.06 -0.03 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 2b1r n PHE 240 Cb 0.07 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.60 2b1r n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2b1r n ASP 241 N -0.40 -4.27 -4.88 4.37 2.03 -0.78 -4.98 116.55 107.64 2b1r n ASP 241 Ca 0.17 -0.68 -0.30 0.00 0.52 0.00 0.00 54.79 54.50 2b1r n ASP 241 Cb 0.18 -4.53 -0.01 0.00 -0.72 0.00 0.00 41.12 36.04 2b1r n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2b1r s PHE 242 N -3.38 3.54 -1.46 -0.67 0.08 -0.07 -4.00 117.98 112.01 2b1r s PHE 242 Ca 0.41 1.09 -0.10 0.00 0.12 0.00 0.00 56.93 58.45 2b1r s PHE 242 Cb -0.19 -2.51 0.06 0.00 -0.57 0.00 0.00 43.02 39.80 2b1r s PHE 242 CO 0.77 -0.34 0.96 1.28 -0.10 0.00 0.00 175.22 177.80 2b1r n LEU 243 N -1.99 -2.82 0.00 -0.37 4.77 -1.26 -4.79 117.00 110.53 2b1r n LEU 243 Ca 0.03 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2b1r n LEU 243 Cb 0.54 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 2b1r n LEU 243 CO 0.52 0.49 0.09 -1.20 -1.33 0.00 0.00 177.39 175.95