#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g9h s ASP 2 N 0.00 6.31 -0.28 1.61 2.15 -1.26 -4.86 116.67 120.33 2g9h s ASP 2 Ca 0.00 -1.71 0.09 0.00 0.43 0.00 0.00 52.55 51.36 2g9h s ASP 2 Cb 0.00 -2.29 0.51 0.00 -0.30 0.00 0.00 42.92 40.84 2g9h s ASP 2 CO 0.00 -1.01 1.46 0.35 -0.17 0.00 0.00 175.17 175.80 2g9h n THR 3 N 5.29 2.54 -2.20 1.71 -2.24 -1.26 -5.03 114.28 113.09 2g9h n THR 3 Ca -0.03 -2.69 -0.41 0.00 -2.27 0.00 0.00 64.05 58.65 2g9h n THR 3 Cb 0.43 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 2g9h n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2g9h s ARG 4 N -3.22 4.40 0.56 -0.78 0.52 -1.26 -4.98 118.95 114.19 2g9h s ARG 4 Ca 0.44 2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 57.56 2g9h s ARG 4 Cb 0.40 -3.14 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 2g9h s ARG 4 CO 0.00 -0.17 0.90 -0.35 0.02 0.00 0.00 175.30 175.70 2g9h n PRO 5 N 1.67 0.93 -4.37 3.54 -0.04 -1.26 -5.01 135.00 130.46 2g9h n PRO 5 Ca 0.03 0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 2g9h n PRO 5 Cb 0.42 -2.06 -0.12 0.00 -0.04 0.00 0.00 33.50 31.71 2g9h n PRO 5 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2g9h s ARG 6 N -2.49 1.84 -0.05 0.54 3.00 -1.26 -5.12 118.95 115.41 2g9h s ARG 6 Ca 0.72 -1.14 0.01 0.00 0.00 0.00 0.00 55.73 55.32 2g9h s ARG 6 Cb -0.45 -2.13 0.02 0.00 0.00 0.00 0.00 34.95 32.39 2g9h s ARG 6 CO 0.50 0.49 -0.08 -0.06 0.00 0.00 0.00 175.30 176.16 2g9h s PHE 7 N -1.10 1.05 -0.03 -0.53 0.40 -1.26 -5.07 117.98 111.43 2g9h s PHE 7 Ca 0.17 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 2g9h s PHE 7 Cb -0.11 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.58 2g9h s PHE 7 CO 0.09 -0.23 -0.14 -1.17 0.70 0.00 0.00 175.22 174.47 2g9h s LEU 8 N 0.83 1.87 -0.15 -0.37 2.96 -1.26 -5.02 118.68 117.54 2g9h s LEU 8 Ca -0.12 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2g9h s LEU 8 Cb -0.15 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.77 2g9h s LEU 8 CO 0.01 0.12 -0.17 0.86 -1.32 0.00 0.00 176.35 175.85 2g9h s TRP 9 N 0.08 2.34 -0.03 5.38 -0.00 -1.26 -0.77 118.94 124.68 2g9h s TRP 9 Ca -0.03 -1.27 0.06 0.00 -0.00 0.00 0.00 56.10 54.86 2g9h s TRP 9 Cb -0.10 -1.66 -0.02 0.00 -0.00 0.00 0.00 33.47 31.68 2g9h s TRP 9 CO 0.01 -0.65 -0.20 -0.65 -0.00 0.00 0.00 176.95 175.46 2g9h s GLN 10 N 1.24 2.29 -0.02 5.86 -0.21 0.10 -5.00 119.66 123.92 2g9h s GLN 10 Ca 0.01 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.63 2g9h s GLN 10 Cb -0.14 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.65 2g9h s GLN 10 CO -0.08 0.59 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.96 2g9h s LEU 11 N -0.70 2.03 -0.04 2.90 2.01 -1.26 -1.14 118.68 122.47 2g9h s LEU 11 Ca 0.11 -0.39 -0.00 0.00 0.01 0.00 0.00 54.13 53.86 2g9h s LEU 11 Cb -0.10 -1.09 0.03 0.00 0.01 0.00 0.00 46.19 45.03 2g9h s LEU 11 CO -0.00 0.25 0.01 -0.54 1.01 0.00 0.00 176.35 177.08 2g9h s LYS 12 N -0.41 0.35 -0.27 1.70 1.02 -0.91 -5.02 119.74 116.19 2g9h s LYS 12 Ca 0.06 0.13 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 2g9h s LYS 12 Cb -0.09 -0.64 0.03 0.00 -0.52 0.00 0.00 37.83 36.61 2g9h s LYS 12 CO -0.00 -0.21 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.12 2g9h s PHE 13 N 1.49 3.13 -0.14 3.18 0.08 -1.26 -0.54 117.98 123.93 2g9h s PHE 13 Ca -0.03 -1.60 -0.01 0.00 0.12 0.00 0.00 56.93 55.41 2g9h s PHE 13 Cb -0.13 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2g9h s PHE 13 CO -0.03 -0.74 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.03 2g9h s GLU 14 N 1.32 3.43 -0.30 0.44 2.02 0.77 -4.97 118.70 121.40 2g9h s GLU 14 Ca -0.01 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 2g9h s GLU 14 Cb -0.18 -2.68 0.02 0.00 0.10 0.00 0.00 34.13 31.40 2g9h s GLU 14 CO -0.03 0.21 0.05 0.00 0.02 0.00 0.00 175.26 175.51 2g9h s HIS 16 N 1.42 3.22 -0.12 0.00 3.76 0.78 -4.96 115.29 119.39 2g9h s HIS 16 Ca 0.00 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.95 2g9h s HIS 16 Cb -0.18 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 2g9h s HIS 16 CO 0.01 -0.11 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.67 2g9h s PHE 17 N 1.43 2.96 -0.11 1.40 0.40 -1.26 -0.96 117.98 121.84 2g9h s PHE 17 Ca 0.07 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 2g9h s PHE 17 Cb -0.15 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2g9h s PHE 17 CO 0.07 0.09 -0.11 -0.06 0.70 0.00 0.00 175.22 175.92 2g9h s PHE 18 N -0.12 1.69 -1.03 0.36 0.40 0.26 -4.81 117.98 114.72 2g9h s PHE 18 Ca 0.02 -0.84 -0.06 0.00 -0.60 0.00 0.00 56.93 55.44 2g9h s PHE 18 Cb -0.13 -1.31 -0.06 0.00 0.51 0.00 0.00 43.02 42.02 2g9h s PHE 18 CO 0.03 -0.51 0.90 -1.71 0.70 0.00 0.00 175.22 174.62 2g9h n ASN 19 N 4.66 -6.70 0.00 1.36 5.15 -1.26 -1.82 115.26 116.65 2g9h n ASN 19 Ca -0.16 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 2g9h n ASN 19 Cb 0.50 -5.15 0.00 0.00 -0.53 0.00 0.00 39.78 34.61 2g9h n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g9h n GLY 20 N -1.29 2.58 0.96 8.20 0.00 -1.26 -2.44 105.19 111.93 2g9h n GLY 20 Ca -0.07 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.67 2g9h n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g9h n THR 21 N 0.00 0.74 0.03 2.61 -2.24 -1.26 -4.49 114.28 109.67 2g9h n THR 21 Ca 0.00 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 2g9h n THR 21 Cb 0.00 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 2g9h n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2g9h h GLU 22 N 2.93 -0.25 -4.97 -0.78 4.81 -1.57 -3.40 114.58 111.34 2g9h h GLU 22 Ca 0.00 0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.63 2g9h h GLU 22 Cb 0.72 0.06 -0.34 0.00 0.63 0.00 0.00 28.75 29.82 2g9h h GLU 22 CO 0.02 -0.17 -0.85 0.50 -0.73 0.00 0.00 179.01 177.78 2g9h s ARG 23 N -6.12 2.51 -0.01 1.92 3.52 -0.76 -5.03 118.95 114.98 2g9h s ARG 23 Ca -0.15 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2g9h s ARG 23 Cb 0.09 -2.01 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 2g9h s ARG 23 CO 0.67 0.04 -0.13 0.08 -0.81 0.00 0.00 175.30 175.16 2g9h s VAL 24 N 0.68 1.00 -0.08 7.11 1.01 -1.26 -0.58 120.40 128.29 2g9h s VAL 24 Ca -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2g9h s VAL 24 Cb -0.16 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2g9h s VAL 24 CO 0.03 0.29 -0.11 -0.60 0.00 0.00 0.00 175.10 174.71 2g9h s ARG 25 N -0.22 1.65 -0.18 2.72 3.52 -0.14 -4.97 118.95 121.34 2g9h s ARG 25 Ca 0.03 -0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2g9h s ARG 25 Cb -0.06 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 31.84 2g9h s ARG 25 CO -0.00 -0.05 0.06 -1.17 -0.81 0.00 0.00 175.30 173.32 2g9h s LEU 26 N 0.94 3.78 -0.23 -0.88 2.96 -1.26 -0.16 118.68 123.83 2g9h s LEU 26 Ca -0.09 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2g9h s LEU 26 Cb -0.15 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.65 2g9h s LEU 26 CO 0.00 0.17 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.95 2g9h s LEU 27 N 0.37 2.35 -0.26 -0.68 2.96 0.06 -0.82 118.68 122.66 2g9h s LEU 27 Ca 0.03 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.71 2g9h s LEU 27 Cb -0.12 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2g9h s LEU 27 CO 0.00 -0.25 0.16 -0.70 -1.32 0.00 0.00 176.35 174.25 2g9h s GLU 28 N 1.47 3.95 -0.03 1.98 2.12 0.12 -0.17 118.70 128.14 2g9h s GLU 28 Ca -0.05 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 54.99 2g9h s GLU 28 Cb -0.19 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 2g9h s GLU 28 CO -0.06 -0.08 -0.14 1.03 -0.54 0.00 0.00 175.26 175.46 2g9h s ARG 29 N 1.45 1.43 -0.15 4.30 0.52 0.30 -0.49 118.95 126.31 2g9h s ARG 29 Ca 0.07 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2g9h s ARG 29 Cb -0.15 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.02 2g9h s ARG 29 CO 0.08 0.21 -0.08 0.00 0.02 0.00 0.00 175.30 175.52 2g9h s ILE 31 N 0.44 0.56 -0.21 0.00 1.01 -0.29 0.14 121.20 122.85 2g9h s ILE 31 Ca -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 2g9h s ILE 31 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 2g9h s ILE 31 CO 0.04 0.00 -0.01 -0.47 0.00 0.00 0.00 174.94 174.50 2g9h s TYR 32 N 1.87 3.01 -1.53 3.97 5.04 0.22 0.01 117.35 129.92 2g9h s TYR 32 Ca 0.01 -0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 53.90 2g9h s TYR 32 Cb -0.15 -2.10 0.08 0.00 0.35 0.00 0.00 41.96 40.14 2g9h s TYR 32 CO -0.07 -0.36 0.80 0.09 -1.34 0.00 0.00 175.55 174.67 2g9h n ASN 33 N 4.50 -3.17 0.00 4.32 3.02 0.05 -1.23 115.26 122.75 2g9h n ASN 33 Ca -0.17 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 2g9h n ASN 33 Cb 0.51 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 2g9h n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2g9h n GLN 34 N -4.50 -0.36 -4.16 3.52 7.27 -1.26 -5.01 117.38 112.88 2g9h n GLN 34 Ca -0.05 0.09 -0.33 0.00 0.07 0.00 0.00 57.00 56.78 2g9h n GLN 34 Cb 0.56 -3.35 -0.16 0.00 2.41 0.00 0.00 30.24 29.70 2g9h n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2g9h s GLU 35 N -0.42 3.04 0.06 3.69 2.12 -0.37 -5.08 118.70 121.74 2g9h s GLU 35 Ca 0.00 -0.81 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 2g9h s GLU 35 Cb 0.00 -2.60 -0.07 0.00 0.26 0.00 0.00 34.13 31.72 2g9h s GLU 35 CO 0.00 -0.18 1.49 -2.00 -0.54 0.00 0.00 175.26 174.03 2g9h s GLU 36 N 1.25 4.26 -0.21 4.30 2.12 -1.26 -0.61 118.70 128.55 2g9h s GLU 36 Ca 0.04 2.14 0.04 0.00 0.36 0.00 0.00 54.97 57.54 2g9h s GLU 36 Cb -0.13 -3.47 -0.15 0.00 0.26 0.00 0.00 34.13 30.64 2g9h s GLU 36 CO -0.11 -0.60 -0.15 -1.13 -0.54 0.00 0.00 175.26 172.73 2g9h n SER 37 N 5.00 2.13 -3.75 -1.70 3.41 0.12 -4.06 113.62 114.78 2g9h n SER 37 Ca 0.14 -0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 2g9h n SER 37 Cb 0.42 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 2g9h n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2g9h s VAL 38 N -2.42 0.05 0.01 -3.33 0.11 -1.22 0.62 120.40 114.22 2g9h s VAL 38 Ca -0.26 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 58.33 2g9h s VAL 38 Cb 0.07 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2g9h s VAL 38 CO 0.52 -0.21 0.16 0.00 -3.33 0.00 0.00 175.10 172.24 2g9h s ARG 39 N -1.05 0.56 -0.19 1.54 1.70 -0.75 -1.21 118.95 119.54 2g9h s ARG 39 Ca -0.11 -0.47 -0.07 0.00 -0.47 0.00 0.00 55.73 54.60 2g9h s ARG 39 Cb -0.05 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 2g9h s ARG 39 CO 0.04 -0.14 0.06 0.12 -1.08 0.00 0.00 175.30 174.29 2g9h s PHE 40 N -1.77 3.20 -0.15 5.89 5.36 0.36 -1.20 117.98 129.68 2g9h s PHE 40 Ca -0.12 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.83 2g9h s PHE 40 Cb -0.05 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.54 2g9h s PHE 40 CO 0.00 0.04 -0.19 0.34 -1.46 0.00 0.00 175.22 173.96 2g9h s ASP 41 N 0.62 2.90 0.59 6.13 -1.08 -1.26 0.11 116.67 124.68 2g9h s ASP 41 Ca 0.03 -0.56 0.33 0.00 -0.52 0.00 0.00 52.55 51.83 2g9h s ASP 41 Cb -0.13 -1.33 1.86 0.00 -1.46 0.00 0.00 42.92 41.85 2g9h s ASP 41 CO 0.02 0.02 2.23 0.77 0.52 0.00 0.00 175.17 178.72 2g9h h SER 42 N 7.66 0.00 0.90 -0.34 4.64 -1.35 0.80 113.55 125.87 2g9h h SER 42 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2g9h h SER 42 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2g9h h SER 42 CO 0.56 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 177.02 2g9h n ASP 43 N -3.57 0.38 -0.13 4.97 8.00 -1.26 -3.57 116.55 121.37 2g9h n ASP 43 Ca -0.03 0.57 -0.24 0.00 0.71 0.00 0.00 54.79 55.80 2g9h n ASP 43 Cb 0.13 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 2g9h n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2g9h n VAL 44 N -1.89 1.39 -0.15 2.53 0.31 0.14 -5.04 118.33 115.62 2g9h n VAL 44 Ca 0.04 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2g9h n VAL 44 Cb 0.29 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2g9h n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2g9h n GLY 45 N 1.73 0.84 3.75 2.92 0.00 -0.39 -5.05 105.19 108.98 2g9h n GLY 45 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2g9h n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2g9h s GLU 46 N -0.85 1.74 0.45 1.61 -1.05 -1.26 -5.02 118.70 114.32 2g9h s GLU 46 Ca 0.00 -1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 53.46 2g9h s GLU 46 Cb 0.00 0.56 -0.08 0.00 -0.44 0.00 0.00 34.13 34.17 2g9h s GLU 46 CO 0.00 -0.77 1.08 0.71 0.95 0.00 0.00 175.26 177.23 2g9h s TYR 47 N -3.81 3.04 -0.04 4.83 2.02 -1.26 -4.04 117.35 118.10 2g9h s TYR 47 Ca 0.16 1.59 -0.02 0.00 -0.37 0.00 0.00 57.07 58.43 2g9h s TYR 47 Cb -0.04 -3.18 0.02 0.00 -0.40 0.00 0.00 41.96 38.36 2g9h s TYR 47 CO 0.08 -0.97 0.09 1.03 -1.57 0.00 0.00 175.55 174.21 2g9h s ARG 48 N -2.83 0.07 0.22 -0.62 1.81 -0.34 -4.91 118.95 112.36 2g9h s ARG 48 Ca 0.63 0.19 -0.30 0.00 -1.72 0.00 0.00 55.73 54.53 2g9h s ARG 48 Cb -0.22 -0.06 -0.09 0.00 -0.45 0.00 0.00 34.95 34.13 2g9h s ARG 48 CO 0.27 -0.07 1.28 0.00 -0.68 0.00 0.00 175.30 176.09 2g9h s ALA 49 N 0.48 3.50 -0.18 2.13 0.00 -1.26 -1.80 121.76 124.63 2g9h s ALA 49 Ca -0.04 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.09 2g9h s ALA 49 Cb -0.05 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.39 2g9h s ALA 49 CO -0.02 -0.50 0.12 0.28 0.00 0.00 0.00 175.76 175.64 2g9h n VAL 50 N 2.24 1.53 -4.41 0.00 0.31 0.20 -4.92 118.33 113.27 2g9h n VAL 50 Ca 0.04 -0.71 -0.20 0.00 -0.01 0.00 0.00 64.34 63.46 2g9h n VAL 50 Cb 0.43 -1.11 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 2g9h n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2g9h s THR 51 N -2.53 1.37 0.53 2.52 -4.23 -0.85 -4.97 115.64 107.48 2g9h s THR 51 Ca -0.20 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 58.44 2g9h s THR 51 Cb 0.07 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.70 2g9h s THR 51 CO 0.74 -0.22 2.11 -0.08 -0.54 0.00 0.00 174.62 176.63 2g9h h GLU 52 N 2.27 0.00 0.00 3.99 4.57 -1.93 -2.11 114.58 121.37 2g9h h GLU 52 Ca -0.40 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2g9h h GLU 52 Cb 1.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2g9h h GLU 52 CO 0.68 0.00 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.37 2g9h h LEU 53 N 0.00 0.00 -1.45 1.64 3.38 -1.97 -2.64 115.31 114.28 2g9h h LEU 53 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2g9h h LEU 53 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2g9h h LEU 53 CO -0.00 0.06 -0.14 0.61 0.09 0.00 0.00 178.44 179.06 2g9h n GLY 54 N -1.15 0.49 0.30 0.83 0.00 -0.80 -4.46 105.19 100.40 2g9h n GLY 54 Ca -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 2g9h n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2g9h h ARG 55 N 3.53 0.93 -0.75 1.61 2.43 -1.48 -2.12 114.38 118.53 2g9h h ARG 55 Ca 0.00 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2g9h h ARG 55 Cb 0.83 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2g9h h ARG 55 CO 0.00 0.62 0.49 -1.35 -1.51 0.00 0.00 179.97 178.22 2g9h h PRO 56 N 0.96 0.82 -0.15 0.20 0.11 -1.78 -2.65 132.00 129.50 2g9h h PRO 56 Ca 0.33 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 2g9h h PRO 56 Cb 0.06 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 2g9h h PRO 56 CO -0.13 0.54 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.56 2g9h h ASP 57 N 0.84 0.44 -0.16 -2.05 3.32 -1.73 -1.45 116.42 115.63 2g9h h ASP 57 Ca 0.32 -0.51 0.05 0.00 0.02 0.00 0.00 57.03 56.91 2g9h h ASP 57 Cb 0.18 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2g9h h ASP 57 CO -0.10 0.86 -0.17 0.00 -1.72 0.00 0.00 179.24 178.11 2g9h h ALA 58 N 0.59 -0.07 -0.44 3.45 0.00 -1.37 -0.03 119.26 121.39 2g9h h ALA 58 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2g9h h ALA 58 Cb 0.75 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2g9h h ALA 58 CO 0.05 -0.61 0.24 0.93 0.00 0.00 0.00 179.25 179.86 2g9h h GLU 59 N -0.19 0.46 0.77 0.00 5.08 -1.48 -0.66 114.58 118.56 2g9h h GLU 59 Ca 0.11 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2g9h h GLU 59 Cb 0.35 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2g9h h GLU 59 CO -0.28 0.31 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.75 2g9h h TYR 60 N 0.48 -0.96 -0.57 4.33 3.20 -1.10 -3.21 116.97 119.15 2g9h h TYR 60 Ca 0.18 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2g9h h TYR 60 Cb 0.06 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2g9h h TYR 60 CO -0.09 -0.58 0.26 -1.49 -1.64 0.00 0.00 178.16 174.62 2g9h h TRP 61 N -1.11 0.79 0.00 -3.82 6.55 -0.97 -2.19 115.95 115.21 2g9h h TRP 61 Ca -0.11 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.71 2g9h h TRP 61 Cb 0.81 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.86 2g9h h TRP 61 CO -0.01 0.59 0.00 -0.91 -1.05 0.00 0.00 178.44 177.06 2g9h h ASN 62 N 0.80 0.00 0.46 -3.49 2.35 -1.18 -1.78 115.58 112.74 2g9h h ASN 62 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2g9h h ASN 62 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2g9h h ASN 62 CO -0.02 0.00 -0.65 -1.54 -1.65 0.00 0.00 177.43 173.57 2g9h n SER 63 N -2.56 0.60 -4.43 5.81 3.41 -0.82 -4.71 113.62 110.91 2g9h n SER 63 Ca -0.01 -0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.86 2g9h n SER 63 Cb 0.13 0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2g9h n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2g9h s GLN 64 N -3.04 3.10 0.22 4.33 -1.52 -0.67 -4.93 119.66 117.15 2g9h s GLN 64 Ca 0.09 -0.97 0.05 0.00 -1.95 0.00 0.00 55.36 52.58 2g9h s GLN 64 Cb 0.16 -4.25 0.20 0.00 -0.22 0.00 0.00 33.01 28.91 2g9h s GLN 64 CO 0.74 -1.75 1.52 0.87 -0.25 0.00 0.00 175.29 176.42 2g9h h LYS 65 N 9.46 0.17 -0.55 2.91 1.57 -1.84 -2.52 116.57 125.78 2g9h h LYS 65 Ca -0.28 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 2g9h h LYS 65 Cb 1.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2g9h h LYS 65 CO 1.16 0.78 0.07 -0.44 -0.57 0.00 0.00 179.45 180.45 2g9h h ASP 66 N 0.12 0.84 -0.11 0.86 5.19 -1.96 -2.25 116.42 119.12 2g9h h ASP 66 Ca -0.01 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2g9h h ASP 66 Cb 1.21 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 2g9h h ASP 66 CO 0.10 0.87 0.01 0.25 -3.12 0.00 0.00 179.24 177.34 2g9h h LEU 67 N 0.84 0.18 -1.29 1.55 5.85 -1.87 -1.56 115.31 119.00 2g9h h LEU 67 Ca 0.17 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2g9h h LEU 67 Cb 0.40 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2g9h h LEU 67 CO 0.01 0.42 0.05 -0.07 -0.34 0.00 0.00 178.44 178.52 2g9h h LEU 68 N -0.07 0.49 -0.48 2.25 3.38 -1.47 -1.62 115.31 117.79 2g9h h LEU 68 Ca 0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2g9h h LEU 68 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2g9h h LEU 68 CO 0.00 0.52 0.02 -0.08 0.09 0.00 0.00 178.44 178.99 2g9h h GLU 69 N 0.52 0.84 -0.43 1.13 4.81 -1.32 -1.88 114.58 118.25 2g9h h GLU 69 Ca 0.12 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2g9h h GLU 69 Cb 0.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2g9h h GLU 69 CO 0.00 0.88 0.16 0.37 -0.73 0.00 0.00 179.01 179.68 2g9h h GLN 70 N 0.70 0.65 -0.26 1.92 -0.00 -0.93 -2.10 115.11 115.09 2g9h h GLN 70 Ca 0.14 -0.13 -0.06 0.00 -0.00 0.00 0.00 58.65 58.60 2g9h h GLN 70 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 2g9h h GLN 70 CO 0.02 0.62 -0.09 0.00 0.00 0.00 0.00 178.83 179.38 2g9h h ARG 71 N 0.55 0.42 -0.09 1.69 -0.00 -1.22 -0.68 114.38 115.05 2g9h h ARG 71 Ca 0.14 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.98 59.35 2g9h h ARG 71 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2g9h h ARG 71 CO -0.01 0.52 -0.66 0.00 0.00 0.00 0.00 179.97 179.82 2g9h h ARG 72 N 0.39 0.36 0.00 0.04 3.08 -1.21 -3.00 114.38 114.04 2g9h h ARG 72 Ca 0.08 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2g9h h ARG 72 Cb 0.41 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2g9h h ARG 72 CO 0.02 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 2g9h h ALA 73 N 1.03 1.00 0.00 0.04 0.00 -1.06 -3.34 119.26 116.94 2g9h h ALA 73 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2g9h h ALA 73 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2g9h h ALA 73 CO 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 2g9h h ALA 74 N 2.22 1.18 0.00 0.00 0.00 -0.98 -1.54 119.26 120.14 2g9h h ALA 74 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2g9h h ALA 74 Cb 0.77 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2g9h h ALA 74 CO 0.00 0.04 -0.09 -0.39 0.00 0.00 0.00 179.25 178.82 2g9h h VAL 75 N 0.00 0.83 0.00 0.00 -1.51 -1.73 -0.18 116.25 113.65 2g9h h VAL 75 Ca -0.00 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 65.11 2g9h h VAL 75 Cb 0.18 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2g9h h VAL 75 CO 0.00 0.08 -0.81 0.47 -1.23 0.00 0.00 177.57 176.09 2g9h n ASP 76 N -4.10 1.86 0.22 4.19 8.00 -0.67 -1.26 116.55 124.80 2g9h n ASP 76 Ca -0.03 0.51 0.15 0.00 0.71 0.00 0.00 54.79 56.13 2g9h n ASP 76 Cb 0.17 -0.83 0.64 0.00 -0.02 0.00 0.00 41.12 41.08 2g9h n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2g9h h THR 77 N -1.00 0.00 0.00 -3.53 1.35 -1.39 -1.15 112.91 107.19 2g9h h THR 77 Ca -0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2g9h h THR 77 Cb 0.77 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2g9h h THR 77 CO -0.03 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.21 2g9h n TYR 78 N -2.71 0.00 0.31 4.73 9.36 -0.47 -4.50 117.16 123.88 2g9h n TYR 78 Ca 0.01 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.11 2g9h n TYR 78 Cb 0.25 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.89 2g9h n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2g9h h ARG 80 N -0.94 0.35 0.69 0.00 3.08 -1.18 -2.07 114.38 114.31 2g9h h ARG 80 Ca -0.08 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2g9h h ARG 80 Cb 0.62 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.60 2g9h h ARG 80 CO 0.14 0.25 -0.33 1.25 -1.07 0.00 0.00 179.97 180.20 2g9h h HIS 81 N 0.36 -0.86 -0.63 3.04 2.76 -1.13 -2.15 115.15 116.54 2g9h h HIS 81 Ca 0.09 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.16 2g9h h HIS 81 Cb -0.01 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2g9h h HIS 81 CO 0.00 -0.53 0.06 -0.91 -1.30 0.00 0.00 177.93 175.25 2g9h h ASN 82 N -0.94 1.04 -0.54 3.26 2.35 -0.74 -0.93 115.58 119.06 2g9h h ASN 82 Ca -0.09 -0.28 0.09 0.00 -0.55 0.00 0.00 56.30 55.46 2g9h h ASN 82 Cb 0.72 -0.28 -0.10 0.00 0.05 0.00 0.00 38.32 38.70 2g9h h ASN 82 CO 0.16 1.06 -0.41 0.22 -1.65 0.00 0.00 177.43 176.81 2g9h h TYR 83 N 0.98 -1.17 -0.35 1.19 5.03 -1.43 -1.31 116.97 119.91 2g9h h TYR 83 Ca 0.19 0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 2g9h h TYR 83 Cb 0.49 0.59 -0.02 0.00 1.55 0.00 0.00 36.73 39.34 2g9h h TYR 83 CO 0.04 -0.42 0.22 0.78 -1.32 0.00 0.00 178.16 177.46 2g9h h GLY 84 N -0.23 0.50 0.49 1.82 0.00 -0.90 -1.01 103.07 103.74 2g9h h GLY 84 Ca 0.18 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.39 2g9h h GLY 84 CO -0.66 0.20 0.25 -2.08 0.00 0.00 0.00 176.54 174.25 2g9h h VAL 85 N 0.46 0.83 -0.02 4.60 2.07 -0.99 -2.93 116.25 120.28 2g9h h VAL 85 Ca 0.13 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2g9h h VAL 85 Cb -0.01 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2g9h h VAL 85 CO -0.02 0.08 -0.09 0.61 0.02 0.00 0.00 177.57 178.17 2g9h n GLY 86 N -1.28 0.07 0.22 2.17 0.00 -0.51 -4.65 105.19 101.20 2g9h n GLY 86 Ca 0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 2g9h n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g9h h GLU 87 N 2.58 -0.04 -0.77 1.61 4.81 -0.98 -2.20 114.58 119.59 2g9h h GLU 87 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2g9h h GLU 87 Cb 0.62 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2g9h h GLU 87 CO 0.00 -0.03 0.50 0.66 -0.73 0.00 0.00 179.01 179.42 2g9h h SER 88 N -0.04 0.71 -0.21 1.04 4.64 -1.82 -1.20 113.55 116.67 2g9h h SER 88 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2g9h h SER 88 Cb 0.39 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2g9h h SER 88 CO -0.50 0.46 0.00 2.22 -0.87 0.00 0.00 176.83 178.13 2g9h n PHE 89 N -4.48 0.26 0.00 4.77 1.16 -0.96 -3.74 117.46 114.47 2g9h n PHE 89 Ca 0.11 -0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 2g9h n PHE 89 Cb 0.23 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 2g9h n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2g9h n THR 90 N 0.93 0.00 -0.29 1.97 -2.24 -0.87 -4.48 114.28 109.31 2g9h n THR 90 Ca 0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 2g9h n THR 90 Cb 0.44 -0.61 0.11 0.00 -2.10 0.00 0.00 70.33 68.18 2g9h n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2g9h h VAL 91 N 0.00 1.08 -0.68 2.28 2.07 -1.57 -2.52 116.25 116.92 2g9h h VAL 91 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2g9h h VAL 91 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2g9h h VAL 91 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2g9h n GLN 92 N -4.62 2.99 -1.97 1.57 6.02 -0.52 -4.94 117.38 115.90 2g9h n GLN 92 Ca 0.10 -2.67 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 2g9h n GLN 92 Cb 0.12 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2g9h n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2g9h s ARG 93 N -1.22 4.21 -0.13 -1.09 3.52 -0.95 -4.88 118.95 118.41 2g9h s ARG 93 Ca 0.47 2.28 -0.01 0.00 -0.13 0.00 0.00 55.73 58.34 2g9h s ARG 93 Cb 0.26 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2g9h s ARG 93 CO 0.30 -0.72 -0.03 1.03 -0.81 0.00 0.00 175.30 175.07 2g9h s ARG 94 N 2.67 1.11 -0.08 5.12 1.81 -1.26 -3.88 118.95 124.44 2g9h s ARG 94 Ca 0.73 -0.27 0.02 0.00 -1.72 0.00 0.00 55.73 54.49 2g9h s ARG 94 Cb -0.38 -1.64 0.01 0.00 -0.45 0.00 0.00 34.95 32.49 2g9h s ARG 94 CO 0.31 -0.39 -0.12 0.08 -0.68 0.00 0.00 175.30 174.50 2g9h s VAL 95 N 1.78 1.18 0.08 3.52 1.01 0.10 -4.94 120.40 123.12 2g9h s VAL 95 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2g9h s VAL 95 Cb -0.14 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2g9h s VAL 95 CO -0.07 0.37 1.10 -0.70 0.00 0.00 0.00 175.10 175.80 2g9h s GLU 96 N 0.83 4.53 0.36 2.72 2.12 -1.26 -2.19 118.70 125.80 2g9h s GLU 96 Ca -0.11 1.64 -0.28 0.00 0.36 0.00 0.00 54.97 56.58 2g9h s GLU 96 Cb -0.15 -3.36 -0.11 0.00 0.26 0.00 0.00 34.13 30.76 2g9h s GLU 96 CO 0.02 -0.08 1.48 -2.30 -0.54 0.00 0.00 175.26 173.84 2g9h n PRO 97 N 3.43 2.60 -3.26 4.30 -0.02 -1.26 -4.51 135.00 136.28 2g9h n PRO 97 Ca 0.06 0.91 -0.39 0.00 -2.02 0.00 0.00 63.50 62.06 2g9h n PRO 97 Cb 0.48 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 2g9h n PRO 97 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2g9h s LYS 98 N -1.77 4.13 -0.17 -0.52 2.20 0.37 -4.91 119.74 119.07 2g9h s LYS 98 Ca 0.56 0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 56.48 2g9h s LYS 98 Cb -0.49 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2g9h s LYS 98 CO 0.61 -0.23 -0.07 0.08 -0.36 0.00 0.00 175.35 175.38 2g9h s VAL 99 N 1.92 3.47 0.08 4.02 1.01 -1.26 -1.51 120.40 128.13 2g9h s VAL 99 Ca 0.22 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2g9h s VAL 99 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2g9h s VAL 99 CO 0.09 0.48 -0.11 0.42 0.00 0.00 0.00 175.10 175.98 2g9h s THR 100 N 0.69 0.93 -0.08 3.92 -4.23 -0.60 -4.96 115.64 111.30 2g9h s THR 100 Ca -0.04 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2g9h s THR 100 Cb -0.15 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2g9h s THR 100 CO 0.02 -0.42 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.76 2g9h s VAL 101 N -1.89 2.20 -0.04 2.29 1.01 -1.26 -0.78 120.40 121.93 2g9h s VAL 101 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2g9h s VAL 101 Cb -0.06 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2g9h s VAL 101 CO 0.01 0.56 0.13 -0.72 0.00 0.00 0.00 175.10 175.08 2g9h s TYR 102 N 0.04 -0.08 0.39 5.22 1.13 0.06 -4.97 117.35 119.13 2g9h s TYR 102 Ca -0.09 0.21 -0.26 0.00 -1.41 0.00 0.00 57.07 55.52 2g9h s TYR 102 Cb -0.15 0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.64 2g9h s TYR 102 CO 0.06 -0.12 1.22 -2.14 -2.51 0.00 0.00 175.55 172.05 2g9h s PRO 103 N -0.31 4.07 0.52 -3.49 0.02 -1.26 0.51 135.00 135.06 2g9h s PRO 103 Ca -0.04 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 62.72 2g9h s PRO 103 Cb -0.03 -2.75 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 2g9h s PRO 103 CO 0.00 -0.35 1.37 0.45 -0.33 0.00 0.00 177.00 178.15 2g9h s SER 104 N -0.95 5.44 0.49 2.53 0.15 0.15 -4.86 113.70 116.65 2g9h s SER 104 Ca 0.56 2.80 0.25 0.00 0.70 0.00 0.00 55.95 60.26 2g9h s SER 104 Cb -0.34 -2.64 1.24 0.00 -1.71 0.00 0.00 66.02 62.57 2g9h s SER 104 CO 0.43 -1.46 1.98 0.07 1.20 0.00 0.00 173.24 175.46 2g9h h LYS 105 N 1.69 0.00 -5.56 5.44 2.10 -1.93 -3.39 116.57 114.93 2g9h h LYS 105 Ca -0.51 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.54 2g9h h LYS 105 Cb 1.29 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.53 2g9h h LYS 105 CO 0.58 0.17 -0.34 -0.08 -2.00 0.00 0.00 179.45 177.79 2g9h s THR 106 N -4.03 5.30 -0.61 0.07 -1.32 -1.26 -5.05 115.64 108.74 2g9h s THR 106 Ca -0.02 0.53 0.05 0.00 -1.21 0.00 0.00 61.69 61.04 2g9h s THR 106 Cb 0.12 -3.61 0.20 0.00 -1.51 0.00 0.00 72.50 67.71 2g9h s THR 106 CO 0.61 0.44 0.55 0.00 -2.21 0.00 0.00 174.62 174.01 2g9h n GLN 107 N 3.19 1.71 -0.15 7.08 1.13 -1.26 -4.70 117.38 124.37 2g9h n GLN 107 Ca -0.13 -4.24 0.09 0.00 -1.94 0.00 0.00 57.00 50.78 2g9h n GLN 107 Cb 0.52 -2.09 0.28 0.00 0.11 0.00 0.00 30.24 29.07 2g9h n GLN 107 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2g9h n PRO 108 N 1.68 1.96 -1.89 -1.09 -0.04 -1.26 -4.24 135.00 130.12 2g9h n PRO 108 Ca 0.25 -1.46 -0.31 0.00 -0.04 0.00 0.00 63.50 61.93 2g9h n PRO 108 Cb 0.40 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2g9h n PRO 108 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2g9h n LEU 109 N 0.68 6.29 0.00 1.53 4.32 -1.26 -5.04 117.00 123.53 2g9h n LEU 109 Ca 0.16 -4.73 0.00 0.00 -0.02 0.00 0.00 56.01 51.42 2g9h n LEU 109 Cb 0.39 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2g9h n LEU 109 CO 0.12 1.87 0.00 0.00 -1.22 0.00 0.00 177.39 178.16 2g9h n GLN 110 N -0.69 0.00 0.00 3.23 1.13 -1.26 -1.38 117.38 118.41 2g9h n GLN 110 Ca 0.51 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.72 2g9h n GLN 110 Cb 0.65 0.00 0.75 0.00 0.11 0.00 0.00 30.24 31.75 2g9h n GLN 110 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2g9h n HIS 111 N 14.00 0.00 -2.61 1.08 1.44 -1.26 -4.70 115.22 123.17 2g9h n HIS 111 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 2g9h n HIS 111 Cb 0.00 -0.23 -0.02 0.00 0.12 0.00 0.00 29.99 29.86 2g9h n HIS 111 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2g9h s HIS 112 N -2.47 3.11 0.26 -1.40 3.76 -0.48 -4.48 115.29 113.59 2g9h s HIS 112 Ca 0.31 1.18 -0.12 0.00 -0.15 0.00 0.00 55.06 56.28 2g9h s HIS 112 Cb 0.20 -3.67 -0.08 0.00 1.11 0.00 0.00 32.58 30.15 2g9h s HIS 112 CO 0.45 -0.86 0.62 1.21 -0.85 0.00 0.00 174.74 175.31 2g9h s ASN 113 N 1.73 6.71 -0.22 1.40 2.47 0.20 -4.17 114.94 123.06 2g9h s ASN 113 Ca 0.47 1.08 -0.04 0.00 0.42 0.00 0.00 52.86 54.78 2g9h s ASN 113 Cb -0.13 -2.29 -0.01 0.00 -1.45 0.00 0.00 41.25 37.36 2g9h s ASN 113 CO 0.15 -0.10 -0.02 -0.76 -3.72 0.00 0.00 177.10 172.65 2g9h s LEU 114 N -2.78 3.02 -0.18 3.21 1.43 -1.26 -1.29 118.68 120.83 2g9h s LEU 114 Ca 0.49 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2g9h s LEU 114 Cb -0.11 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2g9h s LEU 114 CO 0.20 -0.00 -0.01 -0.76 0.23 0.00 0.00 176.35 176.01 2g9h s LEU 115 N 1.38 3.31 -0.17 1.79 1.43 0.15 0.33 118.68 126.90 2g9h s LEU 115 Ca 0.05 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2g9h s LEU 115 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2g9h s LEU 115 CO -0.01 0.11 0.00 -0.69 0.23 0.00 0.00 176.35 175.99 2g9h s VAL 116 N 0.72 4.25 -0.35 -1.59 1.01 0.18 -0.39 120.40 124.24 2g9h s VAL 116 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 2g9h s VAL 116 Cb -0.14 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2g9h s VAL 116 CO 0.02 0.48 0.18 0.00 0.00 0.00 0.00 175.10 175.78 2g9h s SER 118 N 1.55 6.29 -0.29 0.00 0.15 0.04 -1.10 113.70 120.33 2g9h s SER 118 Ca 0.02 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2g9h s SER 118 Cb -0.19 -2.19 0.08 0.00 -1.71 0.00 0.00 66.02 62.01 2g9h s SER 118 CO 0.06 -0.07 -0.04 -0.69 1.20 0.00 0.00 173.24 173.70 2g9h s VAL 119 N 1.47 2.20 0.14 4.45 1.01 0.17 -1.56 120.40 128.29 2g9h s VAL 119 Ca 0.14 -1.93 0.06 0.00 0.00 0.00 0.00 61.98 60.26 2g9h s VAL 119 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2g9h s VAL 119 CO 0.08 -0.27 -0.14 -0.94 0.00 0.00 0.00 175.10 173.83 2g9h s SER 120 N 1.02 2.12 0.00 3.32 1.04 -0.57 -0.19 113.70 120.44 2g9h s SER 120 Ca -0.01 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2g9h s SER 120 Cb -0.20 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2g9h s SER 120 CO -0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2g9h n GLY 121 N 0.27 0.63 3.95 7.32 0.00 -0.19 -0.48 105.19 116.69 2g9h n GLY 121 Ca -0.13 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2g9h n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2g9h s PHE 122 N -2.00 3.44 -0.23 1.61 -0.71 -1.03 -4.59 117.98 114.47 2g9h s PHE 122 Ca 0.00 0.01 -0.18 0.00 -1.04 0.00 0.00 56.93 55.72 2g9h s PHE 122 Cb 0.00 -1.59 0.06 0.00 -1.21 0.00 0.00 43.02 40.29 2g9h s PHE 122 CO 0.00 0.46 0.60 -0.47 -1.34 0.00 0.00 175.22 174.47 2g9h s TYR 123 N -1.92 -0.75 0.34 3.49 5.04 -0.93 0.33 117.35 122.95 2g9h s TYR 123 Ca 0.34 1.70 -0.06 0.00 -2.44 0.00 0.00 57.07 56.61 2g9h s TYR 123 Cb -0.09 0.33 0.08 0.00 0.35 0.00 0.00 41.96 42.63 2g9h s TYR 123 CO 0.29 -0.37 0.37 -2.30 -1.34 0.00 0.00 175.55 172.19 2g9h n PRO 124 N 3.36 -1.04 0.12 4.97 -0.02 -1.25 0.02 135.00 141.14 2g9h n PRO 124 Ca -0.17 -0.58 0.13 0.00 -2.02 0.00 0.00 63.50 60.86 2g9h n PRO 124 Cb 0.56 -0.46 0.40 0.00 -0.02 0.00 0.00 33.50 33.98 2g9h n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2g9h h GLY 125 N -0.87 0.00 -5.20 -1.23 0.00 -1.98 -3.45 103.07 90.35 2g9h h GLY 125 Ca -0.13 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.65 2g9h h GLY 125 CO 0.09 0.00 1.01 -0.56 0.00 0.00 0.00 176.54 177.08 2g9h s SER 126 N -4.62 6.77 -0.00 0.19 0.01 -1.26 -4.97 113.70 109.81 2g9h s SER 126 Ca 0.10 2.05 -0.21 0.00 1.31 0.00 0.00 55.95 59.20 2g9h s SER 126 Cb 0.12 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.85 2g9h s SER 126 CO 0.59 -0.86 0.47 -0.51 0.41 0.00 0.00 173.24 173.33 2g9h s ILE 127 N 3.77 0.04 -0.06 1.44 2.07 -1.26 -4.37 121.20 122.82 2g9h s ILE 127 Ca 0.67 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.63 2g9h s ILE 127 Cb -0.29 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.46 2g9h s ILE 127 CO 0.24 -0.17 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.38 2g9h s GLU 128 N -1.67 1.55 -0.14 3.50 2.02 -0.45 -5.01 118.70 118.50 2g9h s GLU 128 Ca -0.10 -0.39 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 2g9h s GLU 128 Cb -0.02 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 32.93 2g9h s GLU 128 CO 0.04 0.05 -0.08 0.08 0.02 0.00 0.00 175.26 175.37 2g9h s VAL 129 N 0.57 1.15 -0.02 2.63 1.01 -1.26 -1.16 120.40 123.32 2g9h s VAL 129 Ca -0.12 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2g9h s VAL 129 Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2g9h s VAL 129 CO 0.03 0.30 -0.18 -0.13 0.00 0.00 0.00 175.10 175.12 2g9h s ARG 130 N 1.64 1.45 -0.14 2.72 0.52 -0.47 -4.97 118.95 119.72 2g9h s ARG 130 Ca 0.03 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 2g9h s ARG 130 Cb -0.14 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 2g9h s ARG 130 CO -0.08 0.37 0.10 -1.58 0.02 0.00 0.00 175.30 174.13 2g9h s TRP 131 N -0.38 3.44 0.02 -0.53 0.52 -1.26 -0.30 118.94 120.45 2g9h s TRP 131 Ca 0.06 0.37 0.07 0.00 0.02 0.00 0.00 56.10 56.62 2g9h s TRP 131 Cb -0.07 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 2g9h s TRP 131 CO -0.00 0.53 -0.22 -0.06 0.02 0.00 0.00 176.95 177.21 2g9h s PHE 132 N -0.56 1.98 -0.20 -1.98 0.40 0.14 -0.12 117.98 117.64 2g9h s PHE 132 Ca 0.12 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2g9h s PHE 132 Cb -0.12 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.22 2g9h s PHE 132 CO 0.02 0.05 -0.18 0.50 0.70 0.00 0.00 175.22 176.31 2g9h s ARG 133 N -0.91 2.88 -1.54 0.44 3.52 -0.12 -0.70 118.95 122.51 2g9h s ARG 133 Ca 0.09 -0.91 -0.14 0.00 -0.13 0.00 0.00 55.73 54.64 2g9h s ARG 133 Cb -0.09 -2.64 0.09 0.00 -1.56 0.00 0.00 34.95 30.74 2g9h s ARG 133 CO 0.01 -0.27 0.99 0.09 -0.81 0.00 0.00 175.30 175.30 2g9h n ASN 134 N 4.60 -4.83 0.00 -2.12 3.02 0.92 -2.16 115.26 114.69 2g9h n ASN 134 Ca -0.20 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2g9h n ASN 134 Cb 0.49 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 2g9h n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g9h n GLY 135 N -1.69 0.89 3.36 7.41 0.00 -1.26 -5.02 105.19 108.88 2g9h n GLY 135 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2g9h n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g9h s GLN 136 N -0.03 3.40 0.34 1.61 -0.21 -0.92 -5.05 119.66 118.79 2g9h s GLN 136 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.43 2g9h s GLN 136 Cb 0.00 -2.74 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 2g9h s GLN 136 CO 0.00 0.12 1.56 -2.00 -2.12 0.00 0.00 175.29 172.85 2g9h s GLU 137 N 0.60 4.10 -0.35 2.91 2.12 -1.26 -0.95 118.70 125.88 2g9h s GLU 137 Ca -0.06 2.60 -0.11 0.00 0.36 0.00 0.00 54.97 57.76 2g9h s GLU 137 Cb -0.15 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2g9h s GLU 137 CO 0.03 -0.61 0.20 -1.21 -0.54 0.00 0.00 175.26 173.14 2g9h s GLU 138 N -1.29 3.15 -0.22 4.30 0.41 0.83 -4.84 118.70 121.03 2g9h s GLU 138 Ca 0.58 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 54.27 2g9h s GLU 138 Cb -0.48 -3.71 -0.19 0.00 -1.78 0.00 0.00 34.13 27.97 2g9h s GLU 138 CO 0.56 -0.56 -0.08 1.63 -0.49 0.00 0.00 175.26 176.33 2g9h n LYS 139 N 5.03 0.68 -2.68 1.61 4.76 -1.26 -4.44 118.16 121.86 2g9h n LYS 139 Ca -0.13 0.18 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 2g9h n LYS 139 Cb 0.48 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 2g9h n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2g9h s ALA 140 N -2.53 3.00 -0.81 7.82 0.00 -1.26 -3.90 121.76 124.08 2g9h s ALA 140 Ca -0.32 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2g9h s ALA 140 Cb 0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2g9h s ALA 140 CO 0.64 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2g9h n GLY 141 N -0.68 0.41 3.52 0.00 0.00 -1.26 -4.86 105.19 102.32 2g9h n GLY 141 Ca 0.08 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 2g9h n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g9h s VAL 142 N -2.39 3.51 0.02 1.61 1.01 -1.25 -0.67 120.40 122.23 2g9h s VAL 142 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2g9h s VAL 142 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2g9h s VAL 142 CO 0.00 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.92 2g9h s VAL 143 N -0.48 0.44 0.10 2.92 1.01 -0.02 -5.00 120.40 119.36 2g9h s VAL 143 Ca 0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 2g9h s VAL 143 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2g9h s VAL 143 CO 0.02 -0.12 0.00 -0.55 0.00 0.00 0.00 175.10 174.45 2g9h s SER 144 N -0.78 0.56 0.08 3.32 0.15 -1.26 -0.27 113.70 115.51 2g9h s SER 144 Ca -0.04 -1.10 0.22 0.00 0.70 0.00 0.00 55.95 55.74 2g9h s SER 144 Cb -0.06 0.22 -0.16 0.00 -1.71 0.00 0.00 66.02 64.31 2g9h s SER 144 CO 0.00 -0.63 0.78 1.07 1.20 0.00 0.00 173.24 175.66 2g9h n THR 145 N -0.02 0.30 -4.27 6.45 5.66 -0.58 -5.02 114.28 116.79 2g9h n THR 145 Ca -0.10 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.41 2g9h n THR 145 Cb 0.62 -0.14 -0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2g9h n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g9h n GLY 146 N 1.23 -1.52 3.72 1.09 0.00 -1.26 -4.81 105.19 103.64 2g9h n GLY 146 Ca -0.02 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 2g9h n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g9h s LEU 147 N 0.00 4.38 -0.20 0.99 2.96 -1.26 -4.52 118.68 121.04 2g9h s LEU 147 Ca 0.00 1.58 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 2g9h s LEU 147 Cb 0.00 -3.46 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 2g9h s LEU 147 CO 0.00 -0.18 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.11 2g9h s ILE 148 N 0.75 2.95 -0.17 6.68 1.01 -0.19 -5.00 121.20 127.23 2g9h s ILE 148 Ca 0.48 -0.65 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 2g9h s ILE 148 Cb -0.21 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2g9h s ILE 148 CO 0.26 0.47 0.72 -1.10 0.00 0.00 0.00 174.94 175.29 2g9h s GLN 149 N 1.27 4.28 0.07 2.79 -0.21 -1.26 -1.11 119.66 125.49 2g9h s GLN 149 Ca 0.03 0.81 0.24 0.00 0.02 0.00 0.00 55.36 56.46 2g9h s GLN 149 Cb -0.14 -3.55 0.38 0.00 1.00 0.00 0.00 33.01 30.69 2g9h s GLN 149 CO -0.05 -0.22 1.33 0.09 -2.12 0.00 0.00 175.29 174.32 2g9h n ASN 150 N 4.91 0.61 0.00 5.90 3.02 -0.84 -4.94 115.26 123.92 2g9h n ASN 150 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2g9h n ASN 150 Cb 0.50 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 2g9h n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g9h n GLY 151 N 1.40 0.72 0.53 7.41 0.00 -1.26 -4.91 105.19 109.08 2g9h n GLY 151 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2g9h n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2g9h n ASP 152 N 0.00 1.50 -0.51 1.61 5.75 -1.26 -4.97 116.55 118.66 2g9h n ASP 152 Ca 0.00 -2.94 -0.05 0.00 -0.01 0.00 0.00 54.79 51.79 2g9h n ASP 152 Cb 0.00 -0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 2g9h n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2g9h n TRP 153 N -0.76 -0.17 -4.05 2.11 7.02 -1.26 -5.05 117.44 115.28 2g9h n TRP 153 Ca 0.12 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.50 2g9h n TRP 153 Cb 0.75 -1.56 -0.11 0.00 -2.42 0.00 0.00 31.31 27.96 2g9h n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2g9h s THR 154 N -2.23 0.37 0.34 -0.99 -4.23 -1.26 -4.63 115.64 103.00 2g9h s THR 154 Ca 0.00 -1.23 0.09 0.00 -1.18 0.00 0.00 61.69 59.37 2g9h s THR 154 Cb 0.00 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 2g9h s THR 154 CO 0.00 -0.57 0.00 -0.36 -0.54 0.00 0.00 174.62 173.16 2g9h s PHE 155 N -2.02 2.54 0.06 3.99 0.40 0.15 -2.00 117.98 121.10 2g9h s PHE 155 Ca -0.07 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 2g9h s PHE 155 Cb -0.06 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2g9h s PHE 155 CO -0.02 0.49 0.08 1.14 0.70 0.00 0.00 175.22 177.60 2g9h s GLN 156 N -3.71 0.69 -0.13 0.44 -2.07 -0.27 -1.02 119.66 113.59 2g9h s GLN 156 Ca 0.35 -1.03 -0.14 0.00 -1.82 0.00 0.00 55.36 52.72 2g9h s GLN 156 Cb -0.00 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2g9h s GLN 156 CO 0.19 -0.18 0.39 -0.08 -1.32 0.00 0.00 175.29 174.29 2g9h s THR 157 N -3.62 0.01 -0.14 3.63 -1.32 0.74 -1.02 115.64 113.92 2g9h s THR 157 Ca 0.04 -0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 2g9h s THR 157 Cb 0.05 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2g9h s THR 157 CO -0.09 -0.03 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.33 2g9h s LEU 158 N 0.03 2.23 -0.20 9.08 1.02 -1.26 -0.65 118.68 128.93 2g9h s LEU 158 Ca -0.02 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.59 2g9h s LEU 158 Cb -0.03 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.72 2g9h s LEU 158 CO 0.01 0.10 -0.15 -0.69 0.02 0.00 0.00 176.35 175.64 2g9h s VAL 159 N 0.72 2.38 -0.14 -1.59 1.01 -0.26 -1.52 120.40 120.99 2g9h s VAL 159 Ca -0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2g9h s VAL 159 Cb -0.16 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2g9h s VAL 159 CO 0.01 0.45 -0.05 -0.32 0.00 0.00 0.00 175.10 175.18 2g9h s MET 160 N 1.31 3.56 -0.16 2.72 0.00 0.63 -0.40 119.30 126.96 2g9h s MET 160 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 55.69 55.15 2g9h s MET 160 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 34.83 31.82 2g9h s MET 160 CO -0.10 0.28 -0.05 -1.17 0.00 0.00 0.00 175.02 173.98 2g9h s LEU 161 N 0.25 3.17 -0.05 4.11 2.96 0.48 -0.84 118.68 128.75 2g9h s LEU 161 Ca -0.04 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 2g9h s LEU 161 Cb -0.14 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2g9h s LEU 161 CO 0.03 0.15 0.48 -1.83 -1.32 0.00 0.00 176.35 173.87 2g9h s GLU 162 N 0.45 4.21 0.14 1.98 4.04 0.16 -0.68 118.70 129.00 2g9h s GLU 162 Ca -0.04 0.50 -0.15 0.00 0.04 0.00 0.00 54.97 55.32 2g9h s GLU 162 Cb -0.14 -3.34 0.03 0.00 0.02 0.00 0.00 34.13 30.69 2g9h s GLU 162 CO 0.03 0.39 0.40 -0.08 -1.84 0.00 0.00 175.26 174.15 2g9h s THR 163 N -0.14 0.07 -0.47 1.83 -1.32 -0.42 -4.81 115.64 110.37 2g9h s THR 163 Ca 0.26 -0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 59.81 2g9h s THR 163 Cb -0.16 -1.35 0.06 0.00 -1.51 0.00 0.00 72.50 69.53 2g9h s THR 163 CO 0.13 -0.30 0.48 -0.69 -2.21 0.00 0.00 174.62 172.03 2g9h s VAL 164 N -3.84 5.09 -0.20 5.08 1.01 -1.26 0.60 120.40 126.87 2g9h s VAL 164 Ca 0.06 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2g9h s VAL 164 Cb 0.02 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2g9h s VAL 164 CO -0.09 -0.62 1.54 -2.16 0.00 0.00 0.00 175.10 173.78 2g9h s PRO 165 N 2.07 3.92 0.02 2.72 0.04 -1.26 -4.99 135.00 137.52 2g9h s PRO 165 Ca 0.09 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2g9h s PRO 165 Cb -0.21 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2g9h s PRO 165 CO 0.10 -1.13 0.08 1.03 0.04 0.00 0.00 177.00 177.12 2g9h s ARG 166 N 4.38 3.02 0.33 4.56 0.52 -1.26 -5.08 118.95 125.42 2g9h s ARG 166 Ca 0.68 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 55.06 2g9h s ARG 166 Cb -0.25 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.30 2g9h s ARG 166 CO 0.27 0.62 1.25 -1.12 0.02 0.00 0.00 175.30 176.34 2g9h s SER 167 N -1.93 6.85 0.00 0.23 0.01 -1.26 -2.21 113.70 115.39 2g9h s SER 167 Ca 0.25 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2g9h s SER 167 Cb -0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2g9h s SER 167 CO 0.16 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2g9h n GLY 168 N 0.87 3.40 3.77 3.44 0.00 -1.22 -5.06 105.19 110.40 2g9h n GLY 168 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2g9h n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g9h s GLU 169 N -0.82 4.42 -0.28 1.61 2.02 -0.94 -4.89 118.70 119.84 2g9h s GLU 169 Ca 0.00 2.05 -0.03 0.00 0.02 0.00 0.00 54.97 57.01 2g9h s GLU 169 Cb 0.00 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.18 2g9h s GLU 169 CO 0.00 -0.07 -0.01 0.08 0.02 0.00 0.00 175.26 175.28 2g9h s VAL 170 N -1.17 3.17 -0.13 2.63 1.01 -1.26 -1.65 120.40 123.00 2g9h s VAL 170 Ca 0.48 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2g9h s VAL 170 Cb -0.36 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2g9h s VAL 170 CO 0.48 0.08 0.21 -0.31 0.00 0.00 0.00 175.10 175.55 2g9h s TYR 171 N 1.34 3.55 -0.07 5.22 2.02 0.36 -0.05 117.35 129.72 2g9h s TYR 171 Ca -0.01 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 2g9h s TYR 171 Cb -0.18 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 2g9h s TYR 171 CO -0.02 0.53 -0.06 0.99 -1.57 0.00 0.00 175.55 175.42 2g9h s THR 172 N -0.46 0.78 -0.17 -0.71 2.01 0.12 0.45 115.64 117.66 2g9h s THR 172 Ca 0.15 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 2g9h s THR 172 Cb -0.13 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2g9h s THR 172 CO 0.04 0.30 0.45 0.00 -0.69 0.00 0.00 174.62 174.72 2g9h s GLN 174 N 1.05 2.86 -0.18 0.00 0.74 0.59 -1.81 119.66 122.91 2g9h s GLN 174 Ca 0.23 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.82 2g9h s GLN 174 Cb -0.15 -2.42 -0.02 0.00 1.10 0.00 0.00 33.01 31.52 2g9h s GLN 174 CO 0.09 -0.14 -0.05 0.08 -0.55 0.00 0.00 175.29 174.72 2g9h s VAL 175 N 1.13 3.55 -0.14 1.34 1.01 0.48 -1.36 120.40 126.41 2g9h s VAL 175 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2g9h s VAL 175 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2g9h s VAL 175 CO -0.08 0.46 -0.11 -1.61 0.00 0.00 0.00 175.10 173.76 2g9h s GLU 176 N 0.86 3.45 -0.09 2.72 2.02 -0.31 -0.69 118.70 126.66 2g9h s GLU 176 Ca -0.01 -0.65 -0.18 0.00 0.02 0.00 0.00 54.97 54.15 2g9h s GLU 176 Cb -0.15 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.43 2g9h s GLU 176 CO 0.01 0.22 0.44 -1.58 0.02 0.00 0.00 175.26 174.37 2g9h s HIS 177 N 0.35 -0.41 0.61 1.61 2.46 -1.26 -1.35 115.29 117.31 2g9h s HIS 177 Ca -0.09 0.84 0.28 0.00 0.47 0.00 0.00 55.06 56.55 2g9h s HIS 177 Cb -0.16 0.18 1.40 0.00 -0.13 0.00 0.00 32.58 33.87 2g9h s HIS 177 CO 0.05 -0.36 1.80 -1.35 -2.47 0.00 0.00 174.74 172.41 2g9h h PRO 178 N 4.42 0.00 0.00 2.88 0.11 -1.94 -2.02 132.00 135.44 2g9h h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2g9h h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2g9h h PRO 178 CO 0.32 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 2g9h n SER 179 N -3.40 0.37 -4.14 -2.05 3.41 -1.26 -4.79 113.62 101.76 2g9h n SER 179 Ca 0.07 0.59 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 2g9h n SER 179 Cb 0.69 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 2g9h n SER 179 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2g9h s VAL 180 N -3.17 1.24 0.03 -3.33 -7.23 -0.76 -4.89 120.40 102.29 2g9h s VAL 180 Ca 0.06 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.33 2g9h s VAL 180 Cb 0.10 -1.03 -0.15 0.00 0.56 0.00 0.00 36.38 35.85 2g9h s VAL 180 CO 0.34 0.34 1.39 0.74 -0.31 0.00 0.00 175.10 177.60 2g9h h THR 181 N 4.74 1.31 -2.88 5.32 2.02 -1.86 -3.43 112.91 118.13 2g9h h THR 181 Ca -0.36 -1.05 -0.52 0.00 0.77 0.00 0.00 66.41 65.25 2g9h h THR 181 Cb 1.16 1.79 -0.16 0.00 -1.74 0.00 0.00 68.15 69.20 2g9h h THR 181 CO 0.48 0.30 -0.76 -0.94 0.37 0.00 0.00 175.52 174.97 2g9h s SER 182 N -5.86 2.89 0.50 4.18 1.04 -1.26 -5.08 113.70 110.11 2g9h s SER 182 Ca -0.15 -0.96 -0.22 0.00 0.48 0.00 0.00 55.95 55.10 2g9h s SER 182 Cb 0.05 -0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 2g9h s SER 182 CO 0.72 -0.06 1.11 -2.65 0.98 0.00 0.00 173.24 173.34 2g9h n PRO 183 N -0.18 1.38 -3.34 4.02 -0.02 -1.26 -4.98 135.00 130.63 2g9h n PRO 183 Ca -0.09 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 2g9h n PRO 183 Cb 0.59 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2g9h n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2g9h s LEU 184 N -1.78 4.36 0.01 2.45 1.43 0.14 -4.91 118.68 120.37 2g9h s LEU 184 Ca 0.68 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2g9h s LEU 184 Cb -0.47 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 2g9h s LEU 184 CO 0.52 0.11 -0.11 0.42 0.23 0.00 0.00 176.35 177.53 2g9h s THR 185 N -0.04 0.88 -0.08 5.49 -4.23 -1.26 -0.39 115.64 116.01 2g9h s THR 185 Ca 0.26 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2g9h s THR 185 Cb -0.16 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.93 2g9h s THR 185 CO 0.13 0.15 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.52 2g9h s VAL 186 N -0.45 1.35 -0.10 2.29 1.01 -0.75 -5.00 120.40 118.75 2g9h s VAL 186 Ca 0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2g9h s VAL 186 Cb -0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2g9h s VAL 186 CO 0.00 0.40 0.01 -0.70 0.00 0.00 0.00 175.10 174.82 2g9h s GLU 187 N 0.69 3.16 -0.08 2.72 2.12 -1.26 -1.66 118.70 124.39 2g9h s GLU 187 Ca -0.14 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2g9h s GLU 187 Cb -0.16 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.38 2g9h s GLU 187 CO 0.04 0.63 -0.11 -0.46 -0.54 0.00 0.00 175.26 174.81 2g9h s TRP 188 N -0.67 1.48 -0.24 5.30 -0.00 0.17 -5.00 118.94 119.98 2g9h s TRP 188 Ca 0.11 -0.61 -0.04 0.00 -0.00 0.00 0.00 56.10 55.56 2g9h s TRP 188 Cb -0.12 -1.13 -0.00 0.00 -0.00 0.00 0.00 33.47 32.23 2g9h s TRP 188 CO 0.02 -0.35 -0.02 1.03 -0.00 0.00 0.00 176.95 177.63 2g9h s ARG 189 N 0.98 3.24 0.00 5.86 0.52 -1.26 -0.49 118.95 127.81 2g9h s ARG 189 Ca -0.08 -0.72 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 2g9h s ARG 189 Cb -0.15 -3.08 0.41 0.00 0.52 0.00 0.00 34.95 32.66 2g9h s ARG 189 CO -0.00 -0.27 0.87 0.00 0.02 0.00 0.00 175.30 175.92