#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw9 s GLU 2 N 0.00 3.37 -0.06 0.00 2.12 -1.26 -2.08 118.70 120.78 3hw9 s GLU 2 Ca 0.00 0.77 0.20 0.00 0.36 0.00 0.00 54.97 56.30 3hw9 s GLU 2 Cb 0.00 -4.11 -0.30 0.00 0.26 0.00 0.00 34.13 29.98 3hw9 s GLU 2 CO 0.00 -1.84 0.37 0.44 -0.54 0.00 0.00 175.26 173.70 3hw9 n ILE 3 N 7.04 0.26 -3.76 -3.70 -5.35 -0.73 -4.93 119.36 108.19 3hw9 n ILE 3 Ca 0.16 -0.54 -0.15 0.00 -0.27 0.00 0.00 62.75 61.95 3hw9 n ILE 3 Cb 0.49 -0.08 -0.16 0.00 -1.74 0.00 0.00 39.64 38.15 3hw9 n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3hw9 s TYR 4 N -3.24 0.01 -0.47 4.28 5.04 -1.19 -5.02 117.35 116.77 3hw9 s TYR 4 Ca -0.08 0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.78 3hw9 s TYR 4 Cb 0.12 -0.24 0.19 0.00 0.35 0.00 0.00 41.96 42.38 3hw9 s TYR 4 CO 0.84 -0.10 0.59 -1.71 -1.34 0.00 0.00 175.55 173.83 3hw9 n ASN 5 N 4.27 -2.07 -3.90 4.32 5.15 -1.26 -0.42 115.26 121.34 3hw9 n ASN 5 Ca -0.26 -2.75 -0.17 0.00 -0.60 0.00 0.00 54.58 50.80 3hw9 n ASN 5 Cb 0.50 0.76 -0.15 0.00 -0.53 0.00 0.00 39.78 40.36 3hw9 n ASN 5 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hw9 s LYS 6 N 0.40 0.50 -1.21 1.20 -0.14 -1.01 -4.92 119.74 114.56 3hw9 s LYS 6 Ca 0.32 -0.09 -0.03 0.00 -1.36 0.00 0.00 55.97 54.80 3hw9 s LYS 6 Cb 0.05 -0.54 -0.01 0.00 -1.68 0.00 0.00 37.83 35.65 3hw9 s LYS 6 CO -0.13 -0.01 0.84 -0.25 -0.76 0.00 0.00 175.35 175.04 3hw9 n ASP 7 N 3.58 -2.79 0.00 2.83 8.00 -1.26 -2.90 116.55 124.00 3hw9 n ASP 7 Ca -0.20 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3hw9 n ASP 7 Cb 0.54 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 3hw9 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hw9 n GLY 8 N -1.39 2.90 3.45 0.44 0.00 -1.26 -4.89 105.19 104.43 3hw9 n GLY 8 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3hw9 n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hw9 s ASN 9 N -3.45 5.19 -0.10 1.61 2.47 -1.14 -1.43 114.94 118.10 3hw9 s ASN 9 Ca 0.00 -0.23 0.03 0.00 0.42 0.00 0.00 52.86 53.07 3hw9 s ASN 9 Cb 0.00 -1.93 -0.01 0.00 -1.45 0.00 0.00 41.25 37.85 3hw9 s ASN 9 CO 0.00 -0.05 -0.18 -1.59 -3.72 0.00 0.00 177.10 171.56 3hw9 s LYS 10 N 1.62 3.02 -0.14 0.43 -2.85 -0.07 -2.41 119.74 119.34 3hw9 s LYS 10 Ca 0.06 -0.78 0.02 0.00 -1.00 0.00 0.00 55.97 54.27 3hw9 s LYS 10 Cb -0.15 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 3hw9 s LYS 10 CO 0.04 0.29 -0.19 0.08 0.10 0.00 0.00 175.35 175.67 3hw9 s VAL 11 N 0.11 2.37 -0.36 1.79 1.01 0.44 -1.22 120.40 124.53 3hw9 s VAL 11 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3hw9 s VAL 11 Cb -0.15 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.35 3hw9 s VAL 11 CO 0.06 0.53 0.10 -0.62 0.00 0.00 0.00 175.10 175.17 3hw9 s ASP 12 N 0.74 4.97 -0.27 3.32 -1.08 -0.91 -1.77 116.67 121.66 3hw9 s ASP 12 Ca -0.08 -1.96 -0.21 0.00 -0.52 0.00 0.00 52.55 49.78 3hw9 s ASP 12 Cb -0.16 -1.72 -0.01 0.00 -1.46 0.00 0.00 42.92 39.57 3hw9 s ASP 12 CO 0.01 -0.43 0.68 -0.22 0.52 0.00 0.00 175.17 175.73 3hw9 s LEU 13 N 1.06 4.09 0.32 -1.34 2.96 -0.88 -0.31 118.68 124.57 3hw9 s LEU 13 Ca 0.07 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3hw9 s LEU 13 Cb -0.21 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.50 3hw9 s LEU 13 CO -0.05 -0.45 -0.01 -0.72 -1.32 0.00 0.00 176.35 173.80 3hw9 s TYR 14 N 2.63 2.10 0.00 5.38 -0.85 0.04 -1.03 117.35 125.63 3hw9 s TYR 14 Ca 0.28 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 3hw9 s TYR 14 Cb -0.15 -1.32 0.00 0.00 0.38 0.00 0.00 41.96 40.87 3hw9 s TYR 14 CO 0.10 0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.79 3hw9 n GLY 15 N -0.71 1.23 3.16 5.49 0.00 -1.14 -1.84 105.19 111.38 3hw9 n GLY 15 Ca -0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3hw9 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hw9 s LYS 16 N -2.00 0.47 -0.22 1.61 -2.85 -1.06 -1.80 119.74 113.89 3hw9 s LYS 16 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 55.97 54.86 3hw9 s LYS 16 Cb 0.00 0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.97 3hw9 s LYS 16 CO 0.00 -0.11 -0.05 0.00 0.10 0.00 0.00 175.35 175.29 3hw9 s ALA 17 N -0.83 2.79 -0.27 0.59 0.00 0.26 -0.76 121.76 123.53 3hw9 s ALA 17 Ca -0.09 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.69 3hw9 s ALA 17 Cb -0.05 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.44 3hw9 s ALA 17 CO 0.02 -0.47 -0.08 0.08 0.00 0.00 0.00 175.76 175.31 3hw9 s VAL 18 N 1.46 2.35 -0.81 0.00 1.01 -0.52 -1.54 120.40 122.34 3hw9 s VAL 18 Ca 0.05 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.18 3hw9 s VAL 18 Cb -0.14 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.91 3hw9 s VAL 18 CO -0.04 -0.08 1.17 -0.83 0.00 0.00 0.00 175.10 175.33 3hw9 s GLY 19 N 1.13 1.36 0.02 4.51 0.00 0.35 -2.29 107.32 112.40 3hw9 s GLY 19 Ca -0.07 -2.02 0.08 0.00 0.00 0.00 0.00 44.72 42.70 3hw9 s GLY 19 CO -0.04 2.31 -0.23 -2.27 0.00 0.00 0.00 173.10 172.88 3hw9 s LEU 20 N 4.33 2.34 -0.08 0.66 2.96 -1.26 -1.58 118.68 126.05 3hw9 s LEU 20 Ca 0.32 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3hw9 s LEU 20 Cb -0.09 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.24 3hw9 s LEU 20 CO 0.03 0.28 0.18 -2.28 -1.32 0.00 0.00 176.35 173.24 3hw9 s HIS 21 N -0.79 -0.22 -0.05 5.38 5.65 -0.80 -0.63 115.29 123.82 3hw9 s HIS 21 Ca 0.12 0.58 -0.06 0.00 0.25 0.00 0.00 55.06 55.96 3hw9 s HIS 21 Cb -0.10 -0.01 -0.04 0.00 -1.18 0.00 0.00 32.58 31.25 3hw9 s HIS 21 CO 0.02 -0.17 0.19 0.71 -0.65 0.00 0.00 174.74 174.84 3hw9 s TYR 22 N 0.97 3.58 -0.19 3.88 2.02 0.15 -2.09 117.35 125.68 3hw9 s TYR 22 Ca -0.07 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3hw9 s TYR 22 Cb -0.09 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3hw9 s TYR 22 CO -0.05 0.68 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.38 3hw9 s PHE 23 N -1.20 2.82 0.31 2.71 0.40 0.14 -2.18 117.98 120.99 3hw9 s PHE 23 Ca 0.22 -1.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.00 3hw9 s PHE 23 Cb -0.13 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 3hw9 s PHE 23 CO 0.12 -0.76 0.43 -1.12 0.70 0.00 0.00 175.22 174.60 3hw9 s SER 24 N 1.33 0.67 -0.07 1.36 0.01 -1.26 -1.08 113.70 114.65 3hw9 s SER 24 Ca 0.05 -1.38 -0.28 0.00 1.31 0.00 0.00 55.95 55.65 3hw9 s SER 24 Cb -0.13 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 3hw9 s SER 24 CO -0.11 -1.21 0.91 -0.54 0.41 0.00 0.00 173.24 172.70 3hw9 s LYS 25 N -3.37 4.45 0.00 12.44 1.02 -1.26 -4.79 119.74 128.23 3hw9 s LYS 25 Ca 0.30 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.53 3hw9 s LYS 25 Cb 0.00 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 3hw9 s LYS 25 CO 0.17 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3hw9 n GLY 26 N 3.09 2.33 2.71 -3.33 0.00 -1.26 -4.49 105.19 104.24 3hw9 n GLY 26 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3hw9 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw9 n GLY 28 N 0.00 1.76 0.16 -0.02 0.00 -1.26 -5.04 105.19 100.78 3hw9 n GLY 28 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.78 3hw9 n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hw9 h GLU 29 N 2.85 0.00 -0.62 1.61 4.81 -1.94 -3.18 114.58 118.11 3hw9 h GLU 29 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hw9 h GLU 29 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hw9 h GLU 29 CO 0.41 0.49 0.00 -1.71 -0.73 0.00 0.00 179.01 177.47 3hw9 n ASN 30 N -3.47 3.34 -4.98 1.04 4.05 -1.26 -4.84 115.26 109.14 3hw9 n ASN 30 Ca 0.00 -2.00 -0.20 0.00 0.45 0.00 0.00 54.58 52.84 3hw9 n ASN 30 Cb 0.61 -0.42 0.07 0.00 1.23 0.00 0.00 39.78 41.28 3hw9 n ASN 30 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3hw9 n SER 31 N 1.33 2.14 -0.02 1.20 3.41 -1.20 -0.69 113.62 119.79 3hw9 n SER 31 Ca 0.21 -2.56 -0.16 0.00 -0.26 0.00 0.00 58.87 56.10 3hw9 n SER 31 Cb 0.53 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3hw9 n SER 31 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3hw9 h TYR 32 N 0.10 0.47 0.00 7.33 3.20 -1.72 -3.41 116.97 122.94 3hw9 h TYR 32 Ca -0.28 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3hw9 h TYR 32 Cb 1.27 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3hw9 h TYR 32 CO 0.00 1.02 -1.04 0.41 -1.64 0.00 0.00 178.16 176.90 3hw9 n GLY 33 N 0.91 -0.09 0.00 1.82 0.00 -1.26 -5.02 105.19 101.55 3hw9 n GLY 33 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hw9 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw9 n GLY 34 N 1.99 -0.85 2.97 -0.02 0.00 -1.26 -5.07 105.19 102.95 3hw9 n GLY 34 Ca -0.01 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 3hw9 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hw9 s ASN 35 N -3.03 -0.04 0.00 1.61 3.04 -1.26 -4.35 114.94 110.92 3hw9 s ASN 35 Ca 0.00 0.05 0.00 0.00 0.04 0.00 0.00 52.86 52.95 3hw9 s ASN 35 Cb 0.00 0.15 0.00 0.00 -1.54 0.00 0.00 41.25 39.86 3hw9 s ASN 35 CO 0.00 -0.09 0.00 0.61 -3.04 0.00 0.00 177.10 174.58 3hw9 n GLY 36 N 2.75 -0.10 3.73 1.21 0.00 -0.92 -4.75 105.19 107.11 3hw9 n GLY 36 Ca -0.14 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 3hw9 n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hw9 s ASP 37 N -4.00 7.17 -0.26 1.61 2.15 -1.26 -0.67 116.67 121.40 3hw9 s ASP 37 Ca 0.00 2.12 0.18 0.00 0.43 0.00 0.00 52.55 55.28 3hw9 s ASP 37 Cb 0.00 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.51 3hw9 s ASP 37 CO 0.00 -0.33 1.13 0.23 -0.17 0.00 0.00 175.17 176.04 3hw9 n MET 38 N 2.76 2.24 -2.07 4.34 2.81 0.19 -4.83 117.12 122.57 3hw9 n MET 38 Ca 0.05 -3.67 -0.42 0.00 -1.81 0.00 0.00 57.70 51.85 3hw9 n MET 38 Cb 0.46 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 3hw9 n MET 38 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hw9 s THR 39 N -3.97 2.89 0.08 2.03 2.01 -1.15 -4.36 115.64 113.16 3hw9 s THR 39 Ca 0.34 0.70 -0.05 0.00 0.31 0.00 0.00 61.69 62.98 3hw9 s THR 39 Cb 0.35 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3hw9 s THR 39 CO -0.02 0.09 0.11 -0.72 -0.69 0.00 0.00 174.62 173.39 3hw9 s TYR 40 N 0.42 0.36 0.04 4.92 1.13 -0.97 -0.18 117.35 123.07 3hw9 s TYR 40 Ca 0.62 -0.82 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 3hw9 s TYR 40 Cb -0.40 -0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.23 3hw9 s TYR 40 CO 0.38 -0.50 -0.09 0.00 -2.51 0.00 0.00 175.55 172.83 3hw9 s ALA 41 N -3.91 0.67 0.17 9.51 0.00 0.21 -1.45 121.76 126.97 3hw9 s ALA 41 Ca 0.08 -0.70 0.11 0.00 0.00 0.00 0.00 51.96 51.45 3hw9 s ALA 41 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3hw9 s ALA 41 CO -0.09 0.05 -0.24 1.03 0.00 0.00 0.00 175.76 176.51 3hw9 s ARG 42 N -1.29 1.54 -0.24 0.00 1.81 0.06 0.26 118.95 121.08 3hw9 s ARG 42 Ca -0.06 -1.43 -0.22 0.00 -1.72 0.00 0.00 55.73 52.30 3hw9 s ARG 42 Cb -0.08 -1.90 0.06 0.00 -0.45 0.00 0.00 34.95 32.58 3hw9 s ARG 42 CO 0.01 0.42 0.64 -1.17 -0.68 0.00 0.00 175.30 174.52 3hw9 s LEU 43 N -2.46 -0.49 0.00 2.53 2.96 -0.99 -2.58 118.68 117.66 3hw9 s LEU 43 Ca 0.19 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 3hw9 s LEU 43 Cb -0.09 2.21 0.00 0.00 0.50 0.00 0.00 46.19 48.81 3hw9 s LEU 43 CO 0.09 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3hw9 n GLY 44 N 2.85 0.33 3.31 7.98 0.00 -0.77 -0.38 105.19 118.51 3hw9 n GLY 44 Ca -0.14 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3hw9 n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hw9 s PHE 45 N -2.00 1.92 -0.35 1.61 -0.12 -0.72 -0.78 117.98 117.54 3hw9 s PHE 45 Ca 0.00 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 3hw9 s PHE 45 Cb 0.00 -1.06 0.11 0.00 -0.63 0.00 0.00 43.02 41.45 3hw9 s PHE 45 CO 0.00 0.22 0.15 0.21 -0.05 0.00 0.00 175.22 175.75 3hw9 s LYS 46 N -1.86 0.85 0.16 1.99 2.20 0.57 -1.22 119.74 122.44 3hw9 s LYS 46 Ca 0.08 -1.36 0.04 0.00 -0.36 0.00 0.00 55.97 54.37 3hw9 s LYS 46 Cb -0.10 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 3hw9 s LYS 46 CO 0.04 -1.06 0.20 0.20 -0.36 0.00 0.00 175.35 174.37 3hw9 s GLY 47 N 1.20 1.69 -0.18 5.54 0.00 -0.90 -2.15 107.32 112.52 3hw9 s GLY 47 Ca 0.13 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 43.60 3hw9 s GLY 47 CO -0.15 -1.16 0.44 1.85 0.00 0.00 0.00 173.10 174.08 3hw9 s GLU 48 N -3.20 0.43 -0.05 2.90 2.12 -0.36 -2.46 118.70 118.08 3hw9 s GLU 48 Ca 0.32 0.83 0.03 0.00 0.36 0.00 0.00 54.97 56.51 3hw9 s GLU 48 Cb -0.10 -0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.29 3hw9 s GLU 48 CO 0.26 -0.15 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.61 3hw9 s THR 49 N 1.39 1.12 -0.41 -1.70 -1.32 0.11 -0.89 115.64 113.94 3hw9 s THR 49 Ca -0.09 -0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 59.62 3hw9 s THR 49 Cb -0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 3hw9 s THR 49 CO -0.13 0.34 0.89 -1.10 -2.21 0.00 0.00 174.62 172.41 3hw9 s GLN 50 N 0.34 3.68 -0.05 7.08 -0.21 -0.51 -0.70 119.66 129.29 3hw9 s GLN 50 Ca -0.08 0.33 -0.23 0.00 0.02 0.00 0.00 55.36 55.40 3hw9 s GLN 50 Cb -0.12 -3.86 -0.29 0.00 1.00 0.00 0.00 33.01 29.74 3hw9 s GLN 50 CO 0.02 -1.04 0.92 0.82 -2.12 0.00 0.00 175.29 173.89 3hw9 h ILE 51 N 5.91 1.55 -1.30 1.08 2.04 -1.83 -3.47 117.51 121.49 3hw9 h ILE 51 Ca -0.24 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.24 3hw9 h ILE 51 Cb 1.08 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 3hw9 h ILE 51 CO 0.98 0.66 0.00 -0.46 0.00 0.00 0.00 178.15 179.34 3hw9 n ASN 52 N -4.26 0.00 0.25 1.72 0.23 -1.09 -5.00 115.26 107.11 3hw9 n ASN 52 Ca -0.12 -0.30 0.14 0.00 -0.53 0.00 0.00 54.58 53.76 3hw9 n ASN 52 Cb 0.71 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.92 3hw9 n ASN 52 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3hw9 h SER 53 N 0.00 0.00 0.00 0.53 0.02 -2.03 -3.32 113.55 108.75 3hw9 h SER 53 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3hw9 h SER 53 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3hw9 h SER 53 CO 0.00 0.08 -1.57 0.47 -1.14 0.00 0.00 176.83 174.67 3hw9 n ASP 54 N -3.19 2.98 -4.77 3.07 8.00 -1.26 -4.97 116.55 116.41 3hw9 n ASP 54 Ca 0.01 -0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.15 3hw9 n ASP 54 Cb 0.40 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 42.04 3hw9 n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hw9 s LEU 55 N -4.70 3.97 -0.03 0.64 2.96 -1.25 0.09 118.68 120.36 3hw9 s LEU 55 Ca -0.05 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3hw9 s LEU 55 Cb 0.03 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.80 3hw9 s LEU 55 CO 0.33 0.38 0.06 -0.89 -1.32 0.00 0.00 176.35 174.91 3hw9 s THR 56 N -0.88 -0.06 0.02 3.68 2.01 0.00 -2.47 115.64 117.96 3hw9 s THR 56 Ca 0.13 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3hw9 s THR 56 Cb -0.12 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3hw9 s THR 56 CO 0.03 0.09 0.06 -0.83 -0.69 0.00 0.00 174.62 173.28 3hw9 s GLY 57 N 1.09 1.99 0.18 4.40 0.00 0.13 -0.41 107.32 114.70 3hw9 s GLY 57 Ca -0.09 -0.94 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 3hw9 s GLY 57 CO -0.04 -0.85 0.28 -2.52 0.00 0.00 0.00 173.10 169.98 3hw9 s TYR 58 N -1.23 0.52 -0.29 1.90 -0.85 0.24 0.05 117.35 117.70 3hw9 s TYR 58 Ca 0.24 -0.87 -0.15 0.00 -0.52 0.00 0.00 57.07 55.77 3hw9 s TYR 58 Cb -0.12 -0.11 0.11 0.00 0.38 0.00 0.00 41.96 42.22 3hw9 s TYR 58 CO 0.16 -0.74 0.79 0.20 -1.52 0.00 0.00 175.55 174.43 3hw9 s GLY 59 N -3.01 -0.44 -0.02 5.49 0.00 -1.03 -1.01 107.32 107.30 3hw9 s GLY 59 Ca 0.21 2.67 0.05 0.00 0.00 0.00 0.00 44.72 47.65 3hw9 s GLY 59 CO 0.03 2.61 -0.18 1.62 0.00 0.00 0.00 173.10 177.18 3hw9 s GLN 60 N 1.78 1.58 0.02 2.90 0.74 -0.11 -2.12 119.66 124.45 3hw9 s GLN 60 Ca -0.09 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.72 3hw9 s GLN 60 Cb -0.06 -1.46 -0.01 0.00 1.10 0.00 0.00 33.01 32.58 3hw9 s GLN 60 CO -0.18 0.33 -0.09 -0.46 -0.55 0.00 0.00 175.29 174.35 3hw9 s TRP 61 N -0.25 0.77 -0.12 1.67 -0.00 -0.35 -1.84 118.94 118.81 3hw9 s TRP 61 Ca 0.03 -0.29 -0.09 0.00 -0.00 0.00 0.00 56.10 55.75 3hw9 s TRP 61 Cb -0.09 -0.47 0.04 0.00 -0.00 0.00 0.00 33.47 32.95 3hw9 s TRP 61 CO 0.00 -0.02 0.30 -2.00 -0.00 0.00 0.00 176.95 175.23 3hw9 s GLU 62 N -0.83 0.32 0.05 5.86 2.12 -0.03 -1.75 118.70 124.44 3hw9 s GLU 62 Ca -0.02 0.48 0.05 0.00 0.36 0.00 0.00 54.97 55.85 3hw9 s GLU 62 Cb -0.06 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3hw9 s GLU 62 CO 0.00 -0.08 -0.15 -0.47 -0.54 0.00 0.00 175.26 174.02 3hw9 s TYR 63 N 0.54 1.33 -0.22 5.30 5.04 0.49 -0.34 117.35 129.49 3hw9 s TYR 63 Ca -0.03 -0.38 -0.04 0.00 -2.44 0.00 0.00 57.07 54.17 3hw9 s TYR 63 Cb -0.05 -0.78 -0.01 0.00 0.35 0.00 0.00 41.96 41.47 3hw9 s TYR 63 CO -0.03 0.06 -0.02 1.21 -1.34 0.00 0.00 175.55 175.43 3hw9 s ASN 64 N -1.33 4.48 -0.20 4.32 2.47 0.09 -2.33 114.94 122.44 3hw9 s ASN 64 Ca 0.02 -0.35 -0.05 0.00 0.42 0.00 0.00 52.86 52.90 3hw9 s ASN 64 Cb -0.09 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.91 3hw9 s ASN 64 CO 0.02 -0.01 0.00 -0.36 -3.72 0.00 0.00 177.10 173.02 3hw9 s PHE 65 N 1.45 3.05 -0.21 0.43 0.08 0.14 -2.56 117.98 120.37 3hw9 s PHE 65 Ca 0.05 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 3hw9 s PHE 65 Cb -0.14 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 3hw9 s PHE 65 CO -0.02 -0.20 0.53 -0.65 -0.10 0.00 0.00 175.22 174.78 3hw9 s GLN 66 N 0.91 4.17 -0.04 0.44 -1.52 -1.26 0.68 119.66 123.04 3hw9 s GLN 66 Ca 0.01 0.41 0.19 0.00 -1.95 0.00 0.00 55.36 54.03 3hw9 s GLN 66 Cb -0.14 -3.58 0.62 0.00 -0.22 0.00 0.00 33.01 29.69 3hw9 s GLN 66 CO 0.02 -0.19 1.53 0.41 -0.25 0.00 0.00 175.29 176.80 3hw9 n GLY 67 N 3.97 2.68 1.58 3.09 0.00 0.75 -4.24 105.19 113.01 3hw9 n GLY 67 Ca -0.04 -0.76 0.09 0.00 0.00 0.00 0.00 46.02 45.31 3hw9 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hw9 n ASN 68 N 1.25 4.76 -4.91 1.61 6.94 -0.97 -4.72 115.26 119.23 3hw9 n ASN 68 Ca 0.23 -2.45 -0.21 0.00 -0.02 0.00 0.00 54.58 52.13 3hw9 n ASN 68 Cb 0.69 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 3hw9 n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3hw9 s ASN 69 N -0.93 5.70 0.80 0.53 0.01 -1.26 -5.00 114.94 114.78 3hw9 s ASN 69 Ca 0.51 -0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 52.31 3hw9 s ASN 69 Cb 0.33 -1.27 0.12 0.00 0.41 0.00 0.00 41.25 40.84 3hw9 s ASN 69 CO 0.24 -0.27 1.12 -0.94 -1.51 0.00 0.00 177.10 175.74 3hw9 s SER 70 N -4.02 4.13 0.00 -1.22 1.04 -1.26 -4.99 113.70 107.39 3hw9 s SER 70 Ca 0.40 0.21 0.18 0.00 0.48 0.00 0.00 55.95 57.21 3hw9 s SER 70 Cb -0.08 -0.59 0.59 0.00 0.10 0.00 0.00 66.02 66.04 3hw9 s SER 70 CO 0.28 -2.05 1.45 -0.62 0.98 0.00 0.00 173.24 173.28 3hw9 n GLU 71 N -3.19 1.80 0.00 4.02 1.02 -1.26 -3.89 120.64 119.13 3hw9 n GLU 71 Ca 0.12 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 3hw9 n GLU 71 Cb 0.60 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3hw9 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hw9 n GLY 72 N 1.13 0.66 0.15 0.62 0.00 -1.26 -4.88 105.19 101.60 3hw9 n GLY 72 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3hw9 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw9 h ALA 73 N -1.73 0.17 -0.52 4.61 0.00 -2.04 -3.30 119.26 116.45 3hw9 h ALA 73 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 54.91 53.82 3hw9 h ALA 73 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 3hw9 h ALA 73 CO 0.00 0.82 0.40 -0.40 0.00 0.00 0.00 179.25 180.07 3hw9 n ASP 74 N -3.69 4.92 0.20 0.00 5.75 -1.26 -4.50 116.55 117.97 3hw9 n ASP 74 Ca -0.09 -2.97 0.14 0.00 -0.01 0.00 0.00 54.79 51.85 3hw9 n ASP 74 Cb 0.94 -0.86 0.42 0.00 -1.03 0.00 0.00 41.12 40.59 3hw9 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hw9 h ALA 75 N 1.50 1.00 -0.26 2.12 0.00 -1.67 -3.25 119.26 118.70 3hw9 h ALA 75 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hw9 h ALA 75 Cb 1.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3hw9 h ALA 75 CO 0.69 0.00 -0.00 1.04 0.00 0.00 0.00 179.25 180.98 3hw9 n GLN 76 N -2.78 2.64 -2.50 0.00 1.13 -1.26 -4.93 117.38 109.67 3hw9 n GLN 76 Ca 0.03 -2.87 -0.43 0.00 -1.94 0.00 0.00 57.00 51.79 3hw9 n GLN 76 Cb 0.40 -1.82 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 3hw9 n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3hw9 s THR 77 N -2.90 4.17 0.00 5.09 2.01 -1.23 -3.29 115.64 119.50 3hw9 s THR 77 Ca 0.42 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.68 3hw9 s THR 77 Cb 0.35 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3hw9 s THR 77 CO 0.07 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 3hw9 n GLY 78 N 4.60 0.69 3.59 4.40 0.00 -1.26 -4.70 105.19 112.51 3hw9 n GLY 78 Ca 0.14 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hw9 n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hw9 s ASN 79 N -2.02 6.40 0.25 1.61 -0.87 -1.21 -4.49 114.94 114.61 3hw9 s ASN 79 Ca 0.00 0.29 -0.18 0.00 -1.57 0.00 0.00 52.86 51.40 3hw9 s ASN 79 Cb 0.00 -2.29 0.02 0.00 -0.02 0.00 0.00 41.25 38.96 3hw9 s ASN 79 CO 0.00 -0.41 0.61 -1.59 -2.57 0.00 0.00 177.10 173.14 3hw9 s LYS 80 N 2.42 1.64 -0.15 -0.60 0.00 -1.06 -5.02 119.74 116.97 3hw9 s LYS 80 Ca 0.21 -1.03 -0.21 0.00 0.00 0.00 0.00 55.97 54.94 3hw9 s LYS 80 Cb -0.15 0.55 -0.03 0.00 0.00 0.00 0.00 37.83 38.20 3hw9 s LYS 80 CO 0.11 -0.72 0.63 0.99 0.00 0.00 0.00 175.35 176.36 3hw9 s THR 81 N -3.94 5.05 -0.14 3.79 2.01 -1.26 -0.73 115.64 120.42 3hw9 s THR 81 Ca 0.14 1.24 -0.13 0.00 0.31 0.00 0.00 61.69 63.25 3hw9 s THR 81 Cb -0.03 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 3hw9 s THR 81 CO 0.05 0.18 0.10 0.03 -0.69 0.00 0.00 174.62 174.30 3hw9 h ARG 82 N 7.14 0.00 -5.95 4.92 3.08 -1.03 -3.48 114.38 119.07 3hw9 h ARG 82 Ca -0.36 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.11 3hw9 h ARG 82 Cb 1.16 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.93 3hw9 h ARG 82 CO 0.77 0.37 -0.85 -0.51 -1.07 0.00 0.00 179.97 178.69 3hw9 s LEU 83 N -8.23 2.08 -0.36 3.04 1.43 -1.12 -4.76 118.68 110.76 3hw9 s LEU 83 Ca -0.15 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 3hw9 s LEU 83 Cb 0.02 -1.00 0.19 0.00 0.03 0.00 0.00 46.19 45.43 3hw9 s LEU 83 CO 0.32 0.22 0.61 0.00 0.23 0.00 0.00 176.35 177.72 3hw9 s ALA 84 N -0.56 -2.37 0.07 4.21 0.00 -0.73 -0.85 121.76 121.53 3hw9 s ALA 84 Ca 0.07 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 3hw9 s ALA 84 Cb -0.08 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 20.42 3hw9 s ALA 84 CO -0.00 -2.05 0.37 -0.59 0.00 0.00 0.00 175.76 173.49 3hw9 s PHE 85 N 2.27 -0.17 -0.01 0.00 -0.12 -0.77 0.44 117.98 119.62 3hw9 s PHE 85 Ca 0.13 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 3hw9 s PHE 85 Cb -0.07 0.18 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 3hw9 s PHE 85 CO -0.15 -0.60 -0.03 0.00 -0.05 0.00 0.00 175.22 174.39 3hw9 s ALA 86 N -3.06 0.33 0.33 1.99 0.00 -1.09 -0.94 121.76 119.33 3hw9 s ALA 86 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 3hw9 s ALA 86 Cb 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3hw9 s ALA 86 CO -0.07 0.04 0.58 0.20 0.00 0.00 0.00 175.76 176.52 3hw9 s GLY 87 N 0.23 0.83 -0.04 0.00 0.00 -0.18 -2.75 107.32 105.41 3hw9 s GLY 87 Ca -0.02 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3hw9 s GLY 87 CO -0.00 -0.65 -0.12 1.08 0.00 0.00 0.00 173.10 173.40 3hw9 s LEU 88 N -3.11 1.79 -0.11 0.66 1.43 0.55 -0.59 118.68 119.30 3hw9 s LEU 88 Ca 0.23 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3hw9 s LEU 88 Cb -0.02 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 3hw9 s LEU 88 CO 0.14 0.09 -0.18 -1.59 0.23 0.00 0.00 176.35 175.04 3hw9 s LYS 89 N 0.24 3.20 -0.43 1.70 -2.85 0.46 -0.89 119.74 121.16 3hw9 s LYS 89 Ca -0.06 -0.77 0.04 0.00 -1.00 0.00 0.00 55.97 54.18 3hw9 s LYS 89 Cb -0.11 -2.47 0.12 0.00 -2.06 0.00 0.00 37.83 33.30 3hw9 s LYS 89 CO 0.02 0.22 0.16 -0.47 0.10 0.00 0.00 175.35 175.38 3hw9 s TYR 90 N 0.30 3.30 0.00 1.78 5.04 -0.83 -0.82 117.35 126.12 3hw9 s TYR 90 Ca -0.13 -3.00 0.00 0.00 -2.44 0.00 0.00 57.07 51.49 3hw9 s TYR 90 Cb -0.17 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.38 3hw9 s TYR 90 CO 0.07 -0.84 0.00 0.00 -1.34 0.00 0.00 175.55 173.44 3hw9 n ALA 91 N 3.68 0.00 -1.50 3.97 0.00 0.11 -1.27 120.51 125.51 3hw9 n ALA 91 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3hw9 n ALA 91 Cb 0.37 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.88 3hw9 n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hw9 n ASP 92 N 3.21 7.24 -0.05 0.00 8.00 -1.26 -4.40 116.55 129.28 3hw9 n ASP 92 Ca 0.00 -3.79 -0.10 0.00 0.71 0.00 0.00 54.79 51.61 3hw9 n ASP 92 Cb 0.00 -0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 3hw9 n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hw9 n VAL 93 N -0.85 0.60 0.00 2.53 0.31 -0.39 -4.27 118.33 116.25 3hw9 n VAL 93 Ca 0.59 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 3hw9 n VAL 93 Cb 0.67 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3hw9 n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hw9 n GLY 94 N 2.52 2.19 3.30 2.92 0.00 -1.23 -4.80 105.19 110.09 3hw9 n GLY 94 Ca -0.21 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3hw9 n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw9 s SER 95 N 0.00 3.45 -0.07 1.61 1.04 0.71 -1.96 113.70 118.48 3hw9 s SER 95 Ca 0.00 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.03 3hw9 s SER 95 Cb 0.00 -1.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.79 3hw9 s SER 95 CO 0.00 0.19 -0.23 0.12 0.98 0.00 0.00 173.24 174.30 3hw9 s PHE 96 N 0.17 2.34 -0.01 5.02 5.36 -0.07 -0.22 117.98 130.58 3hw9 s PHE 96 Ca -0.11 -0.80 -0.09 0.00 -0.96 0.00 0.00 56.93 54.97 3hw9 s PHE 96 Cb -0.16 -1.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.97 3hw9 s PHE 96 CO 0.06 -0.28 0.18 0.16 -1.46 0.00 0.00 175.22 173.88 3hw9 s ASP 97 N 0.07 -0.04 0.02 6.13 1.47 -0.56 -0.33 116.67 123.42 3hw9 s ASP 97 Ca -0.09 -0.10 0.02 0.00 1.18 0.00 0.00 52.55 53.56 3hw9 s ASP 97 Cb -0.15 0.24 -0.01 0.00 -0.34 0.00 0.00 42.92 42.66 3hw9 s ASP 97 CO 0.05 -0.37 -0.07 -0.47 0.68 0.00 0.00 175.17 175.00 3hw9 s TYR 98 N -1.27 0.58 -3.22 2.11 5.04 -1.11 -1.08 117.35 118.40 3hw9 s TYR 98 Ca -0.13 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3hw9 s TYR 98 Cb -0.07 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 41.88 3hw9 s TYR 98 CO 0.02 -0.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 3hw9 n GLY 99 N 2.30 0.54 3.59 8.97 0.00 -1.16 -2.65 105.19 116.78 3hw9 n GLY 99 Ca -0.17 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3hw9 n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hw9 s ARG 100 N -2.00 3.81 0.22 1.61 3.52 0.17 -1.87 118.95 124.41 3hw9 s ARG 100 Ca 0.00 0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.70 3hw9 s ARG 100 Cb 0.00 -3.76 -0.00 0.00 -1.56 0.00 0.00 34.95 29.63 3hw9 s ARG 100 CO 0.00 -0.65 0.41 1.21 -0.81 0.00 0.00 175.30 175.47 3hw9 s ASN 101 N 1.70 -0.06 0.52 -2.12 3.84 -0.81 -1.78 114.94 116.23 3hw9 s ASN 101 Ca 0.25 -0.88 -0.22 0.00 0.21 0.00 0.00 52.86 52.22 3hw9 s ASN 101 Cb -0.15 0.53 -0.06 0.00 -0.55 0.00 0.00 41.25 41.03 3hw9 s ASN 101 CO 0.13 -1.04 1.31 -0.31 -2.79 0.00 0.00 177.10 174.39 3hw9 s TYR 102 N -3.99 2.44 0.83 0.43 2.02 -1.26 -1.62 117.35 116.20 3hw9 s TYR 102 Ca 0.20 1.42 -0.12 0.00 -0.37 0.00 0.00 57.07 58.20 3hw9 s TYR 102 Cb 0.01 -3.69 0.09 0.00 -0.40 0.00 0.00 41.96 37.97 3hw9 s TYR 102 CO 0.05 -2.53 1.11 0.20 -1.57 0.00 0.00 175.55 172.82 3hw9 s GLY 103 N -1.06 1.61 0.42 0.71 0.00 -0.06 -4.87 107.32 104.07 3hw9 s GLY 103 Ca 0.69 -0.31 0.22 0.00 0.00 0.00 0.00 44.72 45.32 3hw9 s GLY 103 CO 0.44 0.15 1.78 -0.39 0.00 0.00 0.00 173.10 175.08 3hw9 h VAL 104 N -1.19 0.63 0.00 1.40 -1.51 -1.89 -2.87 116.25 110.82 3hw9 h VAL 104 Ca -0.48 -1.28 -0.06 0.00 -1.23 0.00 0.00 66.70 63.66 3hw9 h VAL 104 Cb 1.29 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 3hw9 h VAL 104 CO 0.60 0.27 -0.29 0.58 -1.23 0.00 0.00 177.57 177.50 3hw9 h VAL 105 N 0.00 0.59 0.00 7.19 2.07 -1.73 -2.95 116.25 121.43 3hw9 h VAL 105 Ca -0.00 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3hw9 h VAL 105 Cb 0.83 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3hw9 h VAL 105 CO 0.04 0.28 -0.15 0.22 0.02 0.00 0.00 177.57 177.98 3hw9 h TYR 106 N 0.00 0.00 -0.01 1.57 3.20 -1.46 -1.95 116.97 118.33 3hw9 h TYR 106 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hw9 h TYR 106 Cb 0.96 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 3hw9 h TYR 106 CO 0.00 0.15 0.01 -0.44 -1.64 0.00 0.00 178.16 176.24 3hw9 h ASP 107 N 0.00 0.00 0.17 -2.11 3.32 -1.62 0.53 116.42 116.70 3hw9 h ASP 107 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 3hw9 h ASP 107 Cb 0.47 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 3hw9 h ASP 107 CO 0.02 0.00 -2.14 0.00 -1.72 0.00 0.00 179.24 175.40 3hw9 n ALA 108 N -2.35 1.38 0.50 3.45 0.00 -0.87 -4.41 120.51 118.21 3hw9 n ALA 108 Ca -0.03 -1.00 0.13 0.00 0.00 0.00 0.00 53.44 52.54 3hw9 n ALA 108 Cb 0.09 -0.45 0.35 0.00 0.00 0.00 0.00 19.45 19.44 3hw9 n ALA 108 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hw9 h LEU 109 N 0.01 0.00 0.00 0.00 3.38 -0.69 -3.14 115.31 114.87 3hw9 h LEU 109 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hw9 h LEU 109 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 3hw9 h LEU 109 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3hw9 n GLY 110 N 1.17 -0.92 0.17 0.83 0.00 0.18 -3.04 105.19 103.59 3hw9 n GLY 110 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3hw9 n GLY 110 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hw9 h TYR 111 N 0.00 0.64 -0.01 1.61 -1.99 -1.80 -3.32 116.97 112.10 3hw9 h TYR 111 Ca 0.00 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.53 3hw9 h TYR 111 Cb 0.17 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.77 3hw9 h TYR 111 CO 0.00 0.90 -0.75 0.25 -0.00 0.00 0.00 178.16 178.56 3hw9 n THR 112 N -4.39 0.00 -2.13 -2.88 -2.24 -1.20 -4.68 114.28 96.77 3hw9 n THR 112 Ca -0.05 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3hw9 n THR 112 Cb 0.44 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3hw9 n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hw9 n ASP 113 N -0.80 4.45 0.00 3.42 2.03 -1.17 -4.34 116.55 120.14 3hw9 n ASP 113 Ca 0.06 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.45 3hw9 n ASP 113 Cb 0.40 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 3hw9 n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3hw9 n MET 114 N 6.10 0.24 -2.57 -0.67 2.81 -1.26 -4.95 117.12 116.81 3hw9 n MET 114 Ca 0.48 -0.55 -0.34 0.00 -1.81 0.00 0.00 57.70 55.47 3hw9 n MET 114 Cb 0.40 -0.54 -0.04 0.00 -0.71 0.00 0.00 33.22 32.33 3hw9 n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hw9 s LEU 115 N -0.08 3.92 0.30 4.03 1.43 -1.26 -4.96 118.68 122.06 3hw9 s LEU 115 Ca 0.00 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 3hw9 s LEU 115 Cb 0.00 -4.48 0.76 0.00 0.03 0.00 0.00 46.19 42.50 3hw9 s LEU 115 CO 0.00 -0.68 1.69 -0.65 0.23 0.00 0.00 176.35 176.94 3hw9 h PRO 116 N 1.80 0.35 0.00 1.29 0.11 -1.96 -3.39 132.00 130.20 3hw9 h PRO 116 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hw9 h PRO 116 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hw9 h PRO 116 CO 0.60 0.23 -0.15 -1.91 -0.21 0.00 0.00 178.00 176.56 3hw9 n GLU 117 N -5.07 0.00 0.00 1.05 4.07 -1.26 -5.06 120.64 114.37 3hw9 n GLU 117 Ca 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 3hw9 n GLU 117 Cb 0.69 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 3hw9 n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3hw9 n PHE 118 N -3.04 0.00 0.00 4.31 3.72 -1.26 -5.06 117.46 116.12 3hw9 n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hw9 n PHE 118 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3hw9 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hw9 n GLY 119 N 5.00 -1.10 3.68 1.37 0.00 -1.26 -4.31 105.19 108.56 3hw9 n GLY 119 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 3hw9 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw9 n GLY 120 N -1.16 -0.37 0.19 -0.02 0.00 -1.26 -4.90 105.19 97.66 3hw9 n GLY 120 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3hw9 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hw9 h ASP 121 N -2.01 0.00 0.94 1.61 5.19 -1.98 -2.79 116.42 117.38 3hw9 h ASP 121 Ca -0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 3hw9 h ASP 121 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3hw9 h ASP 121 CO 0.57 0.38 -0.21 0.35 -3.12 0.00 0.00 179.24 177.21 3hw9 n THR 122 N -3.94 0.16 -2.11 0.35 -2.24 -1.26 -4.40 114.28 100.84 3hw9 n THR 122 Ca -0.02 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3hw9 n THR 122 Cb 0.43 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3hw9 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hw9 n ALA 123 N -1.60 5.31 -2.14 6.98 0.00 -1.06 -4.86 120.51 123.14 3hw9 n ALA 123 Ca 0.06 -4.10 -0.41 0.00 0.00 0.00 0.00 53.44 48.98 3hw9 n ALA 123 Cb 0.37 -3.25 -0.04 0.00 0.00 0.00 0.00 19.45 16.52 3hw9 n ALA 123 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hw9 s TYR 124 N 1.82 3.63 0.34 0.00 2.02 -1.26 -4.71 117.35 119.19 3hw9 s TYR 124 Ca 0.44 1.62 -0.27 0.00 -0.37 0.00 0.00 57.07 58.49 3hw9 s TYR 124 Cb 0.11 -3.23 -0.09 0.00 -0.40 0.00 0.00 41.96 38.34 3hw9 s TYR 124 CO -0.03 -0.46 1.07 -1.12 -1.57 0.00 0.00 175.55 173.43 3hw9 s SER 125 N 0.02 7.03 -1.31 2.29 0.01 -1.26 -2.82 113.70 117.65 3hw9 s SER 125 Ca 0.50 2.14 -0.01 0.00 1.31 0.00 0.00 55.95 59.88 3hw9 s SER 125 Cb -0.28 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.35 3hw9 s SER 125 CO 0.33 -0.31 0.75 0.47 0.41 0.00 0.00 173.24 174.89 3hw9 n ASP 126 N 0.57 -1.53 -3.34 2.44 8.00 0.74 -4.91 116.55 118.51 3hw9 n ASP 126 Ca 0.02 -0.80 -0.26 0.00 0.71 0.00 0.00 54.79 54.46 3hw9 n ASP 126 Cb 0.47 -4.14 -0.09 0.00 -0.02 0.00 0.00 41.12 37.34 3hw9 n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hw9 n ASP 127 N -3.05 0.67 0.00 -2.24 2.03 -1.24 -4.53 116.55 108.19 3hw9 n ASP 127 Ca -0.27 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.31 3hw9 n ASP 127 Cb 0.67 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 3hw9 n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hw9 n PHE 128 N 1.84 0.00 -0.16 -0.67 3.72 -1.26 -2.53 117.46 118.40 3hw9 n PHE 128 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 3hw9 n PHE 128 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3hw9 n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hw9 n PHE 129 N 0.00 0.00 0.11 1.38 3.72 -1.26 -4.86 117.46 116.55 3hw9 n PHE 129 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3hw9 n PHE 129 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 3hw9 n PHE 129 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3hw9 h VAL 130 N 0.16 1.29 -0.43 -4.37 -1.51 -1.76 -2.29 116.25 107.33 3hw9 h VAL 130 Ca 0.00 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 3hw9 h VAL 130 Cb 0.08 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 3hw9 h VAL 130 CO 0.00 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 177.67 3hw9 n GLY 131 N 1.17 5.43 3.65 5.19 0.00 -1.13 -3.94 105.19 115.57 3hw9 n GLY 131 Ca 0.01 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3hw9 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw9 s ARG 132 N 1.73 4.11 0.04 1.61 0.52 -1.26 -0.88 118.95 124.82 3hw9 s ARG 132 Ca 0.00 1.57 0.05 0.00 -0.52 0.00 0.00 55.73 56.83 3hw9 s ARG 132 Cb 0.00 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 3hw9 s ARG 132 CO 0.00 -0.87 -0.14 0.14 0.02 0.00 0.00 175.30 174.45 3hw9 s VAL 133 N 3.87 1.12 0.12 3.52 -7.23 -0.64 -0.18 120.40 120.98 3hw9 s VAL 133 Ca 0.57 -1.02 -0.15 0.00 -1.81 0.00 0.00 61.98 59.57 3hw9 s VAL 133 Cb -0.21 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 3hw9 s VAL 133 CO 0.18 -0.01 0.53 -0.83 -0.31 0.00 0.00 175.10 174.67 3hw9 s GLY 134 N -1.17 2.50 -0.29 2.32 0.00 -1.26 -1.93 107.32 107.49 3hw9 s GLY 134 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.62 3hw9 s GLY 134 CO 0.01 0.20 0.25 0.61 0.00 0.00 0.00 173.10 174.17 3hw9 n GLY 135 N 1.08 0.27 3.23 0.20 0.00 -0.88 -4.68 105.19 104.42 3hw9 n GLY 135 Ca -0.07 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 3hw9 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hw9 s VAL 136 N -3.09 2.23 -0.63 1.61 -7.23 -0.78 -0.55 120.40 111.95 3hw9 s VAL 136 Ca 0.02 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 59.08 3hw9 s VAL 136 Cb -0.00 -1.88 0.14 0.00 0.56 0.00 0.00 36.38 35.20 3hw9 s VAL 136 CO 0.18 0.55 0.64 0.00 -0.31 0.00 0.00 175.10 176.16 3hw9 s ALA 137 N 0.52 3.66 -0.25 1.32 0.00 -0.84 -2.99 121.76 123.19 3hw9 s ALA 137 Ca -0.13 -2.63 -0.12 0.00 0.00 0.00 0.00 51.96 49.08 3hw9 s ALA 137 Cb -0.17 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3hw9 s ALA 137 CO 0.05 -2.21 0.21 0.99 0.00 0.00 0.00 175.76 174.80 3hw9 s THR 138 N 1.65 5.32 -0.19 0.00 2.01 -0.24 -1.82 115.64 122.36 3hw9 s THR 138 Ca 0.10 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 3hw9 s THR 138 Cb -0.23 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 3hw9 s THR 138 CO 0.01 0.30 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.75 3hw9 s TYR 139 N 1.32 3.01 -0.03 4.92 5.04 0.59 -1.50 117.35 130.70 3hw9 s TYR 139 Ca 0.09 -0.52 0.06 0.00 -2.44 0.00 0.00 57.07 54.26 3hw9 s TYR 139 Cb -0.14 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 3hw9 s TYR 139 CO 0.07 -0.26 -0.22 1.03 -1.34 0.00 0.00 175.55 174.83 3hw9 s ARG 140 N 0.94 1.94 -0.04 4.97 0.52 0.70 -0.58 118.95 127.41 3hw9 s ARG 140 Ca 0.01 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3hw9 s ARG 140 Cb -0.14 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 3hw9 s ARG 140 CO 0.01 0.41 -0.25 1.21 0.02 0.00 0.00 175.30 176.70 3hw9 s ASN 141 N -0.33 3.03 -0.14 0.23 3.84 -0.08 -0.21 114.94 121.28 3hw9 s ASN 141 Ca 0.03 -0.48 -0.01 0.00 0.21 0.00 0.00 52.86 52.61 3hw9 s ASN 141 Cb -0.10 -0.54 -0.01 0.00 -0.55 0.00 0.00 41.25 40.04 3hw9 s ASN 141 CO 0.01 0.29 -0.11 -0.44 -2.79 0.00 0.00 177.10 174.05 3hw9 s SER 142 N -0.42 4.09 -1.48 -4.21 0.01 -1.26 -2.94 113.70 107.49 3hw9 s SER 142 Ca 0.04 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 3hw9 s SER 142 Cb -0.11 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.50 3hw9 s SER 142 CO 0.01 0.14 0.45 0.59 0.41 0.00 0.00 173.24 174.84 3hw9 n ASN 143 N 3.69 -5.37 -3.60 2.44 3.02 -1.12 -3.26 115.26 111.05 3hw9 n ASN 143 Ca -0.18 -0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 53.93 3hw9 n ASN 143 Cb 0.52 -4.39 0.01 0.00 -0.61 0.00 0.00 39.78 35.31 3hw9 n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3hw9 n PHE 144 N -4.22 -2.34 -2.03 3.10 7.35 -0.24 -0.66 117.46 118.42 3hw9 n PHE 144 Ca -0.11 0.95 -0.19 0.00 -0.76 0.00 0.00 57.45 57.33 3hw9 n PHE 144 Cb 0.61 -2.93 -0.04 0.00 0.35 0.00 0.00 39.48 37.47 3hw9 n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3hw9 n PHE 145 N -2.10 -0.63 -2.80 -5.13 3.72 -1.22 -2.25 117.46 107.04 3hw9 n PHE 145 Ca -0.22 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.09 3hw9 n PHE 145 Cb 0.65 -3.56 0.03 0.00 -0.94 0.00 0.00 39.48 35.66 3hw9 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hw9 n GLY 146 N -0.71 0.28 1.24 1.37 0.00 -0.82 -4.77 105.19 101.78 3hw9 n GLY 146 Ca -0.21 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hw9 n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw9 n LEU 147 N -2.26 0.16 -4.26 0.99 4.77 0.17 -5.04 117.00 111.53 3hw9 n LEU 147 Ca -0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.59 3hw9 n LEU 147 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 3hw9 n LEU 147 CO 0.25 -0.13 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.13 3hw9 s VAL 148 N -1.97 3.32 0.19 4.08 1.01 -0.70 -5.03 120.40 121.30 3hw9 s VAL 148 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 3hw9 s VAL 148 Cb 0.00 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 3hw9 s VAL 148 CO 0.00 0.16 1.41 -1.81 0.00 0.00 0.00 175.10 174.87 3hw9 s ASP 149 N 1.40 6.75 0.00 3.32 1.01 -1.26 -3.11 116.67 124.78 3hw9 s ASP 149 Ca 0.01 2.51 0.00 0.00 0.71 0.00 0.00 52.55 55.78 3hw9 s ASP 149 Cb -0.17 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3hw9 s ASP 149 CO -0.02 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.31 3hw9 n GLY 150 N 2.79 2.99 3.54 0.21 0.00 -1.26 -4.85 105.19 108.61 3hw9 n GLY 150 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3hw9 n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hw9 s LEU 151 N 0.00 3.54 0.01 0.99 2.96 -1.18 -2.92 118.68 122.07 3hw9 s LEU 151 Ca 0.00 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3hw9 s LEU 151 Cb 0.00 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3hw9 s LEU 151 CO 0.00 -1.61 -0.14 0.20 -1.32 0.00 0.00 176.35 173.48 3hw9 s ASN 152 N 3.40 4.08 0.01 3.68 0.01 0.78 -1.08 114.94 125.83 3hw9 s ASN 152 Ca 0.35 -0.29 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 3hw9 s ASN 152 Cb -0.10 -0.80 -0.01 0.00 0.41 0.00 0.00 41.25 40.76 3hw9 s ASN 152 CO 0.18 0.28 0.01 0.72 -1.51 0.00 0.00 177.10 176.78 3hw9 s PHE 153 N -0.90 0.14 0.09 2.20 -0.71 -1.15 0.17 117.98 117.82 3hw9 s PHE 153 Ca 0.15 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.78 3hw9 s PHE 153 Cb -0.11 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 3hw9 s PHE 153 CO 0.05 -0.14 -0.09 0.00 -1.34 0.00 0.00 175.22 173.70 3hw9 s ALA 154 N -0.95 1.03 -0.01 1.99 0.00 0.12 -0.90 121.76 123.03 3hw9 s ALA 154 Ca -0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3hw9 s ALA 154 Cb -0.06 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hw9 s ALA 154 CO -0.00 -0.06 0.02 0.54 0.00 0.00 0.00 175.76 176.26 3hw9 s VAL 155 N -2.46 -0.00 0.07 0.00 0.11 0.26 -1.34 120.40 117.04 3hw9 s VAL 155 Ca 0.04 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 3hw9 s VAL 155 Cb -0.03 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 3hw9 s VAL 155 CO -0.01 0.01 -0.16 -1.58 -3.33 0.00 0.00 175.10 170.03 3hw9 s GLN 156 N 0.10 0.94 -0.32 1.54 0.74 0.21 -0.30 119.66 122.57 3hw9 s GLN 156 Ca -0.01 -0.95 0.02 0.00 0.05 0.00 0.00 55.36 54.47 3hw9 s GLN 156 Cb -0.01 -1.01 0.10 0.00 1.10 0.00 0.00 33.01 33.19 3hw9 s GLN 156 CO -0.00 0.23 0.06 0.71 -0.55 0.00 0.00 175.29 175.74 3hw9 s TYR 157 N -1.13 2.82 -0.21 1.67 2.02 -0.76 -1.46 117.35 120.30 3hw9 s TYR 157 Ca 0.01 -2.39 -0.29 0.00 -0.37 0.00 0.00 57.07 54.03 3hw9 s TYR 157 Cb -0.09 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 3hw9 s TYR 157 CO 0.02 -0.91 1.08 -1.17 -1.57 0.00 0.00 175.55 173.01 3hw9 s LEU 158 N 1.23 4.12 0.50 -1.29 2.96 0.61 -1.99 118.68 124.83 3hw9 s LEU 158 Ca 0.09 1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 55.28 3hw9 s LEU 158 Cb -0.18 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3hw9 s LEU 158 CO -0.15 -0.67 0.98 -0.83 -1.32 0.00 0.00 176.35 174.36 3hw9 s GLY 159 N 1.34 2.13 -0.03 7.98 0.00 0.28 -1.51 107.32 117.52 3hw9 s GLY 159 Ca 0.46 0.23 -0.30 0.00 0.00 0.00 0.00 44.72 45.12 3hw9 s GLY 159 CO 0.08 0.51 1.66 1.25 0.00 0.00 0.00 173.10 176.60 3hw9 s LYS 160 N -3.89 4.19 -0.69 2.90 2.20 -1.25 -4.68 119.74 118.52 3hw9 s LYS 160 Ca 0.60 2.22 0.05 0.00 -0.36 0.00 0.00 55.97 58.47 3hw9 s LYS 160 Cb -0.10 -3.94 0.17 0.00 -1.51 0.00 0.00 37.83 32.45 3hw9 s LYS 160 CO 0.28 -0.83 0.48 -0.80 -0.36 0.00 0.00 175.35 174.12 3hw9 s ASN 161 N 3.24 4.79 -0.49 1.43 0.01 0.42 -4.98 114.94 119.36 3hw9 s ASN 161 Ca 0.74 -3.80 -0.29 0.00 -0.71 0.00 0.00 52.86 48.80 3hw9 s ASN 161 Cb -0.34 -1.63 0.03 0.00 0.41 0.00 0.00 41.25 39.71 3hw9 s ASN 161 CO 0.30 -0.09 1.20 -1.61 -1.51 0.00 0.00 177.10 175.39 3hw9 s GLU 162 N -1.37 3.65 0.08 -0.60 2.02 -1.26 -2.31 118.70 118.91 3hw9 s GLU 162 Ca 0.24 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.81 3hw9 s GLU 162 Cb -0.06 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.22 3hw9 s GLU 162 CO -0.15 -1.48 0.03 0.54 0.02 0.00 0.00 175.26 174.22 3hw9 n ARG 163 N 8.00 1.62 -0.19 1.61 1.74 -1.26 -5.05 116.66 123.13 3hw9 n ARG 163 Ca 0.12 -0.56 -0.10 0.00 -0.77 0.00 0.00 57.85 56.54 3hw9 n ARG 163 Cb 0.49 0.11 0.02 0.00 -1.02 0.00 0.00 32.46 32.07 3hw9 n ARG 163 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hw9 h ASP 164 N 0.15 1.03 -3.86 0.55 5.19 -1.96 -3.45 116.42 114.09 3hw9 h ASP 164 Ca -0.06 -0.33 -0.68 0.00 -0.62 0.00 0.00 57.03 55.33 3hw9 h ASP 164 Cb 0.20 -0.28 -0.20 0.00 0.18 0.00 0.00 39.33 39.23 3hw9 h ASP 164 CO 0.10 1.13 -0.79 -0.89 -3.12 0.00 0.00 179.24 175.67 3hw9 s THR 165 N -4.88 2.95 0.22 0.35 2.01 -1.26 -5.01 115.64 110.02 3hw9 s THR 165 Ca -0.11 -1.18 0.34 0.00 0.31 0.00 0.00 61.69 61.05 3hw9 s THR 165 Cb 0.13 -2.28 0.38 0.00 0.01 0.00 0.00 72.50 70.75 3hw9 s THR 165 CO 0.86 0.30 2.04 0.00 -0.69 0.00 0.00 174.62 177.13 3hw9 h ALA 166 N 4.36 1.02 -0.82 7.40 0.00 -1.86 -2.78 119.26 126.58 3hw9 h ALA 166 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hw9 h ALA 166 Cb 1.16 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3hw9 h ALA 166 CO 0.49 0.03 0.50 -0.09 0.00 0.00 0.00 179.25 180.18 3hw9 h ARG 167 N 0.00 1.10 -0.32 0.00 9.65 -1.95 -3.15 114.38 119.71 3hw9 h ARG 167 Ca -0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3hw9 h ARG 167 Cb 0.44 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3hw9 h ARG 167 CO 0.00 0.76 0.00 0.54 2.80 0.00 0.00 179.97 184.07 3hw9 n ARG 168 N -4.38 2.23 -3.51 0.20 5.12 -1.06 -4.81 116.66 110.44 3hw9 n ARG 168 Ca 0.09 -1.97 -0.30 0.00 -1.93 0.00 0.00 57.85 53.74 3hw9 n ARG 168 Cb 0.05 -1.35 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 3hw9 n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3hw9 s SER 169 N -1.11 6.51 0.12 0.55 0.01 -1.12 -4.80 113.70 113.86 3hw9 s SER 169 Ca 0.27 0.71 -0.19 0.00 1.31 0.00 0.00 55.95 58.05 3hw9 s SER 169 Cb 0.15 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 64.29 3hw9 s SER 169 CO 0.21 -0.06 0.47 0.54 0.41 0.00 0.00 173.24 174.81 3hw9 s ASN 170 N -2.67 -0.36 0.00 2.44 4.22 -0.98 -4.87 114.94 112.73 3hw9 s ASN 170 Ca 0.44 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 3hw9 s ASN 170 Cb -0.11 0.51 0.00 0.00 1.28 0.00 0.00 41.25 42.93 3hw9 s ASN 170 CO 0.25 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 175.06 3hw9 n GLY 171 N -0.15 2.74 3.73 0.45 0.00 -0.54 -0.44 105.19 110.98 3hw9 n GLY 171 Ca -0.17 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3hw9 n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw9 s ASP 172 N -0.69 7.40 0.03 1.61 1.01 -1.26 -3.79 116.67 120.98 3hw9 s ASP 172 Ca 0.00 1.83 -0.15 0.00 0.71 0.00 0.00 52.55 54.94 3hw9 s ASP 172 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3hw9 s ASP 172 CO 0.00 -0.16 0.34 -0.83 0.21 0.00 0.00 175.17 174.72 3hw9 s GLY 173 N 0.27 -0.17 -0.09 0.21 0.00 -0.57 -1.43 107.32 105.55 3hw9 s GLY 173 Ca 0.49 0.15 0.02 0.00 0.00 0.00 0.00 44.72 45.38 3hw9 s GLY 173 CO 0.30 -0.08 -0.14 0.14 0.00 0.00 0.00 173.10 173.33 3hw9 s VAL 174 N -2.30 1.36 0.27 1.40 1.01 -0.68 -0.29 120.40 121.17 3hw9 s VAL 174 Ca -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3hw9 s VAL 174 Cb -0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 3hw9 s VAL 174 CO -0.02 0.41 -0.02 -0.83 0.00 0.00 0.00 175.10 174.64 3hw9 s GLY 175 N 0.90 1.78 0.17 4.51 0.00 -0.54 -2.37 107.32 111.77 3hw9 s GLY 175 Ca -0.09 -1.88 -0.23 0.00 0.00 0.00 0.00 44.72 42.52 3hw9 s GLY 175 CO 0.00 -1.78 0.61 -0.32 0.00 0.00 0.00 173.10 171.61 3hw9 s GLY 176 N -3.41 -0.56 -0.12 0.20 0.00 0.70 -0.62 107.32 103.53 3hw9 s GLY 176 Ca 0.30 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.28 3hw9 s GLY 176 CO 0.11 0.12 0.36 -1.35 0.00 0.00 0.00 173.10 172.35 3hw9 s SER 177 N -2.77 -0.35 -0.10 1.64 1.04 -0.45 -0.72 113.70 111.99 3hw9 s SER 177 Ca 0.02 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.10 3hw9 s SER 177 Cb -0.01 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3hw9 s SER 177 CO -0.11 -0.18 -0.14 -0.63 0.98 0.00 0.00 173.24 173.16 3hw9 s ILE 178 N -0.07 1.36 -0.02 -1.02 1.09 -0.16 -0.70 121.20 121.68 3hw9 s ILE 178 Ca -0.02 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.00 3hw9 s ILE 178 Cb -0.03 -1.26 -0.01 0.00 -1.06 0.00 0.00 42.46 40.11 3hw9 s ILE 178 CO 0.01 0.41 -0.12 -0.94 -0.10 0.00 0.00 174.94 174.20 3hw9 s SER 179 N 1.01 1.49 -0.04 3.58 1.04 0.13 -0.06 113.70 120.86 3hw9 s SER 179 Ca -0.07 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3hw9 s SER 179 Cb -0.15 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.72 3hw9 s SER 179 CO -0.01 0.13 -0.11 -0.47 0.98 0.00 0.00 173.24 173.76 3hw9 s TYR 180 N -0.13 1.19 -0.07 5.02 5.04 0.12 -0.15 117.35 128.37 3hw9 s TYR 180 Ca 0.02 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3hw9 s TYR 180 Cb -0.07 -0.86 0.01 0.00 0.35 0.00 0.00 41.96 41.40 3hw9 s TYR 180 CO 0.00 -0.17 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.71 3hw9 s GLU 181 N 0.36 1.74 -0.28 4.97 2.02 -1.15 -0.42 118.70 125.94 3hw9 s GLU 181 Ca -0.07 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 3hw9 s GLU 181 Cb -0.12 -1.44 0.10 0.00 0.10 0.00 0.00 34.13 32.76 3hw9 s GLU 181 CO 0.02 0.02 0.12 -0.47 0.02 0.00 0.00 175.26 174.96 3hw9 s TYR 182 N 0.70 0.55 -0.52 1.61 5.04 -0.55 -4.51 117.35 119.68 3hw9 s TYR 182 Ca -0.14 -0.97 -0.22 0.00 -2.44 0.00 0.00 57.07 53.31 3hw9 s TYR 182 Cb -0.16 -1.02 0.03 0.00 0.35 0.00 0.00 41.96 41.17 3hw9 s TYR 182 CO 0.03 -0.81 0.64 -1.91 -1.34 0.00 0.00 175.55 172.17 3hw9 n GLU 183 N 5.18 -1.99 0.00 4.97 2.13 -1.26 -3.15 120.64 126.52 3hw9 n GLU 183 Ca -0.06 1.62 0.00 0.00 0.66 0.00 0.00 57.16 59.38 3hw9 n GLU 183 Cb 0.43 -3.85 0.00 0.00 0.27 0.00 0.00 31.44 28.29 3hw9 n GLU 183 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hw9 n GLY 184 N -0.58 2.02 3.79 8.31 0.00 -1.26 -4.98 105.19 112.49 3hw9 n GLY 184 Ca -0.03 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3hw9 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hw9 s PHE 185 N -0.02 2.94 -0.22 1.61 0.08 -1.19 -0.82 117.98 120.36 3hw9 s PHE 185 Ca 0.00 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.46 3hw9 s PHE 185 Cb 0.00 -3.09 0.07 0.00 -0.57 0.00 0.00 43.02 39.43 3hw9 s PHE 185 CO 0.00 -1.04 0.56 0.20 -0.10 0.00 0.00 175.22 174.83 3hw9 s GLY 186 N -2.18 -0.47 -0.07 4.36 0.00 -0.63 -1.48 107.32 106.85 3hw9 s GLY 186 Ca 0.67 1.86 0.02 0.00 0.00 0.00 0.00 44.72 47.28 3hw9 s GLY 186 CO 0.26 1.84 -0.14 -1.50 0.00 0.00 0.00 173.10 173.57 3hw9 s ILE 187 N 1.14 1.26 0.04 0.90 2.07 0.44 -2.01 121.20 125.04 3hw9 s ILE 187 Ca -0.07 -0.55 0.08 0.00 -1.41 0.00 0.00 60.65 58.70 3hw9 s ILE 187 Cb -0.06 -1.14 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 3hw9 s ILE 187 CO -0.11 0.38 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.38 3hw9 s VAL 188 N 0.62 1.89 -0.25 4.00 1.01 -0.83 -0.70 120.40 126.13 3hw9 s VAL 188 Ca -0.15 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.56 3hw9 s VAL 188 Cb -0.16 -1.62 0.08 0.00 0.00 0.00 0.00 36.38 34.68 3hw9 s VAL 188 CO 0.04 0.32 0.06 -0.83 0.00 0.00 0.00 175.10 174.70 3hw9 s GLY 189 N -1.11 0.87 0.09 4.51 0.00 0.92 -1.74 107.32 110.86 3hw9 s GLY 189 Ca 0.10 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 43.73 3hw9 s GLY 189 CO 0.02 1.53 -0.20 0.00 0.00 0.00 0.00 173.10 174.44 3hw9 s ALA 190 N 1.75 2.58 -0.13 3.20 0.00 -0.79 -0.99 121.76 127.39 3hw9 s ALA 190 Ca 0.04 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 3hw9 s ALA 190 Cb -0.17 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.36 3hw9 s ALA 190 CO -0.18 0.58 0.47 -0.47 0.00 0.00 0.00 175.76 176.16 3hw9 s TYR 191 N -1.04 -0.47 -0.13 0.00 5.04 0.10 -2.04 117.35 118.82 3hw9 s TYR 191 Ca 0.16 1.05 -0.11 0.00 -2.44 0.00 0.00 57.07 55.72 3hw9 s TYR 191 Cb -0.10 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.43 3hw9 s TYR 191 CO 0.07 -0.33 0.33 0.20 -1.34 0.00 0.00 175.55 174.48 3hw9 s GLY 192 N -0.29 -0.25 -0.03 8.97 0.00 0.34 -0.21 107.32 115.85 3hw9 s GLY 192 Ca -0.04 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.64 3hw9 s GLY 192 CO 0.03 0.85 -0.05 0.00 0.00 0.00 0.00 173.10 173.92 3hw9 s ALA 193 N 0.25 0.60 0.07 3.20 0.00 -1.00 -0.85 121.76 124.02 3hw9 s ALA 193 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3hw9 s ALA 193 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3hw9 s ALA 193 CO -0.00 0.05 0.08 0.00 0.00 0.00 0.00 175.76 175.88 3hw9 s ALA 194 N 0.52 0.14 0.53 0.00 0.00 -0.34 -1.69 121.76 120.92 3hw9 s ALA 194 Ca -0.07 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3hw9 s ALA 194 Cb -0.10 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 3hw9 s ALA 194 CO -0.00 -0.43 1.03 -0.51 0.00 0.00 0.00 175.76 175.84 3hw9 s ASP 195 N -2.85 6.24 -0.15 0.00 1.01 -0.51 -0.62 116.67 119.78 3hw9 s ASP 195 Ca 0.05 1.78 -0.04 0.00 0.71 0.00 0.00 52.55 55.05 3hw9 s ASP 195 Cb 0.06 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3hw9 s ASP 195 CO -0.10 -0.85 -0.02 -0.13 0.21 0.00 0.00 175.17 174.28 3hw9 s ARG 196 N -3.76 3.63 0.87 8.23 0.52 -1.24 -1.47 118.95 125.74 3hw9 s ARG 196 Ca 0.63 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 3hw9 s ARG 196 Cb -0.14 -2.93 0.11 0.00 0.52 0.00 0.00 34.95 32.51 3hw9 s ARG 196 CO 0.29 0.30 1.09 0.95 0.02 0.00 0.00 175.30 177.95 3hw9 s THR 197 N 0.22 2.78 0.46 0.02 -4.23 -1.26 -4.84 115.64 108.79 3hw9 s THR 197 Ca -0.01 0.25 0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3hw9 s THR 197 Cb -0.14 -2.77 0.24 0.00 1.34 0.00 0.00 72.50 71.17 3hw9 s THR 197 CO 0.02 -0.33 2.07 0.78 -0.54 0.00 0.00 174.62 176.63 3hw9 h ASN 198 N -1.44 0.17 0.29 3.99 2.35 -1.99 -1.98 115.58 116.96 3hw9 h ASN 198 Ca -0.49 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.09 3hw9 h ASN 198 Cb 1.28 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 3hw9 h ASN 198 CO 0.55 0.17 -0.64 0.25 -1.65 0.00 0.00 177.43 176.11 3hw9 h LEU 199 N 0.20 0.39 -0.70 1.61 5.85 -1.98 -2.78 115.31 117.89 3hw9 h LEU 199 Ca 0.05 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 3hw9 h LEU 199 Cb 0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3hw9 h LEU 199 CO -0.00 0.93 -0.54 1.56 -0.34 0.00 0.00 178.44 180.04 3hw9 h GLN 200 N 0.24 0.29 0.00 1.25 4.20 -1.70 -3.15 115.11 116.25 3hw9 h GLN 200 Ca -0.01 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 3hw9 h GLN 200 Cb 1.18 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 3hw9 h GLN 200 CO 0.11 0.76 -0.61 0.93 -0.67 0.00 0.00 178.83 179.34 3hw9 h GLU 201 N 0.23 0.00 0.00 1.46 4.39 -1.34 -3.19 114.58 116.13 3hw9 h GLU 201 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hw9 h GLU 201 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3hw9 h GLU 201 CO 0.09 0.61 0.00 0.00 -1.16 0.00 0.00 179.01 178.55 3hw9 h ALA 202 N 1.39 1.00 -2.73 3.43 0.00 -1.45 -3.45 119.26 117.44 3hw9 h ALA 202 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 3hw9 h ALA 202 Cb 1.12 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.95 3hw9 h ALA 202 CO 0.08 0.00 0.64 -0.65 0.00 0.00 0.00 179.25 179.32 3hw9 s GLN 203 N -3.35 4.40 0.58 0.00 -1.52 -1.21 -4.93 119.66 113.63 3hw9 s GLN 203 Ca 0.05 2.08 0.32 0.00 -1.95 0.00 0.00 55.36 55.86 3hw9 s GLN 203 Cb 0.09 -3.17 1.78 0.00 -0.22 0.00 0.00 33.01 31.49 3hw9 s GLN 203 CO 0.55 -0.21 2.19 -1.35 -0.25 0.00 0.00 175.29 176.22 3hw9 h PRO 204 N 4.86 0.00 -5.32 2.91 0.11 -1.88 -3.41 132.00 129.27 3hw9 h PRO 204 Ca -0.46 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 3hw9 h PRO 204 Cb 1.22 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 3hw9 h PRO 204 CO 0.74 0.05 -0.49 -0.51 -0.21 0.00 0.00 178.00 177.58 3hw9 s LEU 205 N -7.11 4.22 0.00 2.35 1.43 -1.25 -4.94 118.68 113.38 3hw9 s LEU 205 Ca -0.04 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3hw9 s LEU 205 Cb 0.13 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3hw9 s LEU 205 CO 0.53 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.93 3hw9 n GLY 206 N 3.31 -0.03 2.84 -3.19 0.00 -0.84 -2.18 105.19 105.10 3hw9 n GLY 206 Ca -0.17 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 3hw9 n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hw9 s ASN 207 N -0.41 0.29 0.00 1.61 2.47 -1.26 -4.87 114.94 112.77 3hw9 s ASN 207 Ca 0.00 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.51 3hw9 s ASN 207 Cb 0.00 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 3hw9 s ASN 207 CO 0.00 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 3hw9 n GLY 208 N 4.62 3.77 0.68 1.21 0.00 -1.26 -4.89 105.19 109.32 3hw9 n GLY 208 Ca -0.18 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.89 3hw9 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hw9 n LYS 209 N -1.42 1.65 -3.95 1.61 5.02 -1.26 -4.86 118.16 114.95 3hw9 n LYS 209 Ca 0.00 -1.36 -0.15 0.00 -2.02 0.00 0.00 58.31 54.78 3hw9 n LYS 209 Cb 0.00 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 3hw9 n LYS 209 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hw9 s LYS 210 N -2.29 0.19 -0.23 1.97 2.47 -1.26 -3.59 119.74 117.00 3hw9 s LYS 210 Ca 0.22 0.00 -0.06 0.00 -1.56 0.00 0.00 55.97 54.58 3hw9 s LYS 210 Cb 0.19 -0.28 -0.02 0.00 -1.46 0.00 0.00 37.83 36.26 3hw9 s LYS 210 CO 0.47 -0.04 0.01 0.00 0.16 0.00 0.00 175.35 175.95 3hw9 s ALA 211 N 0.42 2.99 -0.03 3.13 0.00 0.21 -4.68 121.76 123.79 3hw9 s ALA 211 Ca -0.04 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.85 3hw9 s ALA 211 Cb -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3hw9 s ALA 211 CO -0.01 -0.43 -0.22 -1.21 0.00 0.00 0.00 175.76 173.89 3hw9 s GLU 212 N 1.50 2.30 -0.05 0.00 2.02 -0.83 -1.20 118.70 122.44 3hw9 s GLU 212 Ca 0.06 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 3hw9 s GLU 212 Cb -0.15 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 31.94 3hw9 s GLU 212 CO 0.00 0.57 0.08 -0.65 0.02 0.00 0.00 175.26 175.28 3hw9 s GLN 213 N -0.61 -0.03 0.01 1.61 -0.21 -0.03 -0.18 119.66 120.21 3hw9 s GLN 213 Ca 0.09 0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.86 3hw9 s GLN 213 Cb -0.11 -0.38 -0.01 0.00 1.00 0.00 0.00 33.01 33.52 3hw9 s GLN 213 CO -0.00 -0.28 -0.04 1.67 -2.12 0.00 0.00 175.29 174.52 3hw9 s TRP 214 N 1.88 0.36 -0.08 0.91 1.48 -0.97 -0.51 118.94 122.01 3hw9 s TRP 214 Ca 0.00 -0.20 -0.12 0.00 -1.06 0.00 0.00 56.10 54.72 3hw9 s TRP 214 Cb -0.12 -0.23 0.03 0.00 -1.16 0.00 0.00 33.47 31.99 3hw9 s TRP 214 CO -0.04 -0.04 0.30 0.00 -4.06 0.00 0.00 176.95 173.11 3hw9 s ALA 215 N -0.51 -0.75 0.02 2.67 0.00 -0.87 -1.64 121.76 120.68 3hw9 s ALA 215 Ca -0.03 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.65 3hw9 s ALA 215 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3hw9 s ALA 215 CO -0.00 -0.19 -0.23 0.95 0.00 0.00 0.00 175.76 176.29 3hw9 s THR 216 N -0.43 2.36 -0.01 0.00 -4.23 -0.15 -1.88 115.64 111.30 3hw9 s THR 216 Ca -0.05 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3hw9 s THR 216 Cb -0.04 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 3hw9 s THR 216 CO 0.02 0.44 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.53 3hw9 s GLY 217 N -1.08 0.86 -0.08 3.99 0.00 -0.71 -2.19 107.32 108.11 3hw9 s GLY 217 Ca 0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 3hw9 s GLY 217 CO 0.02 -0.65 0.06 1.08 0.00 0.00 0.00 173.10 173.61 3hw9 s LEU 218 N -0.48 0.29 0.08 0.66 1.02 -0.53 -1.97 118.68 117.74 3hw9 s LEU 218 Ca 0.06 -0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.12 3hw9 s LEU 218 Cb -0.07 -0.22 -0.04 0.00 0.02 0.00 0.00 46.19 45.88 3hw9 s LEU 218 CO -0.00 -0.26 -0.07 -1.59 0.02 0.00 0.00 176.35 174.44 3hw9 s LYS 219 N 2.12 0.73 -0.26 1.70 -2.85 -0.85 -0.37 119.74 119.97 3hw9 s LYS 219 Ca 0.04 -1.15 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 3hw9 s LYS 219 Cb -0.13 -0.23 0.07 0.00 -2.06 0.00 0.00 37.83 35.48 3hw9 s LYS 219 CO -0.05 0.00 -0.02 -0.47 0.10 0.00 0.00 175.35 174.91 3hw9 s TYR 220 N -2.91 2.52 -0.68 1.78 5.04 -0.07 -1.61 117.35 121.42 3hw9 s TYR 220 Ca 0.05 -1.93 0.04 0.00 -2.44 0.00 0.00 57.07 52.79 3hw9 s TYR 220 Cb 0.00 -1.78 0.17 0.00 0.35 0.00 0.00 41.96 40.70 3hw9 s TYR 220 CO -0.03 -0.81 0.47 0.34 -1.34 0.00 0.00 175.55 174.18 3hw9 s ASP 221 N 1.35 4.81 0.04 4.32 2.15 0.00 -2.67 116.67 126.68 3hw9 s ASP 221 Ca -0.02 -3.71 -0.27 0.00 0.43 0.00 0.00 52.55 48.98 3hw9 s ASP 221 Cb -0.19 -1.65 0.08 0.00 -0.30 0.00 0.00 42.92 40.85 3hw9 s ASP 221 CO -0.08 -0.11 0.68 0.00 -0.17 0.00 0.00 175.17 175.48 3hw9 s ALA 222 N -1.26 -1.70 -1.47 3.66 0.00 -1.12 -4.57 121.76 115.31 3hw9 s ALA 222 Ca 0.24 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 3hw9 s ALA 222 Cb -0.08 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3hw9 s ALA 222 CO -0.14 -0.58 1.00 0.09 0.00 0.00 0.00 175.76 176.14 3hw9 n ASN 223 N 0.22 -5.45 -1.17 0.00 4.13 -1.26 -1.92 115.26 109.81 3hw9 n ASN 223 Ca -0.17 -0.64 -0.15 0.00 1.68 0.00 0.00 54.58 55.30 3hw9 n ASN 223 Cb 0.61 -4.33 -0.07 0.00 -1.54 0.00 0.00 39.78 34.45 3hw9 n ASN 223 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hw9 n ASN 224 N -2.84 -4.89 -4.38 6.41 3.02 -1.26 -4.99 115.26 106.33 3hw9 n ASN 224 Ca 0.02 0.38 -0.32 0.00 -0.03 0.00 0.00 54.58 54.62 3hw9 n ASN 224 Cb 0.54 -3.73 -0.15 0.00 -0.61 0.00 0.00 39.78 35.83 3hw9 n ASN 224 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hw9 s ILE 225 N -2.54 2.72 -0.33 2.41 1.01 -0.81 -1.31 121.20 122.35 3hw9 s ILE 225 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3hw9 s ILE 225 Cb 0.00 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.51 3hw9 s ILE 225 CO 0.00 0.56 0.13 -0.47 0.00 0.00 0.00 174.94 175.17 3hw9 s TYR 226 N -0.23 1.58 -0.26 3.97 5.04 0.30 -2.78 117.35 124.99 3hw9 s TYR 226 Ca -0.00 -1.79 -0.04 0.00 -2.44 0.00 0.00 57.07 52.80 3hw9 s TYR 226 Cb -0.13 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.56 3hw9 s TYR 226 CO 0.03 -0.85 -0.01 -0.51 -1.34 0.00 0.00 175.55 172.87 3hw9 s LEU 227 N 1.39 3.34 0.13 6.97 1.43 -1.09 -0.51 118.68 130.33 3hw9 s LEU 227 Ca 0.12 -0.68 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3hw9 s LEU 227 Cb -0.19 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3hw9 s LEU 227 CO -0.20 -0.12 -0.19 0.00 0.23 0.00 0.00 176.35 176.08 3hw9 s ALA 228 N 1.43 1.81 -0.09 4.21 0.00 0.38 -0.89 121.76 128.61 3hw9 s ALA 228 Ca 0.03 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.59 3hw9 s ALA 228 Cb -0.16 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3hw9 s ALA 228 CO -0.02 0.27 0.22 0.00 0.00 0.00 0.00 175.76 176.23 3hw9 s ALA 229 N -1.63 -0.52 -0.03 0.00 0.00 0.50 -1.58 121.76 118.50 3hw9 s ALA 229 Ca 0.10 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3hw9 s ALA 229 Cb -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3hw9 s ALA 229 CO 0.05 -0.14 -0.03 -0.80 0.00 0.00 0.00 175.76 174.84 3hw9 s ASN 230 N 0.56 0.70 -0.07 0.00 0.02 0.38 -1.45 114.94 115.07 3hw9 s ASN 230 Ca -0.04 -0.09 0.02 0.00 -1.02 0.00 0.00 52.86 51.73 3hw9 s ASN 230 Cb -0.05 -0.33 0.02 0.00 0.02 0.00 0.00 41.25 40.91 3hw9 s ASN 230 CO -0.03 -0.06 -0.10 -0.47 0.02 0.00 0.00 177.10 176.46 3hw9 s TYR 231 N 0.84 1.37 0.05 2.20 5.04 -0.93 -0.25 117.35 125.67 3hw9 s TYR 231 Ca -0.10 -0.53 -0.13 0.00 -2.44 0.00 0.00 57.07 53.87 3hw9 s TYR 231 Cb -0.13 -1.05 0.02 0.00 0.35 0.00 0.00 41.96 41.15 3hw9 s TYR 231 CO -0.00 -0.32 0.29 0.20 -1.34 0.00 0.00 175.55 174.38 3hw9 s GLY 232 N 0.92 -0.10 -0.01 8.97 0.00 -0.87 -0.98 107.32 115.25 3hw9 s GLY 232 Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3hw9 s GLY 232 CO 0.01 -0.30 -0.05 -0.54 0.00 0.00 0.00 173.10 172.22 3hw9 s GLU 233 N -2.79 0.48 0.09 2.90 2.02 -0.65 -0.43 118.70 120.32 3hw9 s GLU 233 Ca -0.03 -0.15 0.09 0.00 0.02 0.00 0.00 54.97 54.89 3hw9 s GLU 233 Cb -0.00 -0.49 -0.03 0.00 0.10 0.00 0.00 34.13 33.71 3hw9 s GLU 233 CO -0.05 0.06 -0.23 0.95 0.02 0.00 0.00 175.26 176.02 3hw9 s THR 234 N 0.13 1.89 -0.18 3.63 -4.23 -1.19 -2.30 115.64 113.39 3hw9 s THR 234 Ca -0.01 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3hw9 s THR 234 Cb -0.05 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.14 3hw9 s THR 234 CO -0.00 0.09 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.86 3hw9 s ARG 235 N -1.70 2.80 -1.62 3.99 1.81 0.75 -2.01 118.95 122.97 3hw9 s ARG 235 Ca 0.09 -0.81 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 3hw9 s ARG 235 Cb -0.10 -2.50 0.13 0.00 -0.45 0.00 0.00 34.95 32.03 3hw9 s ARG 235 CO 0.04 -0.24 0.87 0.09 -0.68 0.00 0.00 175.30 175.38 3hw9 n ASN 236 N 4.64 -4.05 0.00 0.23 3.02 -0.92 -1.96 115.26 116.21 3hw9 n ASN 236 Ca -0.20 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3hw9 n ASN 236 Cb 0.49 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 3hw9 n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw9 n ALA 237 N -4.49 2.01 -2.25 5.41 0.00 -1.25 -4.72 120.51 115.22 3hw9 n ALA 237 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 3hw9 n ALA 237 Cb 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 20.22 3hw9 n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hw9 s THR 238 N -1.59 3.98 0.02 0.00 2.01 -1.26 -4.91 115.64 113.89 3hw9 s THR 238 Ca 0.00 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.88 3hw9 s THR 238 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 3hw9 s THR 238 CO 0.00 -0.13 1.49 -2.16 -0.69 0.00 0.00 174.62 173.14 3hw9 s PRO 239 N 3.79 4.25 0.13 4.92 0.04 -1.26 -1.66 135.00 145.20 3hw9 s PRO 239 Ca 0.63 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.84 3hw9 s PRO 239 Cb -0.26 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 3hw9 s PRO 239 CO 0.21 -0.64 -0.18 0.96 0.04 0.00 0.00 177.00 177.39 3hw9 s ILE 240 N 2.56 1.61 -0.07 0.56 -4.36 -1.05 -4.92 121.20 115.51 3hw9 s ILE 240 Ca 0.67 -1.70 -0.03 0.00 -0.26 0.00 0.00 60.65 59.34 3hw9 s ILE 240 Cb -0.34 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 41.80 3hw9 s ILE 240 CO 0.28 -0.25 0.08 -0.89 0.24 0.00 0.00 174.94 174.41 3hw9 s THR 241 N -1.72 -0.13 -0.46 8.37 2.01 -1.26 -2.97 115.64 119.47 3hw9 s THR 241 Ca 0.10 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 3hw9 s THR 241 Cb -0.07 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.20 3hw9 s THR 241 CO 0.05 0.08 1.07 0.21 -0.69 0.00 0.00 174.62 175.34 3hw9 s ASN 242 N 2.19 6.62 0.33 3.53 3.84 -0.77 -4.85 114.94 125.83 3hw9 s ASN 242 Ca 0.04 0.41 0.26 0.00 0.21 0.00 0.00 52.86 53.78 3hw9 s ASN 242 Cb -0.13 -2.52 0.73 0.00 -0.55 0.00 0.00 41.25 38.78 3hw9 s ASN 242 CO -0.05 -1.17 1.73 0.11 -2.79 0.00 0.00 177.10 174.94 3hw9 h LYS 243 N 9.10 0.00 0.14 0.43 1.57 -1.26 -0.57 116.57 125.98 3hw9 h LYS 243 Ca -0.23 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.24 3hw9 h LYS 243 Cb 1.06 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.41 3hw9 h LYS 243 CO 1.09 0.00 -1.29 0.74 -0.57 0.00 0.00 179.45 179.42 3hw9 h PHE 244 N 0.00 1.00 -0.01 -1.35 0.04 -1.88 -3.36 116.94 111.38 3hw9 h PHE 244 Ca 0.00 -0.65 0.00 0.00 2.80 0.00 0.00 57.97 60.12 3hw9 h PHE 244 Cb 0.76 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.83 3hw9 h PHE 244 CO 0.00 1.49 -0.40 0.25 -0.60 0.00 0.00 178.31 179.05 3hw9 n THR 245 N -3.77 0.00 -3.33 -1.55 -2.24 -1.22 -5.03 114.28 97.14 3hw9 n THR 245 Ca -0.14 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3hw9 n THR 245 Cb 1.01 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 70.39 3hw9 n THR 245 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hw9 n ASN 246 N -0.40 -6.72 -4.04 3.42 5.03 -0.25 -5.04 115.26 107.26 3hw9 n ASN 246 Ca 0.06 -0.42 -0.23 0.00 0.87 0.00 0.00 54.58 54.86 3hw9 n ASN 246 Cb 0.30 -4.09 -0.16 0.00 -1.02 0.00 0.00 39.78 34.81 3hw9 n ASN 246 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hw9 s THR 247 N -3.04 1.03 0.18 3.41 2.01 -1.04 -5.00 115.64 113.20 3hw9 s THR 247 Ca 0.04 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.65 3hw9 s THR 247 Cb -0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3hw9 s THR 247 CO 0.80 0.31 -0.03 -0.44 -0.69 0.00 0.00 174.62 174.58 3hw9 s SER 248 N 0.26 4.61 0.00 3.53 0.01 -1.26 -1.84 113.70 119.02 3hw9 s SER 248 Ca -0.06 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.74 3hw9 s SER 248 Cb -0.11 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.20 3hw9 s SER 248 CO 0.02 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3hw9 n GLY 249 N -0.13 -0.51 3.13 3.44 0.00 -1.16 -3.75 105.19 106.22 3hw9 n GLY 249 Ca -0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 3hw9 n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hw9 s PHE 250 N -4.00 0.72 -0.06 1.61 0.40 -0.93 -2.54 117.98 113.19 3hw9 s PHE 250 Ca 0.00 -1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 55.10 3hw9 s PHE 250 Cb 0.00 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 43.02 3hw9 s PHE 250 CO 0.00 -0.33 0.50 0.00 0.70 0.00 0.00 175.22 176.10 3hw9 s ALA 251 N -3.84 3.52 0.34 5.36 0.00 -0.66 -1.99 121.76 124.49 3hw9 s ALA 251 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.02 3hw9 s ALA 251 Cb 0.07 -2.63 0.63 0.00 0.00 0.00 0.00 23.12 21.18 3hw9 s ALA 251 CO -0.06 0.14 1.85 -0.91 0.00 0.00 0.00 175.76 176.78 3hw9 h ASN 252 N 6.02 0.37 -3.11 0.00 2.35 -1.81 -2.44 115.58 116.95 3hw9 h ASN 252 Ca -0.44 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.13 3hw9 h ASN 252 Cb 1.19 -0.10 -0.26 0.00 0.05 0.00 0.00 38.32 39.21 3hw9 h ASN 252 CO 0.71 0.53 -0.27 -0.75 -1.65 0.00 0.00 177.43 176.00 3hw9 s LYS 253 N -4.73 0.42 0.12 0.81 2.20 -1.04 -3.18 119.74 114.35 3hw9 s LYS 253 Ca -0.06 0.87 0.08 0.00 -0.36 0.00 0.00 55.97 56.50 3hw9 s LYS 253 Cb 0.15 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 3hw9 s LYS 253 CO 0.76 -0.17 -0.19 0.95 -0.36 0.00 0.00 175.35 176.34 3hw9 s THR 254 N 1.57 1.66 -0.13 3.43 -4.23 -0.85 0.17 115.64 117.26 3hw9 s THR 254 Ca -0.09 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3hw9 s THR 254 Cb -0.08 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.18 3hw9 s THR 254 CO -0.14 -0.21 -0.01 -1.10 -0.54 0.00 0.00 174.62 172.63 3hw9 s GLN 255 N -2.30 0.91 -0.09 3.99 -0.21 -0.28 -3.18 119.66 118.51 3hw9 s GLN 255 Ca 0.09 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.27 3hw9 s GLN 255 Cb -0.08 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.30 3hw9 s GLN 255 CO 0.05 -0.43 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.12 3hw9 s ASP 256 N 1.83 3.85 -0.11 5.90 1.01 0.43 -1.77 116.67 127.81 3hw9 s ASP 256 Ca 0.02 -0.31 -0.00 0.00 0.71 0.00 0.00 52.55 52.97 3hw9 s ASP 256 Cb -0.14 -1.20 0.02 0.00 1.01 0.00 0.00 42.92 42.61 3hw9 s ASP 256 CO -0.07 0.25 -0.08 -0.69 0.21 0.00 0.00 175.17 174.78 3hw9 s VAL 257 N -0.14 1.07 -0.09 -1.27 1.01 0.11 -2.05 120.40 119.03 3hw9 s VAL 257 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3hw9 s VAL 257 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3hw9 s VAL 257 CO 0.04 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 3hw9 s LEU 258 N 1.66 1.97 -0.04 3.92 2.01 0.65 -1.16 118.68 127.70 3hw9 s LEU 258 Ca 0.04 -0.49 -0.01 0.00 0.01 0.00 0.00 54.13 53.68 3hw9 s LEU 258 Cb -0.13 -1.26 0.03 0.00 0.01 0.00 0.00 46.19 44.84 3hw9 s LEU 258 CO -0.08 0.12 0.01 -0.76 1.01 0.00 0.00 176.35 176.65 3hw9 s LEU 259 N 0.46 0.79 -0.04 1.79 1.43 -0.27 -0.47 118.68 122.37 3hw9 s LEU 259 Ca -0.17 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3hw9 s LEU 259 Cb -0.17 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.78 3hw9 s LEU 259 CO 0.07 -0.16 -0.07 -0.69 0.23 0.00 0.00 176.35 175.73 3hw9 s VAL 260 N 1.53 0.73 -0.18 -1.59 1.01 -0.61 -0.38 120.40 120.91 3hw9 s VAL 260 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3hw9 s VAL 260 Cb -0.13 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.60 3hw9 s VAL 260 CO -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.28 3hw9 s ALA 261 N 0.62 1.53 0.01 5.51 0.00 0.80 -0.47 121.76 129.76 3hw9 s ALA 261 Ca -0.10 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3hw9 s ALA 261 Cb -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3hw9 s ALA 261 CO 0.01 -0.91 -0.10 -0.65 0.00 0.00 0.00 175.76 174.11 3hw9 s GLN 262 N 1.61 0.76 0.05 0.00 -0.21 0.33 -1.06 119.66 121.14 3hw9 s GLN 262 Ca -0.01 -0.46 0.07 0.00 0.02 0.00 0.00 55.36 54.98 3hw9 s GLN 262 Cb -0.16 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.10 3hw9 s GLN 262 CO -0.07 0.19 -0.21 -0.47 -2.12 0.00 0.00 175.29 172.61 3hw9 s TYR 263 N -0.47 1.83 -0.30 0.91 5.04 -1.18 -0.53 117.35 122.65 3hw9 s TYR 263 Ca 0.02 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.24 3hw9 s TYR 263 Cb -0.05 -1.09 0.04 0.00 0.35 0.00 0.00 41.96 41.21 3hw9 s TYR 263 CO 0.00 0.10 0.01 -1.14 -1.34 0.00 0.00 175.55 173.18 3hw9 s GLN 264 N -1.21 2.55 0.37 4.97 2.00 -0.42 -3.40 119.66 124.52 3hw9 s GLN 264 Ca 0.08 -1.19 -0.19 0.00 -2.00 0.00 0.00 55.36 52.05 3hw9 s GLN 264 Cb -0.09 -3.20 -0.10 0.00 0.80 0.00 0.00 33.01 30.42 3hw9 s GLN 264 CO 0.02 -0.59 0.87 -0.06 -0.50 0.00 0.00 175.29 175.03 3hw9 s PHE 265 N 1.30 3.39 0.02 1.67 0.08 -0.71 -4.84 117.98 118.90 3hw9 s PHE 265 Ca -0.04 1.49 0.32 0.00 0.12 0.00 0.00 56.93 58.83 3hw9 s PHE 265 Cb -0.19 -2.74 1.35 0.00 -0.57 0.00 0.00 43.02 40.86 3hw9 s PHE 265 CO -0.01 0.02 1.95 -0.44 -0.10 0.00 0.00 175.22 176.64 3hw9 h ASP 266 N 2.24 0.00 0.30 1.36 3.32 -1.99 -2.85 116.42 118.80 3hw9 h ASP 266 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hw9 h ASP 266 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3hw9 h ASP 266 CO 0.63 0.00 -0.23 2.22 -1.72 0.00 0.00 179.24 180.14 3hw9 n PHE 267 N -2.93 0.00 0.00 4.55 -1.74 -1.26 -4.96 117.46 111.12 3hw9 n PHE 267 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 3hw9 n PHE 267 Cb 0.28 -0.15 0.00 0.00 1.52 0.00 0.00 39.48 41.13 3hw9 n PHE 267 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hw9 n GLY 268 N 1.34 1.78 3.76 4.97 0.00 -1.07 -4.93 105.19 111.04 3hw9 n GLY 268 Ca 0.12 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3hw9 n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hw9 s LEU 269 N 0.00 4.52 -0.36 0.99 2.96 -1.26 -1.64 118.68 123.89 3hw9 s LEU 269 Ca 0.00 2.37 -0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3hw9 s LEU 269 Cb 0.00 -3.63 0.12 0.00 0.50 0.00 0.00 46.19 43.18 3hw9 s LEU 269 CO 0.00 -0.25 0.17 -0.60 -1.32 0.00 0.00 176.35 174.36 3hw9 s ARG 270 N -1.46 0.77 0.71 1.98 3.52 0.67 -1.73 118.95 123.41 3hw9 s ARG 270 Ca 0.46 -1.34 -0.14 0.00 -0.13 0.00 0.00 55.73 54.58 3hw9 s ARG 270 Cb -0.34 -1.81 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 3hw9 s ARG 270 CO 0.44 -1.10 1.13 -2.14 -0.81 0.00 0.00 175.30 172.82 3hw9 s PRO 271 N 1.17 2.42 -0.12 5.12 0.02 -1.22 -0.70 135.00 141.69 3hw9 s PRO 271 Ca 0.14 1.46 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 3hw9 s PRO 271 Cb -0.21 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.47 3hw9 s PRO 271 CO -0.13 -1.56 0.26 0.45 -0.33 0.00 0.00 177.00 175.69 3hw9 s SER 272 N -2.56 0.13 -0.10 2.53 0.15 0.15 -3.10 113.70 110.90 3hw9 s SER 272 Ca 0.68 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.92 3hw9 s SER 272 Cb -0.22 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 3hw9 s SER 272 CO 0.46 -0.21 -0.16 -0.63 1.20 0.00 0.00 173.24 173.89 3hw9 s ILE 273 N 1.99 1.54 0.05 6.45 -1.09 -0.22 -1.71 121.20 128.20 3hw9 s ILE 273 Ca -0.03 -0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 57.70 3hw9 s ILE 273 Cb -0.11 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 3hw9 s ILE 273 CO -0.09 0.45 -0.00 0.00 -1.23 0.00 0.00 174.94 174.07 3hw9 s ALA 274 N 0.88 0.41 -0.02 9.38 0.00 -0.67 -0.14 121.76 131.60 3hw9 s ALA 274 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3hw9 s ALA 274 Cb -0.15 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3hw9 s ALA 274 CO 0.00 -0.38 0.01 -0.47 0.00 0.00 0.00 175.76 174.91 3hw9 s TYR 275 N -3.86 0.19 -0.05 0.00 5.04 0.49 -0.20 117.35 118.96 3hw9 s TYR 275 Ca 0.06 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 3hw9 s TYR 275 Cb 0.07 -0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.10 3hw9 s TYR 275 CO -0.10 -0.10 -0.06 0.99 -1.34 0.00 0.00 175.55 174.94 3hw9 s THR 276 N 0.87 0.66 -0.03 4.34 2.01 -1.01 -1.11 115.64 121.37 3hw9 s THR 276 Ca -0.08 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 3hw9 s THR 276 Cb -0.11 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.76 3hw9 s THR 276 CO -0.02 0.25 0.03 -0.75 -0.69 0.00 0.00 174.62 173.45 3hw9 s LYS 277 N 0.85 0.06 -0.19 4.92 2.20 -0.31 -1.91 119.74 125.37 3hw9 s LYS 277 Ca -0.12 0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.69 3hw9 s LYS 277 Cb -0.15 -0.45 0.06 0.00 -1.51 0.00 0.00 37.83 35.79 3hw9 s LYS 277 CO 0.01 -0.23 0.04 0.45 -0.36 0.00 0.00 175.35 175.25 3hw9 s SER 278 N 1.54 2.90 -0.17 1.43 0.15 0.18 0.04 113.70 119.77 3hw9 s SER 278 Ca -0.03 -0.82 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 3hw9 s SER 278 Cb -0.13 -0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3hw9 s SER 278 CO -0.03 -0.31 -0.04 -1.59 1.20 0.00 0.00 173.24 172.47 3hw9 s LYS 279 N 1.86 3.59 -0.15 5.44 -2.85 -0.73 -0.44 119.74 126.47 3hw9 s LYS 279 Ca -0.01 -0.55 -0.16 0.00 -1.00 0.00 0.00 55.97 54.25 3hw9 s LYS 279 Cb -0.17 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 3hw9 s LYS 279 CO -0.08 0.12 0.38 0.00 0.10 0.00 0.00 175.35 175.87 3hw9 s ALA 280 N 0.68 3.54 0.26 0.59 0.00 0.10 -1.12 121.76 125.81 3hw9 s ALA 280 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.69 3hw9 s ALA 280 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 3hw9 s ALA 280 CO 0.02 0.01 -0.14 0.15 0.00 0.00 0.00 175.76 175.81 3hw9 s LYS 281 N 0.63 1.88 -1.83 0.00 1.02 0.44 -0.89 119.74 121.00 3hw9 s LYS 281 Ca 0.21 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.58 3hw9 s LYS 281 Cb -0.14 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3hw9 s LYS 281 CO 0.07 0.35 0.00 -0.25 -0.92 0.00 0.00 175.35 174.60 3hw9 n ASP 282 N -0.60 -5.77 -4.68 2.83 8.00 -0.10 -2.50 116.55 113.73 3hw9 n ASP 282 Ca -0.06 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 3hw9 n ASP 282 Cb 0.59 -4.85 -0.03 0.00 -0.02 0.00 0.00 41.12 36.81 3hw9 n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hw9 s VAL 283 N -2.98 3.87 -0.16 2.53 1.01 0.11 -4.59 120.40 120.19 3hw9 s VAL 283 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3hw9 s VAL 283 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3hw9 s VAL 283 CO 0.00 -0.02 1.79 -1.83 0.00 0.00 0.00 175.10 175.05 3hw9 s GLU 284 N 2.53 3.77 0.00 2.72 1.03 -1.26 -0.14 118.70 127.34 3hw9 s GLU 284 Ca 0.62 1.94 0.00 0.00 0.03 0.00 0.00 54.97 57.56 3hw9 s GLU 284 Cb -0.29 -4.12 0.00 0.00 -0.80 0.00 0.00 34.13 28.92 3hw9 s GLU 284 CO 0.25 -1.35 0.00 0.41 -1.33 0.00 0.00 175.26 173.24 3hw9 n GLY 285 N 4.80 2.08 0.88 -3.83 0.00 -1.26 -4.86 105.19 103.00 3hw9 n GLY 285 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 3hw9 n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hw9 n ILE 286 N 0.00 0.96 0.00 -0.61 5.41 -0.98 -5.11 119.36 119.03 3hw9 n ILE 286 Ca 0.00 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.04 3hw9 n ILE 286 Cb 0.00 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 3hw9 n ILE 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hw9 n GLY 287 N 3.16 2.16 3.24 7.39 0.00 0.79 -4.95 105.19 116.99 3hw9 n GLY 287 Ca -0.02 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3hw9 n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw9 s ASP 288 N -4.00 3.61 -0.06 1.61 1.11 -1.26 -0.71 116.67 116.97 3hw9 s ASP 288 Ca 0.00 -0.50 -0.04 0.00 0.18 0.00 0.00 52.55 52.19 3hw9 s ASP 288 Cb 0.00 -1.56 0.02 0.00 1.07 0.00 0.00 42.92 42.45 3hw9 s ASP 288 CO 0.00 0.06 0.14 0.68 1.18 0.00 0.00 175.17 177.23 3hw9 s VAL 289 N 0.97 -0.02 -0.26 -1.27 -7.23 -0.07 -5.00 120.40 107.53 3hw9 s VAL 289 Ca -0.02 0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 3hw9 s VAL 289 Cb -0.15 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.59 3hw9 s VAL 289 CO -0.03 0.02 1.01 -1.81 -0.31 0.00 0.00 175.10 173.99 3hw9 s ASP 290 N 0.43 7.00 -0.13 4.85 1.01 -1.26 0.03 116.67 128.60 3hw9 s ASP 290 Ca -0.03 1.22 -0.28 0.00 0.71 0.00 0.00 52.55 54.17 3hw9 s ASP 290 Cb -0.04 -2.52 -0.27 0.00 1.01 0.00 0.00 42.92 41.10 3hw9 s ASP 290 CO -0.02 -0.70 0.79 -0.07 0.21 0.00 0.00 175.17 175.38 3hw9 h LEU 291 N 9.58 0.06 -7.75 1.23 3.38 -1.11 -3.46 115.31 117.23 3hw9 h LEU 291 Ca -0.20 -0.99 -0.45 0.00 0.09 0.00 0.00 57.88 56.33 3hw9 h LEU 291 Cb 1.07 -0.02 -0.35 0.00 0.09 0.00 0.00 40.66 41.45 3hw9 h LEU 291 CO 0.98 1.05 -0.78 -0.69 0.09 0.00 0.00 178.44 179.08 3hw9 s VAL 292 N -2.25 0.69 -0.26 1.22 1.01 -1.05 -4.97 120.40 114.78 3hw9 s VAL 292 Ca -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3hw9 s VAL 292 Cb -0.03 -0.71 0.15 0.00 0.00 0.00 0.00 36.38 35.79 3hw9 s VAL 292 CO 0.71 0.27 0.49 0.21 0.00 0.00 0.00 175.10 176.78 3hw9 s ASN 293 N 1.12 -0.57 0.22 3.32 2.47 -1.25 0.51 114.94 120.76 3hw9 s ASN 293 Ca -0.07 0.70 -0.23 0.00 0.42 0.00 0.00 52.86 53.68 3hw9 s ASN 293 Cb -0.14 1.66 0.04 0.00 -1.45 0.00 0.00 41.25 41.35 3hw9 s ASN 293 CO -0.01 -0.27 0.80 -0.72 -3.72 0.00 0.00 177.10 173.18 3hw9 s TYR 294 N 2.71 -0.19 0.01 0.43 -0.85 -0.80 -0.28 117.35 118.36 3hw9 s TYR 294 Ca 0.12 -0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 3hw9 s TYR 294 Cb -0.15 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 3hw9 s TYR 294 CO -0.18 -1.07 -0.13 -0.06 -1.52 0.00 0.00 175.55 172.60 3hw9 s PHE 295 N -3.68 2.71 -0.12 -3.49 0.40 -0.40 -2.39 117.98 111.01 3hw9 s PHE 295 Ca 0.11 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 3hw9 s PHE 295 Cb -0.04 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3hw9 s PHE 295 CO 0.04 0.28 -0.17 -2.00 0.70 0.00 0.00 175.22 174.07 3hw9 s GLU 296 N -1.26 3.27 -0.11 0.44 -6.30 0.72 0.04 118.70 115.49 3hw9 s GLU 296 Ca 0.15 -0.75 -0.01 0.00 -2.50 0.00 0.00 54.97 51.85 3hw9 s GLU 296 Cb -0.11 -2.53 0.03 0.00 0.00 0.00 0.00 34.13 31.53 3hw9 s GLU 296 CO 0.05 0.19 -0.03 0.08 0.02 0.00 0.00 175.26 175.57 3hw9 s VAL 297 N 0.38 0.70 0.21 3.70 1.01 -0.60 -1.67 120.40 124.15 3hw9 s VAL 297 Ca -0.13 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 3hw9 s VAL 297 Cb -0.17 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.42 3hw9 s VAL 297 CO 0.06 0.24 0.89 -0.83 0.00 0.00 0.00 175.10 175.47 3hw9 s GLY 298 N 1.83 -0.09 -0.11 4.51 0.00 -0.70 -1.16 107.32 111.61 3hw9 s GLY 298 Ca 0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 3hw9 s GLY 298 CO -0.07 0.26 0.35 0.00 0.00 0.00 0.00 173.10 173.64 3hw9 s ALA 299 N -3.20 -0.88 -0.17 3.20 0.00 -0.56 0.34 121.76 120.50 3hw9 s ALA 299 Ca 0.14 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.96 3hw9 s ALA 299 Cb -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3hw9 s ALA 299 CO 0.05 -0.19 -0.19 0.99 0.00 0.00 0.00 175.76 176.42 3hw9 s THR 300 N -0.18 2.20 -0.26 0.00 2.01 0.12 -1.41 115.64 118.12 3hw9 s THR 300 Ca -0.03 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 3hw9 s THR 300 Cb -0.03 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 3hw9 s THR 300 CO 0.01 0.53 0.20 -0.47 -0.69 0.00 0.00 174.62 174.20 3hw9 s TYR 301 N 1.20 3.26 -0.32 4.92 6.14 0.70 -0.24 117.35 133.00 3hw9 s TYR 301 Ca 0.02 0.19 -0.14 0.00 0.64 0.00 0.00 57.07 57.78 3hw9 s TYR 301 Cb -0.14 -2.36 -0.02 0.00 0.42 0.00 0.00 41.96 39.86 3hw9 s TYR 301 CO -0.10 -0.09 0.32 0.71 0.64 0.00 0.00 175.55 177.04 3hw9 s TYR 302 N 1.54 3.22 -0.05 4.97 2.02 -0.65 -1.72 117.35 126.67 3hw9 s TYR 302 Ca 0.08 0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.55 3hw9 s TYR 302 Cb -0.15 -2.58 -0.22 0.00 -0.40 0.00 0.00 41.96 38.61 3hw9 s TYR 302 CO 0.09 -0.35 1.12 0.74 -1.57 0.00 0.00 175.55 175.58 3hw9 h PHE 303 N 8.41 0.05 0.00 2.71 0.04 -1.69 -3.41 116.94 123.04 3hw9 h PHE 303 Ca -0.31 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.44 3hw9 h PHE 303 Cb 1.16 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3hw9 h PHE 303 CO 0.71 0.68 0.00 0.27 -0.60 0.00 0.00 178.31 179.36 3hw9 n ASN 304 N -4.74 2.06 0.01 2.17 0.23 -1.19 -4.99 115.26 108.81 3hw9 n ASN 304 Ca -0.09 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.09 3hw9 n ASN 304 Cb 0.34 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.38 3hw9 n ASN 304 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3hw9 n LYS 305 N 0.00 0.04 -0.04 -3.83 5.02 -1.26 -4.37 118.16 113.72 3hw9 n LYS 305 Ca 0.00 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3hw9 n LYS 305 Cb 0.00 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.43 3hw9 n LYS 305 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hw9 n ASN 306 N -1.59 3.22 -4.42 4.39 4.13 -1.26 -4.88 115.26 114.86 3hw9 n ASN 306 Ca 0.06 -0.02 -0.32 0.00 1.68 0.00 0.00 54.58 55.97 3hw9 n ASN 306 Cb 0.35 0.39 -0.14 0.00 -1.54 0.00 0.00 39.78 38.84 3hw9 n ASN 306 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3hw9 s MET 307 N -2.18 2.56 -0.17 3.52 1.75 -1.26 -0.42 119.30 123.09 3hw9 s MET 307 Ca -0.07 -0.75 -0.22 0.00 -1.25 0.00 0.00 55.69 53.40 3hw9 s MET 307 Cb 0.03 -2.34 0.06 0.00 2.84 0.00 0.00 34.83 35.42 3hw9 s MET 307 CO 0.27 0.54 0.58 -1.54 -0.65 0.00 0.00 175.02 174.22 3hw9 s SER 308 N -0.52 -0.58 0.04 1.11 1.04 -0.59 -1.84 113.70 112.35 3hw9 s SER 308 Ca 0.07 1.00 0.08 0.00 0.48 0.00 0.00 55.95 57.58 3hw9 s SER 308 Cb -0.11 1.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.99 3hw9 s SER 308 CO 0.01 -0.30 -0.22 0.42 0.98 0.00 0.00 173.24 174.13 3hw9 s THR 309 N -0.10 1.77 0.00 2.02 -4.23 -0.70 -0.20 115.64 114.20 3hw9 s THR 309 Ca -0.03 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 3hw9 s THR 309 Cb -0.03 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.28 3hw9 s THR 309 CO 0.03 0.26 0.18 -0.72 -0.54 0.00 0.00 174.62 173.82 3hw9 s TYR 310 N -0.78 -0.00 -0.04 3.99 -0.85 -0.65 -0.22 117.35 118.80 3hw9 s TYR 310 Ca 0.08 -0.06 0.07 0.00 -0.52 0.00 0.00 57.07 56.64 3hw9 s TYR 310 Cb -0.09 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 3hw9 s TYR 310 CO 0.02 -0.32 -0.25 0.08 -1.52 0.00 0.00 175.55 173.56 3hw9 s VAL 311 N -1.43 2.02 -0.16 -3.49 1.01 -0.50 -1.62 120.40 116.22 3hw9 s VAL 311 Ca -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3hw9 s VAL 311 Cb -0.07 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3hw9 s VAL 311 CO 0.02 0.57 0.05 -0.62 0.00 0.00 0.00 175.10 175.11 3hw9 s ASP 312 N -0.36 2.48 -0.15 3.32 -1.08 0.21 -1.49 116.67 119.60 3hw9 s ASP 312 Ca 0.03 -0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 51.41 3hw9 s ASP 312 Cb -0.12 -0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 40.87 3hw9 s ASP 312 CO 0.01 -0.30 -0.06 -0.47 0.52 0.00 0.00 175.17 174.87 3hw9 s TYR 313 N 1.97 2.96 -0.30 -5.34 5.04 -0.31 0.28 117.35 121.66 3hw9 s TYR 313 Ca 0.01 -0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 54.16 3hw9 s TYR 313 Cb -0.16 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.24 3hw9 s TYR 313 CO -0.08 -0.10 0.08 0.42 -1.34 0.00 0.00 175.55 174.54 3hw9 s ILE 314 N 0.39 3.93 -1.11 3.14 -1.09 -0.68 -1.55 121.20 124.23 3hw9 s ILE 314 Ca -0.06 -0.75 -0.17 0.00 -2.23 0.00 0.00 60.65 57.45 3hw9 s ILE 314 Cb -0.15 -3.05 0.13 0.00 -1.58 0.00 0.00 42.46 37.81 3hw9 s ILE 314 CO 0.04 0.05 1.38 -0.63 -1.23 0.00 0.00 174.94 174.55 3hw9 s ILE 315 N 1.49 4.67 -0.08 2.92 1.01 0.11 -3.52 121.20 127.79 3hw9 s ILE 315 Ca 0.02 -1.97 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 3hw9 s ILE 315 Cb -0.17 -4.93 -0.05 0.00 0.01 0.00 0.00 42.46 37.32 3hw9 s ILE 315 CO 0.02 -1.68 1.68 0.21 0.00 0.00 0.00 174.94 175.18 3hw9 s ASN 316 N 3.55 6.57 0.00 3.58 2.47 -1.26 -1.27 114.94 128.57 3hw9 s ASN 316 Ca 0.41 2.16 0.25 0.00 0.42 0.00 0.00 52.86 56.11 3hw9 s ASN 316 Cb -0.02 -2.53 0.53 0.00 -1.45 0.00 0.00 41.25 37.77 3hw9 s ASN 316 CO -0.03 -1.02 1.43 0.00 -3.72 0.00 0.00 177.10 173.76 3hw9 n GLN 317 N 7.28 1.11 -2.05 0.43 1.13 0.61 -4.88 117.38 121.02 3hw9 n GLN 317 Ca 0.18 -0.76 -0.42 0.00 -1.94 0.00 0.00 57.00 54.05 3hw9 n GLN 317 Cb 0.43 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 3hw9 n GLN 317 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hw9 s ILE 318 N -2.42 3.39 0.45 5.09 -1.09 -0.99 -4.95 121.20 120.69 3hw9 s ILE 318 Ca 0.24 0.75 -0.06 0.00 -2.23 0.00 0.00 60.65 59.36 3hw9 s ILE 318 Cb 0.19 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3hw9 s ILE 318 CO 0.51 -0.02 0.76 1.51 -1.23 0.00 0.00 174.94 176.47 3hw9 s ASP 319 N 2.41 6.31 0.00 3.58 -4.77 -1.26 -4.51 116.67 118.44 3hw9 s ASP 319 Ca 0.70 0.92 0.17 0.00 -3.30 0.00 0.00 52.55 51.04 3hw9 s ASP 319 Cb -0.35 -2.24 1.03 0.00 -1.09 0.00 0.00 42.92 40.26 3hw9 s ASP 319 CO 0.29 -0.52 1.50 -1.54 0.70 0.00 0.00 175.17 175.60 3hw9 n SER 320 N -2.03 0.00 -1.63 2.11 3.41 -1.26 -2.53 113.62 111.69 3hw9 n SER 320 Ca 0.00 -0.95 0.09 0.00 -0.26 0.00 0.00 58.87 57.75 3hw9 n SER 320 Cb 0.55 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.86 3hw9 n SER 320 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hw9 n ASP 321 N -0.86 4.84 -4.68 4.04 8.00 -1.26 -4.96 116.55 121.68 3hw9 n ASP 321 Ca 0.13 -2.51 -0.42 0.00 0.71 0.00 0.00 54.79 52.69 3hw9 n ASP 321 Cb 0.06 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 3hw9 n ASP 321 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3hw9 s ASN 322 N -0.86 6.60 0.50 -2.24 3.84 -1.05 -4.90 114.94 116.83 3hw9 s ASN 322 Ca 0.51 2.43 0.28 0.00 0.21 0.00 0.00 52.86 56.29 3hw9 s ASN 322 Cb 0.34 -2.55 1.26 0.00 -0.55 0.00 0.00 41.25 39.75 3hw9 s ASN 322 CO 0.23 -0.92 1.97 0.11 -2.79 0.00 0.00 177.10 175.69 3hw9 h LYS 323 N 9.06 0.00 0.05 0.43 1.79 -1.92 -2.02 116.57 123.96 3hw9 h LYS 323 Ca -0.43 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.81 3hw9 h LYS 323 Cb 1.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3hw9 h LYS 323 CO 0.94 0.15 -1.07 -0.07 -1.08 0.00 0.00 179.45 178.32 3hw9 h LEU 324 N 0.00 0.23 0.00 2.94 3.38 -1.93 -3.46 115.31 116.48 3hw9 h LEU 324 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hw9 h LEU 324 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hw9 h LEU 324 CO 0.02 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.30 3hw9 n GLY 325 N 1.31 1.85 3.77 0.83 0.00 -0.76 -0.73 105.19 111.45 3hw9 n GLY 325 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3hw9 n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw9 s VAL 326 N -2.00 3.11 0.23 1.61 1.01 -1.26 -4.85 120.40 118.25 3hw9 s VAL 326 Ca 0.00 0.99 -0.31 0.00 0.00 0.00 0.00 61.98 62.66 3hw9 s VAL 326 Cb 0.00 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.66 3hw9 s VAL 326 CO 0.00 0.14 1.27 0.61 0.00 0.00 0.00 175.10 177.12 3hw9 n GLY 327 N 0.74 0.38 0.02 4.51 0.00 -1.26 -4.87 105.19 104.70 3hw9 n GLY 327 Ca 0.03 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.55 3hw9 n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hw9 n SER 328 N 1.93 2.89 -4.83 1.61 3.41 0.13 -4.65 113.62 114.11 3hw9 n SER 328 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 3hw9 n SER 328 Cb 0.29 1.19 0.02 0.00 -0.26 0.00 0.00 64.21 65.45 3hw9 n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hw9 s ASP 329 N -3.39 5.84 0.62 4.04 1.01 -0.61 -4.66 116.67 119.52 3hw9 s ASP 329 Ca -0.04 1.60 -0.14 0.00 0.71 0.00 0.00 52.55 54.68 3hw9 s ASP 329 Cb 0.05 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3hw9 s ASP 329 CO 0.37 -1.13 1.05 -1.81 0.21 0.00 0.00 175.17 173.86 3hw9 s ASP 330 N -3.62 5.74 -0.05 0.27 1.01 -1.26 -2.39 116.67 116.37 3hw9 s ASP 330 Ca 0.58 1.72 0.00 0.00 0.71 0.00 0.00 52.55 55.57 3hw9 s ASP 330 Cb -0.13 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3hw9 s ASP 330 CO 0.48 -1.20 -0.02 -0.89 0.21 0.00 0.00 175.17 173.75 3hw9 s THR 331 N -2.67 0.42 -0.17 -1.27 2.01 -1.23 -4.47 115.64 108.26 3hw9 s THR 331 Ca 0.61 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 3hw9 s THR 331 Cb -0.15 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 3hw9 s THR 331 CO 0.42 0.22 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.84 3hw9 s VAL 332 N 1.30 3.63 -0.12 3.82 1.01 -0.25 -1.68 120.40 128.12 3hw9 s VAL 332 Ca -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3hw9 s VAL 332 Cb -0.13 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3hw9 s VAL 332 CO -0.02 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 3hw9 s ALA 333 N 0.67 2.76 -0.12 5.51 0.00 0.14 0.27 121.76 131.00 3hw9 s ALA 333 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 3hw9 s ALA 333 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.72 3hw9 s ALA 333 CO 0.02 0.31 -0.10 0.08 0.00 0.00 0.00 175.76 176.08 3hw9 s VAL 334 N 0.09 1.18 0.03 0.00 1.01 -0.89 -0.62 120.40 121.21 3hw9 s VAL 334 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3hw9 s VAL 334 Cb -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hw9 s VAL 334 CO 0.04 0.39 -0.08 -0.83 0.00 0.00 0.00 175.10 174.62 3hw9 s GLY 335 N 1.60 0.46 -0.11 4.51 0.00 -0.64 -1.91 107.32 111.23 3hw9 s GLY 335 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3hw9 s GLY 335 CO -0.08 -0.61 -0.14 -1.50 0.00 0.00 0.00 173.10 170.76 3hw9 s ILE 336 N -0.92 1.44 -0.08 0.90 2.07 -0.61 -1.64 121.20 122.35 3hw9 s ILE 336 Ca -0.05 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.64 3hw9 s ILE 336 Cb -0.07 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.18 3hw9 s ILE 336 CO 0.00 0.43 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.56 3hw9 s VAL 337 N 1.15 1.86 -0.10 4.00 1.01 0.72 -0.50 120.40 128.53 3hw9 s VAL 337 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3hw9 s VAL 337 Cb -0.14 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3hw9 s VAL 337 CO -0.04 0.52 -0.16 -0.47 0.00 0.00 0.00 175.10 174.95 3hw9 s TYR 338 N 0.31 2.72 0.03 5.22 5.04 -0.59 -1.54 117.35 128.53 3hw9 s TYR 338 Ca -0.15 -0.62 0.01 0.00 -2.44 0.00 0.00 57.07 53.88 3hw9 s TYR 338 Cb -0.17 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 3hw9 s TYR 338 CO 0.07 -0.17 -0.06 1.14 -1.34 0.00 0.00 175.55 175.20 3hw9 s GLN 339 N 0.10 0.42 0.00 4.97 -2.07 0.44 -0.58 119.66 122.95 3hw9 s GLN 339 Ca -0.07 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 3hw9 s GLN 339 Cb -0.15 -0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.59 3hw9 s GLN 339 CO 0.05 0.03 0.19 1.97 -1.32 0.00 0.00 175.29 176.21