#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 4.16 -0.01 0.00 2.12 -1.26 -1.55 118.70 122.16 3hw9 s GLU 2 Ca 0.00 1.76 0.07 0.00 0.36 0.00 0.00 54.97 57.16 3hw9 s GLU 2 Cb 0.00 -3.85 -0.11 0.00 0.26 0.00 0.00 34.13 30.43 3hw9 s GLU 2 CO 0.00 -0.82 0.17 0.44 -0.54 0.00 0.00 175.26 174.52 3hw9 n ILE 3 N 5.54 0.00 -3.95 -3.70 -5.35 -0.57 -4.97 119.36 106.36 3hw9 n ILE 3 Ca 0.15 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 3hw9 n ILE 3 Cb 0.44 0.37 -0.14 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.47 0.14 -0.49 4.28 5.04 -1.08 -4.99 117.35 117.78 3hw9 s TYR 4 Ca -0.02 -0.02 0.06 0.00 -2.44 0.00 0.00 57.07 54.65 3hw9 s TYR 4 Cb 0.05 -0.10 0.22 0.00 0.35 0.00 0.00 41.96 42.48 3hw9 s TYR 4 CO 0.31 -0.01 0.80 -1.71 -1.34 0.00 0.00 175.55 173.60 3hw9 n ASN 5 N 3.08 -2.87 -4.08 4.32 5.15 -1.25 -1.07 115.26 118.55 3hw9 n ASN 5 Ca -0.13 -3.11 -0.18 0.00 -0.60 0.00 0.00 54.58 50.56 3hw9 n ASN 5 Cb 0.59 1.61 -0.13 0.00 -0.53 0.00 0.00 39.78 41.32 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 0.64 0.75 -1.56 1.20 -0.14 -0.74 -4.86 119.74 115.04 3hw9 s LYS 6 Ca 0.31 -0.58 -0.04 0.00 -1.36 0.00 0.00 55.97 54.31 3hw9 s LYS 6 Cb 0.14 -0.70 0.01 0.00 -1.68 0.00 0.00 37.83 35.60 3hw9 s LYS 6 CO -0.17 0.17 0.43 -0.25 -0.76 0.00 0.00 175.35 174.77 3hw9 n ASP 7 N 2.19 -5.73 -0.09 2.83 8.00 -1.26 -1.25 116.55 121.25 3hw9 n ASP 7 Ca -0.17 -0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.11 3hw9 n ASP 7 Cb 0.56 -4.68 -0.00 0.00 -0.02 0.00 0.00 41.12 36.97 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 -1.34 0.47 3.12 0.44 0.00 -1.26 -4.73 105.19 101.89 3hw9 n GLY 8 Ca -0.14 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.21 3.81 -0.11 1.61 2.47 -0.38 -0.44 114.94 119.69 3hw9 s ASN 9 Ca 0.00 -0.93 0.01 0.00 0.42 0.00 0.00 52.86 52.36 3hw9 s ASN 9 Cb 0.00 -1.54 -0.01 0.00 -1.45 0.00 0.00 41.25 38.24 3hw9 s ASN 9 CO 0.00 -0.09 -0.15 -1.59 -3.72 0.00 0.00 177.10 171.55 3hw9 s LYS 10 N 1.24 3.17 -0.13 0.43 0.00 0.07 -1.79 119.74 122.74 3hw9 s LYS 10 Ca -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 55.97 55.25 3hw9 s LYS 10 Cb -0.16 -2.53 -0.01 0.00 0.00 0.00 0.00 37.83 35.13 3hw9 s LYS 10 CO -0.09 0.28 -0.15 0.08 0.00 0.00 0.00 175.35 175.47 3hw9 s VAL 11 N 0.17 2.85 -0.32 1.79 1.01 -0.23 -1.55 120.40 124.12 3hw9 s VAL 11 Ca -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3hw9 s VAL 11 Cb -0.15 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.13 3hw9 s VAL 11 CO 0.05 0.53 0.01 -0.62 0.00 0.00 0.00 175.10 175.08 3hw9 s ASP 12 N 0.38 4.67 -0.40 3.32 -1.08 0.38 -1.51 116.67 122.42 3hw9 s ASP 12 Ca -0.12 -1.96 -0.24 0.00 -0.52 0.00 0.00 52.55 49.70 3hw9 s ASP 12 Cb -0.16 -1.58 0.02 0.00 -1.46 0.00 0.00 42.92 39.73 3hw9 s ASP 12 CO 0.06 -0.34 0.84 -0.22 0.52 0.00 0.00 175.17 176.03 3hw9 s LEU 13 N 0.97 4.10 0.40 -1.34 2.96 -0.60 -0.13 118.68 125.05 3hw9 s LEU 13 Ca 0.06 0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.29 3hw9 s LEU 13 Cb -0.19 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.34 3hw9 s LEU 13 CO -0.08 -0.86 0.09 -0.72 -1.32 0.00 0.00 176.35 173.46 3hw9 s TYR 14 N 3.35 2.56 0.00 5.38 -0.85 -0.21 -0.62 117.35 126.97 3hw9 s TYR 14 Ca 0.33 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 3hw9 s TYR 14 Cb -0.12 -1.81 0.00 0.00 0.38 0.00 0.00 41.96 40.41 3hw9 s TYR 14 CO 0.21 0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.98 3hw9 n GLY 15 N -1.09 1.40 3.18 5.49 0.00 -1.14 -2.33 105.19 110.70 3hw9 n GLY 15 Ca -0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.51 -0.26 1.61 -2.85 -1.10 -1.73 119.74 113.92 3hw9 s LYS 16 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 55.97 54.87 3hw9 s LYS 16 Cb 0.00 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 36.03 3hw9 s LYS 16 CO 0.00 -0.12 -0.05 0.00 0.10 0.00 0.00 175.35 175.28 3hw9 s ALA 17 N -0.91 2.73 -0.36 0.59 0.00 0.21 -0.42 121.76 123.60 3hw9 s ALA 17 Ca -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 3hw9 s ALA 17 Cb -0.05 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.40 3hw9 s ALA 17 CO 0.02 -0.90 0.13 0.08 0.00 0.00 0.00 175.76 175.10 3hw9 s VAL 18 N 1.31 3.58 -0.78 0.00 1.01 -0.35 -2.11 120.40 123.06 3hw9 s VAL 18 Ca -0.01 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 3hw9 s VAL 18 Cb -0.17 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.10 3hw9 s VAL 18 CO -0.04 -0.34 1.23 -0.83 0.00 0.00 0.00 175.10 175.13 3hw9 s GLY 19 N 1.61 1.11 0.00 4.51 0.00 0.48 -2.40 107.32 112.64 3hw9 s GLY 19 Ca 0.01 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.09 3hw9 s GLY 19 CO 0.00 2.49 -0.22 -2.27 0.00 0.00 0.00 173.10 173.10 3hw9 s LEU 20 N 5.07 2.08 0.00 0.66 2.96 -1.26 -1.16 118.68 127.04 3hw9 s LEU 20 Ca 0.34 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3hw9 s LEU 20 Cb -0.08 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.47 3hw9 s LEU 20 CO 0.08 0.25 -0.01 -2.28 -1.32 0.00 0.00 176.35 173.07 3hw9 s HIS 21 N -0.61 0.10 -0.06 5.38 5.65 -0.46 -1.11 115.29 124.18 3hw9 s HIS 21 Ca 0.09 -0.12 0.01 0.00 0.25 0.00 0.00 55.06 55.28 3hw9 s HIS 21 Cb -0.09 -0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.21 3hw9 s HIS 21 CO 0.00 -0.04 -0.07 0.71 -0.65 0.00 0.00 174.74 174.69 3hw9 s TYR 22 N -0.33 2.92 -0.21 3.88 1.51 0.83 -1.52 117.35 124.43 3hw9 s TYR 22 Ca -0.03 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 3hw9 s TYR 22 Cb -0.02 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3hw9 s TYR 22 CO -0.00 0.33 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.56 3hw9 s PHE 23 N -0.82 2.92 0.15 2.71 0.40 0.26 -1.95 117.98 121.66 3hw9 s PHE 23 Ca 0.13 -1.66 -0.19 0.00 -0.60 0.00 0.00 56.93 54.61 3hw9 s PHE 23 Cb -0.11 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.50 3hw9 s PHE 23 CO 0.02 -0.78 0.50 -1.12 0.70 0.00 0.00 175.22 174.53 3hw9 s SER 24 N 1.29 -0.34 -0.05 1.36 0.01 -1.26 -1.27 113.70 113.43 3hw9 s SER 24 Ca 0.02 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 3hw9 s SER 24 Cb -0.15 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 3hw9 s SER 24 CO -0.09 -0.94 0.45 -1.59 0.41 0.00 0.00 173.24 171.47 3hw9 s LYS 25 N -3.81 4.14 0.00 12.44 -2.85 -1.26 -4.87 119.74 123.53 3hw9 s LYS 25 Ca 0.04 0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 3hw9 s LYS 25 Cb 0.00 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 3hw9 s LYS 25 CO -0.10 0.44 0.00 0.41 0.10 0.00 0.00 175.35 176.20 3hw9 n GLY 26 N 2.50 1.97 2.64 0.59 0.00 -1.26 -4.75 105.19 106.88 3hw9 n GLY 26 Ca -0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 5.16 0.22 -0.02 0.00 -1.26 -5.04 105.19 104.24 3hw9 n GLY 28 Ca 0.00 -2.77 -0.18 0.00 0.00 0.00 0.00 46.02 43.08 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 3.88 0.77 -1.09 1.61 4.81 -1.96 -3.33 114.58 119.28 3hw9 h GLU 29 Ca 0.19 -0.65 -0.57 0.00 -0.13 0.00 0.00 59.36 58.19 3hw9 h GLU 29 Cb 0.59 0.14 -0.26 0.00 0.63 0.00 0.00 28.75 29.85 3hw9 h GLU 29 CO 0.88 1.26 0.74 -1.71 -0.73 0.00 0.00 179.01 179.45 3hw9 n ASN 30 N -3.95 6.64 -4.04 1.04 2.85 -1.26 -4.75 115.26 111.80 3hw9 n ASN 30 Ca -0.08 -3.59 -0.22 0.00 -0.11 0.00 0.00 54.58 50.58 3hw9 n ASN 30 Cb 0.76 -0.96 -0.09 0.00 1.24 0.00 0.00 39.78 40.73 3hw9 n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3hw9 s SER 31 N -1.33 2.11 -0.03 1.20 1.04 -1.25 -2.92 113.70 112.53 3hw9 s SER 31 Ca 0.56 -1.60 -0.25 0.00 0.48 0.00 0.00 55.95 55.15 3hw9 s SER 31 Cb 0.45 0.40 -0.19 0.00 0.10 0.00 0.00 66.02 66.78 3hw9 s SER 31 CO 0.01 -0.89 1.13 0.22 0.98 0.00 0.00 173.24 174.70 3hw9 h TYR 32 N 2.03 -0.12 0.00 5.02 3.20 -1.76 -3.39 116.97 121.95 3hw9 h TYR 32 Ca -0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3hw9 h TYR 32 Cb 1.26 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3hw9 h TYR 32 CO 1.21 0.34 -0.60 0.41 -1.64 0.00 0.00 178.16 177.88 3hw9 n GLY 33 N 0.28 0.22 0.00 1.82 0.00 -1.26 -5.00 105.19 101.26 3hw9 n GLY 33 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.48 -1.39 2.96 -0.02 0.00 -1.26 -5.04 105.19 101.91 3hw9 n GLY 34 Ca 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.00 -0.10 0.00 1.61 3.04 -1.26 -4.17 114.94 110.05 3hw9 s ASN 35 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 52.86 53.13 3hw9 s ASN 35 Cb 0.00 0.19 0.00 0.00 -1.54 0.00 0.00 41.25 39.90 3hw9 s ASN 35 CO 0.00 -0.07 0.00 0.61 -3.04 0.00 0.00 177.10 174.60 3hw9 n GLY 36 N 3.37 0.57 3.72 1.21 0.00 -0.82 -4.43 105.19 108.82 3hw9 n GLY 36 Ca -0.17 -2.22 -0.42 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 7.22 -0.23 1.61 2.15 -1.26 -0.12 116.67 122.04 3hw9 s ASP 37 Ca 0.00 1.89 0.15 0.00 0.43 0.00 0.00 52.55 55.03 3hw9 s ASP 37 Cb 0.00 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.51 3hw9 s ASP 37 CO 0.00 -0.34 1.17 0.23 -0.17 0.00 0.00 175.17 176.05 3hw9 n MET 38 N 3.64 2.23 -2.12 4.34 2.81 -0.27 -4.83 117.12 122.92 3hw9 n MET 38 Ca 0.07 -3.55 -0.41 0.00 -1.81 0.00 0.00 57.70 52.00 3hw9 n MET 38 Cb 0.48 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 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 -3.54 2.98 0.10 2.03 2.01 -1.16 -4.46 115.64 113.60 3hw9 s THR 39 Ca 0.39 0.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.10 3hw9 s THR 39 Cb 0.37 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 3hw9 s THR 39 CO -0.03 0.11 0.22 -0.72 -0.69 0.00 0.00 174.62 173.51 3hw9 s TYR 40 N 0.26 0.18 0.03 4.92 1.13 -1.01 -0.26 117.35 122.60 3hw9 s TYR 40 Ca 0.59 -0.59 0.03 0.00 -1.41 0.00 0.00 57.07 55.70 3hw9 s TYR 40 Cb -0.39 -0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.41 3hw9 s TYR 40 CO 0.39 -0.58 -0.10 0.00 -2.51 0.00 0.00 175.55 172.74 3hw9 s ALA 41 N -3.88 0.83 0.14 9.51 0.00 0.19 -1.21 121.76 127.34 3hw9 s ALA 41 Ca 0.07 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.43 3hw9 s ALA 41 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3hw9 s ALA 41 CO -0.09 0.12 -0.17 1.03 0.00 0.00 0.00 175.76 176.64 3hw9 s ARG 42 N -1.11 1.79 -0.16 0.00 1.81 0.44 -0.09 118.95 121.63 3hw9 s ARG 42 Ca -0.02 -1.25 -0.20 0.00 -1.72 0.00 0.00 55.73 52.54 3hw9 s ARG 42 Cb -0.07 -2.08 0.05 0.00 -0.45 0.00 0.00 34.95 32.40 3hw9 s ARG 42 CO 0.01 0.46 0.52 -1.17 -0.68 0.00 0.00 175.30 174.44 3hw9 s LEU 43 N -2.35 0.00 0.00 2.53 2.96 -1.01 -2.71 118.68 118.10 3hw9 s LEU 43 Ca 0.20 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3hw9 s LEU 43 Cb -0.10 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.44 3hw9 s LEU 43 CO 0.11 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 3hw9 n GLY 44 N 2.34 1.39 3.54 7.98 0.00 -0.98 -0.54 105.19 118.92 3hw9 n GLY 44 Ca -0.15 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 2.63 -0.20 1.61 -0.12 -0.90 -1.04 117.98 117.95 3hw9 s PHE 45 Ca 0.00 -0.22 -0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3hw9 s PHE 45 Cb 0.00 -1.35 0.06 0.00 -0.63 0.00 0.00 43.02 41.10 3hw9 s PHE 45 CO 0.00 0.44 0.01 0.21 -0.05 0.00 0.00 175.22 175.84 3hw9 s LYS 46 N -2.40 0.89 0.19 1.99 2.20 0.82 -2.25 119.74 121.18 3hw9 s LYS 46 Ca 0.21 -0.56 0.09 0.00 -0.36 0.00 0.00 55.97 55.35 3hw9 s LYS 46 Cb -0.10 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 3hw9 s LYS 46 CO 0.13 -0.63 -0.06 0.20 -0.36 0.00 0.00 175.35 174.63 3hw9 s GLY 47 N 1.75 1.72 -0.21 5.54 0.00 -0.60 -0.47 107.32 115.05 3hw9 s GLY 47 Ca -0.02 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.11 3hw9 s GLY 47 CO -0.08 -1.51 0.49 1.85 0.00 0.00 0.00 173.10 173.85 3hw9 s GLU 48 N -3.00 0.47 0.05 2.90 2.12 -0.60 -2.80 118.70 117.85 3hw9 s GLU 48 Ca 0.27 0.96 0.08 0.00 0.36 0.00 0.00 54.97 56.63 3hw9 s GLU 48 Cb -0.08 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 3hw9 s GLU 48 CO 0.17 -0.17 -0.22 -0.08 -0.54 0.00 0.00 175.26 174.42 3hw9 s THR 49 N 1.65 1.78 -0.52 -1.70 -1.32 0.40 -0.75 115.64 115.18 3hw9 s THR 49 Ca -0.09 -1.29 -0.17 0.00 -1.21 0.00 0.00 61.69 58.94 3hw9 s THR 49 Cb -0.08 -1.55 0.09 0.00 -1.51 0.00 0.00 72.50 69.46 3hw9 s THR 49 CO -0.15 0.20 0.53 -1.10 -2.21 0.00 0.00 174.62 171.90 3hw9 s GLN 50 N -1.29 3.02 -0.10 7.08 -1.52 0.42 -2.04 119.66 125.23 3hw9 s GLN 50 Ca 0.08 -1.36 -0.23 0.00 -1.95 0.00 0.00 55.36 51.90 3hw9 s GLN 50 Cb -0.09 -4.20 -0.19 0.00 -0.22 0.00 0.00 33.01 28.30 3hw9 s GLN 50 CO 0.02 -1.25 0.74 0.82 -0.25 0.00 0.00 175.29 175.37 3hw9 h ILE 51 N 5.85 1.28 -0.97 1.08 2.04 -1.87 -3.47 117.51 121.45 3hw9 h ILE 51 Ca -0.29 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3hw9 h ILE 51 Cb 1.10 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3hw9 h ILE 51 CO 0.99 0.40 0.00 -0.46 0.00 0.00 0.00 178.15 179.07 3hw9 n ASN 52 N -4.73 0.00 0.26 1.72 0.23 -1.17 -5.00 115.26 106.56 3hw9 n ASN 52 Ca -0.08 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.12 3hw9 n ASN 52 Cb 0.34 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.54 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 -3.35 113.55 108.72 3hw9 h SER 53 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3hw9 h SER 53 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hw9 h SER 53 CO 0.00 0.01 -1.23 0.47 -1.14 0.00 0.00 176.83 174.94 3hw9 n ASP 54 N -3.10 4.10 -4.86 3.07 8.00 -1.26 -4.97 116.55 117.53 3hw9 n ASP 54 Ca 0.02 -0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 3hw9 n ASP 54 Cb 0.39 0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.89 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 -4.43 4.41 -0.04 0.64 2.96 -1.26 -0.27 118.68 120.70 3hw9 s LEU 55 Ca -0.02 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3hw9 s LEU 55 Cb 0.01 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3hw9 s LEU 55 CO 0.13 0.37 0.07 -0.89 -1.32 0.00 0.00 176.35 174.70 3hw9 s THR 56 N -0.98 -0.09 -0.06 3.68 2.01 0.83 -2.98 115.64 118.05 3hw9 s THR 56 Ca 0.18 0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 3hw9 s THR 56 Cb -0.13 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3hw9 s THR 56 CO 0.07 0.11 0.08 -0.83 -0.69 0.00 0.00 174.62 173.36 3hw9 s GLY 57 N 1.47 2.02 0.03 4.40 0.00 -0.87 0.36 107.32 114.73 3hw9 s GLY 57 Ca -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 3hw9 s GLY 57 CO -0.04 -0.58 0.06 -2.52 0.00 0.00 0.00 173.10 170.03 3hw9 s TYR 58 N -1.06 0.22 -0.16 1.90 -0.85 -0.00 -0.46 117.35 116.94 3hw9 s TYR 58 Ca 0.18 -0.51 -0.14 0.00 -0.52 0.00 0.00 57.07 56.07 3hw9 s TYR 58 Cb -0.12 -0.16 0.04 0.00 0.38 0.00 0.00 41.96 42.10 3hw9 s TYR 58 CO 0.08 -0.32 0.43 0.20 -1.52 0.00 0.00 175.55 174.42 3hw9 s GLY 59 N -1.95 -0.32 -0.01 5.49 0.00 -1.12 -0.66 107.32 108.75 3hw9 s GLY 59 Ca -0.08 1.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 3hw9 s GLY 59 CO -0.03 1.11 0.02 1.62 0.00 0.00 0.00 173.10 175.81 3hw9 s GLN 60 N 0.34 0.02 0.01 2.90 0.74 -0.43 -1.55 119.66 121.69 3hw9 s GLN 60 Ca -0.01 0.04 0.03 0.00 0.05 0.00 0.00 55.36 55.47 3hw9 s GLN 60 Cb -0.03 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.05 3hw9 s GLN 60 CO -0.01 -0.02 -0.09 -0.46 -0.55 0.00 0.00 175.29 174.16 3hw9 s TRP 61 N 0.12 0.80 -0.06 1.67 -0.00 -0.96 -1.81 118.94 118.72 3hw9 s TRP 61 Ca -0.01 -0.25 -0.04 0.00 -0.00 0.00 0.00 56.10 55.80 3hw9 s TRP 61 Cb -0.01 -0.50 0.02 0.00 -0.00 0.00 0.00 33.47 32.98 3hw9 s TRP 61 CO -0.00 -0.01 0.14 -2.00 -0.00 0.00 0.00 176.95 175.07 3hw9 s GLU 62 N -0.65 0.15 0.04 5.86 2.12 0.16 -2.12 118.70 124.26 3hw9 s GLU 62 Ca 0.00 0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.60 3hw9 s GLU 62 Cb -0.05 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 3hw9 s GLU 62 CO 0.00 -0.05 -0.11 -0.47 -0.54 0.00 0.00 175.26 174.09 3hw9 s TYR 63 N 0.31 0.98 -0.22 5.30 5.04 0.30 -0.25 117.35 128.82 3hw9 s TYR 63 Ca -0.02 -0.39 -0.05 0.00 -2.44 0.00 0.00 57.07 54.18 3hw9 s TYR 63 Cb -0.03 -0.58 -0.02 0.00 0.35 0.00 0.00 41.96 41.68 3hw9 s TYR 63 CO -0.01 0.00 -0.01 1.21 -1.34 0.00 0.00 175.55 175.40 3hw9 s ASN 64 N -1.28 4.58 -0.15 4.32 2.47 -0.28 -2.41 114.94 122.18 3hw9 s ASN 64 Ca -0.02 -0.30 -0.03 0.00 0.42 0.00 0.00 52.86 52.92 3hw9 s ASN 64 Cb -0.08 -1.79 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 3hw9 s ASN 64 CO 0.01 0.01 -0.05 -0.36 -3.72 0.00 0.00 177.10 172.99 3hw9 s PHE 65 N 1.32 3.00 -0.19 0.43 0.08 0.87 -2.89 117.98 120.60 3hw9 s PHE 65 Ca 0.04 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.61 3hw9 s PHE 65 Cb -0.14 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 3hw9 s PHE 65 CO -0.00 -0.04 0.35 -0.65 -0.10 0.00 0.00 175.22 174.78 3hw9 s GLN 66 N 0.32 4.20 0.00 0.44 -1.52 -1.26 0.53 119.66 122.37 3hw9 s GLN 66 Ca -0.05 0.15 0.22 0.00 -1.95 0.00 0.00 55.36 53.74 3hw9 s GLN 66 Cb -0.14 -3.50 0.40 0.00 -0.22 0.00 0.00 33.01 29.55 3hw9 s GLN 66 CO 0.03 0.06 1.37 0.41 -0.25 0.00 0.00 175.29 176.92 3hw9 n GLY 67 N 3.75 1.69 0.65 3.09 0.00 0.65 -4.17 105.19 110.85 3hw9 n GLY 67 Ca -0.10 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 1.43 2.10 -4.91 1.61 6.94 -0.94 -4.78 115.26 116.71 3hw9 n ASN 68 Ca 0.19 -1.64 -0.28 0.00 -0.02 0.00 0.00 54.58 52.83 3hw9 n ASN 68 Cb 0.59 0.06 0.01 0.00 -2.36 0.00 0.00 39.78 38.08 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 -2.10 6.01 0.82 0.53 0.01 -1.26 -5.03 114.94 113.92 3hw9 s ASN 69 Ca 0.31 0.92 -0.06 0.00 -0.71 0.00 0.00 52.86 53.32 3hw9 s ASN 69 Cb 0.20 -2.08 0.16 0.00 0.41 0.00 0.00 41.25 39.94 3hw9 s ASN 69 CO 0.36 -0.80 1.12 -0.94 -1.51 0.00 0.00 177.10 175.33 3hw9 s SER 70 N -4.19 3.84 0.00 -1.22 1.04 -1.26 -5.00 113.70 106.91 3hw9 s SER 70 Ca 0.51 -0.19 0.17 0.00 0.48 0.00 0.00 55.95 56.92 3hw9 s SER 70 Cb -0.10 -0.03 0.49 0.00 0.10 0.00 0.00 66.02 66.47 3hw9 s SER 70 CO 0.46 -2.22 1.41 -0.62 0.98 0.00 0.00 173.24 173.25 3hw9 n GLU 71 N -3.19 2.23 0.00 4.02 1.02 -1.26 -3.91 120.64 119.55 3hw9 n GLU 71 Ca 0.16 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 3hw9 n GLU 71 Cb 0.60 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.35 0.58 0.11 0.62 0.00 -1.26 -4.89 105.19 101.71 3hw9 n GLY 72 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.90 0.09 -0.62 4.61 0.00 -2.04 -3.32 119.26 116.07 3hw9 h ALA 73 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 54.91 53.60 3hw9 h ALA 73 Cb 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 17.79 17.70 3hw9 h ALA 73 CO 0.00 0.96 0.48 -0.40 0.00 0.00 0.00 179.25 180.29 3hw9 n ASP 74 N -3.55 5.22 0.16 0.00 5.75 -1.26 -4.51 116.55 118.35 3hw9 n ASP 74 Ca -0.12 -3.14 0.13 0.00 -0.01 0.00 0.00 54.79 51.66 3hw9 n ASP 74 Cb 1.04 -0.88 0.43 0.00 -1.03 0.00 0.00 41.12 40.68 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 1.51 1.00 -0.23 2.12 0.00 -1.68 -3.24 119.26 118.74 3hw9 h ALA 75 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hw9 h ALA 75 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hw9 h ALA 75 CO 0.85 0.00 0.00 1.04 0.00 0.00 0.00 179.25 181.14 3hw9 n GLN 76 N -2.55 2.10 -2.09 0.00 1.13 -1.26 -4.92 117.38 109.78 3hw9 n GLN 76 Ca 0.04 -1.73 -0.43 0.00 -1.94 0.00 0.00 57.00 52.94 3hw9 n GLN 76 Cb 0.38 -1.24 -0.03 0.00 0.11 0.00 0.00 30.24 29.46 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 -0.96 3.68 0.00 5.09 2.01 -1.22 -2.49 115.64 121.76 3hw9 s THR 77 Ca 0.19 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.98 3hw9 s THR 77 Cb 0.10 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3hw9 s THR 77 CO 0.14 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 3hw9 n GLY 78 N 4.44 0.66 3.56 4.40 0.00 -1.26 -4.72 105.19 112.27 3hw9 n GLY 78 Ca 0.18 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.18 6.15 0.16 1.61 0.01 -1.04 -4.56 114.94 115.09 3hw9 s ASN 79 Ca 0.00 -0.13 -0.15 0.00 -0.71 0.00 0.00 52.86 51.87 3hw9 s ASN 79 Cb 0.00 -2.18 0.02 0.00 0.41 0.00 0.00 41.25 39.51 3hw9 s ASN 79 CO 0.00 -0.25 0.43 -1.59 -1.51 0.00 0.00 177.10 174.18 3hw9 s LYS 80 N 1.94 1.20 -0.21 -0.60 0.00 -1.14 -5.01 119.74 115.92 3hw9 s LYS 80 Ca 0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 55.97 54.99 3hw9 s LYS 80 Cb -0.16 0.47 -0.01 0.00 0.00 0.00 0.00 37.83 38.13 3hw9 s LYS 80 CO 0.11 -0.48 0.79 0.99 0.00 0.00 0.00 175.35 176.76 3hw9 s THR 81 N -3.86 4.89 -0.16 3.79 2.01 -1.26 -1.13 115.64 119.92 3hw9 s THR 81 Ca 0.08 1.51 -0.20 0.00 0.31 0.00 0.00 61.69 63.39 3hw9 s THR 81 Cb 0.01 -4.09 -0.17 0.00 0.01 0.00 0.00 72.50 68.26 3hw9 s THR 81 CO -0.06 -0.00 0.36 0.03 -0.69 0.00 0.00 174.62 174.25 3hw9 h ARG 82 N 7.54 0.00 -5.62 4.92 3.08 -0.97 -3.48 114.38 119.84 3hw9 h ARG 82 Ca -0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.26 3hw9 h ARG 82 Cb 1.12 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.89 3hw9 h ARG 82 CO 0.84 0.74 -0.82 -0.51 -1.07 0.00 0.00 179.97 179.15 3hw9 s LEU 83 N -8.15 2.09 -0.37 3.04 1.43 -1.14 -4.71 118.68 110.88 3hw9 s LEU 83 Ca -0.19 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3hw9 s LEU 83 Cb 0.01 -0.82 0.19 0.00 0.03 0.00 0.00 46.19 45.59 3hw9 s LEU 83 CO 0.50 0.16 0.66 0.00 0.23 0.00 0.00 176.35 177.90 3hw9 s ALA 84 N -0.58 -2.57 0.10 4.21 0.00 -0.75 -0.67 121.76 121.51 3hw9 s ALA 84 Ca 0.06 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3hw9 s ALA 84 Cb -0.07 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.36 3hw9 s ALA 84 CO 0.00 -2.12 0.30 -0.59 0.00 0.00 0.00 175.76 173.35 3hw9 s PHE 85 N 2.17 -0.04 -0.01 0.00 -0.12 -0.75 0.17 117.98 119.40 3hw9 s PHE 85 Ca 0.15 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 3hw9 s PHE 85 Cb -0.05 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3hw9 s PHE 85 CO -0.13 -0.62 0.00 0.00 -0.05 0.00 0.00 175.22 174.42 3hw9 s ALA 86 N -3.76 0.07 0.30 1.99 0.00 -1.02 -1.32 121.76 118.02 3hw9 s ALA 86 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 3hw9 s ALA 86 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hw9 s ALA 86 CO -0.11 -0.01 0.54 0.20 0.00 0.00 0.00 175.76 176.38 3hw9 s GLY 87 N 0.24 0.71 -0.07 0.00 0.00 0.17 -2.14 107.32 106.23 3hw9 s GLY 87 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.74 3hw9 s GLY 87 CO -0.01 -0.64 -0.12 1.08 0.00 0.00 0.00 173.10 173.42 3hw9 s LEU 88 N -3.08 1.62 -0.18 0.66 1.43 -0.82 -0.82 118.68 117.50 3hw9 s LEU 88 Ca 0.23 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 3hw9 s LEU 88 Cb -0.02 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 3hw9 s LEU 88 CO 0.12 0.03 0.04 -0.75 0.23 0.00 0.00 176.35 176.01 3hw9 s LYS 89 N 0.71 3.88 -0.53 1.70 2.47 0.16 -1.65 119.74 126.48 3hw9 s LYS 89 Ca -0.14 -0.40 0.04 0.00 -1.56 0.00 0.00 55.97 53.91 3hw9 s LYS 89 Cb -0.16 -3.15 0.14 0.00 -1.46 0.00 0.00 37.83 33.21 3hw9 s LYS 89 CO 0.03 0.24 0.30 -0.47 0.16 0.00 0.00 175.35 175.61 3hw9 s TYR 90 N 0.44 2.87 0.00 4.03 5.04 0.09 -0.12 117.35 129.70 3hw9 s TYR 90 Ca 0.01 -2.98 0.00 0.00 -2.44 0.00 0.00 57.07 51.66 3hw9 s TYR 90 Cb -0.13 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.69 3hw9 s TYR 90 CO 0.01 -0.72 0.00 0.00 -1.34 0.00 0.00 175.55 173.50 3hw9 n ALA 91 N 3.01 0.00 0.32 3.97 0.00 0.63 -0.86 120.51 127.57 3hw9 n ALA 91 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 3hw9 n ALA 91 Cb 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 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 5.01 0.68 -0.03 0.00 8.00 -1.26 -4.52 116.55 124.42 3hw9 n ASP 92 Ca 0.00 -0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.04 3hw9 n ASP 92 Cb 0.00 1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 42.61 3hw9 n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hw9 h VAL 93 N 0.00 1.19 0.00 2.53 2.07 -1.33 -3.36 116.25 117.35 3hw9 h VAL 93 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hw9 h VAL 93 Cb 0.73 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3hw9 h VAL 93 CO 0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 3hw9 n GLY 94 N -0.54 0.86 3.28 2.17 0.00 -1.20 -4.82 105.19 104.95 3hw9 n GLY 94 Ca -0.05 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.00 2.65 -0.16 1.61 1.04 0.06 -0.73 113.70 114.16 3hw9 s SER 95 Ca 0.00 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 3hw9 s SER 95 Cb 0.00 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.97 3hw9 s SER 95 CO 0.00 0.16 0.04 0.12 0.98 0.00 0.00 173.24 174.54 3hw9 s PHE 96 N -0.89 0.76 0.11 5.02 5.36 -0.66 -0.68 117.98 127.01 3hw9 s PHE 96 Ca 0.08 -0.60 0.09 0.00 -0.96 0.00 0.00 56.93 55.55 3hw9 s PHE 96 Cb -0.09 -0.90 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 3hw9 s PHE 96 CO 0.03 -0.53 -0.23 0.16 -1.46 0.00 0.00 175.22 173.19 3hw9 s ASP 97 N 1.95 2.76 -0.00 6.13 1.47 -0.90 -1.94 116.67 126.13 3hw9 s ASP 97 Ca 0.01 -0.70 0.02 0.00 1.18 0.00 0.00 52.55 53.06 3hw9 s ASP 97 Cb -0.16 -0.16 -0.01 0.00 -0.34 0.00 0.00 42.92 42.25 3hw9 s ASP 97 CO -0.08 0.10 -0.08 -0.47 0.68 0.00 0.00 175.17 175.32 3hw9 s TYR 98 N -1.12 0.67 -5.00 2.11 5.04 -0.91 -1.24 117.35 116.90 3hw9 s TYR 98 Ca 0.09 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 3hw9 s TYR 98 Cb -0.10 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.78 3hw9 s TYR 98 CO 0.05 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.65 3hw9 n GLY 99 N 2.78 0.74 3.62 8.97 0.00 -1.16 -2.42 105.19 117.72 3hw9 n GLY 99 Ca -0.14 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 4.02 0.25 1.61 3.52 0.13 -1.82 118.95 124.65 3hw9 s ARG 100 Ca 0.00 0.68 -0.13 0.00 -0.13 0.00 0.00 55.73 56.15 3hw9 s ARG 100 Cb 0.00 -3.71 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3hw9 s ARG 100 CO 0.00 -0.65 0.49 1.21 -0.81 0.00 0.00 175.30 175.54 3hw9 s ASN 101 N 1.56 -0.10 0.49 -2.12 3.84 -1.03 -1.80 114.94 115.77 3hw9 s ASN 101 Ca 0.33 -0.91 -0.23 0.00 0.21 0.00 0.00 52.86 52.26 3hw9 s ASN 101 Cb -0.14 0.59 -0.07 0.00 -0.55 0.00 0.00 41.25 41.08 3hw9 s ASN 101 CO 0.11 -1.15 1.30 -0.31 -2.79 0.00 0.00 177.10 174.27 3hw9 s TYR 102 N -4.01 2.57 0.87 0.43 2.02 -1.26 -1.61 117.35 116.36 3hw9 s TYR 102 Ca 0.22 1.42 -0.12 0.00 -0.37 0.00 0.00 57.07 58.21 3hw9 s TYR 102 Cb -0.01 -3.67 0.11 0.00 -0.40 0.00 0.00 41.96 38.00 3hw9 s TYR 102 CO 0.09 -2.36 1.11 0.20 -1.57 0.00 0.00 175.55 173.02 3hw9 s GLY 103 N -0.98 1.60 0.23 0.71 0.00 0.27 -4.88 107.32 104.27 3hw9 s GLY 103 Ca 0.65 -0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.32 3hw9 s GLY 103 CO 0.45 0.19 1.76 3.33 0.00 0.00 0.00 173.10 178.84 3hw9 n VAL 104 N -3.70 0.66 0.18 1.40 0.24 -1.21 -2.57 118.33 113.33 3hw9 n VAL 104 Ca 0.07 -0.17 0.06 0.00 -2.04 0.00 0.00 64.34 62.26 3hw9 n VAL 104 Cb 0.57 -0.73 0.18 0.00 -1.47 0.00 0.00 33.84 32.40 3hw9 n VAL 104 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3hw9 h VAL 105 N 0.00 0.63 0.00 3.34 2.07 -1.74 -3.07 116.25 117.48 3hw9 h VAL 105 Ca 0.00 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 3hw9 h VAL 105 Cb 0.66 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3hw9 h VAL 105 CO 0.00 0.33 -0.03 0.22 0.02 0.00 0.00 177.57 178.11 3hw9 h TYR 106 N 0.00 0.00 -0.03 1.57 3.20 -1.39 -1.89 116.97 118.43 3hw9 h TYR 106 Ca -0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3hw9 h TYR 106 Cb 1.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 3hw9 h TYR 106 CO 0.00 0.03 0.03 -0.44 -1.64 0.00 0.00 178.16 176.15 3hw9 h ASP 107 N 0.00 0.00 0.01 -2.11 3.32 -1.66 0.38 116.42 116.36 3hw9 h ASP 107 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3hw9 h ASP 107 Cb 0.38 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 3hw9 h ASP 107 CO 0.00 0.00 -2.42 0.00 -1.72 0.00 0.00 179.24 175.11 3hw9 n ALA 108 N -2.30 1.45 0.53 3.45 0.00 -0.78 -4.51 120.51 118.35 3hw9 n ALA 108 Ca -0.02 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.36 3hw9 n ALA 108 Cb 0.12 -0.16 0.35 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 0.00 0.00 0.00 3.38 -1.03 -3.15 115.31 114.51 3hw9 h LEU 109 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3hw9 h LEU 109 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 3hw9 h LEU 109 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 3hw9 n GLY 110 N 1.25 -0.90 0.26 0.83 0.00 0.13 -3.23 105.19 103.54 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 1.13 -0.01 1.61 -1.99 -1.80 -3.30 116.97 112.61 3hw9 h TYR 111 Ca 0.00 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.38 3hw9 h TYR 111 Cb 0.16 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.65 3hw9 h TYR 111 CO 0.00 1.18 -0.40 0.25 -0.00 0.00 0.00 178.16 179.19 3hw9 n THR 112 N -4.05 0.00 -2.03 -2.88 -2.24 -1.20 -4.65 114.28 97.24 3hw9 n THR 112 Ca -0.03 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3hw9 n THR 112 Cb 0.56 1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.01 5.51 -0.22 3.42 2.03 -1.22 -4.34 116.55 121.75 3hw9 n ASP 113 Ca 0.08 -2.99 0.01 0.00 0.52 0.00 0.00 54.79 52.41 3hw9 n ASP 113 Cb 0.43 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 39.33 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 4.13 0.46 -2.53 -0.67 2.81 -1.26 -4.99 117.12 115.08 3hw9 n MET 114 Ca 0.50 -1.07 -0.32 0.00 -1.81 0.00 0.00 57.70 55.00 3hw9 n MET 114 Cb 0.34 -0.67 -0.04 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.45 3.69 0.24 4.03 1.43 -1.26 -4.98 118.68 121.37 3hw9 s LEU 115 Ca 0.04 1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3hw9 s LEU 115 Cb 0.03 -4.40 0.44 0.00 0.03 0.00 0.00 46.19 42.30 3hw9 s LEU 115 CO 0.00 -0.53 1.71 -0.65 0.23 0.00 0.00 176.35 177.12 3hw9 h PRO 116 N 1.06 0.35 0.00 1.29 0.11 -1.95 -3.40 132.00 129.47 3hw9 h PRO 116 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hw9 h PRO 116 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hw9 h PRO 116 CO 0.62 0.23 -0.19 -1.91 -0.21 0.00 0.00 178.00 176.54 3hw9 n GLU 117 N -5.07 0.00 0.00 1.05 4.07 -1.26 -5.05 120.64 114.38 3hw9 n GLU 117 Ca 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 3hw9 n GLU 117 Cb 0.42 -0.21 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 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 -3.15 0.00 0.00 4.31 3.72 -1.26 -5.07 117.46 116.01 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 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -2.39 2.78 1.37 0.00 -1.26 -4.29 105.19 106.41 3hw9 n GLY 119 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.05 -0.10 0.20 -0.02 0.00 -1.26 -4.93 105.19 97.03 3hw9 n GLY 120 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.52 0.00 1.41 1.61 5.19 -1.96 -2.86 116.42 118.29 3hw9 h ASP 121 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3hw9 h ASP 121 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3hw9 h ASP 121 CO 0.36 0.35 0.00 0.35 -3.12 0.00 0.00 179.24 177.18 3hw9 n THR 122 N -3.73 0.57 -2.25 0.35 -2.24 -1.26 -4.35 114.28 101.37 3hw9 n THR 122 Ca -0.01 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 3hw9 n THR 122 Cb 0.44 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.77 4.88 -1.81 6.98 0.00 -1.08 -4.84 120.51 122.87 3hw9 n ALA 123 Ca 0.06 -4.06 -0.40 0.00 0.00 0.00 0.00 53.44 49.03 3hw9 n ALA 123 Cb 0.42 -3.31 -0.05 0.00 0.00 0.00 0.00 19.45 16.50 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 2.30 3.75 0.27 0.00 2.02 -1.26 -4.68 117.35 119.75 3hw9 s TYR 124 Ca 0.45 1.78 -0.29 0.00 -0.37 0.00 0.00 57.07 58.64 3hw9 s TYR 124 Cb 0.08 -3.16 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 3hw9 s TYR 124 CO -0.02 -0.13 1.07 -1.12 -1.57 0.00 0.00 175.55 173.79 3hw9 s SER 125 N -0.88 7.32 -1.33 2.29 0.01 -1.26 -2.82 113.70 117.03 3hw9 s SER 125 Ca 0.44 2.22 -0.05 0.00 1.31 0.00 0.00 55.95 59.86 3hw9 s SER 125 Cb -0.29 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.34 3hw9 s SER 125 CO 0.36 -0.10 0.99 0.47 0.41 0.00 0.00 173.24 175.37 3hw9 n ASP 126 N 1.22 -3.66 -3.30 2.44 8.00 0.79 -4.94 116.55 117.10 3hw9 n ASP 126 Ca -0.01 -0.67 -0.25 0.00 0.71 0.00 0.00 54.79 54.56 3hw9 n ASP 126 Cb 0.45 -4.63 -0.08 0.00 -0.02 0.00 0.00 41.12 36.84 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 -3.03 1.58 0.00 -2.24 2.03 -1.24 -4.58 116.55 109.07 3hw9 n ASP 127 Ca -0.14 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.19 3hw9 n ASP 127 Cb 0.61 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 1.26 0.00 -0.06 -0.67 3.72 -1.26 -2.65 117.46 117.79 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 0.09 1.38 3.72 -1.26 -4.84 117.46 116.55 3hw9 n PHE 129 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 3hw9 n PHE 129 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.06 1.56 -0.20 -4.37 -1.51 -1.78 -2.36 116.25 107.65 3hw9 h VAL 130 Ca 0.00 -2.92 0.00 0.00 -1.23 0.00 0.00 66.70 62.55 3hw9 h VAL 130 Cb 0.03 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 3hw9 h VAL 130 CO 0.00 0.82 0.00 0.61 -1.23 0.00 0.00 177.57 177.77 3hw9 n GLY 131 N 0.99 5.41 3.66 5.19 0.00 -1.13 -4.04 105.19 115.27 3hw9 n GLY 131 Ca -0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 1.86 4.19 0.00 1.61 0.52 -1.26 -0.56 118.95 125.31 3hw9 s ARG 132 Ca 0.00 1.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.82 3hw9 s ARG 132 Cb 0.00 -3.77 -0.01 0.00 0.52 0.00 0.00 34.95 31.69 3hw9 s ARG 132 CO 0.00 -0.75 -0.07 0.54 0.02 0.00 0.00 175.30 175.04 3hw9 s VAL 133 N 3.59 0.52 0.21 3.52 0.11 -0.63 -0.15 120.40 127.57 3hw9 s VAL 133 Ca 0.54 -0.40 -0.25 0.00 -2.93 0.00 0.00 61.98 58.95 3hw9 s VAL 133 Cb -0.21 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 3hw9 s VAL 133 CO 0.15 0.07 0.80 -0.83 -3.33 0.00 0.00 175.10 171.96 3hw9 s GLY 134 N -0.36 2.86 -0.09 6.54 0.00 -1.26 -2.47 107.32 112.53 3hw9 s GLY 134 Ca 0.01 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 3hw9 s GLY 134 CO -0.00 0.83 0.08 0.61 0.00 0.00 0.00 173.10 174.63 3hw9 n GLY 135 N 1.25 0.44 2.95 0.20 0.00 -0.95 -4.81 105.19 104.27 3hw9 n GLY 135 Ca -0.04 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.03 0.85 -0.54 1.61 -7.23 -0.75 -2.48 120.40 108.83 3hw9 s VAL 136 Ca 0.03 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.74 3hw9 s VAL 136 Cb -0.00 -0.82 0.11 0.00 0.56 0.00 0.00 36.38 36.23 3hw9 s VAL 136 CO 0.07 0.30 0.54 0.00 -0.31 0.00 0.00 175.10 175.70 3hw9 s ALA 137 N 0.86 3.56 -0.31 1.32 0.00 -0.98 -2.96 121.76 123.25 3hw9 s ALA 137 Ca -0.11 -2.32 -0.10 0.00 0.00 0.00 0.00 51.96 49.42 3hw9 s ALA 137 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3hw9 s ALA 137 CO 0.01 -2.04 0.15 0.99 0.00 0.00 0.00 175.76 174.87 3hw9 s THR 138 N 1.94 4.65 -0.23 0.00 2.01 -0.37 -2.06 115.64 121.58 3hw9 s THR 138 Ca 0.06 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 3hw9 s THR 138 Cb -0.27 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3hw9 s THR 138 CO 0.05 0.09 0.31 -0.47 -0.69 0.00 0.00 174.62 173.91 3hw9 s TYR 139 N 1.63 3.32 -0.06 4.92 5.04 0.23 -2.12 117.35 130.31 3hw9 s TYR 139 Ca 0.05 0.43 0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3hw9 s TYR 139 Cb -0.17 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.68 3hw9 s TYR 139 CO 0.06 -0.05 -0.24 1.03 -1.34 0.00 0.00 175.55 175.02 3hw9 s ARG 140 N 1.43 2.45 -0.05 4.97 0.52 0.15 -0.96 118.95 127.47 3hw9 s ARG 140 Ca 0.14 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3hw9 s ARG 140 Cb -0.15 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 3hw9 s ARG 140 CO 0.08 0.36 -0.18 1.21 0.02 0.00 0.00 175.30 176.78 3hw9 s ASN 141 N -0.12 3.69 -0.16 0.23 3.84 -0.03 -0.76 114.94 121.63 3hw9 s ASN 141 Ca -0.04 -0.31 -0.01 0.00 0.21 0.00 0.00 52.86 52.71 3hw9 s ASN 141 Cb -0.14 -0.79 -0.01 0.00 -0.55 0.00 0.00 41.25 39.76 3hw9 s ASN 141 CO 0.04 0.31 -0.11 -0.55 -2.79 0.00 0.00 177.10 174.00 3hw9 s SER 142 N -0.55 4.06 -1.45 -4.21 0.15 -1.26 -3.31 113.70 107.12 3hw9 s SER 142 Ca 0.08 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 3hw9 s SER 142 Cb -0.11 -1.64 0.04 0.00 -1.71 0.00 0.00 66.02 62.60 3hw9 s SER 142 CO 0.01 0.11 0.74 0.59 1.20 0.00 0.00 173.24 175.88 3hw9 n ASN 143 N 3.92 -5.19 -3.63 5.45 3.02 -1.11 -3.36 115.26 114.35 3hw9 n ASN 143 Ca -0.18 -0.46 -0.29 0.00 -0.03 0.00 0.00 54.58 53.61 3hw9 n ASN 143 Cb 0.52 -4.18 0.02 0.00 -0.61 0.00 0.00 39.78 35.52 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 -4.46 -2.37 -2.19 3.10 7.35 0.71 -1.33 117.46 118.27 3hw9 n PHE 144 Ca -0.03 0.98 -0.17 0.00 -0.76 0.00 0.00 57.45 57.46 3hw9 n PHE 144 Cb 0.57 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.90 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 -1.60 -0.93 -2.83 -5.13 3.72 -1.22 -1.91 117.46 107.56 3hw9 n PHE 145 Ca -0.21 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.07 3hw9 n PHE 145 Cb 0.68 -3.37 0.03 0.00 -0.94 0.00 0.00 39.48 35.88 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 -0.78 0.14 0.93 1.37 0.00 -0.83 -4.85 105.19 101.18 3hw9 n GLY 146 Ca -0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.43 0.35 -4.18 0.99 4.77 -0.44 -4.99 117.00 111.08 3hw9 n LEU 147 Ca -0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.59 3hw9 n LEU 147 Cb 0.55 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 3hw9 n LEU 147 CO 0.28 0.03 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.42 3hw9 s VAL 148 N -1.99 3.32 0.04 4.08 1.01 -0.88 -5.04 120.40 120.94 3hw9 s VAL 148 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 3hw9 s VAL 148 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 3hw9 s VAL 148 CO 0.00 -0.33 1.62 -1.81 0.00 0.00 0.00 175.10 174.57 3hw9 s ASP 149 N 1.52 6.65 0.00 3.32 1.01 -1.26 -2.72 116.67 125.19 3hw9 s ASP 149 Ca 0.00 2.39 0.00 0.00 0.71 0.00 0.00 52.55 55.65 3hw9 s ASP 149 Cb -0.21 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3hw9 s ASP 149 CO -0.01 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.11 3hw9 n GLY 150 N 3.97 2.69 3.56 0.21 0.00 -1.26 -4.91 105.19 109.43 3hw9 n GLY 150 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.77 -0.09 0.99 2.96 -1.10 -3.15 118.68 122.06 3hw9 s LEU 151 Ca 0.00 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3hw9 s LEU 151 Cb 0.00 -3.07 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 3hw9 s LEU 151 CO 0.00 -1.32 -0.24 0.20 -1.32 0.00 0.00 176.35 173.67 3hw9 s ASN 152 N 2.80 3.05 0.16 3.68 0.01 0.20 -0.21 114.94 124.63 3hw9 s ASN 152 Ca 0.38 -0.54 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 3hw9 s ASN 152 Cb -0.10 -1.29 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 3hw9 s ASN 152 CO 0.24 0.17 -0.16 0.72 -1.51 0.00 0.00 177.10 176.56 3hw9 s PHE 153 N 0.26 1.66 0.02 2.20 -0.71 -1.21 0.14 117.98 120.34 3hw9 s PHE 153 Ca -0.16 -0.52 -0.04 0.00 -1.04 0.00 0.00 56.93 55.18 3hw9 s PHE 153 Cb -0.17 -0.83 -0.01 0.00 -1.21 0.00 0.00 43.02 40.79 3hw9 s PHE 153 CO 0.08 0.27 0.05 0.00 -1.34 0.00 0.00 175.22 174.28 3hw9 s ALA 154 N -2.23 -0.08 0.02 1.99 0.00 0.27 -0.85 121.76 120.88 3hw9 s ALA 154 Ca 0.15 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3hw9 s ALA 154 Cb -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3hw9 s ALA 154 CO 0.05 -0.20 -0.08 0.54 0.00 0.00 0.00 175.76 176.07 3hw9 s VAL 155 N -1.59 0.62 0.02 0.00 0.11 -0.13 -1.56 120.40 117.88 3hw9 s VAL 155 Ca -0.14 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 3hw9 s VAL 155 Cb -0.08 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3hw9 s VAL 155 CO -0.00 -0.06 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.04 3hw9 s GLN 156 N -0.80 0.63 -0.25 1.54 0.74 -0.62 -0.60 119.66 120.29 3hw9 s GLN 156 Ca -0.02 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.85 3hw9 s GLN 156 Cb -0.06 -0.55 0.07 0.00 1.10 0.00 0.00 33.01 33.57 3hw9 s GLN 156 CO 0.00 0.13 -0.05 0.71 -0.55 0.00 0.00 175.29 175.53 3hw9 s TYR 157 N -0.77 2.73 -0.24 1.67 2.02 -0.88 -1.48 117.35 120.41 3hw9 s TYR 157 Ca -0.02 -2.02 -0.19 0.00 -0.37 0.00 0.00 57.07 54.47 3hw9 s TYR 157 Cb -0.07 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3hw9 s TYR 157 CO 0.00 -0.82 0.56 -1.17 -1.57 0.00 0.00 175.55 172.55 3hw9 s LEU 158 N 1.28 4.09 0.54 -1.29 2.96 0.50 -2.32 118.68 124.44 3hw9 s LEU 158 Ca -0.05 0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 54.42 3hw9 s LEU 158 Cb -0.19 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 3hw9 s LEU 158 CO -0.07 -0.28 0.90 -0.83 -1.32 0.00 0.00 176.35 174.76 3hw9 s GLY 159 N 1.39 1.63 0.05 7.98 0.00 -1.04 -1.43 107.32 115.90 3hw9 s GLY 159 Ca 0.24 -0.26 -0.31 0.00 0.00 0.00 0.00 44.72 44.39 3hw9 s GLY 159 CO 0.09 -0.04 1.49 1.25 0.00 0.00 0.00 173.10 175.89 3hw9 s LYS 160 N -4.84 4.25 -0.62 2.90 2.20 -1.25 -4.68 119.74 117.70 3hw9 s LYS 160 Ca 0.52 2.12 0.06 0.00 -0.36 0.00 0.00 55.97 58.31 3hw9 s LYS 160 Cb -0.11 -3.52 0.21 0.00 -1.51 0.00 0.00 37.83 32.90 3hw9 s LYS 160 CO 0.47 -0.61 0.57 0.09 -0.36 0.00 0.00 175.35 175.51 3hw9 n ASN 161 N 5.20 2.65 -4.65 1.43 3.02 0.04 -4.99 115.26 117.96 3hw9 n ASN 161 Ca 0.14 -3.16 -0.43 0.00 -0.03 0.00 0.00 54.58 51.10 3hw9 n ASN 161 Cb 0.42 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3hw9 n ASN 161 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hw9 s GLU 162 N -1.65 4.09 0.18 3.52 2.02 -1.26 -2.81 118.70 122.79 3hw9 s GLU 162 Ca 0.32 1.54 0.00 0.00 0.02 0.00 0.00 54.97 56.85 3hw9 s GLU 162 Cb 0.06 -3.83 -0.00 0.00 0.10 0.00 0.00 34.13 30.45 3hw9 s GLU 162 CO -0.11 -0.90 0.00 0.54 0.02 0.00 0.00 175.26 174.82 3hw9 n ARG 163 N 6.95 1.52 -0.03 1.61 1.74 -1.26 -5.06 116.66 122.13 3hw9 n ARG 163 Ca 0.15 -1.30 -0.08 0.00 -0.77 0.00 0.00 57.85 55.84 3hw9 n ARG 163 Cb 0.45 0.37 0.09 0.00 -1.02 0.00 0.00 32.46 32.35 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 0.44 0.68 -2.93 0.55 3.32 -1.97 -3.45 116.42 113.06 3hw9 h ASP 164 Ca -0.15 -0.29 -0.62 0.00 0.02 0.00 0.00 57.03 56.00 3hw9 h ASP 164 Cb 0.45 -0.19 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 3hw9 h ASP 164 CO 0.24 0.98 -0.70 0.28 -1.72 0.00 0.00 179.24 178.33 3hw9 s THR 165 N -4.34 3.40 -0.14 0.35 -1.32 -1.26 -5.03 115.64 107.30 3hw9 s THR 165 Ca -0.08 -1.57 0.27 0.00 -1.21 0.00 0.00 61.69 59.09 3hw9 s THR 165 Cb 0.12 -2.70 0.33 0.00 -1.51 0.00 0.00 72.50 68.75 3hw9 s THR 165 CO 0.83 -0.12 1.78 0.00 -2.21 0.00 0.00 174.62 174.90 3hw9 h ALA 166 N 2.80 0.98 -0.77 11.08 0.00 -1.87 -3.24 119.26 128.24 3hw9 h ALA 166 Ca -0.47 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hw9 h ALA 166 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3hw9 h ALA 166 CO 0.56 0.07 0.27 -0.09 0.00 0.00 0.00 179.25 180.05 3hw9 h ARG 167 N 0.00 1.18 -0.48 0.00 9.65 -1.95 -3.24 114.38 119.54 3hw9 h ARG 167 Ca -0.00 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 3hw9 h ARG 167 Cb 0.80 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3hw9 h ARG 167 CO 0.01 0.98 0.00 0.54 2.80 0.00 0.00 179.97 184.30 3hw9 n ARG 168 N -4.26 2.63 -3.78 0.20 5.12 -1.23 -4.82 116.66 110.52 3hw9 n ARG 168 Ca 0.07 -2.26 -0.28 0.00 -1.93 0.00 0.00 57.85 53.45 3hw9 n ARG 168 Cb 0.21 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 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 -1.06 6.38 0.13 0.55 0.01 -1.23 -4.81 113.70 113.67 3hw9 s SER 169 Ca 0.34 0.35 -0.17 0.00 1.31 0.00 0.00 55.95 57.78 3hw9 s SER 169 Cb 0.18 -1.99 0.04 0.00 0.21 0.00 0.00 66.02 64.47 3hw9 s SER 169 CO 0.24 0.02 0.44 0.54 0.41 0.00 0.00 173.24 174.89 3hw9 s ASN 170 N -3.02 -0.30 0.00 2.44 4.22 -1.12 -4.91 114.94 112.24 3hw9 s ASN 170 Ca 0.37 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.86 3hw9 s ASN 170 Cb -0.11 0.49 0.00 0.00 1.28 0.00 0.00 41.25 42.91 3hw9 s ASN 170 CO 0.28 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 175.09 3hw9 n GLY 171 N -0.20 2.52 3.72 0.45 0.00 -0.55 -0.78 105.19 110.35 3hw9 n GLY 171 Ca -0.16 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.76 7.46 0.05 1.61 1.01 -1.26 -3.78 116.67 121.00 3hw9 s ASP 172 Ca 0.00 1.75 -0.16 0.00 0.71 0.00 0.00 52.55 54.85 3hw9 s ASP 172 Cb 0.00 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.38 3hw9 s ASP 172 CO 0.00 -0.13 0.36 -0.83 0.21 0.00 0.00 175.17 174.79 3hw9 s GLY 173 N 0.31 -0.20 -0.04 0.21 0.00 -0.51 -1.36 107.32 105.72 3hw9 s GLY 173 Ca 0.48 0.16 0.05 0.00 0.00 0.00 0.00 44.72 45.41 3hw9 s GLY 173 CO 0.29 -0.08 -0.18 0.14 0.00 0.00 0.00 173.10 173.27 3hw9 s VAL 174 N -2.56 1.52 0.26 1.40 1.01 -0.83 -0.37 120.40 120.83 3hw9 s VAL 174 Ca -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3hw9 s VAL 174 Cb -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3hw9 s VAL 174 CO -0.03 0.43 0.02 -0.83 0.00 0.00 0.00 175.10 174.70 3hw9 s GLY 175 N -0.02 1.70 0.05 4.51 0.00 -0.55 -2.00 107.32 111.01 3hw9 s GLY 175 Ca -0.03 -1.85 -0.27 0.00 0.00 0.00 0.00 44.72 42.57 3hw9 s GLY 175 CO 0.02 -1.69 0.67 -0.32 0.00 0.00 0.00 173.10 171.78 3hw9 s GLY 176 N -3.35 -0.58 -0.17 0.20 0.00 0.14 -1.59 107.32 101.97 3hw9 s GLY 176 Ca 0.32 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 3hw9 s GLY 176 CO 0.11 0.54 0.42 -1.35 0.00 0.00 0.00 173.10 172.82 3hw9 s SER 177 N -2.02 -0.50 -0.05 1.64 1.04 -0.60 -1.18 113.70 112.03 3hw9 s SER 177 Ca -0.04 0.88 0.06 0.00 0.48 0.00 0.00 55.95 57.34 3hw9 s SER 177 Cb -0.01 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 3hw9 s SER 177 CO -0.03 -0.18 -0.25 -0.63 0.98 0.00 0.00 173.24 173.14 3hw9 s ILE 178 N 1.03 2.03 0.01 -1.02 1.01 -0.53 -0.56 121.20 123.18 3hw9 s ILE 178 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3hw9 s ILE 178 Cb -0.07 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3hw9 s ILE 178 CO -0.09 0.57 -0.02 -0.94 0.00 0.00 0.00 174.94 174.45 3hw9 s SER 179 N -0.19 0.22 -0.02 3.58 1.04 0.12 -0.73 113.70 117.72 3hw9 s SER 179 Ca -0.03 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3hw9 s SER 179 Cb -0.13 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.06 3hw9 s SER 179 CO 0.03 -0.17 0.00 -0.47 0.98 0.00 0.00 173.24 173.62 3hw9 s TYR 180 N -0.86 0.22 -0.05 5.02 5.04 -0.53 -0.62 117.35 125.57 3hw9 s TYR 180 Ca -0.09 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 3hw9 s TYR 180 Cb -0.06 -0.31 0.01 0.00 0.35 0.00 0.00 41.96 41.96 3hw9 s TYR 180 CO -0.00 -0.09 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.81 3hw9 s GLU 181 N 0.79 1.30 -0.14 4.97 2.02 -1.19 -1.27 118.70 125.20 3hw9 s GLU 181 Ca -0.08 -0.31 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 3hw9 s GLU 181 Cb -0.11 -1.14 0.06 0.00 0.10 0.00 0.00 34.13 33.04 3hw9 s GLU 181 CO -0.02 0.03 0.30 -0.47 0.02 0.00 0.00 175.26 175.12 3hw9 s TYR 182 N 0.59 -0.46 -1.34 1.61 5.04 -0.79 -4.67 117.35 117.33 3hw9 s TYR 182 Ca -0.11 1.02 -0.06 0.00 -2.44 0.00 0.00 57.07 55.49 3hw9 s TYR 182 Cb -0.14 0.08 -0.00 0.00 0.35 0.00 0.00 41.96 42.26 3hw9 s TYR 182 CO 0.02 -0.33 0.51 -1.91 -1.34 0.00 0.00 175.55 172.51 3hw9 n GLU 183 N 4.78 -2.81 0.00 4.97 4.07 -1.26 -1.67 120.64 128.73 3hw9 n GLU 183 Ca -0.16 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 3hw9 n GLU 183 Cb 0.52 -4.39 0.00 0.00 -0.06 0.00 0.00 31.44 27.50 3hw9 n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw9 n GLY 184 N -1.91 2.43 3.79 8.31 0.00 -1.26 -4.96 105.19 111.58 3hw9 n GLY 184 Ca -0.26 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.99 2.81 -0.25 1.61 0.08 -0.67 -0.82 117.98 119.75 3hw9 s PHE 185 Ca 0.00 1.52 -0.21 0.00 0.12 0.00 0.00 56.93 58.36 3hw9 s PHE 185 Cb 0.00 -3.04 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 3hw9 s PHE 185 CO 0.00 -1.45 0.66 0.20 -0.10 0.00 0.00 175.22 174.52 3hw9 s GLY 186 N -3.03 -0.52 -0.04 4.36 0.00 -0.84 -1.89 107.32 105.36 3hw9 s GLY 186 Ca 0.63 1.98 0.03 0.00 0.00 0.00 0.00 44.72 47.36 3hw9 s GLY 186 CO 0.45 1.80 -0.11 -1.50 0.00 0.00 0.00 173.10 173.75 3hw9 s ILE 187 N 0.69 0.93 0.03 0.90 2.07 -0.39 -2.10 121.20 123.33 3hw9 s ILE 187 Ca -0.03 -0.42 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 3hw9 s ILE 187 Cb -0.05 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 3hw9 s ILE 187 CO -0.04 0.29 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.44 3hw9 s VAL 188 N 0.30 1.11 -0.19 4.00 1.01 -0.86 -1.46 120.40 124.31 3hw9 s VAL 188 Ca -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3hw9 s VAL 188 Cb -0.11 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.34 3hw9 s VAL 188 CO 0.01 0.04 0.05 -0.83 0.00 0.00 0.00 175.10 174.37 3hw9 s GLY 189 N -1.04 0.65 0.12 4.51 0.00 0.09 -1.66 107.32 109.99 3hw9 s GLY 189 Ca 0.02 -0.66 0.11 0.00 0.00 0.00 0.00 44.72 44.19 3hw9 s GLY 189 CO 0.01 1.48 -0.26 0.00 0.00 0.00 0.00 173.10 174.33 3hw9 s ALA 190 N 1.90 2.38 -0.18 3.20 0.00 -0.58 -1.45 121.76 127.04 3hw9 s ALA 190 Ca -0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 3hw9 s ALA 190 Cb -0.17 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.59 3hw9 s ALA 190 CO -0.09 0.54 0.58 -0.47 0.00 0.00 0.00 175.76 176.32 3hw9 s TYR 191 N -1.03 -0.61 -0.17 0.00 5.04 -0.33 -2.02 117.35 118.24 3hw9 s TYR 191 Ca 0.14 1.40 -0.14 0.00 -2.44 0.00 0.00 57.07 56.03 3hw9 s TYR 191 Cb -0.10 0.24 0.05 0.00 0.35 0.00 0.00 41.96 42.49 3hw9 s TYR 191 CO 0.06 -0.36 0.43 0.20 -1.34 0.00 0.00 175.55 174.54 3hw9 s GLY 192 N -0.04 -0.33 -0.04 8.97 0.00 0.51 -0.69 107.32 115.71 3hw9 s GLY 192 Ca -0.03 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.02 3hw9 s GLY 192 CO 0.02 1.21 -0.09 0.00 0.00 0.00 0.00 173.10 174.24 3hw9 s ALA 193 N 0.50 0.92 0.09 3.20 0.00 -0.85 -0.69 121.76 124.92 3hw9 s ALA 193 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3hw9 s ALA 193 Cb -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3hw9 s ALA 193 CO -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 175.76 175.85 3hw9 s ALA 194 N 0.39 0.69 0.45 0.00 0.00 0.44 -1.96 121.76 121.78 3hw9 s ALA 194 Ca -0.07 -1.33 -0.20 0.00 0.00 0.00 0.00 51.96 50.36 3hw9 s ALA 194 Cb -0.11 0.49 -0.10 0.00 0.00 0.00 0.00 23.12 23.40 3hw9 s ALA 194 CO 0.01 -0.40 0.98 -0.51 0.00 0.00 0.00 175.76 175.84 3hw9 s ASP 195 N -2.98 6.73 -0.15 0.00 1.11 -0.47 -0.51 116.67 120.42 3hw9 s ASP 195 Ca 0.14 1.75 -0.03 0.00 0.18 0.00 0.00 52.55 54.59 3hw9 s ASP 195 Cb 0.08 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.49 3hw9 s ASP 195 CO -0.05 -0.50 -0.03 -0.13 1.18 0.00 0.00 175.17 175.63 3hw9 s ARG 196 N -3.27 3.59 0.81 8.23 0.52 -1.21 -1.49 118.95 126.14 3hw9 s ARG 196 Ca 0.63 -0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 55.23 3hw9 s ARG 196 Cb -0.11 -2.90 0.08 0.00 0.52 0.00 0.00 34.95 32.54 3hw9 s ARG 196 CO 0.16 0.30 1.09 0.95 0.02 0.00 0.00 175.30 177.82 3hw9 s THR 197 N 0.20 3.14 0.45 0.02 -4.23 -1.26 -4.84 115.64 109.12 3hw9 s THR 197 Ca -0.02 0.37 0.27 0.00 -1.18 0.00 0.00 61.69 61.13 3hw9 s THR 197 Cb -0.14 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.01 3hw9 s THR 197 CO 0.03 -0.48 2.09 0.78 -0.54 0.00 0.00 174.62 176.50 3hw9 h ASN 198 N -1.18 0.00 0.26 3.99 2.35 -1.99 -0.52 115.58 118.48 3hw9 h ASN 198 Ca -0.47 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.13 3hw9 h ASN 198 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3hw9 h ASN 198 CO 0.56 0.11 -0.61 0.25 -1.65 0.00 0.00 177.43 176.08 3hw9 h LEU 199 N 0.00 0.39 -0.23 1.61 5.85 -1.96 -1.89 115.31 119.08 3hw9 h LEU 199 Ca -0.00 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.31 3hw9 h LEU 199 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3hw9 h LEU 199 CO 0.01 0.91 -0.87 1.56 -0.34 0.00 0.00 178.44 179.71 3hw9 h GLN 200 N 0.25 0.00 -0.01 1.25 4.20 -1.65 -3.28 115.11 115.88 3hw9 h GLN 200 Ca -0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3hw9 h GLN 200 Cb 1.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3hw9 h GLN 200 CO 0.10 0.87 -0.72 0.93 -0.67 0.00 0.00 178.83 179.35 3hw9 h GLU 201 N 0.00 0.06 -1.26 1.46 4.39 -1.05 -3.27 114.58 114.92 3hw9 h GLU 201 Ca -0.01 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 3hw9 h GLU 201 Cb 1.56 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.15 3hw9 h GLU 201 CO 0.11 0.75 0.18 0.00 -1.16 0.00 0.00 179.01 178.89 3hw9 n ALA 202 N -2.42 3.69 -2.57 3.43 0.00 -0.72 -4.82 120.51 117.10 3hw9 n ALA 202 Ca -0.01 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.36 3hw9 n ALA 202 Cb 0.70 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 3hw9 n ALA 202 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hw9 s GLN 203 N -0.84 2.52 0.29 0.00 -1.52 -1.23 -5.04 119.66 113.84 3hw9 s GLN 203 Ca 0.14 -0.81 -0.00 0.00 -1.95 0.00 0.00 55.36 52.75 3hw9 s GLN 203 Cb 0.12 -2.27 0.50 0.00 -0.22 0.00 0.00 33.01 31.14 3hw9 s GLN 203 CO 0.02 0.50 1.91 -1.35 -0.25 0.00 0.00 175.29 176.12 3hw9 h PRO 204 N 5.71 1.04 -5.28 2.91 0.11 -1.88 -3.38 132.00 131.22 3hw9 h PRO 204 Ca -0.40 -0.06 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 3hw9 h PRO 204 Cb 1.16 -0.23 -0.16 0.00 0.11 0.00 0.00 31.00 31.87 3hw9 h PRO 204 CO 0.49 0.69 0.09 -0.51 -0.21 0.00 0.00 178.00 178.55 3hw9 s LEU 205 N -10.03 4.61 0.00 2.35 1.43 -1.26 -4.86 118.68 110.92 3hw9 s LEU 205 Ca -0.12 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3hw9 s LEU 205 Cb 0.20 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3hw9 s LEU 205 CO 0.80 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3hw9 n GLY 206 N 5.07 2.86 3.09 -3.19 0.00 -1.11 -0.71 105.19 111.20 3hw9 n GLY 206 Ca -0.03 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 3hw9 n GLY 206 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hw9 s ASN 207 N 0.00 2.17 0.00 1.61 -0.87 -1.26 -4.82 114.94 111.76 3hw9 s ASN 207 Ca 0.00 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 3hw9 s ASN 207 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 3hw9 s ASN 207 CO 0.00 0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.22 3hw9 n GLY 208 N 3.65 4.69 1.13 0.66 0.00 -1.26 -4.90 105.19 109.17 3hw9 n GLY 208 Ca -0.21 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.98 2.49 -3.97 1.61 5.02 -1.26 -4.90 118.16 115.16 3hw9 n LYS 209 Ca 0.00 -2.24 -0.17 0.00 -2.02 0.00 0.00 58.31 53.88 3hw9 n LYS 209 Cb 0.00 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 33.34 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 -1.54 0.38 -0.24 1.97 2.20 -1.26 -3.29 119.74 117.95 3hw9 s LYS 210 Ca 0.38 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.95 3hw9 s LYS 210 Cb 0.23 -0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 35.99 3hw9 s LYS 210 CO 0.32 -0.12 0.09 0.00 -0.36 0.00 0.00 175.35 175.28 3hw9 s ALA 211 N 0.94 3.26 -0.02 3.13 0.00 0.34 -4.63 121.76 124.77 3hw9 s ALA 211 Ca -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.87 3hw9 s ALA 211 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 3hw9 s ALA 211 CO -0.01 -0.38 -0.22 -1.21 0.00 0.00 0.00 175.76 173.93 3hw9 s GLU 212 N 1.42 1.84 -0.03 0.00 2.02 -0.59 -0.42 118.70 122.95 3hw9 s GLU 212 Ca 0.06 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 3hw9 s GLU 212 Cb -0.15 -1.76 0.03 0.00 0.10 0.00 0.00 34.13 32.35 3hw9 s GLU 212 CO 0.04 0.46 0.05 -0.65 0.02 0.00 0.00 175.26 175.19 3hw9 s GLN 213 N -0.48 -0.02 -0.04 1.61 -0.21 0.13 -0.13 119.66 120.53 3hw9 s GLN 213 Ca 0.07 0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.62 3hw9 s GLN 213 Cb -0.09 -0.25 0.01 0.00 1.00 0.00 0.00 33.01 33.68 3hw9 s GLN 213 CO -0.00 -0.17 0.15 1.67 -2.12 0.00 0.00 175.29 174.81 3hw9 s TRP 214 N 1.13 -0.09 -0.11 0.91 1.48 -1.04 -0.36 118.94 120.87 3hw9 s TRP 214 Ca -0.09 0.21 -0.15 0.00 -1.06 0.00 0.00 56.10 55.01 3hw9 s TRP 214 Cb -0.13 0.02 0.04 0.00 -1.16 0.00 0.00 33.47 32.23 3hw9 s TRP 214 CO -0.04 -0.16 0.38 0.00 -4.06 0.00 0.00 176.95 173.08 3hw9 s ALA 215 N -0.47 -0.95 0.06 2.67 0.00 -0.86 -1.80 121.76 120.41 3hw9 s ALA 215 Ca -0.06 0.90 0.09 0.00 0.00 0.00 0.00 51.96 52.89 3hw9 s ALA 215 Cb -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3hw9 s ALA 215 CO 0.01 -0.21 -0.25 0.95 0.00 0.00 0.00 175.76 176.25 3hw9 s THR 216 N -0.28 2.29 0.07 0.00 -4.23 -0.40 -1.52 115.64 111.57 3hw9 s THR 216 Ca -0.04 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3hw9 s THR 216 Cb -0.03 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 3hw9 s THR 216 CO 0.02 0.32 -0.18 -0.83 -0.54 0.00 0.00 174.62 173.41 3hw9 s GLY 217 N -1.41 1.03 -0.10 3.99 0.00 -0.66 -2.36 107.32 107.80 3hw9 s GLY 217 Ca 0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 3hw9 s GLY 217 CO 0.03 -1.04 0.20 -2.27 0.00 0.00 0.00 173.10 170.03 3hw9 s LEU 218 N -1.55 -0.16 0.08 0.66 2.96 -0.62 -2.03 118.68 118.02 3hw9 s LEU 218 Ca 0.04 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3hw9 s LEU 218 Cb -0.09 0.46 -0.04 0.00 0.50 0.00 0.00 46.19 47.02 3hw9 s LEU 218 CO 0.03 -0.24 -0.03 -1.59 -1.32 0.00 0.00 176.35 173.19 3hw9 s LYS 219 N 2.33 0.75 -0.21 1.98 -2.85 -0.89 -0.95 119.74 119.90 3hw9 s LYS 219 Ca 0.02 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 3hw9 s LYS 219 Cb -0.12 0.04 0.05 0.00 -2.06 0.00 0.00 37.83 35.74 3hw9 s LYS 219 CO -0.07 -0.09 -0.06 -0.47 0.10 0.00 0.00 175.35 174.75 3hw9 s TYR 220 N -3.82 2.17 -0.64 1.78 5.04 0.13 -1.98 117.35 120.03 3hw9 s TYR 220 Ca 0.11 -1.51 0.06 0.00 -2.44 0.00 0.00 57.07 53.29 3hw9 s TYR 220 Cb 0.07 -1.51 0.21 0.00 0.35 0.00 0.00 41.96 41.08 3hw9 s TYR 220 CO -0.06 -0.72 0.60 -3.47 -1.34 0.00 0.00 175.55 170.56 3hw9 n ASP 221 N 4.74 2.99 -3.66 4.32 2.03 -0.00 -2.45 116.55 124.52 3hw9 n ASP 221 Ca -0.13 -3.24 -0.15 0.00 0.52 0.00 0.00 54.79 51.79 3hw9 n ASP 221 Cb 0.46 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.08 3hw9 n ASP 221 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hw9 s ALA 222 N -1.82 -1.25 -1.28 -1.67 0.00 -1.17 -4.63 121.76 109.94 3hw9 s ALA 222 Ca 0.33 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 3hw9 s ALA 222 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3hw9 s ALA 222 CO -0.10 -0.29 0.88 0.09 0.00 0.00 0.00 175.76 176.34 3hw9 n ASN 223 N 1.52 -2.13 0.00 0.00 4.13 -1.26 -2.56 115.26 114.95 3hw9 n ASN 223 Ca -0.19 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.36 3hw9 n ASN 223 Cb 0.56 -4.56 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 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 -3.07 -2.54 -4.53 6.41 3.02 -1.26 -4.96 115.26 108.33 3hw9 n ASN 224 Ca -0.25 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.96 3hw9 n ASN 224 Cb 0.66 -2.28 -0.11 0.00 -0.61 0.00 0.00 39.78 37.43 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 -1.52 4.19 -0.31 2.41 1.01 -1.06 -0.53 121.20 125.38 3hw9 s ILE 225 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3hw9 s ILE 225 Cb 0.00 -2.86 0.09 0.00 0.01 0.00 0.00 42.46 39.70 3hw9 s ILE 225 CO 0.00 0.47 0.05 -0.47 0.00 0.00 0.00 174.94 174.99 3hw9 s TYR 226 N 0.48 2.73 -0.13 3.97 5.04 -0.63 -3.02 117.35 125.79 3hw9 s TYR 226 Ca -0.01 -2.29 -0.02 0.00 -2.44 0.00 0.00 57.07 52.32 3hw9 s TYR 226 Cb -0.14 -2.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.94 3hw9 s TYR 226 CO 0.02 -0.89 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.75 3hw9 s LEU 227 N 1.27 2.98 0.03 6.97 1.43 -1.03 -0.72 118.68 129.62 3hw9 s LEU 227 Ca 0.07 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3hw9 s LEU 227 Cb -0.18 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3hw9 s LEU 227 CO -0.14 0.19 -0.05 0.00 0.23 0.00 0.00 176.35 176.58 3hw9 s ALA 228 N 0.25 0.30 -0.11 4.21 0.00 0.34 -0.70 121.76 126.05 3hw9 s ALA 228 Ca -0.06 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3hw9 s ALA 228 Cb -0.15 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.13 3hw9 s ALA 228 CO 0.04 -0.11 0.27 0.00 0.00 0.00 0.00 175.76 175.96 3hw9 s ALA 229 N -1.46 -0.62 -0.05 0.00 0.00 -0.13 -1.25 121.76 118.26 3hw9 s ALA 229 Ca -0.13 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.91 3hw9 s ALA 229 Cb -0.10 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3hw9 s ALA 229 CO -0.01 -0.22 -0.10 -0.80 0.00 0.00 0.00 175.76 174.63 3hw9 s ASN 230 N 1.33 1.45 -0.04 0.00 0.02 -0.02 -1.59 114.94 116.08 3hw9 s ASN 230 Ca -0.09 -0.23 0.03 0.00 -1.02 0.00 0.00 52.86 51.54 3hw9 s ASN 230 Cb -0.10 -0.64 0.01 0.00 0.02 0.00 0.00 41.25 40.54 3hw9 s ASN 230 CO -0.09 0.02 -0.11 -0.47 0.02 0.00 0.00 177.10 176.47 3hw9 s TYR 231 N 0.65 1.19 0.09 2.20 5.04 -1.00 -0.07 117.35 125.46 3hw9 s TYR 231 Ca -0.12 -0.36 -0.19 0.00 -2.44 0.00 0.00 57.07 53.96 3hw9 s TYR 231 Cb -0.14 -0.87 0.04 0.00 0.35 0.00 0.00 41.96 41.34 3hw9 s TYR 231 CO 0.02 -0.17 0.46 0.20 -1.34 0.00 0.00 175.55 174.72 3hw9 s GLY 232 N 0.40 -0.36 -0.01 8.97 0.00 -0.85 -1.27 107.32 114.19 3hw9 s GLY 232 Ca -0.08 0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.93 3hw9 s GLY 232 CO 0.02 -0.02 -0.10 -0.54 0.00 0.00 0.00 173.10 172.46 3hw9 s GLU 233 N -3.18 0.85 0.21 2.90 2.02 -0.74 -0.89 118.70 119.88 3hw9 s GLU 233 Ca -0.01 -0.34 0.11 0.00 0.02 0.00 0.00 54.97 54.75 3hw9 s GLU 233 Cb 0.00 -0.82 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 3hw9 s GLU 233 CO -0.08 0.19 -0.21 0.95 0.02 0.00 0.00 175.26 176.13 3hw9 s THR 234 N -0.11 2.49 -0.16 3.63 -4.23 -1.20 -2.49 115.64 113.57 3hw9 s THR 234 Ca 0.02 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3hw9 s THR 234 Cb -0.05 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.60 3hw9 s THR 234 CO -0.00 -0.19 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.73 3hw9 s ARG 235 N -2.90 1.24 -1.25 3.99 1.81 0.82 -2.41 118.95 120.26 3hw9 s ARG 235 Ca 0.23 -0.42 -0.04 0.00 -1.72 0.00 0.00 55.73 53.79 3hw9 s ARG 235 Cb -0.07 -1.88 0.02 0.00 -0.45 0.00 0.00 34.95 32.58 3hw9 s ARG 235 CO 0.12 -0.43 0.26 0.09 -0.68 0.00 0.00 175.30 174.65 3hw9 n ASN 236 N 4.93 -4.30 0.00 0.23 3.02 -0.73 -1.54 115.26 116.88 3hw9 n ASN 236 Ca -0.11 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3hw9 n ASN 236 Cb 0.48 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.85 1.81 -2.62 5.41 0.00 -1.24 -4.72 120.51 116.31 3hw9 n ALA 237 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 3hw9 n ALA 237 Cb 0.59 0.24 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.73 4.57 0.21 0.00 2.01 -1.26 -4.90 115.64 114.54 3hw9 s THR 238 Ca 0.00 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 3hw9 s THR 238 Cb 0.00 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 3hw9 s THR 238 CO 0.00 -0.27 1.36 -2.16 -0.69 0.00 0.00 174.62 172.85 3hw9 s PRO 239 N 3.39 4.35 0.10 4.92 0.04 -1.26 -0.41 135.00 146.12 3hw9 s PRO 239 Ca 0.46 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.68 3hw9 s PRO 239 Cb -0.15 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3hw9 s PRO 239 CO 0.10 -0.32 -0.13 0.96 0.04 0.00 0.00 177.00 177.65 3hw9 s ILE 240 N 0.15 1.17 -0.16 0.56 -4.36 -1.06 -4.86 121.20 112.63 3hw9 s ILE 240 Ca 0.58 -1.59 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 3hw9 s ILE 240 Cb -0.38 -1.36 0.05 0.00 1.25 0.00 0.00 42.46 42.02 3hw9 s ILE 240 CO 0.39 -0.40 0.04 -0.89 0.24 0.00 0.00 174.94 174.32 3hw9 s THR 241 N -1.99 0.36 -0.82 8.37 2.01 -1.26 -2.23 115.64 120.09 3hw9 s THR 241 Ca 0.05 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 3hw9 s THR 241 Cb -0.06 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.64 3hw9 s THR 241 CO 0.02 -0.13 1.50 0.21 -0.69 0.00 0.00 174.62 175.52 3hw9 s ASN 242 N 1.94 6.00 0.36 3.53 3.84 0.21 -4.76 114.94 126.07 3hw9 s ASN 242 Ca 0.01 -0.64 0.27 0.00 0.21 0.00 0.00 52.86 52.71 3hw9 s ASN 242 Cb -0.16 -2.56 1.03 0.00 -0.55 0.00 0.00 41.25 39.01 3hw9 s ASN 242 CO -0.08 -1.93 1.80 0.50 -2.79 0.00 0.00 177.10 174.61 3hw9 h LYS 243 N 10.90 0.00 0.01 0.43 3.64 -1.42 -1.20 116.57 128.93 3hw9 h LYS 243 Ca -0.09 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3hw9 h LYS 243 Cb 1.05 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3hw9 h LYS 243 CO 1.31 0.00 -0.35 0.74 -2.27 0.00 0.00 179.45 178.88 3hw9 h PHE 244 N 0.00 0.33 -0.10 1.91 0.04 -1.87 -3.36 116.94 113.90 3hw9 h PHE 244 Ca 0.00 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3hw9 h PHE 244 Cb 0.52 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3hw9 h PHE 244 CO 0.00 1.01 0.00 0.25 -0.60 0.00 0.00 178.31 178.97 3hw9 n THR 245 N -4.42 0.11 -3.36 -1.55 -2.24 -1.19 -5.00 114.28 96.63 3hw9 n THR 245 Ca -0.10 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 60.95 3hw9 n THR 245 Cb 0.56 1.34 0.04 0.00 -2.10 0.00 0.00 70.33 70.18 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 1.26 -6.46 -3.95 3.42 5.03 -0.52 -5.04 115.26 108.99 3hw9 n ASN 246 Ca 0.14 -0.66 -0.20 0.00 0.87 0.00 0.00 54.58 54.72 3hw9 n ASN 246 Cb 0.55 -4.53 -0.16 0.00 -1.02 0.00 0.00 39.78 34.62 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 -3.30 0.68 0.07 3.41 2.01 -0.81 -5.01 115.64 112.69 3hw9 s THR 247 Ca 0.33 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.10 3hw9 s THR 247 Cb -0.07 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 3hw9 s THR 247 CO 0.78 0.24 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.93 3hw9 s SER 248 N 0.52 1.05 0.00 3.53 1.04 -1.26 0.65 113.70 119.22 3hw9 s SER 248 Ca -0.08 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3hw9 s SER 248 Cb -0.11 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3hw9 s SER 248 CO 0.01 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.53 3hw9 n GLY 249 N 0.79 -0.33 2.98 7.32 0.00 -0.95 -4.43 105.19 110.58 3hw9 n GLY 249 Ca -0.18 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.27 0.06 1.61 0.40 0.11 -2.58 117.98 117.85 3hw9 s PHE 250 Ca 0.00 -0.51 -0.27 0.00 -0.60 0.00 0.00 56.93 55.55 3hw9 s PHE 250 Cb 0.00 -0.19 -0.05 0.00 0.51 0.00 0.00 43.02 43.28 3hw9 s PHE 250 CO 0.00 -0.18 0.83 0.00 0.70 0.00 0.00 175.22 176.57 3hw9 s ALA 251 N -1.40 3.32 0.28 5.36 0.00 0.45 -2.75 121.76 127.02 3hw9 s ALA 251 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3hw9 s ALA 251 Cb -0.10 -3.10 0.42 0.00 0.00 0.00 0.00 23.12 20.34 3hw9 s ALA 251 CO -0.01 0.02 1.80 -0.91 0.00 0.00 0.00 175.76 176.65 3hw9 h ASN 252 N 5.74 0.67 -3.28 0.00 2.35 -1.84 -1.94 115.58 117.29 3hw9 h ASN 252 Ca -0.43 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.07 3hw9 h ASN 252 Cb 1.21 -0.18 -0.25 0.00 0.05 0.00 0.00 38.32 39.15 3hw9 h ASN 252 CO 0.72 0.74 -0.24 -0.75 -1.65 0.00 0.00 177.43 176.25 3hw9 s LYS 253 N -4.98 0.45 0.13 0.81 2.47 -1.18 -3.01 119.74 114.44 3hw9 s LYS 253 Ca -0.09 0.83 0.06 0.00 -1.56 0.00 0.00 55.97 55.22 3hw9 s LYS 253 Cb 0.15 0.03 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 3hw9 s LYS 253 CO 0.80 -0.15 -0.14 0.95 0.16 0.00 0.00 175.35 176.97 3hw9 s THR 254 N 1.29 1.41 -0.10 3.43 -4.23 -1.01 0.15 115.64 116.57 3hw9 s THR 254 Ca -0.08 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3hw9 s THR 254 Cb -0.07 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.16 3hw9 s THR 254 CO -0.12 -0.44 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.35 3hw9 s GLN 255 N -2.84 1.43 -0.18 3.99 -0.21 -0.44 -3.25 119.66 118.17 3hw9 s GLN 255 Ca 0.11 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.27 3hw9 s GLN 255 Cb -0.04 -1.49 0.02 0.00 1.00 0.00 0.00 33.01 32.49 3hw9 s GLN 255 CO 0.04 -0.24 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.27 3hw9 s ASP 256 N 1.63 3.26 -0.21 5.90 1.01 -0.07 -2.20 116.67 125.99 3hw9 s ASP 256 Ca 0.03 -0.62 -0.02 0.00 0.71 0.00 0.00 52.55 52.66 3hw9 s ASP 256 Cb -0.13 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.30 3hw9 s ASP 256 CO -0.07 0.00 -0.10 -0.69 0.21 0.00 0.00 175.17 174.52 3hw9 s VAL 257 N 1.28 2.79 -0.08 -1.27 1.01 0.18 -2.01 120.40 122.30 3hw9 s VAL 257 Ca 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3hw9 s VAL 257 Cb -0.13 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3hw9 s VAL 257 CO -0.11 0.42 -0.24 -0.76 0.00 0.00 0.00 175.10 174.41 3hw9 s LEU 258 N 1.38 2.11 -0.02 3.92 2.01 0.89 -0.74 118.68 128.23 3hw9 s LEU 258 Ca 0.04 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.66 3hw9 s LEU 258 Cb -0.14 -1.40 0.02 0.00 0.01 0.00 0.00 46.19 44.67 3hw9 s LEU 258 CO -0.07 0.20 -0.00 -0.76 1.01 0.00 0.00 176.35 176.73 3hw9 s LEU 259 N 0.11 1.35 -0.03 1.79 1.43 0.11 -0.84 118.68 122.60 3hw9 s LEU 259 Ca -0.12 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3hw9 s LEU 259 Cb -0.16 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3hw9 s LEU 259 CO 0.06 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.85 3hw9 s VAL 260 N 0.78 0.37 -0.13 -1.59 1.01 -0.38 -0.69 120.40 119.77 3hw9 s VAL 260 Ca -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hw9 s VAL 260 Cb -0.11 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.92 3hw9 s VAL 260 CO -0.01 0.16 0.02 0.00 0.00 0.00 0.00 175.10 175.26 3hw9 s ALA 261 N 0.61 0.84 0.09 5.51 0.00 0.89 -0.50 121.76 129.19 3hw9 s ALA 261 Ca -0.07 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.54 3hw9 s ALA 261 Cb -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3hw9 s ALA 261 CO -0.01 -0.78 -0.09 -0.65 0.00 0.00 0.00 175.76 174.23 3hw9 s GLN 262 N 1.92 0.80 0.02 0.00 -0.21 0.11 -0.61 119.66 121.68 3hw9 s GLN 262 Ca 0.02 -1.12 0.01 0.00 0.02 0.00 0.00 55.36 54.30 3hw9 s GLN 262 Cb -0.14 -0.47 -0.01 0.00 1.00 0.00 0.00 33.01 33.39 3hw9 s GLN 262 CO -0.07 0.07 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.65 3hw9 s TYR 263 N -2.40 0.46 -0.10 0.91 5.04 -1.16 -1.60 117.35 118.50 3hw9 s TYR 263 Ca 0.04 -0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.41 3hw9 s TYR 263 Cb -0.03 -0.29 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 3hw9 s TYR 263 CO -0.00 -0.06 -0.18 -1.14 -1.34 0.00 0.00 175.55 172.83 3hw9 s GLN 264 N -0.80 3.09 0.40 4.97 2.00 0.31 -3.50 119.66 126.12 3hw9 s GLN 264 Ca -0.05 -0.77 0.07 0.00 -2.00 0.00 0.00 55.36 52.62 3hw9 s GLN 264 Cb -0.06 -2.45 0.00 0.00 0.80 0.00 0.00 33.01 31.30 3hw9 s GLN 264 CO -0.00 0.27 0.54 -0.06 -0.50 0.00 0.00 175.29 175.55 3hw9 s PHE 265 N 0.16 2.91 -1.68 1.67 0.08 -0.92 -4.83 117.98 115.37 3hw9 s PHE 265 Ca -0.10 -0.32 0.29 0.00 0.12 0.00 0.00 56.93 56.92 3hw9 s PHE 265 Cb -0.16 -2.27 1.61 0.00 -0.57 0.00 0.00 43.02 41.63 3hw9 s PHE 265 CO 0.06 -0.30 2.06 -0.25 -0.10 0.00 0.00 175.22 176.68 3hw9 n ASP 266 N -1.80 0.00 -0.76 1.36 8.00 -1.26 -3.34 116.55 118.75 3hw9 n ASP 266 Ca 0.05 -0.49 0.08 0.00 0.71 0.00 0.00 54.79 55.15 3hw9 n ASP 266 Cb 0.59 -0.16 0.23 0.00 -0.02 0.00 0.00 41.12 41.76 3hw9 n ASP 266 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3hw9 n PHE 267 N -1.16 0.77 0.00 1.24 -1.74 -1.26 -4.99 117.46 110.32 3hw9 n PHE 267 Ca 0.18 -0.84 0.00 0.00 -0.56 0.00 0.00 57.45 56.23 3hw9 n PHE 267 Cb 0.17 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 40.91 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 -0.48 3.08 3.72 4.97 0.00 -1.21 -4.81 105.19 110.46 3hw9 n GLY 268 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.41 -0.42 0.99 2.96 -1.26 -1.42 118.68 123.94 3hw9 s LEU 269 Ca 0.00 2.13 0.02 0.00 -0.22 0.00 0.00 54.13 56.05 3hw9 s LEU 269 Cb 0.00 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.24 3hw9 s LEU 269 CO 0.00 -0.43 0.24 -0.60 -1.32 0.00 0.00 176.35 174.24 3hw9 s ARG 270 N 0.49 1.12 0.48 1.98 3.52 0.19 -2.17 118.95 124.56 3hw9 s ARG 270 Ca 0.56 -1.88 -0.23 0.00 -0.13 0.00 0.00 55.73 54.06 3hw9 s ARG 270 Cb -0.31 -2.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.95 3hw9 s ARG 270 CO 0.32 -1.19 1.20 -1.25 -0.81 0.00 0.00 175.30 173.57 3hw9 s PRO 271 N 0.47 3.63 -0.05 5.12 0.04 -1.23 -0.53 135.00 142.45 3hw9 s PRO 271 Ca 0.19 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.08 3hw9 s PRO 271 Cb -0.22 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 31.98 3hw9 s PRO 271 CO -0.01 -0.68 -0.03 0.45 0.04 0.00 0.00 177.00 176.78 3hw9 s SER 272 N -1.30 1.03 -0.14 6.66 0.15 0.16 -2.99 113.70 117.26 3hw9 s SER 272 Ca 0.65 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 57.21 3hw9 s SER 272 Cb -0.30 -0.41 0.02 0.00 -1.71 0.00 0.00 66.02 63.61 3hw9 s SER 272 CO 0.37 -0.10 -0.15 -0.63 1.20 0.00 0.00 173.24 173.93 3hw9 s ILE 273 N 1.20 1.62 0.11 6.45 -1.09 0.22 -0.70 121.20 129.01 3hw9 s ILE 273 Ca -0.07 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 3hw9 s ILE 273 Cb -0.14 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 3hw9 s ILE 273 CO -0.02 0.47 -0.01 0.00 -1.23 0.00 0.00 174.94 174.15 3hw9 s ALA 274 N 1.38 0.93 -0.05 9.38 0.00 -0.37 -0.08 121.76 132.95 3hw9 s ALA 274 Ca 0.03 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 3hw9 s ALA 274 Cb -0.13 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3hw9 s ALA 274 CO -0.09 -0.36 0.12 -0.47 0.00 0.00 0.00 175.76 174.96 3hw9 s TYR 275 N -3.81 -0.12 -0.07 0.00 5.04 0.13 0.18 117.35 118.69 3hw9 s TYR 275 Ca 0.17 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 3hw9 s TYR 275 Cb 0.07 -0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.34 3hw9 s TYR 275 CO -0.02 -0.12 -0.05 0.99 -1.34 0.00 0.00 175.55 175.01 3hw9 s THR 276 N 0.76 0.70 -0.11 4.34 2.01 -0.70 -0.71 115.64 121.92 3hw9 s THR 276 Ca -0.06 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 3hw9 s THR 276 Cb -0.08 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.72 3hw9 s THR 276 CO -0.03 0.29 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.37 3hw9 s LYS 277 N 1.40 1.42 -0.18 4.92 2.20 0.08 -1.66 119.74 127.92 3hw9 s LYS 277 Ca -0.03 -0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 3hw9 s LYS 277 Cb -0.13 -1.57 0.06 0.00 -1.51 0.00 0.00 37.83 34.68 3hw9 s LYS 277 CO -0.03 -0.29 0.04 0.45 -0.36 0.00 0.00 175.35 175.16 3hw9 s SER 278 N 1.73 2.68 0.25 1.43 0.15 0.27 0.47 113.70 120.68 3hw9 s SER 278 Ca 0.05 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 56.09 3hw9 s SER 278 Cb -0.13 -0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 3hw9 s SER 278 CO -0.08 -0.31 -0.20 -1.59 1.20 0.00 0.00 173.24 172.27 3hw9 s LYS 279 N 1.93 1.58 -0.06 5.44 -2.85 -0.94 0.15 119.74 124.99 3hw9 s LYS 279 Ca 0.00 -1.68 0.05 0.00 -1.00 0.00 0.00 55.97 53.34 3hw9 s LYS 279 Cb -0.16 -1.67 -0.00 0.00 -2.06 0.00 0.00 37.83 33.93 3hw9 s LYS 279 CO -0.08 0.32 -0.20 0.00 0.10 0.00 0.00 175.35 175.50 3hw9 s ALA 280 N -2.37 1.76 0.29 0.59 0.00 0.14 -1.32 121.76 120.84 3hw9 s ALA 280 Ca 0.26 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3hw9 s ALA 280 Cb -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3hw9 s ALA 280 CO 0.12 0.30 0.34 0.15 0.00 0.00 0.00 175.76 176.67 3hw9 s LYS 281 N 0.08 3.07 -1.83 0.00 3.01 0.39 -1.33 119.74 123.14 3hw9 s LYS 281 Ca -0.07 -1.02 0.00 0.00 -1.01 0.00 0.00 55.97 53.87 3hw9 s LYS 281 Cb -0.13 -2.70 0.00 0.00 -1.01 0.00 0.00 37.83 33.99 3hw9 s LYS 281 CO 0.04 0.25 0.00 -0.25 0.51 0.00 0.00 175.35 175.89 3hw9 n ASP 282 N -1.41 -4.73 -4.61 2.83 8.00 -0.41 -3.07 116.55 113.15 3hw9 n ASP 282 Ca -0.05 0.39 -0.43 0.00 0.71 0.00 0.00 54.79 55.41 3hw9 n ASP 282 Cb 0.58 -4.21 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 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 -2.55 3.47 -0.03 2.53 1.01 -0.64 -4.68 120.40 119.51 3hw9 s VAL 283 Ca 0.00 0.50 -0.32 0.00 0.00 0.00 0.00 61.98 62.16 3hw9 s VAL 283 Cb 0.00 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 3hw9 s VAL 283 CO 0.00 -0.33 1.95 -1.84 0.00 0.00 0.00 175.10 174.87 3hw9 n GLU 284 N 8.25 2.53 0.00 2.72 0.00 -1.26 -0.03 120.64 132.84 3hw9 n GLU 284 Ca 0.22 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.31 3hw9 n GLU 284 Cb 0.46 -2.86 0.00 0.00 0.00 0.00 0.00 31.44 29.04 3hw9 n GLU 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hw9 n GLY 285 N 4.56 2.25 1.24 -1.84 0.00 -1.26 -4.86 105.19 105.27 3hw9 n GLY 285 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.41 0.37 0.00 -0.61 5.41 -0.40 -5.12 119.36 118.60 3hw9 n ILE 286 Ca 0.00 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3hw9 n ILE 286 Cb 0.00 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 3.05 1.92 3.38 7.39 0.00 0.95 -4.95 105.19 116.93 3hw9 n GLY 287 Ca 0.00 -0.76 -0.35 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 4.62 -0.04 1.61 1.11 -1.26 -1.29 116.67 117.43 3hw9 s ASP 288 Ca 0.00 -0.30 -0.03 0.00 0.18 0.00 0.00 52.55 52.40 3hw9 s ASP 288 Cb 0.00 -1.80 0.01 0.00 1.07 0.00 0.00 42.92 42.20 3hw9 s ASP 288 CO 0.00 -0.00 0.09 0.68 1.18 0.00 0.00 175.17 177.12 3hw9 s VAL 289 N 1.38 -0.01 -0.13 -1.27 -7.23 -0.44 -4.99 120.40 107.70 3hw9 s VAL 289 Ca 0.05 0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.96 3hw9 s VAL 289 Cb -0.15 -0.14 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 3hw9 s VAL 289 CO -0.00 0.01 0.96 -1.81 -0.31 0.00 0.00 175.10 173.95 3hw9 s ASP 290 N 0.23 7.16 -0.18 4.85 1.01 -1.26 0.28 116.67 128.76 3hw9 s ASP 290 Ca -0.01 1.43 -0.20 0.00 0.71 0.00 0.00 52.55 54.48 3hw9 s ASP 290 Cb -0.02 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.21 3hw9 s ASP 290 CO -0.01 -0.45 0.25 -0.07 0.21 0.00 0.00 175.17 175.11 3hw9 h LEU 291 N 8.16 0.00 -7.70 1.23 3.38 -0.63 -3.47 115.31 116.28 3hw9 h LEU 291 Ca -0.30 -0.50 -0.44 0.00 0.09 0.00 0.00 57.88 56.73 3hw9 h LEU 291 Cb 1.14 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.54 3hw9 h LEU 291 CO 0.86 1.23 -0.78 -0.69 0.09 0.00 0.00 178.44 179.15 3hw9 s VAL 292 N -2.27 0.61 -0.26 1.22 1.01 -0.34 -4.98 120.40 115.38 3hw9 s VAL 292 Ca -0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3hw9 s VAL 292 Cb 0.03 -0.65 0.14 0.00 0.00 0.00 0.00 36.38 35.90 3hw9 s VAL 292 CO 0.52 0.26 0.38 0.21 0.00 0.00 0.00 175.10 176.48 3hw9 s ASN 293 N 1.22 0.31 0.15 3.32 3.84 -1.25 0.93 114.94 123.46 3hw9 s ASN 293 Ca -0.06 0.06 -0.21 0.00 0.21 0.00 0.00 52.86 52.86 3hw9 s ASN 293 Cb -0.14 1.11 0.06 0.00 -0.55 0.00 0.00 41.25 41.73 3hw9 s ASN 293 CO -0.02 -0.31 0.55 -0.72 -2.79 0.00 0.00 177.10 173.81 3hw9 s TYR 294 N 2.54 -0.46 -0.06 0.43 -0.85 -0.67 -0.40 117.35 117.89 3hw9 s TYR 294 Ca 0.12 0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.88 3hw9 s TYR 294 Cb -0.15 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 3hw9 s TYR 294 CO -0.20 -0.81 0.02 -0.06 -1.52 0.00 0.00 175.55 172.98 3hw9 s PHE 295 N -3.75 3.19 -0.11 -3.49 0.40 -0.42 -1.72 117.98 112.09 3hw9 s PHE 295 Ca 0.01 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 3hw9 s PHE 295 Cb -0.00 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 3hw9 s PHE 295 CO -0.13 0.50 -0.16 -2.00 0.70 0.00 0.00 175.22 174.13 3hw9 s GLU 296 N -1.12 3.11 -0.10 0.44 -6.30 0.13 -0.13 118.70 114.73 3hw9 s GLU 296 Ca 0.16 -0.73 0.00 0.00 -2.50 0.00 0.00 54.97 51.90 3hw9 s GLU 296 Cb -0.11 -2.50 0.02 0.00 0.00 0.00 0.00 34.13 31.53 3hw9 s GLU 296 CO 0.05 0.30 -0.08 0.08 0.02 0.00 0.00 175.26 175.63 3hw9 s VAL 297 N 0.11 1.01 0.32 3.70 1.01 -0.42 -1.24 120.40 124.90 3hw9 s VAL 297 Ca -0.07 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3hw9 s VAL 297 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.24 3hw9 s VAL 297 CO 0.05 0.36 0.60 -0.83 0.00 0.00 0.00 175.10 175.28 3hw9 s GLY 298 N 1.46 0.72 -0.23 4.51 0.00 0.12 -0.88 107.32 113.02 3hw9 s GLY 298 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.60 3hw9 s GLY 298 CO -0.05 -0.59 0.56 0.00 0.00 0.00 0.00 173.10 173.02 3hw9 s ALA 299 N -3.19 -1.47 -0.16 3.20 0.00 -0.84 0.37 121.76 119.67 3hw9 s ALA 299 Ca 0.22 1.92 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3hw9 s ALA 299 Cb -0.03 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 3hw9 s ALA 299 CO 0.13 -0.31 -0.15 0.99 0.00 0.00 0.00 175.76 176.42 3hw9 s THR 300 N 1.25 2.69 -0.24 0.00 2.01 0.31 -1.95 115.64 119.70 3hw9 s THR 300 Ca -0.08 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 3hw9 s THR 300 Cb -0.06 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 3hw9 s THR 300 CO -0.13 0.51 0.03 -0.47 -0.69 0.00 0.00 174.62 173.87 3hw9 s TYR 301 N 0.86 3.04 -0.28 4.92 6.14 0.64 0.54 117.35 133.20 3hw9 s TYR 301 Ca -0.04 -0.72 -0.13 0.00 0.64 0.00 0.00 57.07 56.82 3hw9 s TYR 301 Cb -0.15 -2.19 -0.04 0.00 0.42 0.00 0.00 41.96 40.00 3hw9 s TYR 301 CO -0.01 -0.47 0.26 0.71 0.64 0.00 0.00 175.55 176.68 3hw9 s TYR 302 N 1.54 3.23 -0.02 4.97 2.02 -0.50 -1.12 117.35 127.46 3hw9 s TYR 302 Ca 0.05 0.18 -0.24 0.00 -0.37 0.00 0.00 57.07 56.70 3hw9 s TYR 302 Cb -0.15 -2.47 -0.21 0.00 -0.40 0.00 0.00 41.96 38.74 3hw9 s TYR 302 CO 0.01 -0.21 1.15 0.74 -1.57 0.00 0.00 175.55 175.66 3hw9 h PHE 303 N 8.32 0.24 0.00 2.71 0.04 -1.50 -3.39 116.94 123.36 3hw9 h PHE 303 Ca -0.33 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3hw9 h PHE 303 Cb 1.18 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.29 3hw9 h PHE 303 CO 0.75 0.81 0.00 0.27 -0.60 0.00 0.00 178.31 179.54 3hw9 n ASN 304 N -4.59 1.93 0.19 2.17 0.23 -1.18 -4.98 115.26 109.03 3hw9 n ASN 304 Ca -0.09 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.06 3hw9 n ASN 304 Cb 0.42 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.25 3hw9 n ASN 304 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3hw9 h LYS 305 N 0.00 0.00 0.00 -3.83 1.57 -1.98 -3.39 116.57 108.94 3hw9 h LYS 305 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3hw9 h LYS 305 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hw9 h LYS 305 CO 0.00 0.13 -1.91 0.09 -0.57 0.00 0.00 179.45 177.19 3hw9 n ASN 306 N -3.12 2.38 -4.60 0.86 4.13 -1.26 -4.88 115.26 108.77 3hw9 n ASN 306 Ca 0.03 -0.05 -0.34 0.00 1.68 0.00 0.00 54.58 55.90 3hw9 n ASN 306 Cb 0.59 0.17 -0.11 0.00 -1.54 0.00 0.00 39.78 38.88 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 -2.32 3.01 -0.11 3.52 1.75 -1.26 -0.52 119.30 123.37 3hw9 s MET 307 Ca -0.16 -0.49 -0.22 0.00 -1.25 0.00 0.00 55.69 53.57 3hw9 s MET 307 Cb 0.05 -2.72 0.05 0.00 2.84 0.00 0.00 34.83 35.05 3hw9 s MET 307 CO 0.44 0.60 0.53 -1.54 -0.65 0.00 0.00 175.02 174.39 3hw9 s SER 308 N -0.61 -0.50 -0.00 1.11 1.04 -0.33 -1.21 113.70 113.19 3hw9 s SER 308 Ca 0.09 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.29 3hw9 s SER 308 Cb -0.12 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3hw9 s SER 308 CO 0.02 -0.38 -0.14 0.42 0.98 0.00 0.00 173.24 174.14 3hw9 s THR 309 N -0.57 1.07 0.08 2.02 -4.23 -0.27 0.01 115.64 113.74 3hw9 s THR 309 Ca -0.07 -0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 59.73 3hw9 s THR 309 Cb -0.03 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 3hw9 s THR 309 CO 0.04 0.25 0.16 -0.72 -0.54 0.00 0.00 174.62 173.82 3hw9 s TYR 310 N -0.40 0.19 -0.06 3.99 -0.85 -0.55 -0.26 117.35 119.42 3hw9 s TYR 310 Ca 0.05 -0.62 -0.00 0.00 -0.52 0.00 0.00 57.07 55.97 3hw9 s TYR 310 Cb -0.06 -0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.21 3hw9 s TYR 310 CO -0.00 -0.51 -0.02 0.54 -1.52 0.00 0.00 175.55 174.04 3hw9 s VAL 311 N -3.72 0.45 -0.19 -3.49 0.11 -0.82 -1.42 120.40 111.31 3hw9 s VAL 311 Ca 0.04 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3hw9 s VAL 311 Cb 0.05 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3hw9 s VAL 311 CO -0.10 0.24 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.15 3hw9 s ASP 312 N 1.51 3.59 -0.16 3.54 -1.08 0.69 -1.99 116.67 122.77 3hw9 s ASP 312 Ca -0.02 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 3hw9 s ASP 312 Cb -0.13 -1.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.75 3hw9 s ASP 312 CO -0.03 0.01 -0.16 -0.47 0.52 0.00 0.00 175.17 175.03 3hw9 s TYR 313 N 1.28 2.78 -0.30 -5.34 5.04 -0.06 -0.21 117.35 120.54 3hw9 s TYR 313 Ca 0.04 -1.11 -0.08 0.00 -2.44 0.00 0.00 57.07 53.47 3hw9 s TYR 313 Cb -0.14 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.28 3hw9 s TYR 313 CO -0.08 -0.52 0.11 0.42 -1.34 0.00 0.00 175.55 174.14 3hw9 s ILE 314 N 0.88 4.26 -0.97 3.14 -1.09 -0.91 -1.30 121.20 125.22 3hw9 s ILE 314 Ca -0.04 -0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 57.65 3hw9 s ILE 314 Cb -0.15 -3.18 0.12 0.00 -1.58 0.00 0.00 42.46 37.68 3hw9 s ILE 314 CO -0.01 0.09 1.20 -0.63 -1.23 0.00 0.00 174.94 174.36 3hw9 s ILE 315 N 1.56 4.65 -0.20 2.92 1.01 0.82 -3.46 121.20 128.50 3hw9 s ILE 315 Ca 0.04 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 58.82 3hw9 s ILE 315 Cb -0.17 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 37.44 3hw9 s ILE 315 CO 0.04 -1.58 1.60 0.21 0.00 0.00 0.00 174.94 175.21 3hw9 s ASN 316 N 3.74 6.45 0.00 3.58 3.84 -1.26 -1.30 114.94 129.99 3hw9 s ASN 316 Ca 0.36 1.69 0.27 0.00 0.21 0.00 0.00 52.86 55.39 3hw9 s ASN 316 Cb -0.04 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.92 3hw9 s ASN 316 CO -0.08 -1.19 1.59 0.00 -2.79 0.00 0.00 177.10 174.63 3hw9 n GLN 317 N 7.53 1.21 -1.99 0.43 1.13 0.46 -4.84 117.38 121.32 3hw9 n GLN 317 Ca 0.18 -0.75 -0.42 0.00 -1.94 0.00 0.00 57.00 54.07 3hw9 n GLN 317 Cb 0.45 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.30 2.82 0.66 5.09 -1.09 -1.05 -4.96 121.20 120.37 3hw9 s ILE 318 Ca 0.29 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 3hw9 s ILE 318 Cb 0.20 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3hw9 s ILE 318 CO 0.45 0.04 0.96 1.51 -1.23 0.00 0.00 174.94 176.67 3hw9 s ASP 319 N 1.23 5.02 0.17 3.58 -4.77 -1.26 -4.62 116.67 116.01 3hw9 s ASP 319 Ca 0.69 0.44 0.25 0.00 -3.30 0.00 0.00 52.55 50.63 3hw9 s ASP 319 Cb -0.42 -1.18 0.91 0.00 -1.09 0.00 0.00 42.92 41.14 3hw9 s ASP 319 CO 0.31 -1.44 1.75 -1.20 0.70 0.00 0.00 175.17 175.29 3hw9 n SER 320 N -2.78 0.57 -1.11 2.11 7.64 -1.26 -3.52 113.62 115.26 3hw9 n SER 320 Ca 0.07 0.58 0.05 0.00 1.01 0.00 0.00 58.87 60.59 3hw9 n SER 320 Cb 0.60 -0.73 0.21 0.00 -1.01 0.00 0.00 64.21 63.29 3hw9 n SER 320 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hw9 n ASP 321 N -2.07 3.19 -4.74 6.43 8.00 -1.26 -4.96 116.55 121.14 3hw9 n ASP 321 Ca 0.05 -2.34 -0.42 0.00 0.71 0.00 0.00 54.79 52.79 3hw9 n ASP 321 Cb 0.33 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.63 6.45 0.38 -2.24 3.84 -1.23 -4.92 114.94 116.58 3hw9 s ASN 322 Ca 0.30 2.86 0.25 0.00 0.21 0.00 0.00 52.86 56.49 3hw9 s ASN 322 Cb 0.20 -2.63 0.67 0.00 -0.55 0.00 0.00 41.25 38.95 3hw9 s ASN 322 CO 0.13 -0.87 1.72 0.11 -2.79 0.00 0.00 177.10 175.40 3hw9 h LYS 323 N 5.16 0.00 -0.00 0.43 1.79 -1.95 -3.17 116.57 118.83 3hw9 h LYS 323 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3hw9 h LYS 323 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3hw9 h LYS 323 CO 0.81 0.00 -0.74 1.28 -1.08 0.00 0.00 179.45 179.72 3hw9 n LEU 324 N -2.80 0.82 -0.60 2.94 4.77 -1.26 -4.78 117.00 116.09 3hw9 n LEU 324 Ca 0.04 -0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 3hw9 n LEU 324 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3hw9 n LEU 324 CO 0.31 0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.16 3hw9 n GLY 325 N 1.49 0.37 3.77 -0.72 0.00 -1.20 -1.19 105.19 107.71 3hw9 n GLY 325 Ca 0.05 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.45 3.82 0.20 1.61 1.01 -1.26 -4.84 120.40 118.49 3hw9 s VAL 326 Ca 0.03 1.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.35 3hw9 s VAL 326 Cb -0.01 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.23 3hw9 s VAL 326 CO 0.04 0.27 1.46 0.61 0.00 0.00 0.00 175.10 177.48 3hw9 n GLY 327 N 0.96 0.86 0.00 4.51 0.00 -1.26 -4.91 105.19 105.35 3hw9 n GLY 327 Ca 0.01 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.62 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 2.62 0.59 -4.92 1.61 3.41 -1.20 -4.56 113.62 111.16 3hw9 n SER 328 Ca 0.14 -0.61 -0.26 0.00 -0.26 0.00 0.00 58.87 57.89 3hw9 n SER 328 Cb 0.30 1.03 -0.00 0.00 -0.26 0.00 0.00 64.21 65.27 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 -1.75 6.18 0.60 4.04 1.01 -1.15 -4.57 116.67 121.03 3hw9 s ASP 329 Ca 0.02 0.69 -0.16 0.00 0.71 0.00 0.00 52.55 53.80 3hw9 s ASP 329 Cb 0.05 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3hw9 s ASP 329 CO 0.28 -0.54 1.08 -1.81 0.21 0.00 0.00 175.17 174.40 3hw9 s ASP 330 N -4.11 5.63 -0.06 0.27 1.11 -1.26 -2.80 116.67 115.45 3hw9 s ASP 330 Ca 0.46 1.93 -0.01 0.00 0.18 0.00 0.00 52.55 55.11 3hw9 s ASP 330 Cb -0.10 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.37 3hw9 s ASP 330 CO 0.41 -1.28 0.01 -0.89 1.18 0.00 0.00 175.17 174.61 3hw9 s THR 331 N -2.27 0.26 -0.18 -1.27 2.01 -1.22 -4.61 115.64 108.34 3hw9 s THR 331 Ca 0.66 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 3hw9 s THR 331 Cb -0.18 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 3hw9 s THR 331 CO 0.35 0.22 0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 3hw9 s VAL 332 N 1.77 4.29 -0.17 3.82 1.01 -0.40 -2.14 120.40 128.59 3hw9 s VAL 332 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hw9 s VAL 332 Cb -0.13 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.35 3hw9 s VAL 332 CO -0.04 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.31 3hw9 s ALA 333 N 0.56 2.31 -0.15 5.51 0.00 0.70 0.89 121.76 131.57 3hw9 s ALA 333 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 3hw9 s ALA 333 Cb -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3hw9 s ALA 333 CO 0.02 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 175.53 3hw9 s VAL 334 N 1.12 3.27 0.03 0.00 1.01 -0.57 -0.22 120.40 125.02 3hw9 s VAL 334 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3hw9 s VAL 334 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3hw9 s VAL 334 CO -0.09 0.50 -0.05 -0.83 0.00 0.00 0.00 175.10 174.63 3hw9 s GLY 335 N 0.60 0.33 -0.10 4.51 0.00 -0.51 -1.36 107.32 110.80 3hw9 s GLY 335 Ca -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.05 3hw9 s GLY 335 CO 0.03 -0.68 -0.09 -1.50 0.00 0.00 0.00 173.10 170.86 3hw9 s ILE 336 N -1.34 1.07 -0.09 0.90 2.07 -0.30 -1.48 121.20 122.02 3hw9 s ILE 336 Ca -0.13 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 3hw9 s ILE 336 Cb -0.09 -1.04 0.01 0.00 0.13 0.00 0.00 42.46 41.46 3hw9 s ILE 336 CO -0.00 0.36 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.50 3hw9 s VAL 337 N 1.34 1.73 -0.13 4.00 1.01 0.10 -0.38 120.40 128.07 3hw9 s VAL 337 Ca -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3hw9 s VAL 337 Cb -0.14 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3hw9 s VAL 337 CO -0.04 0.49 -0.07 -0.47 0.00 0.00 0.00 175.10 175.00 3hw9 s TYR 338 N 0.55 2.94 0.10 5.22 5.04 -0.90 -1.19 117.35 129.10 3hw9 s TYR 338 Ca -0.15 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.18 3hw9 s TYR 338 Cb -0.17 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 3hw9 s TYR 338 CO 0.05 0.01 -0.07 1.14 -1.34 0.00 0.00 175.55 175.34 3hw9 s GLN 339 N 0.06 0.83 0.00 4.97 -2.07 0.32 -0.62 119.66 123.16 3hw9 s GLN 339 Ca -0.02 -1.31 0.00 0.00 -1.82 0.00 0.00 55.36 52.21 3hw9 s GLN 339 Cb -0.14 -0.24 0.00 0.00 -1.09 0.00 0.00 33.01 31.54 3hw9 s GLN 339 CO 0.03 -0.01 0.00 1.97 -1.32 0.00 0.00 175.29 175.97