#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx9 n GLY 3 N 0.00 4.61 3.82 3.41 0.00 -1.26 -4.23 105.19 111.54 3dx9 n GLY 3 Ca 0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 3dx9 n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx9 s VAL 4 N -2.97 4.56 0.19 1.61 1.01 -1.26 -4.58 120.40 118.95 3dx9 s VAL 4 Ca 0.39 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.71 3dx9 s VAL 4 Cb 0.34 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3dx9 s VAL 4 CO 0.03 0.09 -0.19 -0.94 0.00 0.00 0.00 175.10 174.09 3dx9 s SER 5 N -1.81 2.95 0.02 3.32 1.04 -0.41 -4.38 113.70 114.42 3dx9 s SER 5 Ca 0.47 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3dx9 s SER 5 Cb -0.15 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3dx9 s SER 5 CO 0.20 -0.00 -0.03 -1.10 0.98 0.00 0.00 173.24 173.29 3dx9 s GLN 6 N -2.92 0.27 -0.04 4.02 -0.21 -1.26 0.50 119.66 120.01 3dx9 s GLN 6 Ca 0.19 -0.45 -0.02 0.00 0.02 0.00 0.00 55.36 55.10 3dx9 s GLN 6 Cb -0.06 0.00 0.03 0.00 1.00 0.00 0.00 33.01 33.99 3dx9 s GLN 6 CO 0.08 -0.02 0.08 -0.80 -2.12 0.00 0.00 175.29 172.52 3dx9 s ASN 7 N -1.03 0.49 0.94 5.90 0.01 -0.37 -4.32 114.94 116.56 3dx9 s ASN 7 Ca -0.10 0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.11 3dx9 s ASN 7 Cb -0.07 0.01 0.12 0.00 0.41 0.00 0.00 41.25 41.72 3dx9 s ASN 7 CO -0.01 -0.19 0.74 -0.81 -1.51 0.00 0.00 177.10 175.32 3dx9 n PRO 8 N 4.73 -0.61 0.16 -0.60 -0.04 -1.26 -0.88 135.00 136.50 3dx9 n PRO 8 Ca -0.16 -1.23 0.04 0.00 -0.04 0.00 0.00 63.50 62.10 3dx9 n PRO 8 Cb 0.50 -0.73 0.18 0.00 -0.04 0.00 0.00 33.50 33.41 3dx9 n PRO 8 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3dx9 h ARG 9 N 0.00 0.00 -2.70 0.54 9.65 -1.81 -3.40 114.38 116.67 3dx9 h ARG 9 Ca -0.24 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 3dx9 h ARG 9 Cb 0.68 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.12 3dx9 h ARG 9 CO 0.18 0.46 0.23 -3.38 2.80 0.00 0.00 179.97 180.26 3dx9 s HIS 10 N -3.26 -0.55 -0.28 2.20 -3.43 -1.26 -1.47 115.29 107.23 3dx9 s HIS 10 Ca 0.02 0.51 -0.14 0.00 -0.80 0.00 0.00 55.06 54.64 3dx9 s HIS 10 Cb 0.09 0.52 0.09 0.00 -1.43 0.00 0.00 32.58 31.86 3dx9 s HIS 10 CO 0.72 -0.76 0.66 0.21 -2.00 0.00 0.00 174.74 173.57 3dx9 s LYS 11 N -3.08 0.66 -0.27 -0.38 2.47 -0.92 -4.90 119.74 113.32 3dx9 s LYS 11 Ca -0.01 1.26 -0.05 0.00 -1.56 0.00 0.00 55.97 55.61 3dx9 s LYS 11 Cb -0.01 0.31 0.01 0.00 -1.46 0.00 0.00 37.83 36.69 3dx9 s LYS 11 CO -0.07 -0.16 0.01 0.42 0.16 0.00 0.00 175.35 175.71 3dx9 s ILE 12 N 1.94 3.51 0.29 5.43 1.01 -1.26 -1.80 121.20 130.32 3dx9 s ILE 12 Ca -0.09 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3dx9 s ILE 12 Cb -0.07 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 3dx9 s ILE 12 CO -0.19 0.17 -0.02 0.42 0.00 0.00 0.00 174.94 175.32 3dx9 s THR 13 N 1.44 3.09 0.72 2.92 -4.23 -0.76 -4.93 115.64 113.89 3dx9 s THR 13 Ca 0.02 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3dx9 s THR 13 Cb -0.17 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 70.96 3dx9 s THR 13 CO -0.01 -0.33 1.07 -0.75 -0.54 0.00 0.00 174.62 174.06 3dx9 s LYS 14 N -3.67 2.40 0.12 3.99 2.20 -1.26 -1.12 119.74 122.40 3dx9 s LYS 14 Ca 0.32 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 3dx9 s LYS 14 Cb -0.05 -2.08 -0.07 0.00 -1.51 0.00 0.00 37.83 34.12 3dx9 s LYS 14 CO 0.19 -1.21 1.60 0.00 -0.36 0.00 0.00 175.35 175.57 3dx9 h ARG 15 N -0.69 -0.52 -0.67 4.03 3.08 -1.72 -3.06 114.38 114.84 3dx9 h ARG 15 Ca -0.45 0.04 0.12 0.00 0.07 0.00 0.00 59.98 59.76 3dx9 h ARG 15 Cb 1.30 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.42 3dx9 h ARG 15 CO 0.63 -0.34 0.45 0.78 -1.07 0.00 0.00 179.97 180.42 3dx9 h GLY 16 N -0.54 0.61 -1.71 0.04 0.00 -1.91 -2.63 103.07 96.94 3dx9 h GLY 16 Ca 0.05 -0.17 -0.51 0.00 0.00 0.00 0.00 47.33 46.70 3dx9 h GLY 16 CO -0.27 0.08 0.38 1.20 0.00 0.00 0.00 176.54 177.92 3dx9 s GLN 17 N -5.38 2.76 0.36 4.80 -1.52 -1.16 -3.61 119.66 115.91 3dx9 s GLN 17 Ca -0.08 1.42 -0.09 0.00 -1.95 0.00 0.00 55.36 54.67 3dx9 s GLN 17 Cb 0.20 -1.94 -0.06 0.00 -0.22 0.00 0.00 33.01 30.99 3dx9 s GLN 17 CO 0.76 -1.29 0.69 -0.80 -0.25 0.00 0.00 175.29 174.40 3dx9 s ASN 18 N -2.53 6.50 -0.07 5.90 0.01 -1.26 -1.33 114.94 122.16 3dx9 s ASN 18 Ca 0.68 0.99 -0.11 0.00 -0.71 0.00 0.00 52.86 53.70 3dx9 s ASN 18 Cb -0.21 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.21 3dx9 s ASN 18 CO 0.42 -0.32 0.29 -0.69 -1.51 0.00 0.00 177.10 175.28 3dx9 s VAL 19 N -2.25 0.03 -0.03 1.60 1.01 -0.61 -5.01 120.40 115.14 3dx9 s VAL 19 Ca 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3dx9 s VAL 19 Cb -0.10 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3dx9 s VAL 19 CO 0.30 -0.12 0.00 -0.89 0.00 0.00 0.00 175.10 174.39 3dx9 s THR 20 N -0.48 0.17 0.22 3.92 2.01 -1.26 -1.31 115.64 118.91 3dx9 s THR 20 Ca -0.06 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.12 3dx9 s THR 20 Cb -0.04 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 3dx9 s THR 20 CO 0.02 0.15 0.05 -0.36 -0.69 0.00 0.00 174.62 173.79 3dx9 s PHE 21 N 1.09 2.88 0.07 4.92 0.08 0.34 -4.74 117.98 122.63 3dx9 s PHE 21 Ca -0.09 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 56.89 3dx9 s PHE 21 Cb -0.13 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 3dx9 s PHE 21 CO -0.02 0.55 -0.19 0.50 -0.10 0.00 0.00 175.22 175.96 3dx9 s ARG 22 N -3.38 1.17 -0.04 0.44 3.52 -0.06 -1.49 118.95 119.11 3dx9 s ARG 22 Ca 0.30 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3dx9 s ARG 22 Cb -0.08 -1.33 0.02 0.00 -1.56 0.00 0.00 34.95 32.01 3dx9 s ARG 22 CO 0.21 0.32 -0.04 0.00 -0.81 0.00 0.00 175.30 174.97 3dx9 s ASP 24 N 0.94 4.93 0.93 0.00 1.01 0.18 -1.63 116.67 123.03 3dx9 s ASP 24 Ca -0.11 -0.78 -0.13 0.00 0.71 0.00 0.00 52.55 52.25 3dx9 s ASP 24 Cb -0.14 -1.82 0.15 0.00 1.01 0.00 0.00 42.92 42.12 3dx9 s ASP 24 CO -0.00 -0.18 1.15 -2.16 0.21 0.00 0.00 175.17 174.18 3dx9 s PRO 25 N 1.45 0.95 0.25 8.23 0.04 -1.26 -1.29 135.00 143.37 3dx9 s PRO 25 Ca 0.02 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 3dx9 s PRO 25 Cb -0.17 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3dx9 s PRO 25 CO 0.01 -2.32 1.29 0.42 0.04 0.00 0.00 177.00 176.44 3dx9 s ILE 26 N -3.29 3.06 0.04 0.56 1.01 -1.26 -4.83 121.20 116.49 3dx9 s ILE 26 Ca 0.65 0.95 -0.38 0.00 0.00 0.00 0.00 60.65 61.86 3dx9 s ILE 26 Cb -0.14 -3.60 -0.19 0.00 0.01 0.00 0.00 42.46 38.54 3dx9 s ILE 26 CO 0.54 0.18 1.12 -0.24 0.00 0.00 0.00 174.94 176.53 3dx9 n SER 27 N 1.89 0.43 -0.27 3.58 2.88 -1.26 -1.28 113.62 119.58 3dx9 n SER 27 Ca 0.03 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.69 3dx9 n SER 27 Cb 0.43 -1.00 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 3dx9 n SER 27 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dx9 n GLU 28 N 1.76 -1.13 -2.22 -1.46 -0.58 -1.26 -4.95 120.64 110.80 3dx9 n GLU 28 Ca 0.19 0.49 -0.41 0.00 -0.42 0.00 0.00 57.16 57.01 3dx9 n GLU 28 Cb 0.12 -4.43 -0.03 0.00 -0.57 0.00 0.00 31.44 26.53 3dx9 n GLU 28 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3dx9 s HIS 29 N -1.69 2.00 0.20 -0.32 3.76 -0.40 -4.88 115.29 113.96 3dx9 s HIS 29 Ca 0.00 0.58 0.10 0.00 -0.15 0.00 0.00 55.06 55.58 3dx9 s HIS 29 Cb 0.00 -4.26 0.70 0.00 1.11 0.00 0.00 32.58 30.13 3dx9 s HIS 29 CO 0.00 -2.25 0.90 -1.71 -0.85 0.00 0.00 174.74 170.83 3dx9 n ASN 30 N 10.72 0.14 -4.26 1.40 5.15 -0.63 -4.72 115.26 123.06 3dx9 n ASN 30 Ca 0.16 0.95 -0.29 0.00 -0.60 0.00 0.00 54.58 54.80 3dx9 n ASN 30 Cb 0.50 -0.44 -0.16 0.00 -0.53 0.00 0.00 39.78 39.15 3dx9 n ASN 30 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3dx9 s ARG 31 N -4.99 2.02 -0.04 1.20 0.52 -0.75 -1.26 118.95 115.66 3dx9 s ARG 31 Ca -0.06 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3dx9 s ARG 31 Cb 0.19 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.80 3dx9 s ARG 31 CO 0.44 0.46 -0.03 -1.17 0.02 0.00 0.00 175.30 175.03 3dx9 s LEU 39 N -0.43 1.30 0.13 2.53 0.20 -1.12 -0.92 118.68 120.37 3dx9 s LEU 39 Ca 0.06 -0.09 0.09 0.00 0.69 0.00 0.00 54.13 54.88 3dx9 s LEU 39 Cb -0.10 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.26 3dx9 s LEU 39 CO 0.00 -0.07 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.50 3dx9 s TYR 40 N 0.90 2.51 -0.06 5.38 2.02 0.14 -0.75 117.35 127.49 3dx9 s TYR 40 Ca -0.11 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 3dx9 s TYR 40 Cb -0.14 -1.32 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 3dx9 s TYR 40 CO -0.00 0.40 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.60 3dx9 s TRP 41 N -1.20 2.02 0.18 2.71 0.52 -0.02 -1.39 118.94 121.76 3dx9 s TRP 41 Ca 0.18 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.69 3dx9 s TRP 41 Cb -0.10 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 3dx9 s TRP 41 CO 0.10 -0.26 -0.15 0.71 0.02 0.00 0.00 176.95 177.38 3dx9 s TYR 42 N 0.19 1.65 0.14 -1.98 2.02 0.14 -1.68 117.35 117.83 3dx9 s TYR 42 Ca -0.09 -0.57 0.11 0.00 -0.37 0.00 0.00 57.07 56.14 3dx9 s TYR 42 Cb -0.14 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3dx9 s TYR 42 CO 0.04 0.31 -0.26 -0.98 -1.57 0.00 0.00 175.55 173.09 3dx9 s ARG 43 N -3.43 1.45 -0.05 -0.62 1.70 -0.45 0.36 118.95 117.92 3dx9 s ARG 43 Ca 0.20 -1.37 -0.03 0.00 -0.47 0.00 0.00 55.73 54.05 3dx9 s ARG 43 Cb -0.02 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 32.48 3dx9 s ARG 43 CO 0.06 0.44 0.11 -1.14 -1.08 0.00 0.00 175.30 173.69 3dx9 s GLN 44 N -2.17 0.11 0.29 3.89 0.74 0.12 0.34 119.66 122.96 3dx9 s GLN 44 Ca 0.15 0.21 0.10 0.00 0.05 0.00 0.00 55.36 55.88 3dx9 s GLN 44 Cb -0.10 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 33.94 3dx9 s GLN 44 CO 0.07 -0.07 -0.08 0.95 -0.55 0.00 0.00 175.29 175.61 3dx9 s THR 45 N 0.43 2.90 0.05 -0.34 -4.23 -1.26 -0.58 115.64 112.60 3dx9 s THR 45 Ca -0.03 -2.13 -0.34 0.00 -1.18 0.00 0.00 61.69 58.01 3dx9 s THR 45 Cb -0.04 -2.61 -0.12 0.00 1.34 0.00 0.00 72.50 71.06 3dx9 s THR 45 CO -0.02 -0.35 1.74 -0.11 -0.54 0.00 0.00 174.62 175.34 3dx9 n LEU 46 N -0.79 3.39 0.00 4.79 7.94 -1.26 -1.65 117.00 129.42 3dx9 n LEU 46 Ca -0.05 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3dx9 n LEU 46 Cb 0.60 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3dx9 n LEU 46 CO 0.40 -0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 3dx9 n GLY 47 N 3.95 0.59 3.37 -3.96 0.00 -1.26 -5.04 105.19 102.85 3dx9 n GLY 47 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3dx9 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dx9 s GLN 48 N -0.11 1.41 0.70 1.61 -0.21 -0.66 -5.15 119.66 117.25 3dx9 s GLN 48 Ca 0.00 -1.64 -0.11 0.00 0.02 0.00 0.00 55.36 53.63 3dx9 s GLN 48 Cb 0.00 -1.22 0.02 0.00 1.00 0.00 0.00 33.01 32.81 3dx9 s GLN 48 CO 0.00 0.19 1.09 0.20 -2.12 0.00 0.00 175.29 174.65 3dx9 s GLY 49 N -3.36 1.63 0.40 3.09 0.00 -1.26 -4.58 107.32 103.23 3dx9 s GLY 49 Ca 0.24 -0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 3dx9 s GLY 49 CO 0.09 -0.00 1.49 -4.14 0.00 0.00 0.00 173.10 170.53 3dx9 s PRO 50 N -5.35 3.98 -0.19 2.90 0.02 -1.26 -4.70 135.00 130.40 3dx9 s PRO 50 Ca 0.58 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 64.12 3dx9 s PRO 50 Cb -0.11 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 3dx9 s PRO 50 CO 0.51 -0.63 -0.01 -2.00 -0.33 0.00 0.00 177.00 174.54 3dx9 s GLU 51 N -2.21 3.62 0.16 5.54 2.12 0.15 -4.92 118.70 123.16 3dx9 s GLU 51 Ca 0.55 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 3dx9 s GLU 51 Cb -0.46 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 30.81 3dx9 s GLU 51 CO 0.62 0.07 1.50 0.12 -0.54 0.00 0.00 175.26 177.04 3dx9 s PHE 52 N 0.83 3.11 -0.11 5.30 2.19 -1.26 -1.34 117.98 126.71 3dx9 s PHE 52 Ca 0.00 0.76 -0.13 0.00 0.33 0.00 0.00 56.93 57.89 3dx9 s PHE 52 Cb -0.14 -3.84 -0.04 0.00 -1.31 0.00 0.00 43.02 37.68 3dx9 s PHE 52 CO 0.02 -3.04 -0.26 1.28 1.83 0.00 0.00 175.22 175.05 3dx9 n LEU 53 N 3.81 1.66 -3.45 6.12 4.77 -0.68 -4.62 117.00 124.61 3dx9 n LEU 53 Ca 0.12 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 3dx9 n LEU 53 Cb 0.40 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3dx9 n LEU 53 CO 0.60 -0.38 0.51 0.28 -1.33 0.00 0.00 177.39 177.07 3dx9 s THR 54 N -2.61 0.00 0.05 -5.08 -1.32 -1.18 -0.04 115.64 105.45 3dx9 s THR 54 Ca -0.21 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.23 3dx9 s THR 54 Cb 0.03 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 3dx9 s THR 54 CO 0.32 0.00 0.04 -0.72 -2.21 0.00 0.00 174.62 172.05 3dx9 s TYR 55 N -3.40 0.34 0.04 9.09 1.13 -1.06 -0.84 117.35 122.65 3dx9 s TYR 55 Ca 0.02 -0.77 0.08 0.00 -1.41 0.00 0.00 57.07 54.99 3dx9 s TYR 55 Cb -0.01 -0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 3dx9 s TYR 55 CO -0.11 -0.37 -0.21 -0.06 -2.51 0.00 0.00 175.55 172.29 3dx9 s PHE 56 N -3.22 2.46 -0.22 -3.49 0.08 0.07 -3.88 117.98 109.79 3dx9 s PHE 56 Ca 0.00 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3dx9 s PHE 56 Cb 0.03 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 3dx9 s PHE 56 CO -0.07 0.21 -0.13 -1.14 -0.10 0.00 0.00 175.22 173.99 3dx9 s GLN 57 N -1.37 2.32 5.97 0.44 2.00 -0.57 -2.80 119.66 125.64 3dx9 s GLN 57 Ca 0.13 -1.06 0.00 0.00 -2.00 0.00 0.00 55.36 52.43 3dx9 s GLN 57 Cb -0.10 -2.66 0.00 0.00 0.80 0.00 0.00 33.01 31.04 3dx9 s GLN 57 CO 0.04 -0.45 0.00 0.09 -0.50 0.00 0.00 175.29 174.47 3dx9 n ASN 58 N 4.56 0.00 -0.12 6.67 4.13 -0.39 -0.85 115.26 129.26 3dx9 n ASN 58 Ca -0.16 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.25 3dx9 n ASN 58 Cb 0.45 0.00 0.67 0.00 -1.54 0.00 0.00 39.78 39.36 3dx9 n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3dx9 n GLU 59 N 14.00 0.78 -3.29 3.52 4.71 -1.26 -4.36 120.64 134.74 3dx9 n GLU 59 Ca 0.00 -0.23 -0.45 0.00 -0.01 0.00 0.00 57.16 56.46 3dx9 n GLU 59 Cb 0.00 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.88 3dx9 n GLU 59 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dx9 s ALA 60 N -2.38 3.58 0.77 0.62 0.00 -0.03 -4.76 121.76 119.56 3dx9 s ALA 60 Ca 0.32 -2.35 -0.15 0.00 0.00 0.00 0.00 51.96 49.79 3dx9 s ALA 60 Cb 0.20 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3dx9 s ALA 60 CO 0.45 -2.00 0.84 0.94 0.00 0.00 0.00 175.76 175.99 3dx9 n GLN 61 N 5.46 0.27 0.00 0.00 7.27 -1.26 -1.51 117.38 127.61 3dx9 n GLN 61 Ca -0.13 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3dx9 n GLN 61 Cb 0.42 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.94 3dx9 n GLN 61 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3dx9 n LEU 66 N -1.68 0.00 -3.70 1.69 -0.00 -1.26 -4.82 117.00 107.23 3dx9 n LEU 66 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.02 3dx9 n LEU 66 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 3dx9 n LEU 66 CO 0.49 0.00 0.09 -0.70 -0.00 0.00 0.00 177.39 177.28 3dx9 s GLU 67 N 0.00 0.45 -0.05 1.47 2.12 -1.25 -5.06 118.70 116.39 3dx9 s GLU 67 Ca 0.00 0.77 0.05 0.00 0.36 0.00 0.00 54.97 56.15 3dx9 s GLU 67 Cb 0.00 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 3dx9 s GLU 67 CO 0.00 -0.13 -0.20 -1.59 -0.54 0.00 0.00 175.26 172.80 3dx9 s LYS 68 N 1.10 2.00 0.39 4.30 -2.85 -1.26 -2.56 119.74 120.86 3dx9 s LYS 68 Ca -0.07 -0.70 -0.24 0.00 -1.00 0.00 0.00 55.97 53.95 3dx9 s LYS 68 Cb -0.07 -1.73 -0.09 0.00 -2.06 0.00 0.00 37.83 33.88 3dx9 s LYS 68 CO -0.10 0.30 1.07 -1.54 0.10 0.00 0.00 175.35 175.18 3dx9 s SER 69 N -0.05 6.74 0.00 0.03 1.04 0.94 -4.86 113.70 117.54 3dx9 s SER 69 Ca -0.03 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.50 3dx9 s SER 69 Cb -0.12 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3dx9 s SER 69 CO 0.02 -0.51 0.53 0.54 0.98 0.00 0.00 173.24 174.81 3dx9 n ARG 70 N 0.02 0.00 0.00 4.02 3.00 -1.26 -2.18 116.66 120.26 3dx9 n ARG 70 Ca 0.05 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 3dx9 n ARG 70 Cb 0.49 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.43 3dx9 n ARG 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3dx9 n LEU 71 N -1.03 0.00 0.00 0.55 7.94 -1.26 -4.80 117.00 118.39 3dx9 n LEU 71 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3dx9 n LEU 71 Cb 0.02 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3dx9 n LEU 71 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 3dx9 n LEU 72 N 0.00 0.00 -4.63 -1.96 4.77 -0.93 -4.93 117.00 109.33 3dx9 n LEU 72 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3dx9 n LEU 72 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 3dx9 n LEU 72 CO 0.00 0.00 0.65 -0.55 -1.33 0.00 0.00 177.39 176.16 3dx9 s SER 73 N 0.00 1.00 0.43 -1.43 0.15 -1.26 -4.93 113.70 107.66 3dx9 s SER 73 Ca 0.00 0.52 0.30 0.00 0.70 0.00 0.00 55.95 57.46 3dx9 s SER 73 Cb 0.00 -0.68 1.22 0.00 -1.71 0.00 0.00 66.02 64.85 3dx9 s SER 73 CO 0.00 -4.06 1.87 -0.78 1.20 0.00 0.00 173.24 171.47 3dx9 h ASP 74 N -2.54 0.00 0.83 5.45 3.58 -2.01 -2.72 116.42 119.02 3dx9 h ASP 74 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3dx9 h ASP 74 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3dx9 h ASP 74 CO 0.32 0.00 0.00 0.03 -2.88 0.00 0.00 179.24 176.71 3dx9 h ARG 75 N 0.00 0.00 -5.86 0.28 3.08 -1.92 -3.42 114.38 106.54 3dx9 h ARG 75 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3dx9 h ARG 75 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 3dx9 h ARG 75 CO 0.00 0.00 -0.29 -0.06 -1.07 0.00 0.00 179.97 178.55 3dx9 s PHE 76 N -3.66 3.67 -0.15 3.04 0.08 -1.03 0.10 117.98 120.03 3dx9 s PHE 76 Ca 0.01 0.83 -0.07 0.00 0.12 0.00 0.00 56.93 57.82 3dx9 s PHE 76 Cb 0.09 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 3dx9 s PHE 76 CO 0.49 0.63 0.34 -1.54 -0.10 0.00 0.00 175.22 175.04 3dx9 s SER 77 N -0.90 -0.27 -0.18 1.36 1.04 0.08 -4.85 113.70 109.97 3dx9 s SER 77 Ca 0.21 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 3dx9 s SER 77 Cb -0.15 0.75 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 3dx9 s SER 77 CO 0.10 -0.20 -0.12 0.00 0.98 0.00 0.00 173.24 174.00 3dx9 s ALA 78 N 1.71 2.60 0.24 5.32 0.00 -1.26 -0.11 121.76 130.26 3dx9 s ALA 78 Ca -0.07 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 50.90 3dx9 s ALA 78 Cb -0.10 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3dx9 s ALA 78 CO -0.11 -0.18 -0.08 -2.00 0.00 0.00 0.00 175.76 173.38 3dx9 s GLU 79 N 1.06 2.07 -0.48 0.00 2.56 0.35 -4.98 118.70 119.28 3dx9 s GLU 79 Ca -0.00 -1.44 0.06 0.00 0.00 0.00 0.00 54.97 53.59 3dx9 s GLU 79 Cb -0.15 -2.07 0.25 0.00 2.00 0.00 0.00 34.13 34.16 3dx9 s GLU 79 CO -0.03 0.38 0.87 -2.13 -0.56 0.00 0.00 175.26 173.79 3dx9 n ARG 80 N -0.48 0.79 0.15 4.30 0.63 -1.26 -1.38 116.66 119.41 3dx9 n ARG 80 Ca -0.08 -1.89 0.12 0.00 -0.92 0.00 0.00 57.85 55.08 3dx9 n ARG 80 Cb 0.58 -1.42 0.54 0.00 0.45 0.00 0.00 32.46 32.60 3dx9 n ARG 80 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3dx9 h PRO 81 N 3.94 0.00 0.00 -0.14 0.13 -1.90 -2.74 132.00 131.30 3dx9 h PRO 81 Ca -0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 3dx9 h PRO 81 Cb 1.02 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.06 3dx9 h PRO 81 CO 0.33 0.00 -0.55 1.63 -0.23 0.00 0.00 178.00 179.19 3dx9 n LYS 83 N -2.34 1.08 -2.33 0.86 5.02 -1.26 -4.96 118.16 114.24 3dx9 n LYS 83 Ca 0.01 -2.75 -0.06 0.00 -2.02 0.00 0.00 58.31 53.49 3dx9 n LYS 83 Cb 0.20 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3dx9 n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dx9 n GLY 84 N -0.73 -0.38 0.00 0.72 0.00 -1.03 -4.82 105.19 98.94 3dx9 n GLY 84 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dx9 n GLY 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dx9 n SER 85 N -1.41 0.00 -4.74 1.61 3.41 -1.26 -4.79 113.62 106.44 3dx9 n SER 85 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.19 3dx9 n SER 85 Cb 0.51 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 3dx9 n SER 85 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dx9 s PHE 86 N 1.94 2.20 -0.03 7.33 -0.71 -1.26 -4.52 117.98 122.93 3dx9 s PHE 86 Ca 0.00 1.55 0.04 0.00 -1.04 0.00 0.00 56.93 57.48 3dx9 s PHE 86 Cb 0.00 -3.50 -0.00 0.00 -1.21 0.00 0.00 43.02 38.31 3dx9 s PHE 86 CO 0.00 -2.49 -0.14 0.45 -1.34 0.00 0.00 175.22 171.70 3dx9 s SER 87 N -1.81 1.75 -0.03 1.98 0.15 -0.65 -4.33 113.70 110.77 3dx9 s SER 87 Ca 0.76 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 57.15 3dx9 s SER 87 Cb -0.31 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.56 3dx9 s SER 87 CO 0.40 0.13 -0.03 0.42 1.20 0.00 0.00 173.24 175.37 3dx9 s THR 88 N -0.01 3.98 -0.19 6.45 -4.23 -0.48 -0.53 115.64 120.64 3dx9 s THR 88 Ca -0.01 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3dx9 s THR 88 Cb -0.09 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 3dx9 s THR 88 CO 0.01 0.48 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.23 3dx9 s LEU 89 N -1.23 2.60 -0.20 4.79 2.96 -0.55 -0.49 118.68 126.56 3dx9 s LEU 89 Ca 0.16 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3dx9 s LEU 89 Cb -0.11 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3dx9 s LEU 89 CO 0.06 0.03 0.00 -0.70 -1.32 0.00 0.00 176.35 174.42 3dx9 s GLU 90 N 1.16 3.64 -0.21 1.98 2.12 0.85 -0.50 118.70 127.74 3dx9 s GLU 90 Ca 0.01 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 3dx9 s GLU 90 Cb -0.14 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3dx9 s GLU 90 CO -0.04 0.03 -0.05 0.42 -0.54 0.00 0.00 175.26 175.09 3dx9 s ILE 91 N 0.95 3.43 0.35 -3.70 1.01 -0.43 -0.75 121.20 122.06 3dx9 s ILE 91 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3dx9 s ILE 91 Cb -0.14 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3dx9 s ILE 91 CO 0.02 0.43 0.54 -1.10 0.00 0.00 0.00 174.94 174.84 3dx9 s GLN 92 N 1.29 3.39 -0.59 2.79 -0.21 0.12 -1.58 119.66 124.87 3dx9 s GLN 92 Ca 0.03 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 54.86 3dx9 s GLN 92 Cb -0.14 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.20 3dx9 s GLN 92 CO -0.02 0.11 0.36 0.54 -2.12 0.00 0.00 175.29 174.17 3dx9 n ARG 93 N -1.78 -0.71 -1.57 2.91 1.74 -1.23 -4.74 116.66 111.27 3dx9 n ARG 93 Ca -0.04 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 3dx9 n ARG 93 Cb 0.57 -1.10 0.03 0.00 -1.02 0.00 0.00 32.46 30.93 3dx9 n ARG 93 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dx9 n THR 94 N -2.57 2.72 -4.40 0.55 -2.24 -0.44 -4.89 114.28 103.02 3dx9 n THR 94 Ca -0.12 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.92 3dx9 n THR 94 Cb 0.35 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.43 3dx9 n THR 94 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dx9 s GLU 95 N -2.21 1.16 0.32 -0.78 2.02 -1.26 -4.32 118.70 113.63 3dx9 s GLU 95 Ca 0.68 -1.03 0.06 0.00 0.02 0.00 0.00 54.97 54.70 3dx9 s GLU 95 Cb -0.50 -1.33 0.89 0.00 0.10 0.00 0.00 34.13 33.29 3dx9 s GLU 95 CO 0.54 0.32 1.58 1.96 0.02 0.00 0.00 175.26 179.68 3dx9 h GLN 96 N 4.44 0.04 0.00 1.61 4.20 -1.93 0.24 115.11 123.70 3dx9 h GLN 96 Ca -0.44 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3dx9 h GLN 96 Cb 1.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3dx9 h GLN 96 CO 0.41 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 179.01 3dx9 n GLY 97 N -1.42 -0.70 0.05 3.46 0.00 -1.26 -1.68 105.19 103.64 3dx9 n GLY 97 Ca 0.26 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3dx9 n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dx9 n ASP 98 N -1.29 0.44 -4.67 1.61 8.00 0.84 -4.89 116.55 116.59 3dx9 n ASP 98 Ca 0.06 0.46 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 3dx9 n ASP 98 Cb 0.10 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 3dx9 n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3dx9 s SER 99 N -3.76 6.50 -0.12 -2.24 0.01 -0.68 -4.86 113.70 108.55 3dx9 s SER 99 Ca 0.12 2.58 -0.34 0.00 1.31 0.00 0.00 55.95 59.63 3dx9 s SER 99 Cb 0.16 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 64.00 3dx9 s SER 99 CO 0.58 -1.01 1.42 0.00 0.41 0.00 0.00 173.24 174.64 3dx9 s ALA 100 N 4.05 -2.44 -0.27 1.44 0.00 -0.28 -4.91 121.76 119.35 3dx9 s ALA 100 Ca 0.84 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.71 3dx9 s ALA 100 Cb -0.41 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3dx9 s ALA 100 CO 0.38 -0.98 0.50 1.41 0.00 0.00 0.00 175.76 177.08 3dx9 s MET 101 N -2.06 4.04 -0.35 0.00 -2.45 0.25 -0.85 119.30 117.88 3dx9 s MET 101 Ca 0.14 0.28 -0.14 0.00 -1.25 0.00 0.00 55.69 54.72 3dx9 s MET 101 Cb 0.06 -3.66 -0.01 0.00 1.25 0.00 0.00 34.83 32.47 3dx9 s MET 101 CO -0.06 -0.36 0.30 0.71 1.05 0.00 0.00 175.02 176.66 3dx9 s TYR 102 N 2.30 3.22 -0.12 4.11 2.02 -0.76 0.13 117.35 128.24 3dx9 s TYR 102 Ca 0.21 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3dx9 s TYR 102 Cb -0.16 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 3dx9 s TYR 102 CO 0.09 -0.43 0.06 -0.51 -1.57 0.00 0.00 175.55 173.19 3dx9 s LEU 103 N 1.85 3.87 -0.06 -1.29 1.43 0.16 -1.35 118.68 123.29 3dx9 s LEU 103 Ca 0.08 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3dx9 s LEU 103 Cb -0.17 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3dx9 s LEU 103 CO 0.11 0.33 -0.01 0.00 0.23 0.00 0.00 176.35 177.01 3dx9 s ALA 105 N -0.94 0.78 0.07 0.00 0.00 -0.49 -0.26 121.76 120.92 3dx9 s ALA 105 Ca 0.15 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3dx9 s ALA 105 Cb -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3dx9 s ALA 105 CO 0.05 -0.04 -0.06 -1.54 0.00 0.00 0.00 175.76 174.17 3dx9 s SER 106 N -1.97 0.94 -0.01 0.00 1.04 -0.64 0.25 113.70 113.32 3dx9 s SER 106 Ca -0.03 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 3dx9 s SER 106 Cb -0.06 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 3dx9 s SER 106 CO -0.00 -0.41 0.04 -0.60 0.98 0.00 0.00 173.24 173.25 3dx9 s ARG 107 N -3.18 0.19 0.06 4.02 3.52 -0.09 -1.27 118.95 122.20 3dx9 s ARG 107 Ca 0.05 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 3dx9 s ARG 107 Cb 0.01 0.08 -0.18 0.00 -1.56 0.00 0.00 34.95 33.30 3dx9 s ARG 107 CO -0.04 -0.03 1.57 -0.92 -0.81 0.00 0.00 175.30 175.07 3dx9 h TYR 108 N 5.42 -0.61 -4.42 5.12 3.20 -1.87 -1.95 116.97 121.86 3dx9 h TYR 108 Ca -0.27 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.38 3dx9 h TYR 108 Cb 1.21 0.20 -0.14 0.00 1.54 0.00 0.00 36.73 39.54 3dx9 h TYR 108 CO 0.50 -0.35 -0.56 1.03 -1.64 0.00 0.00 178.16 177.14 3dx9 s ARG 109 N -5.83 1.18 -1.19 1.82 1.81 -1.26 -1.61 118.95 113.87 3dx9 s ARG 109 Ca -0.16 -1.53 -0.21 0.00 -1.72 0.00 0.00 55.73 52.11 3dx9 s ARG 109 Cb 0.04 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 3dx9 s ARG 109 CO 0.61 -0.39 1.79 0.34 -0.68 0.00 0.00 175.30 176.97 3dx9 s ASP 110 N -3.11 5.99 -0.27 0.23 2.15 -1.26 -4.80 116.67 115.60 3dx9 s ASP 110 Ca 0.33 -1.88 -0.05 0.00 0.43 0.00 0.00 52.55 51.37 3dx9 s ASP 110 Cb 0.06 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.24 3dx9 s ASP 110 CO 0.09 -2.05 0.53 -0.62 -0.17 0.00 0.00 175.17 172.96 3dx9 s ASP 111 N 5.49 -0.76 0.61 -0.34 -1.08 -1.26 -5.04 116.67 114.28 3dx9 s ASP 111 Ca 0.60 1.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.93 3dx9 s ASP 111 Cb 0.01 1.83 1.69 0.00 -1.46 0.00 0.00 42.92 44.99 3dx9 s ASP 111 CO 0.07 -0.25 2.05 0.77 0.52 0.00 0.00 175.17 178.33 3dx9 h SER 112 N 8.07 0.00 -0.45 -0.34 4.64 -2.04 0.74 113.55 124.18 3dx9 h SER 112 Ca -0.19 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3dx9 h SER 112 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3dx9 h SER 112 CO 0.18 0.00 -0.13 0.22 -0.87 0.00 0.00 176.83 176.23 3dx9 h TYR 113 N 0.00 1.03 -3.30 4.77 5.03 -1.96 -3.43 116.97 119.11 3dx9 h TYR 113 Ca 0.09 -0.21 -0.56 0.00 2.58 0.00 0.00 58.73 60.63 3dx9 h TYR 113 Cb 0.61 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 38.59 3dx9 h TYR 113 CO 0.00 0.99 0.49 -0.80 -1.32 0.00 0.00 178.16 177.52 3dx9 s ASN 114 N -6.68 7.25 0.40 -2.11 0.02 0.25 -5.04 114.94 109.03 3dx9 s ASN 114 Ca -0.11 1.53 -0.05 0.00 -1.02 0.00 0.00 52.86 53.21 3dx9 s ASN 114 Cb 0.13 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.81 3dx9 s ASN 114 CO 0.85 -0.39 0.69 -1.83 0.02 0.00 0.00 177.10 176.44 3dx9 s GLU 115 N 1.73 3.61 0.13 -0.60 1.03 -1.26 -4.83 118.70 118.50 3dx9 s GLU 115 Ca 0.48 0.13 -0.31 0.00 0.03 0.00 0.00 54.97 55.30 3dx9 s GLU 115 Cb -0.19 -2.49 -0.08 0.00 -0.80 0.00 0.00 34.13 30.58 3dx9 s GLU 115 CO 0.20 -0.01 1.30 -0.65 -1.33 0.00 0.00 175.26 174.77 3dx9 s GLN 116 N -4.19 4.38 -0.19 -4.83 -0.21 -1.26 -4.56 119.66 108.79 3dx9 s GLN 116 Ca 0.46 1.98 -0.06 0.00 0.02 0.00 0.00 55.36 57.76 3dx9 s GLN 116 Cb -0.10 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 3dx9 s GLN 116 CO 0.37 -0.31 0.03 -0.06 -2.12 0.00 0.00 175.29 173.20 3dx9 s PHE 117 N 0.70 3.14 0.05 0.91 0.08 -0.39 -4.95 117.98 117.52 3dx9 s PHE 117 Ca 0.60 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 57.41 3dx9 s PHE 117 Cb -0.35 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.97 3dx9 s PHE 117 CO 0.33 -0.03 0.33 -0.06 -0.10 0.00 0.00 175.22 175.69 3dx9 s PHE 118 N 0.67 3.57 1.02 0.36 0.40 -1.26 -1.62 117.98 121.12 3dx9 s PHE 118 Ca 0.02 0.65 -0.17 0.00 -0.60 0.00 0.00 56.93 56.83 3dx9 s PHE 118 Cb -0.14 -2.06 0.23 0.00 0.51 0.00 0.00 43.02 41.57 3dx9 s PHE 118 CO 0.02 0.56 1.32 0.20 0.70 0.00 0.00 175.22 178.02 3dx9 s GLY 119 N -1.80 1.79 0.00 4.36 0.00 0.64 -4.57 107.32 107.74 3dx9 s GLY 119 Ca 0.31 -1.28 0.29 0.00 0.00 0.00 0.00 44.72 44.04 3dx9 s GLY 119 CO 0.18 -0.44 1.87 -1.55 0.00 0.00 0.00 173.10 173.16 3dx9 n PRO 120 N -3.98 1.03 0.00 2.90 -0.05 -1.26 -4.74 135.00 128.90 3dx9 n PRO 120 Ca 0.16 -0.41 0.00 0.00 -0.05 0.00 0.00 63.50 63.21 3dx9 n PRO 120 Cb 0.59 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.55 3dx9 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3dx9 n GLY 121 N 1.20 -1.02 2.95 0.55 0.00 -1.26 -4.94 105.19 102.67 3dx9 n GLY 121 Ca 0.17 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 3dx9 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dx9 s THR 122 N -2.87 1.77 -0.72 2.61 2.01 -0.46 -4.57 115.64 113.41 3dx9 s THR 122 Ca 0.00 -1.70 -0.26 0.00 0.31 0.00 0.00 61.69 60.04 3dx9 s THR 122 Cb 0.00 -2.15 0.04 0.00 0.01 0.00 0.00 72.50 70.40 3dx9 s THR 122 CO 0.00 -0.36 1.22 -0.60 -0.69 0.00 0.00 174.62 174.19 3dx9 s ARG 123 N 1.22 3.18 -0.05 4.92 6.06 -0.54 -1.83 118.95 131.89 3dx9 s ARG 123 Ca 0.02 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.73 52.64 3dx9 s ARG 123 Cb -0.19 -4.19 -0.03 0.00 0.06 0.00 0.00 34.95 30.59 3dx9 s ARG 123 CO -0.10 -2.09 0.77 -1.17 -2.50 0.00 0.00 175.30 170.21 3dx9 s LEU 124 N 5.41 4.33 -0.11 -0.88 2.96 -0.03 -2.15 118.68 128.21 3dx9 s LEU 124 Ca 0.32 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 3dx9 s LEU 124 Cb -0.10 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.40 3dx9 s LEU 124 CO 0.14 -0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.93 3dx9 s THR 125 N 0.86 1.79 -0.07 3.68 2.01 -0.75 -1.12 115.64 122.04 3dx9 s THR 125 Ca 0.41 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.60 3dx9 s THR 125 Cb -0.18 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3dx9 s THR 125 CO 0.20 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.79 3dx9 s VAL 126 N 0.68 2.99 0.03 3.82 1.01 -1.26 -1.83 120.40 125.84 3dx9 s VAL 126 Ca -0.12 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3dx9 s VAL 126 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3dx9 s VAL 126 CO 0.03 0.57 -0.14 -0.76 0.00 0.00 0.00 175.10 174.80 3dx9 s LEU 127 N -0.44 2.16 0.28 3.92 1.43 -0.28 -4.56 118.68 121.20 3dx9 s LEU 127 Ca 0.05 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3dx9 s LEU 127 Cb -0.12 -0.60 0.56 0.00 0.03 0.00 0.00 46.19 46.06 3dx9 s LEU 127 CO 0.02 0.04 1.82 -0.33 0.23 0.00 0.00 176.35 178.13 3dx9 h GLU 128 N 5.01 0.89 -2.01 1.70 3.07 -1.96 -2.62 114.58 118.67 3dx9 h GLU 128 Ca -0.37 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 58.54 3dx9 h GLU 128 Cb 1.18 -0.20 -0.18 0.00 -0.84 0.00 0.00 28.75 28.71 3dx9 h GLU 128 CO 0.44 0.59 0.52 0.16 -1.40 0.00 0.00 179.01 179.33 3dx9 s ASP 129 N -5.63 -0.36 0.00 1.42 -4.77 -1.26 -4.76 116.67 101.32 3dx9 s ASP 129 Ca -0.12 0.14 0.27 0.00 -3.30 0.00 0.00 52.55 49.53 3dx9 s ASP 129 Cb 0.22 0.35 1.15 0.00 -1.09 0.00 0.00 42.92 43.55 3dx9 s ASP 129 CO 0.80 -0.51 1.86 0.18 0.70 0.00 0.00 175.17 178.20 3dx9 n LEU 130 N 0.08 0.00 0.00 2.11 4.77 -1.26 -2.81 117.00 119.89 3dx9 n LEU 130 Ca -0.09 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 3dx9 n LEU 130 Cb 0.60 -0.48 0.27 0.00 -2.33 0.00 0.00 43.42 41.48 3dx9 n LEU 130 CO 0.12 -0.04 0.63 2.29 -1.33 0.00 0.00 177.39 179.06 3dx9 n LYS 131 N -1.48 0.13 0.00 3.23 2.85 -1.26 -1.92 118.16 119.71 3dx9 n LYS 131 Ca 0.07 0.20 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 3dx9 n LYS 131 Cb 0.30 -1.50 0.44 0.00 -0.65 0.00 0.00 35.03 33.62 3dx9 n LYS 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dx9 n ASN 132 N -1.32 0.49 -4.60 -5.58 3.02 -1.12 -4.82 115.26 101.33 3dx9 n ASN 132 Ca 0.05 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 3dx9 n ASN 132 Cb 0.09 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3dx9 n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dx9 s VAL 133 N -2.77 4.79 0.04 2.41 1.01 -0.81 -4.69 120.40 120.38 3dx9 s VAL 133 Ca 0.19 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.21 3dx9 s VAL 133 Cb 0.19 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dx9 s VAL 133 CO 0.58 -0.33 -0.22 -0.36 0.00 0.00 0.00 175.10 174.76 3dx9 s PHE 134 N 2.97 1.96 0.74 5.22 0.08 -0.61 -4.71 117.98 123.62 3dx9 s PHE 134 Ca 0.30 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 3dx9 s PHE 134 Cb -0.14 -1.17 0.05 0.00 -0.57 0.00 0.00 43.02 41.19 3dx9 s PHE 134 CO 0.15 0.09 1.10 -1.25 -0.10 0.00 0.00 175.22 175.21 3dx9 s PRO 135 N -1.16 2.40 0.44 0.24 0.04 -1.26 -0.48 135.00 135.22 3dx9 s PRO 135 Ca 0.09 0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.06 3dx9 s PRO 135 Cb -0.09 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3dx9 s PRO 135 CO 0.02 -1.26 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 3dx9 s PRO 136 N -5.39 3.92 0.05 0.56 0.04 -1.26 -4.29 135.00 128.62 3dx9 s PRO 136 Ca 0.60 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 3dx9 s PRO 136 Cb -0.11 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 3dx9 s PRO 136 CO 0.49 -0.37 0.32 -1.21 0.04 0.00 0.00 177.00 176.26 3dx9 s GLU 137 N -2.71 3.63 -0.05 4.56 2.02 1.56 -4.88 118.70 122.83 3dx9 s GLU 137 Ca 0.62 -0.03 0.02 0.00 0.02 0.00 0.00 54.97 55.59 3dx9 s GLU 137 Cb -0.24 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 30.99 3dx9 s GLU 137 CO 0.29 0.60 -0.08 0.08 0.02 0.00 0.00 175.26 176.17 3dx9 s VAL 138 N -1.39 0.78 0.02 2.63 1.01 -1.26 -0.89 120.40 121.30 3dx9 s VAL 138 Ca 0.31 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3dx9 s VAL 138 Cb -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3dx9 s VAL 138 CO 0.19 0.28 -0.17 0.00 0.00 0.00 0.00 175.10 175.39 3dx9 s ALA 139 N 0.77 1.47 -0.15 5.51 0.00 -0.92 -4.50 121.76 123.94 3dx9 s ALA 139 Ca -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3dx9 s ALA 139 Cb -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3dx9 s ALA 139 CO 0.02 0.33 -0.01 0.54 0.00 0.00 0.00 175.76 176.63 3dx9 s VAL 140 N -0.68 4.15 -0.19 0.00 0.11 -1.26 -1.25 120.40 121.28 3dx9 s VAL 140 Ca 0.05 -0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 3dx9 s VAL 140 Cb -0.08 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 3dx9 s VAL 140 CO 0.01 0.51 0.02 -0.36 -3.33 0.00 0.00 175.10 171.95 3dx9 s PHE 141 N 0.11 3.11 0.39 1.54 0.08 0.40 -4.97 117.98 118.64 3dx9 s PHE 141 Ca 0.01 -0.22 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 3dx9 s PHE 141 Cb -0.13 -2.06 -0.10 0.00 -0.57 0.00 0.00 43.02 40.15 3dx9 s PHE 141 CO 0.02 -0.05 0.98 -1.21 -0.10 0.00 0.00 175.22 174.85 3dx9 s GLU 142 N 0.67 4.31 0.50 0.44 2.02 -1.26 -1.92 118.70 123.46 3dx9 s GLU 142 Ca 0.01 1.31 -0.22 0.00 0.02 0.00 0.00 54.97 56.08 3dx9 s GLU 142 Cb -0.14 -2.48 -0.06 0.00 0.10 0.00 0.00 34.13 31.55 3dx9 s GLU 142 CO 0.02 0.03 1.27 -2.14 0.02 0.00 0.00 175.26 174.45 3dx9 s PRO 143 N -2.61 3.47 0.34 0.39 0.02 -1.25 -4.92 135.00 130.43 3dx9 s PRO 143 Ca 0.57 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 3dx9 s PRO 143 Cb -0.16 -2.35 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 3dx9 s PRO 143 CO 0.21 -0.86 1.28 0.45 -0.33 0.00 0.00 177.00 177.75 3dx9 s SER 144 N -1.13 6.74 0.27 2.53 0.15 -1.26 -4.96 113.70 116.04 3dx9 s SER 144 Ca 0.67 2.63 -0.01 0.00 0.70 0.00 0.00 55.95 59.93 3dx9 s SER 144 Cb -0.35 -2.64 0.38 0.00 -1.71 0.00 0.00 66.02 61.70 3dx9 s SER 144 CO 0.42 -0.55 1.80 -0.33 1.20 0.00 0.00 173.24 175.78 3dx9 h GLU 145 N 3.28 0.81 -0.72 5.44 4.39 -1.99 -2.61 114.58 123.18 3dx9 h GLU 145 Ca -0.49 -0.18 0.12 0.00 0.34 0.00 0.00 59.36 59.14 3dx9 h GLU 145 Cb 1.23 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.68 3dx9 h GLU 145 CO 0.65 0.76 0.32 0.00 -1.16 0.00 0.00 179.01 179.58 3dx9 h ALA 146 N 1.31 1.00 -0.23 3.43 0.00 -1.99 0.09 119.26 122.87 3dx9 h ALA 146 Ca 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dx9 h ALA 146 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dx9 h ALA 146 CO 0.01 -0.14 0.08 1.49 0.00 0.00 0.00 179.25 180.69 3dx9 h GLU 147 N 0.51 0.35 -0.85 0.00 4.81 -1.82 -2.46 114.58 115.12 3dx9 h GLU 147 Ca 0.37 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3dx9 h GLU 147 Cb 0.49 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3dx9 h GLU 147 CO -0.33 0.43 0.51 0.82 -0.73 0.00 0.00 179.01 179.70 3dx9 h ILE 148 N 0.21 1.24 0.00 2.32 2.04 -0.93 -0.99 117.51 121.39 3dx9 h ILE 148 Ca 0.08 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3dx9 h ILE 148 Cb 0.21 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3dx9 h ILE 148 CO -0.00 0.25 0.00 0.77 0.00 0.00 0.00 178.15 179.17 3dx9 h SER 149 N 1.17 0.00 0.13 1.72 4.64 -1.01 -1.66 113.55 118.54 3dx9 h SER 149 Ca 0.31 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.26 3dx9 h SER 149 Cb -0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3dx9 h SER 149 CO -0.06 0.00 -2.10 1.57 -0.87 0.00 0.00 176.83 175.38 3dx9 n HIS 150 N -2.49 0.91 -0.05 4.77 -0.00 -0.81 -4.66 115.22 112.90 3dx9 n HIS 150 Ca 0.05 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 3dx9 n HIS 150 Cb 0.46 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 3dx9 n HIS 150 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3dx9 n THR 151 N -3.37 0.00 -3.35 3.57 -2.24 -0.44 -5.00 114.28 103.45 3dx9 n THR 151 Ca -0.34 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 60.78 3dx9 n THR 151 Cb 1.04 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 70.30 3dx9 n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dx9 n GLN 152 N -0.54 -2.87 -4.34 -0.78 1.13 -0.62 -4.96 117.38 104.39 3dx9 n GLN 152 Ca 0.00 0.36 -0.18 0.00 -1.94 0.00 0.00 57.00 55.24 3dx9 n GLN 152 Cb 0.01 -5.01 -0.10 0.00 0.11 0.00 0.00 30.24 25.25 3dx9 n GLN 152 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dx9 s LYS 153 N -5.98 1.33 -0.10 -1.09 1.02 -1.26 -1.12 119.74 112.53 3dx9 s LYS 153 Ca 0.38 -1.60 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 3dx9 s LYS 153 Cb -0.21 -1.07 0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3dx9 s LYS 153 CO 0.47 0.16 0.04 0.00 -0.92 0.00 0.00 175.35 175.10 3dx9 s ALA 154 N -3.01 0.56 -0.32 5.17 0.00 0.23 -3.59 121.76 120.79 3dx9 s ALA 154 Ca 0.23 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 3dx9 s ALA 154 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3dx9 s ALA 154 CO 0.07 -0.73 0.21 0.99 0.00 0.00 0.00 175.76 176.30 3dx9 s THR 155 N 2.05 5.20 0.20 0.00 2.01 -1.26 -0.96 115.64 122.87 3dx9 s THR 155 Ca 0.03 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 3dx9 s THR 155 Cb -0.14 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 3dx9 s THR 155 CO -0.06 0.08 0.64 -0.76 -0.69 0.00 0.00 174.62 173.83 3dx9 s LEU 156 N 1.72 4.31 -0.05 4.42 1.02 0.15 -3.80 118.68 126.45 3dx9 s LEU 156 Ca 0.06 1.24 0.06 0.00 0.02 0.00 0.00 54.13 55.52 3dx9 s LEU 156 Cb -0.17 -3.49 -0.01 0.00 0.02 0.00 0.00 46.19 42.54 3dx9 s LEU 156 CO 0.10 0.04 -0.24 -0.69 0.02 0.00 0.00 176.35 175.58 3dx9 s VAL 157 N -1.54 2.13 -0.13 -1.59 1.01 -0.81 -0.84 120.40 118.64 3dx9 s VAL 157 Ca 0.42 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3dx9 s VAL 157 Cb -0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3dx9 s VAL 157 CO 0.20 0.57 -0.02 0.00 0.00 0.00 0.00 175.10 175.85 3dx9 s LEU 159 N -0.13 2.25 -0.25 0.00 1.43 -0.38 -1.02 118.68 120.59 3dx9 s LEU 159 Ca 0.03 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3dx9 s LEU 159 Cb -0.13 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3dx9 s LEU 159 CO 0.02 -0.00 0.20 0.00 0.23 0.00 0.00 176.35 176.80 3dx9 s ALA 160 N 1.32 3.58 0.19 4.21 0.00 0.14 -2.18 121.76 129.02 3dx9 s ALA 160 Ca 0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3dx9 s ALA 160 Cb -0.13 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 3dx9 s ALA 160 CO -0.12 -0.34 0.32 0.95 0.00 0.00 0.00 175.76 176.57 3dx9 s THR 161 N 1.36 0.04 -0.37 0.00 -4.23 -0.07 -0.51 115.64 111.85 3dx9 s THR 161 Ca 0.09 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3dx9 s THR 161 Cb -0.14 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.79 3dx9 s THR 161 CO 0.07 -0.18 0.12 -0.83 -0.54 0.00 0.00 174.62 173.26 3dx9 s GLY 162 N -3.00 1.94 0.32 3.99 0.00 -1.26 0.45 107.32 109.75 3dx9 s GLY 162 Ca 0.21 -2.43 0.08 0.00 0.00 0.00 0.00 44.72 42.57 3dx9 s GLY 162 CO 0.04 0.95 0.25 -0.11 0.00 0.00 0.00 173.10 174.23 3dx9 s PHE 163 N 1.07 2.91 -0.29 1.90 -0.71 -0.90 -4.66 117.98 117.32 3dx9 s PHE 163 Ca 0.07 -0.27 -0.17 0.00 -1.04 0.00 0.00 56.93 55.52 3dx9 s PHE 163 Cb -0.21 -1.68 0.13 0.00 -1.21 0.00 0.00 43.02 40.05 3dx9 s PHE 163 CO -0.05 0.28 0.91 -0.47 -1.34 0.00 0.00 175.22 174.55 3dx9 s TYR 164 N -2.29 -0.68 0.31 3.49 6.14 0.37 -0.94 117.35 123.75 3dx9 s TYR 164 Ca 0.39 1.39 -0.05 0.00 0.64 0.00 0.00 57.07 59.43 3dx9 s TYR 164 Cb -0.06 0.41 0.07 0.00 0.42 0.00 0.00 41.96 42.81 3dx9 s TYR 164 CO 0.26 -0.34 0.31 -2.30 0.64 0.00 0.00 175.55 174.12 3dx9 n PRO 165 N 3.69 -1.20 -2.93 4.97 -0.02 -1.26 -1.57 135.00 136.68 3dx9 n PRO 165 Ca -0.18 -0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 60.38 3dx9 n PRO 165 Cb 0.58 -0.41 0.01 0.00 -0.02 0.00 0.00 33.50 33.65 3dx9 n PRO 165 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dx9 n ASP 166 N -3.41 6.26 -4.00 2.55 5.75 -1.26 -4.79 116.55 117.65 3dx9 n ASP 166 Ca 0.04 -3.37 -0.32 0.00 -0.01 0.00 0.00 54.79 51.13 3dx9 n ASP 166 Cb 0.16 -1.30 -0.12 0.00 -1.03 0.00 0.00 41.12 38.83 3dx9 n ASP 166 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3dx9 s HIS 167 N -2.38 3.36 0.12 2.11 2.46 -1.26 -5.08 115.29 114.62 3dx9 s HIS 167 Ca 0.32 -3.06 0.08 0.00 0.47 0.00 0.00 55.06 52.87 3dx9 s HIS 167 Cb 0.05 -2.95 -0.04 0.00 -0.13 0.00 0.00 32.58 29.52 3dx9 s HIS 167 CO 0.09 -0.74 -0.19 0.14 -2.47 0.00 0.00 174.74 171.57 3dx9 s VAL 168 N -0.51 1.69 -0.19 0.89 -7.23 -1.26 -1.87 120.40 111.93 3dx9 s VAL 168 Ca 0.19 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3dx9 s VAL 168 Cb -0.19 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.18 3dx9 s VAL 168 CO -0.05 -0.17 0.02 -1.61 -0.31 0.00 0.00 175.10 172.98 3dx9 s GLU 169 N -2.24 0.81 0.00 4.82 2.02 -0.09 -4.94 118.70 119.10 3dx9 s GLU 169 Ca 0.09 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 54.47 3dx9 s GLU 169 Cb -0.08 -2.08 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 3dx9 s GLU 169 CO 0.05 -0.60 0.44 -1.17 0.02 0.00 0.00 175.26 174.00 3dx9 s LEU 170 N 1.80 4.47 -0.13 1.80 0.20 -1.26 -1.05 118.68 124.51 3dx9 s LEU 170 Ca -0.01 1.01 -0.14 0.00 0.69 0.00 0.00 54.13 55.68 3dx9 s LEU 170 Cb -0.17 -2.65 0.04 0.00 -0.43 0.00 0.00 46.19 42.98 3dx9 s LEU 170 CO -0.08 0.29 0.38 -0.94 -0.29 0.00 0.00 176.35 175.72 3dx9 s SER 171 N -0.95 -0.39 -0.13 3.68 1.04 0.01 -5.00 113.70 111.96 3dx9 s SER 171 Ca 0.25 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 3dx9 s SER 171 Cb -0.17 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3dx9 s SER 171 CO 0.14 -0.16 0.22 0.26 0.98 0.00 0.00 173.24 174.68 3dx9 s TRP 172 N 0.08 3.54 -0.13 5.02 0.52 -1.26 -0.77 118.94 125.94 3dx9 s TRP 172 Ca -0.01 0.58 0.02 0.00 0.02 0.00 0.00 56.10 56.71 3dx9 s TRP 172 Cb -0.03 -2.15 0.01 0.00 -1.15 0.00 0.00 33.47 30.16 3dx9 s TRP 172 CO 0.01 0.50 -0.19 -1.58 0.02 0.00 0.00 176.95 175.70 3dx9 s TRP 173 N -0.35 2.40 -0.16 -1.98 0.52 -0.26 -1.27 118.94 117.85 3dx9 s TRP 173 Ca 0.15 -1.21 -0.01 0.00 0.02 0.00 0.00 56.10 55.05 3dx9 s TRP 173 Cb -0.13 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 3dx9 s TRP 173 CO 0.04 -0.58 -0.12 0.08 0.02 0.00 0.00 176.95 176.39 3dx9 s VAL 174 N 0.94 2.92 -1.71 4.03 1.01 -0.66 -1.22 120.40 125.72 3dx9 s VAL 174 Ca -0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 3dx9 s VAL 174 Cb -0.15 -2.26 0.16 0.00 0.00 0.00 0.00 36.38 34.13 3dx9 s VAL 174 CO -0.03 0.50 0.72 0.59 0.00 0.00 0.00 175.10 176.88 3dx9 n ASN 175 N 4.11 -2.84 -0.27 3.32 3.02 -0.67 -2.76 115.26 119.18 3dx9 n ASN 175 Ca -0.19 -1.05 -0.01 0.00 -0.03 0.00 0.00 54.58 53.30 3dx9 n ASN 175 Cb 0.52 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 3dx9 n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dx9 n GLY 176 N -1.42 0.50 3.19 7.41 0.00 -1.26 -5.06 105.19 108.54 3dx9 n GLY 176 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3dx9 n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dx9 s LYS 177 N -4.35 0.34 0.27 1.61 2.36 -1.11 -5.13 119.74 113.73 3dx9 s LYS 177 Ca 0.01 0.57 -0.30 0.00 -2.55 0.00 0.00 55.97 53.70 3dx9 s LYS 177 Cb -0.00 0.04 -0.11 0.00 -1.05 0.00 0.00 37.83 36.71 3dx9 s LYS 177 CO 0.01 -0.11 1.53 -2.00 1.55 0.00 0.00 175.35 176.33 3dx9 s GLU 178 N 0.81 4.19 0.20 4.03 2.12 -1.26 -1.65 118.70 127.14 3dx9 s GLU 178 Ca -0.05 2.45 0.08 0.00 0.36 0.00 0.00 54.97 57.81 3dx9 s GLU 178 Cb -0.06 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 3dx9 s GLU 178 CO -0.06 -0.54 -0.01 0.14 -0.54 0.00 0.00 175.26 174.25 3dx9 s VAL 179 N 0.06 3.59 0.00 3.70 -7.23 -0.39 -4.90 120.40 115.22 3dx9 s VAL 179 Ca 0.62 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3dx9 s VAL 179 Cb -0.45 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.66 3dx9 s VAL 179 CO 0.45 -0.18 0.00 1.41 -0.31 0.00 0.00 175.10 176.47 3dx9 n HIS 180 N -0.32 0.00 -1.64 2.82 8.25 -1.26 -4.57 115.22 118.50 3dx9 n HIS 180 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 3dx9 n HIS 180 Cb 0.56 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.69 3dx9 n HIS 180 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dx9 n SER 181 N -1.99 1.51 0.00 0.41 2.88 -1.26 -2.81 113.62 112.36 3dx9 n SER 181 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3dx9 n SER 181 Cb 0.37 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3dx9 n SER 181 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dx9 n GLY 182 N 1.10 0.41 3.44 0.46 0.00 -1.26 -4.88 105.19 104.46 3dx9 n GLY 182 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3dx9 n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dx9 s VAL 183 N -1.96 2.71 -0.05 1.61 1.01 -1.12 0.25 120.40 122.85 3dx9 s VAL 183 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 3dx9 s VAL 183 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.30 3dx9 s VAL 183 CO 0.00 0.39 0.12 0.00 0.00 0.00 0.00 175.10 175.61 3dx9 s THR 185 N 0.75 0.92 0.23 0.00 2.01 -1.26 0.06 115.64 118.34 3dx9 s THR 185 Ca -0.06 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.64 3dx9 s THR 185 Cb -0.08 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 3dx9 s THR 185 CO -0.03 -0.11 1.53 -1.81 -0.69 0.00 0.00 174.62 173.50 3dx9 s ASP 186 N -1.24 6.56 0.15 3.53 1.01 -0.87 -4.92 116.67 120.88 3dx9 s ASP 186 Ca -0.02 2.72 -0.21 0.00 0.71 0.00 0.00 52.55 55.76 3dx9 s ASP 186 Cb -0.08 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.27 3dx9 s ASP 186 CO 0.01 -0.80 1.65 -0.65 0.21 0.00 0.00 175.17 175.59 3dx9 h PRO 187 N 5.65 -0.16 -6.39 8.23 0.11 -2.00 -3.42 132.00 134.02 3dx9 h PRO 187 Ca -0.45 0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.05 3dx9 h PRO 187 Cb 1.21 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3dx9 h PRO 187 CO 0.83 -0.11 -0.75 -0.65 -0.21 0.00 0.00 178.00 177.12 3dx9 s GLN 188 N -6.14 1.85 1.15 1.05 1.11 -1.26 -5.15 119.66 112.28 3dx9 s GLN 188 Ca -0.14 -1.50 -0.18 0.00 0.01 0.00 0.00 55.36 53.55 3dx9 s GLN 188 Cb 0.12 -1.97 0.26 0.00 -1.01 0.00 0.00 33.01 30.41 3dx9 s GLN 188 CO 0.69 0.39 1.11 -2.14 0.01 0.00 0.00 175.29 175.35 3dx9 s PRO 189 N -3.11 -0.83 0.12 2.91 0.02 -1.26 -4.93 135.00 127.92 3dx9 s PRO 189 Ca 0.26 0.03 0.08 0.00 0.02 0.00 0.00 61.00 61.40 3dx9 s PRO 189 Cb -0.07 -1.63 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 3dx9 s PRO 189 CO 0.14 -3.47 -0.20 -0.48 -0.33 0.00 0.00 177.00 172.66 3dx9 s LEU 190 N -6.81 2.33 0.08 -5.54 0.05 0.76 -4.90 118.68 104.66 3dx9 s LEU 190 Ca 0.70 -0.73 -0.30 0.00 0.05 0.00 0.00 54.13 53.84 3dx9 s LEU 190 Cb -0.11 -0.88 -0.06 0.00 -2.05 0.00 0.00 46.19 43.09 3dx9 s LEU 190 CO 0.56 0.04 1.09 -0.54 -0.55 0.00 0.00 176.35 176.95 3dx9 s LYS 191 N -2.13 4.54 0.17 1.48 1.02 -1.26 -0.62 119.74 122.94 3dx9 s LYS 191 Ca 0.09 1.63 0.04 0.00 0.02 0.00 0.00 55.97 57.75 3dx9 s LYS 191 Cb -0.09 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 3dx9 s LYS 191 CO 0.05 -0.06 1.40 0.93 -0.92 0.00 0.00 175.35 176.74 3dx9 h GLU 192 N 6.19 0.16 -2.30 1.68 5.08 -1.31 -3.40 114.58 120.68 3dx9 h GLU 192 Ca -0.42 -0.17 -0.55 0.00 -1.00 0.00 0.00 59.36 57.21 3dx9 h GLU 192 Cb 1.21 0.05 -0.37 0.00 0.50 0.00 0.00 28.75 30.15 3dx9 h GLU 192 CO 0.76 0.92 -0.92 -0.65 -1.00 0.00 0.00 179.01 178.12 3dx9 s GLN 193 N -3.21 0.84 0.00 2.33 -0.21 -1.26 -5.03 119.66 113.11 3dx9 s GLN 193 Ca -0.02 -1.87 0.30 0.00 0.02 0.00 0.00 55.36 53.78 3dx9 s GLN 193 Cb 0.10 -1.29 1.41 0.00 1.00 0.00 0.00 33.01 34.24 3dx9 s GLN 193 CO 0.82 -1.35 1.97 -0.35 -2.12 0.00 0.00 175.29 174.26 3dx9 n PRO 194 N 3.10 0.79 0.00 2.91 -0.04 -1.26 0.13 135.00 140.63 3dx9 n PRO 194 Ca 0.26 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3dx9 n PRO 194 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3dx9 n PRO 194 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx9 n ALA 195 N -0.93 0.00 -2.65 0.55 0.00 -1.26 -4.96 120.51 111.26 3dx9 n ALA 195 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 3dx9 n ALA 195 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3dx9 n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dx9 s LEU 196 N 0.00 2.32 0.03 0.00 1.02 0.12 -5.07 118.68 117.11 3dx9 s LEU 196 Ca 0.00 -0.68 -0.13 0.00 0.02 0.00 0.00 54.13 53.35 3dx9 s LEU 196 Cb 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 46.19 45.75 3dx9 s LEU 196 CO 0.00 -0.15 1.20 -1.13 0.02 0.00 0.00 176.35 176.28 3dx9 h ASN 197 N 4.05 -0.52 -0.07 2.29 -1.24 -1.93 -3.20 115.58 114.96 3dx9 h ASN 197 Ca -0.39 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.62 3dx9 h ASN 197 Cb 1.19 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 3dx9 h ASN 197 CO 0.45 -0.22 0.06 -0.90 -1.29 0.00 0.00 177.43 175.52 3dx9 n ASP 198 N -3.45 4.69 -4.70 1.15 5.68 -1.26 -4.93 116.55 113.73 3dx9 n ASP 198 Ca -0.04 -2.37 -0.43 0.00 -0.50 0.00 0.00 54.79 51.45 3dx9 n ASP 198 Cb 0.16 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.19 3dx9 n ASP 198 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3dx9 n SER 199 N 1.01 3.87 -4.84 -1.12 2.88 -1.21 -4.96 113.62 109.25 3dx9 n SER 199 Ca 0.04 1.05 -0.33 0.00 -1.33 0.00 0.00 58.87 58.30 3dx9 n SER 199 Cb 0.53 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 3dx9 n SER 199 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3dx9 s ARG 200 N 1.55 4.07 0.29 -1.46 0.52 -1.26 -4.88 118.95 117.78 3dx9 s ARG 200 Ca 0.78 0.81 0.07 0.00 -0.52 0.00 0.00 55.73 56.87 3dx9 s ARG 200 Cb -0.53 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 3dx9 s ARG 200 CO 0.35 0.10 0.26 0.71 0.02 0.00 0.00 175.30 176.74 3dx9 s TYR 201 N -2.04 3.07 0.02 -0.53 2.02 -0.12 -0.83 117.35 118.93 3dx9 s TYR 201 Ca 0.57 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 3dx9 s TYR 201 Cb -0.10 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 3dx9 s TYR 201 CO 0.16 0.36 -0.05 0.00 -1.57 0.00 0.00 175.55 174.45 3dx9 s ALA 202 N -2.18 0.37 -0.02 3.71 0.00 0.21 -2.11 121.76 121.73 3dx9 s ALA 202 Ca 0.37 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3dx9 s ALA 202 Cb -0.07 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3dx9 s ALA 202 CO 0.26 0.01 -0.05 -1.17 0.00 0.00 0.00 175.76 174.81 3dx9 s LEU 203 N -0.79 1.70 0.19 0.00 2.96 0.33 -0.17 118.68 122.89 3dx9 s LEU 203 Ca -0.05 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.86 3dx9 s LEU 203 Cb -0.06 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 3dx9 s LEU 203 CO -0.00 0.01 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.94 3dx9 s SER 204 N 0.33 3.88 0.03 3.68 1.04 -1.26 0.26 113.70 121.65 3dx9 s SER 204 Ca -0.04 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 3dx9 s SER 204 Cb -0.07 -0.51 -0.00 0.00 0.10 0.00 0.00 66.02 65.54 3dx9 s SER 204 CO -0.00 0.11 0.13 -0.55 0.98 0.00 0.00 173.24 173.91 3dx9 s SER 205 N -2.78 0.11 -0.03 7.02 0.15 -0.18 -2.06 113.70 115.92 3dx9 s SER 205 Ca 0.23 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.53 3dx9 s SER 205 Cb -0.08 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3dx9 s SER 205 CO 0.13 -0.49 -0.24 -0.13 1.20 0.00 0.00 173.24 173.70 3dx9 s ARG 206 N -2.34 2.08 -0.10 5.44 3.00 0.11 -0.06 118.95 127.08 3dx9 s ARG 206 Ca -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 55.73 54.82 3dx9 s ARG 206 Cb -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 34.95 32.99 3dx9 s ARG 206 CO -0.03 0.48 -0.16 -1.17 0.00 0.00 0.00 175.30 174.43 3dx9 s LEU 207 N -0.47 1.76 -0.12 2.53 0.20 -0.02 -1.32 118.68 121.25 3dx9 s LEU 207 Ca 0.06 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.48 3dx9 s LEU 207 Cb -0.10 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.58 3dx9 s LEU 207 CO 0.00 0.04 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.35 3dx9 s ARG 208 N 0.80 3.27 0.44 1.98 3.52 0.14 0.29 118.95 129.39 3dx9 s ARG 208 Ca -0.11 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3dx9 s ARG 208 Cb -0.16 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 3dx9 s ARG 208 CO 0.02 0.22 0.11 0.14 -0.81 0.00 0.00 175.30 174.98 3dx9 s VAL 209 N 0.31 0.64 0.57 7.11 -7.23 -0.14 -4.62 120.40 117.04 3dx9 s VAL 209 Ca -0.12 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.90 3dx9 s VAL 209 Cb -0.16 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3dx9 s VAL 209 CO 0.06 0.00 1.02 -0.94 -0.31 0.00 0.00 175.10 174.93 3dx9 s SER 210 N -3.67 6.27 0.10 4.85 1.04 -1.26 -0.60 113.70 120.42 3dx9 s SER 210 Ca 0.19 1.58 -0.27 0.00 0.48 0.00 0.00 55.95 57.94 3dx9 s SER 210 Cb 0.02 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 3dx9 s SER 210 CO 0.12 -0.84 1.67 0.00 0.98 0.00 0.00 173.24 175.18 3dx9 h ALA 211 N 0.39 -0.38 -0.82 5.32 0.00 -1.37 -2.24 119.26 120.17 3dx9 h ALA 211 Ca -0.46 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.48 3dx9 h ALA 211 Cb 1.19 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 3dx9 h ALA 211 CO 0.60 -0.74 0.53 1.79 0.00 0.00 0.00 179.25 181.44 3dx9 h THR 212 N -0.40 0.99 -0.48 0.00 1.35 -1.93 -0.62 112.91 111.82 3dx9 h THR 212 Ca 0.00 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.53 3dx9 h THR 212 Cb 0.38 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 3dx9 h THR 212 CO -0.04 0.15 0.12 0.15 -0.25 0.00 0.00 175.52 175.64 3dx9 h PHE 213 N 0.82 0.74 0.00 4.73 3.57 -1.82 -2.70 116.94 122.28 3dx9 h PHE 213 Ca 0.37 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 3dx9 h PHE 213 Cb 0.35 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3dx9 h PHE 213 CO -0.00 0.63 -0.64 2.35 -2.23 0.00 0.00 178.31 178.42 3dx9 h TRP 214 N 0.70 0.00 -0.23 0.41 2.91 -0.60 -3.27 115.95 115.87 3dx9 h TRP 214 Ca 0.16 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.18 3dx9 h TRP 214 Cb 0.26 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 3dx9 h TRP 214 CO 0.01 0.64 0.00 1.04 -1.03 0.00 0.00 178.44 179.10 3dx9 n GLN 215 N -3.51 1.91 -3.70 2.65 6.02 -0.47 -2.51 117.38 117.76 3dx9 n GLN 215 Ca -0.00 -0.99 -0.39 0.00 -0.01 0.00 0.00 57.00 55.62 3dx9 n GLN 215 Cb 0.70 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 30.40 3dx9 n GLN 215 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3dx9 s ASN 216 N -0.69 5.44 0.00 1.08 3.84 -1.21 -4.01 114.94 119.39 3dx9 s ASN 216 Ca 0.18 -1.15 0.10 0.00 0.21 0.00 0.00 52.86 52.20 3dx9 s ASN 216 Cb 0.11 -1.91 0.52 0.00 -0.55 0.00 0.00 41.25 39.42 3dx9 s ASN 216 CO 0.09 -0.36 1.19 -2.65 -2.79 0.00 0.00 177.10 172.58 3dx9 n PRO 217 N 4.86 0.16 0.00 0.43 -0.02 -1.25 -1.59 135.00 137.60 3dx9 n PRO 217 Ca -0.12 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3dx9 n PRO 217 Cb 0.45 -1.50 0.51 0.00 -0.02 0.00 0.00 33.50 32.94 3dx9 n PRO 217 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dx9 n ARG 218 N -1.25 0.36 -3.45 -0.52 1.85 -1.26 -4.38 116.66 108.01 3dx9 n ARG 218 Ca 0.05 -0.13 -0.36 0.00 -1.00 0.00 0.00 57.85 56.41 3dx9 n ARG 218 Cb 0.07 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.93 3dx9 n ARG 218 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3dx9 s ASN 219 N -2.73 6.78 -0.07 2.89 0.02 -0.62 -5.00 114.94 116.21 3dx9 s ASN 219 Ca 0.21 0.97 0.03 0.00 -1.02 0.00 0.00 52.86 53.05 3dx9 s ASN 219 Cb 0.19 -2.25 0.01 0.00 0.02 0.00 0.00 41.25 39.22 3dx9 s ASN 219 CO 0.55 0.17 -0.13 -2.28 0.02 0.00 0.00 177.10 175.43 3dx9 s HIS 220 N -1.36 1.55 -0.14 2.20 2.46 -1.26 -1.84 115.29 116.91 3dx9 s HIS 220 Ca 0.33 -0.57 0.02 0.00 0.47 0.00 0.00 55.06 55.31 3dx9 s HIS 220 Cb -0.15 -1.12 0.01 0.00 -0.13 0.00 0.00 32.58 31.19 3dx9 s HIS 220 CO 0.18 -0.28 -0.19 -0.06 -2.47 0.00 0.00 174.74 171.92 3dx9 s PHE 221 N 0.58 2.44 -0.04 3.88 0.08 0.17 -1.67 117.98 123.43 3dx9 s PHE 221 Ca -0.14 -1.25 0.05 0.00 0.12 0.00 0.00 56.93 55.71 3dx9 s PHE 221 Cb -0.16 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3dx9 s PHE 221 CO 0.04 -0.60 -0.19 0.50 -0.10 0.00 0.00 175.22 174.87 3dx9 s ARG 222 N 0.98 1.81 -0.22 0.44 3.52 -0.36 -0.00 118.95 125.12 3dx9 s ARG 222 Ca -0.05 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 3dx9 s ARG 222 Cb -0.15 -1.62 -0.02 0.00 -1.56 0.00 0.00 34.95 31.61 3dx9 s ARG 222 CO -0.04 0.32 -0.00 0.00 -0.81 0.00 0.00 175.30 174.77 3dx9 s GLN 224 N 1.38 3.28 -0.23 0.00 0.74 0.05 -1.44 119.66 123.44 3dx9 s GLN 224 Ca 0.05 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.74 3dx9 s GLN 224 Cb -0.15 -2.62 0.05 0.00 1.10 0.00 0.00 33.01 31.39 3dx9 s GLN 224 CO -0.00 0.10 -0.09 0.08 -0.55 0.00 0.00 175.29 174.82 3dx9 s VAL 225 N 0.63 1.78 0.00 1.34 1.01 0.00 -0.80 120.40 124.36 3dx9 s VAL 225 Ca -0.08 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 3dx9 s VAL 225 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3dx9 s VAL 225 CO 0.03 0.05 0.95 -1.58 0.00 0.00 0.00 175.10 174.54 3dx9 s GLN 226 N 1.30 4.56 -0.03 2.72 2.00 -0.21 -1.33 119.66 128.67 3dx9 s GLN 226 Ca -0.05 1.37 0.07 0.00 -2.00 0.00 0.00 55.36 54.75 3dx9 s GLN 226 Cb -0.18 -3.45 -0.02 0.00 0.80 0.00 0.00 33.01 30.16 3dx9 s GLN 226 CO -0.07 -0.01 -0.25 0.12 -0.50 0.00 0.00 175.29 174.58 3dx9 s PHE 227 N 0.89 2.33 -0.40 1.67 5.36 0.92 -0.91 117.98 127.84 3dx9 s PHE 227 Ca 0.50 -0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3dx9 s PHE 227 Cb -0.21 -1.51 0.09 0.00 -0.34 0.00 0.00 43.02 41.06 3dx9 s PHE 227 CO 0.27 -0.10 0.20 0.71 -1.46 0.00 0.00 175.22 174.84 3dx9 s TYR 228 N -0.45 3.46 0.00 10.12 2.02 -0.78 -1.82 117.35 129.90 3dx9 s TYR 228 Ca 0.05 -2.05 0.00 0.00 -0.37 0.00 0.00 57.07 54.70 3dx9 s TYR 228 Cb -0.11 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 3dx9 s TYR 228 CO 0.01 -0.92 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 3dx9 n GLY 229 N 4.71 4.90 3.82 0.71 0.00 -1.26 -4.78 105.19 113.30 3dx9 n GLY 229 Ca -0.06 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3dx9 n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx9 s LEU 230 N 0.00 2.77 0.31 0.99 1.43 -1.01 -4.50 118.68 118.67 3dx9 s LEU 230 Ca 0.00 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.39 3dx9 s LEU 230 Cb 0.00 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3dx9 s LEU 230 CO 0.00 -1.72 0.57 -0.55 0.23 0.00 0.00 176.35 174.88 3dx9 s SER 231 N -3.98 6.41 0.53 2.29 0.15 -1.26 -2.39 113.70 115.45 3dx9 s SER 231 Ca 0.60 0.69 0.34 0.00 0.70 0.00 0.00 55.95 58.28 3dx9 s SER 231 Cb -0.14 -2.13 1.50 0.00 -1.71 0.00 0.00 66.02 63.54 3dx9 s SER 231 CO 0.54 -0.24 1.83 -0.33 1.20 0.00 0.00 173.24 176.23 3dx9 h GLU 232 N 1.42 0.03 -0.01 5.44 4.39 -1.99 -1.35 114.58 122.51 3dx9 h GLU 232 Ca -0.48 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dx9 h GLU 232 Cb 1.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3dx9 h GLU 232 CO 0.65 0.02 0.00 -1.71 -1.16 0.00 0.00 179.01 176.81 3dx9 n ASN 233 N -4.24 1.06 -4.76 1.42 4.05 -1.26 -4.89 115.26 106.63 3dx9 n ASN 233 Ca 0.24 -1.36 -0.40 0.00 0.45 0.00 0.00 54.58 53.51 3dx9 n ASN 233 Cb 1.14 -0.00 -0.06 0.00 1.23 0.00 0.00 39.78 42.09 3dx9 n ASN 233 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3dx9 s ASP 234 N -1.99 7.38 0.07 1.20 1.01 -0.51 -5.00 116.67 118.82 3dx9 s ASP 234 Ca 0.41 1.63 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 3dx9 s ASP 234 Cb 0.21 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 3dx9 s ASP 234 CO 0.34 0.15 1.90 -0.70 0.21 0.00 0.00 175.17 177.07 3dx9 s GLU 235 N -0.83 4.14 -0.02 8.23 2.56 -1.26 -4.97 118.70 126.55 3dx9 s GLU 235 Ca 0.37 2.59 0.03 0.00 0.00 0.00 0.00 54.97 57.96 3dx9 s GLU 235 Cb -0.23 -3.91 -0.00 0.00 2.00 0.00 0.00 34.13 31.99 3dx9 s GLU 235 CO 0.26 -0.90 -0.10 -0.46 -0.56 0.00 0.00 175.26 173.49 3dx9 s TRP 236 N 3.70 1.00 -0.01 5.30 -0.11 -1.26 -5.03 118.94 122.53 3dx9 s TRP 236 Ca 0.85 -0.22 -0.00 0.00 1.22 0.00 0.00 56.10 57.95 3dx9 s TRP 236 Cb -0.44 -0.67 -0.00 0.00 -1.50 0.00 0.00 33.47 30.86 3dx9 s TRP 236 CO 0.39 -0.05 -0.01 -2.37 -4.62 0.00 0.00 176.95 170.28 3dx9 n THR 237 N 3.01 0.05 -1.01 5.86 5.66 -1.26 -5.09 114.28 121.50 3dx9 n THR 237 Ca -0.16 -0.02 -0.29 0.00 -3.05 0.00 0.00 64.05 60.53 3dx9 n THR 237 Cb 0.55 -1.11 0.23 0.00 -1.55 0.00 0.00 70.33 68.44 3dx9 n THR 237 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dx9 s GLN 238 N -2.02 -0.85 -0.01 1.09 -0.21 -1.26 -4.98 119.66 111.42 3dx9 s GLN 238 Ca -0.01 0.20 -0.25 0.00 0.02 0.00 0.00 55.36 55.32 3dx9 s GLN 238 Cb 0.00 -1.62 -0.18 0.00 1.00 0.00 0.00 33.01 32.21 3dx9 s GLN 238 CO 0.02 -3.52 1.22 -0.44 -2.12 0.00 0.00 175.29 170.45 3dx9 h ASP 239 N -2.45 -0.11 -4.26 5.90 3.32 -2.05 -3.47 116.42 113.30 3dx9 h ASP 239 Ca -0.50 -0.37 -0.52 0.00 0.02 0.00 0.00 57.03 55.67 3dx9 h ASP 239 Cb 1.31 0.03 0.18 0.00 0.22 0.00 0.00 39.33 41.08 3dx9 h ASP 239 CO 0.43 0.33 0.27 0.00 -1.72 0.00 0.00 179.24 178.54 3dx9 s ARG 240 N -4.32 1.33 0.21 3.56 1.70 -1.26 -4.85 118.95 115.31 3dx9 s ARG 240 Ca -0.15 1.56 -0.32 0.00 -0.47 0.00 0.00 55.73 56.35 3dx9 s ARG 240 Cb 0.02 -1.76 -0.13 0.00 -0.57 0.00 0.00 34.95 32.50 3dx9 s ARG 240 CO 0.61 -2.41 1.50 0.00 -1.08 0.00 0.00 175.30 173.93 3dx9 n ALA 241 N -3.90 1.38 -1.70 7.88 0.00 -1.26 -4.84 120.51 118.07 3dx9 n ALA 241 Ca 0.12 0.42 -0.57 0.00 0.00 0.00 0.00 53.44 53.41 3dx9 n ALA 241 Cb 0.52 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 3dx9 n ALA 241 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3dx9 n LYS 242 N 2.67 1.17 -1.15 0.00 4.81 -1.26 -4.79 118.16 119.61 3dx9 n LYS 242 Ca 0.14 0.43 -0.34 0.00 -0.87 0.00 0.00 58.31 57.67 3dx9 n LYS 242 Cb 0.31 -2.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.22 3dx9 n LYS 242 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3dx9 n PRO 243 N 5.12 3.09 -1.19 1.64 -0.04 -1.26 -4.93 135.00 137.43 3dx9 n PRO 243 Ca 0.26 -1.98 -0.29 0.00 -0.04 0.00 0.00 63.50 61.45 3dx9 n PRO 243 Cb 0.14 -2.72 0.17 0.00 -0.04 0.00 0.00 33.50 31.05 3dx9 n PRO 243 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dx9 s VAL 244 N 2.69 2.13 0.12 0.52 -7.23 -1.26 -2.41 120.40 114.96 3dx9 s VAL 244 Ca 0.59 0.04 -0.31 0.00 -1.81 0.00 0.00 61.98 60.49 3dx9 s VAL 244 Cb 0.15 -2.55 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 3dx9 s VAL 244 CO -0.05 -0.06 1.79 -0.89 -0.31 0.00 0.00 175.10 175.58 3dx9 s THR 245 N -2.98 2.61 0.24 5.32 2.01 -1.00 -4.34 115.64 117.51 3dx9 s THR 245 Ca 0.65 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 3dx9 s THR 245 Cb -0.18 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.27 3dx9 s THR 245 CO 0.57 0.00 0.78 0.00 -0.69 0.00 0.00 174.62 175.28 3dx9 s GLN 246 N 2.64 1.63 -0.18 4.92 -2.07 -0.75 -4.90 119.66 120.95 3dx9 s GLN 246 Ca 0.79 -0.89 -0.01 0.00 -1.82 0.00 0.00 55.36 53.43 3dx9 s GLN 246 Cb -0.45 0.56 -0.00 0.00 -1.09 0.00 0.00 33.01 32.03 3dx9 s GLN 246 CO 0.35 -0.74 -0.12 0.42 -1.32 0.00 0.00 175.29 173.88 3dx9 s ILE 247 N -3.76 2.88 -0.11 3.63 1.01 -1.26 -0.06 121.20 123.54 3dx9 s ILE 247 Ca 0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 3dx9 s ILE 247 Cb -0.05 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3dx9 s ILE 247 CO 0.05 0.49 0.06 -0.69 0.00 0.00 0.00 174.94 174.85 3dx9 s VAL 248 N 1.09 4.82 0.08 2.92 1.01 -0.44 -4.93 120.40 124.95 3dx9 s VAL 248 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3dx9 s VAL 248 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3dx9 s VAL 248 CO -0.03 0.60 -0.12 -0.44 0.00 0.00 0.00 175.10 175.11 3dx9 s SER 249 N -0.85 1.51 -0.01 3.32 0.01 -1.26 -0.82 113.70 115.60 3dx9 s SER 249 Ca 0.13 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3dx9 s SER 249 Cb -0.12 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.10 3dx9 s SER 249 CO 0.03 -0.17 -0.03 0.00 0.41 0.00 0.00 173.24 173.48 3dx9 s ALA 250 N -1.81 0.34 0.31 1.44 0.00 -0.52 -4.84 121.76 116.68 3dx9 s ALA 250 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 51.96 51.99 3dx9 s ALA 250 Cb -0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 3dx9 s ALA 250 CO 0.01 0.04 -0.14 -1.21 0.00 0.00 0.00 175.76 174.47 3dx9 s GLU 251 N 0.21 1.78 -0.27 0.00 2.02 -1.26 -0.21 118.70 120.97 3dx9 s GLU 251 Ca -0.02 -1.82 -0.23 0.00 0.02 0.00 0.00 54.97 52.91 3dx9 s GLU 251 Cb -0.05 -1.77 0.08 0.00 0.10 0.00 0.00 34.13 32.49 3dx9 s GLU 251 CO -0.00 0.24 0.76 0.00 0.02 0.00 0.00 175.26 176.28 3dx9 s ALA 252 N -2.54 -1.83 0.27 5.21 0.00 1.00 -4.82 121.76 119.04 3dx9 s ALA 252 Ca 0.31 2.08 0.06 0.00 0.00 0.00 0.00 51.96 54.42 3dx9 s ALA 252 Cb -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3dx9 s ALA 252 CO 0.16 -0.33 0.29 -1.58 0.00 0.00 0.00 175.76 174.30 3dx9 s TRP 253 N 0.59 3.19 0.48 0.00 0.52 -1.26 0.46 118.94 122.93 3dx9 s TRP 253 Ca -0.01 -0.12 -0.23 0.00 0.02 0.00 0.00 56.10 55.76 3dx9 s TRP 253 Cb -0.05 -1.57 -0.07 0.00 -1.15 0.00 0.00 33.47 30.64 3dx9 s TRP 253 CO -0.04 0.40 1.25 0.20 0.02 0.00 0.00 176.95 178.78 3dx9 s GLY 254 N -3.94 2.84 -0.40 0.98 0.00 -0.77 -4.95 107.32 101.07 3dx9 s GLY 254 Ca 0.36 1.11 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 3dx9 s GLY 254 CO 0.27 1.61 0.32 0.50 0.00 0.00 0.00 173.10 175.80 3dx9 s ARG 255 N -2.71 3.05 0.52 2.90 1.81 -1.04 -3.90 118.95 119.57 3dx9 s ARG 255 Ca 0.65 -0.93 0.45 0.00 -1.72 0.00 0.00 55.73 54.18 3dx9 s ARG 255 Cb -0.34 -3.96 1.65 0.00 -0.45 0.00 0.00 34.95 31.85 3dx9 s ARG 255 CO 0.41 -0.73 1.55 0.00 -0.68 0.00 0.00 175.30 175.85 3dx9 n ALA 256 N 5.22 1.72 0.00 2.13 0.00 -1.26 -4.39 120.51 123.94 3dx9 n ALA 256 Ca -0.11 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3dx9 n ALA 256 Cb 0.47 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3dx9 n ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25