#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 4.62 3.85 3.41 0.00 -1.26 -4.25 105.19 111.55 3dx9 n GLY 3 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3dx9 n GLY 3 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dx9 s VAL 4 N -3.02 4.79 0.15 1.61 -7.23 -1.26 -4.58 120.40 110.86 3dx9 s VAL 4 Ca 0.40 0.84 0.08 0.00 -1.81 0.00 0.00 61.98 61.49 3dx9 s VAL 4 Cb 0.35 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 3dx9 s VAL 4 CO 0.03 0.05 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.75 3dx9 s SER 5 N -2.01 2.62 0.02 4.85 1.04 -0.16 -4.39 113.70 115.68 3dx9 s SER 5 Ca 0.45 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3dx9 s SER 5 Cb -0.13 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 3dx9 s SER 5 CO 0.20 -0.02 -0.05 -1.10 0.98 0.00 0.00 173.24 173.24 3dx9 s GLN 6 N -2.64 0.40 -0.04 4.02 -0.21 -1.26 0.66 119.66 120.59 3dx9 s GLN 6 Ca 0.14 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 54.99 3dx9 s GLN 6 Cb -0.06 -0.20 0.03 0.00 1.00 0.00 0.00 33.01 33.78 3dx9 s GLN 6 CO 0.06 0.04 0.07 -0.80 -2.12 0.00 0.00 175.29 172.53 3dx9 s ASN 7 N -1.07 0.27 0.93 5.90 0.01 0.16 -4.36 114.94 116.78 3dx9 s ASN 7 Ca -0.08 0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 52.10 3dx9 s ASN 7 Cb -0.07 -0.01 0.14 0.00 0.41 0.00 0.00 41.25 41.71 3dx9 s ASN 7 CO -0.00 -0.16 0.84 -0.81 -1.51 0.00 0.00 177.10 175.45 3dx9 n PRO 8 N 4.47 -0.67 0.14 -0.60 -0.04 -1.26 -0.41 135.00 136.64 3dx9 n PRO 8 Ca -0.22 -1.44 0.01 0.00 -0.04 0.00 0.00 63.50 61.82 3dx9 n PRO 8 Cb 0.50 -0.81 0.15 0.00 -0.04 0.00 0.00 33.50 33.30 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 -3.09 0.54 9.65 -1.81 -3.40 114.38 116.28 3dx9 h ARG 9 Ca -0.27 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 3dx9 h ARG 9 Cb 0.79 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.26 3dx9 h ARG 9 CO 0.21 0.56 0.15 -3.38 2.80 0.00 0.00 179.97 180.31 3dx9 s HIS 10 N -3.30 -0.39 -0.28 2.20 -3.43 -1.26 -0.99 115.29 107.84 3dx9 s HIS 10 Ca 0.01 0.11 -0.17 0.00 -0.80 0.00 0.00 55.06 54.21 3dx9 s HIS 10 Cb 0.10 0.52 0.09 0.00 -1.43 0.00 0.00 32.58 31.87 3dx9 s HIS 10 CO 0.74 -0.90 0.76 0.21 -2.00 0.00 0.00 174.74 173.54 3dx9 s LYS 11 N -3.80 0.65 -0.25 -0.38 2.47 -0.85 -4.89 119.74 112.69 3dx9 s LYS 11 Ca 0.04 1.09 -0.02 0.00 -1.56 0.00 0.00 55.97 55.52 3dx9 s LYS 11 Cb -0.01 0.15 0.02 0.00 -1.46 0.00 0.00 37.83 36.53 3dx9 s LYS 11 CO -0.08 -0.13 -0.06 0.42 0.16 0.00 0.00 175.35 175.66 3dx9 s ILE 12 N 1.45 2.93 0.30 5.43 1.01 -1.26 -1.35 121.20 129.72 3dx9 s ILE 12 Ca -0.09 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.68 3dx9 s ILE 12 Cb -0.05 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3dx9 s ILE 12 CO -0.17 0.22 0.01 0.42 0.00 0.00 0.00 174.94 175.42 3dx9 s THR 13 N 1.34 3.06 0.71 2.92 -4.23 -0.70 -4.93 115.64 113.81 3dx9 s THR 13 Ca 0.01 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 3dx9 s THR 13 Cb -0.16 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3dx9 s THR 13 CO -0.04 -0.29 1.05 -0.75 -0.54 0.00 0.00 174.62 174.05 3dx9 s LYS 14 N -3.71 2.45 0.13 3.99 2.20 -1.26 -1.31 119.74 122.24 3dx9 s LYS 14 Ca 0.33 0.07 -0.24 0.00 -0.36 0.00 0.00 55.97 55.77 3dx9 s LYS 14 Cb -0.04 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 3dx9 s LYS 14 CO 0.20 -1.17 1.64 0.00 -0.36 0.00 0.00 175.35 175.65 3dx9 h ARG 15 N -0.64 -0.32 -0.66 4.03 3.08 -1.74 -3.07 114.38 115.06 3dx9 h ARG 15 Ca -0.45 0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.73 3dx9 h ARG 15 Cb 1.29 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.37 3dx9 h ARG 15 CO 0.63 -0.21 0.44 0.78 -1.07 0.00 0.00 179.97 180.53 3dx9 h GLY 16 N -0.33 0.65 -1.65 0.04 0.00 -1.91 -2.73 103.07 97.13 3dx9 h GLY 16 Ca 0.09 -0.18 -0.51 0.00 0.00 0.00 0.00 47.33 46.73 3dx9 h GLY 16 CO -0.28 0.10 0.37 1.20 0.00 0.00 0.00 176.54 177.93 3dx9 s GLN 17 N -5.42 2.68 0.43 4.80 -1.52 -1.16 -3.69 119.66 115.79 3dx9 s GLN 17 Ca -0.08 1.38 -0.06 0.00 -1.95 0.00 0.00 55.36 54.65 3dx9 s GLN 17 Cb 0.20 -1.94 -0.05 0.00 -0.22 0.00 0.00 33.01 31.01 3dx9 s GLN 17 CO 0.76 -1.34 0.74 -0.80 -0.25 0.00 0.00 175.29 174.40 3dx9 s ASN 18 N -2.65 6.35 -0.05 5.90 0.01 -1.26 -1.37 114.94 121.87 3dx9 s ASN 18 Ca 0.67 0.94 -0.14 0.00 -0.71 0.00 0.00 52.86 53.62 3dx9 s ASN 18 Cb -0.21 -2.25 0.03 0.00 0.41 0.00 0.00 41.25 39.23 3dx9 s ASN 18 CO 0.44 -0.47 0.31 -0.69 -1.51 0.00 0.00 177.10 175.18 3dx9 s VAL 19 N -2.55 0.04 -0.02 1.60 1.01 -0.59 -5.00 120.40 114.89 3dx9 s VAL 19 Ca 0.48 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3dx9 s VAL 19 Cb -0.10 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3dx9 s VAL 19 CO 0.39 -0.18 0.02 -0.89 0.00 0.00 0.00 175.10 174.44 3dx9 s THR 20 N -0.86 0.00 0.20 3.92 2.01 -1.26 -1.42 115.64 118.24 3dx9 s THR 20 Ca -0.09 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.18 3dx9 s THR 20 Cb -0.04 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3dx9 s THR 20 CO 0.03 0.11 0.03 -0.36 -0.69 0.00 0.00 174.62 173.74 3dx9 s PHE 21 N 1.14 2.86 0.05 4.92 0.08 0.10 -4.73 117.98 122.40 3dx9 s PHE 21 Ca -0.08 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 56.90 3dx9 s PHE 21 Cb -0.13 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3dx9 s PHE 21 CO -0.03 0.54 -0.21 0.50 -0.10 0.00 0.00 175.22 175.92 3dx9 s ARG 22 N -3.21 1.37 -0.06 0.44 3.52 0.46 -1.49 118.95 119.98 3dx9 s ARG 22 Ca 0.29 -0.97 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3dx9 s ARG 22 Cb -0.09 -1.50 0.02 0.00 -1.56 0.00 0.00 34.95 31.82 3dx9 s ARG 22 CO 0.20 0.38 -0.09 0.00 -0.81 0.00 0.00 175.30 174.98 3dx9 s ASP 24 N 0.83 4.82 0.90 0.00 1.01 0.21 -1.41 116.67 123.02 3dx9 s ASP 24 Ca -0.12 -0.80 -0.13 0.00 0.71 0.00 0.00 52.55 52.21 3dx9 s ASP 24 Cb -0.15 -1.79 0.13 0.00 1.01 0.00 0.00 42.92 42.12 3dx9 s ASP 24 CO 0.02 -0.17 1.16 -2.16 0.21 0.00 0.00 175.17 174.22 3dx9 s PRO 25 N 1.42 1.26 0.29 8.23 0.04 -1.26 -0.98 135.00 143.99 3dx9 s PRO 25 Ca 0.01 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 3dx9 s PRO 25 Cb -0.17 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3dx9 s PRO 25 CO -0.00 -2.10 1.28 0.42 0.04 0.00 0.00 177.00 176.64 3dx9 s ILE 26 N -3.37 2.95 -0.00 0.56 1.01 -1.26 -4.84 121.20 116.24 3dx9 s ILE 26 Ca 0.64 0.91 -0.39 0.00 0.00 0.00 0.00 60.65 61.81 3dx9 s ILE 26 Cb -0.13 -3.58 -0.19 0.00 0.01 0.00 0.00 42.46 38.57 3dx9 s ILE 26 CO 0.52 0.20 1.23 -0.24 0.00 0.00 0.00 174.94 176.65 3dx9 n SER 27 N 1.34 0.78 -0.16 3.58 2.88 -1.26 -1.46 113.62 119.32 3dx9 n SER 27 Ca 0.01 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.68 3dx9 n SER 27 Cb 0.42 -1.03 -0.01 0.00 -0.75 0.00 0.00 64.21 62.85 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 2.17 -1.11 -2.21 -1.46 -0.58 -1.26 -4.95 120.64 111.24 3dx9 n GLU 28 Ca 0.20 0.40 -0.41 0.00 -0.42 0.00 0.00 57.16 56.93 3dx9 n GLU 28 Cb 0.12 -4.29 -0.03 0.00 -0.57 0.00 0.00 31.44 26.67 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 -1.60 2.01 0.21 -0.32 3.76 -0.53 -4.88 115.29 113.94 3dx9 s HIS 29 Ca 0.00 0.59 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 3dx9 s HIS 29 Cb 0.00 -4.25 0.67 0.00 1.11 0.00 0.00 32.58 30.11 3dx9 s HIS 29 CO 0.00 -2.27 0.95 -1.71 -0.85 0.00 0.00 174.74 170.87 3dx9 n ASN 30 N 10.63 0.10 -4.34 1.40 5.15 -0.48 -4.72 115.26 123.00 3dx9 n ASN 30 Ca 0.17 1.02 -0.31 0.00 -0.60 0.00 0.00 54.58 54.85 3dx9 n ASN 30 Cb 0.50 -0.44 -0.15 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 -5.15 2.09 -0.03 1.20 0.52 -0.72 -1.39 118.95 115.48 3dx9 s ARG 31 Ca -0.06 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 3dx9 s ARG 31 Cb 0.19 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.61 3dx9 s ARG 31 CO 0.47 0.56 -0.02 -1.17 0.02 0.00 0.00 175.30 175.16 3dx9 s LEU 39 N -0.76 1.44 0.12 2.53 0.20 -1.11 -1.40 118.68 119.69 3dx9 s LEU 39 Ca 0.11 -0.06 0.11 0.00 0.69 0.00 0.00 54.13 54.97 3dx9 s LEU 39 Cb -0.10 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.35 3dx9 s LEU 39 CO -0.00 -0.05 -0.26 -0.31 -0.29 0.00 0.00 176.35 175.44 3dx9 s TYR 40 N 0.68 2.33 -0.08 5.38 2.02 0.11 -0.33 117.35 127.45 3dx9 s TYR 40 Ca -0.07 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3dx9 s TYR 40 Cb -0.11 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3dx9 s TYR 40 CO -0.01 0.31 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.50 3dx9 s TRP 41 N -1.02 2.17 0.21 2.71 0.52 -0.12 -1.09 118.94 122.32 3dx9 s TRP 41 Ca 0.14 -0.84 0.09 0.00 0.02 0.00 0.00 56.10 55.51 3dx9 s TRP 41 Cb -0.10 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 3dx9 s TRP 41 CO 0.06 -0.34 -0.17 0.71 0.02 0.00 0.00 176.95 177.22 3dx9 s TYR 42 N 0.37 1.86 0.14 -1.98 2.02 0.19 -1.43 117.35 118.52 3dx9 s TYR 42 Ca -0.15 -0.49 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 3dx9 s TYR 42 Cb -0.17 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3dx9 s TYR 42 CO 0.07 0.42 -0.26 -0.98 -1.57 0.00 0.00 175.55 173.22 3dx9 s ARG 43 N -3.33 1.40 -0.06 -0.62 1.70 -0.40 0.37 118.95 118.00 3dx9 s ARG 43 Ca 0.22 -1.36 -0.04 0.00 -0.47 0.00 0.00 55.73 54.07 3dx9 s ARG 43 Cb -0.03 -1.86 0.03 0.00 -0.57 0.00 0.00 34.95 32.52 3dx9 s ARG 43 CO 0.08 0.43 0.15 -1.14 -1.08 0.00 0.00 175.30 173.75 3dx9 s GLN 44 N -2.14 0.14 0.28 3.89 0.74 0.60 -0.08 119.66 123.09 3dx9 s GLN 44 Ca 0.14 0.30 0.10 0.00 0.05 0.00 0.00 55.36 55.96 3dx9 s GLN 44 Cb -0.10 -0.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.92 3dx9 s GLN 44 CO 0.06 -0.09 -0.05 0.95 -0.55 0.00 0.00 175.29 175.61 3dx9 s THR 45 N 0.65 3.11 0.05 -0.34 -4.23 -1.26 -0.86 115.64 112.76 3dx9 s THR 45 Ca -0.05 -2.04 -0.34 0.00 -1.18 0.00 0.00 61.69 58.09 3dx9 s THR 45 Cb -0.06 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 70.94 3dx9 s THR 45 CO -0.03 -0.36 1.73 -0.11 -0.54 0.00 0.00 174.62 175.31 3dx9 n LEU 46 N -0.84 3.33 0.00 4.79 7.94 -1.26 -1.67 117.00 129.29 3dx9 n LEU 46 Ca -0.06 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3dx9 n LEU 46 Cb 0.60 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3dx9 n LEU 46 CO 0.40 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 3dx9 n GLY 47 N 3.91 0.75 3.41 -3.96 0.00 -1.26 -5.03 105.19 103.02 3dx9 n GLY 47 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.24 1.52 0.67 1.61 -0.21 -0.67 -5.15 119.66 117.20 3dx9 s GLN 48 Ca 0.00 -1.71 -0.10 0.00 0.02 0.00 0.00 55.36 53.58 3dx9 s GLN 48 Cb 0.00 -1.38 0.01 0.00 1.00 0.00 0.00 33.01 32.64 3dx9 s GLN 48 CO 0.00 0.21 1.04 0.20 -2.12 0.00 0.00 175.29 174.62 3dx9 s GLY 49 N -3.42 1.62 0.38 3.09 0.00 -1.26 -4.58 107.32 103.15 3dx9 s GLY 49 Ca 0.27 -0.44 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 3dx9 s GLY 49 CO 0.11 -0.10 1.49 -4.14 0.00 0.00 0.00 173.10 170.47 3dx9 s PRO 50 N -5.26 4.10 -0.20 2.90 0.02 -1.26 -4.71 135.00 130.59 3dx9 s PRO 50 Ca 0.57 2.59 -0.05 0.00 0.02 0.00 0.00 61.00 64.12 3dx9 s PRO 50 Cb -0.11 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 3dx9 s PRO 50 CO 0.50 -0.55 0.01 -2.00 -0.33 0.00 0.00 177.00 174.63 3dx9 s GLU 51 N -2.11 3.66 0.19 5.54 2.12 0.88 -4.93 118.70 124.06 3dx9 s GLU 51 Ca 0.53 -0.50 -0.31 0.00 0.36 0.00 0.00 54.97 55.05 3dx9 s GLU 51 Cb -0.47 -3.11 -0.10 0.00 0.26 0.00 0.00 34.13 30.71 3dx9 s GLU 51 CO 0.64 0.03 1.48 0.12 -0.54 0.00 0.00 175.26 176.98 3dx9 s PHE 52 N 0.97 3.08 -0.10 5.30 2.19 -1.26 -1.27 117.98 126.89 3dx9 s PHE 52 Ca 0.02 0.86 -0.13 0.00 0.33 0.00 0.00 56.93 58.01 3dx9 s PHE 52 Cb -0.14 -3.84 -0.04 0.00 -1.31 0.00 0.00 43.02 37.69 3dx9 s PHE 52 CO 0.02 -2.90 -0.25 1.28 1.83 0.00 0.00 175.22 175.20 3dx9 n LEU 53 N 3.25 1.69 -3.48 6.12 4.77 -0.51 -4.64 117.00 124.19 3dx9 n LEU 53 Ca 0.10 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 3dx9 n LEU 53 Cb 0.40 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3dx9 n LEU 53 CO 0.60 -0.41 0.53 0.28 -1.33 0.00 0.00 177.39 177.06 3dx9 s THR 54 N -2.63 0.00 0.06 -5.08 -1.32 -1.16 0.20 115.64 105.71 3dx9 s THR 54 Ca -0.20 -0.05 -0.06 0.00 -1.21 0.00 0.00 61.69 60.17 3dx9 s THR 54 Cb 0.03 -1.06 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 3dx9 s THR 54 CO 0.30 0.00 0.11 -0.72 -2.21 0.00 0.00 174.62 172.10 3dx9 s TYR 55 N -3.48 0.24 0.07 9.09 1.13 -1.08 -0.95 117.35 122.38 3dx9 s TYR 55 Ca 0.03 -0.65 0.09 0.00 -1.41 0.00 0.00 57.07 55.13 3dx9 s TYR 55 Cb -0.01 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.66 3dx9 s TYR 55 CO -0.10 -0.44 -0.23 -0.06 -2.51 0.00 0.00 175.55 172.21 3dx9 s PHE 56 N -3.41 2.43 -0.20 -3.49 0.08 0.55 -1.95 117.98 111.98 3dx9 s PHE 56 Ca 0.02 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.75 3dx9 s PHE 56 Cb 0.03 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 3dx9 s PHE 56 CO -0.08 0.25 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.01 3dx9 s GLN 57 N -1.61 2.41 5.89 0.44 2.00 0.25 -2.74 119.66 126.30 3dx9 s GLN 57 Ca 0.14 -0.95 0.00 0.00 -2.00 0.00 0.00 55.36 52.55 3dx9 s GLN 57 Cb -0.10 -2.57 0.00 0.00 0.80 0.00 0.00 33.01 31.14 3dx9 s GLN 57 CO 0.05 -0.38 0.00 0.09 -0.50 0.00 0.00 175.29 174.55 3dx9 n ASN 58 N 4.60 0.00 -0.09 6.67 4.13 -0.48 -0.59 115.26 129.50 3dx9 n ASN 58 Ca -0.17 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.24 3dx9 n ASN 58 Cb 0.47 0.00 0.71 0.00 -1.54 0.00 0.00 39.78 39.41 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 0.76 -3.34 3.52 4.71 -1.26 -4.36 120.64 134.66 3dx9 n GLU 59 Ca 0.00 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.16 56.58 3dx9 n GLU 59 Cb 0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.85 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 -2.37 3.57 -0.64 0.62 0.00 0.24 -4.76 121.76 118.42 3dx9 s ALA 60 Ca 0.33 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.39 3dx9 s ALA 60 Cb 0.21 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.63 3dx9 s ALA 60 CO 0.44 -0.53 1.17 -1.14 0.00 0.00 0.00 175.76 175.69 3dx9 s GLN 61 N 1.82 3.33 0.17 0.00 0.74 -1.26 -0.58 119.66 123.88 3dx9 s GLN 61 Ca 0.18 -0.12 0.16 0.00 0.05 0.00 0.00 55.36 55.64 3dx9 s GLN 61 Cb -0.15 -4.10 -0.04 0.00 1.10 0.00 0.00 33.01 29.82 3dx9 s GLN 61 CO 0.09 -1.84 1.14 -0.07 -0.55 0.00 0.00 175.29 174.06 3dx9 h LEU 66 N 12.14 0.00 -7.00 3.68 4.07 -1.76 -3.47 115.31 122.98 3dx9 h LEU 66 Ca -0.27 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.75 3dx9 h LEU 66 Cb 1.06 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.56 3dx9 h LEU 66 CO 1.21 0.53 0.19 -0.70 -1.08 0.00 0.00 178.44 178.59 3dx9 s GLU 67 N -2.95 0.58 -0.04 1.13 2.12 -1.25 -5.04 118.70 113.23 3dx9 s GLU 67 Ca 0.01 0.96 0.05 0.00 0.36 0.00 0.00 54.97 56.35 3dx9 s GLU 67 Cb 0.08 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 3dx9 s GLU 67 CO 0.78 -0.12 -0.20 -1.59 -0.54 0.00 0.00 175.26 173.59 3dx9 s LYS 68 N 1.39 2.01 0.44 4.30 -2.85 -1.26 -2.62 119.74 121.15 3dx9 s LYS 68 Ca -0.08 -0.72 -0.22 0.00 -1.00 0.00 0.00 55.97 53.94 3dx9 s LYS 68 Cb -0.04 -1.75 -0.09 0.00 -2.06 0.00 0.00 37.83 33.89 3dx9 s LYS 68 CO -0.16 0.32 1.06 -1.54 0.10 0.00 0.00 175.35 175.12 3dx9 s SER 69 N -0.10 6.51 0.00 0.03 1.04 0.13 -4.86 113.70 116.45 3dx9 s SER 69 Ca -0.02 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.43 3dx9 s SER 69 Cb -0.12 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3dx9 s SER 69 CO 0.02 -0.66 0.57 0.54 0.98 0.00 0.00 173.24 174.69 3dx9 n ARG 70 N -0.49 0.00 0.00 4.02 3.00 -1.26 -2.55 116.66 119.38 3dx9 n ARG 70 Ca 0.07 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 3dx9 n ARG 70 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 -1.07 0.00 0.00 0.55 7.94 -1.26 -4.81 117.00 118.35 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 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 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 -4.60 -1.96 4.77 -1.06 -4.93 117.00 109.22 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 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 3dx9 n LEU 72 CO 0.00 0.00 0.64 -0.55 -1.33 0.00 0.00 177.39 176.15 3dx9 s SER 73 N 0.00 0.74 0.39 -1.43 0.15 -1.26 -4.92 113.70 107.37 3dx9 s SER 73 Ca 0.00 0.50 0.28 0.00 0.70 0.00 0.00 55.95 57.44 3dx9 s SER 73 Cb 0.00 -0.65 1.16 0.00 -1.71 0.00 0.00 66.02 64.82 3dx9 s SER 73 CO 0.00 -4.22 1.84 -0.78 1.20 0.00 0.00 173.24 171.28 3dx9 h ASP 74 N -2.65 0.00 0.91 5.45 3.58 -2.01 -2.72 116.42 118.98 3dx9 h ASP 74 Ca -0.43 0.00 -0.01 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 0.30 0.00 -0.04 0.03 -2.88 0.00 0.00 179.24 176.64 3dx9 h ARG 75 N 0.00 0.00 -5.89 0.28 3.08 -1.92 -3.42 114.38 106.51 3dx9 h ARG 75 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 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 0.04 -0.25 -0.06 -1.07 0.00 0.00 179.97 178.63 3dx9 s PHE 76 N -3.72 3.67 -0.17 3.04 0.08 -1.03 -0.07 117.98 119.78 3dx9 s PHE 76 Ca 0.00 0.89 -0.07 0.00 0.12 0.00 0.00 56.93 57.87 3dx9 s PHE 76 Cb 0.10 -2.26 0.07 0.00 -0.57 0.00 0.00 43.02 40.35 3dx9 s PHE 76 CO 0.55 0.59 0.37 -1.54 -0.10 0.00 0.00 175.22 175.09 3dx9 s SER 77 N -0.81 -0.23 -0.19 1.36 1.04 -0.01 -4.84 113.70 110.01 3dx9 s SER 77 Ca 0.22 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.47 3dx9 s SER 77 Cb -0.16 0.93 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 3dx9 s SER 77 CO 0.11 -0.21 -0.09 0.00 0.98 0.00 0.00 173.24 174.02 3dx9 s ALA 78 N 2.02 2.68 0.26 5.32 0.00 -1.26 -0.45 121.76 130.34 3dx9 s ALA 78 Ca -0.05 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 50.92 3dx9 s ALA 78 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3dx9 s ALA 78 CO -0.12 -0.23 -0.06 -2.00 0.00 0.00 0.00 175.76 173.35 3dx9 s GLU 79 N 1.14 2.12 -0.49 0.00 2.56 0.35 -4.97 118.70 119.41 3dx9 s GLU 79 Ca 0.01 -1.49 0.06 0.00 0.00 0.00 0.00 54.97 53.55 3dx9 s GLU 79 Cb -0.14 -2.07 0.23 0.00 2.00 0.00 0.00 34.13 34.15 3dx9 s GLU 79 CO -0.03 0.36 0.84 -2.13 -0.56 0.00 0.00 175.26 173.75 3dx9 n ARG 80 N -0.74 0.72 0.06 4.30 0.63 -1.26 -1.44 116.66 118.93 3dx9 n ARG 80 Ca -0.06 -1.87 0.10 0.00 -0.92 0.00 0.00 57.85 55.10 3dx9 n ARG 80 Cb 0.59 -1.46 0.41 0.00 0.45 0.00 0.00 32.46 32.44 3dx9 n ARG 80 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3dx9 n PRO 81 N 1.91 0.09 -0.77 -0.14 -0.04 -1.26 -2.67 135.00 132.13 3dx9 n PRO 81 Ca 0.12 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 3dx9 n PRO 81 Cb 0.61 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.52 3dx9 n PRO 81 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dx9 n LYS 83 N -1.85 0.91 -2.36 0.54 5.02 -1.26 -4.96 118.16 114.21 3dx9 n LYS 83 Ca 0.03 -2.58 -0.06 0.00 -2.02 0.00 0.00 58.31 53.69 3dx9 n LYS 83 Cb 0.21 -1.01 -0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.58 -0.40 0.00 0.72 0.00 -1.09 -4.84 105.19 99.00 3dx9 n GLY 84 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.47 0.00 -4.68 1.61 3.41 -1.26 -4.78 113.62 106.45 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 0.52 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 3dx9 n SER 85 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3dx9 n PHE 86 N 0.00 1.25 -4.53 7.33 -1.74 -1.26 -4.59 117.46 113.91 3dx9 n PHE 86 Ca 0.00 0.40 -0.22 0.00 -0.56 0.00 0.00 57.45 57.07 3dx9 n PHE 86 Cb 0.00 -2.14 -0.16 0.00 1.52 0.00 0.00 39.48 38.71 3dx9 n PHE 86 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3dx9 s SER 87 N -1.80 1.51 -0.02 5.98 0.15 -0.50 -4.35 113.70 114.67 3dx9 s SER 87 Ca 0.76 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.17 3dx9 s SER 87 Cb -0.33 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 3dx9 s SER 87 CO 0.48 0.10 0.00 0.42 1.20 0.00 0.00 173.24 175.44 3dx9 s THR 88 N 0.13 4.19 -0.19 6.45 -4.23 -0.52 -0.68 115.64 120.79 3dx9 s THR 88 Ca -0.03 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3dx9 s THR 88 Cb -0.09 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 70.90 3dx9 s THR 88 CO 0.01 0.42 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.14 3dx9 s LEU 89 N -1.44 2.40 -0.21 4.79 2.96 -0.55 -0.49 118.68 126.13 3dx9 s LEU 89 Ca 0.18 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3dx9 s LEU 89 Cb -0.11 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3dx9 s LEU 89 CO 0.09 0.01 0.03 -0.70 -1.32 0.00 0.00 176.35 174.46 3dx9 s GLU 90 N 1.25 3.72 -0.21 1.98 2.12 0.41 -0.72 118.70 127.25 3dx9 s GLU 90 Ca 0.03 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 54.85 3dx9 s GLU 90 Cb -0.14 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3dx9 s GLU 90 CO -0.08 0.04 -0.01 0.42 -0.54 0.00 0.00 175.26 175.08 3dx9 s ILE 91 N 0.98 3.71 0.31 -3.70 1.01 -0.51 -0.83 121.20 122.16 3dx9 s ILE 91 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3dx9 s ILE 91 Cb -0.14 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3dx9 s ILE 91 CO 0.02 0.41 0.48 -1.10 0.00 0.00 0.00 174.94 174.76 3dx9 s GLN 92 N 1.30 3.47 -0.63 2.79 -0.21 0.90 -1.54 119.66 125.73 3dx9 s GLN 92 Ca 0.04 -0.49 -0.12 0.00 0.02 0.00 0.00 55.36 54.81 3dx9 s GLN 92 Cb -0.15 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.14 3dx9 s GLN 92 CO -0.00 0.25 0.39 0.54 -2.12 0.00 0.00 175.29 174.35 3dx9 n ARG 93 N -1.63 -0.71 -1.53 2.91 1.74 -1.23 -4.76 116.66 111.44 3dx9 n ARG 93 Ca -0.06 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3dx9 n ARG 93 Cb 0.56 -1.21 0.03 0.00 -1.02 0.00 0.00 32.46 30.83 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 -2.73 2.50 -4.43 0.55 -2.24 -0.47 -4.89 114.28 102.57 3dx9 n THR 94 Ca -0.13 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.92 3dx9 n THR 94 Cb 0.38 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.10 1.14 0.31 -0.78 2.02 -1.26 -4.35 118.70 113.69 3dx9 s GLU 95 Ca 0.68 -0.95 0.05 0.00 0.02 0.00 0.00 54.97 54.76 3dx9 s GLU 95 Cb -0.50 -1.26 0.85 0.00 0.10 0.00 0.00 34.13 33.32 3dx9 s GLU 95 CO 0.54 0.31 1.59 1.96 0.02 0.00 0.00 175.26 179.68 3dx9 h GLN 96 N 4.62 0.05 0.00 1.61 4.20 -1.92 0.36 115.11 124.02 3dx9 h GLN 96 Ca -0.42 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3dx9 h GLN 96 Cb 1.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3dx9 h GLN 96 CO 0.42 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.02 3dx9 n GLY 97 N -1.43 -0.63 0.10 3.46 0.00 -1.26 -1.67 105.19 103.76 3dx9 n GLY 97 Ca 0.25 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.19 0.81 -4.65 1.61 8.00 0.13 -4.90 116.55 116.35 3dx9 n ASP 98 Ca 0.08 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 3dx9 n ASP 98 Cb 0.09 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 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 -4.50 6.35 -0.14 -2.24 0.01 -0.67 -4.85 113.70 107.65 3dx9 s SER 99 Ca 0.10 2.53 -0.34 0.00 1.31 0.00 0.00 55.95 59.55 3dx9 s SER 99 Cb 0.12 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.97 3dx9 s SER 99 CO 0.61 -1.15 1.35 0.00 0.41 0.00 0.00 173.24 174.46 3dx9 s ALA 100 N 4.87 -2.29 -0.31 1.44 0.00 -0.55 -4.91 121.76 120.01 3dx9 s ALA 100 Ca 0.88 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.89 3dx9 s ALA 100 Cb -0.41 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3dx9 s ALA 100 CO 0.40 -0.85 0.62 1.41 0.00 0.00 0.00 175.76 177.34 3dx9 s MET 101 N -2.19 3.87 -0.32 0.00 -2.45 -0.04 -1.22 119.30 116.94 3dx9 s MET 101 Ca 0.13 0.25 -0.15 0.00 -1.25 0.00 0.00 55.69 54.67 3dx9 s MET 101 Cb 0.03 -3.74 -0.02 0.00 1.25 0.00 0.00 34.83 32.36 3dx9 s MET 101 CO -0.05 -0.58 0.36 0.71 1.05 0.00 0.00 175.02 176.51 3dx9 s TYR 102 N 2.60 3.22 -0.12 4.11 2.02 -0.30 -0.29 117.35 128.59 3dx9 s TYR 102 Ca 0.25 0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 3dx9 s TYR 102 Cb -0.15 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 3dx9 s TYR 102 CO 0.12 -0.37 0.04 -0.51 -1.57 0.00 0.00 175.55 173.26 3dx9 s LEU 103 N 2.03 3.78 -0.04 -1.29 1.43 0.16 -1.25 118.68 123.49 3dx9 s LEU 103 Ca 0.12 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3dx9 s LEU 103 Cb -0.16 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3dx9 s LEU 103 CO 0.11 0.33 -0.03 0.00 0.23 0.00 0.00 176.35 177.00 3dx9 s ALA 105 N -0.94 0.77 0.11 0.00 0.00 -0.25 -0.21 121.76 121.23 3dx9 s ALA 105 Ca 0.15 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3dx9 s ALA 105 Cb -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3dx9 s ALA 105 CO 0.05 -0.05 -0.07 -1.54 0.00 0.00 0.00 175.76 174.15 3dx9 s SER 106 N -2.00 1.22 -0.04 0.00 1.04 -0.55 0.08 113.70 113.46 3dx9 s SER 106 Ca -0.03 -1.01 -0.06 0.00 0.48 0.00 0.00 55.95 55.33 3dx9 s SER 106 Cb -0.06 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.15 3dx9 s SER 106 CO -0.01 -0.45 0.15 -0.60 0.98 0.00 0.00 173.24 173.31 3dx9 s ARG 107 N -3.83 0.28 0.07 4.02 3.52 -0.49 -0.98 118.95 121.54 3dx9 s ARG 107 Ca 0.13 -0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.41 3dx9 s ARG 107 Cb 0.05 0.13 -0.18 0.00 -1.56 0.00 0.00 34.95 33.38 3dx9 s ARG 107 CO -0.04 -0.05 1.64 -0.92 -0.81 0.00 0.00 175.30 175.12 3dx9 h TYR 108 N 5.33 -0.67 -4.36 5.12 3.20 -1.88 -1.88 116.97 121.84 3dx9 h TYR 108 Ca -0.27 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.40 3dx9 h TYR 108 Cb 1.20 0.22 -0.14 0.00 1.54 0.00 0.00 36.73 39.55 3dx9 h TYR 108 CO 0.47 -0.41 -0.56 1.03 -1.64 0.00 0.00 178.16 177.06 3dx9 s ARG 109 N -6.04 1.11 -1.15 1.82 1.81 -1.26 -1.38 118.95 113.86 3dx9 s ARG 109 Ca -0.17 -1.46 -0.22 0.00 -1.72 0.00 0.00 55.73 52.17 3dx9 s ARG 109 Cb 0.04 0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.82 3dx9 s ARG 109 CO 0.62 -0.36 1.80 0.34 -0.68 0.00 0.00 175.30 177.03 3dx9 s ASP 110 N -3.08 5.85 -0.28 0.23 2.15 -1.26 -4.79 116.67 115.49 3dx9 s ASP 110 Ca 0.29 -1.72 -0.07 0.00 0.43 0.00 0.00 52.55 51.47 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 0.06 -2.18 0.60 -0.62 -0.17 0.00 0.00 175.17 172.86 3dx9 s ASP 111 N 5.79 -1.03 0.63 -0.34 -1.08 -1.26 -5.04 116.67 114.34 3dx9 s ASP 111 Ca 0.61 1.28 0.35 0.00 -0.52 0.00 0.00 52.55 54.27 3dx9 s ASP 111 Cb -0.00 2.10 1.98 0.00 -1.46 0.00 0.00 42.92 45.54 3dx9 s ASP 111 CO 0.06 -0.23 2.21 0.77 0.52 0.00 0.00 175.17 178.49 3dx9 h SER 112 N 8.03 0.00 -0.28 -0.34 4.64 -2.04 -0.19 113.55 123.38 3dx9 h SER 112 Ca -0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 3dx9 h SER 112 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3dx9 h SER 112 CO 0.15 0.00 -0.15 0.22 -0.87 0.00 0.00 176.83 176.18 3dx9 h TYR 113 N 0.00 0.79 -3.37 4.77 5.03 -1.96 -3.43 116.97 118.80 3dx9 h TYR 113 Ca 0.02 -0.15 -0.56 0.00 2.58 0.00 0.00 58.73 60.63 3dx9 h TYR 113 Cb 0.24 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 3dx9 h TYR 113 CO 0.00 0.82 0.25 -0.80 -1.32 0.00 0.00 178.16 177.11 3dx9 s ASN 114 N -6.73 7.12 0.42 -2.11 0.02 -0.08 -5.06 114.94 108.52 3dx9 s ASN 114 Ca -0.09 1.36 -0.03 0.00 -1.02 0.00 0.00 52.86 53.08 3dx9 s ASN 114 Cb 0.14 -2.48 -0.04 0.00 0.02 0.00 0.00 41.25 38.89 3dx9 s ASN 114 CO 0.82 -0.22 0.69 -1.83 0.02 0.00 0.00 177.10 176.57 3dx9 s GLU 115 N 1.13 3.53 0.09 -0.60 1.03 -1.26 -4.83 118.70 117.79 3dx9 s GLU 115 Ca 0.43 0.00 -0.31 0.00 0.03 0.00 0.00 54.97 55.12 3dx9 s GLU 115 Cb -0.19 -2.49 -0.07 0.00 -0.80 0.00 0.00 34.13 30.58 3dx9 s GLU 115 CO 0.21 -0.05 1.27 -0.65 -1.33 0.00 0.00 175.26 174.71 3dx9 s GLN 116 N -4.51 4.39 -0.20 -4.83 -0.21 -1.26 -4.53 119.66 108.52 3dx9 s GLN 116 Ca 0.45 1.90 -0.07 0.00 0.02 0.00 0.00 55.36 57.66 3dx9 s GLN 116 Cb -0.10 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 3dx9 s GLN 116 CO 0.41 -0.31 0.05 -0.06 -2.12 0.00 0.00 175.29 173.25 3dx9 s PHE 117 N 0.98 3.17 0.08 0.91 0.08 -0.16 -4.95 117.98 118.10 3dx9 s PHE 117 Ca 0.60 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 57.47 3dx9 s PHE 117 Cb -0.33 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 3dx9 s PHE 117 CO 0.30 -0.02 0.35 -0.06 -0.10 0.00 0.00 175.22 175.69 3dx9 s PHE 118 N 0.73 3.54 1.00 0.36 0.40 -1.26 -1.48 117.98 121.27 3dx9 s PHE 118 Ca 0.03 0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 56.81 3dx9 s PHE 118 Cb -0.14 -2.04 0.23 0.00 0.51 0.00 0.00 43.02 41.58 3dx9 s PHE 118 CO 0.02 0.52 1.36 0.20 0.70 0.00 0.00 175.22 178.01 3dx9 s GLY 119 N -2.02 1.83 0.00 4.36 0.00 0.70 -4.53 107.32 107.65 3dx9 s GLY 119 Ca 0.34 -1.34 0.29 0.00 0.00 0.00 0.00 44.72 44.01 3dx9 s GLY 119 CO 0.20 -0.50 1.84 -1.55 0.00 0.00 0.00 173.10 173.09 3dx9 n PRO 120 N -3.89 0.70 0.00 2.90 -0.05 -1.26 -4.74 135.00 128.65 3dx9 n PRO 120 Ca 0.17 -0.25 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 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 1.28 -0.38 3.05 0.55 0.00 -1.26 -4.93 105.19 103.50 3dx9 n GLY 121 Ca 0.14 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.93 2.16 -0.70 2.61 2.01 -0.38 -4.58 115.64 113.83 3dx9 s THR 122 Ca 0.00 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 59.93 3dx9 s THR 122 Cb 0.00 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.19 3dx9 s THR 122 CO 0.00 -0.21 1.12 -0.60 -0.69 0.00 0.00 174.62 174.24 3dx9 s ARG 123 N 1.06 3.15 -0.16 4.92 6.06 -0.16 -1.15 118.95 132.68 3dx9 s ARG 123 Ca -0.03 -0.54 -0.21 0.00 -2.50 0.00 0.00 55.73 52.45 3dx9 s ARG 123 Cb -0.20 -4.20 -0.03 0.00 0.06 0.00 0.00 34.95 30.58 3dx9 s ARG 123 CO -0.06 -1.97 0.62 -1.17 -2.50 0.00 0.00 175.30 170.21 3dx9 s LEU 124 N 4.87 4.20 -0.16 -0.88 2.96 -0.36 -2.01 118.68 127.30 3dx9 s LEU 124 Ca 0.28 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3dx9 s LEU 124 Cb -0.13 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.68 3dx9 s LEU 124 CO 0.13 -0.19 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.89 3dx9 s THR 125 N 1.46 2.35 -0.16 3.68 2.01 -0.45 -1.48 115.64 123.04 3dx9 s THR 125 Ca 0.30 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 3dx9 s THR 125 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3dx9 s THR 125 CO 0.12 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.88 3dx9 s VAL 126 N 0.92 4.14 0.23 3.82 1.01 -1.26 -1.73 120.40 127.54 3dx9 s VAL 126 Ca -0.04 -0.27 0.12 0.00 0.00 0.00 0.00 61.98 61.79 3dx9 s VAL 126 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3dx9 s VAL 126 CO -0.03 0.48 -0.22 -0.76 0.00 0.00 0.00 175.10 174.57 3dx9 s LEU 127 N 0.36 2.51 0.20 3.92 1.43 -0.43 -4.51 118.68 122.17 3dx9 s LEU 127 Ca -0.02 -0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 3dx9 s LEU 127 Cb -0.14 -1.12 0.13 0.00 0.03 0.00 0.00 46.19 45.09 3dx9 s LEU 127 CO 0.02 0.08 1.73 -0.33 0.23 0.00 0.00 176.35 178.08 3dx9 h GLU 128 N 2.78 1.16 -2.22 1.70 5.08 -1.96 -2.77 114.58 118.33 3dx9 h GLU 128 Ca -0.43 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 57.66 3dx9 h GLU 128 Cb 1.23 -0.16 -0.23 0.00 0.50 0.00 0.00 28.75 30.09 3dx9 h GLU 128 CO 0.54 0.99 -0.18 0.34 -1.00 0.00 0.00 179.01 179.70 3dx9 s ASP 129 N -6.42 -0.78 0.66 1.42 -1.08 -1.26 -4.61 116.67 104.60 3dx9 s ASP 129 Ca -0.12 1.32 0.39 0.00 -0.52 0.00 0.00 52.55 53.62 3dx9 s ASP 129 Cb 0.15 1.61 2.17 0.00 -1.46 0.00 0.00 42.92 45.39 3dx9 s ASP 129 CO 0.85 -0.22 2.25 -0.07 0.52 0.00 0.00 175.17 178.49 3dx9 h LEU 130 N 7.66 0.00 0.00 -1.34 3.38 -1.92 -1.77 115.31 121.33 3dx9 h LEU 130 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3dx9 h LEU 130 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dx9 h LEU 130 CO 0.15 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.97 3dx9 n LYS 131 N -3.15 0.11 0.00 1.13 2.85 -1.26 -1.87 118.16 115.97 3dx9 n LYS 131 Ca -0.02 0.22 0.15 0.00 -1.05 0.00 0.00 58.31 57.60 3dx9 n LYS 131 Cb 0.16 -1.50 0.71 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.36 0.31 -4.61 -5.58 3.02 -0.66 -4.77 115.26 101.61 3dx9 n ASN 132 Ca 0.05 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 53.60 3dx9 n ASN 132 Cb 0.11 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.38 4.96 0.05 2.41 1.01 -0.78 -4.70 120.40 120.95 3dx9 s VAL 133 Ca 0.33 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.33 3dx9 s VAL 133 Cb 0.21 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3dx9 s VAL 133 CO 0.44 -0.08 -0.23 -0.36 0.00 0.00 0.00 175.10 174.88 3dx9 s PHE 134 N 2.57 1.99 0.70 5.22 0.08 -0.65 -4.75 117.98 123.15 3dx9 s PHE 134 Ca 0.25 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 3dx9 s PHE 134 Cb -0.15 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.14 3dx9 s PHE 134 CO 0.11 0.11 1.06 -1.25 -0.10 0.00 0.00 175.22 175.15 3dx9 s PRO 135 N -1.22 2.61 0.39 0.24 0.04 -1.26 -0.87 135.00 134.92 3dx9 s PRO 135 Ca 0.09 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.09 3dx9 s PRO 135 Cb -0.09 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3dx9 s PRO 135 CO 0.02 -1.11 1.12 -1.25 0.04 0.00 0.00 177.00 175.82 3dx9 s PRO 136 N -5.32 4.14 0.09 0.56 0.04 -1.26 -4.35 135.00 128.90 3dx9 s PRO 136 Ca 0.58 1.72 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 3dx9 s PRO 136 Cb -0.11 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 3dx9 s PRO 136 CO 0.49 -0.21 0.40 -1.21 0.04 0.00 0.00 177.00 176.51 3dx9 s GLU 137 N -2.28 3.73 -0.04 4.56 2.02 1.37 -4.88 118.70 123.19 3dx9 s GLU 137 Ca 0.56 0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.71 3dx9 s GLU 137 Cb -0.28 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 30.99 3dx9 s GLU 137 CO 0.35 0.55 -0.10 0.08 0.02 0.00 0.00 175.26 176.16 3dx9 s VAL 138 N -1.44 0.91 -0.01 2.63 1.01 -1.26 -0.70 120.40 121.54 3dx9 s VAL 138 Ca 0.34 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3dx9 s VAL 138 Cb -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3dx9 s VAL 138 CO 0.19 0.29 -0.10 0.00 0.00 0.00 0.00 175.10 175.47 3dx9 s ALA 139 N 0.40 0.87 -0.16 5.51 0.00 -0.83 -4.57 121.76 122.98 3dx9 s ALA 139 Ca -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 3dx9 s ALA 139 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3dx9 s ALA 139 CO 0.01 0.21 0.03 0.54 0.00 0.00 0.00 175.76 176.56 3dx9 s VAL 140 N -0.24 4.53 -0.20 0.00 0.11 -1.26 -1.34 120.40 122.01 3dx9 s VAL 140 Ca 0.04 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 3dx9 s VAL 140 Cb -0.04 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 3dx9 s VAL 140 CO -0.00 0.50 0.01 -0.36 -3.33 0.00 0.00 175.10 171.91 3dx9 s PHE 141 N 0.12 3.07 0.42 1.54 0.08 0.23 -4.98 117.98 118.45 3dx9 s PHE 141 Ca 0.03 -0.37 -0.22 0.00 0.12 0.00 0.00 56.93 56.49 3dx9 s PHE 141 Cb -0.13 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.15 3dx9 s PHE 141 CO 0.01 -0.17 0.99 -1.21 -0.10 0.00 0.00 175.22 174.74 3dx9 s GLU 142 N 0.90 4.17 0.54 0.44 2.02 -1.26 -1.80 118.70 123.70 3dx9 s GLU 142 Ca 0.01 1.30 -0.21 0.00 0.02 0.00 0.00 54.97 56.09 3dx9 s GLU 142 Cb -0.14 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 3dx9 s GLU 142 CO 0.02 -0.10 1.26 -2.14 0.02 0.00 0.00 175.26 174.32 3dx9 s PRO 143 N -2.86 3.25 0.40 0.39 0.02 -1.25 -4.93 135.00 130.03 3dx9 s PRO 143 Ca 0.60 1.98 -0.25 0.00 0.02 0.00 0.00 61.00 63.35 3dx9 s PRO 143 Cb -0.15 -2.20 -0.08 0.00 0.02 0.00 0.00 34.50 32.09 3dx9 s PRO 143 CO 0.19 -1.02 1.21 0.45 -0.33 0.00 0.00 177.00 177.50 3dx9 s SER 144 N -1.26 6.43 0.32 2.53 0.15 -1.26 -4.96 113.70 115.65 3dx9 s SER 144 Ca 0.71 2.44 0.09 0.00 0.70 0.00 0.00 55.95 59.89 3dx9 s SER 144 Cb -0.34 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 61.87 3dx9 s SER 144 CO 0.40 -0.75 1.73 -0.33 1.20 0.00 0.00 173.24 175.49 3dx9 h GLU 145 N 2.62 0.14 -0.78 5.44 4.39 -1.99 -2.72 114.58 121.68 3dx9 h GLU 145 Ca -0.49 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.19 3dx9 h GLU 145 Cb 1.24 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 3dx9 h GLU 145 CO 0.62 0.54 0.49 0.00 -1.16 0.00 0.00 179.01 179.50 3dx9 h ALA 146 N 1.45 1.04 -0.19 3.43 0.00 -1.99 -0.85 119.26 122.16 3dx9 h ALA 146 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dx9 h ALA 146 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dx9 h ALA 146 CO 0.06 0.27 0.05 1.49 0.00 0.00 0.00 179.25 181.12 3dx9 h GLU 147 N 0.93 0.29 -0.83 0.00 4.81 -1.86 -2.57 114.58 115.36 3dx9 h GLU 147 Ca 0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3dx9 h GLU 147 Cb 0.07 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3dx9 h GLU 147 CO -0.13 0.41 0.53 0.82 -0.73 0.00 0.00 179.01 179.90 3dx9 h ILE 148 N 0.12 1.22 0.00 2.32 2.04 -1.14 -1.28 117.51 120.80 3dx9 h ILE 148 Ca 0.06 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3dx9 h ILE 148 Cb 0.24 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3dx9 h ILE 148 CO -0.00 0.22 -0.02 -1.54 0.00 0.00 0.00 178.15 176.82 3dx9 n SER 149 N -4.48 0.80 -0.06 1.72 3.41 -0.36 -1.53 113.62 113.12 3dx9 n SER 149 Ca 0.09 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 59.11 3dx9 n SER 149 Cb 0.03 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.08 3dx9 n SER 149 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3dx9 n HIS 150 N -2.25 0.56 -0.04 7.33 -0.00 -0.88 -4.68 115.22 115.26 3dx9 n HIS 150 Ca 0.06 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 3dx9 n HIS 150 Cb 0.43 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.33 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 -3.15 0.00 -3.69 3.57 -2.24 -0.53 -5.00 114.28 103.23 3dx9 n THR 151 Ca -0.33 -0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 60.78 3dx9 n THR 151 Cb 1.06 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 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 -0.63 -2.93 -4.32 -0.78 1.13 -0.58 -4.97 117.38 104.29 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 -5.04 -0.10 0.00 0.11 0.00 0.00 30.24 25.22 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 -6.35 1.25 -0.14 -1.09 1.02 -1.26 -1.54 119.74 111.63 3dx9 s LYS 153 Ca 0.52 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.96 3dx9 s LYS 153 Cb -0.29 -1.04 0.05 0.00 -0.52 0.00 0.00 37.83 36.04 3dx9 s LYS 153 CO 0.64 0.17 0.05 0.00 -0.92 0.00 0.00 175.35 175.30 3dx9 s ALA 154 N -2.88 0.62 -0.34 5.17 0.00 0.21 -3.62 121.76 120.93 3dx9 s ALA 154 Ca 0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 3dx9 s ALA 154 Cb -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3dx9 s ALA 154 CO 0.05 -0.96 0.26 0.99 0.00 0.00 0.00 175.76 176.10 3dx9 s THR 155 N 2.03 5.27 0.19 0.00 2.01 -1.26 -1.30 115.64 122.58 3dx9 s THR 155 Ca 0.02 -0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.66 3dx9 s THR 155 Cb -0.15 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 3dx9 s THR 155 CO -0.07 -0.01 0.70 -0.76 -0.69 0.00 0.00 174.62 173.79 3dx9 s LEU 156 N 1.77 4.41 -0.06 4.42 1.02 0.12 -3.83 118.68 126.52 3dx9 s LEU 156 Ca 0.07 1.42 0.04 0.00 0.02 0.00 0.00 54.13 55.68 3dx9 s LEU 156 Cb -0.17 -3.42 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 3dx9 s LEU 156 CO 0.11 0.10 -0.18 -0.69 0.02 0.00 0.00 176.35 175.71 3dx9 s VAL 157 N -1.39 2.68 -0.13 -1.59 1.01 -0.75 -0.91 120.40 119.32 3dx9 s VAL 157 Ca 0.39 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3dx9 s VAL 157 Cb -0.18 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3dx9 s VAL 157 CO 0.22 0.57 0.02 0.00 0.00 0.00 0.00 175.10 175.91 3dx9 s LEU 159 N -0.27 2.20 -0.27 0.00 1.43 -0.45 -0.98 118.68 120.35 3dx9 s LEU 159 Ca 0.07 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 3dx9 s LEU 159 Cb -0.12 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 3dx9 s LEU 159 CO 0.02 -0.01 0.17 0.00 0.23 0.00 0.00 176.35 176.76 3dx9 s ALA 160 N 1.28 3.51 0.20 4.21 0.00 0.86 -1.97 121.76 129.84 3dx9 s ALA 160 Ca 0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 3dx9 s ALA 160 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 3dx9 s ALA 160 CO -0.12 -0.48 0.29 0.95 0.00 0.00 0.00 175.76 176.40 3dx9 s THR 161 N 1.62 0.03 -0.40 0.00 -4.23 0.12 -0.43 115.64 112.35 3dx9 s THR 161 Ca 0.07 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3dx9 s THR 161 Cb -0.15 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.69 3dx9 s THR 161 CO 0.09 -0.15 0.16 -0.83 -0.54 0.00 0.00 174.62 173.35 3dx9 s GLY 162 N -3.03 2.02 0.32 3.99 0.00 -1.26 0.41 107.32 109.77 3dx9 s GLY 162 Ca 0.24 -2.62 0.07 0.00 0.00 0.00 0.00 44.72 42.41 3dx9 s GLY 162 CO 0.05 0.99 0.26 -0.11 0.00 0.00 0.00 173.10 174.30 3dx9 s PHE 163 N 0.89 2.93 -0.29 1.90 -0.71 -0.82 -4.63 117.98 117.25 3dx9 s PHE 163 Ca 0.10 -0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.55 3dx9 s PHE 163 Cb -0.21 -1.71 0.13 0.00 -1.21 0.00 0.00 43.02 40.01 3dx9 s PHE 163 CO -0.06 0.26 0.91 -0.47 -1.34 0.00 0.00 175.22 174.52 3dx9 s TYR 164 N -2.28 -0.67 0.13 3.49 6.14 -0.05 -0.86 117.35 123.24 3dx9 s TYR 164 Ca 0.39 1.39 -0.02 0.00 0.64 0.00 0.00 57.07 59.47 3dx9 s TYR 164 Cb -0.06 0.41 0.03 0.00 0.42 0.00 0.00 41.96 42.76 3dx9 s TYR 164 CO 0.26 -0.33 0.13 -2.30 0.64 0.00 0.00 175.55 173.94 3dx9 n PRO 165 N 3.59 -0.94 -2.91 4.97 -0.02 -1.26 -1.64 135.00 136.79 3dx9 n PRO 165 Ca -0.18 -0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 60.68 3dx9 n PRO 165 Cb 0.58 -0.17 0.01 0.00 -0.02 0.00 0.00 33.50 33.90 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 -3.17 6.61 -4.02 2.55 5.75 -1.26 -4.80 116.55 118.21 3dx9 n ASP 166 Ca 0.02 -3.47 -0.33 0.00 -0.01 0.00 0.00 54.79 51.00 3dx9 n ASP 166 Cb 0.06 -1.25 -0.11 0.00 -1.03 0.00 0.00 41.12 38.79 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 -3.05 3.45 0.11 2.11 2.46 -1.26 -5.08 115.29 114.03 3dx9 s HIS 167 Ca 0.33 -3.02 0.07 0.00 0.47 0.00 0.00 55.06 52.91 3dx9 s HIS 167 Cb 0.08 -3.01 -0.04 0.00 -0.13 0.00 0.00 32.58 29.48 3dx9 s HIS 167 CO 0.06 -0.74 -0.18 0.14 -2.47 0.00 0.00 174.74 171.55 3dx9 s VAL 168 N -0.60 1.56 -0.19 0.89 -7.23 -1.26 -1.78 120.40 111.78 3dx9 s VAL 168 Ca 0.20 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 3dx9 s VAL 168 Cb -0.17 -1.52 0.06 0.00 0.56 0.00 0.00 36.38 35.31 3dx9 s VAL 168 CO -0.06 -0.20 0.02 -1.61 -0.31 0.00 0.00 175.10 172.94 3dx9 s GLU 169 N -2.17 0.85 -0.02 4.82 2.02 0.18 -4.93 118.70 119.45 3dx9 s GLU 169 Ca 0.07 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.42 3dx9 s GLU 169 Cb -0.08 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 3dx9 s GLU 169 CO 0.04 -0.61 0.39 -1.17 0.02 0.00 0.00 175.26 173.94 3dx9 s LEU 170 N 1.78 4.46 -0.12 1.80 0.20 -1.26 -0.77 118.68 124.76 3dx9 s LEU 170 Ca -0.01 0.92 -0.14 0.00 0.69 0.00 0.00 54.13 55.58 3dx9 s LEU 170 Cb -0.17 -2.55 0.04 0.00 -0.43 0.00 0.00 46.19 43.07 3dx9 s LEU 170 CO -0.08 0.31 0.38 -0.94 -0.29 0.00 0.00 176.35 175.74 3dx9 s SER 171 N -0.96 -0.37 -0.17 3.68 1.04 0.18 -4.99 113.70 112.10 3dx9 s SER 171 Ca 0.23 0.67 -0.08 0.00 0.48 0.00 0.00 55.95 57.25 3dx9 s SER 171 Cb -0.16 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3dx9 s SER 171 CO 0.12 -0.19 0.12 0.26 0.98 0.00 0.00 173.24 174.53 3dx9 s TRP 172 N -0.05 3.44 -0.16 5.02 0.52 -1.26 -0.59 118.94 125.87 3dx9 s TRP 172 Ca -0.02 0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.47 3dx9 s TRP 172 Cb -0.03 -2.06 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 3dx9 s TRP 172 CO 0.01 0.43 -0.20 -1.58 0.02 0.00 0.00 176.95 175.64 3dx9 s TRP 173 N -0.16 2.60 -0.19 -1.98 0.52 -0.35 -1.12 118.94 118.25 3dx9 s TRP 173 Ca 0.10 -1.43 -0.03 0.00 0.02 0.00 0.00 56.10 54.76 3dx9 s TRP 173 Cb -0.12 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 3dx9 s TRP 173 CO 0.00 -0.69 -0.05 0.08 0.02 0.00 0.00 176.95 176.31 3dx9 s VAL 174 N 1.11 3.47 -1.71 4.03 1.01 -0.81 -1.28 120.40 126.22 3dx9 s VAL 174 Ca -0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 3dx9 s VAL 174 Cb -0.14 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.85 3dx9 s VAL 174 CO -0.08 0.45 0.78 0.59 0.00 0.00 0.00 175.10 176.84 3dx9 n ASN 175 N 4.31 -3.21 -0.23 3.32 3.02 -0.69 -2.83 115.26 118.95 3dx9 n ASN 175 Ca -0.18 -1.02 -0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3dx9 n ASN 175 Cb 0.52 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 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 -1.40 0.58 3.25 7.41 0.00 -1.26 -5.06 105.19 108.70 3dx9 n GLY 176 Ca 0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.40 0.40 0.31 1.61 2.36 -1.13 -5.13 119.74 113.76 3dx9 s LYS 177 Ca 0.00 0.67 -0.29 0.00 -2.55 0.00 0.00 55.97 53.80 3dx9 s LYS 177 Cb -0.00 0.06 -0.11 0.00 -1.05 0.00 0.00 37.83 36.73 3dx9 s LYS 177 CO 0.00 -0.12 1.50 -2.00 1.55 0.00 0.00 175.35 176.28 3dx9 s GLU 178 N 0.92 4.18 0.18 4.03 2.12 -1.26 -1.93 118.70 126.95 3dx9 s GLU 178 Ca -0.06 2.47 0.08 0.00 0.36 0.00 0.00 54.97 57.83 3dx9 s GLU 178 Cb -0.06 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 3dx9 s GLU 178 CO -0.07 -0.51 -0.06 0.14 -0.54 0.00 0.00 175.26 174.22 3dx9 s VAL 179 N -0.44 3.38 0.00 3.70 -7.23 -0.28 -4.89 120.40 114.64 3dx9 s VAL 179 Ca 0.58 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3dx9 s VAL 179 Cb -0.45 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 33.80 3dx9 s VAL 179 CO 0.52 -0.13 0.00 1.41 -0.31 0.00 0.00 175.10 176.59 3dx9 n HIS 180 N -0.08 0.00 -1.67 2.82 8.25 -1.26 -4.54 115.22 118.74 3dx9 n HIS 180 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.93 3dx9 n HIS 180 Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 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 -2.26 2.41 0.00 0.41 2.88 -1.26 -2.68 113.62 113.12 3dx9 n SER 181 Ca 0.00 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3dx9 n SER 181 Cb 0.44 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 0.87 0.46 3.42 0.46 0.00 -1.26 -4.87 105.19 104.27 3dx9 n GLY 182 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.03 2.62 -0.06 1.61 1.01 -1.09 0.10 120.40 122.57 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 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.36 3dx9 s VAL 183 CO 0.00 0.41 0.12 0.00 0.00 0.00 0.00 175.10 175.64 3dx9 s THR 185 N 0.98 0.79 0.23 0.00 2.01 -1.26 0.17 115.64 118.56 3dx9 s THR 185 Ca -0.08 -0.53 -0.32 0.00 0.31 0.00 0.00 61.69 61.07 3dx9 s THR 185 Cb -0.10 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 71.60 3dx9 s THR 185 CO -0.05 0.15 1.65 0.47 -0.69 0.00 0.00 174.62 176.15 3dx9 n ASP 186 N 2.63 3.76 -0.04 3.53 8.00 -0.86 -4.89 116.55 128.68 3dx9 n ASP 186 Ca -0.15 1.09 -0.09 0.00 0.71 0.00 0.00 54.79 56.35 3dx9 n ASP 186 Cb 0.56 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3dx9 n ASP 186 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3dx9 h PRO 187 N 5.91 -0.32 -6.40 -0.24 0.11 -1.99 -3.42 132.00 125.65 3dx9 h PRO 187 Ca -0.45 0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.07 3dx9 h PRO 187 Cb 1.22 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.27 3dx9 h PRO 187 CO 0.89 -0.21 -0.71 -0.65 -0.21 0.00 0.00 178.00 177.10 3dx9 s GLN 188 N -6.02 2.08 1.18 1.05 1.11 -1.26 -5.15 119.66 112.65 3dx9 s GLN 188 Ca -0.15 -1.31 -0.18 0.00 0.01 0.00 0.00 55.36 53.73 3dx9 s GLN 188 Cb 0.11 -2.14 0.27 0.00 -1.01 0.00 0.00 33.01 30.24 3dx9 s GLN 188 CO 0.67 0.42 1.09 -2.14 0.01 0.00 0.00 175.29 175.33 3dx9 s PRO 189 N -2.97 -1.02 0.13 2.91 0.02 -1.26 -4.94 135.00 127.87 3dx9 s PRO 189 Ca 0.26 0.12 0.09 0.00 0.02 0.00 0.00 61.00 61.48 3dx9 s PRO 189 Cb -0.08 -1.60 -0.04 0.00 0.02 0.00 0.00 34.50 32.80 3dx9 s PRO 189 CO 0.16 -3.62 -0.20 -0.48 -0.33 0.00 0.00 177.00 172.53 3dx9 s LEU 190 N -6.93 2.37 0.03 -5.54 0.05 0.24 -4.91 118.68 103.98 3dx9 s LEU 190 Ca 0.69 -0.77 -0.30 0.00 0.05 0.00 0.00 54.13 53.80 3dx9 s LEU 190 Cb -0.13 -0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 3dx9 s LEU 190 CO 0.57 0.03 1.04 -0.54 -0.55 0.00 0.00 176.35 176.90 3dx9 s LYS 191 N -2.33 4.54 0.19 1.48 1.02 -1.26 -0.32 119.74 123.06 3dx9 s LYS 191 Ca 0.11 1.52 0.04 0.00 0.02 0.00 0.00 55.97 57.66 3dx9 s LYS 191 Cb -0.08 -3.42 0.09 0.00 -0.52 0.00 0.00 37.83 33.90 3dx9 s LYS 191 CO 0.06 -0.08 1.45 0.93 -0.92 0.00 0.00 175.35 176.78 3dx9 h GLU 192 N 6.67 0.19 -2.27 1.68 5.08 -1.29 -3.39 114.58 121.25 3dx9 h GLU 192 Ca -0.41 -0.18 -0.53 0.00 -1.00 0.00 0.00 59.36 57.24 3dx9 h GLU 192 Cb 1.22 0.04 -0.36 0.00 0.50 0.00 0.00 28.75 30.16 3dx9 h GLU 192 CO 0.76 0.88 -0.87 -0.65 -1.00 0.00 0.00 179.01 178.13 3dx9 s GLN 193 N -3.40 0.78 0.00 2.33 -0.21 -1.26 -5.04 119.66 112.87 3dx9 s GLN 193 Ca -0.03 -1.65 0.29 0.00 0.02 0.00 0.00 55.36 54.00 3dx9 s GLN 193 Cb 0.11 -1.19 1.34 0.00 1.00 0.00 0.00 33.01 34.27 3dx9 s GLN 193 CO 0.81 -1.31 1.91 -0.35 -2.12 0.00 0.00 175.29 174.23 3dx9 n PRO 194 N 3.37 1.44 0.00 2.91 -0.04 -1.26 -0.14 135.00 141.28 3dx9 n PRO 194 Ca 0.22 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 3dx9 n PRO 194 Cb 0.45 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.23 0.00 -2.55 0.55 0.00 -1.26 -4.97 120.51 112.05 3dx9 n ALA 195 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 3dx9 n ALA 195 Cb 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 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 2.37 0.04 0.00 1.43 0.81 -5.07 118.68 118.25 3dx9 s LEU 196 Ca 0.00 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 3dx9 s LEU 196 Cb 0.00 -0.54 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 3dx9 s LEU 196 CO 0.00 -0.12 1.25 -1.13 0.23 0.00 0.00 176.35 176.57 3dx9 h ASN 197 N 3.75 -0.62 -0.03 2.29 -1.24 -1.93 -3.25 115.58 114.55 3dx9 h ASN 197 Ca -0.40 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 3dx9 h ASN 197 Cb 1.19 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.44 3dx9 h ASN 197 CO 0.47 -0.30 0.02 -0.90 -1.29 0.00 0.00 177.43 175.43 3dx9 n ASP 198 N -3.72 3.87 -4.69 1.15 5.68 -1.26 -4.93 116.55 112.65 3dx9 n ASP 198 Ca -0.05 -2.19 -0.43 0.00 -0.50 0.00 0.00 54.79 51.62 3dx9 n ASP 198 Cb 0.21 -0.73 -0.03 0.00 -1.14 0.00 0.00 41.12 39.43 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 0.80 4.02 -4.83 -1.12 2.88 -1.23 -4.95 113.62 109.20 3dx9 n SER 199 Ca 0.02 0.99 -0.33 0.00 -1.33 0.00 0.00 58.87 58.22 3dx9 n SER 199 Cb 0.52 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.38 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 2.72 4.15 0.22 -1.46 0.52 -1.26 -4.86 118.95 118.97 3dx9 s ARG 200 Ca 0.82 1.08 0.07 0.00 -0.52 0.00 0.00 55.73 57.18 3dx9 s ARG 200 Cb -0.49 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 3dx9 s ARG 200 CO 0.38 -0.10 0.09 0.71 0.02 0.00 0.00 175.30 176.40 3dx9 s TYR 201 N -2.29 2.97 0.02 -0.53 2.02 -0.04 -0.79 117.35 118.71 3dx9 s TYR 201 Ca 0.61 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 57.23 3dx9 s TYR 201 Cb -0.09 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3dx9 s TYR 201 CO 0.18 0.54 -0.11 0.00 -1.57 0.00 0.00 175.55 174.59 3dx9 s ALA 202 N -1.99 0.86 -0.02 3.71 0.00 0.57 -1.94 121.76 122.95 3dx9 s ALA 202 Ca 0.31 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3dx9 s ALA 202 Cb -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3dx9 s ALA 202 CO 0.22 0.16 -0.06 -1.17 0.00 0.00 0.00 175.76 174.91 3dx9 s LEU 203 N -0.77 1.69 0.18 0.00 2.96 0.43 -0.59 118.68 122.57 3dx9 s LEU 203 Ca 0.01 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3dx9 s LEU 203 Cb -0.06 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3dx9 s LEU 203 CO 0.00 0.02 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.95 3dx9 s SER 204 N 0.34 3.85 0.00 3.68 1.04 -1.26 -0.10 113.70 121.25 3dx9 s SER 204 Ca -0.04 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 3dx9 s SER 204 Cb -0.08 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.54 3dx9 s SER 204 CO -0.00 0.12 0.15 -0.55 0.98 0.00 0.00 173.24 173.95 3dx9 s SER 205 N -2.65 0.01 -0.01 7.02 0.15 -0.16 -2.03 113.70 116.02 3dx9 s SER 205 Ca 0.22 -0.18 0.07 0.00 0.70 0.00 0.00 55.95 56.76 3dx9 s SER 205 Cb -0.09 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 3dx9 s SER 205 CO 0.12 -0.38 -0.23 -0.13 1.20 0.00 0.00 173.24 173.82 3dx9 s ARG 206 N -1.38 2.13 -0.08 5.44 3.00 0.13 0.34 118.95 128.52 3dx9 s ARG 206 Ca -0.15 -0.92 0.02 0.00 0.00 0.00 0.00 55.73 54.69 3dx9 s ARG 206 Cb -0.07 -2.10 0.01 0.00 0.00 0.00 0.00 34.95 32.79 3dx9 s ARG 206 CO 0.02 0.56 -0.15 -1.17 0.00 0.00 0.00 175.30 174.56 3dx9 s LEU 207 N -0.78 1.73 -0.11 2.53 0.20 -0.09 -1.23 118.68 120.94 3dx9 s LEU 207 Ca 0.11 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.56 3dx9 s LEU 207 Cb -0.10 -1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 3dx9 s LEU 207 CO 0.00 0.05 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.35 3dx9 s ARG 208 N 0.71 3.17 0.42 1.98 3.52 0.12 0.12 118.95 129.00 3dx9 s ARG 208 Ca -0.13 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.77 3dx9 s ARG 208 Cb -0.16 -2.50 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3dx9 s ARG 208 CO 0.03 0.26 0.14 0.14 -0.81 0.00 0.00 175.30 175.06 3dx9 s VAL 209 N 0.21 0.54 0.56 7.11 -7.23 -0.42 -4.63 120.40 116.54 3dx9 s VAL 209 Ca -0.10 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.91 3dx9 s VAL 209 Cb -0.16 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 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 -3.63 6.18 0.11 4.85 1.04 -1.26 -0.62 113.70 120.37 3dx9 s SER 210 Ca 0.22 1.70 -0.23 0.00 0.48 0.00 0.00 55.95 58.12 3dx9 s SER 210 Cb 0.02 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 3dx9 s SER 210 CO 0.15 -0.89 1.70 0.00 0.98 0.00 0.00 173.24 175.17 3dx9 h ALA 211 N 0.65 -0.07 -0.98 5.32 0.00 -1.53 -2.08 119.26 120.57 3dx9 h ALA 211 Ca -0.47 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3dx9 h ALA 211 Cb 1.20 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 3dx9 h ALA 211 CO 0.59 -0.57 0.64 1.79 0.00 0.00 0.00 179.25 181.70 3dx9 h THR 212 N -0.14 1.12 -0.65 0.00 1.35 -1.93 -0.81 112.91 111.84 3dx9 h THR 212 Ca 0.04 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 3dx9 h THR 212 Cb 0.20 -0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.42 3dx9 h THR 212 CO -0.11 0.22 0.38 0.15 -0.25 0.00 0.00 175.52 175.91 3dx9 h PHE 213 N 1.18 0.86 0.00 4.73 3.57 -1.82 -2.36 116.94 123.10 3dx9 h PHE 213 Ca 0.41 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.82 3dx9 h PHE 213 Cb 0.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3dx9 h PHE 213 CO -0.00 0.58 -0.43 2.35 -2.23 0.00 0.00 178.31 178.58 3dx9 h TRP 214 N 0.90 0.00 -0.29 0.41 2.91 -0.63 -3.27 115.95 115.99 3dx9 h TRP 214 Ca 0.23 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.25 3dx9 h TRP 214 Cb -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3dx9 h TRP 214 CO 0.00 0.43 0.00 1.04 -1.03 0.00 0.00 178.44 178.88 3dx9 n GLN 215 N -3.35 2.32 -3.77 2.65 6.02 -0.41 -2.30 117.38 118.55 3dx9 n GLN 215 Ca 0.01 -1.32 -0.37 0.00 -0.01 0.00 0.00 57.00 55.31 3dx9 n GLN 215 Cb 0.62 -1.59 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.63 5.21 0.00 1.08 3.84 -1.19 -4.12 114.94 119.12 3dx9 s ASN 216 Ca 0.24 -1.05 0.12 0.00 0.21 0.00 0.00 52.86 52.37 3dx9 s ASN 216 Cb 0.16 -1.85 0.60 0.00 -0.55 0.00 0.00 41.25 39.61 3dx9 s ASN 216 CO 0.11 -0.29 1.24 -2.65 -2.79 0.00 0.00 177.10 172.72 3dx9 n PRO 217 N 4.80 0.21 0.00 0.43 -0.02 -1.25 -1.80 135.00 137.36 3dx9 n PRO 217 Ca -0.13 0.14 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 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 -1.23 0.50 -3.43 -0.52 1.85 -1.26 -4.42 116.66 108.15 3dx9 n ARG 218 Ca 0.06 -0.20 -0.35 0.00 -1.00 0.00 0.00 57.85 56.36 3dx9 n ARG 218 Cb 0.08 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.94 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 -2.64 6.78 -0.06 2.89 0.02 -0.75 -5.01 114.94 116.17 3dx9 s ASN 219 Ca 0.23 0.99 0.03 0.00 -1.02 0.00 0.00 52.86 53.09 3dx9 s ASN 219 Cb 0.19 -2.26 0.01 0.00 0.02 0.00 0.00 41.25 39.22 3dx9 s ASN 219 CO 0.53 0.14 -0.13 -2.28 0.02 0.00 0.00 177.10 175.38 3dx9 s HIS 220 N -1.42 1.44 -0.14 2.20 2.46 -1.26 -2.06 115.29 116.51 3dx9 s HIS 220 Ca 0.35 -0.50 0.01 0.00 0.47 0.00 0.00 55.06 55.40 3dx9 s HIS 220 Cb -0.15 -1.04 0.02 0.00 -0.13 0.00 0.00 32.58 31.27 3dx9 s HIS 220 CO 0.19 -0.25 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.97 3dx9 s PHE 221 N 0.54 2.41 -0.03 3.88 0.08 0.16 -1.70 117.98 123.32 3dx9 s PHE 221 Ca -0.12 -1.29 0.06 0.00 0.12 0.00 0.00 56.93 55.70 3dx9 s PHE 221 Cb -0.15 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3dx9 s PHE 221 CO 0.03 -0.64 -0.22 0.50 -0.10 0.00 0.00 175.22 174.79 3dx9 s ARG 222 N 1.14 2.02 -0.22 0.44 3.52 -0.41 -0.02 118.95 125.42 3dx9 s ARG 222 Ca -0.01 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 54.74 3dx9 s ARG 222 Cb -0.14 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.39 3dx9 s ARG 222 CO -0.07 0.41 0.01 0.00 -0.81 0.00 0.00 175.30 174.84 3dx9 s GLN 224 N 1.28 3.26 -0.23 0.00 0.74 0.24 -1.50 119.66 123.45 3dx9 s GLN 224 Ca 0.04 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.74 3dx9 s GLN 224 Cb -0.15 -2.67 0.05 0.00 1.10 0.00 0.00 33.01 31.34 3dx9 s GLN 224 CO 0.01 0.02 -0.14 0.08 -0.55 0.00 0.00 175.29 174.71 3dx9 s VAL 225 N 0.82 2.08 -0.02 1.34 1.01 0.05 -0.65 120.40 125.03 3dx9 s VAL 225 Ca -0.05 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 3dx9 s VAL 225 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3dx9 s VAL 225 CO 0.00 0.17 0.85 -1.58 0.00 0.00 0.00 175.10 174.54 3dx9 s GLN 226 N 1.19 4.51 -0.04 2.72 2.00 0.05 -1.24 119.66 128.85 3dx9 s GLN 226 Ca -0.04 1.17 0.06 0.00 -2.00 0.00 0.00 55.36 54.56 3dx9 s GLN 226 Cb -0.17 -3.45 -0.01 0.00 0.80 0.00 0.00 33.01 30.18 3dx9 s GLN 226 CO -0.08 0.03 -0.23 0.12 -0.50 0.00 0.00 175.29 174.63 3dx9 s PHE 227 N 0.82 2.20 -0.43 1.67 5.36 0.54 -0.65 117.98 127.49 3dx9 s PHE 227 Ca 0.45 -0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 55.78 3dx9 s PHE 227 Cb -0.20 -1.44 0.11 0.00 -0.34 0.00 0.00 43.02 41.15 3dx9 s PHE 227 CO 0.24 -0.15 0.25 0.71 -1.46 0.00 0.00 175.22 174.81 3dx9 s TYR 228 N -0.24 3.48 0.00 10.12 2.02 -0.73 -1.31 117.35 130.68 3dx9 s TYR 228 Ca 0.00 -2.06 0.00 0.00 -0.37 0.00 0.00 57.07 54.64 3dx9 s TYR 228 Cb -0.12 -3.23 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 3dx9 s TYR 228 CO 0.02 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 3dx9 n GLY 229 N 4.76 4.70 3.80 0.71 0.00 -1.26 -4.77 105.19 113.13 3dx9 n GLY 229 Ca -0.06 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 2.57 0.27 0.99 1.43 -1.05 -4.46 118.68 118.42 3dx9 s LEU 230 Ca 0.00 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.37 3dx9 s LEU 230 Cb 0.00 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 3dx9 s LEU 230 CO 0.00 -2.03 0.53 -0.55 0.23 0.00 0.00 176.35 174.53 3dx9 s SER 231 N -3.86 6.45 0.50 2.29 0.15 -1.26 -2.24 113.70 115.73 3dx9 s SER 231 Ca 0.61 0.69 0.32 0.00 0.70 0.00 0.00 55.95 58.28 3dx9 s SER 231 Cb -0.15 -2.13 1.44 0.00 -1.71 0.00 0.00 66.02 63.47 3dx9 s SER 231 CO 0.54 -0.16 1.78 -0.33 1.20 0.00 0.00 173.24 176.27 3dx9 h GLU 232 N 1.82 0.10 -0.01 5.44 4.39 -1.99 -1.08 114.58 123.25 3dx9 h GLU 232 Ca -0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dx9 h GLU 232 Cb 1.19 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3dx9 h GLU 232 CO 0.67 0.06 -0.03 -1.71 -1.16 0.00 0.00 179.01 176.84 3dx9 n ASN 233 N -4.31 0.60 -4.75 1.42 4.05 -1.26 -4.89 115.26 106.13 3dx9 n ASN 233 Ca 0.27 -1.02 -0.40 0.00 0.45 0.00 0.00 54.58 53.87 3dx9 n ASN 233 Cb 1.19 -0.02 -0.05 0.00 1.23 0.00 0.00 39.78 42.12 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 -2.14 7.35 0.04 1.20 1.01 -0.41 -4.99 116.67 118.71 3dx9 s ASP 234 Ca 0.39 1.60 -0.31 0.00 0.71 0.00 0.00 52.55 54.95 3dx9 s ASP 234 Cb 0.21 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.53 3dx9 s ASP 234 CO 0.39 0.07 1.94 1.21 0.21 0.00 0.00 175.17 178.98 3dx9 n GLU 235 N 2.36 2.76 -4.53 8.23 4.07 -1.26 -4.97 120.64 127.30 3dx9 n GLU 235 Ca -0.02 1.01 -0.21 0.00 -0.06 0.00 0.00 57.16 57.87 3dx9 n GLU 235 Cb 0.49 -2.94 -0.15 0.00 -0.06 0.00 0.00 31.44 28.78 3dx9 n GLU 235 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 3dx9 s TRP 236 N 4.06 1.11 0.00 4.31 -0.11 -1.26 -5.04 118.94 122.02 3dx9 s TRP 236 Ca 0.88 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.96 3dx9 s TRP 236 Cb -0.48 -0.74 0.00 0.00 -1.50 0.00 0.00 33.47 30.75 3dx9 s TRP 236 CO 0.43 -0.06 0.00 -2.37 -4.62 0.00 0.00 176.95 170.33 3dx9 n THR 237 N 2.97 0.00 -1.29 5.86 5.66 -1.26 -5.09 114.28 121.13 3dx9 n THR 237 Ca -0.16 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 3dx9 n THR 237 Cb 0.55 -0.73 0.19 0.00 -1.55 0.00 0.00 70.33 68.79 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 -1.97 -0.03 -0.01 1.09 -0.21 -1.26 -4.98 119.66 112.28 3dx9 s GLN 238 Ca 0.00 0.16 -0.24 0.00 0.02 0.00 0.00 55.36 55.29 3dx9 s GLN 238 Cb 0.00 -1.72 -0.17 0.00 1.00 0.00 0.00 33.01 32.12 3dx9 s GLN 238 CO 0.00 -2.96 1.18 -0.44 -2.12 0.00 0.00 175.29 170.94 3dx9 h ASP 239 N -2.05 -0.19 -4.23 5.90 3.32 -2.05 -3.46 116.42 113.66 3dx9 h ASP 239 Ca -0.49 -0.31 -0.53 0.00 0.02 0.00 0.00 57.03 55.72 3dx9 h ASP 239 Cb 1.31 0.05 0.17 0.00 0.22 0.00 0.00 39.33 41.08 3dx9 h ASP 239 CO 0.48 0.25 0.32 0.00 -1.72 0.00 0.00 179.24 178.57 3dx9 s ARG 240 N -4.29 1.65 0.17 3.56 1.70 -1.26 -4.85 118.95 115.63 3dx9 s ARG 240 Ca -0.14 1.65 -0.34 0.00 -0.47 0.00 0.00 55.73 56.43 3dx9 s ARG 240 Cb 0.02 -1.79 -0.15 0.00 -0.57 0.00 0.00 34.95 32.46 3dx9 s ARG 240 CO 0.57 -2.18 1.41 0.00 -1.08 0.00 0.00 175.30 174.02 3dx9 n ALA 241 N -3.43 0.43 -1.69 7.88 0.00 -1.26 -4.81 120.51 117.63 3dx9 n ALA 241 Ca 0.13 0.45 -0.56 0.00 0.00 0.00 0.00 53.44 53.46 3dx9 n ALA 241 Cb 0.51 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 2.55 1.22 -1.05 0.00 4.81 -1.26 -4.78 118.16 119.65 3dx9 n LYS 242 Ca 0.15 0.45 -0.29 0.00 -0.87 0.00 0.00 58.31 57.75 3dx9 n LYS 242 Cb 0.27 -2.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.14 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 4.89 2.84 -0.95 1.64 -0.04 -1.26 -4.94 135.00 137.19 3dx9 n PRO 243 Ca 0.25 -1.73 -0.29 0.00 -0.04 0.00 0.00 63.50 61.69 3dx9 n PRO 243 Cb 0.15 -2.53 0.21 0.00 -0.04 0.00 0.00 33.50 31.29 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 2.40 1.91 0.09 0.52 -7.23 -1.26 -2.54 120.40 114.29 3dx9 s VAL 244 Ca 0.58 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.44 3dx9 s VAL 244 Cb 0.17 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 3dx9 s VAL 244 CO -0.04 0.00 1.81 -0.89 -0.31 0.00 0.00 175.10 175.67 3dx9 s THR 245 N -2.81 2.73 0.31 5.32 2.01 -0.95 -4.28 115.64 117.98 3dx9 s THR 245 Ca 0.67 0.15 -0.17 0.00 0.31 0.00 0.00 61.69 62.65 3dx9 s THR 245 Cb -0.19 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.25 3dx9 s THR 245 CO 0.59 -0.00 0.70 0.00 -0.69 0.00 0.00 174.62 175.22 3dx9 s GLN 246 N 3.02 1.91 -0.16 4.92 -2.07 -0.43 -4.90 119.66 121.96 3dx9 s GLN 246 Ca 0.80 -1.21 0.01 0.00 -1.82 0.00 0.00 55.36 53.15 3dx9 s GLN 246 Cb -0.44 0.59 0.01 0.00 -1.09 0.00 0.00 33.01 32.08 3dx9 s GLN 246 CO 0.36 -0.87 -0.19 0.42 -1.32 0.00 0.00 175.29 173.69 3dx9 s ILE 247 N -3.36 2.24 -0.09 3.63 1.01 -1.26 -0.34 121.20 123.02 3dx9 s ILE 247 Ca 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 3dx9 s ILE 247 Cb -0.05 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3dx9 s ILE 247 CO 0.09 0.53 0.02 -0.69 0.00 0.00 0.00 174.94 174.90 3dx9 s VAL 248 N 0.95 4.48 0.05 2.92 1.01 -0.37 -4.93 120.40 124.51 3dx9 s VAL 248 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3dx9 s VAL 248 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3dx9 s VAL 248 CO -0.04 0.61 -0.10 -0.44 0.00 0.00 0.00 175.10 175.12 3dx9 s SER 249 N -0.89 1.17 -0.01 3.32 0.01 -1.26 -0.77 113.70 115.26 3dx9 s SER 249 Ca 0.13 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3dx9 s SER 249 Cb -0.11 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3dx9 s SER 249 CO 0.02 -0.16 -0.02 0.00 0.41 0.00 0.00 173.24 173.50 3dx9 s ALA 250 N -1.35 0.30 0.27 1.44 0.00 -0.56 -4.85 121.76 117.01 3dx9 s ALA 250 Ca -0.07 -0.03 0.12 0.00 0.00 0.00 0.00 51.96 51.98 3dx9 s ALA 250 Cb -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3dx9 s ALA 250 CO 0.01 0.02 -0.19 -1.21 0.00 0.00 0.00 175.76 174.39 3dx9 s GLU 251 N 0.32 1.72 -0.28 0.00 2.02 -1.26 -0.31 118.70 120.92 3dx9 s GLU 251 Ca -0.03 -1.73 -0.20 0.00 0.02 0.00 0.00 54.97 53.03 3dx9 s GLU 251 Cb -0.06 -1.81 0.08 0.00 0.10 0.00 0.00 34.13 32.44 3dx9 s GLU 251 CO -0.01 0.34 0.71 0.00 0.02 0.00 0.00 175.26 176.32 3dx9 s ALA 252 N -2.45 -1.85 0.23 5.21 0.00 0.98 -4.85 121.76 119.03 3dx9 s ALA 252 Ca 0.30 2.25 0.05 0.00 0.00 0.00 0.00 51.96 54.55 3dx9 s ALA 252 Cb -0.05 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3dx9 s ALA 252 CO 0.15 -0.36 0.35 -1.58 0.00 0.00 0.00 175.76 174.32 3dx9 s TRP 253 N 1.08 3.45 0.54 0.00 0.52 -1.26 0.38 118.94 123.66 3dx9 s TRP 253 Ca -0.06 -0.01 -0.21 0.00 0.02 0.00 0.00 56.10 55.85 3dx9 s TRP 253 Cb -0.05 -1.58 -0.05 0.00 -1.15 0.00 0.00 33.47 30.64 3dx9 s TRP 253 CO -0.11 0.45 1.26 0.20 0.02 0.00 0.00 176.95 178.77 3dx9 s GLY 254 N -3.90 2.82 -0.36 0.98 0.00 -0.87 -4.96 107.32 101.03 3dx9 s GLY 254 Ca 0.34 1.14 -0.13 0.00 0.00 0.00 0.00 44.72 46.07 3dx9 s GLY 254 CO 0.29 1.60 0.25 0.50 0.00 0.00 0.00 173.10 175.74 3dx9 s ARG 255 N -3.00 3.29 0.55 2.90 1.81 -0.97 -3.96 118.95 119.56 3dx9 s ARG 255 Ca 0.72 -0.79 0.44 0.00 -1.72 0.00 0.00 55.73 54.38 3dx9 s ARG 255 Cb -0.34 -3.84 1.65 0.00 -0.45 0.00 0.00 34.95 31.96 3dx9 s ARG 255 CO 0.40 -0.55 1.67 0.00 -0.68 0.00 0.00 175.30 176.14 3dx9 h ALA 256 N 8.52 3.51 0.00 2.13 0.00 -1.86 -3.39 119.26 128.17 3dx9 h ALA 256 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dx9 h ALA 256 Cb 1.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dx9 h ALA 256 CO 0.66 -1.98 0.00 -0.25 0.00 0.00 0.00 179.25 177.69