#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g08 s LYS 3 N 0.00 1.43 0.05 -1.09 1.02 0.23 -4.93 119.74 116.45 3g08 s LYS 3 Ca 0.00 -0.56 -0.26 0.00 0.02 0.00 0.00 55.97 55.17 3g08 s LYS 3 Cb 0.00 -1.32 -0.05 0.00 -0.52 0.00 0.00 37.83 35.94 3g08 s LYS 3 CO 0.00 0.29 0.82 0.99 -0.92 0.00 0.00 175.35 176.53 3g08 s THR 4 N -0.18 4.71 0.35 2.17 2.01 -1.25 -2.00 115.64 121.45 3g08 s THR 4 Ca 0.02 1.75 -0.28 0.00 0.31 0.00 0.00 61.69 63.49 3g08 s THR 4 Cb -0.08 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 3g08 s THR 4 CO 0.00 0.33 1.30 -2.16 -0.69 0.00 0.00 174.62 173.40 3g08 s PRO 5 N 0.09 4.26 -0.03 4.92 0.04 -1.26 -4.38 135.00 138.64 3g08 s PRO 5 Ca 0.41 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.60 3g08 s PRO 5 Cb -0.21 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3g08 s PRO 5 CO 0.25 -0.25 0.15 -0.65 0.04 0.00 0.00 177.00 176.53 3g08 s GLN 6 N -1.91 3.35 -0.06 4.56 -1.52 0.13 -4.94 119.66 119.27 3g08 s GLN 6 Ca 0.51 -0.32 0.02 0.00 -1.95 0.00 0.00 55.36 53.62 3g08 s GLN 6 Cb -0.39 -3.06 0.02 0.00 -0.22 0.00 0.00 33.01 29.36 3g08 s GLN 6 CO 0.51 0.69 -0.09 0.42 -0.25 0.00 0.00 175.29 176.58 3g08 s ILE 7 N -1.23 0.87 -0.06 1.08 1.01 -1.26 -1.20 121.20 120.42 3g08 s ILE 7 Ca 0.23 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.59 3g08 s ILE 7 Cb -0.12 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3g08 s ILE 7 CO 0.14 0.30 -0.12 -1.10 0.00 0.00 0.00 174.94 174.16 3g08 s GLN 8 N 0.80 1.55 -0.10 2.79 -0.21 -0.46 -4.98 119.66 119.05 3g08 s GLN 8 Ca -0.13 -0.39 0.03 0.00 0.02 0.00 0.00 55.36 54.90 3g08 s GLN 8 Cb -0.15 -1.31 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 3g08 s GLN 8 CO 0.02 0.04 -0.22 0.08 -2.12 0.00 0.00 175.29 173.10 3g08 s VAL 9 N 0.59 2.30 0.07 1.09 1.01 -1.26 -0.50 120.40 123.70 3g08 s VAL 9 Ca -0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 3g08 s VAL 9 Cb -0.15 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.40 3g08 s VAL 9 CO 0.03 0.55 0.57 -0.72 0.00 0.00 0.00 175.10 175.54 3g08 s TYR 10 N 0.23 -0.50 0.09 5.22 1.13 -0.69 -4.73 117.35 118.10 3g08 s TYR 10 Ca -0.14 0.53 -0.06 0.00 -1.41 0.00 0.00 57.07 55.99 3g08 s TYR 10 Cb -0.17 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 3g08 s TYR 10 CO 0.07 -0.71 0.33 -1.54 -2.51 0.00 0.00 175.55 171.20 3g08 s SER 11 N -2.12 6.50 0.17 -0.18 1.04 -1.26 -0.09 113.70 117.75 3g08 s SER 11 Ca -0.04 0.58 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 3g08 s SER 11 Cb -0.00 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 64.08 3g08 s SER 11 CO -0.04 0.14 1.66 -0.09 0.98 0.00 0.00 173.24 175.89 3g08 h ARG 12 N 3.29 0.94 -5.83 4.02 9.65 -1.41 -3.46 114.38 121.58 3g08 h ARG 12 Ca -0.47 -0.25 -0.56 0.00 -1.10 0.00 0.00 59.98 57.60 3g08 h ARG 12 Cb 1.18 -0.11 -0.14 0.00 -1.39 0.00 0.00 29.97 29.51 3g08 h ARG 12 CO 0.70 0.89 -0.70 -1.01 2.80 0.00 0.00 179.97 182.65 3g08 s HIS 13 N -5.22 2.17 0.18 2.20 3.76 -1.26 -5.03 115.29 112.09 3g08 s HIS 13 Ca -0.12 -0.53 -0.33 0.00 -0.15 0.00 0.00 55.06 53.92 3g08 s HIS 13 Cb 0.13 -1.16 -0.14 0.00 1.11 0.00 0.00 32.58 32.52 3g08 s HIS 13 CO 0.82 0.50 1.49 -2.30 -0.85 0.00 0.00 174.74 174.40 3g08 n PRO 14 N -0.65 1.99 -2.31 8.40 -0.02 -1.26 -4.89 135.00 136.26 3g08 n PRO 14 Ca -0.05 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3g08 n PRO 14 Cb 0.62 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3g08 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3g08 s PRO 15 N 0.45 4.41 -0.07 0.52 0.04 -1.26 -5.01 135.00 134.08 3g08 s PRO 15 Ca 0.76 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3g08 s PRO 15 Cb -0.70 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 30.60 3g08 s PRO 15 CO 0.42 -0.26 -0.05 -1.21 0.04 0.00 0.00 177.00 175.94 3g08 s GLU 16 N 0.51 1.09 0.14 4.56 2.02 -1.26 -5.11 118.70 120.65 3g08 s GLU 16 Ca 0.58 -0.14 -0.34 0.00 0.02 0.00 0.00 54.97 55.08 3g08 s GLU 16 Cb -0.33 -1.14 -0.14 0.00 0.10 0.00 0.00 34.13 32.61 3g08 s GLU 16 CO 0.33 -0.16 1.54 0.09 0.02 0.00 0.00 175.26 177.08 3g08 n ASN 17 N 4.47 2.81 0.00 -0.19 3.02 -1.26 -1.43 115.26 122.68 3g08 n ASN 17 Ca -0.17 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 3g08 n ASN 17 Cb 0.51 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 3g08 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g08 n GLY 18 N 3.26 1.36 3.55 7.41 0.00 0.28 -5.00 105.19 116.05 3g08 n GLY 18 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3g08 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g08 s LYS 19 N -0.24 3.82 0.44 1.61 2.20 -0.51 -4.96 119.74 122.09 3g08 s LYS 19 Ca 0.00 -0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 54.93 3g08 s LYS 19 Cb 0.00 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 3g08 s LYS 19 CO 0.00 0.15 1.37 -2.30 -0.36 0.00 0.00 175.35 174.21 3g08 n PRO 20 N 3.89 2.15 -2.73 4.03 -0.02 -1.26 -4.19 135.00 136.87 3g08 n PRO 20 Ca -0.17 0.77 -0.07 0.00 -2.02 0.00 0.00 63.50 62.01 3g08 n PRO 20 Cb 0.52 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3g08 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3g08 n ASN 21 N 0.00 -0.77 -4.01 2.55 2.85 0.11 -4.99 115.26 111.01 3g08 n ASN 21 Ca 0.05 -1.94 -0.23 0.00 -0.11 0.00 0.00 54.58 52.36 3g08 n ASN 21 Cb 0.41 1.39 -0.16 0.00 1.24 0.00 0.00 39.78 42.65 3g08 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3g08 s ILE 22 N -2.61 0.99 -0.18 -1.44 1.01 -1.26 -1.30 121.20 116.40 3g08 s ILE 22 Ca 0.14 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3g08 s ILE 22 Cb -0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3g08 s ILE 22 CO 0.10 0.32 0.04 -0.22 0.00 0.00 0.00 174.94 175.17 3g08 s LEU 23 N 0.57 3.64 -0.05 2.97 2.96 -0.11 -0.91 118.68 127.75 3g08 s LEU 23 Ca -0.11 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3g08 s LEU 23 Cb -0.14 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 3g08 s LEU 23 CO 0.02 0.15 0.08 0.20 -1.32 0.00 0.00 176.35 175.49 3g08 s ASN 24 N 0.49 5.75 -0.21 3.68 0.01 0.87 -1.40 114.94 124.13 3g08 s ASN 24 Ca 0.02 0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 52.37 3g08 s ASN 24 Cb -0.13 -1.70 0.06 0.00 0.41 0.00 0.00 41.25 39.89 3g08 s ASN 24 CO 0.01 0.33 0.00 0.00 -1.51 0.00 0.00 177.10 175.93 3g08 s TYR 26 N 1.68 3.12 -0.16 0.00 5.04 0.34 -0.44 117.35 126.93 3g08 s TYR 26 Ca -0.03 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 3g08 s TYR 26 Cb -0.18 -2.23 0.00 0.00 0.35 0.00 0.00 41.96 39.91 3g08 s TYR 26 CO -0.07 -0.26 -0.16 0.08 -1.34 0.00 0.00 175.55 173.79 3g08 s VAL 27 N 1.45 2.54 0.28 3.14 1.01 -0.27 -1.36 120.40 127.20 3g08 s VAL 27 Ca 0.06 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3g08 s VAL 27 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3g08 s VAL 27 CO 0.04 0.52 0.12 0.42 0.00 0.00 0.00 175.10 176.20 3g08 s THR 28 N 0.93 0.48 -1.32 3.92 -4.23 -0.34 -1.15 115.64 113.94 3g08 s THR 28 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3g08 s THR 28 Cb -0.15 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3g08 s THR 28 CO -0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 3g08 n GLN 29 N -0.54 -1.05 -4.27 3.99 1.13 -0.72 -0.70 117.38 115.23 3g08 n GLN 29 Ca 0.00 0.81 -0.23 0.00 -1.94 0.00 0.00 57.00 55.64 3g08 n GLN 29 Cb 0.66 -5.01 -0.07 0.00 0.11 0.00 0.00 30.24 25.93 3g08 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3g08 s PHE 30 N -2.62 2.73 -0.28 1.08 -0.71 -1.22 -3.96 117.98 113.00 3g08 s PHE 30 Ca 0.00 -0.22 -0.21 0.00 -1.04 0.00 0.00 56.93 55.46 3g08 s PHE 30 Cb 0.00 -1.24 0.12 0.00 -1.21 0.00 0.00 43.02 40.69 3g08 s PHE 30 CO 0.00 0.60 0.92 -1.58 -1.34 0.00 0.00 175.22 173.82 3g08 s HIS 31 N -2.31 -0.64 1.05 3.49 2.46 -0.85 -1.81 115.29 116.68 3g08 s HIS 31 Ca 0.32 1.41 -0.15 0.00 0.47 0.00 0.00 55.06 57.11 3g08 s HIS 31 Cb -0.06 0.39 0.21 0.00 -0.13 0.00 0.00 32.58 32.99 3g08 s HIS 31 CO 0.20 -0.31 1.12 -1.25 -2.47 0.00 0.00 174.74 172.03 3g08 s PRO 32 N 0.81 0.02 0.00 2.88 0.04 -1.26 -0.60 135.00 136.88 3g08 s PRO 32 Ca -0.03 0.22 0.22 0.00 0.04 0.00 0.00 61.00 61.45 3g08 s PRO 32 Cb -0.05 -1.71 0.94 0.00 0.04 0.00 0.00 34.50 33.72 3g08 s PRO 32 CO -0.10 -2.94 1.70 -0.35 0.04 0.00 0.00 177.00 175.35 3g08 n PRO 33 N -4.27 0.00 -2.22 0.56 -0.04 -1.26 -4.76 135.00 123.01 3g08 n PRO 33 Ca 0.08 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 3g08 n PRO 33 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3g08 n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3g08 s HIS 34 N -3.00 2.41 -0.02 0.54 3.76 -1.26 -4.97 115.29 112.76 3g08 s HIS 34 Ca 0.11 0.62 -0.23 0.00 -0.15 0.00 0.00 55.06 55.40 3g08 s HIS 34 Cb 0.14 -3.73 0.05 0.00 1.11 0.00 0.00 32.58 30.15 3g08 s HIS 34 CO 0.40 -2.71 0.51 -1.50 -0.85 0.00 0.00 174.74 170.59 3g08 s ILE 35 N 3.91 0.03 -0.10 0.60 2.07 -1.26 -4.58 121.20 121.88 3g08 s ILE 35 Ca 0.64 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.68 3g08 s ILE 35 Cb -0.27 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.48 3g08 s ILE 35 CO 0.22 -0.13 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.25 3g08 s GLU 36 N -1.50 2.42 -0.12 3.50 2.12 -0.48 -5.00 118.70 119.65 3g08 s GLU 36 Ca -0.11 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.59 3g08 s GLU 36 Cb -0.02 -1.94 0.01 0.00 0.26 0.00 0.00 34.13 32.44 3g08 s GLU 36 CO 0.06 0.04 -0.16 0.42 -0.54 0.00 0.00 175.26 175.08 3g08 s ILE 37 N 0.69 1.57 0.01 -3.70 1.01 -1.26 -0.56 121.20 118.95 3g08 s ILE 37 Ca -0.13 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3g08 s ILE 37 Cb -0.16 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3g08 s ILE 37 CO 0.03 0.46 -0.24 -1.10 0.00 0.00 0.00 174.94 174.09 3g08 s GLN 38 N 1.02 1.81 -0.06 2.79 -0.21 0.52 -4.99 119.66 120.54 3g08 s GLN 38 Ca -0.05 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.40 3g08 s GLN 38 Cb -0.15 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 3g08 s GLN 38 CO -0.03 0.49 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.97 3g08 s MET 39 N -0.81 2.85 0.01 2.91 -1.94 -1.26 -0.34 119.30 120.72 3g08 s MET 39 Ca 0.09 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.63 3g08 s MET 39 Cb -0.09 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 3g08 s MET 39 CO 0.00 0.67 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.97 3g08 s LEU 40 N -1.05 2.08 -0.17 -0.03 1.43 0.78 -0.57 118.68 121.16 3g08 s LEU 40 Ca 0.15 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3g08 s LEU 40 Cb -0.11 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.14 3g08 s LEU 40 CO 0.04 0.21 -0.20 -0.75 0.23 0.00 0.00 176.35 175.88 3g08 s LYS 41 N -0.71 3.00 -1.52 1.70 2.20 -0.10 -1.41 119.74 122.90 3g08 s LYS 41 Ca 0.07 -0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 54.70 3g08 s LYS 41 Cb -0.08 -2.54 0.12 0.00 -1.51 0.00 0.00 37.83 33.82 3g08 s LYS 41 CO 0.00 -0.16 0.71 0.09 -0.36 0.00 0.00 175.35 175.63 3g08 n ASN 42 N 4.49 -3.64 0.00 1.43 3.02 0.49 -1.24 115.26 119.81 3g08 n ASN 42 Ca -0.21 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3g08 n ASN 42 Cb 0.50 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 3g08 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g08 n GLY 43 N -1.34 1.00 3.62 7.41 0.00 -1.26 -5.03 105.19 109.58 3g08 n GLY 43 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3g08 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g08 s LYS 44 N -0.06 2.74 0.28 1.61 0.00 -0.37 -5.04 119.74 118.90 3g08 s LYS 44 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 55.97 55.09 3g08 s LYS 44 Cb 0.00 -2.62 -0.12 0.00 0.00 0.00 0.00 37.83 35.09 3g08 s LYS 44 CO 0.00 0.65 1.57 1.17 0.00 0.00 0.00 175.35 178.74 3g08 n LYS 45 N 1.88 2.60 -2.90 1.78 4.81 -1.26 -0.92 118.16 124.14 3g08 n LYS 45 Ca -0.17 0.93 -0.41 0.00 -0.87 0.00 0.00 58.31 57.79 3g08 n LYS 45 Cb 0.53 -2.69 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 3g08 n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3g08 s ILE 46 N 0.04 4.91 0.13 3.15 1.01 0.26 -4.84 121.20 125.86 3g08 s ILE 46 Ca 0.65 1.63 -0.02 0.00 0.00 0.00 0.00 60.65 62.91 3g08 s ILE 46 Cb -0.52 -4.13 -0.18 0.00 0.01 0.00 0.00 42.46 37.63 3g08 s ILE 46 CO 0.48 0.07 1.31 1.55 0.00 0.00 0.00 174.94 178.35 3g08 h PRO 47 N 7.21 0.34 -3.90 2.79 0.13 -1.93 -3.40 132.00 133.24 3g08 h PRO 47 Ca -0.32 -0.38 -0.76 0.00 -0.87 0.00 0.00 66.00 63.67 3g08 h PRO 47 Cb 1.15 0.11 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 3g08 h PRO 47 CO 0.82 1.07 -0.12 0.15 -0.23 0.00 0.00 178.00 179.69 3g08 s LYS 48 N -3.19 3.12 -0.10 0.86 3.01 -1.26 -5.01 119.74 117.16 3g08 s LYS 48 Ca -0.05 -2.24 0.03 0.00 -1.01 0.00 0.00 55.97 52.70 3g08 s LYS 48 Cb 0.09 -4.19 0.00 0.00 -1.01 0.00 0.00 37.83 32.72 3g08 s LYS 48 CO 0.86 -1.26 -0.22 0.08 0.51 0.00 0.00 175.35 175.32 3g08 s VAL 49 N 0.55 1.93 0.07 3.17 1.01 -1.26 -4.62 120.40 121.24 3g08 s VAL 49 Ca 0.13 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3g08 s VAL 49 Cb -0.18 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 3g08 s VAL 49 CO -0.05 0.53 0.37 -1.61 0.00 0.00 0.00 175.10 174.34 3g08 s GLU 50 N 0.49 3.71 -0.02 2.72 0.41 0.01 -4.92 118.70 121.11 3g08 s GLU 50 Ca -0.16 0.10 0.07 0.00 -0.41 0.00 0.00 54.97 54.57 3g08 s GLU 50 Cb -0.17 -3.01 -0.02 0.00 -1.78 0.00 0.00 34.13 29.15 3g08 s GLU 50 CO 0.06 0.58 -0.23 -1.64 -0.49 0.00 0.00 175.26 173.54 3g08 s MET 51 N -1.92 1.85 0.94 1.61 -1.94 -1.26 -0.94 119.30 117.64 3g08 s MET 51 Ca 0.32 -0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 53.37 3g08 s MET 51 Cb -0.14 -1.79 0.15 0.00 2.01 0.00 0.00 34.83 35.07 3g08 s MET 51 CO 0.18 0.49 1.10 -1.54 -0.01 0.00 0.00 175.02 175.24 3g08 s SER 52 N -0.53 3.19 0.33 3.03 1.04 0.36 -5.01 113.70 116.11 3g08 s SER 52 Ca 0.09 1.22 -0.28 0.00 0.48 0.00 0.00 55.95 57.46 3g08 s SER 52 Cb -0.09 -1.88 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 3g08 s SER 52 CO -0.01 -2.78 1.25 -1.81 0.98 0.00 0.00 173.24 170.87 3g08 s ASP 53 N -3.61 6.81 0.47 7.02 1.01 -1.26 -4.72 116.67 122.38 3g08 s ASP 53 Ca 0.64 2.57 -0.23 0.00 0.71 0.00 0.00 52.55 56.24 3g08 s ASP 53 Cb -0.17 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.05 3g08 s ASP 53 CO 0.56 -0.49 1.18 -0.32 0.21 0.00 0.00 175.17 176.31 3g08 s MET 54 N -1.81 3.71 0.27 8.23 1.75 -1.26 -4.82 119.30 125.36 3g08 s MET 54 Ca 0.49 1.82 0.06 0.00 -1.25 0.00 0.00 55.69 56.81 3g08 s MET 54 Cb -0.37 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.88 3g08 s MET 54 CO 0.49 -0.60 0.24 0.45 -0.65 0.00 0.00 175.02 174.94 3g08 n SER 55 N -0.52 -0.61 -3.89 1.11 2.88 -0.84 -5.02 113.62 106.74 3g08 n SER 55 Ca 0.07 -2.75 -0.09 0.00 -1.33 0.00 0.00 58.87 54.77 3g08 n SER 55 Cb 0.48 1.40 -0.08 0.00 -0.75 0.00 0.00 64.21 65.25 3g08 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3g08 s PHE 56 N -3.11 0.16 0.66 0.66 -0.12 -1.26 -1.32 117.98 113.66 3g08 s PHE 56 Ca 0.32 -0.52 -0.02 0.00 -0.05 0.00 0.00 56.93 56.66 3g08 s PHE 56 Cb 0.01 -0.09 0.08 0.00 -0.63 0.00 0.00 43.02 42.39 3g08 s PHE 56 CO 0.22 -0.46 0.93 -1.12 -0.05 0.00 0.00 175.22 174.74 3g08 s SER 57 N -2.50 4.74 0.36 1.98 0.01 0.08 -4.93 113.70 113.45 3g08 s SER 57 Ca 0.00 -0.04 0.16 0.00 1.31 0.00 0.00 55.95 57.38 3g08 s SER 57 Cb 0.02 -0.57 1.06 0.00 0.21 0.00 0.00 66.02 66.74 3g08 s SER 57 CO -0.08 -1.57 1.72 0.07 0.41 0.00 0.00 173.24 173.79 3g08 h LYS 58 N -0.36 0.40 -0.13 12.44 -0.00 -2.02 0.64 116.57 127.54 3g08 h LYS 58 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 3g08 h LYS 58 Cb 1.29 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3g08 h LYS 58 CO 0.49 0.27 0.00 -0.40 -0.00 0.00 0.00 179.45 179.80 3g08 n ASP 59 N -4.81 0.74 0.00 7.07 5.68 -1.26 -4.88 116.55 119.09 3g08 n ASP 59 Ca 0.28 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 3g08 n ASP 59 Cb 0.91 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 3g08 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3g08 n TRP 60 N -0.11 0.00 -2.26 2.11 7.02 0.22 -5.02 117.44 119.40 3g08 n TRP 60 Ca 0.05 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 3g08 n TRP 60 Cb 0.12 -0.14 -0.00 0.00 -2.42 0.00 0.00 31.31 28.86 3g08 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3g08 s SER 61 N -3.62 5.87 0.40 -0.99 1.04 -1.26 -4.64 113.70 110.50 3g08 s SER 61 Ca 0.00 2.01 -0.11 0.00 0.48 0.00 0.00 55.95 58.32 3g08 s SER 61 Cb 0.00 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 3g08 s SER 61 CO 0.00 -1.11 0.77 -0.36 0.98 0.00 0.00 173.24 173.52 3g08 s PHE 62 N -2.03 3.46 0.07 5.02 0.40 -0.75 -0.74 117.98 123.41 3g08 s PHE 62 Ca 0.69 1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 57.98 3g08 s PHE 62 Cb -0.19 -2.46 0.01 0.00 0.51 0.00 0.00 43.02 40.88 3g08 s PHE 62 CO 0.28 -0.09 0.25 1.52 0.70 0.00 0.00 175.22 177.88 3g08 s TYR 63 N -2.33 0.02 -0.06 0.36 -0.85 -0.44 -1.75 117.35 112.30 3g08 s TYR 63 Ca 0.52 -0.31 -0.31 0.00 -0.52 0.00 0.00 57.07 56.44 3g08 s TYR 63 Cb -0.10 0.03 0.07 0.00 0.38 0.00 0.00 41.96 42.34 3g08 s TYR 63 CO 0.30 -0.54 0.70 -1.50 -1.52 0.00 0.00 175.55 172.99 3g08 s ILE 64 N -3.27 0.00 -0.17 -3.49 2.07 -0.30 -1.98 121.20 114.06 3g08 s ILE 64 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3g08 s ILE 64 Cb 0.02 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 3g08 s ILE 64 CO -0.08 0.00 -0.13 -0.22 -1.91 0.00 0.00 174.94 172.60 3g08 s LEU 65 N -1.18 2.56 0.01 8.50 2.96 -1.26 -1.12 118.68 129.15 3g08 s LEU 65 Ca -0.10 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3g08 s LEU 65 Cb -0.00 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3g08 s LEU 65 CO 0.10 0.06 0.12 0.00 -1.32 0.00 0.00 176.35 175.30 3g08 s ALA 66 N 0.99 3.72 0.11 5.97 0.00 0.42 -0.49 121.76 132.48 3g08 s ALA 66 Ca -0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 3g08 s ALA 66 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.32 3g08 s ALA 66 CO -0.02 0.72 0.33 -3.38 0.00 0.00 0.00 175.76 173.41 3g08 s HIS 67 N -1.27 -0.09 -0.07 0.00 -3.43 -0.12 -0.51 115.29 109.80 3g08 s HIS 67 Ca 0.25 -0.26 -0.13 0.00 -0.80 0.00 0.00 55.06 54.12 3g08 s HIS 67 Cb -0.12 0.15 0.03 0.00 -1.43 0.00 0.00 32.58 31.21 3g08 s HIS 67 CO 0.17 -0.65 0.32 -0.08 -2.00 0.00 0.00 174.74 172.50 3g08 s THR 68 N -3.79 0.03 0.27 -5.38 -1.32 -0.49 -0.81 115.64 104.15 3g08 s THR 68 Ca 0.03 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 3g08 s THR 68 Cb 0.03 -0.53 -0.10 0.00 -1.51 0.00 0.00 72.50 70.39 3g08 s THR 68 CO -0.11 -0.13 1.32 -1.61 -2.21 0.00 0.00 174.62 171.88 3g08 s GLU 69 N -0.54 4.37 0.07 7.08 0.41 -1.26 -0.93 118.70 127.91 3g08 s GLU 69 Ca -0.06 2.15 -0.14 0.00 -0.41 0.00 0.00 54.97 56.50 3g08 s GLU 69 Cb -0.04 -3.13 0.02 0.00 -1.78 0.00 0.00 34.13 29.21 3g08 s GLU 69 CO 0.02 -0.22 0.33 -0.59 -0.49 0.00 0.00 175.26 174.32 3g08 s PHE 70 N -0.54 -0.13 -0.36 1.61 -0.71 -0.42 -4.87 117.98 112.56 3g08 s PHE 70 Ca 0.53 -0.09 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 3g08 s PHE 70 Cb -0.39 0.14 0.11 0.00 -1.21 0.00 0.00 43.02 41.67 3g08 s PHE 70 CO 0.46 -0.58 0.10 0.99 -1.34 0.00 0.00 175.22 174.84 3g08 s THR 71 N -3.09 2.03 0.48 -4.49 2.01 -1.26 0.07 115.64 111.39 3g08 s THR 71 Ca -0.01 -2.33 -0.24 0.00 0.31 0.00 0.00 61.69 59.42 3g08 s THR 71 Cb 0.01 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.95 3g08 s THR 71 CO -0.07 -0.65 1.42 -2.16 -0.69 0.00 0.00 174.62 172.47 3g08 s PRO 72 N 0.84 3.54 0.34 4.92 0.04 -1.26 -4.73 135.00 138.69 3g08 s PRO 72 Ca 0.12 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3g08 s PRO 72 Cb -0.20 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 3g08 s PRO 72 CO -0.10 -0.93 0.09 0.95 0.04 0.00 0.00 177.00 177.06 3g08 s THR 73 N -1.22 0.86 0.52 1.26 -4.23 -1.26 -0.56 115.64 111.01 3g08 s THR 73 Ca 0.64 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 3g08 s THR 73 Cb -0.44 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.07 3g08 s THR 73 CO 0.55 0.00 2.14 1.05 -0.54 0.00 0.00 174.62 177.82 3g08 h GLU 74 N 2.06 0.00 -0.00 3.99 9.09 -1.98 -3.28 114.58 124.46 3g08 h GLU 74 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 3g08 h GLU 74 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3g08 h GLU 74 CO 0.63 0.04 -0.05 0.25 0.05 0.00 0.00 179.01 179.94 3g08 n THR 75 N -4.28 0.00 -2.73 -1.06 -2.24 -1.26 -5.01 114.28 97.69 3g08 n THR 75 Ca -0.03 -0.48 -0.39 0.00 -2.27 0.00 0.00 64.05 60.88 3g08 n THR 75 Cb 0.13 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 3g08 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g08 s ASP 76 N -0.64 7.54 0.03 3.42 1.01 -1.24 -5.04 116.67 121.75 3g08 s ASP 76 Ca 0.02 1.95 0.05 0.00 0.71 0.00 0.00 52.55 55.29 3g08 s ASP 76 Cb 0.02 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3g08 s ASP 76 CO 0.06 0.08 -0.12 0.42 0.21 0.00 0.00 175.17 175.82 3g08 s THR 77 N -1.28 3.24 0.10 -1.27 -4.23 -1.26 -4.78 115.64 106.16 3g08 s THR 77 Ca 0.43 -1.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3g08 s THR 77 Cb -0.25 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 3g08 s THR 77 CO 0.31 0.33 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.24 3g08 s TYR 78 N -0.99 1.54 0.20 3.99 1.51 -1.26 -0.38 117.35 121.95 3g08 s TYR 78 Ca 0.17 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 3g08 s TYR 78 Cb -0.11 -0.83 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 3g08 s TYR 78 CO 0.07 0.16 0.47 0.00 -1.11 0.00 0.00 175.55 175.14 3g08 s ALA 79 N -1.44 -0.62 -0.06 3.71 0.00 -0.50 -1.05 121.76 121.80 3g08 s ALA 79 Ca 0.05 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3g08 s ALA 79 Cb -0.09 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3g08 s ALA 79 CO 0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 175.76 174.85 3g08 s ARG 81 N 0.33 1.94 -0.04 0.00 3.52 0.54 -1.19 118.95 124.04 3g08 s ARG 81 Ca -0.10 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 3g08 s ARG 81 Cb -0.14 -1.59 -0.00 0.00 -1.56 0.00 0.00 34.95 31.66 3g08 s ARG 81 CO 0.03 0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 174.56 3g08 s VAL 82 N 0.42 1.34 -0.12 7.11 1.01 0.03 -0.35 120.40 129.84 3g08 s VAL 82 Ca -0.12 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3g08 s VAL 82 Cb -0.15 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3g08 s VAL 82 CO 0.04 0.39 -0.15 -0.54 0.00 0.00 0.00 175.10 174.84 3g08 s LYS 83 N 0.12 3.29 -0.08 2.72 1.02 0.27 -1.32 119.74 125.77 3g08 s LYS 83 Ca -0.05 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 3g08 s LYS 83 Cb -0.12 -2.56 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 3g08 s LYS 83 CO 0.02 0.22 0.44 -1.58 -0.92 0.00 0.00 175.35 173.53 3g08 s HIS 84 N 0.31 -0.39 0.56 3.18 2.46 -1.26 -1.38 115.29 118.77 3g08 s HIS 84 Ca -0.12 0.77 0.28 0.00 0.47 0.00 0.00 55.06 56.46 3g08 s HIS 84 Cb -0.16 0.19 1.47 0.00 -0.13 0.00 0.00 32.58 33.94 3g08 s HIS 84 CO 0.06 -0.38 1.96 0.00 -2.47 0.00 0.00 174.74 173.91 3g08 h ALA 85 N 4.22 2.37 0.00 1.58 0.00 -1.94 -1.51 119.26 123.98 3g08 h ALA 85 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g08 h ALA 85 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3g08 h ALA 85 CO 0.34 -0.70 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 3g08 n SER 86 N -4.09 0.63 -4.05 0.00 3.41 -1.26 -4.71 113.62 103.55 3g08 n SER 86 Ca 0.10 0.68 -0.25 0.00 -0.26 0.00 0.00 58.87 59.13 3g08 n SER 86 Cb 0.65 -0.80 -0.16 0.00 -0.26 0.00 0.00 64.21 63.63 3g08 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3g08 s MET 87 N -3.35 1.78 0.31 4.33 1.00 -0.57 -4.92 119.30 117.88 3g08 s MET 87 Ca 0.03 -0.46 0.12 0.00 0.00 0.00 0.00 55.69 55.38 3g08 s MET 87 Cb 0.09 -1.47 0.47 0.00 0.00 0.00 0.00 34.83 33.92 3g08 s MET 87 CO 0.35 0.07 1.67 0.00 0.00 0.00 0.00 175.02 177.11 3g08 h ALA 88 N 6.84 1.05 -3.91 3.03 0.00 -1.84 -3.42 119.26 121.01 3g08 h ALA 88 Ca -0.30 -0.49 -0.68 0.00 0.00 0.00 0.00 54.91 53.43 3g08 h ALA 88 Cb 1.19 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 3g08 h ALA 88 CO 0.47 0.67 -0.81 -1.21 0.00 0.00 0.00 179.25 178.38 3g08 s GLU 89 N -3.71 2.69 0.49 0.00 0.41 -1.26 -5.10 118.70 112.22 3g08 s GLU 89 Ca -0.01 -0.77 -0.23 0.00 -0.41 0.00 0.00 54.97 53.54 3g08 s GLU 89 Cb 0.13 -2.35 -0.08 0.00 -1.78 0.00 0.00 34.13 30.05 3g08 s GLU 89 CO 0.74 0.46 1.23 -2.30 -0.49 0.00 0.00 175.26 174.90 3g08 n PRO 90 N 2.78 1.66 -3.87 0.39 -0.02 -1.26 -4.93 135.00 129.74 3g08 n PRO 90 Ca -0.17 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 3g08 n PRO 90 Cb 0.52 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3g08 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3g08 s LYS 91 N -2.47 3.94 -0.07 -0.52 2.20 -0.44 -4.91 119.74 117.48 3g08 s LYS 91 Ca 0.66 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 3g08 s LYS 91 Cb -0.47 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3g08 s LYS 91 CO 0.54 0.39 -0.20 0.99 -0.36 0.00 0.00 175.35 176.70 3g08 s THR 92 N 0.08 2.49 -0.11 3.43 2.01 -1.26 -0.79 115.64 121.49 3g08 s THR 92 Ca 0.08 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3g08 s THR 92 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.45 3g08 s THR 92 CO -0.00 0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.63 3g08 s VAL 93 N -0.23 1.66 0.25 3.82 1.01 -0.33 -4.98 120.40 121.59 3g08 s VAL 93 Ca -0.01 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3g08 s VAL 93 Cb -0.13 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 3g08 s VAL 93 CO 0.03 0.47 0.70 -0.31 0.00 0.00 0.00 175.10 175.99 3g08 s TYR 94 N 0.79 3.52 0.12 5.22 1.51 -1.26 -0.62 117.35 126.63 3g08 s TYR 94 Ca -0.10 1.25 -0.31 0.00 -1.01 0.00 0.00 57.07 56.90 3g08 s TYR 94 Cb -0.16 -2.54 -0.08 0.00 -0.11 0.00 0.00 41.96 39.07 3g08 s TYR 94 CO 0.01 0.25 1.45 -0.46 -1.11 0.00 0.00 175.55 175.69 3g08 s TRP 95 N -1.71 3.14 -0.55 2.71 -0.00 -0.21 -4.88 118.94 117.44 3g08 s TRP 95 Ca 0.47 0.82 -0.27 0.00 -0.00 0.00 0.00 56.10 57.12 3g08 s TRP 95 Cb -0.14 -3.77 0.03 0.00 -0.00 0.00 0.00 33.47 29.60 3g08 s TRP 95 CO 0.19 -2.76 1.10 -0.51 -0.00 0.00 0.00 176.95 174.98 3g08 s ASP 96 N 1.20 6.45 -0.15 5.86 1.01 -1.26 -4.75 116.67 125.03 3g08 s ASP 96 Ca 0.67 0.05 -0.14 0.00 0.71 0.00 0.00 52.55 53.84 3g08 s ASP 96 Cb -0.39 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 40.98 3g08 s ASP 96 CO 0.30 -1.35 0.30 -0.60 0.21 0.00 0.00 175.17 174.03 3g08 s ARG 97 N 4.55 4.20 0.00 8.23 6.06 -1.26 -5.06 118.95 135.68 3g08 s ARG 97 Ca 0.40 0.12 0.03 0.00 -2.50 0.00 0.00 55.73 53.78 3g08 s ARG 97 Cb -0.09 -3.40 0.02 0.00 0.06 0.00 0.00 34.95 31.54 3g08 s ARG 97 CO 0.25 0.29 0.58 -3.47 -2.50 0.00 0.00 175.30 170.45