#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg9 s ILE 2 N 0.00 0.90 -0.06 1.12 1.01 -1.26 -5.14 121.20 117.77 1cg9 s ILE 2 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1cg9 s ILE 2 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1cg9 s ILE 2 CO 0.00 0.28 -0.15 -1.10 0.00 0.00 0.00 174.94 173.97 1cg9 s GLN 3 N 0.27 1.83 -0.04 2.79 -0.21 -1.26 -4.28 119.66 118.75 1cg9 s GLN 3 Ca -0.05 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.84 1cg9 s GLN 3 Cb -0.10 -1.51 0.01 0.00 1.00 0.00 0.00 33.01 32.41 1cg9 s GLN 3 CO 0.01 0.11 -0.09 1.03 -2.12 0.00 0.00 175.29 174.22 1cg9 s ARG 4 N 0.44 1.15 0.19 2.91 0.52 0.14 -4.93 118.95 119.36 1cg9 s ARG 4 Ca -0.12 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1cg9 s ARG 4 Cb -0.14 -1.03 -0.08 0.00 0.52 0.00 0.00 34.95 34.21 1cg9 s ARG 4 CO 0.04 0.05 1.01 -0.08 0.02 0.00 0.00 175.30 176.33 1cg9 s THR 5 N 0.47 4.06 0.33 0.02 -1.32 -1.26 -2.36 115.64 115.58 1cg9 s THR 5 Ca -0.08 1.89 -0.28 0.00 -1.21 0.00 0.00 61.69 62.01 1cg9 s THR 5 Cb -0.12 -4.21 -0.10 0.00 -1.51 0.00 0.00 72.50 66.57 1cg9 s THR 5 CO 0.01 0.38 1.20 -2.16 -2.21 0.00 0.00 174.62 171.84 1cg9 s PRO 6 N -0.69 4.40 0.03 7.08 0.04 -1.26 -4.40 135.00 140.20 1cg9 s PRO 6 Ca 0.45 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 1cg9 s PRO 6 Cb -0.27 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1cg9 s PRO 6 CO 0.33 -0.06 0.43 0.15 0.04 0.00 0.00 177.00 177.89 1cg9 s LYS 7 N -1.77 3.90 0.00 4.56 1.02 0.08 -4.90 119.74 122.63 1cg9 s LYS 7 Ca 0.49 0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.93 1cg9 s LYS 7 Cb -0.35 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1cg9 s LYS 7 CO 0.45 0.64 -0.19 0.42 -0.92 0.00 0.00 175.35 175.75 1cg9 s ILE 8 N -1.18 1.55 -0.07 2.17 1.01 -1.26 -1.51 121.20 121.90 1cg9 s ILE 8 Ca 0.27 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1cg9 s ILE 8 Cb -0.16 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.04 1cg9 s ILE 8 CO 0.15 0.36 0.05 -1.10 0.00 0.00 0.00 174.94 174.40 1cg9 s GLN 9 N -0.67 0.08 -0.22 2.79 -0.21 -0.07 -4.97 119.66 116.39 1cg9 s GLN 9 Ca 0.07 0.23 -0.05 0.00 0.02 0.00 0.00 55.36 55.63 1cg9 s GLN 9 Cb -0.08 -0.86 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 1cg9 s GLN 9 CO -0.00 -0.39 0.00 0.08 -2.12 0.00 0.00 175.29 172.86 1cg9 s VAL 10 N 2.12 3.87 0.31 1.09 1.01 -1.26 -0.28 120.40 127.27 1cg9 s VAL 10 Ca 0.04 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1cg9 s VAL 10 Cb -0.13 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1cg9 s VAL 10 CO -0.05 0.41 0.66 -0.72 0.00 0.00 0.00 175.10 175.41 1cg9 s TYR 11 N 1.25 0.13 0.19 5.22 1.13 -0.29 -4.57 117.35 120.41 1cg9 s TYR 11 Ca 0.04 -0.61 0.07 0.00 -1.41 0.00 0.00 57.07 55.15 1cg9 s TYR 11 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1cg9 s TYR 11 CO 0.01 -1.27 0.08 -1.54 -2.51 0.00 0.00 175.55 170.32 1cg9 s SER 12 N -3.01 5.14 0.32 -0.18 1.04 -1.26 -0.10 113.70 115.64 1cg9 s SER 12 Ca 0.17 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1cg9 s SER 12 Cb -0.04 -1.21 0.54 0.00 0.10 0.00 0.00 66.02 65.40 1cg9 s SER 12 CO 0.10 0.05 1.75 -0.09 0.98 0.00 0.00 173.24 176.02 1cg9 h ARG 13 N 2.30 0.19 -5.00 4.02 2.43 -1.72 -3.45 114.38 113.15 1cg9 h ARG 13 Ca -0.47 -0.08 -0.33 0.00 -0.81 0.00 0.00 59.98 58.29 1cg9 h ARG 13 Cb 1.21 -0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.58 1cg9 h ARG 13 CO 0.61 0.54 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.87 1cg9 s HIS 14 N -4.20 1.11 -0.13 2.20 3.76 -1.26 -5.04 115.29 111.72 1cg9 s HIS 14 Ca -0.04 -0.66 -0.37 0.00 -0.15 0.00 0.00 55.06 53.84 1cg9 s HIS 14 Cb 0.14 -0.60 -0.14 0.00 1.11 0.00 0.00 32.58 33.09 1cg9 s HIS 14 CO 0.76 0.02 1.74 -2.30 -0.85 0.00 0.00 174.74 174.11 1cg9 n PRO 15 N 0.46 1.65 -1.69 8.40 -0.02 -1.26 -4.80 135.00 137.75 1cg9 n PRO 15 Ca -0.15 0.60 -0.50 0.00 -2.02 0.00 0.00 63.50 61.43 1cg9 n PRO 15 Cb 0.58 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1cg9 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cg9 n ALA 16 N 5.42 0.64 -3.97 3.55 0.00 -1.26 -4.96 120.51 119.92 1cg9 n ALA 16 Ca 0.23 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 1cg9 n ALA 16 Cb 0.22 -2.43 -0.15 0.00 0.00 0.00 0.00 19.45 17.08 1cg9 n ALA 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1cg9 s GLU 17 N 3.86 1.70 -0.34 0.00 1.03 -1.26 -5.08 118.70 118.61 1cg9 s GLU 17 Ca 0.94 -1.25 -0.41 0.00 0.03 0.00 0.00 54.97 54.28 1cg9 s GLU 17 Cb -0.78 -2.73 -0.16 0.00 -0.80 0.00 0.00 34.13 29.66 1cg9 s GLU 17 CO 0.54 -0.68 1.79 0.09 -1.33 0.00 0.00 175.26 175.68 1cg9 n ASN 18 N 4.55 2.09 0.00 0.83 3.02 -1.26 -1.96 115.26 122.53 1cg9 n ASN 18 Ca -0.09 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 1cg9 n ASN 18 Cb 0.43 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1cg9 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cg9 n GLY 19 N 4.60 2.52 3.87 7.41 0.00 -0.54 -5.01 105.19 118.04 1cg9 n GLY 19 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1cg9 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cg9 s LYS 20 N -0.27 3.20 0.39 1.61 1.02 -0.83 -4.94 119.74 119.93 1cg9 s LYS 20 Ca 0.00 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 55.06 1cg9 s LYS 20 Cb 0.00 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1cg9 s LYS 20 CO 0.00 0.53 1.34 -1.12 -0.92 0.00 0.00 175.35 175.18 1cg9 s SER 21 N -2.95 6.36 0.25 2.83 0.01 -1.26 -4.00 113.70 114.95 1cg9 s SER 21 Ca 0.33 2.73 -0.06 0.00 1.31 0.00 0.00 55.95 60.26 1cg9 s SER 21 Cb -0.11 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.49 1cg9 s SER 21 CO 0.26 -0.82 0.43 -3.20 0.41 0.00 0.00 173.24 170.32 1cg9 n ASN 22 N 0.27 -1.23 -4.10 2.44 2.85 0.45 -5.00 115.26 110.93 1cg9 n ASN 22 Ca 0.03 -2.18 -0.28 0.00 -0.11 0.00 0.00 54.58 52.05 1cg9 n ASN 22 Cb 0.43 2.15 -0.17 0.00 1.24 0.00 0.00 39.78 43.42 1cg9 n ASN 22 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1cg9 s PHE 23 N -4.02 1.90 -0.30 1.20 0.40 -1.26 -0.75 117.98 115.14 1cg9 s PHE 23 Ca 0.15 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.58 1cg9 s PHE 23 Cb -0.02 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1cg9 s PHE 23 CO 0.11 -0.33 0.42 -1.17 0.70 0.00 0.00 175.22 174.95 1cg9 s LEU 24 N 0.53 4.20 -0.07 -0.37 2.96 -0.06 -1.68 118.68 124.19 1cg9 s LEU 24 Ca -0.16 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1cg9 s LEU 24 Cb -0.17 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1cg9 s LEU 24 CO 0.06 -0.31 -0.07 0.20 -1.32 0.00 0.00 176.35 174.91 1cg9 s ASN 25 N 1.68 4.61 -0.23 3.68 0.01 0.85 -2.23 114.94 123.31 1cg9 s ASN 25 Ca 0.16 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.28 1cg9 s ASN 25 Cb -0.16 -1.20 0.06 0.00 0.41 0.00 0.00 41.25 40.36 1cg9 s ASN 25 CO 0.11 0.35 -0.05 0.00 -1.51 0.00 0.00 177.10 175.99 1cg9 s TYR 27 N 1.40 3.18 -0.12 0.00 5.04 0.62 -0.97 117.35 126.50 1cg9 s TYR 27 Ca -0.06 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1cg9 s TYR 27 Cb -0.19 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 1cg9 s TYR 27 CO -0.06 -0.35 -0.14 0.14 -1.34 0.00 0.00 175.55 173.80 1cg9 s VAL 28 N 1.67 2.99 0.36 3.14 -7.23 -0.60 -0.89 120.40 119.84 1cg9 s VAL 28 Ca 0.06 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1cg9 s VAL 28 Cb -0.17 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.54 1cg9 s VAL 28 CO 0.08 0.53 0.50 -1.54 -0.31 0.00 0.00 175.10 174.36 1cg9 n SER 29 N 3.40 -1.38 -1.11 4.85 3.41 -0.57 -0.88 113.62 121.34 1cg9 n SER 29 Ca -0.18 -2.97 -0.14 0.00 -0.26 0.00 0.00 58.87 55.32 1cg9 n SER 29 Cb 0.53 2.58 -0.06 0.00 -0.26 0.00 0.00 64.21 67.00 1cg9 n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cg9 n GLY 30 N -0.60 1.41 3.97 5.00 0.00 -0.85 -0.74 105.19 113.38 1cg9 n GLY 30 Ca 0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1cg9 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cg9 s PHE 31 N -2.31 3.23 -0.29 1.61 -0.71 -1.21 -4.41 117.98 113.88 1cg9 s PHE 31 Ca 0.00 -0.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.56 1cg9 s PHE 31 Cb 0.00 -1.81 0.15 0.00 -1.21 0.00 0.00 43.02 40.15 1cg9 s PHE 31 CO 0.00 0.18 1.05 -1.58 -1.34 0.00 0.00 175.22 173.54 1cg9 s HIS 32 N -2.11 -0.45 0.79 3.49 2.46 -1.00 -1.50 115.29 116.97 1cg9 s HIS 32 Ca 0.40 0.96 -0.13 0.00 0.47 0.00 0.00 55.06 56.76 1cg9 s HIS 32 Cb -0.09 0.32 0.20 0.00 -0.13 0.00 0.00 32.58 32.88 1cg9 s HIS 32 CO 0.30 -0.22 0.72 -0.35 -2.47 0.00 0.00 174.74 172.72 1cg9 n PRO 33 N 3.17 -2.30 0.21 2.88 -0.04 -1.26 -0.69 135.00 136.97 1cg9 n PRO 33 Ca -0.17 -1.16 0.06 0.00 -0.04 0.00 0.00 63.50 62.19 1cg9 n PRO 33 Cb 0.57 -1.06 0.46 0.00 -0.04 0.00 0.00 33.50 33.43 1cg9 n PRO 33 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cg9 h SER 34 N -2.06 0.00 -2.23 3.54 4.64 -1.99 -3.45 113.55 112.00 1cg9 h SER 34 Ca -0.27 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.48 1cg9 h SER 34 Cb 0.82 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.94 1cg9 h SER 34 CO 0.18 0.29 1.08 0.47 -0.87 0.00 0.00 176.83 177.98 1cg9 n ASP 35 N -3.94 3.67 -3.54 4.97 9.92 -1.26 -4.95 116.55 121.42 1cg9 n ASP 35 Ca -0.02 0.98 -0.16 0.00 -0.53 0.00 0.00 54.79 55.06 1cg9 n ASP 35 Cb 0.36 -1.45 -0.06 0.00 -0.64 0.00 0.00 41.12 39.34 1cg9 n ASP 35 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1cg9 s ILE 36 N 3.40 0.01 -0.11 0.53 2.07 -1.26 -4.58 121.20 121.26 1cg9 s ILE 36 Ca 0.88 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 1cg9 s ILE 36 Cb -0.59 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.06 1cg9 s ILE 36 CO 0.45 -0.04 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.64 1cg9 s GLU 37 N -1.66 1.67 -0.07 3.50 2.12 -0.67 -5.00 118.70 118.59 1cg9 s GLU 37 Ca -0.09 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.94 1cg9 s GLU 37 Cb -0.01 -1.61 0.01 0.00 0.26 0.00 0.00 34.13 32.78 1cg9 s GLU 37 CO 0.05 -0.20 -0.16 0.08 -0.54 0.00 0.00 175.26 174.50 1cg9 s VAL 38 N 1.44 1.42 -0.03 3.70 1.01 -1.26 -0.92 120.40 125.76 1cg9 s VAL 38 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1cg9 s VAL 38 Cb -0.13 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1cg9 s VAL 38 CO -0.06 0.42 -0.16 -1.81 0.00 0.00 0.00 175.10 173.49 1cg9 s ASP 39 N 0.52 2.00 -0.26 3.32 1.01 -0.02 -4.98 116.67 118.26 1cg9 s ASP 39 Ca -0.15 -0.32 -0.13 0.00 0.71 0.00 0.00 52.55 52.67 1cg9 s ASP 39 Cb -0.16 -0.40 -0.04 0.00 1.01 0.00 0.00 42.92 43.33 1cg9 s ASP 39 CO 0.05 0.17 0.27 -0.76 0.21 0.00 0.00 175.17 175.11 1cg9 s LEU 40 N -0.15 4.06 -0.00 1.23 1.43 -1.26 -0.75 118.68 123.24 1cg9 s LEU 40 Ca 0.01 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1cg9 s LEU 40 Cb -0.09 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1cg9 s LEU 40 CO 0.01 -0.07 0.03 -0.76 0.23 0.00 0.00 176.35 175.79 1cg9 s LEU 41 N 1.66 3.67 -0.28 1.79 1.43 0.85 -0.94 118.68 126.86 1cg9 s LEU 41 Ca 0.11 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1cg9 s LEU 41 Cb -0.15 -2.12 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1cg9 s LEU 41 CO 0.09 0.28 0.05 -0.75 0.23 0.00 0.00 176.35 176.25 1cg9 s LYS 42 N -1.64 1.00 -1.23 1.70 2.20 0.77 -1.04 119.74 121.50 1cg9 s LYS 42 Ca 0.21 -1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 1cg9 s LYS 42 Cb -0.12 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1cg9 s LYS 42 CO 0.12 -0.86 0.42 0.09 -0.36 0.00 0.00 175.35 174.76 1cg9 n ASN 43 N 4.75 -5.08 0.00 1.43 3.02 0.97 -1.70 115.26 118.65 1cg9 n ASN 43 Ca -0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1cg9 n ASN 43 Cb 0.43 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 1cg9 n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cg9 n GLY 44 N -1.32 3.00 3.76 7.41 0.00 -1.26 -5.00 105.19 111.77 1cg9 n GLY 44 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1cg9 n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cg9 s GLU 45 N -0.23 4.69 0.05 1.61 2.02 -0.69 -4.96 118.70 121.19 1cg9 s GLU 45 Ca 0.00 1.73 -0.29 0.00 0.02 0.00 0.00 54.97 56.43 1cg9 s GLU 45 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1cg9 s GLU 45 CO 0.00 0.27 0.93 0.50 0.02 0.00 0.00 175.26 176.99 1cg9 s ARG 46 N -1.34 4.61 -0.30 1.61 3.52 -1.26 -0.17 118.95 125.63 1cg9 s ARG 46 Ca 0.44 1.36 -0.23 0.00 -0.13 0.00 0.00 55.73 57.17 1cg9 s ARG 46 Cb -0.31 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1cg9 s ARG 46 CO 0.39 0.11 0.77 0.42 -0.81 0.00 0.00 175.30 176.18 1cg9 s ILE 47 N 0.43 4.82 0.29 4.11 1.01 -0.11 -4.92 121.20 126.82 1cg9 s ILE 47 Ca 0.47 1.21 0.10 0.00 0.00 0.00 0.00 60.65 62.43 1cg9 s ILE 47 Cb -0.22 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 1cg9 s ILE 47 CO 0.28 -0.20 1.64 -0.33 0.00 0.00 0.00 174.94 176.33 1cg9 h GLU 48 N 8.06 0.01 -3.69 2.79 3.07 -1.95 -3.38 114.58 119.48 1cg9 h GLU 48 Ca -0.24 -0.01 -0.76 0.00 -0.50 0.00 0.00 59.36 57.85 1cg9 h GLU 48 Cb 1.10 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.85 1cg9 h GLU 48 CO 0.87 0.59 1.88 0.36 -1.40 0.00 0.00 179.01 181.31 1cg9 n LYS 49 N -3.85 3.60 -5.13 2.33 0.00 -1.26 -4.96 118.16 108.89 1cg9 n LYS 49 Ca -0.01 -3.61 -0.32 0.00 -0.00 0.00 0.00 58.31 54.37 1cg9 n LYS 49 Cb 0.58 -2.93 -0.17 0.00 -0.00 0.00 0.00 35.03 32.51 1cg9 n LYS 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1cg9 s VAL 50 N 0.49 2.14 0.34 0.58 1.01 -1.26 -4.71 120.40 119.00 1cg9 s VAL 50 Ca 0.40 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1cg9 s VAL 50 Cb 0.07 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1cg9 s VAL 50 CO 0.01 0.56 0.21 -1.61 0.00 0.00 0.00 175.10 174.26 1cg9 s GLU 51 N 0.39 2.53 0.11 2.72 2.02 -0.43 -4.95 118.70 121.09 1cg9 s GLU 51 Ca -0.17 -1.44 -0.19 0.00 0.02 0.00 0.00 54.97 53.19 1cg9 s GLU 51 Cb -0.18 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.79 1cg9 s GLU 51 CO 0.08 0.10 0.47 -3.38 0.02 0.00 0.00 175.26 172.55 1cg9 s HIS 52 N -2.37 -0.33 0.97 1.61 -3.43 -1.26 -0.63 115.29 109.85 1cg9 s HIS 52 Ca 0.39 0.12 -0.14 0.00 -0.80 0.00 0.00 55.06 54.62 1cg9 s HIS 52 Cb -0.04 0.34 0.18 0.00 -1.43 0.00 0.00 32.58 31.63 1cg9 s HIS 52 CO 0.24 -0.72 1.17 -1.54 -2.00 0.00 0.00 174.74 171.90 1cg9 s SER 53 N -2.59 2.98 0.14 7.38 1.04 -0.26 -4.99 113.70 117.41 1cg9 s SER 53 Ca 0.00 0.74 -0.24 0.00 0.48 0.00 0.00 55.95 56.94 1cg9 s SER 53 Cb 0.01 -1.14 -0.08 0.00 0.10 0.00 0.00 66.02 64.91 1cg9 s SER 53 CO -0.10 -2.86 0.72 -1.81 0.98 0.00 0.00 173.24 170.18 1cg9 s ASP 54 N -4.21 7.30 -0.00 7.02 1.01 -1.26 -4.75 116.67 121.78 1cg9 s ASP 54 Ca 0.67 1.55 -0.35 0.00 0.71 0.00 0.00 52.55 55.13 1cg9 s ASP 54 Cb -0.11 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.22 1cg9 s ASP 54 CO 0.54 0.22 1.67 -0.11 0.21 0.00 0.00 175.17 177.70 1cg9 n LEU 55 N 1.60 2.90 -4.08 1.23 7.94 -1.26 -4.92 117.00 120.41 1cg9 n LEU 55 Ca -0.07 1.05 -0.10 0.00 -1.11 0.00 0.00 56.01 55.78 1cg9 n LEU 55 Cb 0.49 -1.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.03 1cg9 n LEU 55 CO 0.45 -0.34 -0.11 -0.55 -1.11 0.00 0.00 177.39 175.73 1cg9 s SER 56 N 2.34 0.10 0.04 1.96 0.15 -1.23 -5.05 113.70 112.01 1cg9 s SER 56 Ca 0.87 -1.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.39 1cg9 s SER 56 Cb -0.78 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1cg9 s SER 56 CO 0.48 -0.89 0.00 0.72 1.20 0.00 0.00 173.24 174.75 1cg9 s PHE 57 N -4.06 0.37 0.65 3.44 -0.12 -1.26 -1.42 117.98 115.59 1cg9 s PHE 57 Ca 0.27 -0.79 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 1cg9 s PHE 57 Cb 0.05 -0.27 0.10 0.00 -0.63 0.00 0.00 43.02 42.27 1cg9 s PHE 57 CO 0.06 -0.33 0.90 -1.54 -0.05 0.00 0.00 175.22 174.26 1cg9 s SER 58 N -2.35 4.70 0.35 1.98 1.04 -0.09 -4.93 113.70 114.40 1cg9 s SER 58 Ca -0.02 -0.50 0.15 0.00 0.48 0.00 0.00 55.95 56.06 1cg9 s SER 58 Cb 0.01 0.01 1.16 0.00 0.10 0.00 0.00 66.02 67.30 1cg9 s SER 58 CO -0.06 -1.61 1.60 0.50 0.98 0.00 0.00 173.24 174.65 1cg9 h LYS 59 N -0.22 0.07 -0.49 4.02 3.64 -2.02 0.21 116.57 121.78 1cg9 h LYS 59 Ca -0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1cg9 h LYS 59 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1cg9 h LYS 59 CO 0.41 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.24 1cg9 n ASP 60 N -5.26 1.52 0.00 4.20 5.75 -1.26 -4.88 116.55 116.63 1cg9 n ASP 60 Ca 0.33 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1cg9 n ASP 60 Cb 1.11 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1cg9 n ASP 60 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1cg9 n TRP 61 N 0.10 0.00 -2.19 2.11 7.02 0.74 -4.99 117.44 120.23 1cg9 n TRP 61 Ca 0.07 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.13 1cg9 n TRP 61 Cb 0.30 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 28.89 1cg9 n TRP 61 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1cg9 s SER 62 N -3.14 6.86 0.55 -0.99 0.01 -1.25 -4.71 113.70 111.03 1cg9 s SER 62 Ca 0.00 2.48 -0.09 0.00 1.31 0.00 0.00 55.95 59.65 1cg9 s SER 62 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1cg9 s SER 62 CO 0.00 -0.53 0.92 -0.36 0.41 0.00 0.00 173.24 173.68 1cg9 s PHE 63 N -0.20 3.58 -0.08 2.43 0.08 -0.56 -0.92 117.98 122.32 1cg9 s PHE 63 Ca 0.55 1.11 -0.13 0.00 0.12 0.00 0.00 56.93 58.58 1cg9 s PHE 63 Cb -0.38 -2.55 0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1cg9 s PHE 63 CO 0.42 -0.48 0.32 1.52 -0.10 0.00 0.00 175.22 176.90 1cg9 s TYR 64 N -2.92 -0.28 0.04 0.36 -0.85 -0.50 -2.00 117.35 111.19 1cg9 s TYR 64 Ca 0.52 0.62 -0.08 0.00 -0.52 0.00 0.00 57.07 57.61 1cg9 s TYR 64 Cb -0.11 0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.34 1cg9 s TYR 64 CO 0.48 -0.27 0.15 -0.51 -1.52 0.00 0.00 175.55 173.88 1cg9 s LEU 65 N -0.49 1.54 -0.14 -3.49 1.43 -0.06 -3.58 118.68 113.90 1cg9 s LEU 65 Ca -0.06 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1cg9 s LEU 65 Cb -0.04 0.81 0.03 0.00 0.03 0.00 0.00 46.19 47.02 1cg9 s LEU 65 CO 0.02 -0.54 -0.11 -0.22 0.23 0.00 0.00 176.35 175.73 1cg9 s LEU 66 N -2.11 1.52 -0.11 1.79 2.96 -1.26 -1.56 118.68 119.91 1cg9 s LEU 66 Ca -0.05 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1cg9 s LEU 66 Cb -0.01 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1cg9 s LEU 66 CO -0.04 -0.09 0.03 -0.31 -1.32 0.00 0.00 176.35 174.61 1cg9 s TYR 67 N 1.58 3.24 0.14 5.38 1.51 -0.14 -1.11 117.35 127.95 1cg9 s TYR 67 Ca 0.04 0.20 -0.13 0.00 -1.01 0.00 0.00 57.07 56.17 1cg9 s TYR 67 Cb -0.13 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1cg9 s TYR 67 CO -0.09 0.43 0.34 1.52 -1.11 0.00 0.00 175.55 176.64 1cg9 s TYR 68 N -0.63 0.06 -0.08 2.71 1.13 0.19 -0.20 117.35 120.54 1cg9 s TYR 68 Ca 0.11 -0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 55.05 1cg9 s TYR 68 Cb -0.12 0.12 0.07 0.00 -1.10 0.00 0.00 41.96 40.93 1cg9 s TYR 68 CO 0.02 -0.71 0.67 -0.08 -2.51 0.00 0.00 175.55 172.94 1cg9 s THR 69 N -3.88 0.00 0.01 -3.49 -1.32 -0.95 -1.31 115.64 104.72 1cg9 s THR 69 Ca 0.08 -0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 1cg9 s THR 69 Cb 0.02 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1cg9 s THR 69 CO -0.07 -0.01 0.87 -1.83 -2.21 0.00 0.00 174.62 171.37 1cg9 s GLU 70 N -0.96 4.54 0.26 7.08 -1.05 -1.26 -0.88 118.70 126.43 1cg9 s GLU 70 Ca -0.09 1.23 -0.00 0.00 -0.15 0.00 0.00 54.97 55.95 1cg9 s GLU 70 Cb -0.01 -3.42 -0.03 0.00 -0.44 0.00 0.00 34.13 30.23 1cg9 s GLU 70 CO 0.08 0.09 0.26 -0.59 0.95 0.00 0.00 175.26 176.05 1cg9 s PHE 71 N 0.55 1.21 -0.29 4.83 -0.71 0.07 -4.93 117.98 118.71 1cg9 s PHE 71 Ca 0.45 -1.36 0.02 0.00 -1.04 0.00 0.00 56.93 54.99 1cg9 s PHE 71 Cb -0.21 -0.45 0.08 0.00 -1.21 0.00 0.00 43.02 41.24 1cg9 s PHE 71 CO 0.25 -0.81 0.01 0.99 -1.34 0.00 0.00 175.22 174.32 1cg9 s THR 72 N -3.82 1.70 0.52 -4.49 2.01 -1.26 -0.41 115.64 109.89 1cg9 s THR 72 Ca 0.36 -1.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.47 1cg9 s THR 72 Cb 0.04 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.39 1cg9 s THR 72 CO 0.17 -0.38 1.34 -2.16 -0.69 0.00 0.00 174.62 172.90 1cg9 s PRO 73 N 1.25 3.29 -0.29 4.92 0.04 -1.26 -4.82 135.00 138.13 1cg9 s PRO 73 Ca 0.03 2.19 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 1cg9 s PRO 73 Cb -0.19 -2.33 0.13 0.00 0.04 0.00 0.00 34.50 32.15 1cg9 s PRO 73 CO -0.11 -1.05 0.77 -0.08 0.04 0.00 0.00 177.00 176.57 1cg9 s THR 74 N -1.32 -0.53 -0.95 1.26 -1.32 -1.26 -1.47 115.64 110.04 1cg9 s THR 74 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1cg9 s THR 74 Cb -0.39 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1cg9 s THR 74 CO 0.47 0.00 0.38 -1.84 -2.21 0.00 0.00 174.62 171.42 1cg9 n GLU 75 N 4.86 0.00 -0.02 7.08 -0.00 -1.26 -1.39 120.64 129.91 1cg9 n GLU 75 Ca -0.14 0.06 -0.02 0.00 -0.00 0.00 0.00 57.16 57.06 1cg9 n GLU 75 Cb 0.53 -1.55 -0.13 0.00 -0.00 0.00 0.00 31.44 30.29 1cg9 n GLU 75 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1cg9 n LYS 76 N -0.88 0.65 -3.68 3.44 2.85 -1.26 -4.93 118.16 114.34 1cg9 n LYS 76 Ca 0.00 0.08 -0.37 0.00 -1.05 0.00 0.00 58.31 56.97 1cg9 n LYS 76 Cb 0.05 -1.66 -0.07 0.00 -0.65 0.00 0.00 35.03 32.71 1cg9 n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1cg9 s ASP 77 N -5.48 6.44 -0.32 -5.58 1.01 -0.49 -5.07 116.67 107.19 1cg9 s ASP 77 Ca -0.06 0.52 -0.14 0.00 0.71 0.00 0.00 52.55 53.58 1cg9 s ASP 77 Cb 0.09 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 1cg9 s ASP 77 CO 0.84 0.26 0.33 -1.61 0.21 0.00 0.00 175.17 175.19 1cg9 s GLU 78 N -0.33 3.70 -0.03 8.23 8.01 -1.26 -4.81 118.70 132.20 1cg9 s GLU 78 Ca 0.16 -0.34 -0.02 0.00 0.01 0.00 0.00 54.97 54.78 1cg9 s GLU 78 Cb -0.13 -3.75 -0.04 0.00 -4.31 0.00 0.00 34.13 25.90 1cg9 s GLU 78 CO 0.04 -0.42 0.09 0.71 0.01 0.00 0.00 175.26 175.70 1cg9 s TYR 79 N 1.96 3.34 0.22 1.61 2.02 -1.26 -0.02 117.35 125.21 1cg9 s TYR 79 Ca 0.11 0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.93 1cg9 s TYR 79 Cb -0.16 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1cg9 s TYR 79 CO 0.11 0.58 0.48 0.00 -1.57 0.00 0.00 175.55 175.15 1cg9 s ALA 80 N -1.14 -0.52 -0.10 3.71 0.00 -0.21 -0.52 121.76 122.98 1cg9 s ALA 80 Ca 0.21 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1cg9 s ALA 80 Cb -0.12 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1cg9 s ALA 80 CO 0.11 -0.82 -0.19 0.00 0.00 0.00 0.00 175.76 174.86 1cg9 s ARG 82 N 0.61 3.53 -0.08 0.00 3.52 0.07 -1.37 118.95 125.23 1cg9 s ARG 82 Ca -0.14 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1cg9 s ARG 82 Cb -0.17 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1cg9 s ARG 82 CO 0.04 -0.02 -0.18 0.08 -0.81 0.00 0.00 175.30 174.41 1cg9 s VAL 83 N 1.07 1.55 -0.07 7.11 1.01 -0.16 -0.84 120.40 130.07 1cg9 s VAL 83 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1cg9 s VAL 83 Cb -0.14 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 1cg9 s VAL 83 CO 0.01 0.45 -0.22 0.21 0.00 0.00 0.00 175.10 175.54 1cg9 s ASN 84 N 0.45 2.78 0.14 3.32 3.04 -0.10 -1.03 114.94 123.54 1cg9 s ASN 84 Ca -0.15 -0.48 -0.06 0.00 0.04 0.00 0.00 52.86 52.22 1cg9 s ASN 84 Cb -0.16 -0.96 -0.02 0.00 -1.54 0.00 0.00 41.25 38.56 1cg9 s ASN 84 CO 0.06 0.18 0.18 -2.28 -3.04 0.00 0.00 177.10 172.20 1cg9 s HIS 85 N 0.10 0.57 0.57 0.43 2.46 -1.26 -1.67 115.29 116.48 1cg9 s HIS 85 Ca -0.09 -0.95 0.26 0.00 0.47 0.00 0.00 55.06 54.75 1cg9 s HIS 85 Cb -0.15 -0.23 1.62 0.00 -0.13 0.00 0.00 32.58 33.68 1cg9 s HIS 85 CO 0.05 -0.62 2.18 -0.24 -2.47 0.00 0.00 174.74 173.64 1cg9 h VAL 86 N 2.71 0.65 -0.01 0.89 3.04 -1.95 -0.57 116.25 121.00 1cg9 h VAL 86 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1cg9 h VAL 86 Cb 1.21 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1cg9 h VAL 86 CO 0.54 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.45 1cg9 n THR 87 N -4.05 0.01 -5.11 3.17 -2.24 -1.26 -4.78 114.28 100.01 1cg9 n THR 87 Ca -0.01 -0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1cg9 n THR 87 Cb 0.17 -0.12 -0.16 0.00 -2.10 0.00 0.00 70.33 68.11 1cg9 n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cg9 s LEU 88 N -1.95 2.25 0.01 3.22 1.43 -0.22 -4.98 118.68 118.44 1cg9 s LEU 88 Ca 0.43 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 1cg9 s LEU 88 Cb 0.21 -1.46 -0.25 0.00 0.03 0.00 0.00 46.19 44.72 1cg9 s LEU 88 CO 0.34 0.17 1.09 0.28 0.23 0.00 0.00 176.35 178.46 1cg9 h SER 89 N 6.66 0.62 -4.13 2.29 0.02 -1.86 -3.42 113.55 113.73 1cg9 h SER 89 Ca -0.21 -0.78 -0.66 0.00 -0.84 0.00 0.00 61.79 59.29 1cg9 h SER 89 Cb 1.23 -0.19 -0.24 0.00 0.14 0.00 0.00 62.40 63.34 1cg9 h SER 89 CO 0.49 1.33 -0.86 -1.10 -1.14 0.00 0.00 176.83 175.54 1cg9 s GLN 90 N -3.12 1.50 0.09 3.45 -1.52 -1.26 -5.09 119.66 113.71 1cg9 s GLN 90 Ca -0.12 -1.19 -0.31 0.00 -1.95 0.00 0.00 55.36 51.79 1cg9 s GLN 90 Cb 0.04 -1.80 -0.09 0.00 -0.22 0.00 0.00 33.01 30.93 1cg9 s GLN 90 CO 0.85 0.45 1.73 -1.25 -0.25 0.00 0.00 175.29 176.82 1cg9 s PRO 91 N -1.63 4.17 0.19 2.91 0.04 -1.26 -4.94 135.00 134.49 1cg9 s PRO 91 Ca 0.11 2.45 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 1cg9 s PRO 91 Cb -0.10 -3.61 -0.08 0.00 0.04 0.00 0.00 34.50 30.75 1cg9 s PRO 91 CO 0.04 -0.79 1.04 0.21 0.04 0.00 0.00 177.00 177.54 1cg9 s LYS 92 N 2.73 4.68 -0.11 4.56 2.20 -0.20 -4.80 119.74 128.81 1cg9 s LYS 92 Ca 0.77 1.63 0.03 0.00 -0.36 0.00 0.00 55.97 58.03 1cg9 s LYS 92 Cb -0.42 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1cg9 s LYS 92 CO 0.34 0.23 -0.20 0.42 -0.36 0.00 0.00 175.35 175.78 1cg9 s ILE 93 N -0.55 2.41 -0.18 5.43 1.01 -1.26 -0.99 121.20 127.07 1cg9 s ILE 93 Ca 0.46 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1cg9 s ILE 93 Cb -0.28 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1cg9 s ILE 93 CO 0.34 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.99 1cg9 s VAL 94 N 0.33 1.81 0.51 2.92 1.01 -0.47 -4.97 120.40 121.53 1cg9 s VAL 94 Ca -0.16 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 1cg9 s VAL 94 Cb -0.17 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1cg9 s VAL 94 CO 0.08 0.39 1.03 -0.54 0.00 0.00 0.00 175.10 176.06 1cg9 s LYS 95 N 1.37 3.74 0.01 2.72 -0.14 -1.26 -0.80 119.74 125.37 1cg9 s LYS 95 Ca 0.03 1.28 -0.22 0.00 -1.36 0.00 0.00 55.97 55.69 1cg9 s LYS 95 Cb -0.14 -2.09 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 1cg9 s LYS 95 CO -0.11 -0.47 0.66 -0.46 -0.76 0.00 0.00 175.35 174.22 1cg9 s TRP 96 N -2.15 3.69 -0.22 3.18 -0.00 0.32 -4.84 118.94 118.91 1cg9 s TRP 96 Ca 0.65 1.30 -0.01 0.00 -0.00 0.00 0.00 56.10 58.04 1cg9 s TRP 96 Cb -0.15 -2.70 0.06 0.00 -0.00 0.00 0.00 33.47 30.68 1cg9 s TRP 96 CO 0.24 0.30 -0.01 0.34 -0.00 0.00 0.00 176.95 177.82 1cg9 s ASP 97 N -0.05 3.47 0.00 5.86 2.15 -1.26 -4.78 116.67 122.06 1cg9 s ASP 97 Ca 0.34 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1cg9 s ASP 97 Cb -0.19 -0.92 0.00 0.00 -0.30 0.00 0.00 42.92 41.51 1cg9 s ASP 97 CO 0.19 -0.27 0.86 -2.11 -0.17 0.00 0.00 175.17 173.67 1cg9 n ARG 98 N 4.83 0.00 -0.07 4.34 1.85 -1.26 -0.46 116.66 125.89 1cg9 n ARG 98 Ca -0.10 0.36 0.12 0.00 -1.00 0.00 0.00 57.85 57.23 1cg9 n ARG 98 Cb 0.45 -1.63 0.25 0.00 -1.05 0.00 0.00 32.46 30.48 1cg9 n ARG 98 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1cg9 n ASP 99 N -1.36 2.69 0.00 2.89 8.00 -1.26 -4.66 116.55 122.85 1cg9 n ASP 99 Ca 0.00 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1cg9 n ASP 99 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1cg9 n ASP 99 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04