#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0g n ILE 1 N 0.00 0.49 -3.56 2.02 5.41 -1.26 -4.99 119.36 117.48 1b0g n ILE 1 Ca 0.00 -0.12 -0.29 0.00 1.00 0.00 0.00 62.75 63.34 1b0g n ILE 1 Cb 0.00 -1.99 -0.14 0.00 -0.71 0.00 0.00 39.64 36.79 1b0g n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1b0g s GLN 2 N 0.36 0.43 0.02 0.38 -0.21 -1.25 -4.23 119.66 115.16 1b0g s GLN 2 Ca 0.70 -0.90 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 1b0g s GLN 2 Cb -0.49 -1.40 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 1b0g s GLN 2 CO 0.40 -1.07 0.31 1.03 -2.12 0.00 0.00 175.29 173.84 1b0g s ARG 3 N 1.67 3.65 -0.01 2.91 0.52 0.15 -4.86 118.95 122.98 1b0g s ARG 3 Ca 0.12 0.03 -0.23 0.00 -0.52 0.00 0.00 55.73 55.13 1b0g s ARG 3 Cb -0.18 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1b0g s ARG 3 CO -0.23 0.64 0.67 0.99 0.02 0.00 0.00 175.30 177.38 1b0g s THR 4 N -1.29 4.89 0.21 0.02 2.01 -1.26 -1.66 115.64 118.56 1b0g s THR 4 Ca 0.28 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1b0g s THR 4 Cb -0.14 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1b0g s THR 4 CO 0.16 0.36 1.16 -2.16 -0.69 0.00 0.00 174.62 173.45 1b0g s PRO 5 N 0.11 4.53 0.03 4.92 0.04 -1.26 -4.24 135.00 139.13 1b0g s PRO 5 Ca 0.35 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 1b0g s PRO 5 Cb -0.19 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1b0g s PRO 5 CO 0.19 -0.00 0.53 0.15 0.04 0.00 0.00 177.00 177.91 1b0g s LYS 6 N -0.57 4.18 -0.09 4.56 1.02 0.42 -4.87 119.74 124.38 1b0g s LYS 6 Ca 0.50 0.65 0.03 0.00 0.02 0.00 0.00 55.97 57.17 1b0g s LYS 6 Cb -0.32 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1b0g s LYS 6 CO 0.38 0.55 -0.18 0.42 -0.92 0.00 0.00 175.35 175.60 1b0g s ILE 7 N -0.76 2.65 -0.20 2.17 1.01 -1.26 -2.49 121.20 122.32 1b0g s ILE 7 Ca 0.28 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1b0g s ILE 7 Cb -0.18 -2.05 0.06 0.00 0.01 0.00 0.00 42.46 40.30 1b0g s ILE 7 CO 0.17 0.55 0.04 -1.10 0.00 0.00 0.00 174.94 174.60 1b0g s GLN 8 N 0.04 0.68 -0.31 2.79 -0.21 -0.56 -4.97 119.66 117.13 1b0g s GLN 8 Ca -0.07 -0.47 -0.10 0.00 0.02 0.00 0.00 55.36 54.74 1b0g s GLN 8 Cb -0.15 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1b0g s GLN 8 CO 0.05 -0.66 0.16 0.54 -2.12 0.00 0.00 175.29 173.26 1b0g s VAL 9 N 1.84 4.71 0.32 1.09 0.11 -1.26 -0.24 120.40 126.97 1b0g s VAL 9 Ca -0.01 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1b0g s VAL 9 Cb -0.17 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.31 1b0g s VAL 9 CO -0.09 0.09 0.45 0.00 -3.33 0.00 0.00 175.10 172.22 1b0g n TYR 10 N 5.00 -1.37 -4.39 1.54 4.11 -0.61 -4.55 117.16 116.89 1b0g n TYR 10 Ca -0.14 -2.12 -0.24 0.00 -0.00 0.00 0.00 57.90 55.40 1b0g n TYR 10 Cb 0.50 0.51 -0.11 0.00 -0.00 0.00 0.00 39.34 40.23 1b0g n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1b0g s SER 11 N -2.96 3.10 0.08 9.48 1.04 -1.26 0.81 113.70 123.98 1b0g s SER 11 Ca 0.26 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.49 1b0g s SER 11 Cb -0.01 -0.22 -0.17 0.00 0.10 0.00 0.00 66.02 65.72 1b0g s SER 11 CO 0.19 0.03 1.67 -0.09 0.98 0.00 0.00 173.24 176.01 1b0g h ARG 12 N 3.02 -0.55 -6.20 4.02 2.43 -1.74 -3.44 114.38 111.91 1b0g h ARG 12 Ca -0.43 0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.24 1b0g h ARG 12 Cb 1.22 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.81 1b0g h ARG 12 CO 0.52 -0.37 -0.61 -1.01 -1.51 0.00 0.00 179.97 176.99 1b0g s HIS 13 N -6.11 2.83 0.12 2.20 3.76 -1.26 -5.06 115.29 111.77 1b0g s HIS 13 Ca -0.16 -0.18 -0.34 0.00 -0.15 0.00 0.00 55.06 54.23 1b0g s HIS 13 Cb 0.04 -1.26 -0.14 0.00 1.11 0.00 0.00 32.58 32.33 1b0g s HIS 13 CO 0.63 0.59 1.62 -2.30 -0.85 0.00 0.00 174.74 174.43 1b0g n PRO 14 N -0.97 2.11 -1.77 8.40 -0.02 -1.26 -4.85 135.00 136.64 1b0g n PRO 14 Ca -0.07 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1b0g n PRO 14 Cb 0.59 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1b0g n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b0g s ALA 15 N 1.39 3.29 -0.18 3.55 0.00 -1.26 -4.97 121.76 123.58 1b0g s ALA 15 Ca 0.81 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 53.75 1b0g s ALA 15 Cb -0.69 -3.90 0.05 0.00 0.00 0.00 0.00 23.12 18.57 1b0g s ALA 15 CO 0.40 -1.97 -0.06 -1.21 0.00 0.00 0.00 175.76 172.93 1b0g s GLU 16 N 4.99 1.55 0.33 0.00 2.02 -1.26 -5.10 118.70 121.23 1b0g s GLU 16 Ca 0.87 -0.65 -0.28 0.00 0.02 0.00 0.00 54.97 54.94 1b0g s GLU 16 Cb -0.36 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.57 1b0g s GLU 16 CO 0.36 -0.46 1.23 0.09 0.02 0.00 0.00 175.26 176.50 1b0g n ASN 17 N 4.81 2.47 0.00 -0.19 3.02 -1.26 -1.94 115.26 122.18 1b0g n ASN 17 Ca -0.12 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1b0g n ASN 17 Cb 0.47 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1b0g n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0g n GLY 18 N 0.86 2.41 3.75 7.41 0.00 -0.54 -4.99 105.19 114.09 1b0g n GLY 18 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1b0g n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0g s LYS 19 N -0.29 3.76 0.47 1.61 1.02 -0.82 -4.96 119.74 120.54 1b0g s LYS 19 Ca 0.00 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.51 1b0g s LYS 19 Cb 0.00 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1b0g s LYS 19 CO 0.00 0.50 1.32 -1.54 -0.92 0.00 0.00 175.35 174.70 1b0g s SER 20 N -0.23 5.84 0.00 2.83 1.04 -1.26 -3.79 113.70 118.13 1b0g s SER 20 Ca 0.10 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.20 1b0g s SER 20 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1b0g s SER 20 CO 0.01 -1.17 0.00 -3.20 0.98 0.00 0.00 173.24 169.86 1b0g n ASN 21 N -0.45 0.00 -3.88 7.02 2.85 0.30 -4.95 115.26 116.15 1b0g n ASN 21 Ca 0.07 -0.48 -0.19 0.00 -0.11 0.00 0.00 54.58 53.87 1b0g n ASN 21 Cb 0.45 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.30 1b0g n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1b0g s PHE 22 N -5.28 0.65 -0.24 1.20 0.40 -1.26 -0.93 117.98 112.51 1b0g s PHE 22 Ca 0.00 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.03 1b0g s PHE 22 Cb 0.00 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 1b0g s PHE 22 CO 0.00 -0.17 0.31 -1.17 0.70 0.00 0.00 175.22 174.89 1b0g s LEU 23 N 0.88 4.09 0.17 -0.37 2.96 0.34 -1.80 118.68 124.94 1b0g s LEU 23 Ca -0.11 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1b0g s LEU 23 Cb -0.14 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1b0g s LEU 23 CO -0.00 -0.08 -0.01 0.20 -1.32 0.00 0.00 176.35 175.14 1b0g s ASN 24 N 1.35 4.71 -0.26 3.68 0.01 0.24 -1.82 114.94 122.85 1b0g s ASN 24 Ca 0.13 -0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 51.84 1b0g s ASN 24 Cb -0.15 -0.98 0.10 0.00 0.41 0.00 0.00 41.25 40.63 1b0g s ASN 24 CO 0.08 0.09 0.18 0.00 -1.51 0.00 0.00 177.10 175.95 1b0g s TYR 26 N 2.20 3.21 -0.13 0.00 5.04 0.66 -1.34 117.35 127.00 1b0g s TYR 26 Ca 0.08 0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.89 1b0g s TYR 26 Cb -0.15 -2.75 -0.02 0.00 0.35 0.00 0.00 41.96 39.39 1b0g s TYR 26 CO -0.28 -0.42 -0.10 0.14 -1.34 0.00 0.00 175.55 173.55 1b0g s VAL 27 N 2.19 3.33 0.28 3.14 -7.23 -0.76 -1.49 120.40 119.84 1b0g s VAL 27 Ca 0.16 -0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 1b0g s VAL 27 Cb -0.16 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1b0g s VAL 27 CO 0.12 0.52 0.55 -0.94 -0.31 0.00 0.00 175.10 175.04 1b0g s SER 28 N 0.25 -0.02 -0.32 4.85 1.04 -1.04 -0.86 113.70 117.61 1b0g s SER 28 Ca -0.07 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1b0g s SER 28 Cb -0.15 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1b0g s SER 28 CO 0.05 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1b0g n GLY 29 N -0.43 0.55 3.98 7.32 0.00 -0.21 -0.44 105.19 115.97 1b0g n GLY 29 Ca -0.02 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1b0g n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b0g s PHE 30 N -1.84 3.17 -0.29 1.61 -0.71 -1.24 -4.10 117.98 114.59 1b0g s PHE 30 Ca 0.00 -0.18 -0.18 0.00 -1.04 0.00 0.00 56.93 55.52 1b0g s PHE 30 Cb 0.00 -1.91 0.14 0.00 -1.21 0.00 0.00 43.02 40.04 1b0g s PHE 30 CO 0.00 0.08 0.97 -1.58 -1.34 0.00 0.00 175.22 173.35 1b0g s HIS 31 N -2.14 -0.58 0.65 3.49 2.46 -0.66 -1.70 115.29 116.80 1b0g s HIS 31 Ca 0.43 1.21 -0.11 0.00 0.47 0.00 0.00 55.06 57.06 1b0g s HIS 31 Cb -0.09 0.37 0.16 0.00 -0.13 0.00 0.00 32.58 32.89 1b0g s HIS 31 CO 0.31 -0.29 0.63 -0.35 -2.47 0.00 0.00 174.74 172.57 1b0g n PRO 32 N 3.37 -1.89 0.24 2.88 -0.04 -1.26 0.33 135.00 138.64 1b0g n PRO 32 Ca -0.17 -1.00 0.11 0.00 -0.04 0.00 0.00 63.50 62.40 1b0g n PRO 32 Cb 0.57 -0.87 0.61 0.00 -0.04 0.00 0.00 33.50 33.77 1b0g n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1b0g h SER 33 N -1.75 0.00 -2.86 3.54 4.64 -1.98 -3.44 113.55 111.69 1b0g h SER 33 Ca -0.23 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.57 1b0g h SER 33 Cb 0.69 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.84 1b0g h SER 33 CO 0.15 0.17 0.97 -1.81 -0.87 0.00 0.00 176.83 175.44 1b0g s ASP 34 N -6.16 6.39 -0.29 4.97 1.11 -1.26 -4.96 116.67 116.47 1b0g s ASP 34 Ca -0.01 2.88 -0.21 0.00 0.18 0.00 0.00 52.55 55.38 1b0g s ASP 34 Cb 0.12 -2.61 0.14 0.00 1.07 0.00 0.00 42.92 41.64 1b0g s ASP 34 CO 0.61 -0.95 1.06 -0.51 1.18 0.00 0.00 175.17 176.56 1b0g s ILE 35 N 0.84 0.00 -0.30 0.77 2.07 -1.26 -4.72 121.20 118.60 1b0g s ILE 35 Ca 0.71 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.86 1b0g s ILE 35 Cb -0.49 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.09 1b0g s ILE 35 CO 0.36 0.00 0.14 -0.70 -1.91 0.00 0.00 174.94 172.84 1b0g s GLU 36 N 0.66 3.38 -0.07 3.50 -6.30 -0.33 -4.96 118.70 114.59 1b0g s GLU 36 Ca -0.01 -0.69 0.05 0.00 -2.50 0.00 0.00 54.97 51.82 1b0g s GLU 36 Cb -0.04 -3.54 -0.01 0.00 0.00 0.00 0.00 34.13 30.54 1b0g s GLU 36 CO -0.11 -0.39 -0.23 0.08 0.02 0.00 0.00 175.26 174.64 1b0g s VAL 37 N 1.62 1.93 0.05 3.70 1.01 -1.26 -0.22 120.40 127.22 1b0g s VAL 37 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1b0g s VAL 37 Cb -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1b0g s VAL 37 CO 0.06 0.54 -0.09 -1.81 0.00 0.00 0.00 175.10 173.79 1b0g s ASP 38 N 0.06 1.07 -0.12 3.32 1.01 0.51 -4.98 116.67 117.54 1b0g s ASP 38 Ca -0.09 -0.55 -0.02 0.00 0.71 0.00 0.00 52.55 52.60 1b0g s ASP 38 Cb -0.15 0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.76 1b0g s ASP 38 CO 0.05 -0.15 -0.04 -0.76 0.21 0.00 0.00 175.17 174.48 1b0g s LEU 39 N -1.55 3.29 -0.01 1.23 1.43 -1.26 -0.84 118.68 120.98 1b0g s LEU 39 Ca -0.07 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1b0g s LEU 39 Cb -0.10 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1b0g s LEU 39 CO 0.01 0.26 -0.24 -0.76 0.23 0.00 0.00 176.35 175.84 1b0g s LEU 40 N -0.17 2.07 -0.26 1.79 1.43 -0.09 -0.72 118.68 122.73 1b0g s LEU 40 Ca 0.03 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1b0g s LEU 40 Cb -0.13 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.90 1b0g s LEU 40 CO 0.02 0.28 -0.08 -0.75 0.23 0.00 0.00 176.35 176.06 1b0g s LYS 41 N -0.68 2.52 -1.43 1.70 2.20 0.34 -1.66 119.74 122.73 1b0g s LYS 41 Ca 0.09 -1.18 -0.09 0.00 -0.36 0.00 0.00 55.97 54.44 1b0g s LYS 41 Cb -0.09 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1b0g s LYS 41 CO -0.00 -0.50 0.65 0.09 -0.36 0.00 0.00 175.35 175.22 1b0g n ASN 42 N 4.56 -4.81 0.00 1.43 3.02 0.57 -1.24 115.26 118.79 1b0g n ASN 42 Ca -0.15 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1b0g n ASN 42 Cb 0.44 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 1b0g n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0g n GLY 43 N -1.42 2.78 3.74 7.41 0.00 -1.26 -5.05 105.19 111.40 1b0g n GLY 43 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1b0g n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b0g s GLU 44 N -0.73 4.26 0.10 1.61 2.12 -0.37 -4.99 118.70 120.70 1b0g s GLU 44 Ca 0.00 0.38 -0.31 0.00 0.36 0.00 0.00 54.97 55.40 1b0g s GLU 44 Cb 0.00 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.91 1b0g s GLU 44 CO 0.00 0.26 1.54 0.50 -0.54 0.00 0.00 175.26 177.03 1b0g s ARG 45 N 0.30 4.24 0.01 4.30 3.52 -1.26 -0.51 118.95 129.55 1b0g s ARG 45 Ca 0.24 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 57.78 1b0g s ARG 45 Cb -0.15 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1b0g s ARG 45 CO 0.10 -0.61 1.04 0.42 -0.81 0.00 0.00 175.30 175.43 1b0g s ILE 46 N 1.81 4.65 -0.03 4.11 1.01 0.11 -4.92 121.20 127.93 1b0g s ILE 46 Ca 0.70 1.90 -0.22 0.00 0.00 0.00 0.00 60.65 63.03 1b0g s ILE 46 Cb -0.39 -4.22 -0.16 0.00 0.01 0.00 0.00 42.46 37.70 1b0g s ILE 46 CO 0.31 0.14 0.99 -0.33 0.00 0.00 0.00 174.94 176.05 1b0g h GLU 47 N 6.81 -0.27 -5.14 2.79 3.07 -1.93 -3.39 114.58 116.53 1b0g h GLU 47 Ca -0.41 0.02 -0.70 0.00 -0.50 0.00 0.00 59.36 57.77 1b0g h GLU 47 Cb 1.22 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 29.03 1b0g h GLU 47 CO 0.77 0.13 1.31 0.21 -1.40 0.00 0.00 179.01 180.03 1b0g s LYS 48 N -3.82 3.86 -0.11 2.33 2.36 -1.26 -4.94 119.74 118.16 1b0g s LYS 48 Ca -0.13 -2.08 0.02 0.00 -2.55 0.00 0.00 55.97 51.23 1b0g s LYS 48 Cb 0.01 -5.11 0.01 0.00 -1.05 0.00 0.00 37.83 31.69 1b0g s LYS 48 CO 0.50 -1.88 -0.17 0.08 1.55 0.00 0.00 175.35 175.42 1b0g s VAL 49 N 2.67 1.62 0.48 4.02 1.01 -1.26 -4.71 120.40 124.23 1b0g s VAL 49 Ca 0.41 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1b0g s VAL 49 Cb -0.02 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1b0g s VAL 49 CO -0.03 0.46 0.49 -1.61 0.00 0.00 0.00 175.10 174.41 1b0g s GLU 50 N 0.88 2.46 0.05 2.72 2.02 0.19 -4.90 118.70 122.12 1b0g s GLU 50 Ca -0.08 -1.63 -0.10 0.00 0.02 0.00 0.00 54.97 53.17 1b0g s GLU 50 Cb -0.15 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.67 1b0g s GLU 50 CO -0.00 -0.44 0.22 -3.38 0.02 0.00 0.00 175.26 171.68 1b0g s HIS 51 N -2.57 0.04 1.07 1.61 -3.43 -1.25 -0.26 115.29 110.51 1b0g s HIS 51 Ca 0.48 -0.29 -0.15 0.00 -0.80 0.00 0.00 55.06 54.30 1b0g s HIS 51 Cb -0.04 -0.01 0.22 0.00 -1.43 0.00 0.00 32.58 31.32 1b0g s HIS 51 CO 0.29 -0.47 1.12 -1.54 -2.00 0.00 0.00 174.74 172.14 1b0g s SER 52 N -2.25 2.07 0.10 7.38 1.04 0.11 -4.91 113.70 117.25 1b0g s SER 52 Ca -0.03 0.86 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1b0g s SER 52 Cb 0.00 -1.31 -0.06 0.00 0.10 0.00 0.00 66.02 64.76 1b0g s SER 52 CO -0.05 -3.44 1.01 -1.81 0.98 0.00 0.00 173.24 169.93 1b0g s ASP 53 N -3.81 7.39 -0.17 7.02 1.01 -1.26 -4.69 116.67 122.16 1b0g s ASP 53 Ca 0.68 1.85 -0.35 0.00 0.71 0.00 0.00 52.55 55.44 1b0g s ASP 53 Cb -0.14 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 1b0g s ASP 53 CO 0.56 -0.17 1.94 -0.11 0.21 0.00 0.00 175.17 177.60 1b0g n LEU 54 N 3.02 3.08 -4.25 1.23 7.94 -1.26 -4.91 117.00 121.84 1b0g n LEU 54 Ca 0.04 0.84 -0.17 0.00 -1.11 0.00 0.00 56.01 55.61 1b0g n LEU 54 Cb 0.49 -1.33 -0.09 0.00 0.53 0.00 0.00 43.42 43.02 1b0g n LEU 54 CO 0.52 -0.26 -0.15 -0.55 -1.11 0.00 0.00 177.39 175.85 1b0g s SER 55 N 4.83 1.14 0.19 1.96 0.15 -1.24 -5.05 113.70 115.69 1b0g s SER 55 Ca 0.97 -1.63 -0.06 0.00 0.70 0.00 0.00 55.95 55.93 1b0g s SER 55 Cb -0.75 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1b0g s SER 55 CO 0.52 -0.99 0.25 0.72 1.20 0.00 0.00 173.24 174.94 1b0g s PHE 56 N -3.68 0.68 0.51 3.44 -0.71 -1.26 -1.43 117.98 115.53 1b0g s PHE 56 Ca 0.40 -1.00 0.01 0.00 -1.04 0.00 0.00 56.93 55.29 1b0g s PHE 56 Cb 0.04 -0.21 0.10 0.00 -1.21 0.00 0.00 43.02 41.74 1b0g s PHE 56 CO 0.22 -0.74 0.70 0.43 -1.34 0.00 0.00 175.22 174.49 1b0g n SER 57 N -0.26 1.04 0.31 1.98 7.64 -0.14 -4.93 113.62 119.28 1b0g n SER 57 Ca -0.03 -1.85 0.21 0.00 1.01 0.00 0.00 58.87 58.21 1b0g n SER 57 Cb 0.64 -0.44 1.10 0.00 -1.01 0.00 0.00 64.21 64.49 1b0g n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1b0g h LYS 58 N 0.00 0.00 -0.64 1.43 1.57 -2.03 0.19 116.57 117.08 1b0g h LYS 58 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1b0g h LYS 58 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1b0g h LYS 58 CO 0.26 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.74 1b0g n ASP 59 N -2.96 4.17 0.00 0.86 5.75 -1.26 -4.93 116.55 118.18 1b0g n ASP 59 Ca -0.02 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1b0g n ASP 59 Cb 0.08 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1b0g n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b0g n TRP 60 N 0.97 0.00 -2.40 2.11 7.02 0.05 -4.98 117.44 120.21 1b0g n TRP 60 Ca 0.22 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.29 1b0g n TRP 60 Cb 0.78 -0.82 -0.04 0.00 -2.42 0.00 0.00 31.31 28.82 1b0g n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1b0g s SER 61 N -2.41 7.12 0.76 -0.99 0.01 -1.26 -4.70 113.70 112.24 1b0g s SER 61 Ca 0.00 2.23 -0.12 0.00 1.31 0.00 0.00 55.95 59.37 1b0g s SER 61 Cb 0.00 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1b0g s SER 61 CO 0.00 -0.33 1.11 -0.36 0.41 0.00 0.00 173.24 174.07 1b0g s PHE 62 N -0.23 3.06 -0.25 2.43 0.08 -0.69 -0.96 117.98 121.42 1b0g s PHE 62 Ca 0.51 1.03 -0.21 0.00 0.12 0.00 0.00 56.93 58.38 1b0g s PHE 62 Cb -0.32 -3.16 0.07 0.00 -0.57 0.00 0.00 43.02 39.03 1b0g s PHE 62 CO 0.37 -1.53 0.65 1.52 -0.10 0.00 0.00 175.22 176.14 1b0g s TYR 63 N -3.32 -0.78 0.02 0.36 -0.85 -0.51 -1.05 117.35 111.23 1b0g s TYR 63 Ca 0.60 1.81 -0.06 0.00 -0.52 0.00 0.00 57.07 58.90 1b0g s TYR 63 Cb -0.12 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 1b0g s TYR 63 CO 0.52 -0.38 0.10 -0.51 -1.52 0.00 0.00 175.55 173.76 1b0g s LEU 64 N 0.62 1.75 -0.20 -3.49 1.43 -0.04 -3.61 118.68 115.14 1b0g s LEU 64 Ca -0.02 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1b0g s LEU 64 Cb -0.05 0.58 0.02 0.00 0.03 0.00 0.00 46.19 46.77 1b0g s LEU 64 CO -0.03 -0.44 -0.14 -0.22 0.23 0.00 0.00 176.35 175.75 1b0g s LEU 65 N -1.80 2.55 -0.18 1.79 2.96 -1.26 -1.83 118.68 120.90 1b0g s LEU 65 Ca -0.10 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.04 1b0g s LEU 65 Cb -0.04 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1b0g s LEU 65 CO -0.02 -0.04 0.10 -0.31 -1.32 0.00 0.00 176.35 174.76 1b0g s TYR 66 N 1.32 3.37 0.04 5.38 1.51 -0.45 0.10 117.35 128.62 1b0g s TYR 66 Ca 0.03 0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 56.27 1b0g s TYR 66 Cb -0.14 -2.10 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1b0g s TYR 66 CO -0.09 0.30 0.15 1.52 -1.11 0.00 0.00 175.55 176.32 1b0g s TYR 67 N 0.17 0.12 -0.02 2.71 1.13 0.65 -0.50 117.35 121.61 1b0g s TYR 67 Ca 0.07 -0.38 -0.21 0.00 -1.41 0.00 0.00 57.07 55.15 1b0g s TYR 67 Cb -0.12 -0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1b0g s TYR 67 CO -0.01 -0.40 0.45 -0.08 -2.51 0.00 0.00 175.55 173.00 1b0g s THR 68 N -2.59 0.04 0.12 -3.49 -1.32 -0.76 -0.64 115.64 107.01 1b0g s THR 68 Ca -0.05 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 1b0g s THR 68 Cb -0.01 -0.79 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 1b0g s THR 68 CO -0.04 -0.17 1.04 -1.61 -2.21 0.00 0.00 174.62 171.63 1b0g s GLU 69 N -1.46 4.62 0.11 7.08 2.02 -1.26 -0.51 118.70 129.30 1b0g s GLU 69 Ca -0.11 1.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.32 1b0g s GLU 69 Cb -0.03 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 30.89 1b0g s GLU 69 CO 0.05 0.09 0.36 -0.59 0.02 0.00 0.00 175.26 175.19 1b0g s PHE 70 N 0.08 -0.14 -0.32 1.61 -0.71 -0.11 -4.87 117.98 113.52 1b0g s PHE 70 Ca 0.49 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.25 1b0g s PHE 70 Cb -0.26 0.19 0.09 0.00 -1.21 0.00 0.00 43.02 41.83 1b0g s PHE 70 CO 0.32 -0.66 0.02 0.99 -1.34 0.00 0.00 175.22 174.55 1b0g s THR 71 N -3.65 2.08 0.64 -4.49 2.01 -1.26 0.11 115.64 111.08 1b0g s THR 71 Ca 0.02 -2.06 -0.17 0.00 0.31 0.00 0.00 61.69 59.79 1b0g s THR 71 Cb 0.02 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 1b0g s THR 71 CO -0.11 -0.48 0.59 -0.81 -0.69 0.00 0.00 174.62 173.12 1b0g n PRO 72 N 4.37 0.46 -4.12 4.92 -0.04 -1.25 -4.70 135.00 134.64 1b0g n PRO 72 Ca -0.01 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1b0g n PRO 72 Cb 0.42 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 1b0g n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b0g s THR 73 N -1.78 0.58 0.39 0.52 2.01 -1.26 -1.47 115.64 114.63 1b0g s THR 73 Ca 0.68 -1.61 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1b0g s THR 73 Cb -0.40 -1.27 0.28 0.00 0.01 0.00 0.00 72.50 71.12 1b0g s THR 73 CO 0.55 -0.71 2.02 -0.08 -0.69 0.00 0.00 174.62 175.70 1b0g h GLU 74 N 3.53 0.62 -0.01 4.92 4.81 -1.97 -3.21 114.58 123.28 1b0g h GLU 74 Ca -0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1b0g h GLU 74 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1b0g h GLU 74 CO 0.56 0.41 -0.04 1.63 -0.73 0.00 0.00 179.01 180.84 1b0g n LYS 75 N -4.47 0.81 -2.90 1.92 5.02 -1.26 -5.00 118.16 112.28 1b0g n LYS 75 Ca 0.06 -1.05 -0.40 0.00 -2.02 0.00 0.00 58.31 54.90 1b0g n LYS 75 Cb 0.14 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1b0g n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b0g s ASP 76 N -1.00 7.33 -0.11 4.39 1.01 -1.21 -5.05 116.67 122.01 1b0g s ASP 76 Ca 0.12 1.58 -0.01 0.00 0.71 0.00 0.00 52.55 54.96 1b0g s ASP 76 Cb 0.09 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 1b0g s ASP 76 CO 0.16 0.01 -0.08 -1.61 0.21 0.00 0.00 175.17 173.86 1b0g s GLU 77 N -0.16 3.23 0.12 8.23 2.02 -1.26 -4.73 118.70 126.14 1b0g s GLU 77 Ca 0.41 -0.59 0.08 0.00 0.02 0.00 0.00 54.97 54.89 1b0g s GLU 77 Cb -0.22 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1b0g s GLU 77 CO 0.26 0.39 -0.19 0.71 0.02 0.00 0.00 175.26 176.44 1b0g s TYR 78 N -0.08 1.77 0.23 1.61 1.51 -1.26 -0.32 117.35 120.81 1b0g s TYR 78 Ca 0.00 -0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 55.49 1b0g s TYR 78 Cb -0.13 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1b0g s TYR 78 CO 0.03 0.24 0.47 0.00 -1.11 0.00 0.00 175.55 175.18 1b0g s ALA 79 N -1.52 -0.33 -0.09 3.71 0.00 -0.67 -0.07 121.76 122.80 1b0g s ALA 79 Ca 0.10 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1b0g s ALA 79 Cb -0.08 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1b0g s ALA 79 CO 0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 175.76 174.76 1b0g s ARG 81 N 0.33 3.30 0.07 0.00 3.52 -0.02 -0.94 118.95 125.21 1b0g s ARG 81 Ca -0.16 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 54.84 1b0g s ARG 81 Cb -0.17 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 1b0g s ARG 81 CO 0.07 -0.06 -0.23 0.08 -0.81 0.00 0.00 175.30 174.35 1b0g s VAL 82 N 1.06 1.91 0.00 7.11 1.01 -0.08 -0.37 120.40 131.05 1b0g s VAL 82 Ca -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1b0g s VAL 82 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1b0g s VAL 82 CO -0.02 0.17 -0.02 0.21 0.00 0.00 0.00 175.10 175.44 1b0g s ASN 83 N -1.50 0.22 0.16 3.32 3.04 0.69 -0.33 114.94 120.53 1b0g s ASN 83 Ca 0.10 -0.13 -0.18 0.00 0.04 0.00 0.00 52.86 52.69 1b0g s ASN 83 Cb -0.10 0.00 0.04 0.00 -1.54 0.00 0.00 41.25 39.65 1b0g s ASN 83 CO 0.03 -0.04 0.47 -2.28 -3.04 0.00 0.00 177.10 172.24 1b0g s HIS 84 N -0.33 -0.21 0.58 0.43 2.46 -1.26 -1.19 115.29 115.77 1b0g s HIS 84 Ca -0.03 -0.10 0.28 0.00 0.47 0.00 0.00 55.06 55.69 1b0g s HIS 84 Cb -0.03 0.35 1.55 0.00 -0.13 0.00 0.00 32.58 34.33 1b0g s HIS 84 CO -0.00 -0.80 2.03 -0.39 -2.47 0.00 0.00 174.74 173.11 1b0g h VAL 85 N 2.25 0.50 -0.28 0.89 -1.51 -1.94 0.46 116.25 116.62 1b0g h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1b0g h VAL 85 Cb 1.27 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1b0g h VAL 85 CO 0.42 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 1b0g n THR 86 N -3.90 0.48 -3.93 7.19 -2.24 -1.26 -4.74 114.28 105.88 1b0g n THR 86 Ca 0.04 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 1b0g n THR 86 Cb 0.45 0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 1b0g n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b0g s LEU 87 N -1.01 1.70 0.40 3.22 1.43 0.15 -4.97 118.68 119.60 1b0g s LEU 87 Ca 0.19 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1b0g s LEU 87 Cb 0.11 -1.00 0.84 0.00 0.03 0.00 0.00 46.19 46.17 1b0g s LEU 87 CO 0.12 -0.15 2.00 0.77 0.23 0.00 0.00 176.35 179.32 1b0g h SER 88 N 8.09 0.36 -4.97 2.29 4.64 -1.85 -3.42 113.55 118.69 1b0g h SER 88 Ca -0.27 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 60.83 1b0g h SER 88 Cb 1.11 -0.09 -0.21 0.00 -0.31 0.00 0.00 62.40 62.90 1b0g h SER 88 CO 0.43 0.35 -0.70 -1.10 -0.87 0.00 0.00 176.83 174.94 1b0g s GLN 89 N -5.15 0.33 -0.12 4.77 -0.21 -1.26 -5.11 119.66 112.91 1b0g s GLN 89 Ca -0.07 -0.64 -0.33 0.00 0.02 0.00 0.00 55.36 54.35 1b0g s GLN 89 Cb 0.16 0.08 -0.10 0.00 1.00 0.00 0.00 33.01 34.15 1b0g s GLN 89 CO 0.73 -0.04 1.99 -0.35 -2.12 0.00 0.00 175.29 175.50 1b0g n PRO 90 N 1.56 2.12 -2.47 2.91 -0.04 -1.26 -4.92 135.00 132.90 1b0g n PRO 90 Ca -0.24 0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 1b0g n PRO 90 Cb 0.55 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 1b0g n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1b0g s LYS 91 N 4.77 4.36 -0.29 0.54 2.20 0.55 -4.77 119.74 127.10 1b0g s LYS 91 Ca 0.96 1.67 -0.05 0.00 -0.36 0.00 0.00 55.97 58.18 1b0g s LYS 91 Cb -0.62 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.18 1b0g s LYS 91 CO 0.47 -0.42 0.04 0.42 -0.36 0.00 0.00 175.35 175.50 1b0g s ILE 92 N 2.11 3.57 -0.23 5.43 1.01 -1.26 -0.90 121.20 130.92 1b0g s ILE 92 Ca 0.56 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1b0g s ILE 92 Cb -0.25 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1b0g s ILE 92 CO 0.22 0.04 0.04 -0.69 0.00 0.00 0.00 174.94 174.55 1b0g s VAL 93 N 1.41 4.09 0.46 2.92 1.01 -0.12 -4.94 120.40 125.23 1b0g s VAL 93 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1b0g s VAL 93 Cb -0.18 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1b0g s VAL 93 CO 0.00 0.38 0.94 -0.54 0.00 0.00 0.00 175.10 175.88 1b0g s LYS 94 N 1.42 4.07 -0.04 2.72 1.02 -1.26 -0.46 119.74 127.20 1b0g s LYS 94 Ca 0.05 0.98 -0.26 0.00 0.02 0.00 0.00 55.97 56.76 1b0g s LYS 94 Cb -0.15 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1b0g s LYS 94 CO 0.02 -0.12 0.81 -0.46 -0.92 0.00 0.00 175.35 174.68 1b0g s TRP 95 N -2.37 3.60 -0.21 3.18 -0.00 0.90 -4.87 118.94 119.18 1b0g s TRP 95 Ca 0.59 1.42 0.00 0.00 -0.00 0.00 0.00 56.10 58.11 1b0g s TRP 95 Cb -0.10 -2.93 0.05 0.00 -0.00 0.00 0.00 33.47 30.50 1b0g s TRP 95 CO 0.22 0.04 -0.07 0.34 -0.00 0.00 0.00 176.95 177.49 1b0g s ASP 96 N 0.89 3.44 0.41 5.86 2.15 -1.26 -4.72 116.67 123.43 1b0g s ASP 96 Ca 0.43 -0.95 0.20 0.00 0.43 0.00 0.00 52.55 52.65 1b0g s ASP 96 Cb -0.19 -1.11 1.07 0.00 -0.30 0.00 0.00 42.92 42.39 1b0g s ASP 96 CO 0.22 -0.20 1.55 0.08 -0.17 0.00 0.00 175.17 176.65 1b0g h ARG 97 N 8.01 0.00 -0.22 4.34 0.11 -1.95 0.30 114.38 124.97 1b0g h ARG 97 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1b0g h ARG 97 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1b0g h ARG 97 CO 0.43 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.25 1b0g n ASP 98 N -2.31 1.73 0.00 0.08 8.00 -1.26 -4.85 116.55 117.94 1b0g n ASP 98 Ca -0.01 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1b0g n ASP 98 Cb 0.26 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1b0g n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04