#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvo s GLN 2 N 0.00 1.50 -0.06 0.38 -0.21 -1.26 -4.91 119.66 115.10 2bvo s GLN 2 Ca 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 55.36 53.69 2bvo s GLN 2 Cb 0.00 -1.31 0.02 0.00 1.00 0.00 0.00 33.01 32.72 2bvo s GLN 2 CO 0.00 0.17 -0.09 1.03 -2.12 0.00 0.00 175.29 174.28 2bvo s ARG 3 N -3.64 1.37 0.23 2.91 0.52 0.55 -4.93 118.95 115.97 2bvo s ARG 3 Ca 0.27 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 55.00 2bvo s ARG 3 Cb -0.00 -1.19 -0.08 0.00 0.52 0.00 0.00 34.95 34.19 2bvo s ARG 3 CO 0.11 -0.02 0.72 -0.08 0.02 0.00 0.00 175.30 176.05 2bvo s THR 4 N 0.77 4.60 0.30 0.02 -1.32 -1.26 -1.15 115.64 117.61 2bvo s THR 4 Ca -0.13 1.21 -0.29 0.00 -1.21 0.00 0.00 61.69 61.27 2bvo s THR 4 Cb -0.15 -3.81 -0.10 0.00 -1.51 0.00 0.00 72.50 66.92 2bvo s THR 4 CO 0.02 0.15 1.25 -2.16 -2.21 0.00 0.00 174.62 171.67 2bvo s PRO 5 N -2.13 4.44 0.40 7.08 0.04 -1.26 -4.31 135.00 139.26 2bvo s PRO 5 Ca 0.44 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.34 2bvo s PRO 5 Cb -0.16 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 2bvo s PRO 5 CO 0.20 -0.08 0.95 0.15 0.04 0.00 0.00 177.00 178.27 2bvo s LYS 6 N -1.54 4.33 -0.05 4.56 1.02 0.12 -4.91 119.74 123.27 2bvo s LYS 6 Ca 0.48 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.68 2bvo s LYS 6 Cb -0.37 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2bvo s LYS 6 CO 0.48 0.05 -0.01 0.42 -0.92 0.00 0.00 175.35 175.37 2bvo s ILE 7 N -1.98 0.34 -0.05 2.17 1.01 -1.26 -1.71 121.20 119.72 2bvo s ILE 7 Ca 0.58 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.31 2bvo s ILE 7 Cb -0.13 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 2bvo s ILE 7 CO 0.17 0.21 -0.17 -1.10 0.00 0.00 0.00 174.94 174.05 2bvo s GLN 8 N 1.31 1.82 -0.12 2.79 -0.21 -0.55 -4.99 119.66 119.71 2bvo s GLN 8 Ca -0.05 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.77 2bvo s GLN 8 Cb -0.13 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.33 2bvo s GLN 8 CO -0.02 0.21 -0.21 0.08 -2.12 0.00 0.00 175.29 173.22 2bvo s VAL 9 N 0.15 1.93 0.20 1.09 1.01 -1.26 -0.48 120.40 123.03 2bvo s VAL 9 Ca -0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2bvo s VAL 9 Cb -0.12 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2bvo s VAL 9 CO 0.03 0.53 0.94 -0.72 0.00 0.00 0.00 175.10 175.87 2bvo s TYR 10 N 0.71 -0.06 0.21 5.22 1.13 -0.46 -4.49 117.35 119.61 2bvo s TYR 10 Ca -0.11 -0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.30 2bvo s TYR 10 Cb -0.16 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2bvo s TYR 10 CO 0.01 -0.97 0.06 -1.54 -2.51 0.00 0.00 175.55 170.61 2bvo s SER 11 N -3.07 5.00 0.21 -0.18 1.04 -1.26 0.08 113.70 115.52 2bvo s SER 11 Ca 0.15 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 2bvo s SER 11 Cb -0.02 -1.13 0.15 0.00 0.10 0.00 0.00 66.02 65.11 2bvo s SER 11 CO 0.04 0.04 1.83 -0.09 0.98 0.00 0.00 173.24 176.04 2bvo h ARG 12 N 2.23 1.05 -6.05 4.02 2.43 -1.56 -3.45 114.38 113.06 2bvo h ARG 12 Ca -0.47 -0.12 -0.56 0.00 -0.81 0.00 0.00 59.98 58.02 2bvo h ARG 12 Cb 1.22 -0.21 -0.15 0.00 -0.42 0.00 0.00 29.97 30.41 2bvo h ARG 12 CO 0.60 0.77 -0.76 -1.01 -1.51 0.00 0.00 179.97 178.06 2bvo s HIS 13 N -5.87 2.08 0.30 2.20 3.76 -1.26 -5.04 115.29 111.46 2bvo s HIS 13 Ca -0.13 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 2bvo s HIS 13 Cb 0.15 -0.94 -0.13 0.00 1.11 0.00 0.00 32.58 32.77 2bvo s HIS 13 CO 0.80 0.55 1.36 -0.35 -0.85 0.00 0.00 174.74 176.25 2bvo n PRO 14 N -0.36 2.13 -2.18 8.40 -0.04 -1.26 -4.86 135.00 136.84 2bvo n PRO 14 Ca -0.08 0.75 -0.41 0.00 -0.04 0.00 0.00 63.50 63.73 2bvo n PRO 14 Cb 0.59 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2bvo n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bvo s ALA 15 N -0.59 3.52 -0.13 0.55 0.00 -1.26 -5.01 121.76 118.83 2bvo s ALA 15 Ca 0.61 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.72 2bvo s ALA 15 Cb -0.60 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.10 2bvo s ALA 15 CO 0.56 -0.56 0.05 -2.00 0.00 0.00 0.00 175.76 173.80 2bvo s GLU 16 N -0.92 0.37 0.18 0.00 2.12 -1.26 -5.11 118.70 114.07 2bvo s GLU 16 Ca 0.53 -0.08 -0.33 0.00 0.36 0.00 0.00 54.97 55.45 2bvo s GLU 16 Cb -0.38 -1.52 -0.15 0.00 0.26 0.00 0.00 34.13 32.35 2bvo s GLU 16 CO 0.45 -0.52 1.39 0.09 -0.54 0.00 0.00 175.26 176.12 2bvo n ASN 17 N 5.17 2.35 0.00 -1.70 3.02 -1.26 -0.79 115.26 122.05 2bvo n ASN 17 Ca -0.07 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2bvo n ASN 17 Cb 0.49 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2bvo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bvo n GLY 18 N 2.50 1.63 3.59 7.41 0.00 0.54 -4.99 105.19 115.87 2bvo n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2bvo n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvo s LYS 19 N -0.01 3.90 0.56 1.61 -0.14 0.03 -4.97 119.74 120.71 2bvo s LYS 19 Ca 0.00 -0.38 -0.21 0.00 -1.36 0.00 0.00 55.97 54.02 2bvo s LYS 19 Cb 0.00 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 2bvo s LYS 19 CO 0.00 0.19 1.32 0.45 -0.76 0.00 0.00 175.35 176.55 2bvo s SER 20 N 0.58 5.26 0.20 2.83 0.15 -1.26 -4.20 113.70 117.26 2bvo s SER 20 Ca 0.03 2.66 -0.07 0.00 0.70 0.00 0.00 55.95 59.27 2bvo s SER 20 Cb -0.13 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2bvo s SER 20 CO 0.01 -1.57 0.40 -3.20 1.20 0.00 0.00 173.24 170.08 2bvo n ASN 21 N -1.15 -1.15 -4.15 5.45 2.85 0.82 -4.98 115.26 112.95 2bvo n ASN 21 Ca 0.11 -1.80 -0.27 0.00 -0.11 0.00 0.00 54.58 52.51 2bvo n ASN 21 Cb 0.46 1.92 -0.16 0.00 1.24 0.00 0.00 39.78 43.24 2bvo n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bvo s PHE 22 N -5.56 1.86 -0.22 1.20 0.08 -1.26 -1.07 117.98 113.00 2bvo s PHE 22 Ca 0.08 -0.57 -0.13 0.00 0.12 0.00 0.00 56.93 56.43 2bvo s PHE 22 Cb -0.02 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2bvo s PHE 22 CO 0.06 -0.20 0.25 -1.17 -0.10 0.00 0.00 175.22 174.06 2bvo s LEU 23 N 0.08 4.14 -0.02 -0.37 2.96 0.80 -1.25 118.68 125.03 2bvo s LEU 23 Ca -0.06 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 2bvo s LEU 23 Cb -0.13 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 2bvo s LEU 23 CO 0.03 0.02 -0.15 0.20 -1.32 0.00 0.00 176.35 175.13 2bvo s ASN 24 N 0.99 3.95 -0.21 3.68 0.01 0.11 -1.79 114.94 121.68 2bvo s ASN 24 Ca 0.12 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2bvo s ASN 24 Cb -0.14 -0.77 0.05 0.00 0.41 0.00 0.00 41.25 40.81 2bvo s ASN 24 CO 0.05 0.31 -0.05 0.00 -1.51 0.00 0.00 177.10 175.91 2bvo s TYR 26 N 1.49 3.22 -0.12 0.00 5.04 0.37 -0.83 117.35 126.52 2bvo s TYR 26 Ca -0.04 -0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 2bvo s TYR 26 Cb -0.18 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 2bvo s TYR 26 CO -0.07 -0.37 0.00 0.14 -1.34 0.00 0.00 175.55 173.91 2bvo s VAL 27 N 1.71 4.29 0.21 3.14 -7.23 0.12 -1.48 120.40 121.17 2bvo s VAL 27 Ca 0.06 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 2bvo s VAL 27 Cb -0.17 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 33.92 2bvo s VAL 27 CO 0.10 0.55 0.45 -0.94 -0.31 0.00 0.00 175.10 174.96 2bvo s SER 28 N -0.34 -0.12 -0.28 4.85 1.04 -0.69 -0.60 113.70 117.56 2bvo s SER 28 Ca 0.07 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2bvo s SER 28 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2bvo s SER 28 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2bvo n GLY 29 N -0.33 0.55 3.94 7.32 0.00 -0.35 0.11 105.19 116.43 2bvo n GLY 29 Ca -0.06 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2bvo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bvo s PHE 30 N -1.89 3.49 -0.26 1.61 -0.71 -1.20 -4.37 117.98 114.66 2bvo s PHE 30 Ca 0.00 0.16 -0.19 0.00 -1.04 0.00 0.00 56.93 55.86 2bvo s PHE 30 Cb 0.00 -1.70 0.07 0.00 -1.21 0.00 0.00 43.02 40.18 2bvo s PHE 30 CO 0.00 0.50 0.66 -1.58 -1.34 0.00 0.00 175.22 173.46 2bvo s HIS 31 N -1.74 -0.89 0.53 3.49 2.46 -0.30 -0.54 115.29 118.31 2bvo s HIS 31 Ca 0.35 1.92 -0.09 0.00 0.47 0.00 0.00 55.06 57.71 2bvo s HIS 31 Cb -0.11 0.44 0.13 0.00 -0.13 0.00 0.00 32.58 32.91 2bvo s HIS 31 CO 0.29 -0.44 0.53 -0.35 -2.47 0.00 0.00 174.74 172.30 2bvo n PRO 32 N 3.61 -1.61 0.13 2.88 -0.04 -1.26 -0.33 135.00 138.38 2bvo n PRO 32 Ca -0.18 -0.84 0.04 0.00 -0.04 0.00 0.00 63.50 62.49 2bvo n PRO 32 Cb 0.57 -0.72 0.02 0.00 -0.04 0.00 0.00 33.50 33.34 2bvo n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bvo h SER 33 N -1.52 0.00 -3.00 3.54 4.64 -1.99 -3.46 113.55 111.76 2bvo h SER 33 Ca -0.19 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.60 2bvo h SER 33 Cb 0.57 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.71 2bvo h SER 33 CO 0.13 0.39 0.86 -1.81 -0.87 0.00 0.00 176.83 175.53 2bvo s ASP 34 N -6.18 6.57 -0.09 4.97 1.01 -1.26 -4.97 116.67 116.71 2bvo s ASP 34 Ca 0.03 2.68 -0.21 0.00 0.71 0.00 0.00 52.55 55.76 2bvo s ASP 34 Cb 0.08 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.45 2bvo s ASP 34 CO 0.75 -0.81 0.49 -0.51 0.21 0.00 0.00 175.17 175.30 2bvo s ILE 35 N 0.75 0.02 -0.18 0.77 2.07 -1.26 -4.67 121.20 118.69 2bvo s ILE 35 Ca 0.67 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.74 2bvo s ILE 35 Cb -0.44 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.39 2bvo s ILE 35 CO 0.36 -0.09 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.47 2bvo s GLU 36 N -0.67 3.21 -0.07 3.50 2.12 -0.26 -5.01 118.70 121.52 2bvo s GLU 36 Ca -0.08 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.53 2bvo s GLU 36 Cb -0.03 -2.74 0.02 0.00 0.26 0.00 0.00 34.13 31.64 2bvo s GLU 36 CO 0.05 -0.12 -0.07 0.08 -0.54 0.00 0.00 175.26 174.65 2bvo s VAL 37 N 1.17 0.84 0.02 3.70 1.01 -1.26 -0.32 120.40 125.57 2bvo s VAL 37 Ca 0.02 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2bvo s VAL 37 Cb -0.14 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2bvo s VAL 37 CO -0.05 0.31 -0.25 -1.81 0.00 0.00 0.00 175.10 173.30 2bvo s ASP 38 N 1.13 2.94 -0.15 3.32 1.01 0.16 -4.98 116.67 120.11 2bvo s ASP 38 Ca -0.07 -0.53 -0.08 0.00 0.71 0.00 0.00 52.55 52.58 2bvo s ASP 38 Cb -0.14 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 2bvo s ASP 38 CO -0.01 0.26 0.14 -0.76 0.21 0.00 0.00 175.17 175.00 2bvo s LEU 39 N -1.01 4.31 -0.04 1.23 1.43 -1.26 -0.04 118.68 123.30 2bvo s LEU 39 Ca 0.10 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2bvo s LEU 39 Cb -0.10 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2bvo s LEU 39 CO 0.01 0.31 -0.19 -0.76 0.23 0.00 0.00 176.35 175.94 2bvo s LEU 40 N -0.41 2.44 -0.22 1.79 1.43 0.56 -0.50 118.68 123.76 2bvo s LEU 40 Ca 0.12 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2bvo s LEU 40 Cb -0.12 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.66 2bvo s LEU 40 CO 0.01 0.32 -0.11 -0.75 0.23 0.00 0.00 176.35 176.06 2bvo s LYS 41 N -0.59 2.90 -1.37 1.70 2.20 0.71 -1.75 119.74 123.53 2bvo s LYS 41 Ca 0.09 -0.92 -0.05 0.00 -0.36 0.00 0.00 55.97 54.73 2bvo s LYS 41 Cb -0.11 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 2bvo s LYS 41 CO 0.00 -0.33 0.44 0.09 -0.36 0.00 0.00 175.35 175.20 2bvo n ASN 42 N 4.64 -1.08 0.00 1.43 3.02 0.63 -1.31 115.26 122.59 2bvo n ASN 42 Ca -0.18 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2bvo n ASN 42 Cb 0.48 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2bvo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bvo n GLY 43 N -2.01 2.14 3.77 7.41 0.00 -1.26 -5.00 105.19 110.25 2bvo n GLY 43 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2bvo n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bvo s GLU 44 N -0.04 3.11 0.09 1.61 2.56 -0.42 -5.00 118.70 120.61 2bvo s GLU 44 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 54.97 54.27 2bvo s GLU 44 Cb 0.00 -2.90 -0.10 0.00 2.00 0.00 0.00 34.13 33.13 2bvo s GLU 44 CO 0.00 0.69 1.86 0.50 -0.56 0.00 0.00 175.26 177.76 2bvo s ARG 45 N -1.32 4.14 0.07 4.30 3.52 -1.26 -0.21 118.95 128.19 2bvo s ARG 45 Ca 0.18 2.59 -0.30 0.00 -0.13 0.00 0.00 55.73 58.07 2bvo s ARG 45 Cb -0.12 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 2bvo s ARG 45 CO 0.08 -0.88 1.02 0.42 -0.81 0.00 0.00 175.30 175.13 2bvo s ILE 46 N 3.30 4.49 0.01 4.11 1.01 0.34 -4.88 121.20 129.59 2bvo s ILE 46 Ca 0.83 1.93 -0.13 0.00 0.00 0.00 0.00 60.65 63.27 2bvo s ILE 46 Cb -0.45 -4.23 -0.34 0.00 0.01 0.00 0.00 42.46 37.46 2bvo s ILE 46 CO 0.38 0.23 0.92 -0.33 0.00 0.00 0.00 174.94 176.13 2bvo h GLU 47 N 6.14 0.47 -5.07 2.79 5.08 -1.94 -3.40 114.58 118.65 2bvo h GLU 47 Ca -0.42 -0.80 -0.71 0.00 -1.00 0.00 0.00 59.36 56.43 2bvo h GLU 47 Cb 1.21 0.30 -0.16 0.00 0.50 0.00 0.00 28.75 30.60 2bvo h GLU 47 CO 0.74 1.38 1.31 0.15 -1.00 0.00 0.00 179.01 181.59 2bvo s LYS 48 N -2.60 3.89 -0.09 2.33 3.01 -1.26 -4.94 119.74 120.08 2bvo s LYS 48 Ca -0.10 -2.16 0.01 0.00 -1.01 0.00 0.00 55.97 52.71 2bvo s LYS 48 Cb 0.05 -5.10 0.02 0.00 -1.01 0.00 0.00 37.83 31.79 2bvo s LYS 48 CO 0.91 -1.86 -0.11 0.08 0.51 0.00 0.00 175.35 174.88 2bvo s VAL 49 N 2.48 1.19 0.37 3.17 1.01 -1.26 -4.63 120.40 122.73 2bvo s VAL 49 Ca 0.41 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2bvo s VAL 49 Cb -0.02 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2bvo s VAL 49 CO -0.03 0.38 0.28 -1.61 0.00 0.00 0.00 175.10 174.13 2bvo s GLU 50 N 1.09 2.55 0.06 2.72 2.02 -0.57 -4.92 118.70 121.65 2bvo s GLU 50 Ca -0.06 -1.47 -0.08 0.00 0.02 0.00 0.00 54.97 53.37 2bvo s GLU 50 Cb -0.14 -2.34 -0.00 0.00 0.10 0.00 0.00 34.13 31.74 2bvo s GLU 50 CO -0.02 -0.02 0.17 -3.38 0.02 0.00 0.00 175.26 172.04 2bvo s HIS 51 N -2.41 0.13 0.95 1.61 -3.43 -1.26 -1.12 115.29 109.76 2bvo s HIS 51 Ca 0.43 -0.46 -0.12 0.00 -0.80 0.00 0.00 55.06 54.10 2bvo s HIS 51 Cb -0.03 -0.07 0.16 0.00 -1.43 0.00 0.00 32.58 31.21 2bvo s HIS 51 CO 0.26 -0.47 1.09 -1.54 -2.00 0.00 0.00 174.74 172.08 2bvo s SER 52 N -2.46 3.01 0.22 7.38 1.04 -0.22 -4.99 113.70 117.69 2bvo s SER 52 Ca -0.00 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 2bvo s SER 52 Cb 0.02 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 64.03 2bvo s SER 52 CO -0.07 -2.91 1.00 -1.81 0.98 0.00 0.00 173.24 170.43 2bvo s ASP 53 N -3.42 7.49 -0.01 7.02 1.01 -1.26 -4.76 116.67 122.74 2bvo s ASP 53 Ca 0.64 2.02 -0.34 0.00 0.71 0.00 0.00 52.55 55.58 2bvo s ASP 53 Cb -0.18 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.01 2bvo s ASP 53 CO 0.57 0.01 1.79 -0.11 0.21 0.00 0.00 175.17 177.64 2bvo n LEU 54 N 1.73 3.35 -4.27 1.23 7.94 -1.26 -4.95 117.00 120.76 2bvo n LEU 54 Ca -0.01 1.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.75 2bvo n LEU 54 Cb 0.47 -1.39 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 2bvo n LEU 54 CO 0.52 -0.12 -0.25 -0.44 -1.11 0.00 0.00 177.39 175.99 2bvo s SER 55 N 3.13 0.82 0.08 1.96 0.01 -1.23 -5.06 113.70 113.42 2bvo s SER 55 Ca 0.89 -1.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 2bvo s SER 55 Cb -0.69 0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 2bvo s SER 55 CO 0.47 -0.77 0.19 0.72 0.41 0.00 0.00 173.24 174.26 2bvo s PHE 56 N -3.90 0.15 0.69 2.43 -0.12 -1.26 -1.55 117.98 114.42 2bvo s PHE 56 Ca 0.38 -0.56 -0.03 0.00 -0.05 0.00 0.00 56.93 56.67 2bvo s PHE 56 Cb 0.07 -0.06 0.09 0.00 -0.63 0.00 0.00 43.02 42.49 2bvo s PHE 56 CO 0.13 -0.53 0.97 -1.12 -0.05 0.00 0.00 175.22 174.62 2bvo s SER 57 N -2.78 4.62 0.59 1.98 0.01 -0.03 -4.93 113.70 113.15 2bvo s SER 57 Ca 0.04 0.04 0.29 0.00 1.31 0.00 0.00 55.95 57.62 2bvo s SER 57 Cb 0.04 -0.60 1.71 0.00 0.21 0.00 0.00 66.02 67.38 2bvo s SER 57 CO -0.10 -1.68 2.15 0.11 0.41 0.00 0.00 173.24 174.13 2bvo h LYS 58 N -0.50 0.00 -0.38 12.44 1.57 -2.03 0.03 116.57 127.70 2bvo h LYS 58 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2bvo h LYS 58 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2bvo h LYS 58 CO 0.49 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.97 2bvo n ASP 59 N -3.82 1.91 0.00 0.86 5.68 -1.26 -4.91 116.55 115.01 2bvo n ASP 59 Ca 0.00 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 2bvo n ASP 59 Cb 0.25 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2bvo n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2bvo n TRP 60 N 0.44 0.00 -2.62 2.11 7.02 -0.00 -5.01 117.44 119.38 2bvo n TRP 60 Ca 0.11 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.24 2bvo n TRP 60 Cb 0.32 -0.19 -0.05 0.00 -2.42 0.00 0.00 31.31 28.97 2bvo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bvo s SER 61 N -3.26 6.69 0.50 -0.99 1.04 -1.26 -4.69 113.70 111.74 2bvo s SER 61 Ca 0.00 1.91 -0.04 0.00 0.48 0.00 0.00 55.95 58.30 2bvo s SER 61 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2bvo s SER 61 CO 0.00 -0.54 0.78 -0.36 0.98 0.00 0.00 173.24 174.10 2bvo s PHE 62 N -1.88 3.36 -0.04 5.02 0.08 0.30 -0.85 117.98 123.96 2bvo s PHE 62 Ca 0.62 0.57 -0.12 0.00 0.12 0.00 0.00 56.93 58.12 2bvo s PHE 62 Cb -0.17 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2bvo s PHE 62 CO 0.21 -0.46 0.27 1.52 -0.10 0.00 0.00 175.22 176.66 2bvo s TYR 63 N -2.75 -0.19 -0.04 0.36 -0.85 -0.60 -1.21 117.35 112.08 2bvo s TYR 63 Ca 0.49 0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 57.32 2bvo s TYR 63 Cb -0.10 0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.32 2bvo s TYR 63 CO 0.43 -0.30 0.18 -0.51 -1.52 0.00 0.00 175.55 173.83 2bvo s LEU 64 N -0.88 1.34 -0.23 -3.49 1.43 0.23 -3.54 118.68 113.54 2bvo s LEU 64 Ca -0.10 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2bvo s LEU 64 Cb -0.05 0.72 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 2bvo s LEU 64 CO 0.03 -0.23 0.00 -0.22 0.23 0.00 0.00 176.35 176.16 2bvo s LEU 65 N -0.64 3.12 -0.08 1.79 2.96 -1.26 -0.70 118.68 123.87 2bvo s LEU 65 Ca -0.07 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2bvo s LEU 65 Cb -0.04 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2bvo s LEU 65 CO 0.01 -0.03 0.13 -0.31 -1.32 0.00 0.00 176.35 174.83 2bvo s TYR 66 N 1.53 3.52 0.03 5.38 1.51 -0.01 -1.06 117.35 128.25 2bvo s TYR 66 Ca 0.06 0.44 -0.25 0.00 -1.01 0.00 0.00 57.07 56.30 2bvo s TYR 66 Cb -0.15 -1.89 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 2bvo s TYR 66 CO -0.01 0.68 0.58 1.52 -1.11 0.00 0.00 175.55 177.21 2bvo s TYR 67 N -1.09 -0.52 -0.05 2.71 1.13 -0.28 -0.55 117.35 118.70 2bvo s TYR 67 Ca 0.18 0.67 -0.21 0.00 -1.41 0.00 0.00 57.07 56.30 2bvo s TYR 67 Cb -0.12 0.39 0.04 0.00 -1.10 0.00 0.00 41.96 41.18 2bvo s TYR 67 CO 0.08 -0.66 0.46 -0.08 -2.51 0.00 0.00 175.55 172.84 2bvo s THR 68 N -2.19 0.03 0.34 -3.49 -1.32 -0.74 -1.52 115.64 106.76 2bvo s THR 68 Ca -0.07 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 59.88 2bvo s THR 68 Cb -0.01 -0.75 -0.10 0.00 -1.51 0.00 0.00 72.50 70.13 2bvo s THR 68 CO 0.01 -0.14 1.30 -1.61 -2.21 0.00 0.00 174.62 171.97 2bvo s GLU 69 N -1.08 4.33 0.06 7.08 2.02 -1.26 -0.14 118.70 129.71 2bvo s GLU 69 Ca -0.11 2.20 -0.15 0.00 0.02 0.00 0.00 54.97 56.93 2bvo s GLU 69 Cb -0.03 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.18 2bvo s GLU 69 CO 0.06 -0.21 0.34 -0.59 0.02 0.00 0.00 175.26 174.88 2bvo s PHE 70 N -1.15 -0.15 -0.39 1.61 -0.71 -0.24 -4.81 117.98 112.14 2bvo s PHE 70 Ca 0.50 -0.01 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 2bvo s PHE 70 Cb -0.39 0.14 0.11 0.00 -1.21 0.00 0.00 43.02 41.67 2bvo s PHE 70 CO 0.52 -0.56 0.14 0.99 -1.34 0.00 0.00 175.22 174.97 2bvo s THR 71 N -2.82 2.70 0.56 -4.49 2.01 -1.26 -0.13 115.64 112.21 2bvo s THR 71 Ca -0.03 -2.37 -0.20 0.00 0.31 0.00 0.00 61.69 59.40 2bvo s THR 71 Cb 0.00 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2bvo s THR 71 CO -0.05 -0.66 1.22 -2.16 -0.69 0.00 0.00 174.62 172.28 2bvo s PRO 72 N 0.83 3.16 0.19 4.92 0.04 -1.26 -4.75 135.00 138.13 2bvo s PRO 72 Ca 0.11 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.04 2bvo s PRO 72 Cb -0.21 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2bvo s PRO 72 CO -0.06 -1.07 0.04 0.25 0.04 0.00 0.00 177.00 176.20 2bvo n THR 73 N -1.28 0.00 -0.12 1.26 -2.24 -1.26 -0.34 114.28 110.30 2bvo n THR 73 Ca 0.12 -1.05 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 2bvo n THR 73 Cb 0.49 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2bvo n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2bvo h GLU 74 N 0.00 0.86 0.00 -0.78 4.81 -1.97 -3.38 114.58 114.12 2bvo h GLU 74 Ca -0.15 -0.43 -0.14 0.00 -0.13 0.00 0.00 59.36 58.50 2bvo h GLU 74 Cb 0.54 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2bvo h GLU 74 CO 0.25 1.07 -1.94 0.36 -0.73 0.00 0.00 179.01 178.03 2bvo n LYS 75 N -4.16 0.95 -1.81 1.92 2.85 -1.26 -4.96 118.16 111.69 2bvo n LYS 75 Ca -0.02 -0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.73 2bvo n LYS 75 Cb 0.49 -1.41 -0.03 0.00 -0.65 0.00 0.00 35.03 33.44 2bvo n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2bvo s ASP 76 N -4.46 6.45 -0.15 -5.58 1.01 -1.26 -4.98 116.67 107.70 2bvo s ASP 76 Ca -0.07 2.81 -0.06 0.00 0.71 0.00 0.00 52.55 55.95 2bvo s ASP 76 Cb 0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2bvo s ASP 76 CO 0.69 -0.90 0.05 -1.61 0.21 0.00 0.00 175.17 173.60 2bvo s GLU 77 N 0.63 3.63 0.14 8.23 2.02 -1.26 -4.72 118.70 127.38 2bvo s GLU 77 Ca 0.70 -0.34 0.11 0.00 0.02 0.00 0.00 54.97 55.45 2bvo s GLU 77 Cb -0.47 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2bvo s GLU 77 CO 0.37 0.45 -0.26 0.71 0.02 0.00 0.00 175.26 176.55 2bvo s TYR 78 N -0.15 2.27 0.20 1.61 2.02 -1.26 -0.27 117.35 121.77 2bvo s TYR 78 Ca 0.07 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 2bvo s TYR 78 Cb -0.12 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 2bvo s TYR 78 CO 0.01 0.36 0.52 0.00 -1.57 0.00 0.00 175.55 174.87 2bvo s ALA 79 N -1.21 -0.85 -0.08 3.71 0.00 -0.72 -0.21 121.76 122.40 2bvo s ALA 79 Ca 0.15 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2bvo s ALA 79 Cb -0.10 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 2bvo s ALA 79 CO 0.07 -0.81 -0.23 0.00 0.00 0.00 0.00 175.76 174.79 2bvo s ARG 81 N 0.18 3.21 -0.07 0.00 3.52 0.94 -0.95 118.95 125.78 2bvo s ARG 81 Ca -0.13 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2bvo s ARG 81 Cb -0.16 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 2bvo s ARG 81 CO 0.07 -0.00 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 2bvo s VAL 82 N 0.86 1.57 0.09 7.11 1.01 0.70 -0.66 120.40 131.09 2bvo s VAL 82 Ca -0.04 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.28 2bvo s VAL 82 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2bvo s VAL 82 CO -0.01 0.45 -0.23 0.21 0.00 0.00 0.00 175.10 175.52 2bvo s ASN 83 N 0.40 2.81 0.12 3.32 2.47 0.56 -0.06 114.94 124.55 2bvo s ASN 83 Ca -0.14 -0.67 -0.24 0.00 0.42 0.00 0.00 52.86 52.23 2bvo s ASN 83 Cb -0.16 -0.19 0.07 0.00 -1.45 0.00 0.00 41.25 39.52 2bvo s ASN 83 CO 0.05 0.13 0.61 -2.28 -3.72 0.00 0.00 177.10 171.89 2bvo s HIS 84 N -1.03 -0.55 0.43 0.43 5.65 -1.26 -1.10 115.29 117.85 2bvo s HIS 84 Ca 0.09 0.47 0.16 0.00 0.25 0.00 0.00 55.06 56.03 2bvo s HIS 84 Cb -0.10 0.52 1.06 0.00 -1.18 0.00 0.00 32.58 32.88 2bvo s HIS 84 CO 0.04 -0.80 1.90 0.28 -0.65 0.00 0.00 174.74 175.52 2bvo h VAL 85 N 2.22 0.76 0.00 0.89 2.07 -1.95 -0.95 116.25 119.28 2bvo h VAL 85 Ca -0.33 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2bvo h VAL 85 Cb 1.27 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2bvo h VAL 85 CO 0.39 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.40 2bvo n THR 86 N -4.48 0.83 -4.06 2.57 -2.24 -1.26 -4.70 114.28 100.93 2bvo n THR 86 Ca 0.16 0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.78 2bvo n THR 86 Cb 0.58 -0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 2bvo n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bvo s LEU 87 N -3.40 3.41 0.33 3.22 1.43 -0.36 -4.99 118.68 118.32 2bvo s LEU 87 Ca 0.07 -0.13 0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2bvo s LEU 87 Cb 0.11 -1.87 0.56 0.00 0.03 0.00 0.00 46.19 45.02 2bvo s LEU 87 CO 0.34 0.09 1.74 0.77 0.23 0.00 0.00 176.35 179.52 2bvo h SER 88 N 7.31 0.04 -5.16 2.29 4.64 -1.84 -3.43 113.55 117.40 2bvo h SER 88 Ca -0.36 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.83 2bvo h SER 88 Cb 1.18 -0.01 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 2bvo h SER 88 CO 0.63 0.49 -0.53 0.00 -0.87 0.00 0.00 176.83 176.55 2bvo s GLN 89 N -4.00 0.67 0.41 4.77 -2.07 -1.26 -5.14 119.66 113.04 2bvo s GLN 89 Ca -0.03 -0.98 -0.25 0.00 -1.82 0.00 0.00 55.36 52.29 2bvo s GLN 89 Cb 0.14 0.26 -0.11 0.00 -1.09 0.00 0.00 33.01 32.21 2bvo s GLN 89 CO 0.74 -0.17 1.07 -2.30 -1.32 0.00 0.00 175.29 173.32 2bvo n PRO 90 N 0.29 1.49 -3.73 9.60 -0.02 -1.26 -4.93 135.00 136.44 2bvo n PRO 90 Ca -0.16 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 2bvo n PRO 90 Cb 0.61 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 2bvo n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bvo s LYS 91 N -2.02 3.99 -0.17 -0.52 2.20 0.91 -4.90 119.74 119.24 2bvo s LYS 91 Ca 0.62 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2bvo s LYS 91 Cb -0.56 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 2bvo s LYS 91 CO 0.57 0.43 -0.11 0.42 -0.36 0.00 0.00 175.35 176.30 2bvo s ILE 92 N -0.04 3.03 -0.17 5.43 1.01 -1.26 -0.22 121.20 128.98 2bvo s ILE 92 Ca 0.12 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2bvo s ILE 92 Cb -0.12 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.06 2bvo s ILE 92 CO 0.01 0.49 -0.20 -0.69 0.00 0.00 0.00 174.94 174.55 2bvo s VAL 93 N 0.85 2.02 0.22 2.92 1.01 -0.13 -4.98 120.40 122.32 2bvo s VAL 93 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2bvo s VAL 93 Cb -0.15 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 2bvo s VAL 93 CO 0.00 0.53 0.96 -0.54 0.00 0.00 0.00 175.10 176.06 2bvo s LYS 94 N 1.27 4.81 0.03 2.72 1.02 -1.26 -0.78 119.74 127.55 2bvo s LYS 94 Ca 0.04 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 2bvo s LYS 94 Cb -0.13 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 2bvo s LYS 94 CO -0.12 0.44 1.56 -0.46 -0.92 0.00 0.00 175.35 175.84 2bvo s TRP 95 N -0.96 2.53 -0.23 3.18 -0.00 0.70 -4.89 118.94 119.28 2bvo s TRP 95 Ca 0.42 0.49 0.02 0.00 -0.00 0.00 0.00 56.10 57.03 2bvo s TRP 95 Cb -0.26 -3.84 0.04 0.00 -0.00 0.00 0.00 33.47 29.41 2bvo s TRP 95 CO 0.32 -3.33 -0.14 0.34 -0.00 0.00 0.00 176.95 174.14 2bvo s ASP 96 N 2.32 3.89 0.13 5.86 -1.08 -1.26 -4.73 116.67 121.80 2bvo s ASP 96 Ca 0.70 -1.04 0.09 0.00 -0.52 0.00 0.00 52.55 51.78 2bvo s ASP 96 Cb -0.36 -1.53 0.48 0.00 -1.46 0.00 0.00 42.92 40.05 2bvo s ASP 96 CO 0.30 -0.11 1.27 -1.14 0.52 0.00 0.00 175.17 176.01 2bvo n ARG 97 N 4.53 0.06 -0.51 4.34 0.63 -1.26 -1.28 116.66 123.17 2bvo n ARG 97 Ca -0.17 0.56 0.09 0.00 -0.92 0.00 0.00 57.85 57.40 2bvo n ARG 97 Cb 0.46 -1.69 0.30 0.00 0.45 0.00 0.00 32.46 31.98 2bvo n ARG 97 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2bvo n ASP 98 N -1.81 4.30 0.00 6.15 8.00 -1.26 -4.78 116.55 127.15 2bvo n ASP 98 Ca -0.01 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.01 2bvo n ASP 98 Cb 0.02 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2bvo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04