#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvu s PRO 5 N 0.00 2.90 0.32 7.34 0.02 -1.26 -4.87 135.00 139.46 2bvu s PRO 5 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 61.00 61.22 2bvu s PRO 5 Cb 0.00 -2.02 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 2bvu s PRO 5 CO 0.00 -1.01 1.45 -2.30 -0.33 0.00 0.00 177.00 174.81 2bvu n PRO 6 N -3.00 2.43 -1.39 5.54 -0.01 -1.26 -4.97 135.00 132.34 2bvu n PRO 6 Ca 0.07 0.86 -0.30 0.00 -0.01 0.00 0.00 63.50 64.11 2bvu n PRO 6 Cb 0.57 -2.55 0.22 0.00 -0.01 0.00 0.00 33.50 31.74 2bvu n PRO 6 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 2bvu s GLY 7 N 0.05 1.66 0.55 -1.23 0.00 -1.26 -5.01 107.32 102.08 2bvu s GLY 7 Ca 0.59 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 2bvu s GLY 7 CO 0.57 -0.21 0.81 -0.35 0.00 0.00 0.00 173.10 173.92 2bvu s ASP 8 N -4.28 5.46 0.24 1.64 3.68 -1.26 -4.76 116.67 117.40 2bvu s ASP 8 Ca 0.72 0.34 0.11 0.00 2.13 0.00 0.00 52.55 55.85 2bvu s ASP 8 Cb -0.07 -1.33 -0.05 0.00 -1.45 0.00 0.00 42.92 40.02 2bvu s ASP 8 CO 0.55 -1.05 -0.20 0.27 0.13 0.00 0.00 175.17 174.87 2bvu s ILE 9 N -2.83 2.27 -0.16 4.11 -4.36 -1.26 -1.30 121.20 117.68 2bvu s ILE 9 Ca 0.54 -2.27 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 2bvu s ILE 9 Cb -0.10 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 2bvu s ILE 9 CO 0.41 -0.38 -0.11 0.20 0.24 0.00 0.00 174.94 175.30 2bvu s ASN 10 N -3.25 4.09 0.12 4.36 0.01 -0.74 -4.88 114.94 114.65 2bvu s ASN 10 Ca 0.26 -0.35 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2bvu s ASN 10 Cb -0.05 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.92 2bvu s ASN 10 CO 0.12 0.11 -0.16 0.42 -1.51 0.00 0.00 177.10 176.08 2bvu s THR 11 N 0.68 2.96 -0.11 1.60 -4.23 -1.26 -1.67 115.64 113.62 2bvu s THR 11 Ca -0.05 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2bvu s THR 11 Cb -0.15 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2bvu s THR 11 CO 0.02 0.09 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.03 2bvu s GLN 12 N -2.20 1.38 1.02 3.99 -0.21 -0.89 -2.35 119.66 120.39 2bvu s GLN 12 Ca 0.19 -0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.26 2bvu s GLN 12 Cb -0.11 -1.48 0.20 0.00 1.00 0.00 0.00 33.01 32.63 2bvu s GLN 12 CO 0.11 -0.27 1.10 -1.25 -2.12 0.00 0.00 175.29 172.86 2bvu s PRO 13 N 1.72 0.23 0.03 2.91 0.04 -1.26 -1.75 135.00 136.92 2bvu s PRO 13 Ca 0.04 1.26 0.18 0.00 0.04 0.00 0.00 61.00 62.52 2bvu s PRO 13 Cb -0.13 -1.66 -0.16 0.00 0.04 0.00 0.00 34.50 32.60 2bvu s PRO 13 CO -0.07 -3.08 0.71 -1.13 0.04 0.00 0.00 177.00 173.47 2bvu n SER 14 N -4.51 0.67 0.00 6.66 3.41 -0.99 -4.65 113.62 114.20 2bvu n SER 14 Ca 0.08 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2bvu n SER 14 Cb 0.53 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2bvu n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bvu n GLN 15 N -2.80 2.39 -3.65 4.33 6.02 -1.26 -4.82 117.38 117.58 2bvu n GLN 15 Ca -0.11 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 56.86 2bvu n GLN 15 Cb 0.83 -0.19 -0.01 0.00 1.02 0.00 0.00 30.24 31.89 2bvu n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2bvu s LYS 16 N -0.34 0.66 0.04 -1.09 -2.85 -1.26 -4.30 119.74 110.60 2bvu s LYS 16 Ca 0.00 -0.35 0.06 0.00 -1.00 0.00 0.00 55.97 54.68 2bvu s LYS 16 Cb 0.00 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2bvu s LYS 16 CO 0.00 -0.30 -0.19 -1.50 0.10 0.00 0.00 175.35 173.46 2bvu s ILE 17 N -2.73 1.50 -0.07 3.79 2.07 -0.16 -4.49 121.20 121.11 2bvu s ILE 17 Ca 0.13 -1.10 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 2bvu s ILE 17 Cb 0.02 -1.31 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 2bvu s ILE 17 CO -0.02 0.17 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.30 2bvu s VAL 18 N -0.77 2.54 -0.37 4.00 1.01 -1.26 -0.25 120.40 125.31 2bvu s VAL 18 Ca 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2bvu s VAL 18 Cb -0.08 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2bvu s VAL 18 CO 0.01 0.57 0.13 -0.36 0.00 0.00 0.00 175.10 175.45 2bvu s PHE 19 N -0.21 3.39 0.16 5.22 0.08 0.81 -4.94 117.98 122.49 2bvu s PHE 19 Ca -0.01 -1.93 -0.30 0.00 0.12 0.00 0.00 56.93 54.81 2bvu s PHE 19 Cb -0.13 -2.68 -0.07 0.00 -0.57 0.00 0.00 43.02 39.56 2bvu s PHE 19 CO 0.03 -0.86 1.17 -0.80 -0.10 0.00 0.00 175.22 174.66 2bvu s ASN 20 N 1.63 7.14 0.90 1.36 0.01 -1.26 -1.81 114.94 122.91 2bvu s ASN 20 Ca 0.02 2.15 -0.10 0.00 -0.71 0.00 0.00 52.86 54.21 2bvu s ASN 20 Cb -0.21 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 38.98 2bvu s ASN 20 CO -0.01 -0.34 1.13 0.00 -1.51 0.00 0.00 177.10 176.36 2bvu s ALA 21 N 0.09 1.54 0.49 0.60 0.00 -0.08 -4.67 121.76 119.72 2bvu s ALA 21 Ca 0.53 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 2bvu s ALA 21 Cb -0.31 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 2bvu s ALA 21 CO 0.35 -2.59 0.92 -1.25 0.00 0.00 0.00 175.76 173.19 2bvu s PRO 22 N -4.71 3.88 -0.55 0.00 0.05 -1.26 -5.01 135.00 127.40 2bvu s PRO 22 Ca 0.65 0.80 0.04 0.00 0.05 0.00 0.00 61.00 62.53 2bvu s PRO 22 Cb -0.21 -2.21 0.40 0.00 0.05 0.00 0.00 34.50 32.52 2bvu s PRO 22 CO 0.58 -0.21 1.28 0.66 0.05 0.00 0.00 177.00 179.36 2bvu n TYR 23 N -1.55 3.39 -0.49 0.56 4.01 -1.26 -4.68 117.16 117.13 2bvu n TYR 23 Ca 0.05 -3.05 0.10 0.00 -0.16 0.00 0.00 57.90 54.85 2bvu n TYR 23 Cb 0.54 -0.36 0.33 0.00 -0.31 0.00 0.00 39.34 39.54 2bvu n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2bvu n ASP 24 N -0.46 4.28 -1.81 7.72 9.92 -1.26 -2.78 116.55 132.16 2bvu n ASP 24 Ca 0.41 -2.22 -0.05 0.00 -0.53 0.00 0.00 54.79 52.40 2bvu n ASP 24 Cb 0.54 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 2bvu n ASP 24 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2bvu n ASP 25 N 1.31 0.46 -4.11 -2.24 8.00 -1.26 -4.91 116.55 113.80 2bvu n ASP 25 Ca 0.24 -1.52 -0.37 0.00 0.71 0.00 0.00 54.79 53.86 2bvu n ASP 25 Cb 0.74 0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.05 2bvu n ASP 25 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2bvu s LYS 26 N -2.35 2.30 0.73 -1.24 2.20 -1.26 -2.15 119.74 117.96 2bvu s LYS 26 Ca 0.07 -2.16 -0.05 0.00 -0.36 0.00 0.00 55.97 53.47 2bvu s LYS 26 Cb 0.00 -3.67 0.11 0.00 -1.51 0.00 0.00 37.83 32.76 2bvu s LYS 26 CO 0.05 -1.13 1.02 -1.01 -0.36 0.00 0.00 175.35 173.92 2bvu s HIS 27 N 0.57 2.15 -0.21 4.03 3.76 -1.19 -4.91 115.29 119.49 2bvu s HIS 27 Ca 0.12 0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 2bvu s HIS 27 Cb -0.22 -3.20 0.07 0.00 1.11 0.00 0.00 32.58 30.35 2bvu s HIS 27 CO -0.04 -1.65 0.06 0.99 -0.85 0.00 0.00 174.74 173.25 2bvu s THR 28 N -3.23 0.40 0.45 1.30 2.01 -1.26 -2.73 115.64 112.58 2bvu s THR 28 Ca 0.64 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 2bvu s THR 28 Cb -0.07 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2bvu s THR 28 CO 0.45 -0.33 0.72 -0.31 -0.69 0.00 0.00 174.62 174.46 2bvu s TYR 29 N 1.90 3.49 0.09 4.92 1.51 -0.34 -4.91 117.35 124.01 2bvu s TYR 29 Ca 0.02 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.76 2bvu s TYR 29 Cb -0.17 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 2bvu s TYR 29 CO -0.13 -0.22 -0.18 -1.01 -1.11 0.00 0.00 175.55 172.90 2bvu s HIS 30 N -2.63 1.56 -0.02 2.71 3.76 -1.26 -0.05 115.29 119.36 2bvu s HIS 30 Ca 0.46 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2bvu s HIS 30 Cb -0.10 -0.86 0.01 0.00 1.11 0.00 0.00 32.58 32.73 2bvu s HIS 30 CO 0.42 0.15 -0.05 0.42 -0.85 0.00 0.00 174.74 174.82 2bvu s ILE 31 N -1.24 0.51 -0.22 0.60 1.01 0.94 -4.67 121.20 118.14 2bvu s ILE 31 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2bvu s ILE 31 Cb -0.10 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 2bvu s ILE 31 CO 0.03 0.18 0.12 -0.75 0.00 0.00 0.00 174.94 174.52 2bvu s LYS 32 N 0.31 4.04 -0.15 2.79 2.20 -0.72 -0.53 119.74 127.68 2bvu s LYS 32 Ca -0.04 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2bvu s LYS 32 Cb -0.08 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2bvu s LYS 32 CO -0.00 0.14 -0.10 0.42 -0.36 0.00 0.00 175.35 175.45 2bvu s ILE 33 N 0.78 3.23 0.07 5.43 1.01 -0.20 -2.11 121.20 129.42 2bvu s ILE 33 Ca 0.06 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2bvu s ILE 33 Cb -0.13 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2bvu s ILE 33 CO 0.02 0.50 -0.21 -0.89 0.00 0.00 0.00 174.94 174.36 2bvu s THR 34 N 0.59 1.71 -0.37 2.92 2.01 -0.67 -0.89 115.64 120.94 2bvu s THR 34 Ca -0.06 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.39 2bvu s THR 34 Cb -0.15 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.84 2bvu s THR 34 CO 0.03 0.09 0.50 0.21 -0.69 0.00 0.00 174.62 174.76 2bvu s ASN 35 N -1.53 6.28 0.00 3.53 3.84 -1.14 -1.78 114.94 124.14 2bvu s ASN 35 Ca 0.07 -0.18 0.23 0.00 0.21 0.00 0.00 52.86 53.18 2bvu s ASN 35 Cb -0.09 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2bvu s ASN 35 CO 0.03 -0.51 1.09 0.00 -2.79 0.00 0.00 177.10 174.91 2bvu n ALA 36 N 5.74 3.90 -1.84 1.71 0.00 -0.42 -1.14 120.51 128.46 2bvu n ALA 36 Ca -0.05 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 2bvu n ALA 36 Cb 0.49 -0.83 0.17 0.00 0.00 0.00 0.00 19.45 19.27 2bvu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bvu n GLY 37 N 1.44 -1.25 0.70 0.00 0.00 -0.89 -4.71 105.19 100.48 2bvu n GLY 37 Ca 0.08 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.40 2bvu n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bvu n GLY 38 N -2.20 5.18 2.93 -0.02 0.00 -1.26 -4.47 105.19 105.34 2bvu n GLY 38 Ca 0.14 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2bvu n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bvu s ARG 39 N -3.25 0.08 0.40 1.61 3.00 -1.26 -4.96 118.95 114.56 2bvu s ARG 39 Ca 0.39 0.19 -0.24 0.00 0.00 0.00 0.00 55.73 56.07 2bvu s ARG 39 Cb 0.37 -0.04 -0.12 0.00 0.00 0.00 0.00 34.95 35.16 2bvu s ARG 39 CO -0.06 -0.07 0.69 -2.13 0.00 0.00 0.00 175.30 173.74 2bvu n ARG 40 N 3.44 0.78 -4.17 3.54 0.63 -1.26 -4.49 116.66 115.13 2bvu n ARG 40 Ca -0.17 0.28 -0.10 0.00 -0.92 0.00 0.00 57.85 56.93 2bvu n ARG 40 Cb 0.56 -1.63 -0.10 0.00 0.45 0.00 0.00 32.46 31.75 2bvu n ARG 40 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2bvu s ILE 41 N -1.36 0.22 -0.02 5.15 -4.36 -0.47 -2.60 121.20 117.76 2bvu s ILE 41 Ca 0.63 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 2bvu s ILE 41 Cb -0.62 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 2bvu s ILE 41 CO 0.58 -0.47 -0.22 -0.83 0.24 0.00 0.00 174.94 174.24 2bvu s GLY 42 N -3.07 1.39 0.17 6.27 0.00 -0.66 -0.99 107.32 110.42 2bvu s GLY 42 Ca 0.24 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2bvu s GLY 42 CO 0.02 -0.91 0.01 0.66 0.00 0.00 0.00 173.10 172.88 2bvu s TRP 43 N -0.69 1.16 -0.28 1.90 1.48 0.11 -2.35 118.94 120.27 2bvu s TRP 43 Ca 0.11 -1.04 -0.21 0.00 -1.06 0.00 0.00 56.10 53.89 2bvu s TRP 43 Cb -0.10 -0.66 0.11 0.00 -1.16 0.00 0.00 33.47 31.65 2bvu s TRP 43 CO 0.00 -0.25 0.88 0.00 -4.06 0.00 0.00 176.95 173.52 2bvu s ALA 44 N -3.70 -1.97 -0.10 2.67 0.00 -0.06 -1.72 121.76 116.87 2bvu s ALA 44 Ca 0.24 2.09 0.01 0.00 0.00 0.00 0.00 51.96 54.30 2bvu s ALA 44 Cb 0.06 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2bvu s ALA 44 CO 0.04 -0.31 -0.14 0.42 0.00 0.00 0.00 175.76 175.77 2bvu s ILE 45 N 0.76 3.04 0.03 0.00 1.01 -0.32 -1.83 121.20 123.89 2bvu s ILE 45 Ca -0.03 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.02 2bvu s ILE 45 Cb -0.05 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2bvu s ILE 45 CO -0.09 0.55 -0.24 -0.54 0.00 0.00 0.00 174.94 174.62 2bvu s LYS 46 N 0.01 1.73 0.54 2.79 3.01 -0.69 -4.86 119.74 122.27 2bvu s LYS 46 Ca -0.04 -0.99 0.06 0.00 -1.01 0.00 0.00 55.97 53.99 2bvu s LYS 46 Cb -0.14 -1.82 0.04 0.00 -1.01 0.00 0.00 37.83 34.90 2bvu s LYS 46 CO 0.04 0.48 0.46 0.95 0.51 0.00 0.00 175.35 177.79 2bvu s THR 47 N -0.73 1.79 -2.28 2.17 -4.23 -1.26 -1.20 115.64 109.90 2bvu s THR 47 Ca 0.10 -1.41 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 2bvu s THR 47 Cb -0.09 -2.20 0.51 0.00 1.34 0.00 0.00 72.50 72.05 2bvu s THR 47 CO 0.01 0.00 1.46 0.35 -0.54 0.00 0.00 174.62 175.90 2bvu n THR 48 N -1.82 0.68 -3.45 3.99 -2.24 -1.19 -4.76 114.28 105.50 2bvu n THR 48 Ca 0.01 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.72 2bvu n THR 48 Cb 0.64 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2bvu n THR 48 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bvu s ASN 49 N -1.29 2.60 0.03 3.42 3.84 -1.26 -4.98 114.94 117.30 2bvu s ASN 49 Ca 0.42 -1.81 -0.27 0.00 0.21 0.00 0.00 52.86 51.42 2bvu s ASN 49 Cb 0.24 -0.12 -0.17 0.00 -0.55 0.00 0.00 41.25 40.64 2bvu s ASN 49 CO 0.32 -0.33 1.37 0.00 -2.79 0.00 0.00 177.10 175.68 2bvu h MET 50 N 7.35 -0.51 -0.63 0.43 -0.00 -1.86 0.55 114.93 120.26 2bvu h MET 50 Ca 0.00 0.04 0.16 0.00 -0.00 0.00 0.00 59.70 59.89 2bvu h MET 50 Cb 1.00 0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.69 2bvu h MET 50 CO 0.28 -0.23 0.44 0.00 -0.00 0.00 0.00 176.91 177.40 2bvu h ARG 51 N -0.76 0.14 0.00 -0.10 3.08 -2.01 -3.32 114.38 111.41 2bvu h ARG 51 Ca -0.05 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 2bvu h ARG 51 Cb 0.52 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2bvu h ARG 51 CO 0.09 0.09 -1.68 -2.13 -1.07 0.00 0.00 179.97 175.27 2bvu n ARG 52 N -4.41 0.43 -3.71 0.04 0.63 -1.21 -4.90 116.66 103.53 2bvu n ARG 52 Ca 0.12 0.18 -0.30 0.00 -0.92 0.00 0.00 57.85 56.93 2bvu n ARG 52 Cb 0.60 -1.23 -0.04 0.00 0.45 0.00 0.00 32.46 32.23 2bvu n ARG 52 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bvu s LEU 53 N -7.33 4.26 -0.26 6.15 1.43 0.18 -2.25 118.68 120.86 2bvu s LEU 53 Ca -0.27 0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 53.10 2bvu s LEU 53 Cb 0.08 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 43.16 2bvu s LEU 53 CO 0.35 0.03 0.68 -0.94 0.23 0.00 0.00 176.35 176.71 2bvu s SER 54 N -2.70 -0.80 0.18 2.29 1.04 -1.05 -4.37 113.70 108.29 2bvu s SER 54 Ca 0.39 1.43 0.08 0.00 0.48 0.00 0.00 55.95 58.34 2bvu s SER 54 Cb -0.12 1.39 -0.04 0.00 0.10 0.00 0.00 66.02 67.35 2bvu s SER 54 CO 0.27 -0.24 -0.06 -0.69 0.98 0.00 0.00 173.24 173.49 2bvu s VAL 55 N 0.87 3.35 -0.30 5.02 1.01 -1.26 -1.44 120.40 127.65 2bvu s VAL 55 Ca -0.04 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 2bvu s VAL 55 Cb -0.05 -2.67 0.16 0.00 0.00 0.00 0.00 36.38 33.82 2bvu s VAL 55 CO -0.07 -0.12 0.64 -0.62 0.00 0.00 0.00 175.10 174.92 2bvu s ASP 56 N -2.91 -1.25 0.67 3.32 -1.08 -0.96 -3.83 116.67 110.65 2bvu s ASP 56 Ca 0.26 1.20 -0.16 0.00 -0.52 0.00 0.00 52.55 53.34 2bvu s ASP 56 Cb -0.09 2.22 0.01 0.00 -1.46 0.00 0.00 42.92 43.60 2bvu s ASP 56 CO 0.16 -0.24 1.16 -2.16 0.52 0.00 0.00 175.17 174.62 2bvu s PRO 57 N 2.87 2.59 0.00 4.34 0.04 -1.26 -1.63 135.00 141.96 2bvu s PRO 57 Ca 0.07 1.60 0.23 0.00 0.04 0.00 0.00 61.00 62.95 2bvu s PRO 57 Cb -0.13 -1.91 0.82 0.00 0.04 0.00 0.00 34.50 33.32 2bvu s PRO 57 CO -0.20 -1.45 1.60 -0.35 0.04 0.00 0.00 177.00 176.64 2bvu n PRO 58 N -2.37 1.76 -3.92 0.56 -0.04 -1.25 -4.84 135.00 124.90 2bvu n PRO 58 Ca 0.12 -1.13 -0.02 0.00 -0.04 0.00 0.00 63.50 62.43 2bvu n PRO 58 Cb 0.51 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2bvu n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bvu n GLY 60 N -0.76 -2.43 3.20 0.00 0.00 -0.70 -4.96 105.19 99.54 2bvu n GLY 60 Ca -0.01 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 2bvu n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bvu s VAL 61 N -2.18 1.49 -0.12 1.61 1.01 -1.26 -0.71 120.40 120.23 2bvu s VAL 61 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2bvu s VAL 61 Cb 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.17 2bvu s VAL 61 CO 0.00 0.32 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 2bvu s LEU 62 N -0.70 0.07 1.31 3.92 1.02 -0.16 -5.01 118.68 119.13 2bvu s LEU 62 Ca 0.07 -0.09 -0.20 0.00 0.02 0.00 0.00 54.13 53.93 2bvu s LEU 62 Cb -0.08 0.07 0.31 0.00 0.02 0.00 0.00 46.19 46.51 2bvu s LEU 62 CO 0.00 -0.29 0.72 0.47 0.02 0.00 0.00 176.35 177.27 2bvu n ASP 63 N 5.31 -3.45 -4.77 2.29 8.00 -1.26 -1.37 116.55 121.30 2bvu n ASP 63 Ca -0.05 -0.61 -0.38 0.00 0.71 0.00 0.00 54.79 54.45 2bvu n ASP 63 Cb 0.50 -0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 2bvu n ASP 63 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2bvu s PRO 64 N -4.49 4.38 0.00 -0.24 0.02 -1.26 -3.43 135.00 129.98 2bvu s PRO 64 Ca 0.59 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2bvu s PRO 64 Cb -0.13 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.56 2bvu s PRO 64 CO 0.53 0.02 0.00 1.63 -0.33 0.00 0.00 177.00 178.85 2bvu n LYS 65 N 0.49 0.00 -2.41 5.54 5.02 -0.29 -4.99 118.16 121.52 2bvu n LYS 65 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 2bvu n LYS 65 Cb 0.48 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 2bvu n LYS 65 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2bvu s GLU 66 N 0.00 4.51 0.43 1.97 2.12 -1.22 -4.75 118.70 121.76 2bvu s GLU 66 Ca 0.00 1.84 0.08 0.00 0.36 0.00 0.00 54.97 57.24 2bvu s GLU 66 Cb 0.00 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 2bvu s GLU 66 CO 0.00 -0.06 0.46 0.15 -0.54 0.00 0.00 175.26 175.27 2bvu s LYS 67 N -0.20 2.61 -0.26 4.30 1.02 -1.26 -2.91 119.74 123.04 2bvu s LYS 67 Ca 0.52 -1.46 -0.14 0.00 0.02 0.00 0.00 55.97 54.91 2bvu s LYS 67 Cb -0.32 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2bvu s LYS 67 CO 0.36 -0.27 0.63 0.54 -0.92 0.00 0.00 175.35 175.68 2bvu s VAL 68 N -2.45 -0.10 -0.05 3.17 0.11 -0.07 -4.98 120.40 116.03 2bvu s VAL 68 Ca 0.51 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.39 2bvu s VAL 68 Cb -0.06 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2bvu s VAL 68 CO 0.30 0.01 0.53 -0.22 -3.33 0.00 0.00 175.10 172.39 2bvu s LEU 69 N 1.72 4.37 0.18 2.54 2.96 -1.26 -1.03 118.68 128.15 2bvu s LEU 69 Ca -0.09 1.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 2bvu s LEU 69 Cb -0.06 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 2bvu s LEU 69 CO -0.18 0.09 0.07 0.00 -1.32 0.00 0.00 176.35 175.00 2bvu s MET 70 N 0.02 1.11 -0.19 1.98 0.23 0.31 -4.77 119.30 117.99 2bvu s MET 70 Ca 0.29 -1.56 0.01 0.00 -1.03 0.00 0.00 55.69 53.39 2bvu s MET 70 Cb -0.17 0.08 0.04 0.00 -1.53 0.00 0.00 34.83 33.25 2bvu s MET 70 CO 0.14 -0.28 -0.10 0.00 -2.03 0.00 0.00 175.02 172.76 2bvu s ALA 71 N -3.96 1.90 -0.04 3.16 0.00 -0.64 -0.04 121.76 122.12 2bvu s ALA 71 Ca 0.30 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2bvu s ALA 71 Cb 0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2bvu s ALA 71 CO 0.07 -0.75 0.39 0.08 0.00 0.00 0.00 175.76 175.55 2bvu s VAL 72 N 1.45 5.11 -0.20 0.00 1.01 0.93 -2.26 120.40 126.43 2bvu s VAL 72 Ca -0.00 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2bvu s VAL 72 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2bvu s VAL 72 CO -0.08 0.51 -0.12 -0.44 0.00 0.00 0.00 175.10 174.97 2bvu s SER 73 N -0.60 3.75 -0.23 3.32 0.01 -0.52 -1.20 113.70 118.24 2bvu s SER 73 Ca 0.23 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 2bvu s SER 73 Cb -0.16 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 2bvu s SER 73 CO 0.11 -0.01 0.08 0.00 0.41 0.00 0.00 173.24 173.84 2bvu s ASP 75 N 1.13 5.41 0.26 0.00 1.11 -0.95 -3.14 116.67 120.48 2bvu s ASP 75 Ca 0.05 1.38 -0.28 0.00 0.18 0.00 0.00 52.55 53.88 2bvu s ASP 75 Cb -0.14 -2.25 -0.15 0.00 1.07 0.00 0.00 42.92 41.45 2bvu s ASP 75 CO 0.04 -1.39 0.79 0.41 1.18 0.00 0.00 175.17 176.20 2bvu n THR 76 N -3.07 1.99 -3.55 -1.27 -1.04 -0.91 -4.83 114.28 101.59 2bvu n THR 76 Ca 0.07 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.57 2bvu n THR 76 Cb 0.55 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 2bvu n THR 76 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2bvu s PHE 77 N -1.06 -0.92 0.17 -1.42 -0.71 -1.12 -5.04 117.98 107.89 2bvu s PHE 77 Ca 0.61 1.65 -0.32 0.00 -1.04 0.00 0.00 56.93 57.83 2bvu s PHE 77 Cb -0.79 0.55 -0.11 0.00 -1.21 0.00 0.00 43.02 41.46 2bvu s PHE 77 CO 0.58 -0.45 1.78 0.09 -1.34 0.00 0.00 175.22 175.88 2bvu n ASN 78 N 4.80 4.03 0.09 1.98 3.02 -1.26 -4.86 115.26 123.06 2bvu n ASN 78 Ca -0.13 1.03 -0.05 0.00 -0.03 0.00 0.00 54.58 55.40 2bvu n ASN 78 Cb 0.53 -1.56 0.12 0.00 -0.61 0.00 0.00 39.78 38.26 2bvu n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bvu h ALA 79 N 7.61 0.84 0.00 5.41 0.00 -1.95 -2.09 119.26 129.08 2bvu h ALA 79 Ca -0.45 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2bvu h ALA 79 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bvu h ALA 79 CO 0.95 0.75 -0.58 0.00 0.00 0.00 0.00 179.25 180.37 2bvu n ALA 80 N -2.46 3.23 0.16 0.00 0.00 -1.26 -4.08 120.51 116.10 2bvu n ALA 80 Ca -0.02 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.20 2bvu n ALA 80 Cb 0.63 -0.37 0.55 0.00 0.00 0.00 0.00 19.45 20.26 2bvu n ALA 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bvu h THR 81 N 0.00 1.05 -4.10 0.00 2.02 -1.93 -3.45 112.91 106.50 2bvu h THR 81 Ca 0.00 -0.13 -0.59 0.00 0.77 0.00 0.00 66.41 66.46 2bvu h THR 81 Cb 0.27 0.85 -0.25 0.00 -1.74 0.00 0.00 68.15 67.28 2bvu h THR 81 CO 0.00 0.05 -0.84 -1.61 0.37 0.00 0.00 175.52 173.49 2bvu s GLU 82 N -5.18 1.36 0.07 6.66 2.02 -0.80 -5.04 118.70 117.79 2bvu s GLU 82 Ca -0.06 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 2bvu s GLU 82 Cb 0.17 -1.54 -0.06 0.00 0.10 0.00 0.00 34.13 32.81 2bvu s GLU 82 CO 0.70 0.38 1.17 1.03 0.02 0.00 0.00 175.26 178.56 2bvu s ARG 83 N -1.42 4.46 0.00 1.61 0.52 -1.26 -4.83 118.95 118.03 2bvu s ARG 83 Ca 0.08 1.74 0.06 0.00 -0.52 0.00 0.00 55.73 57.09 2bvu s ARG 83 Cb -0.09 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 32.09 2bvu s ARG 83 CO 0.03 -0.21 0.71 1.28 0.02 0.00 0.00 175.30 177.14 2bvu n LEU 84 N 3.73 1.55 -0.00 2.53 4.77 -1.26 -4.73 117.00 123.59 2bvu n LEU 84 Ca 0.08 -1.07 0.08 0.00 -0.03 0.00 0.00 56.01 55.07 2bvu n LEU 84 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2bvu n LEU 84 CO 0.55 0.33 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.63 2bvu n ASN 85 N 0.31 0.83 -0.16 -1.43 5.15 -1.26 -4.46 115.26 114.24 2bvu n ASN 85 Ca 0.04 -0.80 0.01 0.00 -0.60 0.00 0.00 54.58 53.23 2bvu n ASN 85 Cb 0.16 1.09 0.04 0.00 -0.53 0.00 0.00 39.78 40.54 2bvu n ASN 85 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2bvu n ASN 86 N -1.49 2.16 -4.90 1.20 4.13 -1.26 -5.04 115.26 110.06 2bvu n ASN 86 Ca 0.02 -1.94 -0.28 0.00 1.68 0.00 0.00 54.58 54.07 2bvu n ASN 86 Cb 0.29 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.46 2bvu n ASN 86 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2bvu s ASP 87 N -0.94 6.38 0.08 6.41 1.01 -1.26 -4.92 116.67 123.42 2bvu s ASP 87 Ca 0.06 0.90 -0.26 0.00 0.71 0.00 0.00 52.55 53.95 2bvu s ASP 87 Cb 0.03 -2.23 0.09 0.00 1.01 0.00 0.00 42.92 41.82 2bvu s ASP 87 CO 0.04 -0.42 1.14 0.00 0.21 0.00 0.00 175.17 176.14 2bvu s ARG 88 N -4.21 0.84 -0.18 8.23 1.70 -1.26 -2.73 118.95 121.34 2bvu s ARG 88 Ca 0.47 -0.51 -0.04 0.00 -0.47 0.00 0.00 55.73 55.19 2bvu s ARG 88 Cb -0.10 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.59 2bvu s ARG 88 CO 0.37 -0.39 0.06 0.42 -1.08 0.00 0.00 175.30 174.68 2bvu s ILE 89 N -2.45 0.26 -0.20 4.99 1.01 0.20 -3.17 121.20 121.84 2bvu s ILE 89 Ca 0.19 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 2bvu s ILE 89 Cb 0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 2bvu s ILE 89 CO 0.01 -0.24 0.28 -0.89 0.00 0.00 0.00 174.94 174.09 2bvu s THR 90 N 1.98 5.30 -0.39 2.92 2.01 -0.34 -2.01 115.64 125.11 2bvu s THR 90 Ca 0.00 0.47 -0.07 0.00 0.31 0.00 0.00 61.69 62.41 2bvu s THR 90 Cb -0.17 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.80 2bvu s THR 90 CO -0.08 0.34 0.19 -0.63 -0.69 0.00 0.00 174.62 173.74 2bvu s ILE 91 N 0.87 3.82 -0.08 1.82 1.01 -0.71 -1.71 121.20 126.24 2bvu s ILE 91 Ca 0.14 -1.46 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 2bvu s ILE 91 Cb -0.13 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2bvu s ILE 91 CO 0.05 -0.42 0.26 -1.61 0.00 0.00 0.00 174.94 173.21 2bvu s GLU 92 N 1.35 3.70 0.29 2.79 2.02 -0.76 -1.66 118.70 126.43 2bvu s GLU 92 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.12 2bvu s GLU 92 Cb -0.22 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 2bvu s GLU 92 CO 0.01 0.70 0.37 -2.67 0.02 0.00 0.00 175.26 173.68 2bvu n TRP 93 N 2.05 -1.13 0.00 1.61 2.14 0.13 -0.88 117.44 121.35 2bvu n TRP 93 Ca -0.17 -2.06 0.00 0.00 2.07 0.00 0.00 57.50 57.34 2bvu n TRP 93 Cb 0.54 0.41 0.00 0.00 -0.81 0.00 0.00 31.31 31.45 2bvu n TRP 93 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 2bvu n THR 94 N -0.49 0.00 -2.70 -1.67 5.66 -0.99 -0.57 114.28 113.52 2bvu n THR 94 Ca 0.02 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.66 2bvu n THR 94 Cb 0.49 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 2bvu n THR 94 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2bvu s ASN 95 N 0.00 6.97 0.04 1.09 0.01 -1.26 -1.65 114.94 120.13 2bvu s ASN 95 Ca 0.00 1.87 -0.24 0.00 -0.71 0.00 0.00 52.86 53.78 2bvu s ASN 95 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 2bvu s ASN 95 CO 0.00 -0.34 0.73 0.42 -1.51 0.00 0.00 177.10 176.41 2bvu s THR 96 N -1.81 4.76 0.10 1.60 -4.23 -1.07 -4.78 115.64 110.21 2bvu s THR 96 Ca 0.57 1.55 -0.33 0.00 -1.18 0.00 0.00 61.69 62.31 2bvu s THR 96 Cb -0.17 -4.08 -0.18 0.00 1.34 0.00 0.00 72.50 69.42 2bvu s THR 96 CO 0.22 0.38 0.76 -2.65 -0.54 0.00 0.00 174.62 172.78 2bvu n PRO 97 N 2.77 0.00 -1.07 3.99 -0.02 -1.26 -4.58 135.00 134.83 2bvu n PRO 97 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 2bvu n PRO 97 Cb 0.50 -1.20 -0.11 0.00 -0.02 0.00 0.00 33.50 32.68 2bvu n PRO 97 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bvu n ASP 98 N 1.69 0.29 -2.75 2.55 -0.08 -1.26 -0.91 116.55 116.09 2bvu n ASP 98 Ca 0.18 0.22 -0.16 0.00 -1.51 0.00 0.00 54.79 53.52 2bvu n ASP 98 Cb 0.16 -0.68 0.06 0.00 2.34 0.00 0.00 41.12 43.00 2bvu n ASP 98 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bvu n GLY 99 N 5.00 -0.13 3.92 0.27 0.00 -1.26 -5.04 105.19 107.94 2bvu n GLY 99 Ca 0.47 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 2bvu n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvu s ALA 100 N -3.24 2.71 1.03 4.61 0.00 -0.09 -5.10 121.76 121.68 2bvu s ALA 100 Ca 0.30 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 2bvu s ALA 100 Cb -0.13 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.28 2bvu s ALA 100 CO 0.53 -1.76 0.48 0.00 0.00 0.00 0.00 175.76 175.01 2bvu n ALA 101 N -3.31 -0.85 -2.36 0.00 0.00 -1.26 -4.99 120.51 107.74 2bvu n ALA 101 Ca 0.10 -0.65 -0.36 0.00 0.00 0.00 0.00 53.44 52.53 2bvu n ALA 101 Cb 0.61 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 20.03 2bvu n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bvu n LYS 102 N -2.33 3.68 -4.06 0.00 4.81 -1.26 -4.92 118.16 114.08 2bvu n LYS 102 Ca 0.06 -4.20 -0.22 0.00 -0.87 0.00 0.00 58.31 53.08 2bvu n LYS 102 Cb 0.22 -2.32 -0.17 0.00 0.02 0.00 0.00 35.03 32.79 2bvu n LYS 102 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2bvu s GLN 103 N -3.97 0.92 0.25 1.64 0.74 -1.26 -4.88 119.66 113.11 2bvu s GLN 103 Ca 0.47 -0.09 -0.31 0.00 0.05 0.00 0.00 55.36 55.48 2bvu s GLN 103 Cb 0.34 -1.01 -0.12 0.00 1.10 0.00 0.00 33.01 33.33 2bvu s GLN 103 CO -0.26 -0.15 1.63 0.34 -0.55 0.00 0.00 175.29 176.30 2bvu n PHE 104 N 4.42 2.76 -4.18 1.67 7.35 -1.26 -4.99 117.46 123.23 2bvu n PHE 104 Ca -0.19 0.18 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 2bvu n PHE 104 Cb 0.51 -2.62 -0.17 0.00 0.35 0.00 0.00 39.48 37.55 2bvu n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bvu s ARG 105 N 0.17 1.60 0.48 -4.13 0.52 -1.26 -5.03 118.95 111.31 2bvu s ARG 105 Ca 0.69 -0.32 0.27 0.00 -0.52 0.00 0.00 55.73 55.85 2bvu s ARG 105 Cb -0.51 -1.52 1.50 0.00 0.52 0.00 0.00 34.95 34.93 2bvu s ARG 105 CO 0.42 -0.15 1.82 0.07 0.02 0.00 0.00 175.30 177.48 2bvu h ARG 106 N 7.68 0.00 -0.87 3.54 -0.00 -2.01 -2.84 114.38 119.87 2bvu h ARG 106 Ca -0.31 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.76 2bvu h ARG 106 Cb 1.15 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.05 2bvu h ARG 106 CO 0.44 0.00 0.52 0.93 -0.00 0.00 0.00 179.97 181.86 2bvu h GLU 107 N 0.00 0.87 -0.43 0.08 3.07 -2.00 -2.74 114.58 113.43 2bvu h GLU 107 Ca 0.00 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.93 2bvu h GLU 107 Cb 0.25 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2bvu h GLU 107 CO 0.00 0.57 0.44 -1.49 -1.40 0.00 0.00 179.01 177.14 2bvu h TRP 108 N 0.89 0.00 0.00 4.33 6.55 -1.92 -1.76 115.95 124.04 2bvu h TRP 108 Ca 0.41 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.20 2bvu h TRP 108 Cb 0.32 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 2bvu h TRP 108 CO -0.04 0.00 -1.15 1.19 -1.05 0.00 0.00 178.44 177.39 2bvu n PHE 109 N -3.77 0.96 0.94 0.49 3.01 -1.03 -3.81 117.46 114.25 2bvu n PHE 109 Ca 0.08 0.29 0.10 0.00 1.01 0.00 0.00 57.45 58.93 2bvu n PHE 109 Cb 0.63 -1.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.03 2bvu n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2bvu n GLN 110 N -2.74 0.79 -1.07 -1.08 6.02 -0.75 -4.96 117.38 113.60 2bvu n GLN 110 Ca -0.03 -0.38 -0.19 0.00 -0.01 0.00 0.00 57.00 56.39 2bvu n GLN 110 Cb 0.64 -1.44 0.14 0.00 1.02 0.00 0.00 30.24 30.60 2bvu n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bvu n GLY 111 N 1.43 -1.68 3.57 1.08 0.00 -0.74 -4.97 105.19 103.88 2bvu n GLY 111 Ca 0.06 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 2bvu n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bvu s ASP 112 N -3.90 6.06 0.00 1.61 1.11 -1.26 -4.86 116.67 115.43 2bvu s ASP 112 Ca 0.47 0.21 0.00 0.00 0.18 0.00 0.00 52.55 53.41 2bvu s ASP 112 Cb -0.02 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2bvu s ASP 112 CO 0.34 -1.78 0.00 0.61 1.18 0.00 0.00 175.17 175.52 2bvu n GLY 113 N 5.31 -0.68 2.86 0.21 0.00 -1.26 -5.13 105.19 106.50 2bvu n GLY 113 Ca 0.12 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2bvu n GLY 113 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bvu s MET 114 N -0.73 1.27 -0.17 1.61 1.75 -1.26 -5.11 119.30 116.66 2bvu s MET 114 Ca 0.00 -0.63 -0.14 0.00 -1.25 0.00 0.00 55.69 53.66 2bvu s MET 114 Cb 0.00 -2.21 -0.04 0.00 2.84 0.00 0.00 34.83 35.42 2bvu s MET 114 CO 0.00 -0.54 0.32 0.08 -0.65 0.00 0.00 175.02 174.23 2bvu s VAL 115 N 1.62 5.28 -0.11 10.11 1.01 -1.26 -4.41 120.40 132.64 2bvu s VAL 115 Ca -0.02 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 2bvu s VAL 115 Cb -0.17 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2bvu s VAL 115 CO -0.07 0.36 0.10 -0.60 0.00 0.00 0.00 175.10 174.89 2bvu s ARG 116 N 0.65 3.31 0.10 2.72 3.52 0.27 -4.93 118.95 124.58 2bvu s ARG 116 Ca 0.17 -0.21 0.10 0.00 -0.13 0.00 0.00 55.73 55.67 2bvu s ARG 116 Cb -0.13 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2bvu s ARG 116 CO 0.05 0.76 -0.26 -0.98 -0.81 0.00 0.00 175.30 174.06 2bvu s ARG 117 N -1.00 1.51 -0.04 5.12 1.04 -1.26 0.17 118.95 124.49 2bvu s ARG 117 Ca 0.15 -1.25 -0.01 0.00 -1.04 0.00 0.00 55.73 53.58 2bvu s ARG 117 Cb -0.12 -1.87 0.03 0.00 -2.04 0.00 0.00 34.95 30.95 2bvu s ARG 117 CO 0.04 0.46 0.03 0.21 -0.04 0.00 0.00 175.30 176.00 2bvu s LYS 118 N -1.75 0.13 0.21 3.89 2.20 -0.66 -4.99 119.74 118.76 2bvu s LYS 118 Ca 0.13 0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.90 2bvu s LYS 118 Cb -0.10 -0.53 -0.06 0.00 -1.51 0.00 0.00 37.83 35.63 2bvu s LYS 118 CO 0.04 -0.25 0.49 -0.80 -0.36 0.00 0.00 175.35 174.47 2bvu s ASN 119 N 1.68 6.54 -0.23 1.43 0.01 -1.26 -1.74 114.94 121.38 2bvu s ASN 119 Ca -0.01 0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 52.88 2bvu s ASN 119 Cb -0.13 -2.16 0.07 0.00 0.41 0.00 0.00 41.25 39.44 2bvu s ASN 119 CO -0.03 -0.05 0.05 -0.76 -1.51 0.00 0.00 177.10 174.80 2bvu s LEU 120 N -2.89 1.49 0.54 0.60 1.43 -0.85 -4.89 118.68 114.11 2bvu s LEU 120 Ca 0.44 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 2bvu s LEU 120 Cb -0.11 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2bvu s LEU 120 CO 0.24 -0.33 1.26 -2.84 0.23 0.00 0.00 176.35 174.91 2bvu s PRO 121 N 1.78 3.23 -0.09 1.29 0.02 -1.26 -0.63 135.00 139.34 2bvu s PRO 121 Ca 0.01 1.99 -0.20 0.00 0.02 0.00 0.00 61.00 62.82 2bvu s PRO 121 Cb -0.17 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 2bvu s PRO 121 CO -0.13 -1.05 0.58 0.42 -0.33 0.00 0.00 177.00 176.49 2bvu s ILE 122 N -1.45 5.11 -0.17 2.83 -1.09 -1.10 -0.99 121.20 124.33 2bvu s ILE 122 Ca 0.72 1.18 -0.02 0.00 -2.23 0.00 0.00 60.65 60.29 2bvu s ILE 122 Cb -0.34 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2bvu s ILE 122 CO 0.40 0.31 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.62 2bvu s GLU 123 N 0.61 3.36 -0.73 2.79 2.12 0.66 -4.70 118.70 122.79 2bvu s GLU 123 Ca 0.31 -0.67 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 2bvu s GLU 123 Cb -0.16 -2.80 0.16 0.00 0.26 0.00 0.00 34.13 31.59 2bvu s GLU 123 CO 0.14 -0.00 0.75 0.71 -0.54 0.00 0.00 175.26 176.32 2bvu s TYR 124 N 0.92 3.40 -0.79 5.30 2.02 -1.26 -0.14 117.35 126.80 2bvu s TYR 124 Ca -0.02 -1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 54.87 2bvu s TYR 124 Cb -0.15 -3.93 0.04 0.00 -0.40 0.00 0.00 41.96 37.52 2bvu s TYR 124 CO -0.00 -1.13 1.30 1.21 -1.57 0.00 0.00 175.55 175.36 2bvu s ASN 125 N 2.98 6.23 0.00 2.29 2.47 -0.75 -4.96 114.94 123.20 2bvu s ASN 125 Ca 0.16 -0.66 0.25 0.00 0.42 0.00 0.00 52.86 53.02 2bvu s ASN 125 Cb -0.16 -2.56 1.49 0.00 -1.45 0.00 0.00 41.25 38.57 2bvu s ASN 125 CO -0.03 -1.76 1.85 0.18 -3.72 0.00 0.00 177.10 173.61