#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 4.10 0.46 7.34 0.02 -1.26 -4.89 135.00 140.77 2bvu s PRO 5 Ca 0.00 2.50 -0.24 0.00 0.02 0.00 0.00 61.00 63.29 2bvu s PRO 5 Cb 0.00 -2.95 -0.07 0.00 0.02 0.00 0.00 34.50 31.50 2bvu s PRO 5 CO 0.00 -0.51 1.23 -1.25 -0.33 0.00 0.00 177.00 176.14 2bvu s PRO 6 N -2.09 3.73 0.62 5.54 0.04 -1.26 -5.02 135.00 136.55 2bvu s PRO 6 Ca 0.53 1.95 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 2bvu s PRO 6 Cb -0.45 -2.49 0.14 0.00 0.04 0.00 0.00 34.50 31.74 2bvu s PRO 6 CO 0.61 -0.63 0.76 0.41 0.04 0.00 0.00 177.00 178.19 2bvu n GLY 7 N 0.57 -1.67 3.79 0.56 0.00 -1.26 -5.02 105.19 102.17 2bvu n GLY 7 Ca 0.07 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2bvu n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bvu s ASP 8 N -3.73 5.07 0.46 1.61 1.11 -1.26 -4.79 116.67 115.13 2bvu s ASP 8 Ca 0.44 1.78 0.08 0.00 0.18 0.00 0.00 52.55 55.03 2bvu s ASP 8 Cb -0.02 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.47 2bvu s ASP 8 CO 0.32 -1.66 0.50 0.27 1.18 0.00 0.00 175.17 175.78 2bvu s ILE 9 N -2.80 2.52 -0.05 0.77 -4.36 -1.26 -1.70 121.20 114.32 2bvu s ILE 9 Ca 0.61 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 2bvu s ILE 9 Cb -0.16 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.83 2bvu s ILE 9 CO 0.51 0.00 -0.08 0.20 0.24 0.00 0.00 174.94 175.81 2bvu s ASN 10 N -4.30 1.28 0.15 4.36 0.01 0.10 -4.76 114.94 111.78 2bvu s ASN 10 Ca 0.50 -0.20 0.10 0.00 -0.71 0.00 0.00 52.86 52.55 2bvu s ASN 10 Cb -0.05 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 2bvu s ASN 10 CO 0.30 -0.00 -0.21 0.42 -1.51 0.00 0.00 177.10 176.10 2bvu s THR 11 N 0.69 2.59 -0.16 1.60 -4.23 -1.26 -0.34 115.64 114.53 2bvu s THR 11 Ca -0.11 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2bvu s THR 11 Cb -0.14 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.55 2bvu s THR 11 CO 0.02 0.02 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.00 2bvu s GLN 12 N -2.32 1.06 0.80 3.99 -0.21 0.15 -3.14 119.66 119.99 2bvu s GLN 12 Ca 0.18 -0.39 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 2bvu s GLN 12 Cb -0.10 -1.86 0.07 0.00 1.00 0.00 0.00 33.01 32.13 2bvu s GLN 12 CO 0.09 -0.47 1.10 -2.14 -2.12 0.00 0.00 175.29 171.75 2bvu s PRO 13 N 1.76 2.01 -0.10 2.91 0.02 -1.26 -1.17 135.00 139.18 2bvu s PRO 13 Ca 0.01 1.19 -0.21 0.00 0.02 0.00 0.00 61.00 62.01 2bvu s PRO 13 Cb -0.15 -1.87 -0.28 0.00 0.02 0.00 0.00 34.50 32.22 2bvu s PRO 13 CO -0.07 -1.82 0.69 0.66 -0.33 0.00 0.00 177.00 176.13 2bvu h SER 14 N -1.26 0.33 0.00 2.53 4.64 -1.96 -3.42 113.55 114.41 2bvu h SER 14 Ca -0.44 -0.88 -0.08 0.00 -0.47 0.00 0.00 61.79 59.92 2bvu h SER 14 Cb 1.24 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2bvu h SER 14 CO 0.50 1.43 -1.42 0.00 -0.87 0.00 0.00 176.83 176.48 2bvu n GLN 15 N -4.14 1.93 -3.80 4.77 6.02 -1.26 -4.86 117.38 116.04 2bvu n GLN 15 Ca -0.19 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.72 2bvu n GLN 15 Cb 0.79 -1.17 -0.01 0.00 1.02 0.00 0.00 30.24 30.87 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 -2.29 1.44 -0.11 -1.09 -2.85 -1.26 -4.19 119.74 109.39 2bvu s LYS 16 Ca -0.03 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2bvu s LYS 16 Cb 0.03 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.30 2bvu s LYS 16 CO 0.29 -0.66 -0.11 -1.50 0.10 0.00 0.00 175.35 173.46 2bvu s ILE 17 N -3.42 1.25 -0.28 3.79 1.10 -0.55 -4.70 121.20 118.40 2bvu s ILE 17 Ca 0.12 -0.46 -0.08 0.00 -0.51 0.00 0.00 60.65 59.72 2bvu s ILE 17 Cb -0.03 -1.20 -0.02 0.00 0.15 0.00 0.00 42.46 41.36 2bvu s ILE 17 CO 0.04 0.40 0.11 -0.69 -2.11 0.00 0.00 174.94 172.69 2bvu s VAL 18 N 1.39 4.47 -0.13 4.00 1.01 -1.26 -0.70 120.40 129.18 2bvu s VAL 18 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 2bvu s VAL 18 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2bvu s VAL 18 CO -0.06 0.21 0.36 -0.36 0.00 0.00 0.00 175.10 175.25 2bvu s PHE 19 N 1.62 3.50 -0.17 5.22 2.99 0.70 -4.93 117.98 126.91 2bvu s PHE 19 Ca 0.05 0.72 -0.15 0.00 0.00 0.00 0.00 56.93 57.56 2bvu s PHE 19 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 43.02 40.42 2bvu s PHE 19 CO 0.05 0.25 0.33 -0.80 -0.00 0.00 0.00 175.22 175.05 2bvu s ASN 20 N 0.38 6.45 0.94 1.36 0.01 -1.26 -0.42 114.94 122.40 2bvu s ASN 20 Ca 0.20 0.53 -0.12 0.00 -0.71 0.00 0.00 52.86 52.76 2bvu s ASN 20 Cb -0.14 -2.20 0.08 0.00 0.41 0.00 0.00 41.25 39.40 2bvu s ASN 20 CO 0.07 0.05 0.68 0.00 -1.51 0.00 0.00 177.10 176.39 2bvu n ALA 21 N 3.79 -1.94 -1.86 0.60 0.00 0.27 -4.71 120.51 116.66 2bvu n ALA 21 Ca -0.11 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 2bvu n ALA 21 Cb 0.52 -1.95 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 2bvu n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bvu s PRO 22 N -4.00 4.24 -0.66 0.00 0.04 -1.26 -5.00 135.00 128.36 2bvu s PRO 22 Ca 0.61 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2bvu s PRO 22 Cb -0.22 -2.30 0.43 0.00 0.04 0.00 0.00 34.50 32.45 2bvu s PRO 22 CO 0.64 0.04 1.94 0.66 0.04 0.00 0.00 177.00 180.32 2bvu n TYR 23 N -0.43 3.15 0.13 0.56 4.01 -1.26 -4.60 117.16 118.72 2bvu n TYR 23 Ca 0.06 -2.84 0.01 0.00 -0.16 0.00 0.00 57.90 54.97 2bvu n TYR 23 Cb 0.53 -1.28 0.01 0.00 -0.31 0.00 0.00 39.34 38.29 2bvu n TYR 23 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2bvu h ASP 24 N 2.20 0.00 -4.49 7.72 3.45 -1.94 -3.24 116.42 120.11 2bvu h ASP 24 Ca 0.57 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.68 2bvu h ASP 24 Cb 0.75 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.29 2bvu h ASP 24 CO 1.48 0.56 -0.76 -1.81 -1.57 0.00 0.00 179.24 177.13 2bvu s ASP 25 N -6.49 1.26 0.26 6.45 1.01 -1.26 -4.77 116.67 113.13 2bvu s ASP 25 Ca 0.04 -0.50 -0.31 0.00 0.71 0.00 0.00 52.55 52.49 2bvu s ASP 25 Cb 0.08 -0.03 -0.13 0.00 1.01 0.00 0.00 42.92 43.85 2bvu s ASP 25 CO 0.75 -0.08 1.44 2.29 0.21 0.00 0.00 175.17 179.78 2bvu n LYS 26 N 1.66 2.19 -4.37 8.23 2.85 -1.26 -4.51 118.16 122.94 2bvu n LYS 26 Ca -0.20 0.78 -0.25 0.00 -1.05 0.00 0.00 58.31 57.58 2bvu n LYS 26 Cb 0.55 -2.46 -0.12 0.00 -0.65 0.00 0.00 35.03 32.35 2bvu n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2bvu s HIS 27 N -0.11 2.07 -0.13 5.58 3.76 -0.11 -4.97 115.29 121.38 2bvu s HIS 27 Ca 0.66 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2bvu s HIS 27 Cb -0.61 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.04 2bvu s HIS 27 CO 0.50 0.37 -0.11 0.99 -0.85 0.00 0.00 174.74 175.65 2bvu s THR 28 N -1.59 1.30 0.14 1.30 2.01 -1.26 -0.62 115.64 116.92 2bvu s THR 28 Ca 0.16 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.73 2bvu s THR 28 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2bvu s THR 28 CO 0.07 0.39 0.07 -0.31 -0.69 0.00 0.00 174.62 174.16 2bvu s TYR 29 N 1.60 3.07 0.36 4.92 1.51 0.28 -4.95 117.35 124.12 2bvu s TYR 29 Ca 0.05 -0.03 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 2bvu s TYR 29 Cb -0.13 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2bvu s TYR 29 CO -0.09 0.51 0.25 -1.01 -1.11 0.00 0.00 175.55 174.10 2bvu s HIS 30 N -1.60 2.79 -0.13 2.71 3.76 -1.25 0.77 115.29 122.33 2bvu s HIS 30 Ca 0.29 -0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 54.78 2bvu s HIS 30 Cb -0.11 -1.82 0.06 0.00 1.11 0.00 0.00 32.58 31.83 2bvu s HIS 30 CO 0.21 0.18 0.26 0.42 -0.85 0.00 0.00 174.74 174.96 2bvu s ILE 31 N -2.39 -0.39 -0.19 0.60 1.01 -0.30 -4.66 121.20 114.88 2bvu s ILE 31 Ca 0.41 0.28 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 2bvu s ILE 31 Cb -0.04 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 2bvu s ILE 31 CO 0.25 0.12 0.70 -0.75 0.00 0.00 0.00 174.94 175.26 2bvu s LYS 32 N 2.36 4.24 -0.12 2.79 2.20 -0.31 -1.21 119.74 129.69 2bvu s LYS 32 Ca 0.01 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 2bvu s LYS 32 Cb -0.12 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2bvu s LYS 32 CO -0.08 -0.27 -0.04 0.42 -0.36 0.00 0.00 175.35 175.02 2bvu s ILE 33 N 2.00 3.93 -0.04 5.43 1.01 -0.43 -0.67 121.20 132.43 2bvu s ILE 33 Ca 0.32 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2bvu s ILE 33 Cb -0.16 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2bvu s ILE 33 CO 0.11 0.54 -0.09 -0.89 0.00 0.00 0.00 174.94 174.61 2bvu s THR 34 N -0.17 0.85 -0.40 2.92 2.01 0.54 -1.19 115.64 120.20 2bvu s THR 34 Ca 0.03 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 2bvu s THR 34 Cb -0.13 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2bvu s THR 34 CO 0.02 0.28 1.51 0.21 -0.69 0.00 0.00 174.62 175.95 2bvu s ASN 35 N 0.42 6.21 -0.16 3.53 3.84 -0.71 -0.72 114.94 127.34 2bvu s ASN 35 Ca -0.07 0.91 0.16 0.00 0.21 0.00 0.00 52.86 54.07 2bvu s ASN 35 Cb -0.11 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.80 2bvu s ASN 35 CO 0.01 -1.52 1.66 0.00 -2.79 0.00 0.00 177.10 174.46 2bvu n ALA 36 N 9.25 3.42 -2.21 1.71 0.00 -0.69 -1.07 120.51 130.92 2bvu n ALA 36 Ca 0.18 -1.68 -0.23 0.00 0.00 0.00 0.00 53.44 51.72 2bvu n ALA 36 Cb 0.48 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.88 2bvu n ALA 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bvu s GLY 37 N -0.82 2.06 -0.01 0.00 0.00 -1.20 -4.55 107.32 102.79 2bvu s GLY 37 Ca 0.51 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 43.28 2bvu s GLY 37 CO 0.20 -1.79 1.13 -1.33 0.00 0.00 0.00 173.10 171.31 2bvu h GLY 38 N 0.53 -0.30 -1.58 0.20 0.00 -1.94 -3.40 103.07 96.57 2bvu h GLY 38 Ca -0.34 0.11 -0.45 0.00 0.00 0.00 0.00 47.33 46.65 2bvu h GLY 38 CO 0.50 -0.11 0.06 0.50 0.00 0.00 0.00 176.54 177.49 2bvu s ARG 39 N -4.22 2.35 0.68 4.80 0.52 -1.26 -4.58 118.95 117.24 2bvu s ARG 39 Ca -0.14 -0.66 -0.13 0.00 -0.52 0.00 0.00 55.73 54.28 2bvu s ARG 39 Cb 0.02 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.12 2bvu s ARG 39 CO 0.54 -0.95 1.09 0.50 0.02 0.00 0.00 175.30 176.50 2bvu s ARG 40 N -4.95 2.75 0.03 3.54 3.52 -1.26 -4.27 118.95 118.32 2bvu s ARG 40 Ca 0.59 1.24 -0.01 0.00 -0.13 0.00 0.00 55.73 57.43 2bvu s ARG 40 Cb -0.10 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.31 2bvu s ARG 40 CO 0.41 -1.27 -0.03 0.96 -0.81 0.00 0.00 175.30 174.57 2bvu s ILE 41 N -2.60 0.16 -0.00 4.11 -4.36 -0.78 -2.76 121.20 114.96 2bvu s ILE 41 Ca 0.64 -1.32 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 2bvu s ILE 41 Cb -0.18 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.66 2bvu s ILE 41 CO 0.46 -0.73 -0.06 -0.83 0.24 0.00 0.00 174.94 174.03 2bvu s GLY 42 N -2.12 1.77 0.01 6.27 0.00 0.07 -1.11 107.32 112.21 2bvu s GLY 42 Ca -0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 2bvu s GLY 42 CO -0.05 -0.85 0.08 0.66 0.00 0.00 0.00 173.10 172.94 2bvu s TRP 43 N -1.00 0.13 0.10 1.90 1.48 0.05 -0.14 118.94 121.46 2bvu s TRP 43 Ca 0.17 -0.30 -0.02 0.00 -1.06 0.00 0.00 56.10 54.90 2bvu s TRP 43 Cb -0.11 -0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.06 2bvu s TRP 43 CO 0.07 -0.27 0.04 0.00 -4.06 0.00 0.00 176.95 172.73 2bvu s ALA 44 N -1.58 0.67 -0.05 2.67 0.00 0.58 -0.92 121.76 123.14 2bvu s ALA 44 Ca -0.14 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.52 2bvu s ALA 44 Cb -0.07 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2bvu s ALA 44 CO 0.00 -0.45 -0.14 0.42 0.00 0.00 0.00 175.76 175.58 2bvu s ILE 45 N -3.99 1.25 -0.02 0.00 -1.09 0.15 0.45 121.20 117.94 2bvu s ILE 45 Ca 0.17 -0.60 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 2bvu s ILE 45 Cb 0.07 -1.09 -0.02 0.00 -1.58 0.00 0.00 42.46 39.84 2bvu s ILE 45 CO -0.03 0.37 -0.26 -0.54 -1.23 0.00 0.00 174.94 173.25 2bvu s LYS 46 N 0.23 2.12 -0.01 2.79 1.02 0.11 -4.92 119.74 121.07 2bvu s LYS 46 Ca -0.07 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.06 2bvu s LYS 46 Cb -0.12 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 2bvu s LYS 46 CO 0.02 0.56 -0.19 0.95 -0.92 0.00 0.00 175.35 175.77 2bvu s THR 47 N -0.62 2.67 -0.60 2.17 -4.23 -1.26 0.72 115.64 114.50 2bvu s THR 47 Ca 0.10 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2bvu s THR 47 Cb -0.10 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.75 2bvu s THR 47 CO -0.01 0.50 0.76 0.35 -0.54 0.00 0.00 174.62 175.69 2bvu n THR 48 N 2.10 0.55 -2.72 3.99 -2.24 -0.60 -4.46 114.28 110.89 2bvu n THR 48 Ca -0.17 -0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.46 2bvu n THR 48 Cb 0.52 -0.67 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 2bvu n THR 48 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bvu n ASN 49 N 0.18 -2.51 0.24 3.42 2.85 -1.26 -4.85 115.26 113.33 2bvu n ASN 49 Ca 0.03 -2.57 0.13 0.00 -0.11 0.00 0.00 54.58 52.06 2bvu n ASN 49 Cb 0.41 1.43 0.51 0.00 1.24 0.00 0.00 39.78 43.37 2bvu n ASN 49 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 2bvu h MET 50 N 4.10 0.00 0.00 1.20 2.86 -1.78 0.37 114.93 121.68 2bvu h MET 50 Ca -0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2bvu h MET 50 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2bvu h MET 50 CO 0.08 0.10 -0.30 0.07 1.06 0.00 0.00 176.91 177.92 2bvu h ARG 51 N 0.00 0.00 0.00 1.72 0.11 -1.97 -3.36 114.38 110.88 2bvu h ARG 51 Ca -0.00 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.77 2bvu h ARG 51 Cb 0.70 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.73 2bvu h ARG 51 CO 0.01 0.30 -2.13 -2.13 0.10 0.00 0.00 179.97 176.13 2bvu n ARG 52 N -3.43 0.48 -4.12 0.08 0.63 -0.34 -4.83 116.66 105.13 2bvu n ARG 52 Ca 0.00 0.13 -0.29 0.00 -0.92 0.00 0.00 57.85 56.78 2bvu n ARG 52 Cb 0.49 -1.35 -0.07 0.00 0.45 0.00 0.00 32.46 31.97 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 -6.39 3.54 0.07 6.15 1.43 0.12 -0.33 118.68 123.26 2bvu s LEU 53 Ca -0.27 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2bvu s LEU 53 Cb 0.08 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 2bvu s LEU 53 CO 0.43 0.14 0.18 -0.94 0.23 0.00 0.00 176.35 176.39 2bvu s SER 54 N -2.56 0.10 -0.03 2.29 1.04 -0.32 -4.22 113.70 110.01 2bvu s SER 54 Ca 0.27 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.19 2bvu s SER 54 Cb -0.11 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 2bvu s SER 54 CO 0.20 -0.65 -0.13 -0.69 0.98 0.00 0.00 173.24 172.95 2bvu s VAL 55 N -3.33 1.08 -0.20 5.02 1.01 -1.26 -0.35 120.40 122.37 2bvu s VAL 55 Ca 0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2bvu s VAL 55 Cb 0.03 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.56 2bvu s VAL 55 CO -0.08 0.32 0.43 -0.62 0.00 0.00 0.00 175.10 175.15 2bvu s ASP 56 N 0.02 -0.32 0.40 3.32 -1.08 -0.63 -4.33 116.67 114.05 2bvu s ASP 56 Ca -0.01 1.01 -0.08 0.00 -0.52 0.00 0.00 52.55 52.95 2bvu s ASP 56 Cb -0.09 1.34 -0.05 0.00 -1.46 0.00 0.00 42.92 42.66 2bvu s ASP 56 CO 0.01 -0.23 0.72 -2.16 0.52 0.00 0.00 175.17 174.03 2bvu s PRO 57 N 2.51 3.67 0.39 4.34 0.04 -1.26 -0.03 135.00 144.66 2bvu s PRO 57 Ca -0.03 0.27 0.21 0.00 0.04 0.00 0.00 61.00 61.50 2bvu s PRO 57 Cb -0.12 -2.45 0.54 0.00 0.04 0.00 0.00 34.50 32.52 2bvu s PRO 57 CO -0.13 -0.03 1.66 -1.00 0.04 0.00 0.00 177.00 177.54 2bvu h PRO 58 N 1.03 0.00 -2.34 0.56 0.13 -1.92 -3.46 132.00 126.01 2bvu h PRO 58 Ca -0.47 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.85 2bvu h PRO 58 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2bvu h PRO 58 CO 0.64 0.28 0.60 0.00 -0.23 0.00 0.00 178.00 179.28 2bvu n GLY 60 N -0.62 -0.86 3.12 0.00 0.00 -0.10 -4.94 105.19 101.80 2bvu n GLY 60 Ca -0.04 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.00 0.85 -0.15 1.61 1.01 -1.26 -0.77 120.40 118.68 2bvu s VAL 61 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2bvu s VAL 61 Cb 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.60 2bvu s VAL 61 CO 0.00 -0.29 0.18 -0.76 0.00 0.00 0.00 175.10 174.23 2bvu s LEU 62 N -1.63 -0.04 0.70 3.92 1.02 -0.26 -5.00 118.68 117.38 2bvu s LEU 62 Ca -0.05 -0.03 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 2bvu s LEU 62 Cb -0.10 0.26 0.02 0.00 0.02 0.00 0.00 46.19 46.39 2bvu s LEU 62 CO 0.01 -0.29 1.10 -1.81 0.02 0.00 0.00 176.35 175.38 2bvu s ASP 63 N 2.29 4.89 0.37 2.29 1.01 -1.26 -1.87 116.67 124.40 2bvu s ASP 63 Ca 0.04 1.93 -0.25 0.00 0.71 0.00 0.00 52.55 54.99 2bvu s ASP 63 Cb -0.14 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.13 2bvu s ASP 63 CO -0.09 -1.77 0.87 -2.65 0.21 0.00 0.00 175.17 171.74 2bvu n PRO 64 N -2.82 1.10 -0.85 8.23 -0.02 -1.26 -0.40 135.00 138.98 2bvu n PRO 64 Ca 0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2bvu n PRO 64 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2bvu n PRO 64 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2bvu n LYS 65 N 0.45 -1.89 -2.94 -0.52 -0.00 -0.23 -4.99 118.16 108.04 2bvu n LYS 65 Ca 0.10 0.41 -0.28 0.00 -0.00 0.00 0.00 58.31 58.55 2bvu n LYS 65 Cb 0.37 -4.65 -0.02 0.00 -0.00 0.00 0.00 35.03 30.73 2bvu n LYS 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2bvu s GLU 66 N -1.70 3.62 0.04 -1.58 2.12 0.47 -4.84 118.70 116.83 2bvu s GLU 66 Ca 0.00 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.52 2bvu s GLU 66 Cb 0.00 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 2bvu s GLU 66 CO 0.00 -0.02 -0.08 0.15 -0.54 0.00 0.00 175.26 174.77 2bvu s LYS 67 N -4.17 0.54 0.02 4.30 1.02 -1.26 -1.74 119.74 118.45 2bvu s LYS 67 Ca 0.47 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.75 2bvu s LYS 67 Cb -0.10 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.86 2bvu s LYS 67 CO 0.37 0.06 -0.07 0.54 -0.92 0.00 0.00 175.35 175.33 2bvu s VAL 68 N -1.28 0.49 -0.27 3.17 0.11 -0.34 -4.98 120.40 117.31 2bvu s VAL 68 Ca -0.09 -0.70 -0.09 0.00 -2.93 0.00 0.00 61.98 58.17 2bvu s VAL 68 Cb -0.09 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2bvu s VAL 68 CO 0.00 -0.16 0.13 -0.22 -3.33 0.00 0.00 175.10 171.53 2bvu s LEU 69 N -0.93 3.80 0.04 2.54 2.96 -1.26 -1.31 118.68 124.52 2bvu s LEU 69 Ca -0.05 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2bvu s LEU 69 Cb -0.06 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2bvu s LEU 69 CO 0.00 -0.07 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.52 2bvu s MET 70 N 1.67 2.25 -0.54 1.98 -2.45 -0.35 -4.77 119.30 117.10 2bvu s MET 70 Ca 0.06 -0.90 -0.12 0.00 -1.25 0.00 0.00 55.69 53.48 2bvu s MET 70 Cb -0.16 -2.33 0.14 0.00 1.25 0.00 0.00 34.83 33.73 2bvu s MET 70 CO 0.07 0.55 0.45 0.00 1.05 0.00 0.00 175.02 177.14 2bvu s ALA 71 N -1.02 3.57 -0.23 4.11 0.00 0.96 -1.15 121.76 127.99 2bvu s ALA 71 Ca 0.17 -2.66 -0.24 0.00 0.00 0.00 0.00 51.96 49.24 2bvu s ALA 71 Cb -0.11 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2bvu s ALA 71 CO 0.08 -2.00 0.80 0.08 0.00 0.00 0.00 175.76 174.72 2bvu s VAL 72 N 1.25 4.87 0.25 0.00 1.01 0.23 -1.61 120.40 126.40 2bvu s VAL 72 Ca 0.07 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.66 2bvu s VAL 72 Cb -0.26 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2bvu s VAL 72 CO -0.00 -0.04 -0.10 -0.94 0.00 0.00 0.00 175.10 174.01 2bvu s SER 73 N 1.33 4.09 -0.14 3.32 1.04 0.52 0.99 113.70 124.86 2bvu s SER 73 Ca 0.34 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 2bvu s SER 73 Cb -0.15 -0.60 0.05 0.00 0.10 0.00 0.00 66.02 65.42 2bvu s SER 73 CO 0.08 0.04 0.03 0.00 0.98 0.00 0.00 173.24 174.37 2bvu s ASP 75 N 1.97 3.77 -0.20 0.00 1.11 0.55 -0.93 116.67 122.93 2bvu s ASP 75 Ca 0.02 0.76 -0.29 0.00 0.18 0.00 0.00 52.55 53.22 2bvu s ASP 75 Cb -0.15 -1.20 -0.06 0.00 1.07 0.00 0.00 42.92 42.58 2bvu s ASP 75 CO -0.07 -2.37 2.20 0.41 1.18 0.00 0.00 175.17 176.52 2bvu n THR 76 N -3.61 0.38 -4.73 -1.27 -1.04 -1.26 -4.76 114.28 97.97 2bvu n THR 76 Ca 0.09 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 61.36 2bvu n THR 76 Cb 0.60 -2.49 -0.08 0.00 -1.82 0.00 0.00 70.33 66.55 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 7.89 1.90 -0.38 -1.42 -0.71 -1.22 -5.05 117.98 118.99 2bvu s PHE 77 Ca 1.00 -0.96 -0.14 0.00 -1.04 0.00 0.00 56.93 55.79 2bvu s PHE 77 Cb -0.38 -1.59 0.00 0.00 -1.21 0.00 0.00 43.02 39.85 2bvu s PHE 77 CO 0.37 0.20 0.29 -0.80 -1.34 0.00 0.00 175.22 173.94 2bvu s ASN 78 N -3.84 6.10 0.14 1.98 -0.87 -1.26 -4.73 114.94 112.46 2bvu s ASN 78 Ca 0.09 -0.63 0.25 0.00 -1.57 0.00 0.00 52.86 51.00 2bvu s ASN 78 Cb 0.02 -2.16 0.93 0.00 -0.02 0.00 0.00 41.25 40.02 2bvu s ASN 78 CO 0.05 -0.36 1.76 0.00 -2.57 0.00 0.00 177.10 175.98 2bvu n ALA 79 N 5.19 2.07 0.03 0.60 0.00 -1.26 -1.43 120.51 125.71 2bvu n ALA 79 Ca -0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2bvu n ALA 79 Cb 0.48 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2bvu n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bvu h ALA 80 N 2.57 0.45 0.10 0.00 0.00 -1.99 -3.38 119.26 117.02 2bvu h ALA 80 Ca 0.00 -1.19 -0.37 0.00 0.00 0.00 0.00 54.91 53.35 2bvu h ALA 80 Cb 0.53 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2bvu h ALA 80 CO 0.00 1.31 -2.08 2.41 0.00 0.00 0.00 179.25 180.89 2bvu n THR 81 N -3.31 1.73 -2.56 0.00 -1.04 -1.20 -5.04 114.28 102.87 2bvu n THR 81 Ca -0.14 -0.64 -0.22 0.00 -2.04 0.00 0.00 64.05 61.01 2bvu n THR 81 Cb 1.02 -1.67 0.04 0.00 -1.82 0.00 0.00 70.33 67.90 2bvu n THR 81 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2bvu s GLU 82 N -2.55 2.48 0.51 -2.82 2.02 -0.51 -5.05 118.70 112.76 2bvu s GLU 82 Ca -0.24 -0.69 -0.21 0.00 0.02 0.00 0.00 54.97 53.84 2bvu s GLU 82 Cb 0.07 -2.43 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 2bvu s GLU 82 CO 0.74 -0.81 1.19 0.50 0.02 0.00 0.00 175.26 176.90 2bvu s ARG 83 N -4.85 3.49 0.00 1.61 6.06 -1.26 -4.86 118.95 119.14 2bvu s ARG 83 Ca 0.58 1.81 0.00 0.00 -2.50 0.00 0.00 55.73 55.62 2bvu s ARG 83 Cb -0.10 -2.24 0.00 0.00 0.06 0.00 0.00 34.95 32.66 2bvu s ARG 83 CO 0.40 -0.78 0.64 1.28 -2.50 0.00 0.00 175.30 174.33 2bvu n LEU 84 N -0.87 0.77 -0.06 -0.88 4.77 -1.26 -4.95 117.00 114.52 2bvu n LEU 84 Ca 0.09 -0.77 -0.07 0.00 -0.03 0.00 0.00 56.01 55.23 2bvu n LEU 84 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2bvu n LEU 84 CO 0.47 0.19 -0.92 -3.20 -1.33 0.00 0.00 177.39 172.60 2bvu n ASN 85 N -0.18 2.07 -2.69 -1.43 5.15 -1.26 -4.65 115.26 112.27 2bvu n ASN 85 Ca 0.00 -0.01 -0.05 0.00 -0.60 0.00 0.00 54.58 53.91 2bvu n ASN 85 Cb 0.36 0.66 0.04 0.00 -0.53 0.00 0.00 39.78 40.31 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 -2.53 2.15 -4.80 1.20 3.02 -1.26 -5.05 115.26 107.99 2bvu n ASN 86 Ca -0.21 -2.41 -0.38 0.00 -0.03 0.00 0.00 54.58 51.55 2bvu n ASN 86 Cb 0.89 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 2bvu n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2bvu s ASP 87 N -3.69 6.94 -0.03 6.41 1.01 -1.26 -4.91 116.67 121.13 2bvu s ASP 87 Ca 0.31 1.11 -0.24 0.00 0.71 0.00 0.00 52.55 54.44 2bvu s ASP 87 Cb 0.35 -2.32 0.05 0.00 1.01 0.00 0.00 42.92 42.01 2bvu s ASP 87 CO -0.02 0.24 0.53 0.00 0.21 0.00 0.00 175.17 176.13 2bvu s ARG 88 N -0.82 0.91 -0.03 8.23 1.70 -1.26 -1.81 118.95 125.87 2bvu s ARG 88 Ca 0.27 0.07 -0.08 0.00 -0.47 0.00 0.00 55.73 55.52 2bvu s ARG 88 Cb -0.18 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2bvu s ARG 88 CO 0.16 -0.28 0.26 0.42 -1.08 0.00 0.00 175.30 174.79 2bvu s ILE 89 N -1.29 5.30 -0.05 4.99 1.01 0.20 -1.56 121.20 129.81 2bvu s ILE 89 Ca -0.12 0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2bvu s ILE 89 Cb -0.02 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.91 2bvu s ILE 89 CO 0.07 0.47 -0.09 -0.89 0.00 0.00 0.00 174.94 174.50 2bvu s THR 90 N -1.19 0.86 -0.19 2.92 2.01 0.22 -0.19 115.64 120.08 2bvu s THR 90 Ca 0.24 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2bvu s THR 90 Cb -0.14 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2bvu s THR 90 CO 0.12 0.29 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 2bvu s ILE 91 N 0.59 3.42 -0.15 1.82 1.01 0.11 0.05 121.20 128.06 2bvu s ILE 91 Ca -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2bvu s ILE 91 Cb -0.13 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 2bvu s ILE 91 CO 0.02 0.45 -0.03 -1.61 0.00 0.00 0.00 174.94 173.77 2bvu s GLU 92 N 1.09 3.66 0.06 2.79 8.01 0.17 -0.55 118.70 133.93 2bvu s GLU 92 Ca 0.01 -0.51 -0.10 0.00 0.01 0.00 0.00 54.97 54.39 2bvu s GLU 92 Cb -0.15 -2.92 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 2bvu s GLU 92 CO -0.00 0.26 0.20 1.67 0.01 0.00 0.00 175.26 177.40 2bvu s TRP 93 N 0.30 0.08 0.24 1.61 -2.14 -0.21 0.21 118.94 119.03 2bvu s TRP 93 Ca -0.03 -0.37 -0.17 0.00 2.66 0.00 0.00 56.10 58.19 2bvu s TRP 93 Cb -0.14 -0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.22 2bvu s TRP 93 CO 0.03 -0.48 0.55 -0.08 -2.66 0.00 0.00 176.95 174.31 2bvu s THR 94 N -3.06 0.01 0.00 0.66 -1.32 0.80 -0.79 115.64 111.94 2bvu s THR 94 Ca -0.01 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.08 2bvu s THR 94 Cb 0.01 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 69.03 2bvu s THR 94 CO -0.07 -0.05 1.29 0.20 -2.21 0.00 0.00 174.62 173.79 2bvu s ASN 95 N -2.94 6.96 0.64 8.08 0.01 -1.26 -0.75 114.94 125.67 2bvu s ASN 95 Ca 0.15 2.01 -0.18 0.00 -0.71 0.00 0.00 52.86 54.12 2bvu s ASN 95 Cb -0.02 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2bvu s ASN 95 CO 0.04 -0.62 1.20 0.35 -1.51 0.00 0.00 177.10 176.56 2bvu n THR 96 N 4.46 4.63 -2.53 1.60 -2.24 -1.11 -4.82 114.28 114.26 2bvu n THR 96 Ca 0.11 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 2bvu n THR 96 Cb 0.45 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.25 2bvu n THR 96 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bvu s PRO 97 N -3.21 3.83 0.21 -0.78 0.04 -1.26 -4.93 135.00 128.90 2bvu s PRO 97 Ca 0.81 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2bvu s PRO 97 Cb -0.39 -2.10 -0.16 0.00 0.04 0.00 0.00 34.50 31.89 2bvu s PRO 97 CO 0.42 -0.40 0.78 -0.25 0.04 0.00 0.00 177.00 177.59 2bvu n ASP 98 N -1.05 -0.11 0.00 6.66 8.00 -1.26 -1.63 116.55 127.16 2bvu n ASP 98 Ca 0.09 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2bvu n ASP 98 Cb 0.53 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2bvu n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bvu n GLY 99 N 1.73 0.12 3.78 0.44 0.00 -1.26 -4.95 105.19 105.05 2bvu n GLY 99 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.31 2.72 1.14 4.61 0.00 -0.65 -5.03 121.76 123.24 2bvu s ALA 100 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2bvu s ALA 100 Cb 0.00 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 19.94 2bvu s ALA 100 CO 0.00 -0.72 0.59 0.00 0.00 0.00 0.00 175.76 175.63 2bvu n ALA 101 N -1.26 -1.89 -3.60 0.00 0.00 -1.26 -4.99 120.51 107.51 2bvu n ALA 101 Ca 0.11 -0.88 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 2bvu n ALA 101 Cb 0.51 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.34 2.60 -3.57 0.00 4.81 -1.26 -4.95 118.16 112.45 2bvu n LYS 102 Ca 0.08 -4.53 -0.13 0.00 -0.87 0.00 0.00 58.31 52.86 2bvu n LYS 102 Cb 0.32 -2.36 -0.06 0.00 0.02 0.00 0.00 35.03 32.95 2bvu n LYS 102 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2bvu s GLN 103 N -1.77 0.75 -0.25 1.64 -0.21 -1.26 -4.99 119.66 113.58 2bvu s GLN 103 Ca 0.30 0.35 -0.29 0.00 0.02 0.00 0.00 55.36 55.74 2bvu s GLN 103 Cb -0.01 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.37 2bvu s GLN 103 CO -0.09 -0.20 1.04 0.12 -2.12 0.00 0.00 175.29 174.04 2bvu s PHE 104 N -0.75 3.30 -0.29 0.91 5.36 -1.26 -4.97 117.98 120.28 2bvu s PHE 104 Ca -0.04 1.40 -0.11 0.00 -0.96 0.00 0.00 56.93 57.23 2bvu s PHE 104 Cb -0.02 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2bvu s PHE 104 CO 0.03 -0.54 0.18 -0.98 -1.46 0.00 0.00 175.22 172.45 2bvu s ARG 105 N 3.29 3.75 0.26 10.12 1.70 -1.26 -4.97 118.95 131.84 2bvu s ARG 105 Ca 0.44 -0.45 -0.02 0.00 -0.47 0.00 0.00 55.73 55.23 2bvu s ARG 105 Cb -0.14 -3.64 0.56 0.00 -0.57 0.00 0.00 34.95 31.15 2bvu s ARG 105 CO 0.08 -0.27 1.70 0.00 -1.08 0.00 0.00 175.30 175.73 2bvu h ARG 106 N 8.38 0.34 0.00 3.89 2.47 -2.02 -2.12 114.38 125.32 2bvu h ARG 106 Ca -0.34 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 2bvu h ARG 106 Cb 1.18 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2bvu h ARG 106 CO 0.58 0.22 0.25 -0.85 0.56 0.00 0.00 179.97 180.73 2bvu n GLU 107 N -5.09 0.02 0.19 0.04 -0.00 -1.26 -1.01 120.64 113.53 2bvu n GLU 107 Ca 0.17 0.35 0.06 0.00 -0.00 0.00 0.00 57.16 57.74 2bvu n GLU 107 Cb 0.52 -1.82 0.36 0.00 -0.00 0.00 0.00 31.44 30.50 2bvu n GLU 107 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 2bvu h TRP 108 N 0.00 0.00 0.00 -1.84 6.55 -1.80 -2.65 115.95 116.21 2bvu h TRP 108 Ca 0.00 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.72 2bvu h TRP 108 Cb 0.50 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.78 2bvu h TRP 108 CO 0.00 0.36 -1.31 1.19 -1.05 0.00 0.00 178.44 177.63 2bvu n PHE 109 N -3.58 0.98 -0.10 0.49 3.72 -0.18 -4.27 117.46 114.51 2bvu n PHE 109 Ca -0.00 0.31 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2bvu n PHE 109 Cb 0.48 -1.05 -0.04 0.00 -0.94 0.00 0.00 39.48 37.94 2bvu n PHE 109 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2bvu h GLN 110 N 0.00 0.71 0.00 -1.08 7.50 -1.52 -3.47 115.11 117.25 2bvu h GLN 110 Ca -0.12 -0.34 -0.08 0.00 0.50 0.00 0.00 58.65 58.61 2bvu h GLN 110 Cb 1.43 -0.01 0.05 0.00 0.05 0.00 0.00 27.48 29.01 2bvu h GLN 110 CO 0.03 0.95 -0.03 0.41 -1.50 0.00 0.00 178.83 178.69 2bvu n GLY 111 N 0.05 -3.52 3.74 3.46 0.00 -1.05 -4.97 105.19 102.90 2bvu n GLY 111 Ca -0.03 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.23 7.37 0.00 1.61 1.11 -1.26 -4.95 116.67 118.32 2bvu s ASP 112 Ca 0.15 2.07 0.00 0.00 0.18 0.00 0.00 52.55 54.96 2bvu s ASP 112 Cb -0.02 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2bvu s ASP 112 CO 0.13 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 176.98 2bvu n GLY 113 N 1.74 2.14 3.73 0.21 0.00 -1.26 -5.10 105.19 106.64 2bvu n GLY 113 Ca 0.01 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2bvu n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bvu s MET 114 N -1.64 4.63 0.10 1.61 -1.94 -1.26 -5.07 119.30 115.73 2bvu s MET 114 Ca 0.00 1.54 0.04 0.00 -1.71 0.00 0.00 55.69 55.57 2bvu s MET 114 Cb 0.00 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 2bvu s MET 114 CO 0.00 0.11 0.05 0.08 -0.01 0.00 0.00 175.02 175.25 2bvu s VAL 115 N 0.15 4.30 0.08 -6.03 1.01 -1.26 -4.65 120.40 114.00 2bvu s VAL 115 Ca 0.49 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2bvu s VAL 115 Cb -0.25 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2bvu s VAL 115 CO 0.31 0.08 -0.20 -0.60 0.00 0.00 0.00 175.10 174.69 2bvu s ARG 116 N -2.49 1.14 0.02 2.72 3.52 0.03 -5.00 118.95 118.89 2bvu s ARG 116 Ca 0.28 -1.06 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 2bvu s ARG 116 Cb -0.12 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.93 2bvu s ARG 116 CO 0.21 0.31 -0.18 1.03 -0.81 0.00 0.00 175.30 175.86 2bvu s ARG 117 N -1.67 1.29 -0.04 5.12 0.52 -1.26 -1.05 118.95 121.86 2bvu s ARG 117 Ca 0.05 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2bvu s ARG 117 Cb -0.10 -1.33 0.01 0.00 0.52 0.00 0.00 34.95 34.06 2bvu s ARG 117 CO 0.03 0.34 -0.09 0.21 0.02 0.00 0.00 175.30 175.82 2bvu s LYS 118 N -0.93 1.05 -0.16 3.54 2.20 0.28 -4.97 119.74 120.75 2bvu s LYS 118 Ca 0.06 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.32 2bvu s LYS 118 Cb -0.08 -0.97 -0.04 0.00 -1.51 0.00 0.00 37.83 35.24 2bvu s LYS 118 CO 0.01 0.06 0.06 -0.80 -0.36 0.00 0.00 175.35 174.32 2bvu s ASN 119 N 0.43 5.68 -0.38 1.43 0.01 -1.26 0.10 114.94 120.95 2bvu s ASN 119 Ca -0.07 0.14 -0.04 0.00 -0.71 0.00 0.00 52.86 52.18 2bvu s ASN 119 Cb -0.11 -1.92 0.09 0.00 0.41 0.00 0.00 41.25 39.72 2bvu s ASN 119 CO 0.01 0.23 0.16 -0.76 -1.51 0.00 0.00 177.10 175.22 2bvu s LEU 120 N 0.04 4.85 0.22 0.60 1.43 0.73 -4.90 118.68 121.65 2bvu s LEU 120 Ca 0.06 -1.72 -0.32 0.00 -1.03 0.00 0.00 54.13 51.12 2bvu s LEU 120 Cb -0.12 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 44.15 2bvu s LEU 120 CO 0.01 -0.46 1.62 -2.65 0.23 0.00 0.00 176.35 175.10 2bvu n PRO 121 N 4.66 2.50 -2.94 1.29 -0.02 -1.26 -0.63 135.00 138.60 2bvu n PRO 121 Ca -0.07 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 61.91 2bvu n PRO 121 Cb 0.42 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 2bvu n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2bvu s ILE 122 N 0.72 4.88 -0.04 4.25 -1.09 -0.75 -1.48 121.20 127.68 2bvu s ILE 122 Ca 0.73 1.67 0.07 0.00 -2.23 0.00 0.00 60.65 60.89 2bvu s ILE 122 Cb -0.57 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.16 2bvu s ILE 122 CO 0.39 0.27 -0.25 -1.61 -1.23 0.00 0.00 174.94 172.52 2bvu s GLU 123 N 0.51 2.35 -0.33 2.79 2.02 0.12 -4.69 118.70 121.47 2bvu s GLU 123 Ca 0.41 -0.90 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 2bvu s GLU 123 Cb -0.20 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 31.95 2bvu s GLU 123 CO 0.22 0.48 0.08 0.71 0.02 0.00 0.00 175.26 176.77 2bvu s TYR 124 N -0.40 3.28 -0.40 1.61 2.02 -1.26 -0.21 117.35 121.98 2bvu s TYR 124 Ca 0.04 -1.63 -0.22 0.00 -0.37 0.00 0.00 57.07 54.89 2bvu s TYR 124 Cb -0.12 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2bvu s TYR 124 CO 0.01 -0.77 0.71 1.21 -1.57 0.00 0.00 175.55 175.14 2bvu s ASN 125 N 1.40 6.43 0.00 2.29 2.47 0.44 -4.98 114.94 122.99 2bvu s ASN 125 Ca -0.02 0.02 0.28 0.00 0.42 0.00 0.00 52.86 53.55 2bvu s ASN 125 Cb -0.20 -2.35 0.96 0.00 -1.45 0.00 0.00 41.25 38.20 2bvu s ASN 125 CO 0.01 -0.75 1.69 0.18 -3.72 0.00 0.00 177.10 174.52