#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bup s PRO 5 N 0.00 3.50 0.14 1.61 0.02 -1.26 -4.96 135.00 134.04 2bup s PRO 5 Ca 0.00 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.49 2bup s PRO 5 Cb 0.00 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2bup s PRO 5 CO 0.00 -0.71 0.35 0.00 -0.33 0.00 0.00 177.00 176.31 2bup s ALA 6 N -1.88 3.84 0.31 -1.55 0.00 -1.26 -4.59 121.76 116.64 2bup s ALA 6 Ca 0.70 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.11 2bup s ALA 6 Cb -0.21 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 2bup s ALA 6 CO 0.25 0.67 -0.12 0.14 0.00 0.00 0.00 175.76 176.70 2bup s VAL 7 N -1.66 2.20 -0.12 0.00 -7.23 -0.55 -4.55 120.40 108.49 2bup s VAL 7 Ca 0.40 -2.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2bup s VAL 7 Cb -0.12 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2bup s VAL 7 CO 0.26 -0.28 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.84 2bup s GLY 8 N -3.55 1.60 -0.09 2.32 0.00 -0.28 -1.05 107.32 106.28 2bup s GLY 8 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2bup s GLY 8 CO 0.15 -0.26 -0.09 -0.42 0.00 0.00 0.00 173.10 172.48 2bup s ILE 9 N 0.13 1.01 -0.46 0.90 1.01 -0.29 -0.94 121.20 122.57 2bup s ILE 9 Ca -0.05 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 2bup s ILE 9 Cb -0.14 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.37 2bup s ILE 9 CO 0.04 0.35 0.65 -0.62 0.00 0.00 0.00 174.94 175.36 2bup s ASP 10 N 1.30 6.30 -0.95 3.58 2.15 0.08 -2.36 116.67 126.77 2bup s ASP 10 Ca -0.03 -0.45 -0.16 0.00 0.43 0.00 0.00 52.55 52.34 2bup s ASP 10 Cb -0.14 -2.32 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 2bup s ASP 10 CO -0.03 -0.82 1.05 -0.22 -0.17 0.00 0.00 175.17 174.98 2bup s LEU 11 N 2.83 5.70 0.56 -1.34 2.96 -1.26 -1.74 118.68 126.39 2bup s LEU 11 Ca 0.21 -2.51 -0.14 0.00 -0.22 0.00 0.00 54.13 51.48 2bup s LEU 11 Cb -0.15 -2.32 -0.06 0.00 0.50 0.00 0.00 46.19 44.16 2bup s LEU 11 CO 0.18 -0.80 1.00 -0.83 -1.32 0.00 0.00 176.35 174.58 2bup s GLY 12 N 2.86 1.88 0.29 7.98 0.00 -1.06 -4.95 107.32 114.33 2bup s GLY 12 Ca 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 2bup s GLY 12 CO -0.08 0.32 1.88 -1.33 0.00 0.00 0.00 173.10 173.89 2bup h GLY 13 N 0.38 0.98 0.00 0.20 0.00 -1.98 -3.36 103.07 99.29 2bup h GLY 13 Ca -0.46 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 2bup h GLY 13 CO 0.62 0.46 -1.27 -1.30 0.00 0.00 0.00 176.54 175.04 2bup n THR 14 N -4.33 0.27 -4.15 4.70 -2.24 -1.26 -4.27 114.28 103.00 2bup n THR 14 Ca 0.06 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 2bup n THR 14 Cb 0.15 -0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 67.47 2bup n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2bup s TYR 15 N -2.10 0.80 0.28 4.78 2.02 -1.26 -0.97 117.35 120.90 2bup s TYR 15 Ca -0.04 -0.38 0.10 0.00 -0.37 0.00 0.00 57.07 56.37 2bup s TYR 15 Cb 0.01 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 41.05 2bup s TYR 15 CO 0.13 -0.03 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.91 2bup s SER 16 N -1.22 4.23 -0.11 2.29 0.01 0.18 -2.55 113.70 116.54 2bup s SER 16 Ca -0.04 -0.81 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 2bup s SER 16 Cb -0.08 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.54 2bup s SER 16 CO 0.01 -0.03 0.33 0.00 0.41 0.00 0.00 173.24 173.96 2bup s VAL 18 N -0.10 1.14 0.17 0.00 0.11 -1.26 -0.74 120.40 119.71 2bup s VAL 18 Ca -0.03 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2bup s VAL 18 Cb -0.03 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2bup s VAL 18 CO 0.01 0.33 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.26 2bup s GLY 19 N -0.12 1.18 -0.02 6.54 0.00 -0.11 -1.62 107.32 113.16 2bup s GLY 19 Ca 0.01 -1.56 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 2bup s GLY 19 CO 0.00 -1.54 0.05 0.54 0.00 0.00 0.00 173.10 172.15 2bup s VAL 20 N -3.58 -0.02 -0.30 1.40 0.11 -0.45 -1.12 120.40 116.44 2bup s VAL 20 Ca 0.22 0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.20 2bup s VAL 20 Cb 0.05 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 2bup s VAL 20 CO 0.03 0.03 0.33 0.12 -3.33 0.00 0.00 175.10 172.28 2bup s PHE 21 N 0.40 3.23 -0.02 1.54 2.19 -1.26 0.02 117.98 124.07 2bup s PHE 21 Ca -0.03 0.19 -0.06 0.00 0.33 0.00 0.00 56.93 57.36 2bup s PHE 21 Cb -0.05 -2.57 0.01 0.00 -1.31 0.00 0.00 43.02 39.10 2bup s PHE 21 CO -0.01 -0.29 0.13 -0.65 1.83 0.00 0.00 175.22 176.23 2bup s GLN 22 N 1.98 0.32 -1.52 10.12 -0.21 -0.11 -4.88 119.66 125.36 2bup s GLN 22 Ca 0.12 -0.12 -0.11 0.00 0.02 0.00 0.00 55.36 55.27 2bup s GLN 22 Cb -0.16 0.14 0.08 0.00 1.00 0.00 0.00 33.01 34.07 2bup s GLN 22 CO 0.11 -0.07 0.83 0.72 -2.12 0.00 0.00 175.29 174.77 2bup n HIS 23 N 2.21 -2.05 -1.35 0.91 8.25 -1.26 -1.24 115.22 120.69 2bup n HIS 23 Ca -0.18 0.86 -0.12 0.00 -0.26 0.00 0.00 57.72 58.02 2bup n HIS 23 Cb 0.57 -3.79 -0.05 0.00 1.12 0.00 0.00 29.99 27.84 2bup n HIS 23 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bup n GLY 24 N -1.65 1.24 3.00 -1.41 0.00 -1.26 -4.99 105.19 100.12 2bup n GLY 24 Ca -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2bup n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bup s LYS 25 N -2.91 0.46 -0.09 1.61 1.02 -0.37 -5.13 119.74 114.32 2bup s LYS 25 Ca 0.00 -0.43 -0.20 0.00 0.02 0.00 0.00 55.97 55.36 2bup s LYS 25 Cb 0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 2bup s LYS 25 CO 0.00 0.08 0.54 0.08 -0.92 0.00 0.00 175.35 175.14 2bup s VAL 26 N -0.66 5.12 -0.29 3.17 1.01 -1.26 -0.94 120.40 126.55 2bup s VAL 26 Ca -0.03 1.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 2bup s VAL 26 Cb -0.05 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2bup s VAL 26 CO 0.00 0.32 0.07 -0.70 0.00 0.00 0.00 175.10 174.80 2bup s GLU 27 N 0.53 3.11 -0.18 2.72 2.56 0.10 -4.94 118.70 122.61 2bup s GLU 27 Ca 0.29 -0.84 -0.26 0.00 0.00 0.00 0.00 54.97 54.17 2bup s GLU 27 Cb -0.16 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.60 2bup s GLU 27 CO 0.13 -0.43 0.85 0.42 -0.56 0.00 0.00 175.26 175.68 2bup s ILE 28 N 1.50 4.85 -0.19 -3.70 -1.09 -1.26 -1.34 121.20 119.98 2bup s ILE 28 Ca 0.03 1.67 -0.21 0.00 -2.23 0.00 0.00 60.65 59.91 2bup s ILE 28 Cb -0.17 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2bup s ILE 28 CO 0.02 -0.00 0.62 -0.63 -1.23 0.00 0.00 174.94 173.72 2bup s ILE 29 N 2.32 5.03 0.34 2.92 1.01 -0.64 -5.01 121.20 127.17 2bup s ILE 29 Ca 0.39 1.18 -0.26 0.00 0.00 0.00 0.00 60.65 61.96 2bup s ILE 29 Cb -0.16 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 2bup s ILE 29 CO 0.11 0.13 1.00 0.00 0.00 0.00 0.00 174.94 176.19 2bup s ALA 30 N 1.77 3.19 0.81 9.38 0.00 -1.26 -4.66 121.76 130.99 2bup s ALA 30 Ca 0.29 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2bup s ALA 30 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2bup s ALA 30 CO 0.11 -0.00 0.00 0.27 0.00 0.00 0.00 175.76 176.14 2bup n ASN 31 N 0.42 0.00 0.29 0.00 0.23 0.16 -4.82 115.26 111.54 2bup n ASN 31 Ca 0.03 -0.88 0.15 0.00 -0.53 0.00 0.00 54.58 53.35 2bup n ASN 31 Cb 0.49 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.08 2bup n ASN 31 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2bup h ASP 32 N 0.00 0.00 -0.28 0.53 3.32 -1.96 -0.42 116.42 117.61 2bup h ASP 32 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bup h ASP 32 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bup h ASP 32 CO 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 2bup n GLN 33 N -3.67 2.20 -0.98 3.56 3.00 -1.26 -4.93 117.38 115.30 2bup n GLN 33 Ca -0.02 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.17 2bup n GLN 33 Cb 0.14 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.91 2bup n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bup n GLY 34 N 1.35 0.47 3.75 1.08 0.00 -0.17 -5.03 105.19 106.64 2bup n GLY 34 Ca 0.18 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2bup n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bup s ASN 35 N -2.35 6.65 0.00 1.61 0.01 -1.26 -4.69 114.94 114.92 2bup s ASN 35 Ca 0.00 0.77 0.25 0.00 -0.71 0.00 0.00 52.86 53.16 2bup s ASN 35 Cb 0.00 -2.25 1.13 0.00 0.41 0.00 0.00 41.25 40.54 2bup s ASN 35 CO 0.00 0.10 1.81 0.54 -1.51 0.00 0.00 177.10 178.03 2bup n ARG 36 N 3.25 0.14 -4.14 -0.60 1.74 -1.26 -0.67 116.66 115.13 2bup n ARG 36 Ca -0.10 0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 2bup n ARG 36 Cb 0.52 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 2bup n ARG 36 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2bup s THR 37 N -2.83 0.67 -0.04 0.55 -4.23 -1.26 -4.61 115.64 103.89 2bup s THR 37 Ca 0.17 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2bup s THR 37 Cb 0.16 -1.33 0.01 0.00 1.34 0.00 0.00 72.50 72.69 2bup s THR 37 CO 0.42 -0.70 -0.09 -0.89 -0.54 0.00 0.00 174.62 172.82 2bup s THR 38 N -2.83 0.85 0.27 3.99 2.01 0.26 -4.92 115.64 115.26 2bup s THR 38 Ca 0.05 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 2bup s THR 38 Cb -0.00 -0.79 -0.13 0.00 0.01 0.00 0.00 72.50 71.59 2bup s THR 38 CO -0.03 0.28 1.40 -2.65 -0.69 0.00 0.00 174.62 172.93 2bup n PRO 39 N 3.68 2.14 -1.80 4.92 -0.02 -1.26 0.50 135.00 143.15 2bup n PRO 39 Ca -0.22 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 2bup n PRO 39 Cb 0.52 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2bup n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2bup n SER 40 N 1.81 7.92 -4.33 2.55 7.64 -0.15 -3.86 113.62 125.20 2bup n SER 40 Ca 0.09 -2.95 -0.28 0.00 1.01 0.00 0.00 58.87 56.75 2bup n SER 40 Cb 0.33 -1.44 -0.14 0.00 -1.01 0.00 0.00 64.21 61.95 2bup n SER 40 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2bup s TYR 41 N 0.13 2.11 -0.01 1.43 1.51 -1.26 -4.38 117.35 116.89 2bup s TYR 41 Ca 0.58 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 2bup s TYR 41 Cb 0.18 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 2bup s TYR 41 CO -0.08 0.20 0.01 0.08 -1.11 0.00 0.00 175.55 174.65 2bup s VAL 42 N -0.95 0.02 0.10 0.71 1.01 -0.52 -1.15 120.40 119.61 2bup s VAL 42 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2bup s VAL 42 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2bup s VAL 42 CO 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 175.10 175.04 2bup s ALA 43 N 0.42 1.34 -0.05 5.51 0.00 0.54 0.60 121.76 130.12 2bup s ALA 43 Ca -0.04 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2bup s ALA 43 Cb -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2bup s ALA 43 CO -0.01 0.12 -0.17 -0.06 0.00 0.00 0.00 175.76 175.64 2bup s PHE 44 N -1.78 1.77 0.20 0.00 0.08 -0.46 -0.45 117.98 117.34 2bup s PHE 44 Ca 0.04 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.56 2bup s PHE 44 Cb -0.07 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2bup s PHE 44 CO 0.02 -0.20 0.07 0.25 -0.10 0.00 0.00 175.22 175.26 2bup n THR 45 N 3.26 0.00 0.32 0.64 -2.24 -0.47 -4.77 114.28 111.03 2bup n THR 45 Ca -0.19 -1.14 0.21 0.00 -2.27 0.00 0.00 64.05 60.66 2bup n THR 45 Cb 0.53 0.41 1.06 0.00 -2.10 0.00 0.00 70.33 70.23 2bup n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2bup h ASP 46 N 0.78 0.00 0.00 3.42 3.32 -1.94 -1.40 116.42 120.60 2bup h ASP 46 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2bup h ASP 46 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2bup h ASP 46 CO 0.24 0.00 -0.28 0.35 -1.72 0.00 0.00 179.24 177.83 2bup n THR 47 N -3.09 0.00 -3.98 0.35 -2.24 -1.26 -3.76 114.28 100.30 2bup n THR 47 Ca -0.02 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 2bup n THR 47 Cb 0.14 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 2bup n THR 47 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2bup s GLU 48 N -0.76 1.63 -0.17 -0.78 -1.05 -1.25 -4.99 118.70 111.33 2bup s GLU 48 Ca 0.00 -1.24 -0.02 0.00 -0.15 0.00 0.00 54.97 53.56 2bup s GLU 48 Cb 0.00 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 2bup s GLU 48 CO 0.00 -0.69 -0.08 0.50 0.95 0.00 0.00 175.26 175.93 2bup s ARG 49 N -3.89 3.43 -0.00 -4.83 3.52 -1.26 -1.36 118.95 114.55 2bup s ARG 49 Ca 0.21 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 2bup s ARG 49 Cb -0.02 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2bup s ARG 49 CO 0.09 0.07 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.04 2bup s LEU 50 N 0.75 2.95 0.01 -0.88 1.43 0.40 -4.96 118.68 118.39 2bup s LEU 50 Ca -0.04 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2bup s LEU 50 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2bup s LEU 50 CO 0.02 0.29 -0.07 -0.63 0.23 0.00 0.00 176.35 176.19 2bup s ILE 51 N -0.92 0.51 0.00 -0.59 1.01 -1.26 -0.34 121.20 119.61 2bup s ILE 51 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2bup s ILE 51 Cb -0.11 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2bup s ILE 51 CO 0.05 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2bup n GLY 52 N 2.43 1.13 0.29 6.18 0.00 -0.30 -3.46 105.19 111.45 2bup n GLY 52 Ca -0.16 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.24 2bup n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bup h ASP 53 N 3.67 0.59 -0.36 1.61 3.32 -1.91 -1.25 116.42 122.10 2bup h ASP 53 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2bup h ASP 53 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2bup h ASP 53 CO 0.00 0.35 0.24 0.00 -1.72 0.00 0.00 179.24 178.11 2bup h ALA 54 N 1.42 1.77 0.13 3.45 0.00 -1.95 -1.70 119.26 122.38 2bup h ALA 54 Ca 0.36 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 2bup h ALA 54 Cb 0.32 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2bup h ALA 54 CO -0.24 0.20 -1.18 0.00 0.00 0.00 0.00 179.25 178.03 2bup h ALA 55 N 1.78 -0.03 0.00 0.00 0.00 -1.40 -3.29 119.26 116.32 2bup h ALA 55 Ca 0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 2bup h ALA 55 Cb -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bup h ALA 55 CO -0.03 0.63 -0.38 -0.22 0.00 0.00 0.00 179.25 179.25 2bup h LYS 56 N 0.18 0.00 0.00 0.00 3.64 -1.00 -2.92 116.57 116.47 2bup h LYS 56 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2bup h LYS 56 Cb 1.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2bup h LYS 56 CO 0.23 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.88 2bup n ASN 57 N -3.64 0.54 -0.01 4.20 5.03 -0.66 -3.03 115.26 117.68 2bup n ASN 57 Ca -0.01 0.64 0.01 0.00 0.87 0.00 0.00 54.58 56.10 2bup n ASN 57 Cb 0.49 -0.75 0.02 0.00 -1.02 0.00 0.00 39.78 38.51 2bup n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2bup n GLN 58 N -2.10 2.62 -0.30 3.52 -0.00 -1.11 -4.79 117.38 115.21 2bup n GLN 58 Ca 0.02 -1.60 0.04 0.00 -0.00 0.00 0.00 57.00 55.45 2bup n GLN 58 Cb 0.20 -1.04 0.18 0.00 -0.00 0.00 0.00 30.24 29.57 2bup n GLN 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 2bup h VAL 59 N 0.17 0.89 -0.53 -0.39 3.04 -1.47 -1.84 116.25 116.13 2bup h VAL 59 Ca 0.00 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 2bup h VAL 59 Cb 0.60 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 2bup h VAL 59 CO 0.00 0.14 0.30 0.00 -1.01 0.00 0.00 177.57 177.01 2bup h ALA 60 N 1.47 1.55 0.00 3.17 0.00 -1.87 -2.28 119.26 121.31 2bup h ALA 60 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bup h ALA 60 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bup h ALA 60 CO -0.26 0.39 -0.62 0.00 0.00 0.00 0.00 179.25 178.76 2bup n MET 61 N -4.42 0.12 -2.94 0.00 -0.00 -0.82 -4.42 117.12 104.65 2bup n MET 61 Ca 0.05 0.02 -0.15 0.00 -0.00 0.00 0.00 57.70 57.62 2bup n MET 61 Cb 0.08 -1.56 -0.01 0.00 -0.00 0.00 0.00 33.22 31.73 2bup n MET 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2bup n ASN 62 N -1.74 1.46 -0.29 3.17 5.15 -0.76 -4.99 115.26 117.27 2bup n ASN 62 Ca 0.04 -2.97 0.04 0.00 -0.60 0.00 0.00 54.58 51.10 2bup n ASN 62 Cb 0.38 -0.57 0.24 0.00 -0.53 0.00 0.00 39.78 39.30 2bup n ASN 62 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2bup h PRO 63 N 2.98 0.99 0.00 1.20 0.13 -1.63 -2.60 132.00 133.07 2bup h PRO 63 Ca 0.03 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2bup h PRO 63 Cb 1.02 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2bup h PRO 63 CO 0.53 0.66 0.00 1.79 -0.23 0.00 0.00 178.00 180.75 2bup h THR 64 N 1.02 0.00 -0.17 1.56 1.35 -1.90 -3.28 112.91 111.50 2bup h THR 64 Ca 0.38 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2bup h THR 64 Cb 0.17 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2bup h THR 64 CO -0.14 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.72 2bup n ASN 65 N -2.64 2.80 -4.28 5.36 3.02 -1.09 -4.48 115.26 113.96 2bup n ASN 65 Ca 0.04 -2.47 -0.36 0.00 -0.03 0.00 0.00 54.58 51.77 2bup n ASN 65 Cb 0.44 -0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.19 2bup n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bup s THR 66 N -1.82 3.46 -0.13 3.41 2.01 -1.00 -1.35 115.64 120.21 2bup s THR 66 Ca 0.24 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 2bup s THR 66 Cb 0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2bup s THR 66 CO 0.07 0.17 0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 2bup s VAL 67 N 1.43 5.48 0.31 3.82 1.01 0.20 -4.80 120.40 127.84 2bup s VAL 67 Ca 0.02 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 2bup s VAL 67 Cb -0.17 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2bup s VAL 67 CO -0.01 0.59 0.46 0.72 0.00 0.00 0.00 175.10 176.85 2bup s PHE 68 N -0.77 0.86 -2.05 5.22 -0.71 -1.26 -1.44 117.98 117.82 2bup s PHE 68 Ca 0.14 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 54.89 2bup s PHE 68 Cb -0.12 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.67 2bup s PHE 68 CO 0.03 -1.07 0.00 -0.25 -1.34 0.00 0.00 175.22 172.59 2bup n ASP 69 N -1.05 -5.52 0.25 1.98 8.00 -1.26 -4.85 116.55 114.11 2bup n ASP 69 Ca 0.00 0.37 0.14 0.00 0.71 0.00 0.00 54.79 56.02 2bup n ASP 69 Cb 0.62 -4.73 0.82 0.00 -0.02 0.00 0.00 41.12 37.81 2bup n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bup h ALA 70 N 0.23 1.76 0.00 2.24 0.00 -1.87 -1.08 119.26 120.54 2bup h ALA 70 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bup h ALA 70 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bup h ALA 70 CO 0.60 -0.11 0.00 -0.22 0.00 0.00 0.00 179.25 179.52 2bup h LYS 71 N 0.00 0.00 0.00 0.00 3.64 -1.88 -0.37 116.57 117.96 2bup h LYS 71 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2bup h LYS 71 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2bup h LYS 71 CO -0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 179.45 176.92 2bup h ARG 72 N 0.00 0.00 0.00 1.90 3.08 -1.58 -3.31 114.38 114.47 2bup h ARG 72 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2bup h ARG 72 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2bup h ARG 72 CO 0.00 0.00 -2.00 1.28 -1.07 0.00 0.00 179.97 178.18 2bup n LEU 73 N -2.42 0.00 -4.68 3.04 4.77 -0.38 -4.82 117.00 112.52 2bup n LEU 73 Ca 0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.57 2bup n LEU 73 Cb 0.46 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2bup n LEU 73 CO 0.34 0.23 1.29 0.00 -1.33 0.00 0.00 177.39 177.92 2bup n ILE 74 N -2.40 0.13 -0.94 -0.08 3.06 -0.29 -1.45 119.36 117.39 2bup n ILE 74 Ca -0.17 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 2bup n ILE 74 Cb 0.79 -1.71 0.00 0.00 0.54 0.00 0.00 39.64 39.26 2bup n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2bup n GLY 75 N 3.73 0.56 3.94 4.50 0.00 -1.26 -4.59 105.19 112.06 2bup n GLY 75 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2bup n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bup s ARG 76 N -0.38 3.26 0.35 1.61 0.52 -0.53 -4.16 118.95 119.62 2bup s ARG 76 Ca 0.00 -0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 54.24 2bup s ARG 76 Cb 0.00 -2.79 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 2bup s ARG 76 CO 0.00 0.36 0.69 -0.98 0.02 0.00 0.00 175.30 175.39 2bup s ARG 77 N -3.98 3.77 0.31 3.54 1.04 -1.26 -4.33 118.95 118.04 2bup s ARG 77 Ca 0.35 0.35 -0.00 0.00 -1.04 0.00 0.00 55.73 55.39 2bup s ARG 77 Cb -0.09 -2.49 0.49 0.00 -2.04 0.00 0.00 34.95 30.83 2bup s ARG 77 CO 0.28 0.09 1.93 0.35 -0.04 0.00 0.00 175.30 177.91 2bup h PHE 78 N 1.61 0.89 -0.01 5.89 3.57 -1.38 -2.34 116.94 125.17 2bup h PHE 78 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2bup h PHE 78 Cb 1.18 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2bup h PHE 78 CO 0.60 0.63 0.00 -0.25 -2.23 0.00 0.00 178.31 177.06 2bup n ASP 79 N -4.37 0.11 -4.73 0.41 8.00 -1.26 -4.37 116.55 110.33 2bup n ASP 79 Ca 0.06 -1.52 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 2bup n ASP 79 Cb 0.10 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2bup n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bup s ASP 80 N -1.49 6.64 0.36 -2.24 -1.08 -0.88 -4.89 116.67 113.07 2bup s ASP 80 Ca 0.24 2.61 0.09 0.00 -0.52 0.00 0.00 52.55 54.98 2bup s ASP 80 Cb 0.11 -2.61 0.84 0.00 -1.46 0.00 0.00 42.92 39.80 2bup s ASP 80 CO 0.19 -0.76 1.86 0.00 0.52 0.00 0.00 175.17 176.98 2bup h ALA 81 N 6.05 1.86 -0.53 3.66 0.00 -1.90 -1.28 119.26 127.12 2bup h ALA 81 Ca -0.44 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bup h ALA 81 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2bup h ALA 81 CO 0.85 -0.12 0.32 0.28 0.00 0.00 0.00 179.25 180.59 2bup h VAL 82 N 0.67 1.16 -0.20 0.00 2.07 -1.96 -0.23 116.25 117.77 2bup h VAL 82 Ca 0.47 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2bup h VAL 82 Cb 0.79 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2bup h VAL 82 CO -0.22 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.15 2bup h VAL 83 N 0.71 1.21 -0.43 2.57 2.07 -1.57 0.83 116.25 121.64 2bup h VAL 83 Ca 0.19 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2bup h VAL 83 Cb -0.02 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2bup h VAL 83 CO -0.04 0.22 0.21 1.56 0.02 0.00 0.00 177.57 179.54 2bup h GLN 84 N 0.13 0.60 -0.02 1.57 1.08 -1.17 -0.85 115.11 116.46 2bup h GLN 84 Ca 0.06 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2bup h GLN 84 Cb 0.29 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2bup h GLN 84 CO 0.00 0.47 -0.10 1.03 -0.95 0.00 0.00 178.83 179.29 2bup h SER 85 N 0.61 0.12 -0.55 1.46 0.87 -0.75 -3.31 113.55 111.99 2bup h SER 85 Ca 0.15 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 2bup h SER 85 Cb 0.07 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2bup h SER 85 CO -0.02 0.78 0.32 0.44 -0.53 0.00 0.00 176.83 177.82 2bup h ASP 86 N -0.54 0.69 -0.55 6.23 3.32 -0.60 -3.02 116.42 121.95 2bup h ASP 86 Ca -0.01 -0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.10 2bup h ASP 86 Cb 0.78 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2bup h ASP 86 CO 0.02 0.55 0.37 0.24 -1.72 0.00 0.00 179.24 178.70 2bup h MET 87 N 0.78 0.28 0.00 3.56 2.86 -1.24 -0.93 114.93 120.25 2bup h MET 87 Ca 0.20 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2bup h MET 87 Cb 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2bup h MET 87 CO -0.03 0.19 -0.02 0.87 1.06 0.00 0.00 176.91 178.97 2bup h LYS 88 N 0.29 0.00 0.00 1.72 1.57 -1.66 -3.02 116.57 115.47 2bup h LYS 88 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2bup h LYS 88 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2bup h LYS 88 CO -0.06 0.02 -1.00 0.72 -0.57 0.00 0.00 179.45 178.56 2bup n HIS 89 N -3.16 0.00 -3.45 -1.35 8.25 -0.36 -4.96 115.22 110.19 2bup n HIS 89 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2bup n HIS 89 Cb 0.20 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 2bup n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2bup s TRP 90 N -3.02 3.61 -0.86 4.41 0.51 -1.14 -4.98 118.94 117.47 2bup s TRP 90 Ca 0.08 0.95 0.27 0.00 -2.12 0.00 0.00 56.10 55.28 2bup s TRP 90 Cb 0.16 -2.28 0.96 0.00 -0.81 0.00 0.00 33.47 31.50 2bup s TRP 90 CO 0.86 0.48 1.80 -0.35 -0.51 0.00 0.00 176.95 179.23 2bup n PRO 91 N 0.92 0.13 -3.84 4.98 -0.04 -1.26 -4.83 135.00 131.06 2bup n PRO 91 Ca -0.07 0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 2bup n PRO 91 Cb 0.52 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 2bup n PRO 91 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2bup s PHE 92 N -3.05 3.48 0.09 0.54 -0.12 -1.26 -4.28 117.98 113.37 2bup s PHE 92 Ca 0.12 0.15 -0.24 0.00 -0.05 0.00 0.00 56.93 56.91 2bup s PHE 92 Cb 0.16 -1.70 -0.06 0.00 -0.63 0.00 0.00 43.02 40.78 2bup s PHE 92 CO 0.58 0.42 0.72 1.41 -0.05 0.00 0.00 175.22 178.30 2bup s MET 93 N -3.60 4.46 -0.15 1.99 -2.45 -1.25 -4.99 119.30 113.31 2bup s MET 93 Ca 0.36 1.01 0.02 0.00 -1.25 0.00 0.00 55.69 55.83 2bup s MET 93 Cb -0.10 -3.31 0.01 0.00 1.25 0.00 0.00 34.83 32.68 2bup s MET 93 CO 0.30 0.45 -0.20 0.08 1.05 0.00 0.00 175.02 176.70 2bup s VAL 94 N -0.60 2.26 0.35 10.11 1.01 -1.26 -0.55 120.40 131.71 2bup s VAL 94 Ca 0.35 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.51 2bup s VAL 94 Cb -0.21 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2bup s VAL 94 CO 0.23 0.54 0.06 0.68 0.00 0.00 0.00 175.10 176.61 2bup s VAL 95 N 0.87 2.68 -0.27 2.92 -7.23 0.44 -4.92 120.40 114.89 2bup s VAL 95 Ca -0.05 -1.87 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 2bup s VAL 95 Cb -0.15 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 2bup s VAL 95 CO -0.02 -0.17 0.14 0.21 -0.31 0.00 0.00 175.10 174.94 2bup s ASN 96 N -3.77 5.60 -0.37 4.85 2.47 -1.26 -1.31 114.94 121.14 2bup s ASN 96 Ca 0.36 -0.14 0.02 0.00 0.42 0.00 0.00 52.86 53.52 2bup s ASN 96 Cb -0.00 -2.03 0.11 0.00 -1.45 0.00 0.00 41.25 37.88 2bup s ASN 96 CO 0.20 -0.06 0.11 -0.62 -3.72 0.00 0.00 177.10 173.02 2bup s ASP 97 N 1.69 4.92 -1.44 -4.21 -1.08 0.42 -4.73 116.67 112.22 2bup s ASP 97 Ca 0.07 -2.16 -0.07 0.00 -0.52 0.00 0.00 52.55 49.87 2bup s ASP 97 Cb -0.16 -1.70 0.03 0.00 -1.46 0.00 0.00 42.92 39.64 2bup s ASP 97 CO 0.07 -0.43 0.59 0.00 0.52 0.00 0.00 175.17 175.92 2bup n ALA 98 N 4.31 -1.03 -0.20 3.66 0.00 -1.26 -1.18 120.51 124.82 2bup n ALA 98 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2bup n ALA 98 Cb 0.41 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2bup n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bup n GLY 99 N -1.41 0.74 3.54 0.00 0.00 -1.26 -5.06 105.19 101.75 2bup n GLY 99 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2bup n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bup s ARG 100 N -0.70 2.64 0.34 1.61 0.52 -0.33 -1.04 118.95 122.00 2bup s ARG 100 Ca 0.00 -0.62 -0.26 0.00 -0.52 0.00 0.00 55.73 54.33 2bup s ARG 100 Cb 0.00 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2bup s ARG 100 CO 0.00 0.64 1.01 -1.25 0.02 0.00 0.00 175.30 175.73 2bup s PRO 101 N -0.83 4.43 0.01 3.54 0.04 -1.26 -0.44 135.00 140.49 2bup s PRO 101 Ca 0.12 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2bup s PRO 101 Cb -0.11 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 2bup s PRO 101 CO 0.02 0.10 -0.02 0.15 0.04 0.00 0.00 177.00 177.28 2bup s LYS 102 N -2.10 0.20 0.02 4.56 1.02 -0.43 -4.33 119.74 118.68 2bup s LYS 102 Ca 0.52 -0.33 -0.18 0.00 0.02 0.00 0.00 55.97 56.01 2bup s LYS 102 Cb -0.23 -0.00 -0.06 0.00 -0.52 0.00 0.00 37.83 37.02 2bup s LYS 102 CO 0.29 -0.01 0.50 0.14 -0.92 0.00 0.00 175.35 175.35 2bup s VAL 103 N -0.73 4.92 -0.13 3.17 -7.23 0.04 -0.42 120.40 120.02 2bup s VAL 103 Ca -0.07 1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 61.14 2bup s VAL 103 Cb -0.05 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.05 2bup s VAL 103 CO -0.00 0.52 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.60 2bup s GLN 104 N -0.80 3.38 0.25 4.82 0.74 0.28 -0.87 119.66 127.47 2bup s GLN 104 Ca 0.27 -0.69 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 2bup s GLN 104 Cb -0.18 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.28 2bup s GLN 104 CO 0.16 0.21 0.24 0.14 -0.55 0.00 0.00 175.29 175.49 2bup s VAL 105 N 0.35 0.00 -0.10 1.34 -7.23 -0.15 -3.81 120.40 110.80 2bup s VAL 105 Ca -0.11 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2bup s VAL 105 Cb -0.16 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2bup s VAL 105 CO 0.06 0.00 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.22 2bup s GLU 106 N -3.86 3.12 -0.07 4.82 0.41 -1.26 -0.35 118.70 121.51 2bup s GLU 106 Ca 0.37 -0.46 -0.03 0.00 -0.41 0.00 0.00 54.97 54.44 2bup s GLU 106 Cb 0.04 -2.79 0.04 0.00 -1.78 0.00 0.00 34.13 29.64 2bup s GLU 106 CO 0.16 0.58 0.13 -0.47 -0.49 0.00 0.00 175.26 175.17 2bup s TYR 107 N -0.55 -0.13 -1.54 1.61 5.04 -0.06 -4.35 117.35 117.37 2bup s TYR 107 Ca 0.09 0.49 -0.13 0.00 -2.44 0.00 0.00 57.07 55.08 2bup s TYR 107 Cb -0.12 -0.23 0.09 0.00 0.35 0.00 0.00 41.96 42.05 2bup s TYR 107 CO 0.02 -0.21 0.90 1.63 -1.34 0.00 0.00 175.55 176.55 2bup n LYS 108 N 4.86 -4.94 -1.00 4.97 5.02 -0.53 -1.66 118.16 124.87 2bup n LYS 108 Ca -0.14 0.55 -0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2bup n LYS 108 Cb 0.50 -5.35 -0.00 0.00 -0.02 0.00 0.00 35.03 30.17 2bup n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bup n GLY 109 N -1.64 0.36 3.19 0.72 0.00 -1.26 -5.01 105.19 101.54 2bup n GLY 109 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2bup n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bup s GLU 110 N -0.65 0.98 0.11 1.61 0.41 -0.66 -5.12 118.70 115.38 2bup s GLU 110 Ca 0.00 -0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 53.35 2bup s GLU 110 Cb 0.00 -1.05 -0.06 0.00 -1.78 0.00 0.00 34.13 31.24 2bup s GLU 110 CO 0.00 0.25 1.11 0.99 -0.49 0.00 0.00 175.26 177.12 2bup s THR 111 N -1.02 4.11 0.08 3.63 2.01 -1.26 -0.88 115.64 122.30 2bup s THR 111 Ca 0.02 1.66 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2bup s THR 111 Cb -0.09 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 2bup s THR 111 CO 0.02 0.21 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.54 2bup s LYS 112 N 0.33 0.72 0.03 4.92 -0.14 0.53 -4.95 119.74 121.17 2bup s LYS 112 Ca 0.53 -1.08 0.02 0.00 -1.36 0.00 0.00 55.97 54.08 2bup s LYS 112 Cb -0.28 -0.31 -0.02 0.00 -1.68 0.00 0.00 37.83 35.55 2bup s LYS 112 CO 0.32 0.03 -0.08 -1.54 -0.76 0.00 0.00 175.35 173.32 2bup s SER 113 N -2.37 0.87 0.01 2.83 1.04 -1.26 -0.98 113.70 113.84 2bup s SER 113 Ca 0.02 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2bup s SER 113 Cb -0.02 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2bup s SER 113 CO -0.02 -0.08 -0.06 -0.36 0.98 0.00 0.00 173.24 173.70 2bup s PHE 114 N -0.89 0.54 0.57 5.02 0.08 -0.05 -4.94 117.98 118.32 2bup s PHE 114 Ca -0.05 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.64 2bup s PHE 114 Cb -0.07 -0.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.99 2bup s PHE 114 CO 0.00 -0.03 1.05 0.71 -0.10 0.00 0.00 175.22 176.86 2bup s TYR 115 N -0.46 2.99 0.29 0.36 2.02 -1.26 -0.78 117.35 120.51 2bup s TYR 115 Ca -0.01 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 2bup s TYR 115 Cb -0.04 -3.02 0.64 0.00 -0.40 0.00 0.00 41.96 39.14 2bup s TYR 115 CO -0.00 -1.06 1.80 -1.35 -1.57 0.00 0.00 175.55 173.37 2bup h PRO 116 N 0.65 0.85 0.00 -1.71 0.11 -1.92 0.80 132.00 130.78 2bup h PRO 116 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2bup h PRO 116 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2bup h PRO 116 CO 0.58 0.56 -0.12 1.05 -0.21 0.00 0.00 178.00 179.86 2bup h GLU 117 N 0.87 0.00 -0.05 1.05 9.09 -1.92 0.07 114.58 123.70 2bup h GLU 117 Ca 0.54 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.70 2bup h GLU 117 Cb 0.69 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.81 2bup h GLU 117 CO -0.33 0.12 -0.95 0.93 0.05 0.00 0.00 179.01 178.83 2bup h GLU 118 N 0.00 0.70 -0.29 1.06 5.08 -1.21 -0.52 114.58 119.39 2bup h GLU 118 Ca -0.00 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 57.64 2bup h GLU 118 Cb 0.46 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2bup h GLU 118 CO 0.02 1.28 0.09 0.28 -1.00 0.00 0.00 179.01 179.67 2bup h VAL 119 N 0.42 1.20 0.00 3.13 2.07 -0.82 -2.41 116.25 119.85 2bup h VAL 119 Ca -0.10 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2bup h VAL 119 Cb 1.60 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2bup h VAL 119 CO 0.19 0.22 -0.23 0.28 0.02 0.00 0.00 177.57 178.04 2bup h SER 120 N 0.30 0.00 0.27 0.57 0.02 -1.01 -1.75 113.55 111.95 2bup h SER 120 Ca 0.09 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2bup h SER 120 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bup h SER 120 CO -0.00 0.23 -0.29 0.77 -1.14 0.00 0.00 176.83 176.39 2bup h SER 121 N 0.00 0.05 -0.43 3.07 4.64 -0.61 0.45 113.55 120.72 2bup h SER 121 Ca -0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 2bup h SER 121 Cb 0.49 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2bup h SER 121 CO 0.03 0.35 -0.13 0.24 -0.87 0.00 0.00 176.83 176.45 2bup h MET 122 N 0.05 0.84 -0.47 4.77 2.86 -0.93 0.15 114.93 122.19 2bup h MET 122 Ca 0.01 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 2bup h MET 122 Cb 0.55 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2bup h MET 122 CO 0.04 0.96 0.13 0.28 1.06 0.00 0.00 176.91 179.38 2bup h VAL 123 N 0.66 1.23 -0.24 -2.22 2.07 -1.26 -2.15 116.25 114.35 2bup h VAL 123 Ca 0.10 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2bup h VAL 123 Cb 0.67 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2bup h VAL 123 CO 0.05 0.29 -0.22 -0.07 0.02 0.00 0.00 177.57 177.64 2bup h LEU 124 N 0.63 0.42 -0.85 2.57 3.38 -0.74 -1.49 115.31 119.23 2bup h LEU 124 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bup h LEU 124 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2bup h LEU 124 CO -0.00 0.65 0.48 0.74 0.09 0.00 0.00 178.44 180.40 2bup h THR 125 N 0.39 1.25 -0.59 0.22 2.02 -0.44 0.13 112.91 115.88 2bup h THR 125 Ca 0.06 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2bup h THR 125 Cb 0.60 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2bup h THR 125 CO 0.04 0.27 0.24 0.50 0.37 0.00 0.00 175.52 176.94 2bup h LYS 126 N 1.19 0.87 -0.37 6.66 1.63 -0.81 -0.62 116.57 125.12 2bup h LYS 126 Ca 0.30 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 2bup h LYS 126 Cb 0.00 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2bup h LYS 126 CO -0.05 0.74 -0.23 0.52 -3.45 0.00 0.00 179.45 176.98 2bup h MET 127 N 0.81 0.74 -0.40 1.90 2.86 -0.70 -0.65 114.93 119.47 2bup h MET 127 Ca 0.20 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2bup h MET 127 Cb 0.19 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2bup h MET 127 CO -0.02 0.90 0.21 -0.22 1.06 0.00 0.00 176.91 178.85 2bup h LYS 128 N 0.64 0.57 -0.32 1.72 3.64 -0.49 -1.89 116.57 120.43 2bup h LYS 128 Ca 0.09 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2bup h LYS 128 Cb 0.73 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2bup h LYS 128 CO 0.06 0.47 -0.25 0.93 -2.27 0.00 0.00 179.45 178.39 2bup h GLU 129 N 0.52 0.63 -0.51 1.90 5.08 -0.83 -0.45 114.58 120.91 2bup h GLU 129 Ca 0.14 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2bup h GLU 129 Cb 0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2bup h GLU 129 CO -0.02 0.82 0.31 0.82 -1.00 0.00 0.00 179.01 179.94 2bup h ILE 130 N 0.55 1.07 -0.47 3.13 2.04 -0.89 -0.21 117.51 122.74 2bup h ILE 130 Ca 0.08 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 2bup h ILE 130 Cb 0.71 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2bup h ILE 130 CO 0.05 0.12 -0.19 0.00 0.00 0.00 0.00 178.15 178.13 2bup h ALA 131 N 1.22 0.79 -0.63 1.87 0.00 -1.02 -2.74 119.26 118.75 2bup h ALA 131 Ca 0.20 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2bup h ALA 131 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2bup h ALA 131 CO -0.08 0.66 0.18 0.93 0.00 0.00 0.00 179.25 180.94 2bup h GLU 132 N 0.80 0.97 -0.55 0.00 5.08 -0.53 -0.00 114.58 120.35 2bup h GLU 132 Ca 0.11 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2bup h GLU 132 Cb 0.74 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2bup h GLU 132 CO 0.06 0.84 0.01 0.00 -1.00 0.00 0.00 179.01 178.92 2bup h ALA 133 N 1.26 0.98 -0.14 3.43 0.00 -0.92 0.19 119.26 124.07 2bup h ALA 133 Ca 0.21 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2bup h ALA 133 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bup h ALA 133 CO -0.01 0.62 -0.32 -0.92 0.00 0.00 0.00 179.25 178.63 2bup h TYR 134 N 0.86 0.59 0.00 0.00 3.20 -1.18 -3.32 116.97 117.13 2bup h TYR 134 Ca 0.16 -0.22 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 2bup h TYR 134 Cb 0.49 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2bup h TYR 134 CO 0.03 0.94 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.89 2bup h LEU 135 N 0.07 0.00 1.36 2.82 3.38 -0.92 -3.47 115.31 118.55 2bup h LEU 135 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2bup h LEU 135 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2bup h LEU 135 CO 0.07 0.54 -0.27 0.61 0.09 0.00 0.00 178.44 179.48 2bup n GLY 136 N 1.16 0.22 3.26 0.83 0.00 0.66 -5.00 105.19 106.32 2bup n GLY 136 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 2bup n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bup s LYS 137 N -4.19 0.88 0.29 1.61 0.00 -1.22 -5.08 119.74 112.02 2bup s LYS 137 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 55.97 55.03 2bup s LYS 137 Cb 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 37.83 38.11 2bup s LYS 137 CO 0.00 -0.30 1.28 0.99 0.00 0.00 0.00 175.35 177.32 2bup s THR 138 N -3.14 2.95 -0.17 3.79 2.01 -1.26 -4.48 115.64 115.34 2bup s THR 138 Ca -0.01 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 62.87 2bup s THR 138 Cb 0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2bup s THR 138 CO -0.07 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.28 2bup s VAL 139 N -0.77 3.37 0.00 3.82 1.01 -1.26 -4.72 120.40 121.85 2bup s VAL 139 Ca 0.51 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2bup s VAL 139 Cb -0.38 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2bup s VAL 139 CO 0.47 0.48 0.00 0.35 0.00 0.00 0.00 175.10 176.40 2bup n THR 140 N 4.02 0.00 -2.75 3.92 -2.24 -1.26 -4.89 114.28 111.08 2bup n THR 140 Ca -0.18 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 2bup n THR 140 Cb 0.52 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 2bup n THR 140 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bup s ASN 141 N -4.92 7.63 0.01 3.42 0.01 -1.26 0.01 114.94 119.84 2bup s ASN 141 Ca 0.00 1.92 -0.21 0.00 -0.71 0.00 0.00 52.86 53.86 2bup s ASN 141 Cb 0.00 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.10 2bup s ASN 141 CO 0.00 0.13 0.47 0.00 -1.51 0.00 0.00 177.10 176.19 2bup s ALA 142 N -1.00 -1.20 -0.15 0.60 0.00 -0.60 -1.48 121.76 117.94 2bup s ALA 142 Ca 0.42 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 2bup s ALA 142 Cb -0.26 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2bup s ALA 142 CO 0.32 -0.41 -0.03 0.08 0.00 0.00 0.00 175.76 175.72 2bup s VAL 143 N -1.94 3.97 -0.03 0.00 1.01 -0.22 -0.56 120.40 122.64 2bup s VAL 143 Ca -0.08 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2bup s VAL 143 Cb -0.02 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2bup s VAL 143 CO 0.02 0.50 -0.26 -0.69 0.00 0.00 0.00 175.10 174.68 2bup s VAL 144 N 0.22 2.07 0.28 2.92 1.01 -1.02 -1.13 120.40 124.74 2bup s VAL 144 Ca -0.02 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 60.93 2bup s VAL 144 Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2bup s VAL 144 CO 0.03 0.58 0.36 0.42 0.00 0.00 0.00 175.10 176.49 2bup s THR 145 N -0.54 4.65 0.10 3.92 -4.23 -0.99 -2.06 115.64 116.48 2bup s THR 145 Ca 0.08 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 2bup s THR 145 Cb -0.11 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.14 2bup s THR 145 CO -0.00 -0.27 0.27 0.68 -0.54 0.00 0.00 174.62 174.76 2bup s VAL 146 N -2.09 0.11 0.60 2.29 -7.23 -0.68 -4.37 120.40 109.04 2bup s VAL 146 Ca 0.38 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.41 2bup s VAL 146 Cb -0.09 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2bup s VAL 146 CO 0.29 -0.52 1.30 -2.84 -0.31 0.00 0.00 175.10 173.02 2bup s PRO 147 N -3.79 2.82 0.55 4.82 0.02 -1.26 -0.37 135.00 137.78 2bup s PRO 147 Ca 0.04 2.08 0.26 0.00 0.02 0.00 0.00 61.00 63.40 2bup s PRO 147 Cb 0.04 -2.00 1.57 0.00 0.02 0.00 0.00 34.50 34.13 2bup s PRO 147 CO -0.11 -1.40 2.16 0.00 -0.33 0.00 0.00 177.00 177.32 2bup h ALA 148 N 0.91 1.48 -0.00 -1.55 0.00 -1.95 -2.06 119.26 116.09 2bup h ALA 148 Ca -0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2bup h ALA 148 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2bup h ALA 148 CO 0.55 0.08 -0.07 2.48 0.00 0.00 0.00 179.25 182.29 2bup n TYR 149 N -3.86 0.00 -1.86 0.00 0.18 -1.26 -4.88 117.16 105.48 2bup n TYR 149 Ca -0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.34 2bup n TYR 149 Cb 0.16 -0.26 -0.01 0.00 -0.38 0.00 0.00 39.34 38.84 2bup n TYR 149 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2bup s PHE 150 N -2.60 2.70 0.58 -3.48 0.40 -0.78 -5.00 117.98 109.80 2bup s PHE 150 Ca 0.26 1.14 -0.02 0.00 -0.60 0.00 0.00 56.93 57.71 2bup s PHE 150 Cb 0.20 -3.97 0.12 0.00 0.51 0.00 0.00 43.02 39.88 2bup s PHE 150 CO 0.49 -2.90 0.79 0.27 0.70 0.00 0.00 175.22 174.56 2bup n ASN 151 N 0.84 0.85 -0.28 1.36 0.23 -1.26 -4.83 115.26 112.17 2bup n ASN 151 Ca 0.02 -1.77 0.03 0.00 -0.53 0.00 0.00 54.58 52.33 2bup n ASN 151 Cb 0.39 -0.53 0.24 0.00 -2.08 0.00 0.00 39.78 37.81 2bup n ASN 151 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2bup h ASP 152 N -0.59 0.89 -0.37 0.53 3.32 -1.99 -0.64 116.42 117.57 2bup h ASP 152 Ca -0.26 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.67 2bup h ASP 152 Cb 0.91 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2bup h ASP 152 CO 0.26 0.59 -0.22 -1.28 -1.72 0.00 0.00 179.24 176.87 2bup h SER 153 N 1.02 0.83 -0.23 6.45 0.87 -1.94 0.67 113.55 121.22 2bup h SER 153 Ca 0.36 -0.42 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 2bup h SER 153 Cb 0.11 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2bup h SER 153 CO -0.12 1.07 -0.19 1.56 -0.53 0.00 0.00 176.83 178.62 2bup h GLN 154 N 0.60 0.68 -0.30 2.24 4.20 -1.65 -0.71 115.11 120.18 2bup h GLN 154 Ca 0.08 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 2bup h GLN 154 Cb 0.78 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2bup h GLN 154 CO 0.06 0.83 -0.21 0.00 -0.67 0.00 0.00 178.83 178.84 2bup h ARG 155 N 0.61 0.66 -0.60 1.46 3.08 -0.93 -1.86 114.38 116.79 2bup h ARG 155 Ca 0.09 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2bup h ARG 155 Cb 0.66 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2bup h ARG 155 CO 0.05 0.92 0.39 0.37 -1.07 0.00 0.00 179.97 180.63 2bup h GLN 156 N 0.41 0.80 -0.15 0.04 5.75 -0.67 -0.34 115.11 120.94 2bup h GLN 156 Ca 0.06 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2bup h GLN 156 Cb 0.75 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 2bup h GLN 156 CO 0.06 0.54 -0.36 0.00 -2.65 0.00 0.00 178.83 176.41 2bup h ALA 157 N 1.21 1.10 -0.23 3.38 0.00 -1.08 0.56 119.26 124.20 2bup h ALA 157 Ca 0.22 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2bup h ALA 157 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bup h ALA 157 CO -0.05 0.57 -0.12 1.15 0.00 0.00 0.00 179.25 180.81 2bup h THR 158 N 0.27 1.30 -0.65 0.00 2.02 -0.93 -1.27 112.91 113.65 2bup h THR 158 Ca 0.03 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.02 2bup h THR 158 Cb 0.77 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2bup h THR 158 CO 0.06 0.37 0.43 0.50 0.37 0.00 0.00 175.52 177.24 2bup h LYS 159 N 0.20 0.86 -0.96 6.66 3.64 -0.75 -2.20 116.57 124.02 2bup h LYS 159 Ca 0.05 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2bup h LYS 159 Cb 0.62 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2bup h LYS 159 CO 0.03 0.58 0.62 -0.44 -2.27 0.00 0.00 179.45 177.98 2bup h ASP 160 N 0.88 1.00 -0.92 4.20 3.32 -0.72 -0.44 116.42 123.74 2bup h ASP 160 Ca 0.24 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2bup h ASP 160 Cb -0.09 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.19 2bup h ASP 160 CO -0.05 0.65 0.59 0.00 -1.72 0.00 0.00 179.24 178.70 2bup h ALA 161 N 1.47 1.23 -0.29 3.45 0.00 -0.63 0.12 119.26 124.61 2bup h ALA 161 Ca 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2bup h ALA 161 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bup h ALA 161 CO -0.15 0.41 0.05 0.78 0.00 0.00 0.00 179.25 180.34 2bup h GLY 162 N 1.12 0.51 1.01 0.00 0.00 -0.70 -2.53 103.07 102.48 2bup h GLY 162 Ca 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2bup h GLY 162 CO -0.14 0.31 0.59 -0.84 0.00 0.00 0.00 176.54 176.46 2bup h THR 163 N 0.30 1.25 -0.41 4.70 2.02 -0.42 -1.05 112.91 119.30 2bup h THR 163 Ca 0.09 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2bup h THR 163 Cb 0.33 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2bup h THR 163 CO 0.00 0.25 0.12 0.40 0.37 0.00 0.00 175.52 176.67 2bup h ILE 164 N 1.29 1.18 0.00 3.11 2.04 -0.91 -0.97 117.51 123.24 2bup h ILE 164 Ca 0.34 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2bup h ILE 164 Cb -0.09 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2bup h ILE 164 CO -0.07 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.30 2bup n ALA 165 N -2.47 2.55 -0.50 1.87 0.00 -0.67 -4.87 120.51 116.42 2bup n ALA 165 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2bup n ALA 165 Cb 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2bup n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bup n GLY 166 N 0.77 0.74 3.89 0.00 0.00 -0.37 -4.77 105.19 105.46 2bup n GLY 166 Ca 0.21 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2bup n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bup s LEU 167 N 0.00 4.22 -0.47 0.99 1.43 -0.49 -4.79 118.68 119.57 2bup s LEU 167 Ca 0.00 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 53.71 2bup s LEU 167 Cb 0.00 -3.49 0.09 0.00 0.03 0.00 0.00 46.19 42.81 2bup s LEU 167 CO 0.00 -0.01 0.39 0.21 0.23 0.00 0.00 176.35 177.17 2bup s ASN 168 N -2.40 6.04 -0.54 2.29 2.47 0.10 -3.83 114.94 119.07 2bup s ASN 168 Ca 0.44 -1.48 -0.28 0.00 0.42 0.00 0.00 52.86 51.96 2bup s ASN 168 Cb -0.12 -2.14 0.02 0.00 -1.45 0.00 0.00 41.25 37.56 2bup s ASN 168 CO 0.23 -0.67 1.36 -0.69 -3.72 0.00 0.00 177.10 173.61 2bup s VAL 169 N 1.58 3.86 0.19 -5.21 1.01 -1.26 -1.55 120.40 119.02 2bup s VAL 169 Ca 0.04 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 2bup s VAL 169 Cb -0.25 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 31.78 2bup s VAL 169 CO 0.05 -1.13 1.76 -0.07 0.00 0.00 0.00 175.10 175.70 2bup h LEU 170 N 12.67 0.95 -7.00 3.92 3.38 -1.22 -3.46 115.31 124.56 2bup h LEU 170 Ca -0.26 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2bup h LEU 170 Cb 1.09 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 41.38 2bup h LEU 170 CO 1.16 0.86 0.42 -0.60 0.09 0.00 0.00 178.44 180.38 2bup s ARG 171 N -5.56 0.78 -0.24 1.13 3.52 -1.26 -5.06 118.95 112.25 2bup s ARG 171 Ca -0.13 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 2bup s ARG 171 Cb 0.14 0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.87 2bup s ARG 171 CO 0.82 -0.26 0.09 0.42 -0.81 0.00 0.00 175.30 175.55 2bup s ILE 172 N -1.41 4.53 0.24 4.11 -1.09 -1.26 -2.44 121.20 123.88 2bup s ILE 172 Ca -0.04 -0.10 0.09 0.00 -2.23 0.00 0.00 60.65 58.37 2bup s ILE 172 Cb -0.00 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 2bup s ILE 172 CO 0.03 0.34 -0.16 0.27 -1.23 0.00 0.00 174.94 174.19 2bup s ILE 173 N 1.44 2.00 0.32 2.92 -4.36 -0.88 -5.00 121.20 117.65 2bup s ILE 173 Ca 0.06 -2.28 -0.28 0.00 -0.26 0.00 0.00 60.65 57.89 2bup s ILE 173 Cb -0.15 -2.17 -0.09 0.00 1.25 0.00 0.00 42.46 41.29 2bup s ILE 173 CO 0.04 -0.50 1.10 0.20 0.24 0.00 0.00 174.94 176.02 2bup s ASN 174 N -3.40 7.09 0.17 4.36 0.01 -1.26 -1.69 114.94 120.22 2bup s ASN 174 Ca 0.26 2.23 -0.15 0.00 -0.71 0.00 0.00 52.86 54.49 2bup s ASN 174 Cb -0.02 -2.62 0.12 0.00 0.41 0.00 0.00 41.25 39.15 2bup s ASN 174 CO 0.10 -0.26 1.73 -0.33 -1.51 0.00 0.00 177.10 176.83 2bup h GLU 175 N 3.43 0.23 -0.31 -0.60 5.08 -1.02 -0.17 114.58 121.22 2bup h GLU 175 Ca -0.47 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2bup h GLU 175 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2bup h GLU 175 CO 0.66 0.15 -0.01 -1.00 -1.00 0.00 0.00 179.01 177.81 2bup h PRO 176 N 0.24 0.48 -0.40 2.33 0.13 -1.93 -1.23 132.00 131.61 2bup h PRO 176 Ca 0.20 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 2bup h PRO 176 Cb 0.24 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 2bup h PRO 176 CO -0.25 0.51 -0.02 1.15 -0.23 0.00 0.00 178.00 179.16 2bup h THR 177 N 0.46 1.26 -0.82 1.56 2.02 -1.79 -1.61 112.91 114.00 2bup h THR 177 Ca 0.10 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.25 2bup h THR 177 Cb 0.31 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2bup h THR 177 CO 0.01 0.35 0.54 0.00 0.37 0.00 0.00 175.52 176.79 2bup h ALA 178 N 0.88 1.04 -0.76 6.16 0.00 -0.63 -0.55 119.26 125.39 2bup h ALA 178 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2bup h ALA 178 Cb 0.50 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2bup h ALA 178 CO 0.02 0.45 0.33 0.00 0.00 0.00 0.00 179.25 180.06 2bup h ALA 179 N 1.30 1.15 -0.46 0.00 0.00 -0.94 -1.27 119.26 119.04 2bup h ALA 179 Ca 0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2bup h ALA 179 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2bup h ALA 179 CO -0.06 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 2bup h ALA 180 N 1.27 0.92 -0.34 0.00 0.00 -0.67 -2.65 119.26 117.79 2bup h ALA 180 Ca 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2bup h ALA 180 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bup h ALA 180 CO -0.03 0.62 -0.04 0.82 0.00 0.00 0.00 179.25 180.63 2bup h ILE 181 N 0.75 1.21 -0.59 0.00 2.04 -0.63 -1.54 117.51 118.76 2bup h ILE 181 Ca 0.12 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.13 2bup h ILE 181 Cb 0.63 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2bup h ILE 181 CO 0.04 0.30 0.39 0.00 0.00 0.00 0.00 178.15 178.88 2bup h ALA 182 N 1.45 1.67 -0.30 1.87 0.00 -0.87 -0.99 119.26 122.09 2bup h ALA 182 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bup h ALA 182 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bup h ALA 182 CO 0.02 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.20 2bup n TYR 183 N -4.46 0.39 -1.48 0.00 4.01 -0.94 -4.92 117.16 109.76 2bup n TYR 183 Ca 0.07 -0.20 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 2bup n TYR 183 Cb 0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 2bup n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bup n GLY 184 N 1.14 0.94 0.00 2.72 0.00 -0.38 -4.90 105.19 104.72 2bup n GLY 184 Ca 0.14 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.76 2bup n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bup n LEU 185 N -1.24 0.00 0.03 0.99 4.77 -0.62 -2.56 117.00 118.37 2bup n LEU 185 Ca -0.11 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2bup n LEU 185 Cb 0.39 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.72 2bup n LEU 185 CO 0.16 0.00 0.44 -0.90 -1.33 0.00 0.00 177.39 175.75 2bup n ASP 186 N -0.99 0.56 -4.77 -1.43 5.75 -1.26 -4.91 116.55 109.51 2bup n ASP 186 Ca 0.20 -0.01 -0.39 0.00 -0.01 0.00 0.00 54.79 54.58 2bup n ASP 186 Cb 0.09 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2bup n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2bup s LYS 187 N -3.08 3.81 0.01 0.11 1.02 -1.06 -3.77 119.74 116.78 2bup s LYS 187 Ca 0.09 2.10 -0.30 0.00 0.02 0.00 0.00 55.97 57.87 2bup s LYS 187 Cb 0.16 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2bup s LYS 187 CO 0.70 -0.60 1.03 -1.59 -0.92 0.00 0.00 175.35 173.96 2bup s LYS 188 N -2.42 4.53 -0.04 1.68 0.00 -1.26 -4.79 119.74 117.44 2bup s LYS 188 Ca 0.60 1.49 0.05 0.00 0.00 0.00 0.00 55.97 58.11 2bup s LYS 188 Cb -0.37 -3.44 0.08 0.00 0.00 0.00 0.00 37.83 34.10 2bup s LYS 188 CO 0.46 -0.11 0.98 1.33 0.00 0.00 0.00 175.35 178.01 2bup n VAL 189 N 3.95 1.05 -2.85 1.79 0.24 -1.26 -5.03 118.33 116.22 2bup n VAL 189 Ca 0.07 -1.16 -0.10 0.00 -2.04 0.00 0.00 64.34 61.11 2bup n VAL 189 Cb 0.50 0.36 0.05 0.00 -1.47 0.00 0.00 33.84 33.28 2bup n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bup n GLY 190 N -0.66 -0.06 0.00 7.63 0.00 -1.26 -5.02 105.19 105.82 2bup n GLY 190 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bup n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bup n ALA 191 N -2.88 0.00 -1.74 4.61 0.00 -1.26 -5.15 120.51 114.09 2bup n ALA 191 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2bup n ALA 191 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 2bup n ALA 191 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2bup s GLU 192 N -2.00 3.60 0.00 0.00 -1.05 -1.26 -4.77 118.70 113.22 2bup s GLU 192 Ca 0.00 1.14 0.03 0.00 -0.15 0.00 0.00 54.97 55.99 2bup s GLU 192 Cb 0.00 -2.08 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2bup s GLU 192 CO 0.00 -0.58 -0.09 1.03 0.95 0.00 0.00 175.26 176.58 2bup s ARG 193 N -3.95 0.68 -0.21 -4.83 1.81 -0.52 -4.95 118.95 106.98 2bup s ARG 193 Ca 0.62 -0.37 -0.07 0.00 -1.72 0.00 0.00 55.73 54.20 2bup s ARG 193 Cb -0.14 -0.65 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 2bup s ARG 193 CO 0.32 0.17 0.06 -0.80 -0.68 0.00 0.00 175.30 174.38 2bup s ASN 194 N -0.37 5.35 -0.06 0.23 0.01 -1.26 -0.44 114.94 118.40 2bup s ASN 194 Ca 0.02 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 2bup s ASN 194 Cb -0.04 -1.93 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 2bup s ASN 194 CO -0.00 0.09 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.79 2bup s VAL 195 N 0.89 1.68 -0.18 1.60 1.01 0.44 -0.26 120.40 125.58 2bup s VAL 195 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2bup s VAL 195 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2bup s VAL 195 CO 0.02 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.35 2bup s LEU 196 N 0.15 3.14 -0.24 3.92 0.20 -0.16 -0.33 118.68 125.35 2bup s LEU 196 Ca -0.09 -0.22 -0.09 0.00 0.69 0.00 0.00 54.13 54.43 2bup s LEU 196 Cb -0.14 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2bup s LEU 196 CO 0.04 0.10 0.11 -0.63 -0.29 0.00 0.00 176.35 175.67 2bup s ILE 197 N 0.80 4.79 -0.36 6.68 -1.09 0.37 -0.50 121.20 131.89 2bup s ILE 197 Ca -0.01 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2bup s ILE 197 Cb -0.14 -3.23 0.08 0.00 -1.58 0.00 0.00 42.46 37.58 2bup s ILE 197 CO 0.02 0.35 0.13 0.12 -1.23 0.00 0.00 174.94 174.33 2bup s PHE 198 N 1.24 3.41 -0.29 3.97 2.19 -0.33 -1.43 117.98 126.74 2bup s PHE 198 Ca 0.06 -2.01 0.03 0.00 0.33 0.00 0.00 56.93 55.34 2bup s PHE 198 Cb -0.14 -2.68 0.08 0.00 -1.31 0.00 0.00 43.02 38.96 2bup s PHE 198 CO 0.05 -0.87 -0.03 0.34 1.83 0.00 0.00 175.22 176.54 2bup s ASP 199 N 1.59 4.54 -0.28 6.13 -1.08 0.04 -1.42 116.67 126.19 2bup s ASP 199 Ca 0.02 -1.72 0.02 0.00 -0.52 0.00 0.00 52.55 50.35 2bup s ASP 199 Cb -0.21 -1.54 0.06 0.00 -1.46 0.00 0.00 42.92 39.77 2bup s ASP 199 CO -0.02 -0.28 -0.06 -0.22 0.52 0.00 0.00 175.17 175.11 2bup s LEU 200 N 1.05 3.74 0.00 -1.34 2.96 -0.59 -0.02 118.68 124.48 2bup s LEU 200 Ca 0.00 -1.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 2bup s LEU 200 Cb -0.19 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.90 2bup s LEU 200 CO -0.07 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 2bup n GLY 201 N 4.44 2.27 0.10 7.98 0.00 -0.60 -2.08 105.19 117.29 2bup n GLY 201 Ca -0.11 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 2bup n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bup h GLY 202 N 0.00 0.19 0.00 -0.02 0.00 -1.91 0.19 103.07 101.52 2bup h GLY 202 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2bup h GLY 202 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 176.54 177.58 2bup n GLY 203 N 1.58 0.91 3.15 4.60 0.00 -1.26 -1.17 105.19 113.00 2bup n GLY 203 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2bup n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bup s THR 204 N -0.39 0.68 -0.13 2.61 -4.23 -1.05 -2.60 115.64 110.54 2bup s THR 204 Ca 0.00 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2bup s THR 204 Cb 0.00 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.44 2bup s THR 204 CO 0.00 -0.74 -0.13 0.12 -0.54 0.00 0.00 174.62 173.33 2bup s PHE 205 N -3.03 1.93 -0.09 3.99 5.36 -0.05 -1.56 117.98 124.52 2bup s PHE 205 Ca 0.07 -1.01 0.02 0.00 -0.96 0.00 0.00 56.93 55.04 2bup s PHE 205 Cb 0.01 -1.45 0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2bup s PHE 205 CO -0.03 -0.57 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.50 2bup s ASP 206 N 1.40 2.23 -0.15 6.13 1.01 0.97 -1.18 116.67 127.09 2bup s ASP 206 Ca 0.02 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 2bup s ASP 206 Cb -0.13 -1.00 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 2bup s ASP 206 CO -0.08 0.02 -0.12 -0.69 0.21 0.00 0.00 175.17 174.51 2bup s VAL 207 N 0.91 3.04 -0.02 -1.27 1.01 0.06 -0.78 120.40 123.35 2bup s VAL 207 Ca -0.09 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2bup s VAL 207 Cb -0.15 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2bup s VAL 207 CO 0.00 0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 175.06 2bup s SER 208 N 0.61 1.34 -0.20 3.32 0.01 -0.52 -0.70 113.70 117.56 2bup s SER 208 Ca -0.07 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2bup s SER 208 Cb -0.15 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 2bup s SER 208 CO 0.03 0.09 -0.06 -0.63 0.41 0.00 0.00 173.24 173.08 2bup s ILE 209 N 0.05 3.26 0.06 1.44 1.01 -0.15 -0.48 121.20 126.39 2bup s ILE 209 Ca -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.15 2bup s ILE 209 Cb -0.08 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2bup s ILE 209 CO 0.00 0.45 -0.07 -0.76 0.00 0.00 0.00 174.94 174.56 2bup s LEU 210 N 1.29 3.17 -0.13 2.97 1.43 0.55 -0.61 118.68 127.35 2bup s LEU 210 Ca 0.03 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2bup s LEU 210 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2bup s LEU 210 CO -0.03 0.22 -0.21 -0.89 0.23 0.00 0.00 176.35 175.68 2bup s THR 211 N -1.13 2.25 -0.09 5.49 2.01 -0.18 -0.42 115.64 123.58 2bup s THR 211 Ca 0.20 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.32 2bup s THR 211 Cb -0.11 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 2bup s THR 211 CO 0.12 0.54 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.74 2bup s ILE 212 N 0.64 1.92 -0.18 1.82 1.01 0.42 -1.31 121.20 125.50 2bup s ILE 212 Ca -0.11 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2bup s ILE 212 Cb -0.16 -1.66 0.06 0.00 0.01 0.00 0.00 42.46 40.71 2bup s ILE 212 CO 0.02 0.53 0.45 -0.70 0.00 0.00 0.00 174.94 175.24 2bup s GLU 213 N 0.27 0.45 -1.46 2.79 2.12 -0.76 -1.44 118.70 120.68 2bup s GLU 213 Ca -0.15 0.81 -0.06 0.00 0.36 0.00 0.00 54.97 55.93 2bup s GLU 213 Cb -0.17 0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.30 2bup s GLU 213 CO 0.07 -0.14 0.51 -0.25 -0.54 0.00 0.00 175.26 174.91 2bup n ASP 214 N 4.00 -5.25 0.00 -1.70 9.92 -1.26 -1.21 116.55 121.04 2bup n ASP 214 Ca -0.21 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.77 2bup n ASP 214 Cb 0.56 -4.28 0.00 0.00 -0.64 0.00 0.00 41.12 36.76 2bup n ASP 214 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bup n GLY 215 N -1.35 0.76 3.68 0.44 0.00 -1.25 -4.99 105.19 102.49 2bup n GLY 215 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2bup n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bup s ILE 216 N -3.20 4.96 -0.12 -0.61 1.01 -0.35 -5.03 121.20 117.86 2bup s ILE 216 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 2bup s ILE 216 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2bup s ILE 216 CO 0.00 0.48 0.15 -0.36 0.00 0.00 0.00 174.94 175.21 2bup s PHE 217 N 0.14 3.60 -0.09 3.97 0.40 -1.26 -1.82 117.98 122.91 2bup s PHE 217 Ca 0.06 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2bup s PHE 217 Cb -0.12 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.48 2bup s PHE 217 CO 0.00 0.74 -0.12 -2.00 0.70 0.00 0.00 175.22 174.54 2bup s GLU 218 N -1.04 1.80 -0.59 0.44 2.12 -0.43 -4.99 118.70 116.02 2bup s GLU 218 Ca 0.15 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 54.82 2bup s GLU 218 Cb -0.12 -1.61 0.04 0.00 0.26 0.00 0.00 34.13 32.70 2bup s GLU 218 CO 0.04 -0.10 1.03 0.08 -0.54 0.00 0.00 175.26 175.78 2bup s VAL 219 N 1.09 4.24 0.05 3.70 1.01 -1.26 -1.01 120.40 128.22 2bup s VAL 219 Ca -0.06 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 2bup s VAL 219 Cb -0.14 -4.63 -0.16 0.00 0.00 0.00 0.00 36.38 31.44 2bup s VAL 219 CO -0.02 -1.27 1.27 0.11 0.00 0.00 0.00 175.10 175.19 2bup h LYS 220 N 9.45 0.55 -2.89 2.72 1.79 -1.21 -3.48 116.57 123.51 2bup h LYS 220 Ca -0.26 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 57.79 2bup h LYS 220 Cb 1.07 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 31.67 2bup h LYS 220 CO 1.14 1.04 0.24 -1.54 -1.08 0.00 0.00 179.45 179.25 2bup s SER 221 N -6.65 -0.55 0.01 0.86 1.04 -1.15 -4.62 113.70 102.64 2bup s SER 221 Ca -0.13 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 2bup s SER 221 Cb 0.06 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2bup s SER 221 CO 0.83 -0.92 0.03 0.42 0.98 0.00 0.00 173.24 174.57 2bup s THR 222 N -3.61 0.10 0.33 2.02 -4.23 -1.26 -0.98 115.64 108.01 2bup s THR 222 Ca 0.01 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.62 2bup s THR 222 Cb -0.01 -0.31 0.01 0.00 1.34 0.00 0.00 72.50 73.53 2bup s THR 222 CO -0.12 -0.45 0.56 0.00 -0.54 0.00 0.00 174.62 174.07 2bup s ALA 223 N -1.39 0.09 0.00 3.99 0.00 0.12 -4.84 121.76 119.72 2bup s ALA 223 Ca -0.15 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2bup s ALA 223 Cb -0.09 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2bup s ALA 223 CO -0.00 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2bup n GLY 224 N -0.51 0.71 3.16 0.00 0.00 -1.26 -0.76 105.19 106.54 2bup n GLY 224 Ca -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2bup n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bup s ASP 225 N -4.00 -0.05 0.00 1.61 -1.08 -0.32 -4.99 116.67 107.83 2bup s ASP 225 Ca 0.00 0.80 0.24 0.00 -0.52 0.00 0.00 52.55 53.06 2bup s ASP 225 Cb 0.00 1.18 1.37 0.00 -1.46 0.00 0.00 42.92 44.01 2bup s ASP 225 CO 0.00 -0.24 1.78 0.35 0.52 0.00 0.00 175.17 177.57 2bup n THR 226 N 5.38 0.05 -2.40 1.71 -2.24 -1.26 -0.87 114.28 114.65 2bup n THR 226 Ca -0.07 0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2bup n THR 226 Cb 0.50 -0.64 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2bup n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bup n HIS 227 N -1.05 2.28 -3.68 4.78 8.25 -1.25 -4.48 115.22 120.07 2bup n HIS 227 Ca 0.17 -2.42 -0.19 0.00 -0.26 0.00 0.00 57.72 55.01 2bup n HIS 227 Cb 0.10 -0.27 -0.18 0.00 1.12 0.00 0.00 29.99 30.76 2bup n HIS 227 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2bup s LEU 228 N -3.60 0.21 0.00 2.41 2.96 -1.07 -5.00 118.68 114.60 2bup s LEU 228 Ca 0.41 0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 2bup s LEU 228 Cb 0.39 -0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.99 2bup s LEU 228 CO -0.02 -0.24 0.40 0.61 -1.32 0.00 0.00 176.35 175.78 2bup n GLY 229 N 5.21 1.00 0.38 7.98 0.00 -1.26 -2.25 105.19 116.25 2bup n GLY 229 Ca -0.05 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 45.16 2bup n GLY 229 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bup h GLY 230 N 0.76 0.03 1.84 -0.02 0.00 -0.05 -0.44 103.07 105.19 2bup h GLY 230 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2bup h GLY 230 CO 0.14 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.45 2bup h GLU 231 N 0.02 0.21 -0.17 4.80 5.08 -1.41 -1.36 114.58 121.75 2bup h GLU 231 Ca 0.26 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 2bup h GLU 231 Cb 1.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2bup h GLU 231 CO -0.01 0.29 -0.45 -0.44 -1.00 0.00 0.00 179.01 177.40 2bup h ASP 232 N 0.20 0.44 0.07 1.42 3.32 -1.31 -0.77 116.42 119.80 2bup h ASP 232 Ca 0.05 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 2bup h ASP 232 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2bup h ASP 232 CO 0.01 0.83 -0.46 -0.26 -1.72 0.00 0.00 179.24 177.65 2bup h PHE 233 N 0.34 0.56 -0.66 4.55 0.04 -1.34 -2.21 116.94 118.22 2bup h PHE 233 Ca 0.02 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 2bup h PHE 233 Cb 0.92 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.93 2bup h PHE 233 CO 0.03 0.84 0.15 -0.44 -0.60 0.00 0.00 178.31 178.29 2bup h ASP 234 N 0.38 1.01 -0.76 2.17 3.32 -0.95 -2.51 116.42 119.06 2bup h ASP 234 Ca 0.02 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.86 2bup h ASP 234 Cb 0.95 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 2bup h ASP 234 CO 0.08 0.98 0.49 0.78 -1.72 0.00 0.00 179.24 179.85 2bup h ASN 235 N 0.98 0.81 -0.90 6.45 -0.26 -0.81 0.95 115.58 122.80 2bup h ASN 235 Ca 0.21 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2bup h ASN 235 Cb 0.38 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 2bup h ASN 235 CO 0.00 0.57 0.49 0.03 -1.06 0.00 0.00 177.43 177.46 2bup h ARG 236 N 0.96 1.26 -0.39 0.81 2.47 -1.15 -1.40 114.38 116.94 2bup h ARG 236 Ca 0.30 -0.15 -0.13 0.00 -1.26 0.00 0.00 59.98 58.74 2bup h ARG 236 Cb -0.01 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 2bup h ARG 236 CO -0.10 0.92 -0.27 0.52 0.56 0.00 0.00 179.97 181.60 2bup h MET 237 N 1.26 0.87 -0.20 0.04 2.86 -0.95 -2.41 114.93 116.41 2bup h MET 237 Ca 0.32 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2bup h MET 237 Cb 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2bup h MET 237 CO -0.05 1.06 0.13 0.28 1.06 0.00 0.00 176.91 179.39 2bup h VAL 238 N 0.68 1.04 -0.89 -2.22 2.07 -0.47 -0.88 116.25 115.59 2bup h VAL 238 Ca 0.08 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2bup h VAL 238 Cb 0.84 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2bup h VAL 238 CO 0.07 0.05 0.57 0.78 0.02 0.00 0.00 177.57 179.06 2bup h ASN 239 N 0.26 0.95 -0.35 0.57 -0.26 -1.24 0.45 115.58 115.96 2bup h ASN 239 Ca 0.07 -0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.83 2bup h ASN 239 Cb -0.02 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 36.99 2bup h ASN 239 CO -0.02 0.65 0.17 -0.74 -1.06 0.00 0.00 177.43 176.43 2bup h HIS 240 N 1.11 0.31 0.00 1.19 2.76 -0.98 -1.93 115.15 117.61 2bup h HIS 240 Ca 0.35 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.45 2bup h HIS 240 Cb 0.01 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2bup h HIS 240 CO -0.02 0.16 -0.41 0.74 -1.30 0.00 0.00 177.93 177.10 2bup h PHE 241 N 0.35 0.00 -0.53 5.26 0.04 -0.44 -1.64 116.94 119.98 2bup h PHE 241 Ca 0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.83 2bup h PHE 241 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2bup h PHE 241 CO -0.10 0.41 -0.01 0.82 -0.60 0.00 0.00 178.31 178.83 2bup h ILE 242 N 0.00 1.26 -0.72 -0.55 2.04 -0.68 -0.31 117.51 118.56 2bup h ILE 242 Ca -0.00 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 2bup h ILE 242 Cb 1.14 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2bup h ILE 242 CO 0.05 0.40 0.19 0.00 0.00 0.00 0.00 178.15 178.79 2bup h ALA 243 N 0.94 0.99 -0.55 1.87 0.00 -1.17 -0.73 119.26 120.61 2bup h ALA 243 Ca 0.15 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2bup h ALA 243 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2bup h ALA 243 CO 0.03 0.66 -0.05 1.49 0.00 0.00 0.00 179.25 181.38 2bup h GLU 244 N 1.08 1.01 -0.40 0.00 4.81 -0.99 -1.66 114.58 118.43 2bup h GLU 244 Ca 0.23 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2bup h GLU 244 Cb 0.34 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2bup h GLU 244 CO -0.00 1.03 -0.19 0.35 -0.73 0.00 0.00 179.01 179.47 2bup h PHE 245 N 0.89 0.87 -0.62 0.92 3.04 -0.84 -1.87 116.94 119.33 2bup h PHE 245 Ca 0.15 -0.19 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 2bup h PHE 245 Cb 0.61 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2bup h PHE 245 CO 0.04 0.90 0.17 -0.22 -2.02 0.00 0.00 178.31 177.18 2bup h LYS 246 N 0.69 0.98 -0.33 1.11 3.64 -0.91 0.62 116.57 122.36 2bup h LYS 246 Ca 0.10 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2bup h LYS 246 Cb 0.69 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2bup h LYS 246 CO 0.05 0.88 0.11 0.00 -2.27 0.00 0.00 179.45 178.23 2bup h ARG 247 N 0.89 0.51 -0.16 1.90 3.08 -1.05 0.29 114.38 119.84 2bup h ARG 247 Ca 0.20 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 2bup h ARG 247 Cb 0.33 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2bup h ARG 247 CO -0.00 0.53 -0.65 0.87 -1.07 0.00 0.00 179.97 179.65 2bup h LYS 248 N 0.39 0.61 -0.01 0.04 1.79 -1.15 -3.36 116.57 114.87 2bup h LYS 248 Ca 0.11 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2bup h LYS 248 Cb 0.23 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2bup h LYS 248 CO -0.01 1.06 0.00 0.72 -1.08 0.00 0.00 179.45 180.14 2bup n HIS 249 N -3.92 0.00 -3.18 -1.35 8.25 0.19 -4.99 115.22 110.22 2bup n HIS 249 Ca -0.05 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2bup n HIS 249 Cb 0.67 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.80 2bup n HIS 249 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2bup n LYS 250 N 0.31 -4.60 -4.19 -0.41 0.00 0.10 -4.98 118.16 104.40 2bup n LYS 250 Ca 0.03 0.76 -0.17 0.00 -0.00 0.00 0.00 58.31 58.93 2bup n LYS 250 Cb 0.14 -5.59 -0.15 0.00 -0.00 0.00 0.00 35.03 29.43 2bup n LYS 250 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2bup s LYS 251 N -5.85 0.54 -0.30 -1.58 1.02 -1.24 -5.05 119.74 107.27 2bup s LYS 251 Ca 0.36 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 2bup s LYS 251 Cb -0.17 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2bup s LYS 251 CO 0.44 0.08 0.16 0.34 -0.92 0.00 0.00 175.35 175.45 2bup s ASP 252 N 0.10 5.60 0.00 2.83 2.15 -1.26 -3.62 116.67 122.47 2bup s ASP 252 Ca -0.01 -0.44 0.28 0.00 0.43 0.00 0.00 52.55 52.81 2bup s ASP 252 Cb -0.05 -2.02 0.99 0.00 -0.30 0.00 0.00 42.92 41.54 2bup s ASP 252 CO -0.00 -0.17 1.71 2.30 -0.17 0.00 0.00 175.17 178.84 2bup n ILE 253 N 5.00 0.00 -0.39 4.11 -5.35 -1.26 -4.50 119.36 116.97 2bup n ILE 253 Ca -0.14 -0.13 0.34 0.00 -0.27 0.00 0.00 62.75 62.55 2bup n ILE 253 Cb 0.50 0.26 0.67 0.00 -1.74 0.00 0.00 39.64 39.32 2bup n ILE 253 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2bup h SER 254 N 1.25 0.18 -0.16 7.28 0.02 -1.95 -0.60 113.55 119.57 2bup h SER 254 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2bup h SER 254 Cb 0.45 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2bup h SER 254 CO 0.00 -0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.06 2bup n GLU 255 N -4.38 2.03 -3.35 3.45 -0.58 -1.26 -4.73 120.64 111.82 2bup n GLU 255 Ca 0.30 -1.53 -0.45 0.00 -0.42 0.00 0.00 57.16 55.06 2bup n GLU 255 Cb 1.25 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 30.61 2bup n GLU 255 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2bup s ASN 256 N -1.74 6.10 0.27 1.62 3.84 -0.23 -4.96 114.94 119.84 2bup s ASN 256 Ca 0.34 -1.81 -0.00 0.00 0.21 0.00 0.00 52.86 51.60 2bup s ASN 256 Cb 0.20 -2.17 0.58 0.00 -0.55 0.00 0.00 41.25 39.30 2bup s ASN 256 CO 0.30 -0.83 1.74 0.11 -2.79 0.00 0.00 177.10 175.63 2bup h LYS 257 N 8.81 0.53 -0.36 0.43 1.57 -1.84 -1.35 116.57 124.35 2bup h LYS 257 Ca -0.28 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.34 2bup h LYS 257 Cb 1.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2bup h LYS 257 CO 1.01 0.35 -0.29 -0.09 -0.57 0.00 0.00 179.45 179.86 2bup h ARG 258 N 0.54 0.76 -0.18 3.15 2.43 -1.93 -1.15 114.38 118.01 2bup h ARG 258 Ca 0.48 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2bup h ARG 258 Cb 0.76 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2bup h ARG 258 CO -0.41 0.96 0.04 0.00 -1.51 0.00 0.00 179.97 179.04 2bup h ALA 259 N 1.02 0.23 -0.92 2.80 0.00 -1.56 -0.82 119.26 120.02 2bup h ALA 259 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bup h ALA 259 Cb 0.81 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2bup h ALA 259 CO 0.07 -0.11 0.56 0.28 0.00 0.00 0.00 179.25 180.04 2bup h VAL 260 N 0.09 1.25 -0.24 0.00 2.07 -1.21 -0.67 116.25 117.54 2bup h VAL 260 Ca 0.05 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2bup h VAL 260 Cb 0.28 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2bup h VAL 260 CO 0.00 0.26 0.08 -0.09 0.02 0.00 0.00 177.57 177.84 2bup h ARG 261 N 1.26 0.38 -0.58 1.57 9.65 -0.92 0.13 114.38 125.86 2bup h ARG 261 Ca 0.33 -0.08 -0.05 0.00 -1.10 0.00 0.00 59.98 59.08 2bup h ARG 261 Cb -0.07 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 2bup h ARG 261 CO -0.06 0.46 0.17 0.00 2.80 0.00 0.00 179.97 183.33 2bup h ARG 262 N 0.23 0.88 -0.45 0.20 3.08 -0.88 -0.21 114.38 117.23 2bup h ARG 262 Ca 0.08 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 2bup h ARG 262 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2bup h ARG 262 CO -0.00 0.77 0.05 1.25 -1.07 0.00 0.00 179.97 180.96 2bup h LEU 263 N 0.86 0.74 -0.69 3.04 5.85 -0.85 -1.91 115.31 122.35 2bup h LEU 263 Ca 0.19 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2bup h LEU 263 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2bup h LEU 263 CO -0.01 0.84 0.36 -0.09 -0.34 0.00 0.00 178.44 179.20 2bup h ARG 264 N 0.63 0.98 -0.59 1.25 2.43 -0.17 0.51 114.38 119.42 2bup h ARG 264 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bup h ARG 264 Cb 0.43 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2bup h ARG 264 CO 0.01 0.75 0.31 1.15 -1.51 0.00 0.00 179.97 180.69 2bup h THR 265 N 0.96 1.20 -0.09 0.20 2.02 -0.94 0.58 112.91 116.82 2bup h THR 265 Ca 0.24 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 2bup h THR 265 Cb 0.07 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2bup h THR 265 CO -0.04 0.21 -0.35 0.00 0.37 0.00 0.00 175.52 175.72 2bup h ALA 266 N 1.14 1.24 -0.28 6.16 0.00 -0.87 -1.84 119.26 124.81 2bup h ALA 266 Ca 0.21 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2bup h ALA 266 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bup h ALA 266 CO -0.03 0.52 -0.51 0.00 0.00 0.00 0.00 179.25 179.23 2bup h GLU 268 N 0.62 1.02 -0.46 0.00 4.22 -0.67 0.17 114.58 119.47 2bup h GLU 268 Ca 0.02 -0.23 -0.05 0.00 0.08 0.00 0.00 59.36 59.17 2bup h GLU 268 Cb 1.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2bup h GLU 268 CO 0.12 0.90 0.08 -0.09 -2.18 0.00 0.00 179.01 177.84 2bup h ARG 269 N 0.94 0.77 -0.77 1.92 2.43 -1.29 -2.27 114.38 116.11 2bup h ARG 269 Ca 0.21 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2bup h ARG 269 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2bup h ARG 269 CO -0.00 0.78 0.27 0.00 -1.51 0.00 0.00 179.97 179.51 2bup h ALA 270 N 0.95 1.00 -0.49 2.80 0.00 -0.78 -2.36 119.26 120.38 2bup h ALA 270 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2bup h ALA 270 Cb 0.39 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2bup h ALA 270 CO 0.01 0.66 0.24 -0.22 0.00 0.00 0.00 179.25 179.95 2bup h LYS 271 N 1.13 0.47 -0.76 0.00 3.64 -0.40 -1.31 116.57 119.33 2bup h LYS 271 Ca 0.25 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2bup h LYS 271 Cb 0.27 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2bup h LYS 271 CO -0.01 0.31 0.46 0.00 -2.27 0.00 0.00 179.45 177.93 2bup h ARG 272 N 0.48 1.03 -0.81 1.90 3.08 -1.05 -1.80 114.38 117.21 2bup h ARG 272 Ca 0.22 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2bup h ARG 272 Cb 0.13 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2bup h ARG 272 CO -0.16 0.73 0.54 1.15 -1.07 0.00 0.00 179.97 181.16 2bup h THR 273 N 1.04 1.21 0.00 2.04 2.02 -0.92 -2.17 112.91 116.13 2bup h THR 273 Ca 0.27 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2bup h THR 273 Cb -0.04 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2bup h THR 273 CO -0.05 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.22 2bup n LEU 274 N -4.41 0.00 0.10 2.58 4.77 -0.54 -1.29 117.00 118.21 2bup n LEU 274 Ca 0.09 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 2bup n LEU 274 Cb 0.03 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 40.97 2bup n LEU 274 CO 0.36 -0.35 0.74 -1.20 -1.33 0.00 0.00 177.39 175.62 2bup n SER 275 N -1.49 0.81 0.00 -1.43 7.64 -0.81 -4.07 113.62 114.27 2bup n SER 275 Ca 0.02 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2bup n SER 275 Cb 0.09 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2bup n SER 275 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2bup n SER 276 N -2.25 0.09 -4.11 6.43 3.41 -0.56 -4.64 113.62 111.99 2bup n SER 276 Ca 0.05 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.12 2bup n SER 276 Cb 0.44 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 2bup n SER 276 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2bup s SER 277 N -0.59 0.87 0.00 4.04 0.01 -0.41 -5.06 113.70 112.55 2bup s SER 277 Ca 0.00 -0.86 0.28 0.00 1.31 0.00 0.00 55.95 56.68 2bup s SER 277 Cb 0.00 0.10 1.16 0.00 0.21 0.00 0.00 66.02 67.49 2bup s SER 277 CO 0.00 -0.42 1.80 0.35 0.41 0.00 0.00 173.24 175.38 2bup n THR 278 N 0.46 0.02 -3.68 1.44 -2.24 -1.26 -4.16 114.28 104.86 2bup n THR 278 Ca -0.16 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 2bup n THR 278 Cb 0.59 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 2bup n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bup s GLN 279 N -1.98 0.91 -0.05 -0.78 0.00 -1.26 -0.76 119.66 115.73 2bup s GLN 279 Ca 0.39 -0.40 -0.08 0.00 -0.00 0.00 0.00 55.36 55.27 2bup s GLN 279 Cb 0.21 0.40 0.01 0.00 0.00 0.00 0.00 33.01 33.63 2bup s GLN 279 CO 0.33 -0.31 0.19 0.00 0.00 0.00 0.00 175.29 175.51 2bup s ALA 280 N -2.52 -0.48 -0.02 2.60 0.00 -0.36 -4.76 121.76 116.22 2bup s ALA 280 Ca -0.05 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.18 2bup s ALA 280 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2bup s ALA 280 CO -0.03 -0.15 0.22 -1.12 0.00 0.00 0.00 175.76 174.68 2bup s SER 281 N -0.52 6.43 -0.19 0.00 0.01 -1.26 -1.28 113.70 116.88 2bup s SER 281 Ca -0.06 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.68 2bup s SER 281 Cb -0.04 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.17 2bup s SER 281 CO 0.01 0.28 -0.17 -0.63 0.41 0.00 0.00 173.24 173.14 2bup s ILE 282 N -1.27 2.02 -0.23 1.44 1.09 -0.15 -4.87 121.20 119.23 2bup s ILE 282 Ca 0.26 -1.06 -0.02 0.00 -1.10 0.00 0.00 60.65 58.73 2bup s ILE 282 Cb -0.13 -1.90 0.07 0.00 -1.06 0.00 0.00 42.46 39.44 2bup s ILE 282 CO 0.16 0.40 0.04 -1.61 -0.10 0.00 0.00 174.94 173.83 2bup s GLU 283 N 1.27 0.82 -0.17 2.79 2.02 -1.26 -0.14 118.70 124.03 2bup s GLU 283 Ca 0.02 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.34 2bup s GLU 283 Cb -0.15 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.96 2bup s GLU 283 CO -0.11 -0.72 -0.19 0.42 0.02 0.00 0.00 175.26 174.68 2bup s ILE 284 N 1.73 1.96 0.19 -1.63 1.01 0.34 -4.99 121.20 119.80 2bup s ILE 284 Ca 0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 2bup s ILE 284 Cb -0.17 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.44 2bup s ILE 284 CO -0.12 0.52 0.97 -1.81 0.00 0.00 0.00 174.94 174.50 2bup s ASP 285 N 1.30 7.55 -1.19 3.58 1.01 -1.26 -0.23 116.67 127.42 2bup s ASP 285 Ca 0.04 1.92 -0.32 0.00 0.71 0.00 0.00 52.55 54.90 2bup s ASP 285 Cb -0.13 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.23 2bup s ASP 285 CO -0.12 0.03 0.71 -1.20 0.21 0.00 0.00 175.17 174.80 2bup n SER 286 N 2.01 -4.41 -0.16 0.27 7.64 -1.24 -4.87 113.62 112.86 2bup n SER 286 Ca -0.00 -1.24 -0.10 0.00 1.01 0.00 0.00 58.87 58.53 2bup n SER 286 Cb 0.48 -2.02 -0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2bup n SER 286 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2bup h LEU 287 N -2.47 0.87 -7.17 -3.43 5.85 -1.11 -3.43 115.31 104.42 2bup h LEU 287 Ca -0.70 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 57.58 2bup h LEU 287 Cb 1.40 -0.24 -0.26 0.00 0.37 0.00 0.00 40.66 41.93 2bup h LEU 287 CO 0.51 1.00 -0.29 -0.47 -0.34 0.00 0.00 178.44 178.85 2bup s TYR 288 N -4.90 -0.71 -1.63 1.25 5.04 -1.23 -4.54 117.35 110.63 2bup s TYR 288 Ca -0.12 1.44 -0.14 0.00 -2.44 0.00 0.00 57.07 55.81 2bup s TYR 288 Cb 0.11 0.32 0.12 0.00 0.35 0.00 0.00 41.96 42.86 2bup s TYR 288 CO 0.83 -0.40 0.74 0.39 -1.34 0.00 0.00 175.55 175.76 2bup n GLU 289 N 4.63 -3.47 -0.93 4.97 1.02 -1.26 -1.02 120.64 124.57 2bup n GLU 289 Ca -0.18 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2bup n GLU 289 Cb 0.54 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 2bup n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bup n GLY 290 N -1.55 0.70 3.66 0.62 0.00 -1.26 -5.00 105.19 102.35 2bup n GLY 290 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2bup n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bup s ILE 291 N -2.98 4.98 0.51 -0.61 1.01 -0.19 -4.49 121.20 119.42 2bup s ILE 291 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 2bup s ILE 291 Cb 0.00 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 2bup s ILE 291 CO 0.00 0.08 1.04 -1.81 0.00 0.00 0.00 174.94 174.26 2bup s ASP 292 N 1.20 6.24 -0.34 3.58 1.01 -1.26 -0.78 116.67 126.31 2bup s ASP 292 Ca 0.31 1.91 0.01 0.00 0.71 0.00 0.00 52.55 55.50 2bup s ASP 292 Cb -0.16 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.32 2bup s ASP 292 CO 0.11 -0.85 0.10 0.12 0.21 0.00 0.00 175.17 174.85 2bup s PHE 293 N -2.06 2.55 -0.23 4.23 5.36 0.68 -4.86 117.98 123.65 2bup s PHE 293 Ca 0.67 -2.33 -0.02 0.00 -0.96 0.00 0.00 56.93 54.29 2bup s PHE 293 Cb -0.16 -2.22 0.01 0.00 -0.34 0.00 0.00 43.02 40.30 2bup s PHE 293 CO 0.23 -0.89 -0.08 0.71 -1.46 0.00 0.00 175.22 173.73 2bup s TYR 294 N 1.16 2.98 0.00 10.12 1.51 -1.26 -0.50 117.35 131.36 2bup s TYR 294 Ca 0.11 -1.34 0.00 0.00 -1.01 0.00 0.00 57.07 54.83 2bup s TYR 294 Cb -0.19 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2bup s TYR 294 CO -0.16 -0.68 0.00 -2.37 -1.11 0.00 0.00 175.55 171.24 2bup n THR 295 N 4.71 0.00 -3.87 -0.71 5.66 0.80 -5.01 114.28 115.86 2bup n THR 295 Ca -0.18 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.74 2bup n THR 295 Cb 0.49 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.26 2bup n THR 295 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bup s SER 296 N 0.76 -0.12 -0.14 1.09 1.04 -1.26 -0.98 113.70 114.08 2bup s SER 296 Ca 0.00 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.48 2bup s SER 296 Cb 0.00 0.75 0.04 0.00 0.10 0.00 0.00 66.02 66.90 2bup s SER 296 CO 0.00 -1.42 0.36 -0.51 0.98 0.00 0.00 173.24 172.65 2bup s ILE 297 N -3.45 -0.00 0.44 -1.02 2.07 -0.41 -4.92 121.20 113.92 2bup s ILE 297 Ca 0.14 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.39 2bup s ILE 297 Cb -0.05 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 2bup s ILE 297 CO 0.09 0.01 0.68 0.42 -1.91 0.00 0.00 174.94 174.23 2bup s THR 298 N 0.38 4.41 0.17 4.00 -4.23 -1.26 -1.23 115.64 117.88 2bup s THR 298 Ca -0.02 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.06 2bup s THR 298 Cb -0.04 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.22 2bup s THR 298 CO -0.01 -0.49 1.67 -0.09 -0.54 0.00 0.00 174.62 175.16 2bup h ARG 299 N 0.41 0.93 -0.73 3.99 2.43 -1.25 -1.78 114.38 118.38 2bup h ARG 299 Ca -0.47 -0.23 0.07 0.00 -0.81 0.00 0.00 59.98 58.54 2bup h ARG 299 Cb 1.24 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 2bup h ARG 299 CO 0.59 0.87 0.41 0.00 -1.51 0.00 0.00 179.97 180.33 2bup h ALA 300 N 1.02 1.00 -0.39 2.80 0.00 -1.95 0.81 119.26 122.55 2bup h ALA 300 Ca 0.18 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2bup h ALA 300 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bup h ALA 300 CO 0.00 0.09 -0.34 -0.09 0.00 0.00 0.00 179.25 178.92 2bup h ARG 301 N 0.75 0.92 -0.78 0.00 9.65 -1.89 -1.26 114.38 121.76 2bup h ARG 301 Ca 0.33 -0.47 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2bup h ARG 301 Cb 0.23 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 2bup h ARG 301 CO -0.20 1.12 0.51 0.35 2.80 0.00 0.00 179.97 184.55 2bup h PHE 302 N 0.74 0.96 -0.52 2.20 3.57 -0.79 0.68 116.94 123.78 2bup h PHE 302 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2bup h PHE 302 Cb 0.93 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2bup h PHE 302 CO 0.06 0.58 -0.03 0.93 -2.23 0.00 0.00 178.31 177.62 2bup h GLU 303 N 1.02 0.95 -0.60 1.11 5.08 -0.67 -2.76 114.58 118.70 2bup h GLU 303 Ca 0.30 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2bup h GLU 303 Cb -0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2bup h GLU 303 CO -0.08 0.98 0.14 1.49 -1.00 0.00 0.00 179.01 180.53 2bup h GLU 304 N 0.82 0.98 -0.03 2.33 4.81 -0.56 0.13 114.58 123.06 2bup h GLU 304 Ca 0.14 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2bup h GLU 304 Cb 0.57 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2bup h GLU 304 CO 0.03 0.90 0.03 -0.07 -0.73 0.00 0.00 179.01 179.17 2bup h LEU 305 N 0.89 0.00 -2.99 1.64 3.38 -0.75 -2.66 115.31 114.81 2bup h LEU 305 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bup h LEU 305 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2bup h LEU 305 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2bup n ASN 306 N -3.88 2.38 -0.22 -0.43 4.13 -0.95 -4.84 115.26 111.45 2bup n ASN 306 Ca -0.02 -2.21 0.02 0.00 1.68 0.00 0.00 54.58 54.05 2bup n ASN 306 Cb 0.12 -0.15 0.13 0.00 -1.54 0.00 0.00 39.78 38.34 2bup n ASN 306 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bup h ALA 307 N 0.59 0.73 -0.61 5.41 0.00 -0.38 -0.59 119.26 124.40 2bup h ALA 307 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2bup h ALA 307 Cb 0.68 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2bup h ALA 307 CO 0.01 -0.36 0.08 0.38 0.00 0.00 0.00 179.25 179.37 2bup h ASP 308 N 0.19 0.99 -0.34 0.00 2.03 -1.87 -1.44 116.42 115.98 2bup h ASP 308 Ca 0.35 -0.27 -0.13 0.00 -0.73 0.00 0.00 57.03 56.25 2bup h ASP 308 Cb 0.57 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 2bup h ASP 308 CO -0.50 1.01 -0.28 -0.07 -1.03 0.00 0.00 179.24 178.37 2bup h LEU 309 N 0.94 0.89 -0.01 0.15 3.38 -1.70 -1.32 115.31 117.63 2bup h LEU 309 Ca 0.18 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bup h LEU 309 Cb 0.45 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bup h LEU 309 CO 0.02 1.11 -0.00 -0.26 0.09 0.00 0.00 178.44 179.39 2bup h PHE 310 N 0.73 0.03 -0.16 1.13 0.04 -1.02 -3.08 116.94 114.60 2bup h PHE 310 Ca 0.08 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 2bup h PHE 310 Cb 0.83 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 2bup h PHE 310 CO 0.05 0.39 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.00 2bup h ARG 311 N -0.34 0.24 0.00 1.51 2.43 -1.25 -2.12 114.38 114.85 2bup h ARG 311 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2bup h ARG 311 Cb 0.38 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2bup h ARG 311 CO 0.00 0.32 0.00 0.78 -1.51 0.00 0.00 179.97 179.56 2bup h GLY 312 N 0.61 0.00 2.00 2.80 0.00 -1.15 -2.19 103.07 105.15 2bup h GLY 312 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2bup h GLY 312 CO 0.01 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.64 2bup h THR 313 N 0.00 0.00 0.00 4.70 1.35 -1.38 -2.76 112.91 114.82 2bup h THR 313 Ca 0.00 -0.28 -0.05 0.00 -0.55 0.00 0.00 66.41 65.53 2bup h THR 313 Cb 0.22 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2bup h THR 313 CO 0.00 0.00 -0.25 -0.07 -0.25 0.00 0.00 175.52 174.95 2bup h LEU 314 N 0.00 0.00 0.17 3.87 3.38 -1.59 -3.29 115.31 117.85 2bup h LEU 314 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bup h LEU 314 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2bup h LEU 314 CO 0.00 0.25 -0.08 0.44 0.09 0.00 0.00 178.44 179.14 2bup h ASP 315 N 0.00 -0.20 -0.02 -0.43 3.32 -1.69 -1.40 116.42 116.00 2bup h ASP 315 Ca -0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2bup h ASP 315 Cb 1.06 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 2bup h ASP 315 CO 0.03 -0.11 0.01 -0.65 -1.72 0.00 0.00 179.24 176.80 2bup h PRO 316 N -0.27 0.03 -0.19 3.56 0.11 -1.74 -0.18 132.00 133.33 2bup h PRO 316 Ca -0.02 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2bup h PRO 316 Cb 0.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2bup h PRO 316 CO 0.04 0.03 0.04 0.28 -0.21 0.00 0.00 178.00 178.18 2bup h VAL 317 N 0.04 1.21 -0.67 3.15 2.07 -1.50 0.88 116.25 121.43 2bup h VAL 317 Ca 0.01 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2bup h VAL 317 Cb 0.00 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2bup h VAL 317 CO -0.00 0.21 0.28 -0.33 0.02 0.00 0.00 177.57 177.75 2bup h GLU 318 N 0.12 1.00 -0.37 1.57 5.08 -0.57 -1.83 114.58 119.59 2bup h GLU 318 Ca 0.06 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2bup h GLU 318 Cb 0.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2bup h GLU 318 CO 0.00 0.82 0.07 -0.22 -1.00 0.00 0.00 179.01 178.69 2bup h LYS 319 N 0.95 0.60 -0.91 2.33 3.64 -0.91 -1.08 116.57 121.18 2bup h LYS 319 Ca 0.23 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2bup h LYS 319 Cb 0.19 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 2bup h LYS 319 CO -0.02 0.66 0.60 0.00 -2.27 0.00 0.00 179.45 178.41 2bup h ALA 320 N 0.92 1.20 -0.41 5.00 0.00 -0.67 0.19 119.26 125.49 2bup h ALA 320 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bup h ALA 320 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bup h ALA 320 CO 0.00 0.48 0.16 -0.07 0.00 0.00 0.00 179.25 179.82 2bup h LEU 321 N 1.17 0.56 -0.08 0.00 3.38 -1.08 -0.91 115.31 118.35 2bup h LEU 321 Ca 0.36 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bup h LEU 321 Cb -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2bup h LEU 321 CO -0.11 0.58 0.05 -0.09 0.09 0.00 0.00 178.44 178.96 2bup h ARG 322 N 0.51 0.10 0.00 1.13 2.43 -0.45 -1.37 114.38 116.74 2bup h ARG 322 Ca 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2bup h ARG 322 Cb 0.20 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2bup h ARG 322 CO -0.01 0.07 -0.16 -0.44 -1.51 0.00 0.00 179.97 177.92 2bup h ASP 323 N 0.10 0.00 0.27 -3.80 3.32 -0.48 -1.18 116.42 114.66 2bup h ASP 323 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2bup h ASP 323 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2bup h ASP 323 CO -0.01 0.16 -0.12 0.00 -1.72 0.00 0.00 179.24 177.56 2bup n ALA 324 N -2.40 2.79 -3.57 3.45 0.00 -0.36 -4.87 120.51 115.55 2bup n ALA 324 Ca -0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2bup n ALA 324 Cb 0.25 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.49 2bup n ALA 324 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bup n LYS 325 N -0.77 -7.51 -4.46 0.00 4.01 -0.45 -5.01 118.16 103.97 2bup n LYS 325 Ca 0.15 0.83 -0.21 0.00 -0.51 0.00 0.00 58.31 58.56 2bup n LYS 325 Cb 0.29 -5.86 -0.14 0.00 -0.51 0.00 0.00 35.03 28.81 2bup n LYS 325 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2bup s LEU 326 N -7.05 2.14 0.42 -0.35 1.43 -0.73 -5.05 118.68 109.49 2bup s LEU 326 Ca 0.42 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 2bup s LEU 326 Cb -0.19 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2bup s LEU 326 CO 0.73 0.08 0.73 -0.62 0.23 0.00 0.00 176.35 177.51 2bup s ASP 327 N -0.96 6.35 0.54 2.29 -1.08 -1.26 -4.40 116.67 118.16 2bup s ASP 327 Ca 0.03 0.90 0.23 0.00 -0.52 0.00 0.00 52.55 53.20 2bup s ASP 327 Cb -0.07 -2.23 1.44 0.00 -1.46 0.00 0.00 42.92 40.59 2bup s ASP 327 CO 0.01 -0.46 2.08 0.07 0.52 0.00 0.00 175.17 177.39 2bup h LYS 328 N 0.72 0.00 0.00 4.34 2.10 -1.98 -0.94 116.57 120.81 2bup h LYS 328 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2bup h LYS 328 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2bup h LYS 328 CO 0.63 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.95 2bup n SER 329 N -4.26 0.39 -0.45 7.07 3.41 -1.26 -2.59 113.62 115.93 2bup n SER 329 Ca 0.03 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 2bup n SER 329 Cb 0.35 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 64.15 2bup n SER 329 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bup n GLN 330 N -1.93 1.58 -2.90 4.33 6.02 -0.36 -4.83 117.38 119.30 2bup n GLN 330 Ca 0.03 -0.90 -0.42 0.00 -0.01 0.00 0.00 57.00 55.70 2bup n GLN 330 Cb 0.20 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 2bup n GLN 330 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bup s ILE 331 N -2.04 4.86 0.06 5.09 -1.09 -1.07 -4.47 121.20 122.55 2bup s ILE 331 Ca 0.37 1.57 -0.00 0.00 -2.23 0.00 0.00 60.65 60.36 2bup s ILE 331 Cb 0.21 -4.12 -0.26 0.00 -1.58 0.00 0.00 42.46 36.71 2bup s ILE 331 CO 0.35 -0.03 1.06 0.45 -1.23 0.00 0.00 174.94 175.54 2bup h HIS 332 N 7.54 0.34 -3.46 3.97 3.86 -0.95 -3.47 115.15 122.97 2bup h HIS 332 Ca -0.26 -0.25 -0.18 0.00 -1.16 0.00 0.00 60.37 58.52 2bup h HIS 332 Cb 1.11 -0.01 -0.25 0.00 1.06 0.00 0.00 27.41 29.31 2bup h HIS 332 CO 0.74 1.23 -0.56 -0.51 0.86 0.00 0.00 177.93 179.69 2bup s ASP 333 N -6.93 -0.08 -0.15 2.45 1.11 -1.19 -5.05 116.67 106.83 2bup s ASP 333 Ca -0.04 0.13 -0.00 0.00 0.18 0.00 0.00 52.55 52.82 2bup s ASP 333 Cb 0.08 0.25 -0.01 0.00 1.07 0.00 0.00 42.92 44.31 2bup s ASP 333 CO 0.86 -0.12 -0.14 -0.63 1.18 0.00 0.00 175.17 176.32 2bup s ILE 334 N -0.29 2.87 -0.14 0.77 1.01 -1.26 -0.99 121.20 123.16 2bup s ILE 334 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2bup s ILE 334 Cb -0.03 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.23 2bup s ILE 334 CO 0.00 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 2bup s VAL 335 N 0.63 2.47 -0.06 2.92 1.01 0.34 -0.83 120.40 126.88 2bup s VAL 335 Ca -0.08 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 2bup s VAL 335 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2bup s VAL 335 CO 0.03 0.53 0.66 -0.76 0.00 0.00 0.00 175.10 175.55 2bup s LEU 336 N 0.73 4.33 0.05 3.92 1.43 -0.80 -1.18 118.68 127.16 2bup s LEU 336 Ca -0.08 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2bup s LEU 336 Cb -0.16 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2bup s LEU 336 CO 0.01 -0.07 -0.07 -0.69 0.23 0.00 0.00 176.35 175.76 2bup s VAL 337 N 0.63 0.55 0.00 -1.59 1.01 -0.51 -4.56 120.40 115.93 2bup s VAL 337 Ca 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2bup s VAL 337 Cb -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2bup s VAL 337 CO 0.17 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.42 2bup n GLY 338 N 1.22 0.33 0.35 4.51 0.00 -0.39 -1.54 105.19 109.67 2bup n GLY 338 Ca -0.21 -1.35 0.15 0.00 0.00 0.00 0.00 46.02 44.60 2bup n GLY 338 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bup h GLY 339 N 0.00 0.19 2.00 -0.02 0.00 -1.79 -1.79 103.07 101.66 2bup h GLY 339 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2bup h GLY 339 CO 0.00 0.03 0.00 1.76 0.00 0.00 0.00 176.54 178.33 2bup h SER 340 N 0.14 0.00 0.00 0.19 0.02 -1.62 -2.52 113.55 109.76 2bup h SER 340 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2bup h SER 340 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2bup h SER 340 CO -0.03 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.01 2bup n THR 341 N -2.72 0.00 0.72 -2.27 -2.24 -0.67 -2.20 114.28 104.90 2bup n THR 341 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2bup n THR 341 Cb 0.22 -0.61 0.47 0.00 -2.10 0.00 0.00 70.33 68.30 2bup n THR 341 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bup n ARG 342 N -0.98 0.18 -1.97 -0.78 1.74 -0.95 -4.63 116.66 109.26 2bup n ARG 342 Ca 0.17 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 2bup n ARG 342 Cb 0.08 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 2bup n ARG 342 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bup s ILE 343 N -3.08 3.52 0.27 0.55 1.01 -0.93 -4.83 121.20 117.72 2bup s ILE 343 Ca 0.11 0.63 -0.00 0.00 0.00 0.00 0.00 60.65 61.39 2bup s ILE 343 Cb 0.14 -3.42 0.25 0.00 0.01 0.00 0.00 42.46 39.44 2bup s ILE 343 CO 0.56 -0.07 1.77 -0.65 0.00 0.00 0.00 174.94 176.56 2bup h PRO 344 N 9.80 0.66 -0.46 2.79 0.11 -1.87 -1.84 132.00 141.19 2bup h PRO 344 Ca -0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2bup h PRO 344 Cb 1.18 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2bup h PRO 344 CO 0.96 0.44 0.14 -0.22 -0.21 0.00 0.00 178.00 179.11 2bup h LYS 345 N 0.68 0.67 -0.48 1.05 1.63 -1.97 -0.27 116.57 117.88 2bup h LYS 345 Ca 0.48 -0.11 -0.13 0.00 -0.85 0.00 0.00 60.65 60.04 2bup h LYS 345 Cb 0.65 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2bup h LYS 345 CO -0.35 0.59 -0.22 0.82 -3.45 0.00 0.00 179.45 176.84 2bup h ILE 346 N 0.66 1.27 -0.67 2.00 1.08 -1.71 -1.15 117.51 118.99 2bup h ILE 346 Ca 0.15 -1.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.17 2bup h ILE 346 Cb 0.20 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 2bup h ILE 346 CO -0.01 0.48 0.12 1.56 -0.69 0.00 0.00 178.15 179.61 2bup h GLN 347 N 0.86 1.10 -0.27 2.37 4.20 -0.97 -1.92 115.11 120.47 2bup h GLN 347 Ca 0.11 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2bup h GLN 347 Cb 0.79 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2bup h GLN 347 CO 0.07 1.01 0.13 -0.22 -0.67 0.00 0.00 178.83 179.14 2bup h LYS 348 N 1.03 0.39 -0.58 1.46 3.64 -0.85 -0.19 116.57 121.47 2bup h LYS 348 Ca 0.20 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2bup h LYS 348 Cb 0.43 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2bup h LYS 348 CO 0.01 0.38 0.33 -0.07 -2.27 0.00 0.00 179.45 177.83 2bup h LEU 349 N 0.31 0.50 -0.24 5.20 3.38 -1.02 0.12 115.31 123.57 2bup h LEU 349 Ca 0.09 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2bup h LEU 349 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bup h LEU 349 CO -0.01 0.35 -0.47 0.25 0.09 0.00 0.00 178.44 178.64 2bup h LEU 350 N 0.63 0.83 -0.58 1.67 5.85 -1.20 -0.68 115.31 121.84 2bup h LEU 350 Ca 0.25 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 2bup h LEU 350 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2bup h LEU 350 CO -0.14 1.22 0.06 -0.61 -0.34 0.00 0.00 178.44 178.63 2bup h GLN 351 N 0.47 0.98 -0.43 1.25 4.15 -0.83 -1.15 115.11 119.55 2bup h GLN 351 Ca 0.01 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 2bup h GLN 351 Cb 1.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 2bup h GLN 351 CO 0.11 0.95 0.18 -0.44 -1.93 0.00 0.00 178.83 177.70 2bup h ASP 352 N 0.88 0.59 -0.83 -0.69 3.32 -0.68 0.28 116.42 119.28 2bup h ASP 352 Ca 0.17 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.14 2bup h ASP 352 Cb 0.47 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 2bup h ASP 352 CO 0.02 0.58 0.54 0.15 -1.72 0.00 0.00 179.24 178.81 2bup h PHE 353 N 0.55 0.91 -0.42 4.55 3.57 -0.83 -0.28 116.94 124.99 2bup h PHE 353 Ca 0.15 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2bup h PHE 353 Cb 0.17 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 2bup h PHE 353 CO -0.00 0.46 0.13 1.19 -2.23 0.00 0.00 178.31 177.85 2bup n PHE 354 N -4.50 1.42 -3.94 0.41 3.72 -0.46 -4.91 117.46 109.19 2bup n PHE 354 Ca 0.13 -0.72 -0.31 0.00 -0.05 0.00 0.00 57.45 56.51 2bup n PHE 354 Cb 0.25 -0.45 0.02 0.00 -0.94 0.00 0.00 39.48 38.36 2bup n PHE 354 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2bup n ASN 355 N 0.09 -4.66 0.00 4.37 3.02 -0.12 -2.44 115.26 115.52 2bup n ASN 355 Ca 0.23 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 2bup n ASN 355 Cb 0.94 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 2bup n ASN 355 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bup n GLY 356 N -1.67 0.72 3.73 7.41 0.00 -0.00 -5.02 105.19 110.36 2bup n GLY 356 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2bup n GLY 356 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bup n LYS 357 N -2.05 2.51 -2.32 1.61 4.81 -1.02 -4.94 118.16 116.75 2bup n LYS 357 Ca 0.00 0.89 -0.34 0.00 -0.87 0.00 0.00 58.31 57.99 2bup n LYS 357 Cb 0.00 -2.62 -0.01 0.00 0.02 0.00 0.00 35.03 32.42 2bup n LYS 357 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2bup s GLU 358 N -0.93 3.51 -0.01 1.64 0.41 -1.26 -4.77 118.70 117.29 2bup s GLU 358 Ca 0.62 1.43 -0.01 0.00 -0.41 0.00 0.00 54.97 56.60 2bup s GLU 358 Cb -0.53 -2.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.74 2bup s GLU 358 CO 0.53 -0.68 0.09 -0.51 -0.49 0.00 0.00 175.26 174.20 2bup s LEU 359 N -3.83 3.95 -0.48 1.80 1.43 -1.26 -4.60 118.68 115.70 2bup s LEU 359 Ca 0.69 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.71 2bup s LEU 359 Cb -0.19 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.78 2bup s LEU 359 CO 0.26 0.28 0.96 0.20 0.23 0.00 0.00 176.35 178.28 2bup s ASN 360 N -1.68 6.49 0.00 2.29 0.02 -0.01 -4.79 114.94 117.26 2bup s ASN 360 Ca 0.22 0.10 0.00 0.00 -1.02 0.00 0.00 52.86 52.16 2bup s ASN 360 Cb -0.12 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.69 2bup s ASN 360 CO 0.13 -1.10 0.83 2.29 0.02 0.00 0.00 177.10 179.27 2bup n LYS 361 N 7.31 0.00 0.18 -0.60 2.85 -1.26 -1.90 118.16 124.74 2bup n LYS 361 Ca 0.06 -0.72 0.06 0.00 -1.05 0.00 0.00 58.31 56.66 2bup n LYS 361 Cb 0.48 -0.37 0.28 0.00 -0.65 0.00 0.00 35.03 34.77 2bup n LYS 361 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2bup h SER 362 N 0.00 0.00 -3.43 -5.58 4.64 -1.96 -3.42 113.55 103.79 2bup h SER 362 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2bup h SER 362 Cb 1.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.26 2bup h SER 362 CO 0.00 0.38 -0.17 -0.63 -0.87 0.00 0.00 176.83 175.54 2bup s ILE 363 N -3.43 5.19 -0.45 0.95 1.01 -1.26 -4.98 121.20 118.23 2bup s ILE 363 Ca 0.01 0.78 -0.45 0.00 0.00 0.00 0.00 60.65 61.00 2bup s ILE 363 Cb 0.10 -3.76 -0.19 0.00 0.01 0.00 0.00 42.46 38.62 2bup s ILE 363 CO 0.69 0.26 1.65 0.59 0.00 0.00 0.00 174.94 178.13 2bup n ASN 364 N 4.31 1.50 -0.19 3.58 3.02 -1.26 -4.73 115.26 121.50 2bup n ASN 364 Ca -0.08 1.15 0.18 0.00 -0.03 0.00 0.00 54.58 55.80 2bup n ASN 364 Cb 0.51 -0.95 0.53 0.00 -0.61 0.00 0.00 39.78 39.26 2bup n ASN 364 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2bup h PRO 365 N 5.67 0.36 0.00 3.52 0.11 -1.83 0.20 132.00 140.02 2bup h PRO 365 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bup h PRO 365 Cb 1.36 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2bup h PRO 365 CO 0.98 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.61 2bup n ASP 366 N -4.47 0.00 -0.00 -2.05 5.75 -1.26 -1.26 116.55 113.26 2bup n ASP 366 Ca 0.16 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 2bup n ASP 366 Cb 0.62 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2bup n ASP 366 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bup n GLU 367 N -0.99 6.57 -0.07 0.11 1.02 0.63 -4.78 120.64 123.12 2bup n GLU 367 Ca 0.20 -0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.35 2bup n GLU 367 Cb 0.09 -0.54 0.35 0.00 -0.02 0.00 0.00 31.44 31.32 2bup n GLU 367 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bup h ALA 368 N 0.08 1.59 0.01 0.62 0.00 -1.32 -0.30 119.26 119.95 2bup h ALA 368 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bup h ALA 368 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bup h ALA 368 CO 0.00 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.89 2bup h VAL 369 N 0.71 1.23 -0.32 0.00 2.07 -1.86 -1.28 116.25 116.81 2bup h VAL 369 Ca 0.19 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2bup h VAL 369 Cb -0.05 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2bup h VAL 369 CO -0.04 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 2bup h ALA 370 N 0.64 1.37 0.09 1.67 0.00 -1.78 -0.54 119.26 120.71 2bup h ALA 370 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bup h ALA 370 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bup h ALA 370 CO 0.00 0.44 -0.04 -0.92 0.00 0.00 0.00 179.25 178.73 2bup h TYR 371 N 0.47 -0.12 -0.33 0.00 5.03 -0.91 0.59 116.97 121.71 2bup h TYR 371 Ca 0.10 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.32 2bup h TYR 371 Cb 0.35 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 2bup h TYR 371 CO 0.01 -0.02 -0.15 0.78 -1.32 0.00 0.00 178.16 177.46 2bup h GLY 372 N -0.19 0.63 1.14 1.82 0.00 -0.98 -2.35 103.07 103.14 2bup h GLY 372 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2bup h GLY 372 CO 0.02 0.43 0.31 0.00 0.00 0.00 0.00 176.54 177.30 2bup h ALA 373 N 1.31 1.14 -0.65 3.60 0.00 -0.67 -1.17 119.26 122.82 2bup h ALA 373 Ca 0.09 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2bup h ALA 373 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2bup h ALA 373 CO 0.04 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.04 2bup h ALA 374 N 1.26 0.85 -0.15 0.00 0.00 -0.53 0.11 119.26 120.80 2bup h ALA 374 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bup h ALA 374 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bup h ALA 374 CO -0.02 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.18 2bup h VAL 375 N 0.97 1.12 -0.53 0.00 2.07 -1.11 -2.13 116.25 116.65 2bup h VAL 375 Ca 0.20 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2bup h VAL 375 Cb 0.40 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2bup h VAL 375 CO 0.01 0.12 0.09 -0.61 0.02 0.00 0.00 177.57 177.20 2bup h GLN 376 N 0.11 0.83 -0.56 1.57 5.75 -0.99 -1.48 115.11 120.35 2bup h GLN 376 Ca 0.05 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 2bup h GLN 376 Cb 0.12 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2bup h GLN 376 CO -0.01 0.77 0.21 0.00 -2.65 0.00 0.00 178.83 177.15 2bup h ALA 377 N 1.31 1.31 -0.21 3.38 0.00 -0.60 -0.33 119.26 124.12 2bup h ALA 377 Ca 0.17 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2bup h ALA 377 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bup h ALA 377 CO 0.00 0.51 -0.56 0.00 0.00 0.00 0.00 179.25 179.20 2bup h ALA 378 N 1.42 0.61 -0.70 0.00 0.00 -0.85 -1.79 119.26 117.95 2bup h ALA 378 Ca 0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2bup h ALA 378 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2bup h ALA 378 CO -0.01 0.69 0.19 0.82 0.00 0.00 0.00 179.25 180.93 2bup h ILE 379 N 0.50 1.26 -0.00 0.00 2.04 -0.63 -2.45 117.51 118.23 2bup h ILE 379 Ca 0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2bup h ILE 379 Cb 1.13 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2bup h ILE 379 CO 0.11 0.36 -0.01 0.18 0.00 0.00 0.00 178.15 178.80 2bup n LEU 380 N -4.24 0.01 -0.53 1.44 4.77 -0.19 -5.11 117.00 113.15 2bup n LEU 380 Ca 0.05 0.41 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 2bup n LEU 380 Cb 0.25 -0.42 0.48 0.00 -2.33 0.00 0.00 43.42 41.40 2bup n LEU 380 CO 0.42 0.00 0.84 -1.20 -1.33 0.00 0.00 177.39 176.12