#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bao n PHE 1 N 0.00 1.02 -2.74 -1.40 7.35 -1.26 -5.02 117.46 115.41 3bao n PHE 1 Ca 0.00 -1.61 -0.42 0.00 -0.76 0.00 0.00 57.45 54.66 3bao n PHE 1 Cb 0.00 -0.23 -0.03 0.00 0.35 0.00 0.00 39.48 39.57 3bao n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3bao s ASN 2 N -3.18 7.13 0.03 -2.13 0.01 -1.26 -5.03 114.94 110.51 3bao s ASN 2 Ca 0.35 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 53.91 3bao s ASN 2 Cb 0.36 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 3bao s ASN 2 CO -0.06 -0.49 0.07 -0.76 -1.51 0.00 0.00 177.10 174.34 3bao s LEU 3 N 2.33 3.79 0.68 0.60 1.43 -1.26 -0.91 118.68 125.33 3bao s LEU 3 Ca 0.45 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 3bao s LEU 3 Cb -0.17 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3bao s LEU 3 CO 0.14 0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.85 3bao s PRO 4 N -1.95 2.98 0.44 1.29 0.04 -1.26 -4.58 135.00 131.97 3bao s PRO 4 Ca 0.25 1.00 0.28 0.00 0.04 0.00 0.00 61.00 62.57 3bao s PRO 4 Cb -0.12 -1.99 0.92 0.00 0.04 0.00 0.00 34.50 33.34 3bao s PRO 4 CO 0.16 -1.06 1.80 -1.00 0.04 0.00 0.00 177.00 176.94 3bao h PRO 5 N -0.54 0.00 0.00 0.56 0.13 -1.98 -3.47 132.00 126.70 3bao h PRO 5 Ca -0.44 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.35 3bao h PRO 5 Cb 1.21 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.52 3bao h PRO 5 CO 0.57 0.00 0.03 0.41 -0.23 0.00 0.00 178.00 178.78 3bao n GLY 6 N 0.52 -3.07 3.04 1.56 0.00 -1.26 -5.09 105.19 100.88 3bao n GLY 6 Ca 0.02 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 3bao n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bao n ASN 7 N -4.89 0.17 -0.67 1.61 0.23 -1.26 -5.08 115.26 105.38 3bao n ASN 7 Ca 0.13 -3.03 0.08 0.00 -0.53 0.00 0.00 54.58 51.23 3bao n ASN 7 Cb 0.52 1.29 0.21 0.00 -2.08 0.00 0.00 39.78 39.72 3bao n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3bao n TYR 8 N -0.71 0.67 -0.13 -2.53 4.01 -1.26 -4.70 117.16 112.51 3bao n TYR 8 Ca 0.02 -0.83 0.06 0.00 -0.16 0.00 0.00 57.90 56.98 3bao n TYR 8 Cb 0.56 -0.24 0.38 0.00 -0.31 0.00 0.00 39.34 39.73 3bao n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3bao h LYS 9 N 1.42 0.68 -5.01 -0.72 1.57 -1.98 -3.45 116.57 109.08 3bao h LYS 9 Ca 0.00 -0.04 -0.36 0.00 -1.87 0.00 0.00 60.65 58.38 3bao h LYS 9 Cb 1.23 -0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.24 3bao h LYS 9 CO 0.14 0.45 -0.65 0.15 -0.57 0.00 0.00 179.45 178.97 3bao s LYS 10 N -5.62 1.31 0.80 3.15 1.02 -1.26 -5.14 119.74 114.01 3bao s LYS 10 Ca -0.09 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.13 3bao s LYS 10 Cb 0.19 -0.51 0.07 0.00 -0.52 0.00 0.00 37.83 37.06 3bao s LYS 10 CO 0.76 -0.13 1.10 -1.25 -0.92 0.00 0.00 175.35 174.90 3bao s PRO 11 N -3.90 2.02 0.19 -1.68 0.04 -1.26 -4.73 135.00 125.69 3bao s PRO 11 Ca 0.29 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 3bao s PRO 11 Cb 0.06 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 3bao s PRO 11 CO 0.09 -1.82 0.27 0.15 0.04 0.00 0.00 177.00 175.73 3bao s LYS 12 N -4.87 1.26 -0.09 4.56 -0.14 0.52 -4.26 119.74 116.71 3bao s LYS 12 Ca 0.62 -1.36 -0.02 0.00 -1.36 0.00 0.00 55.97 53.86 3bao s LYS 12 Cb -0.18 0.36 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 3bao s LYS 12 CO 0.56 -0.46 -0.01 -0.51 -0.76 0.00 0.00 175.35 174.18 3bao s LEU 13 N -3.05 3.51 -0.48 3.17 1.43 0.46 -0.59 118.68 123.13 3bao s LEU 13 Ca 0.26 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 3bao s LEU 13 Cb 0.04 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.56 3bao s LEU 13 CO 0.06 0.37 0.38 -0.76 0.23 0.00 0.00 176.35 176.63 3bao s LEU 14 N -0.81 5.71 -0.21 1.79 1.43 -1.26 -0.59 118.68 124.73 3bao s LEU 14 Ca 0.12 -1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 51.33 3bao s LEU 14 Cb -0.11 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3bao s LEU 14 CO 0.02 -0.70 0.75 -0.47 0.23 0.00 0.00 176.35 176.18 3bao s TYR 15 N 1.51 3.35 -0.35 0.29 5.04 -0.21 -1.15 117.35 125.82 3bao s TYR 15 Ca 0.04 1.07 -0.21 0.00 -2.44 0.00 0.00 57.07 55.53 3bao s TYR 15 Cb -0.26 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.10 3bao s TYR 15 CO 0.03 -0.29 0.66 0.00 -1.34 0.00 0.00 175.55 174.60 3bao n SER 17 N 6.07 0.41 0.36 0.00 3.41 -0.78 -0.88 113.62 122.21 3bao n SER 17 Ca -0.01 0.66 -0.17 0.00 -0.26 0.00 0.00 58.87 59.10 3bao n SER 17 Cb 0.49 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 3bao n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3bao h ASN 18 N 0.00 -0.78 -0.00 4.04 -1.24 -1.78 -3.36 115.58 112.45 3bao h ASN 18 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3bao h ASN 18 Cb 0.10 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3bao h ASN 18 CO 0.00 -0.47 0.00 0.61 -1.29 0.00 0.00 177.43 176.28 3bao n GLY 19 N -1.06 0.17 1.95 1.57 0.00 -1.21 -4.85 105.19 101.75 3bao n GLY 19 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3bao n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bao n GLY 20 N -0.18 0.49 3.85 -0.02 0.00 -0.06 -5.02 105.19 104.25 3bao n GLY 20 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3bao n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bao s HIS 21 N -2.00 3.43 -0.07 1.61 3.76 -1.21 -4.68 115.29 116.12 3bao s HIS 21 Ca 0.00 1.16 -0.13 0.00 -0.15 0.00 0.00 55.06 55.93 3bao s HIS 21 Cb 0.00 -2.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.16 3bao s HIS 21 CO 0.00 0.18 0.34 -0.06 -0.85 0.00 0.00 174.74 174.34 3bao s PHE 22 N -1.86 3.62 0.20 1.40 0.08 0.40 -0.34 117.98 121.48 3bao s PHE 22 Ca 0.50 0.80 -0.31 0.00 0.12 0.00 0.00 56.93 58.04 3bao s PHE 22 Cb -0.11 -2.26 -0.10 0.00 -0.57 0.00 0.00 43.02 39.97 3bao s PHE 22 CO 0.19 0.52 1.56 -1.17 -0.10 0.00 0.00 175.22 176.22 3bao s LEU 23 N -0.55 4.37 -0.06 -0.37 2.96 -0.30 -1.66 118.68 123.07 3bao s LEU 23 Ca 0.20 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 56.84 3bao s LEU 23 Cb -0.15 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3bao s LEU 23 CO 0.09 -0.83 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.55 3bao s ARG 24 N 0.64 1.73 -0.36 1.98 3.52 0.47 -4.42 118.95 122.51 3bao s ARG 24 Ca 0.68 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 3bao s ARG 24 Cb -0.45 -1.44 0.07 0.00 -1.56 0.00 0.00 34.95 31.57 3bao s ARG 24 CO 0.36 0.09 0.12 0.42 -0.81 0.00 0.00 175.30 175.48 3bao s ILE 25 N 0.46 3.43 0.62 4.11 1.01 -0.82 -1.66 121.20 128.35 3bao s ILE 25 Ca -0.11 -1.51 -0.14 0.00 0.00 0.00 0.00 60.65 58.89 3bao s ILE 25 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3bao s ILE 25 CO 0.03 -0.34 1.04 0.20 0.00 0.00 0.00 174.94 175.88 3bao s ASN 26 N 1.57 5.82 0.41 3.58 0.01 -0.11 -4.82 114.94 121.40 3bao s ASN 26 Ca 0.01 1.68 0.13 0.00 -0.71 0.00 0.00 52.86 53.96 3bao s ASN 26 Cb -0.21 -2.51 0.96 0.00 0.41 0.00 0.00 41.25 39.90 3bao s ASN 26 CO -0.01 -1.14 1.93 -0.65 -1.51 0.00 0.00 177.10 175.73 3bao h PRO 27 N 0.08 0.50 0.00 -0.60 0.11 -1.98 -0.28 132.00 129.83 3bao h PRO 27 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bao h PRO 27 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3bao h PRO 27 CO 0.58 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 3bao n ASP 28 N -4.49 0.00 0.00 -2.05 5.68 -1.26 -4.87 116.55 109.56 3bao n ASP 28 Ca 0.13 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 3bao n ASP 28 Cb 0.43 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3bao n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bao n GLY 29 N 0.71 0.56 3.83 6.12 0.00 -0.12 -4.99 105.19 111.31 3bao n GLY 29 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3bao n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bao s THR 30 N -2.24 4.25 -0.06 2.61 -4.23 -1.26 -0.44 115.64 114.27 3bao s THR 30 Ca 0.00 0.98 0.04 0.00 -1.18 0.00 0.00 61.69 61.53 3bao s THR 30 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3bao s THR 30 CO 0.00 -0.71 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.51 3bao s VAL 31 N -2.70 1.48 0.00 2.29 1.01 -1.26 -0.93 120.40 120.29 3bao s VAL 31 Ca 0.60 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3bao s VAL 31 Cb -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3bao s VAL 31 CO 0.39 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 175.02 3bao n ASP 32 N 3.39 0.00 -4.06 3.32 5.75 -0.66 -4.29 116.55 120.00 3bao n ASP 32 Ca -0.20 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.51 3bao n ASP 32 Cb 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3bao n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bao s GLY 33 N 0.00 0.40 0.02 6.12 0.00 0.47 -0.39 107.32 113.94 3bao s GLY 33 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.63 3bao s GLY 33 CO 0.00 -1.13 0.10 -1.08 0.00 0.00 0.00 173.10 171.00 3bao s THR 34 N -3.20 0.11 -2.25 0.90 -1.32 -0.66 -4.82 115.64 104.40 3bao s THR 34 Ca 0.00 -0.91 0.26 0.00 -1.21 0.00 0.00 61.69 59.83 3bao s THR 34 Cb 0.03 -0.66 0.31 0.00 -1.51 0.00 0.00 72.50 70.66 3bao s THR 34 CO -0.07 -0.50 1.50 0.54 -2.21 0.00 0.00 174.62 173.87 3bao n ARG 35 N 1.10 1.41 -2.69 7.08 1.74 -1.26 -0.45 116.66 123.59 3bao n ARG 35 Ca -0.21 -0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 55.48 3bao n ARG 35 Cb 0.57 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3bao n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bao s ASP 36 N -2.25 6.42 0.28 0.55 2.15 -1.26 -4.90 116.67 117.66 3bao s ASP 36 Ca 0.29 -0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.45 3bao s ASP 36 Cb 0.20 -2.51 1.04 0.00 -0.30 0.00 0.00 42.92 41.35 3bao s ASP 36 CO 0.43 -1.36 1.69 0.54 -0.17 0.00 0.00 175.17 176.30 3bao n ARG 37 N 8.01 0.18 0.06 4.34 1.74 -1.26 -2.09 116.66 127.64 3bao n ARG 37 Ca 0.06 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.76 3bao n ARG 37 Cb 0.48 -1.90 0.32 0.00 -1.02 0.00 0.00 32.46 30.34 3bao n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bao n SER 38 N -2.24 0.61 -4.67 0.55 3.41 -1.26 -4.90 113.62 105.12 3bao n SER 38 Ca 0.01 0.26 -0.45 0.00 -0.26 0.00 0.00 58.87 58.43 3bao n SER 38 Cb 0.17 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3bao n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bao n ASP 39 N -1.99 2.78 -0.32 4.04 -0.08 -0.89 -4.88 116.55 115.21 3bao n ASP 39 Ca 0.05 1.13 0.12 0.00 -1.51 0.00 0.00 54.79 54.57 3bao n ASP 39 Cb 0.41 -1.42 0.54 0.00 2.34 0.00 0.00 41.12 42.99 3bao n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bao n GLN 40 N 2.35 1.43 -0.41 -0.67 1.13 -1.26 -3.87 117.38 116.08 3bao n GLN 40 Ca 0.13 -0.64 0.07 0.00 -1.94 0.00 0.00 57.00 54.62 3bao n GLN 40 Cb 0.30 -1.41 0.21 0.00 0.11 0.00 0.00 30.24 29.46 3bao n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bao n HIS 41 N -0.18 0.62 0.33 1.08 8.25 -1.26 -4.44 115.22 119.63 3bao n HIS 41 Ca 0.17 -1.09 0.04 0.00 -0.26 0.00 0.00 57.72 56.58 3bao n HIS 41 Cb 0.24 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 3bao n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bao n ILE 42 N -0.95 0.00 -2.56 1.59 -5.35 -1.25 -1.94 119.36 108.89 3bao n ILE 42 Ca 0.22 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 3bao n ILE 42 Cb 0.83 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.77 3bao n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bao s GLN 43 N -1.29 3.98 -0.04 6.28 1.11 -1.26 -4.44 119.66 124.00 3bao s GLN 43 Ca 0.05 1.08 0.06 0.00 0.01 0.00 0.00 55.36 56.56 3bao s GLN 43 Cb 0.06 -3.80 -0.02 0.00 -1.01 0.00 0.00 33.01 28.24 3bao s GLN 43 CO 0.22 -1.02 -0.22 -0.51 0.01 0.00 0.00 175.29 173.77 3bao s LEU 44 N 3.96 2.26 -0.27 2.90 1.43 0.24 -2.03 118.68 127.17 3bao s LEU 44 Ca 0.49 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 3bao s LEU 44 Cb -0.13 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3bao s LEU 44 CO 0.20 0.30 0.07 -1.58 0.23 0.00 0.00 176.35 175.56 3bao s GLN 45 N -0.50 3.36 0.22 1.70 2.00 0.98 -0.36 119.66 127.06 3bao s GLN 45 Ca 0.06 -0.67 -0.04 0.00 -2.00 0.00 0.00 55.36 52.71 3bao s GLN 45 Cb -0.11 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3bao s GLN 45 CO 0.01 -0.31 0.46 -0.51 -0.50 0.00 0.00 175.29 174.43 3bao s LEU 46 N 1.55 4.18 -0.01 3.68 1.02 -1.26 -0.80 118.68 127.03 3bao s LEU 46 Ca 0.05 0.62 -0.13 0.00 0.02 0.00 0.00 54.13 54.69 3bao s LEU 46 Cb -0.16 -3.39 0.02 0.00 0.02 0.00 0.00 46.19 42.68 3bao s LEU 46 CO 0.02 -0.07 0.27 -0.94 0.02 0.00 0.00 176.35 175.65 3bao s SER 47 N -2.86 -0.14 0.24 2.29 1.04 -0.82 -4.81 113.70 108.64 3bao s SER 47 Ca 0.42 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.79 3bao s SER 47 Cb -0.11 0.29 -0.07 0.00 0.10 0.00 0.00 66.02 66.23 3bao s SER 47 CO 0.27 -0.42 0.55 0.00 0.98 0.00 0.00 173.24 174.62 3bao s ALA 48 N -1.29 3.58 0.00 5.32 0.00 -1.26 -1.00 121.76 127.10 3bao s ALA 48 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3bao s ALA 48 Cb -0.06 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3bao s ALA 48 CO 0.03 0.46 0.00 -1.91 0.00 0.00 0.00 175.76 174.35 3bao n GLU 49 N -0.28 0.00 -2.17 0.00 4.07 -0.92 -4.90 120.64 116.44 3bao n GLU 49 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.84 3bao n GLU 49 Cb 0.53 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 32.00 3bao n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3bao s SER 50 N 0.33 4.46 0.20 4.31 0.01 -1.26 -4.91 113.70 116.84 3bao s SER 50 Ca 0.00 0.37 -0.32 0.00 1.31 0.00 0.00 55.95 57.31 3bao s SER 50 Cb 0.00 -0.88 -0.12 0.00 0.21 0.00 0.00 66.02 65.22 3bao s SER 50 CO 0.00 -1.84 1.68 0.52 0.41 0.00 0.00 173.24 174.01 3bao n VAL 51 N -3.09 0.04 -0.72 3.43 0.31 -1.26 -1.40 118.33 115.64 3bao n VAL 51 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3bao n VAL 51 Cb 0.60 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3bao n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bao n GLY 52 N 3.77 1.00 3.63 2.92 0.00 -1.26 -5.03 105.19 110.23 3bao n GLY 52 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3bao n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bao s GLU 53 N -0.22 2.93 0.03 1.61 2.02 -0.49 -1.35 118.70 123.24 3bao s GLU 53 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 3bao s GLU 53 Cb 0.00 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 3bao s GLU 53 CO 0.00 0.66 -0.04 0.14 0.02 0.00 0.00 175.26 176.04 3bao s VAL 54 N -0.78 0.24 0.08 2.63 -7.23 0.44 -2.16 120.40 113.62 3bao s VAL 54 Ca 0.12 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3bao s VAL 54 Cb -0.11 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 3bao s VAL 54 CO 0.02 -0.59 0.07 -0.31 -0.31 0.00 0.00 175.10 173.97 3bao s TYR 55 N -2.03 3.16 -0.23 2.82 2.02 -0.17 -1.16 117.35 121.75 3bao s TYR 55 Ca -0.09 0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.68 3bao s TYR 55 Cb -0.06 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 39.95 3bao s TYR 55 CO -0.03 0.52 -0.02 0.42 -1.57 0.00 0.00 175.55 174.87 3bao s ILE 56 N -1.37 1.30 -0.08 2.71 1.01 -1.26 -1.95 121.20 121.56 3bao s ILE 56 Ca 0.28 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3bao s ILE 56 Cb -0.12 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3bao s ILE 56 CO 0.21 -0.18 -0.11 -0.75 0.00 0.00 0.00 174.94 174.11 3bao s LYS 57 N 1.49 2.89 -0.07 2.79 2.20 0.02 -0.67 119.74 128.40 3bao s LYS 57 Ca -0.03 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 3bao s LYS 57 Cb -0.18 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 3bao s LYS 57 CO -0.08 0.50 1.40 0.45 -0.36 0.00 0.00 175.35 177.25 3bao s SER 58 N -0.38 6.86 0.41 1.43 0.15 0.43 -0.01 113.70 122.59 3bao s SER 58 Ca 0.05 1.99 0.22 0.00 0.70 0.00 0.00 55.95 58.91 3bao s SER 58 Cb -0.12 -2.55 0.68 0.00 -1.71 0.00 0.00 66.02 62.32 3bao s SER 58 CO 0.02 -0.76 1.72 0.71 1.20 0.00 0.00 173.24 176.13 3bao h THR 59 N 5.24 0.52 0.19 6.45 1.35 -1.74 -0.78 112.91 124.14 3bao h THR 59 Ca -0.34 -1.33 -0.26 0.00 -0.55 0.00 0.00 66.41 63.93 3bao h THR 59 Cb 1.15 1.93 0.03 0.00 -1.73 0.00 0.00 68.15 69.54 3bao h THR 59 CO 0.93 0.24 -1.12 -0.08 -0.25 0.00 0.00 175.52 175.25 3bao h GLU 60 N 0.00 0.43 0.00 4.72 4.57 -1.79 -3.39 114.58 119.12 3bao h GLU 60 Ca -0.00 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 3bao h GLU 60 Cb 0.91 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3bao h GLU 60 CO 0.03 1.34 -0.72 0.25 -1.18 0.00 0.00 179.01 178.73 3bao n THR 61 N -3.94 0.00 -0.99 0.32 -2.24 -1.24 -5.01 114.28 101.18 3bao n THR 61 Ca -0.15 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3bao n THR 61 Cb 0.95 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3bao n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bao n GLY 62 N 1.40 0.93 3.82 3.38 0.00 -0.30 -5.02 105.19 109.41 3bao n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3bao n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bao s GLN 63 N -0.01 3.86 -0.09 1.61 -0.21 -1.26 -4.74 119.66 118.82 3bao s GLN 63 Ca 0.00 1.15 -0.03 0.00 0.02 0.00 0.00 55.36 56.50 3bao s GLN 63 Cb 0.00 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3bao s GLN 63 CO 0.00 -0.35 0.02 0.71 -2.12 0.00 0.00 175.29 173.55 3bao s TYR 64 N -2.31 3.23 0.27 0.91 1.51 -0.01 -0.43 117.35 120.52 3bao s TYR 64 Ca 0.63 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.63 3bao s TYR 64 Cb -0.12 -1.82 -0.10 0.00 -0.11 0.00 0.00 41.96 39.81 3bao s TYR 64 CO 0.25 0.50 1.35 -1.17 -1.11 0.00 0.00 175.55 175.37 3bao s LEU 65 N -0.88 4.41 0.04 -1.29 2.96 0.16 -0.24 118.68 123.84 3bao s LEU 65 Ca 0.13 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 56.60 3bao s LEU 65 Cb -0.11 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 3bao s LEU 65 CO 0.03 -0.59 0.06 0.00 -1.32 0.00 0.00 176.35 174.53 3bao s ALA 66 N -0.41 0.04 -0.12 5.97 0.00 -0.20 -4.37 121.76 122.68 3bao s ALA 66 Ca 0.55 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3bao s ALA 66 Cb -0.40 0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3bao s ALA 66 CO 0.45 -0.31 -0.15 1.41 0.00 0.00 0.00 175.76 177.16 3bao s MET 67 N -2.71 2.22 0.89 0.00 1.75 -0.48 -0.99 119.30 119.99 3bao s MET 67 Ca -0.04 -0.56 -0.12 0.00 -1.25 0.00 0.00 55.69 53.73 3bao s MET 67 Cb -0.01 -1.92 0.20 0.00 2.84 0.00 0.00 34.83 35.94 3bao s MET 67 CO -0.05 -0.09 1.21 -0.40 -0.65 0.00 0.00 175.02 175.04 3bao n ASP 68 N 4.31 0.47 0.00 1.11 5.68 -0.31 -4.80 116.55 123.00 3bao n ASP 68 Ca -0.19 -1.67 0.07 0.00 -0.50 0.00 0.00 54.79 52.50 3bao n ASP 68 Cb 0.51 -0.89 0.32 0.00 -1.14 0.00 0.00 41.12 39.92 3bao n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bao n THR 69 N -3.52 0.86 0.93 2.12 -2.24 -1.26 -0.73 114.28 110.44 3bao n THR 69 Ca 0.16 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 3bao n THR 69 Cb 0.57 -0.98 0.18 0.00 -2.10 0.00 0.00 70.33 68.00 3bao n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bao n ASP 70 N -1.41 2.89 0.00 3.42 8.00 -1.26 -4.96 116.55 123.23 3bao n ASP 70 Ca 0.05 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3bao n ASP 70 Cb 0.14 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3bao n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bao n GLY 71 N 1.36 0.49 3.83 0.44 0.00 0.09 -4.64 105.19 106.75 3bao n GLY 71 Ca 0.16 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3bao n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bao s LEU 72 N 0.00 4.18 0.40 0.99 1.02 -1.26 0.39 118.68 124.41 3bao s LEU 72 Ca 0.00 0.38 -0.23 0.00 0.02 0.00 0.00 54.13 54.31 3bao s LEU 72 Cb 0.00 -2.01 -0.10 0.00 0.02 0.00 0.00 46.19 44.10 3bao s LEU 72 CO 0.00 0.40 0.97 -0.76 0.02 0.00 0.00 176.35 176.98 3bao s LEU 73 N -0.95 4.06 0.20 1.79 1.43 -1.26 -1.16 118.68 122.80 3bao s LEU 73 Ca 0.14 1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 54.86 3bao s LEU 73 Cb -0.12 -4.35 0.04 0.00 0.03 0.00 0.00 46.19 41.79 3bao s LEU 73 CO 0.03 -0.36 0.58 -0.72 0.23 0.00 0.00 176.35 176.12 3bao s TYR 74 N -1.93 -0.24 -0.22 0.29 1.13 -0.16 -4.53 117.35 111.69 3bao s TYR 74 Ca 0.59 -0.10 -0.16 0.00 -1.41 0.00 0.00 57.07 55.99 3bao s TYR 74 Cb -0.14 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 3bao s TYR 74 CO 0.19 -0.97 0.40 0.20 -2.51 0.00 0.00 175.55 172.86 3bao s GLY 75 N -2.85 2.02 -0.07 5.49 0.00 0.41 -1.03 107.32 111.29 3bao s GLY 75 Ca 0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 3bao s GLY 75 CO -0.03 0.89 0.12 -0.45 0.00 0.00 0.00 173.10 173.62 3bao s SER 76 N 1.22 6.06 0.51 1.64 0.15 0.67 -4.79 113.70 119.16 3bao s SER 76 Ca 0.18 0.33 0.30 0.00 0.70 0.00 0.00 55.95 57.45 3bao s SER 76 Cb -0.15 -1.87 1.16 0.00 -1.71 0.00 0.00 66.02 63.45 3bao s SER 76 CO 0.08 0.35 1.91 1.56 1.20 0.00 0.00 173.24 178.34 3bao h GLN 77 N 4.58 0.00 -5.02 5.44 1.08 -1.91 0.02 115.11 119.30 3bao h GLN 77 Ca -0.52 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.35 3bao h GLN 77 Cb 1.21 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.45 3bao h GLN 77 CO 0.61 0.08 -0.74 0.95 -0.95 0.00 0.00 178.83 178.78 3bao s THR 78 N -3.65 0.97 -0.68 -0.54 -4.23 -1.26 -4.84 115.64 101.40 3bao s THR 78 Ca 0.01 -1.58 -0.21 0.00 -1.18 0.00 0.00 61.69 58.74 3bao s THR 78 Cb 0.09 -1.30 0.09 0.00 1.34 0.00 0.00 72.50 72.73 3bao s THR 78 CO 0.58 -0.50 0.90 -2.16 -0.54 0.00 0.00 174.62 172.91 3bao s PRO 79 N -2.60 3.17 0.00 3.99 0.04 -1.26 -4.77 135.00 133.58 3bao s PRO 79 Ca 0.04 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 59.92 3bao s PRO 79 Cb -0.04 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.15 3bao s PRO 79 CO 0.01 -1.72 0.00 0.27 0.04 0.00 0.00 177.00 175.60 3bao n ASN 80 N 7.03 1.65 0.11 6.66 0.23 -1.26 -4.98 115.26 124.70 3bao n ASN 80 Ca -0.01 -0.87 0.18 0.00 -0.53 0.00 0.00 54.58 53.35 3bao n ASN 80 Cb 0.45 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.89 3bao n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3bao h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.65 114.58 113.52 3bao h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bao h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bao h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 3bao n GLU 82 N -4.12 0.36 0.00 1.06 1.02 -1.26 -3.51 120.64 114.19 3bao n GLU 82 Ca 0.05 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.31 3bao n GLU 82 Cb 0.45 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.41 3bao n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bao s LEU 84 N -1.59 4.28 0.09 0.00 1.43 -1.23 -4.45 118.68 117.21 3bao s LEU 84 Ca 0.17 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3bao s LEU 84 Cb 0.13 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 3bao s LEU 84 CO 0.27 -0.09 -0.22 -0.36 0.23 0.00 0.00 176.35 176.19 3bao s PHE 85 N 0.85 1.87 -0.42 0.29 0.40 -0.31 -1.22 117.98 119.42 3bao s PHE 85 Ca 0.32 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 3bao s PHE 85 Cb -0.16 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.33 3bao s PHE 85 CO 0.14 0.18 0.68 -0.51 0.70 0.00 0.00 175.22 176.42 3bao s LEU 86 N -1.68 4.38 -0.24 -0.37 1.43 0.12 -0.42 118.68 121.90 3bao s LEU 86 Ca 0.08 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 3bao s LEU 86 Cb -0.10 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 3bao s LEU 86 CO 0.04 -0.78 0.55 -0.70 0.23 0.00 0.00 176.35 175.69 3bao s GLU 87 N 2.92 4.11 0.08 1.70 2.12 -0.45 -1.54 118.70 127.64 3bao s GLU 87 Ca 0.25 0.41 0.03 0.00 0.36 0.00 0.00 54.97 56.02 3bao s GLU 87 Cb -0.14 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 3bao s GLU 87 CO 0.19 -0.32 -0.09 1.03 -0.54 0.00 0.00 175.26 175.53 3bao s ARG 88 N 2.20 0.77 0.39 4.30 1.81 -0.34 -4.68 118.95 123.40 3bao s ARG 88 Ca 0.23 -1.08 -0.24 0.00 -1.72 0.00 0.00 55.73 52.92 3bao s ARG 88 Cb -0.16 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.80 3bao s ARG 88 CO 0.09 0.07 1.04 -1.17 -0.68 0.00 0.00 175.30 174.65 3bao s LEU 89 N -2.29 4.17 -0.03 2.53 2.96 -0.09 -0.36 118.68 125.57 3bao s LEU 89 Ca 0.02 2.02 -0.03 0.00 -0.22 0.00 0.00 54.13 55.93 3bao s LEU 89 Cb -0.04 -4.15 0.01 0.00 0.50 0.00 0.00 46.19 42.51 3bao s LEU 89 CO -0.00 -0.43 0.08 -0.70 -1.32 0.00 0.00 176.35 173.97 3bao s GLU 90 N -2.42 0.09 -1.28 1.98 2.56 0.74 -4.81 118.70 115.56 3bao s GLU 90 Ca 0.57 0.11 -0.05 0.00 0.00 0.00 0.00 54.97 55.60 3bao s GLU 90 Cb -0.22 0.04 0.03 0.00 2.00 0.00 0.00 34.13 35.98 3bao s GLU 90 CO 0.27 -0.01 0.32 0.39 -0.56 0.00 0.00 175.26 175.68 3bao n GLU 91 N 3.05 -3.22 -2.31 4.30 1.02 -1.26 -1.12 120.64 121.10 3bao n GLU 91 Ca -0.12 0.62 -0.18 0.00 -0.02 0.00 0.00 57.16 57.46 3bao n GLU 91 Cb 0.59 -5.32 -0.02 0.00 -0.02 0.00 0.00 31.44 26.67 3bao n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bao n ASN 92 N -2.16 -5.11 0.00 1.62 4.13 -1.26 -4.63 115.26 107.85 3bao n ASN 92 Ca -0.09 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3bao n ASN 92 Cb 0.59 -4.32 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 3bao n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bao n HIS 93 N -3.59 -2.32 -2.26 3.10 -0.00 -0.33 -5.15 115.22 104.66 3bao n HIS 93 Ca -0.21 0.02 -0.25 0.00 -0.00 0.00 0.00 57.72 57.28 3bao n HIS 93 Cb 0.65 0.53 0.06 0.00 -0.00 0.00 0.00 29.99 31.23 3bao n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3bao s TYR 94 N -2.00 2.94 -0.11 1.57 2.02 -0.28 -4.82 117.35 116.67 3bao s TYR 94 Ca 0.00 0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 57.08 3bao s TYR 94 Cb 0.00 -3.11 -0.03 0.00 -0.40 0.00 0.00 41.96 38.41 3bao s TYR 94 CO 0.00 -1.31 0.03 -0.80 -1.57 0.00 0.00 175.55 171.90 3bao s ASN 95 N -4.49 5.42 0.23 2.29 -0.87 0.63 -0.19 114.94 117.96 3bao s ASN 95 Ca 0.59 0.16 0.12 0.00 -1.57 0.00 0.00 52.86 52.16 3bao s ASN 95 Cb -0.11 -1.65 -0.05 0.00 -0.02 0.00 0.00 41.25 39.42 3bao s ASN 95 CO 0.44 0.34 -0.22 0.42 -2.57 0.00 0.00 177.10 175.51 3bao s THR 96 N -0.62 2.43 -0.20 1.60 -4.23 0.51 -0.99 115.64 114.14 3bao s THR 96 Ca 0.11 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 3bao s THR 96 Cb -0.12 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3bao s THR 96 CO 0.02 -0.23 0.00 -0.31 -0.54 0.00 0.00 174.62 173.57 3bao s TYR 97 N -2.00 1.45 -0.14 3.99 2.02 -1.26 -1.20 117.35 120.21 3bao s TYR 97 Ca 0.25 -1.12 -0.07 0.00 -0.37 0.00 0.00 57.07 55.76 3bao s TYR 97 Cb -0.07 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3bao s TYR 97 CO 0.12 -0.65 0.09 0.42 -1.57 0.00 0.00 175.55 173.96 3bao s ILE 98 N 1.71 5.09 -0.03 2.71 1.01 -0.59 -1.10 121.20 130.01 3bao s ILE 98 Ca -0.02 0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.36 3bao s ILE 98 Cb -0.17 -3.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 3bao s ILE 98 CO -0.07 0.55 1.88 -0.24 0.00 0.00 0.00 174.94 177.05 3bao n SER 99 N 2.66 3.63 -0.10 3.58 2.88 -0.37 0.16 113.62 126.06 3bao n SER 99 Ca -0.18 0.97 -0.11 0.00 -1.33 0.00 0.00 58.87 58.21 3bao n SER 99 Cb 0.54 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 3bao n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bao h LYS 100 N 9.25 0.49 -0.48 -1.46 3.64 -1.49 0.30 116.57 126.82 3bao h LYS 100 Ca -0.48 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 58.79 3bao h LYS 100 Cb 1.26 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3bao h LYS 100 CO 0.94 0.63 0.32 -0.22 -2.27 0.00 0.00 179.45 178.85 3bao h LYS 101 N 0.29 0.47 -0.37 1.90 3.64 -1.77 -2.35 116.57 118.38 3bao h LYS 101 Ca 0.08 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 3bao h LYS 101 Cb 0.39 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 31.98 3bao h LYS 101 CO 0.01 0.31 -0.15 0.72 -2.27 0.00 0.00 179.45 178.07 3bao n HIS 102 N -4.48 1.18 -0.13 1.91 8.25 -1.12 -4.76 115.22 116.07 3bao n HIS 102 Ca 0.06 -1.70 0.07 0.00 -0.26 0.00 0.00 57.72 55.89 3bao n HIS 102 Cb 0.19 -0.50 0.40 0.00 1.12 0.00 0.00 29.99 31.20 3bao n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bao h ALA 103 N 1.11 1.78 0.00 -1.41 0.00 -0.37 -1.02 119.26 119.36 3bao h ALA 103 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3bao h ALA 103 Cb 1.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3bao h ALA 103 CO 0.42 0.12 0.00 1.05 0.00 0.00 0.00 179.25 180.84 3bao h GLU 104 N 0.64 0.00 -0.01 0.00 9.09 -1.85 -2.47 114.58 119.98 3bao h GLU 104 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3bao h GLU 104 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 3bao h GLU 104 CO -0.09 0.00 -0.33 1.63 0.05 0.00 0.00 179.01 180.27 3bao n LYS 105 N -2.72 0.78 -3.63 1.06 5.02 -0.39 -4.98 118.16 113.31 3bao n LYS 105 Ca 0.01 -0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 55.59 3bao n LYS 105 Cb 0.23 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3bao n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bao n ASN 106 N -0.67 -1.86 -4.61 4.39 4.13 -0.93 -4.97 115.26 110.75 3bao n ASN 106 Ca 0.11 -0.79 -0.39 0.00 1.68 0.00 0.00 54.58 55.19 3bao n ASN 106 Cb 0.36 -4.26 -0.09 0.00 -1.54 0.00 0.00 39.78 34.25 3bao n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3bao s TRP 107 N -3.59 3.25 0.20 3.10 0.51 -1.25 -4.46 118.94 116.69 3bao s TRP 107 Ca 0.06 0.37 0.07 0.00 -2.12 0.00 0.00 56.10 54.48 3bao s TRP 107 Cb -0.01 -2.53 -0.04 0.00 -0.81 0.00 0.00 33.47 30.07 3bao s TRP 107 CO 0.80 -0.20 0.04 -0.06 -0.51 0.00 0.00 176.95 177.01 3bao s PHE 108 N 1.97 2.89 0.11 -1.98 0.40 -1.26 -1.24 117.98 118.86 3bao s PHE 108 Ca 0.14 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 3bao s PHE 108 Cb -0.16 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 3bao s PHE 108 CO 0.10 0.54 1.08 0.08 0.70 0.00 0.00 175.22 177.71 3bao s VAL 109 N -1.88 4.20 0.07 -0.44 1.01 -0.26 -4.53 120.40 118.57 3bao s VAL 109 Ca 0.29 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 3bao s VAL 109 Cb -0.09 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.24 3bao s VAL 109 CO 0.20 0.23 0.58 -0.83 0.00 0.00 0.00 175.10 175.28 3bao s GLY 110 N 0.39 -0.52 -0.03 4.51 0.00 -1.26 -4.46 107.32 105.93 3bao s GLY 110 Ca 0.52 0.68 0.06 0.00 0.00 0.00 0.00 44.72 45.98 3bao s GLY 110 CO 0.31 0.36 -0.22 1.08 0.00 0.00 0.00 173.10 174.63 3bao s LEU 111 N -2.14 2.02 0.79 0.66 1.43 -0.51 -0.60 118.68 120.33 3bao s LEU 111 Ca -0.04 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 3bao s LEU 111 Cb -0.00 -1.18 0.07 0.00 0.03 0.00 0.00 46.19 45.10 3bao s LEU 111 CO -0.04 0.24 1.16 -0.54 0.23 0.00 0.00 176.35 177.40 3bao s LYS 112 N -0.31 2.16 0.52 1.70 1.02 0.35 -4.47 119.74 120.71 3bao s LYS 112 Ca 0.03 0.19 0.22 0.00 0.02 0.00 0.00 55.97 56.43 3bao s LYS 112 Cb -0.11 -1.97 1.38 0.00 -0.52 0.00 0.00 37.83 36.62 3bao s LYS 112 CO 0.01 -1.48 2.12 0.87 -0.92 0.00 0.00 175.35 175.95 3bao h LYS 113 N -0.97 0.00 -0.07 1.68 1.57 -1.89 -1.25 116.57 115.64 3bao h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3bao h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3bao h LYS 113 CO 0.65 0.08 0.00 0.27 -0.57 0.00 0.00 179.45 179.89 3bao n ASN 114 N -4.09 0.69 0.00 0.86 0.23 -1.26 -4.72 115.26 106.97 3bao n ASN 114 Ca -0.03 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 3bao n ASN 114 Cb 0.17 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3bao n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bao n GLY 115 N 0.93 1.50 3.83 4.83 0.00 -0.47 -5.00 105.19 110.81 3bao n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3bao n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bao s SER 116 N -3.06 6.87 0.45 1.61 1.04 -1.26 -0.40 113.70 118.96 3bao s SER 116 Ca 0.00 1.54 -0.21 0.00 0.48 0.00 0.00 55.95 57.76 3bao s SER 116 Cb 0.00 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 3bao s SER 116 CO 0.00 -0.31 1.00 0.00 0.98 0.00 0.00 173.24 174.90 3bao s LYS 118 N -3.13 3.71 -0.07 0.00 1.02 0.23 -4.79 119.74 116.71 3bao s LYS 118 Ca 0.64 0.85 -0.10 0.00 0.02 0.00 0.00 55.97 57.38 3bao s LYS 118 Cb -0.13 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 3bao s LYS 118 CO 0.17 -0.47 0.25 1.03 -0.92 0.00 0.00 175.35 175.41 3bao s ARG 119 N -4.70 3.66 0.26 1.68 0.52 -1.26 -4.67 118.95 114.44 3bao s ARG 119 Ca 0.57 0.09 -0.09 0.00 -0.52 0.00 0.00 55.73 55.79 3bao s ARG 119 Cb -0.11 -3.21 0.41 0.00 0.52 0.00 0.00 34.95 32.56 3bao s ARG 119 CO 0.44 0.72 1.59 0.78 0.02 0.00 0.00 175.30 178.86 3bao h GLY 120 N 4.93 0.69 2.00 -3.53 0.00 -0.30 0.65 103.07 107.52 3bao h GLY 120 Ca -0.53 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3bao h GLY 120 CO 0.60 -0.34 0.00 -2.55 0.00 0.00 0.00 176.54 174.25 3bao h PRO 121 N 0.01 0.00 -0.40 4.80 0.11 -1.83 -1.66 132.00 133.02 3bao h PRO 121 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3bao h PRO 121 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3bao h PRO 121 CO -0.86 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.47 3bao n ARG 122 N -3.04 2.37 -4.13 1.05 5.12 0.21 -4.92 116.66 113.32 3bao n ARG 122 Ca -0.02 -2.08 -0.25 0.00 -1.93 0.00 0.00 57.85 53.57 3bao n ARG 122 Cb 0.10 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 3bao n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bao s THR 123 N -1.48 4.28 -0.05 0.55 -4.23 -0.63 -4.90 115.64 109.19 3bao s THR 123 Ca 0.38 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.31 3bao s THR 123 Cb 0.22 -3.22 0.11 0.00 1.34 0.00 0.00 72.50 70.95 3bao s THR 123 CO 0.30 -0.19 1.02 -1.38 -0.54 0.00 0.00 174.62 173.83 3bao s HIS 124 N -1.89 -0.24 0.51 3.99 -3.43 -1.26 -4.83 115.29 108.14 3bao s HIS 124 Ca 0.31 0.11 -0.22 0.00 -0.80 0.00 0.00 55.06 54.46 3bao s HIS 124 Cb -0.09 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.53 3bao s HIS 124 CO 0.23 -0.45 1.09 0.66 -2.00 0.00 0.00 174.74 174.27 3bao n TYR 125 N -0.24 1.39 0.00 0.38 4.01 -1.26 -2.80 117.16 118.64 3bao n TYR 125 Ca -0.06 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 3bao n TYR 125 Cb 0.61 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.39 3bao n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bao n GLY 126 N 1.09 2.00 3.85 2.72 0.00 -1.26 -5.07 105.19 108.52 3bao n GLY 126 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3bao n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bao s GLN 127 N -0.88 3.79 0.12 1.61 -0.21 -1.12 -4.99 119.66 117.98 3bao s GLN 127 Ca 0.00 0.86 0.14 0.00 0.02 0.00 0.00 55.36 56.38 3bao s GLN 127 Cb 0.00 -2.11 -0.11 0.00 1.00 0.00 0.00 33.01 31.79 3bao s GLN 127 CO 0.00 -0.41 1.08 0.87 -2.12 0.00 0.00 175.29 174.71 3bao h LYS 128 N 0.35 0.00 0.00 2.91 1.79 -1.97 -3.34 116.57 116.31 3bao h LYS 128 Ca -0.46 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3bao h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3bao h LYS 128 CO 0.62 0.53 -0.00 0.00 -1.08 0.00 0.00 179.45 179.51 3bao h ALA 129 N 1.29 1.55 -0.02 3.86 0.00 -1.94 -2.62 119.26 121.38 3bao h ALA 129 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bao h ALA 129 Cb 1.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3bao h ALA 129 CO 0.07 0.00 -0.09 0.44 0.00 0.00 0.00 179.25 179.68 3bao n ILE 130 N -3.89 0.00 -3.20 0.00 -5.35 -1.25 -1.43 119.36 104.24 3bao n ILE 130 Ca -0.03 -0.29 -0.40 0.00 -0.27 0.00 0.00 62.75 61.76 3bao n ILE 130 Cb 0.08 0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 38.71 3bao n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bao s LEU 131 N -2.13 4.08 0.22 7.28 1.43 -0.99 -4.42 118.68 124.15 3bao s LEU 131 Ca 0.31 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 54.04 3bao s LEU 131 Cb 0.20 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3bao s LEU 131 CO 0.38 -0.33 -0.21 -0.36 0.23 0.00 0.00 176.35 176.05 3bao s PHE 132 N 2.38 2.21 -0.07 0.29 0.40 -0.16 -1.87 117.98 121.16 3bao s PHE 132 Ca 0.22 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 3bao s PHE 132 Cb -0.16 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.35 3bao s PHE 132 CO 0.09 0.55 -0.07 -1.17 0.70 0.00 0.00 175.22 175.32 3bao s LEU 133 N -2.99 1.30 -0.44 -0.37 2.96 0.33 -0.27 118.68 119.20 3bao s LEU 133 Ca 0.23 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.63 3bao s LEU 133 Cb -0.06 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 45.99 3bao s LEU 133 CO 0.11 -0.06 1.15 -2.16 -1.32 0.00 0.00 176.35 174.07 3bao s PRO 134 N 1.16 3.78 0.11 0.98 0.04 -1.26 -1.04 135.00 138.77 3bao s PRO 134 Ca -0.06 0.70 0.04 0.00 0.04 0.00 0.00 61.00 61.72 3bao s PRO 134 Cb -0.14 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 3bao s PRO 134 CO -0.01 -1.31 0.06 -0.51 0.04 0.00 0.00 177.00 175.27 3bao s LEU 135 N 4.38 3.64 0.65 -3.56 1.43 0.24 -4.90 118.68 120.57 3bao s LEU 135 Ca 0.49 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3bao s LEU 135 Cb -0.09 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 3bao s LEU 135 CO 0.29 0.14 1.16 -2.16 0.23 0.00 0.00 176.35 176.01 3bao s PRO 136 N -2.59 2.72 0.00 1.29 0.04 -1.26 -0.40 135.00 134.80 3bao s PRO 136 Ca 0.28 1.61 0.30 0.00 0.04 0.00 0.00 61.00 63.24 3bao s PRO 136 Cb -0.11 -1.92 1.58 0.00 0.04 0.00 0.00 34.50 34.09 3bao s PRO 136 CO 0.21 -1.36 2.04 1.33 0.04 0.00 0.00 177.00 179.27