#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3acp s THR 2 N 0.00 3.80 0.14 1.12 2.01 -1.25 -4.76 115.64 116.71 3acp s THR 2 Ca 0.00 0.71 0.10 0.00 0.31 0.00 0.00 61.69 62.81 3acp s THR 2 Cb 0.00 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 3acp s THR 2 CO 0.00 -1.09 -0.24 -0.54 -0.69 0.00 0.00 174.62 172.06 3acp s LYS 3 N 5.42 1.33 -0.15 4.92 1.02 -0.52 -4.98 119.74 126.78 3acp s LYS 3 Ca 0.54 -1.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 3acp s LYS 3 Cb -0.11 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 3acp s LYS 3 CO 0.26 0.38 0.02 -0.08 -0.92 0.00 0.00 175.35 175.02 3acp s THR 4 N -1.32 4.46 -0.46 2.17 -1.32 -1.26 -1.48 115.64 116.43 3acp s THR 4 Ca 0.13 -0.16 -0.21 0.00 -1.21 0.00 0.00 61.69 60.24 3acp s THR 4 Cb -0.09 -2.97 0.03 0.00 -1.51 0.00 0.00 72.50 67.96 3acp s THR 4 CO 0.06 0.50 0.68 -0.63 -2.21 0.00 0.00 174.62 173.03 3acp s ILE 5 N 0.09 4.77 -0.07 5.08 1.01 0.21 -4.90 121.20 127.39 3acp s ILE 5 Ca 0.03 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 3acp s ILE 5 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 3acp s ILE 5 CO 0.01 -0.68 1.37 -0.89 0.00 0.00 0.00 174.94 174.75 3acp s THR 6 N 2.95 3.95 -0.18 2.92 2.01 -1.26 -4.54 115.64 121.49 3acp s THR 6 Ca 0.23 1.25 -0.10 0.00 0.31 0.00 0.00 61.69 63.38 3acp s THR 6 Cb -0.14 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3acp s THR 6 CO 0.19 -0.05 0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 3acp s VAL 7 N 2.96 5.40 0.06 3.82 1.01 -1.26 -4.93 120.40 127.46 3acp s VAL 7 Ca 0.61 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.94 3acp s VAL 7 Cb -0.28 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3acp s VAL 7 CO 0.23 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.59 3acp s ALA 8 N 0.22 2.59 -0.17 5.51 0.00 -1.26 -1.97 121.76 126.67 3acp s ALA 8 Ca 0.11 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3acp s ALA 8 Cb -0.12 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3acp s ALA 8 CO -0.00 0.57 -0.19 -1.01 0.00 0.00 0.00 175.76 175.13 3acp s HIS 9 N -0.96 2.77 0.13 0.00 0.09 0.11 -4.96 115.29 112.47 3acp s HIS 9 Ca 0.15 -1.53 -0.09 0.00 -0.00 0.00 0.00 55.06 53.60 3acp s HIS 9 Cb -0.10 -1.91 -0.06 0.00 -0.00 0.00 0.00 32.58 30.50 3acp s HIS 9 CO 0.06 -0.74 0.43 -1.50 -0.00 0.00 0.00 174.74 172.99 3acp s ILE 10 N 1.20 5.07 0.07 0.60 2.07 -1.26 -0.36 121.20 128.58 3acp s ILE 10 Ca 0.02 0.36 -0.33 0.00 -1.41 0.00 0.00 60.65 59.29 3acp s ILE 10 Cb -0.14 -3.64 -0.12 0.00 0.13 0.00 0.00 42.46 38.69 3acp s ILE 10 CO -0.10 0.14 1.75 1.67 -1.91 0.00 0.00 174.94 176.49 3acp n GLN 11 N 0.46 2.33 0.26 3.50 7.27 -0.60 -4.83 117.38 125.76 3acp n GLN 11 Ca -0.04 0.85 0.09 0.00 0.07 0.00 0.00 57.00 57.96 3acp n GLN 11 Cb 0.52 -2.67 0.66 0.00 2.41 0.00 0.00 30.24 31.16 3acp n GLN 11 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 3acp h TYR 12 N 7.68 0.00 -0.49 3.69 -0.00 -1.92 -1.97 116.97 123.96 3acp h TYR 12 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3acp h TYR 12 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3acp h TYR 12 CO 0.75 0.05 0.00 -0.40 -0.00 0.00 0.00 178.16 178.56 3acp n ASP 13 N -4.31 4.63 0.12 0.10 5.75 -1.26 -4.64 116.55 116.94 3acp n ASP 13 Ca -0.03 -2.70 0.16 0.00 -0.01 0.00 0.00 54.79 52.22 3acp n ASP 13 Cb 0.14 -0.57 0.71 0.00 -1.03 0.00 0.00 41.12 40.38 3acp n ASP 13 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 3acp h PHE 14 N 3.24 0.00 -0.31 2.11 -0.00 -1.73 -0.92 116.94 119.33 3acp h PHE 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 3acp h PHE 14 Cb 1.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.47 3acp h PHE 14 CO 0.73 0.00 0.12 -0.22 -0.00 0.00 0.00 178.31 178.95 3acp h LYS 15 N 0.00 0.46 -0.32 6.09 3.64 -1.84 -0.34 116.57 124.26 3acp h LYS 15 Ca 0.14 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3acp h LYS 15 Cb 0.60 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3acp h LYS 15 CO -0.00 0.47 0.22 0.00 -2.27 0.00 0.00 179.45 177.86 3acp h ALA 16 N 0.96 1.93 -0.13 5.00 0.00 -1.54 -1.28 119.26 124.20 3acp h ALA 16 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3acp h ALA 16 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3acp h ALA 16 CO -0.01 0.02 -0.04 0.28 0.00 0.00 0.00 179.25 179.51 3acp h VAL 17 N 0.30 1.29 -0.46 0.00 2.07 -1.12 -2.11 116.25 116.23 3acp h VAL 17 Ca 0.13 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3acp h VAL 17 Cb 0.16 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3acp h VAL 17 CO -0.03 0.29 0.12 -0.07 0.02 0.00 0.00 177.57 177.90 3acp h LEU 18 N -0.05 0.62 -2.81 2.57 3.38 -0.31 -3.01 115.31 115.70 3acp h LEU 18 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3acp h LEU 18 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3acp h LEU 18 CO 0.01 0.61 0.00 -1.84 0.09 0.00 0.00 178.44 177.32 3acp n GLU 19 N -4.31 2.79 -0.18 1.13 0.28 -0.56 -4.42 120.64 115.38 3acp n GLU 19 Ca 0.03 -2.36 -0.03 0.00 -0.16 0.00 0.00 57.16 54.64 3acp n GLU 19 Cb 0.20 -1.42 0.07 0.00 1.43 0.00 0.00 31.44 31.71 3acp n GLU 19 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3acp h GLU 20 N 3.20 0.45 -3.74 3.44 4.57 -1.23 -3.47 114.58 117.79 3acp h GLU 20 Ca 0.00 -0.03 -0.33 0.00 -1.18 0.00 0.00 59.36 57.82 3acp h GLU 20 Cb 0.86 -0.10 0.05 0.00 -0.16 0.00 0.00 28.75 29.40 3acp h GLU 20 CO 0.00 0.30 -0.50 -1.71 -1.18 0.00 0.00 179.01 175.92 3acp n ASN 21 N -4.92 -5.31 -4.76 1.04 5.15 -1.26 -5.01 115.26 100.18 3acp n ASN 21 Ca 0.06 -0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 3acp n ASN 21 Cb 0.18 -4.15 0.08 0.00 -0.53 0.00 0.00 39.78 35.36 3acp n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3acp s ASP 22 N -2.77 4.65 0.16 1.20 2.15 -1.26 -4.81 116.67 115.99 3acp s ASP 22 Ca 0.25 1.95 -0.06 0.00 0.43 0.00 0.00 52.55 55.12 3acp s ASP 22 Cb -0.11 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3acp s ASP 22 CO 0.31 -1.94 1.45 -0.08 -0.17 0.00 0.00 175.17 174.74 3acp h GLU 23 N -0.62 0.65 -6.92 4.34 4.57 -1.95 -3.10 114.58 111.56 3acp h GLU 23 Ca -0.45 -0.43 -0.49 0.00 -1.18 0.00 0.00 59.36 56.80 3acp h GLU 23 Cb 1.24 0.06 0.03 0.00 -0.16 0.00 0.00 28.75 29.92 3acp h GLU 23 CO 0.52 1.05 0.11 -0.80 -1.18 0.00 0.00 179.01 178.71 3acp s ASN 24 N -6.96 6.31 0.31 1.04 0.01 -1.26 -4.00 114.94 110.39 3acp s ASN 24 Ca -0.08 0.96 -0.29 0.00 -0.71 0.00 0.00 52.86 52.74 3acp s ASN 24 Cb 0.11 -2.26 -0.11 0.00 0.41 0.00 0.00 41.25 39.40 3acp s ASN 24 CO 0.86 -0.55 1.48 -1.81 -1.51 0.00 0.00 177.10 175.57 3acp s ASP 25 N -3.94 6.51 0.39 -1.22 1.11 -1.26 -3.87 116.67 114.38 3acp s ASP 25 Ca 0.48 2.85 0.02 0.00 0.18 0.00 0.00 52.55 56.08 3acp s ASP 25 Cb -0.10 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.24 3acp s ASP 25 CO 0.43 -0.78 0.07 -0.67 1.18 0.00 0.00 175.17 175.39 3acp n ASP 26 N 1.60 2.05 -3.64 0.27 -0.08 -0.16 -4.94 116.55 111.66 3acp n ASP 26 Ca 0.05 -2.89 -0.14 0.00 -1.51 0.00 0.00 54.79 50.29 3acp n ASP 26 Cb 0.39 0.64 -0.08 0.00 2.34 0.00 0.00 41.12 44.42 3acp n ASP 26 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3acp s GLU 27 N -3.44 0.80 0.15 -0.67 2.12 -1.26 0.44 118.70 116.83 3acp s GLU 27 Ca 0.10 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.24 3acp s GLU 27 Cb 0.00 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 3acp s GLU 27 CO 0.07 -0.13 -0.10 -0.59 -0.54 0.00 0.00 175.26 173.98 3acp s PHE 28 N 0.06 1.26 0.13 5.30 -0.71 -0.01 -4.94 117.98 119.07 3acp s PHE 28 Ca -0.02 -0.77 0.04 0.00 -1.04 0.00 0.00 56.93 55.14 3acp s PHE 28 Cb -0.04 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 3acp s PHE 28 CO 0.02 0.07 0.11 1.52 -1.34 0.00 0.00 175.22 175.60 3acp s TYR 29 N -3.35 3.15 -0.17 3.49 1.13 -1.26 -0.30 117.35 120.05 3acp s TYR 29 Ca 0.17 0.01 -0.00 0.00 -1.41 0.00 0.00 57.07 55.84 3acp s TYR 29 Cb 0.03 -1.55 0.04 0.00 -1.10 0.00 0.00 41.96 39.38 3acp s TYR 29 CO 0.01 0.52 -0.06 0.42 -2.51 0.00 0.00 175.55 173.92 3acp s ILE 30 N -1.61 1.19 -0.19 -3.49 1.01 -0.12 -1.55 121.20 116.43 3acp s ILE 30 Ca 0.30 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 3acp s ILE 30 Cb -0.11 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3acp s ILE 30 CO 0.23 0.15 0.57 0.20 0.00 0.00 0.00 174.94 176.09 3acp s ASN 31 N 1.60 6.65 -0.24 3.58 0.02 0.51 -1.26 114.94 125.80 3acp s ASN 31 Ca 0.01 0.78 -0.07 0.00 -1.02 0.00 0.00 52.86 52.56 3acp s ASN 31 Cb -0.15 -2.32 -0.03 0.00 0.02 0.00 0.00 41.25 38.77 3acp s ASN 31 CO -0.08 -0.21 0.05 -0.69 0.02 0.00 0.00 177.10 176.19 3acp s VAL 32 N 1.65 4.18 0.09 1.60 1.01 -0.57 0.09 120.40 128.45 3acp s VAL 32 Ca 0.27 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 3acp s VAL 32 Cb -0.16 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 3acp s VAL 32 CO 0.10 0.36 0.81 -1.81 0.00 0.00 0.00 175.10 174.57 3acp s ASP 33 N 1.49 7.32 -0.52 3.32 1.01 -0.83 -1.14 116.67 127.32 3acp s ASP 33 Ca 0.06 1.58 0.05 0.00 0.71 0.00 0.00 52.55 54.94 3acp s ASP 33 Cb -0.15 -2.50 0.19 0.00 1.01 0.00 0.00 42.92 41.47 3acp s ASP 33 CO 0.03 0.05 0.45 0.29 0.21 0.00 0.00 175.17 176.20 3acp n LYS 34 N 2.46 0.98 -3.76 8.23 5.02 -1.10 -4.55 118.16 125.45 3acp n LYS 34 Ca -0.02 -3.73 -0.32 0.00 -2.02 0.00 0.00 58.31 52.22 3acp n LYS 34 Cb 0.50 -1.86 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3acp n LYS 34 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3acp n ASN 35 N 2.20 -5.14 -3.02 4.39 4.05 -1.26 -4.12 115.26 112.35 3acp n ASN 35 Ca 0.26 -1.01 -0.14 0.00 0.45 0.00 0.00 54.58 54.14 3acp n ASN 35 Cb 0.44 -2.74 0.07 0.00 1.23 0.00 0.00 39.78 38.78 3acp n ASN 35 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3acp n LEU 36 N -3.92 -3.89 -4.33 1.20 7.94 -1.26 -1.73 117.00 111.01 3acp n LEU 36 Ca -0.13 -0.53 -0.46 0.00 -1.11 0.00 0.00 56.01 53.78 3acp n LEU 36 Cb 0.60 -2.71 -0.03 0.00 0.53 0.00 0.00 43.42 41.81 3acp n LEU 36 CO 0.67 0.29 0.35 0.54 -1.11 0.00 0.00 177.39 178.13 3acp s ASN 37 N -4.03 6.52 0.00 1.96 4.22 -1.26 -4.63 114.94 117.73 3acp s ASN 37 Ca 0.05 -2.27 0.00 0.00 -2.14 0.00 0.00 52.86 48.50 3acp s ASN 37 Cb -0.01 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.30 3acp s ASN 37 CO 0.61 -0.73 0.00 -0.62 -2.04 0.00 0.00 177.10 174.32 3acp n GLU 38 N 4.68 0.00 -3.51 3.55 1.02 -0.71 -5.04 120.64 120.63 3acp n GLU 38 Ca 0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 3acp n GLU 38 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.84 3acp n GLU 38 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3acp s ILE 39 N -2.86 0.00 -0.14 -3.67 -4.36 -1.26 -2.70 121.20 106.21 3acp s ILE 39 Ca 0.00 -0.05 -0.02 0.00 -0.26 0.00 0.00 60.65 60.33 3acp s ILE 39 Cb 0.00 -1.06 -0.02 0.00 1.25 0.00 0.00 42.46 42.62 3acp s ILE 39 CO 0.00 0.00 -0.08 -1.59 0.24 0.00 0.00 174.94 173.51 3acp s LYS 40 N -3.25 3.49 -0.34 0.37 -2.85 -0.29 -4.93 119.74 111.94 3acp s LYS 40 Ca 0.05 -0.59 -0.12 0.00 -1.00 0.00 0.00 55.97 54.30 3acp s LYS 40 Cb -0.01 -2.77 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 3acp s LYS 40 CO -0.09 0.26 0.23 -2.00 0.10 0.00 0.00 175.35 173.84 3acp s GLU 41 N 0.28 3.34 -0.12 1.78 2.12 -1.26 -1.51 118.70 123.34 3acp s GLU 41 Ca -0.06 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.38 3acp s GLU 41 Cb -0.15 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 3acp s GLU 41 CO 0.04 -0.50 0.35 -1.01 -0.54 0.00 0.00 175.26 173.60 3acp s HIS 42 N 1.68 3.53 -0.24 5.30 3.76 -0.39 -4.98 115.29 123.96 3acp s HIS 42 Ca 0.05 0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 55.62 3acp s HIS 42 Cb -0.18 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 3acp s HIS 42 CO 0.09 0.33 0.07 0.15 -0.85 0.00 0.00 174.74 174.53 3acp s LYS 43 N 0.12 3.72 -0.31 1.40 1.02 -1.26 -0.95 119.74 123.48 3acp s LYS 43 Ca 0.20 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.63 3acp s LYS 43 Cb -0.14 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3acp s LYS 43 CO 0.07 -0.10 0.17 0.42 -0.92 0.00 0.00 175.35 174.99 3acp s ILE 44 N 1.39 4.80 -0.05 2.17 -1.09 0.59 -4.72 121.20 124.29 3acp s ILE 44 Ca 0.05 -0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 57.93 3acp s ILE 44 Cb -0.15 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3acp s ILE 44 CO 0.04 0.09 0.72 0.68 -1.23 0.00 0.00 174.94 175.23 3acp s VAL 45 N 1.65 5.00 -0.49 2.92 -7.23 -0.81 -0.83 120.40 120.61 3acp s VAL 45 Ca 0.05 1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 61.57 3acp s VAL 45 Cb -0.17 -4.06 0.10 0.00 0.56 0.00 0.00 36.38 32.81 3acp s VAL 45 CO 0.07 0.26 0.41 -0.69 -0.31 0.00 0.00 175.10 174.85 3acp s VAL 46 N 0.68 5.03 0.35 1.32 1.01 0.17 -1.24 120.40 127.72 3acp s VAL 46 Ca 0.38 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3acp s VAL 46 Cb -0.18 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 3acp s VAL 46 CO 0.19 -0.69 1.44 -0.76 0.00 0.00 0.00 175.10 175.28 3acp s LEU 47 N 1.58 4.36 0.90 3.92 1.43 -0.54 -0.98 118.68 129.34 3acp s LEU 47 Ca 0.04 2.91 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 3acp s LEU 47 Cb -0.26 -3.66 0.13 0.00 0.03 0.00 0.00 46.19 42.43 3acp s LEU 47 CO 0.04 -0.77 1.09 -0.83 0.23 0.00 0.00 176.35 176.12 3acp s GLY 48 N -0.16 1.61 0.00 -3.19 0.00 -1.25 -3.80 107.32 100.53 3acp s GLY 48 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3acp s GLY 48 CO 0.58 0.42 0.00 0.70 0.00 0.00 0.00 173.10 174.80 3acp n ASN 49 N -3.90 -2.06 -2.39 1.64 5.03 -1.17 -2.77 115.26 109.64 3acp n ASN 49 Ca 0.07 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.43 3acp n ASN 49 Cb 0.55 -0.34 -0.01 0.00 -1.02 0.00 0.00 39.78 38.96 3acp n ASN 49 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3acp n SER 50 N 0.00 -3.02 -0.27 6.41 7.64 -1.25 -4.86 113.62 118.27 3acp n SER 50 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3acp n SER 50 Cb 0.00 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 3acp n SER 50 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3acp n ARG 51 N -2.65 1.00 0.00 1.43 1.85 -1.11 -4.98 116.66 112.19 3acp n ARG 51 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 3acp n ARG 51 Cb 0.56 -1.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 3acp n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3acp n GLY 52 N 0.23 0.18 2.97 2.89 0.00 -1.26 -4.93 105.19 105.27 3acp n GLY 52 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 3acp n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3acp s VAL 53 N 0.00 0.07 -0.25 1.61 -7.23 -1.26 -1.47 120.40 111.86 3acp s VAL 53 Ca 0.00 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 3acp s VAL 53 Cb 0.00 -0.21 0.05 0.00 0.56 0.00 0.00 36.38 36.78 3acp s VAL 53 CO 0.00 -0.31 -0.10 -0.62 -0.31 0.00 0.00 175.10 173.76 3acp s ASP 54 N -0.94 4.32 0.00 4.85 -1.08 -0.37 -4.93 116.67 118.51 3acp s ASP 54 Ca -0.10 -1.19 0.25 0.00 -0.52 0.00 0.00 52.55 50.99 3acp s ASP 54 Cb -0.06 -1.59 0.50 0.00 -1.46 0.00 0.00 42.92 40.31 3acp s ASP 54 CO -0.00 -0.17 1.41 0.00 0.52 0.00 0.00 175.17 176.94 3acp n ALA 55 N 4.53 3.01 0.00 3.66 0.00 -1.26 -1.92 120.51 128.52 3acp n ALA 55 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3acp n ALA 55 Cb 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3acp n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3acp n GLY 56 N 1.33 2.17 3.70 0.00 0.00 -1.26 -4.70 105.19 106.42 3acp n GLY 56 Ca 0.13 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3acp n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acp s LYS 57 N -2.86 4.27 0.00 1.61 -0.14 -1.26 -1.76 119.74 119.59 3acp s LYS 57 Ca 0.00 2.10 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 3acp s LYS 57 Cb 0.00 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 3acp s LYS 57 CO 0.00 -0.57 0.00 0.41 -0.76 0.00 0.00 175.35 174.43 3acp n GLY 58 N 3.69 1.23 3.77 -3.33 0.00 -1.26 -4.97 105.19 104.31 3acp n GLY 58 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3acp n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3acp s ASN 59 N -2.93 5.38 0.16 1.61 0.01 -0.72 -4.75 114.94 113.71 3acp s ASN 59 Ca 0.00 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.07 3acp s ASN 59 Cb 0.00 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 3acp s ASN 59 CO 0.00 0.10 -0.15 0.42 -1.51 0.00 0.00 177.10 175.96 3acp s THR 60 N -1.64 1.55 -0.07 1.60 -4.23 -0.62 -4.62 115.64 107.61 3acp s THR 60 Ca 0.30 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3acp s THR 60 Cb -0.10 -1.78 0.04 0.00 1.34 0.00 0.00 72.50 71.99 3acp s THR 60 CO 0.22 -0.47 0.16 0.12 -0.54 0.00 0.00 174.62 174.11 3acp s PHE 61 N -2.45 -0.19 -0.01 3.99 5.36 -1.26 -1.49 117.98 121.93 3acp s PHE 61 Ca 0.15 0.52 -0.23 0.00 -0.96 0.00 0.00 56.93 56.40 3acp s PHE 61 Cb -0.03 -0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 3acp s PHE 61 CO 0.05 -0.16 0.51 -1.83 -1.46 0.00 0.00 175.22 172.33 3acp s GLU 62 N 1.04 0.93 -0.13 10.12 -1.05 0.16 -4.90 118.70 124.88 3acp s GLU 62 Ca -0.08 -0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.41 3acp s GLU 62 Cb -0.10 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 3acp s GLU 62 CO -0.06 -0.30 1.01 0.21 0.95 0.00 0.00 175.26 177.08 3acp s LYS 63 N -1.61 4.39 0.00 -4.83 2.20 -1.26 -0.60 119.74 118.03 3acp s LYS 63 Ca -0.10 1.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.96 3acp s LYS 63 Cb -0.02 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3acp s LYS 63 CO 0.05 -0.37 0.51 1.33 -0.36 0.00 0.00 175.35 176.51 3acp n VAL 64 N 4.68 0.00 -3.57 4.02 0.24 -0.45 -4.95 118.33 118.30 3acp n VAL 64 Ca 0.09 -0.43 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 3acp n VAL 64 Cb 0.48 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 3acp n VAL 64 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3acp s GLY 65 N -1.08 -0.38 0.33 7.63 0.00 -0.58 -4.48 107.32 108.76 3acp s GLY 65 Ca 0.06 1.09 0.11 0.00 0.00 0.00 0.00 44.72 45.97 3acp s GLY 65 CO 0.17 0.35 1.59 0.23 0.00 0.00 0.00 173.10 175.44 3acp h SER 66 N 2.00 -0.01 0.00 1.64 0.87 -1.96 -1.97 113.55 114.11 3acp h SER 66 Ca -0.19 0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3acp h SER 66 Cb 1.21 0.34 -0.13 0.00 -0.44 0.00 0.00 62.40 63.38 3acp h SER 66 CO 0.28 -0.35 -0.63 1.41 -0.53 0.00 0.00 176.83 177.01 3acp n HIS 67 N -5.33 0.00 -3.71 2.24 8.25 -1.26 -5.04 115.22 110.37 3acp n HIS 67 Ca 0.30 -0.98 -0.17 0.00 -0.26 0.00 0.00 57.72 56.60 3acp n HIS 67 Cb 0.99 -0.19 -0.17 0.00 1.12 0.00 0.00 29.99 31.74 3acp n HIS 67 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3acp s LEU 68 N -1.83 0.48 0.10 2.41 2.96 -0.74 -1.54 118.68 120.52 3acp s LEU 68 Ca 0.33 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 3acp s LEU 68 Cb 0.34 -0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.95 3acp s LEU 68 CO -0.09 -0.20 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.22 3acp s TYR 69 N 1.73 1.84 -0.08 5.38 2.02 -0.52 -1.34 117.35 126.38 3acp s TYR 69 Ca -0.01 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3acp s TYR 69 Cb -0.12 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3acp s TYR 69 CO -0.03 0.20 -0.17 0.21 -1.57 0.00 0.00 175.55 174.19 3acp s LYS 70 N -1.83 2.28 0.03 -0.62 2.20 0.23 -0.27 119.74 121.77 3acp s LYS 70 Ca 0.07 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 3acp s LYS 70 Cb -0.10 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 3acp s LYS 70 CO 0.04 0.07 -0.24 0.00 -0.36 0.00 0.00 175.35 174.86 3acp s ALA 71 N 0.58 2.05 -0.21 3.13 0.00 -0.09 -0.66 121.76 126.55 3acp s ALA 71 Ca -0.15 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3acp s ALA 71 Cb -0.17 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.56 3acp s ALA 71 CO 0.05 0.48 -0.13 0.50 0.00 0.00 0.00 175.76 176.66 3acp s ARG 72 N -1.09 2.31 -0.12 0.00 6.06 -0.56 -0.80 118.95 124.77 3acp s ARG 72 Ca 0.10 -1.00 -0.00 0.00 -2.50 0.00 0.00 55.73 52.33 3acp s ARG 72 Cb -0.09 -2.60 0.03 0.00 0.06 0.00 0.00 34.95 32.34 3acp s ARG 72 CO 0.01 -0.42 -0.07 -0.51 -2.50 0.00 0.00 175.30 171.81 3acp s LEU 73 N 1.28 1.19 -1.62 -0.88 1.43 -0.28 -1.59 118.68 118.21 3acp s LEU 73 Ca -0.02 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3acp s LEU 73 Cb -0.17 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.31 3acp s LEU 73 CO -0.08 -0.13 0.47 0.47 0.23 0.00 0.00 176.35 177.31 3acp n ASP 74 N 4.95 -1.24 0.00 2.29 9.92 -1.26 -1.29 116.55 129.91 3acp n ASP 74 Ca -0.12 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 3acp n ASP 74 Cb 0.50 -2.36 0.00 0.00 -0.64 0.00 0.00 41.12 38.62 3acp n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3acp n GLY 75 N -1.78 0.76 3.79 0.44 0.00 -1.26 -5.02 105.19 102.13 3acp n GLY 75 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3acp n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3acp s HIS 76 N -3.17 3.48 -0.12 1.61 3.76 -0.41 -5.10 115.29 115.34 3acp s HIS 76 Ca 0.00 0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 55.25 3acp s HIS 76 Cb 0.00 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 3acp s HIS 76 CO 0.00 0.48 0.13 -0.51 -0.85 0.00 0.00 174.74 173.99 3acp s ASP 77 N -0.25 6.29 0.00 1.40 1.01 -1.26 -1.12 116.67 122.73 3acp s ASP 77 Ca 0.11 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.80 3acp s ASP 77 Cb -0.11 -2.02 -0.00 0.00 1.01 0.00 0.00 42.92 41.79 3acp s ASP 77 CO 0.01 0.40 -0.01 -0.36 0.21 0.00 0.00 175.17 175.41 3acp s PHE 78 N -0.95 0.12 0.07 4.23 0.08 0.02 -4.33 117.98 117.22 3acp s PHE 78 Ca 0.14 -0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.22 3acp s PHE 78 Cb -0.12 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 3acp s PHE 78 CO 0.04 -0.01 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.52 3acp s LEU 79 N -0.09 2.95 -0.14 -0.37 2.01 -0.64 -0.92 118.68 121.48 3acp s LEU 79 Ca -0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 53.78 3acp s LEU 79 Cb -0.01 -1.74 0.03 0.00 0.01 0.00 0.00 46.19 44.48 3acp s LEU 79 CO -0.00 0.22 -0.06 -0.36 1.01 0.00 0.00 176.35 177.15 3acp s PHE 80 N -1.10 1.60 -0.24 0.29 0.08 0.63 -0.54 117.98 118.71 3acp s PHE 80 Ca 0.19 -0.93 -0.05 0.00 0.12 0.00 0.00 56.93 56.26 3acp s PHE 80 Cb -0.11 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3acp s PHE 80 CO 0.10 -0.57 -0.00 1.21 -0.10 0.00 0.00 175.22 175.86 3acp s ASN 81 N 1.67 4.58 0.15 1.36 3.84 0.74 -1.43 114.94 125.84 3acp s ASN 81 Ca 0.03 -0.40 0.03 0.00 0.21 0.00 0.00 52.86 52.73 3acp s ASN 81 Cb -0.14 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.73 3acp s ASN 81 CO -0.08 -0.05 0.20 0.42 -2.79 0.00 0.00 177.10 174.81 3acp s THR 82 N 1.51 4.92 0.25 -5.21 -4.23 -0.59 -0.73 115.64 111.56 3acp s THR 82 Ca 0.05 -0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 3acp s THR 82 Cb -0.15 -3.51 -0.12 0.00 1.34 0.00 0.00 72.50 70.06 3acp s THR 82 CO -0.01 -0.07 1.58 0.00 -0.54 0.00 0.00 174.62 175.58 3acp n ILE 83 N -0.35 0.68 0.02 2.99 3.06 -1.26 -4.58 119.36 119.92 3acp n ILE 83 Ca -0.08 -0.17 0.08 0.00 -2.50 0.00 0.00 62.75 60.09 3acp n ILE 83 Cb 0.54 -1.82 -0.11 0.00 0.54 0.00 0.00 39.64 38.79 3acp n ILE 83 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 3acp n ILE 84 N 2.61 0.43 -3.65 9.51 -5.35 -0.48 -4.96 119.36 117.47 3acp n ILE 84 Ca 0.12 -0.56 -0.08 0.00 -0.27 0.00 0.00 62.75 61.95 3acp n ILE 84 Cb 0.34 -0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 37.95 3acp n ILE 84 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3acp s ARG 85 N -3.33 0.69 -0.48 6.28 3.52 -1.23 -5.03 118.95 119.37 3acp s ARG 85 Ca -0.05 1.16 -0.25 0.00 -0.13 0.00 0.00 55.73 56.46 3acp s ARG 85 Cb 0.11 0.15 0.03 0.00 -1.56 0.00 0.00 34.95 33.68 3acp s ARG 85 CO 0.86 -0.15 0.91 0.34 -0.81 0.00 0.00 175.30 176.45 3acp s ASP 86 N 1.49 6.46 0.00 -2.12 2.15 -1.26 -1.21 116.67 122.17 3acp s ASP 86 Ca -0.09 0.00 0.29 0.00 0.43 0.00 0.00 52.55 53.19 3acp s ASP 86 Cb -0.05 -2.44 1.36 0.00 -0.30 0.00 0.00 42.92 41.49 3acp s ASP 86 CO -0.17 -1.06 1.96 0.61 -0.17 0.00 0.00 175.17 176.34 3acp n GLY 87 N 4.97 -1.26 0.35 2.66 0.00 0.69 -3.27 105.19 109.34 3acp n GLY 87 Ca 0.05 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3acp n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3acp n SER 88 N -1.27 1.27 -0.09 1.61 3.41 -1.12 -4.53 113.62 112.89 3acp n SER 88 Ca 0.12 -1.16 -0.08 0.00 -0.26 0.00 0.00 58.87 57.49 3acp n SER 88 Cb 0.27 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 3acp n SER 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3acp h LYS 89 N 1.74 -0.23 -0.79 4.33 1.63 -1.88 -2.19 116.57 119.18 3acp h LYS 89 Ca 0.00 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 3acp h LYS 89 Cb 0.52 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 3acp h LYS 89 CO 0.00 -0.15 0.06 -1.33 -3.45 0.00 0.00 179.45 174.58 3acp n MET 90 N -4.35 3.04 -4.63 1.90 2.81 -1.26 -4.92 117.12 109.71 3acp n MET 90 Ca -0.02 -1.82 -0.33 0.00 -1.81 0.00 0.00 57.70 53.72 3acp n MET 90 Cb 0.21 -1.91 -0.11 0.00 -0.71 0.00 0.00 33.22 30.69 3acp n MET 90 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3acp s LEU 91 N -1.65 3.07 0.55 4.03 1.43 -0.83 -4.69 118.68 120.58 3acp s LEU 91 Ca 0.32 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 3acp s LEU 91 Cb 0.25 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3acp s LEU 91 CO 0.09 0.33 1.18 -0.54 0.23 0.00 0.00 176.35 177.65 3acp s LYS 92 N -0.98 3.26 -0.14 1.70 1.02 -1.26 -4.93 119.74 118.40 3acp s LYS 92 Ca 0.14 1.77 -0.29 0.00 0.02 0.00 0.00 55.97 57.60 3acp s LYS 92 Cb -0.11 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3acp s LYS 92 CO 0.03 -0.96 1.27 0.50 -0.92 0.00 0.00 175.35 175.27 3acp s ARG 93 N -3.17 4.25 0.16 1.68 3.52 -1.26 -5.01 118.95 119.11 3acp s ARG 93 Ca 0.73 1.69 -0.03 0.00 -0.13 0.00 0.00 55.73 57.99 3acp s ARG 93 Cb -0.28 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 3acp s ARG 93 CO 0.32 -0.67 0.13 0.00 -0.81 0.00 0.00 175.30 174.27 3acp s ALA 94 N 3.30 0.79 -0.46 6.12 0.00 -1.26 -5.01 121.76 125.23 3acp s ALA 94 Ca 0.56 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 3acp s ALA 94 Cb -0.23 1.03 0.05 0.00 0.00 0.00 0.00 23.12 23.97 3acp s ALA 94 CO 0.17 -0.55 0.46 -0.51 0.00 0.00 0.00 175.76 175.32 3acp s ASP 95 N -3.07 6.18 0.06 0.00 1.01 -1.26 -1.14 116.67 118.45 3acp s ASP 95 Ca 0.27 -0.96 -0.30 0.00 0.71 0.00 0.00 52.55 52.27 3acp s ASP 95 Cb 0.06 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 3acp s ASP 95 CO 0.05 -0.66 1.03 -0.31 0.21 0.00 0.00 175.17 175.49 3acp s TYR 96 N 2.05 3.64 0.00 4.23 2.02 -0.35 -1.59 117.35 127.35 3acp s TYR 96 Ca 0.10 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 3acp s TYR 96 Cb -0.20 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 3acp s TYR 96 CO 0.11 -0.29 0.39 0.25 -1.57 0.00 0.00 175.55 174.44 3acp n THR 97 N 3.48 0.00 -3.56 -0.71 -2.24 0.73 -3.57 114.28 108.42 3acp n THR 97 Ca 0.05 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 3acp n THR 97 Cb 0.49 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 3acp n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3acp s ALA 98 N -0.08 -1.84 -0.08 6.98 0.00 -1.19 -4.67 121.76 120.88 3acp s ALA 98 Ca 0.00 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.29 3acp s ALA 98 Cb 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.72 3acp s ALA 98 CO 0.00 -0.34 0.43 0.54 0.00 0.00 0.00 175.76 176.39 3acp s VAL 99 N -0.94 0.03 0.23 0.00 0.11 -1.26 -0.94 120.40 117.62 3acp s VAL 99 Ca -0.06 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 3acp s VAL 99 Cb -0.01 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3acp s VAL 99 CO 0.05 -0.11 0.34 -0.62 -3.33 0.00 0.00 175.10 171.43 3acp s ASP 100 N -0.69 0.00 0.04 3.54 2.15 -0.69 -4.72 116.67 116.31 3acp s ASP 100 Ca -0.08 -1.11 -0.00 0.00 0.43 0.00 0.00 52.55 51.79 3acp s ASP 100 Cb -0.04 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 3acp s ASP 100 CO 0.04 -1.02 -0.04 0.28 -0.17 0.00 0.00 175.17 174.26 3acp s THR 101 N -4.07 0.24 -0.06 1.71 -1.32 -1.26 -1.09 115.64 109.79 3acp s THR 101 Ca 0.29 -1.43 -0.16 0.00 -1.21 0.00 0.00 61.69 59.19 3acp s THR 101 Cb 0.02 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3acp s THR 101 CO 0.10 -0.76 0.36 0.00 -2.21 0.00 0.00 174.62 172.12 3acp s ALA 102 N -2.78 -0.91 -0.31 11.08 0.00 -0.81 -4.82 121.76 123.21 3acp s ALA 102 Ca -0.03 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 3acp s ALA 102 Cb -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 23.12 23.10 3acp s ALA 102 CO -0.05 -0.24 0.28 0.21 0.00 0.00 0.00 175.76 175.96 3acp s LYS 103 N -0.84 0.37 -0.05 0.00 2.20 -1.26 -0.39 119.74 119.78 3acp s LYS 103 Ca -0.09 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3acp s LYS 103 Cb -0.04 -0.76 -0.01 0.00 -1.51 0.00 0.00 37.83 35.50 3acp s LYS 103 CO 0.04 -1.07 -0.07 1.28 -0.36 0.00 0.00 175.35 175.17 3acp n LEU 104 N 5.05 0.55 0.00 5.43 7.99 -1.26 -4.93 117.00 129.84 3acp n LEU 104 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 3acp n LEU 104 Cb 0.45 -0.60 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 3acp n LEU 104 CO 0.03 -0.47 0.00 1.67 -1.51 0.00 0.00 177.39 177.11 3acp n GLN 105 N -3.00 0.00 -2.78 3.23 7.27 -1.26 -5.00 117.38 115.84 3acp n GLN 105 Ca -0.03 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.67 3acp n GLN 105 Cb 0.10 -0.17 -0.06 0.00 2.41 0.00 0.00 30.24 32.52 3acp n GLN 105 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3acp s MET 106 N -0.36 4.63 0.17 3.69 0.23 -1.26 -5.05 119.30 121.35 3acp s MET 106 Ca 0.00 1.35 -0.29 0.00 -1.03 0.00 0.00 55.69 55.72 3acp s MET 106 Cb 0.00 -2.89 -0.07 0.00 -1.53 0.00 0.00 34.83 30.33 3acp s MET 106 CO 0.00 0.33 0.90 0.50 -2.03 0.00 0.00 175.02 174.72 3acp s ARG 107 N -1.88 4.72 0.16 3.16 3.52 -1.26 -4.32 118.95 123.04 3acp s ARG 107 Ca 0.48 1.38 0.03 0.00 -0.13 0.00 0.00 55.73 57.49 3acp s ARG 107 Cb -0.20 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3acp s ARG 107 CO 0.25 0.41 -0.06 1.03 -0.81 0.00 0.00 175.30 176.12 3acp s ARG 108 N -0.68 1.08 0.00 5.12 0.52 0.48 -2.08 118.95 123.38 3acp s ARG 108 Ca 0.42 -1.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3acp s ARG 108 Cb -0.24 -0.48 -0.01 0.00 0.52 0.00 0.00 34.95 34.73 3acp s ARG 108 CO 0.29 -0.01 -0.14 -0.06 0.02 0.00 0.00 175.30 175.40 3acp s PHE 109 N -3.46 1.27 0.00 -0.53 0.08 -0.67 -1.93 117.98 112.74 3acp s PHE 109 Ca 0.19 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.05 3acp s PHE 109 Cb 0.04 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 3acp s PHE 109 CO 0.02 -0.00 -0.25 0.96 -0.10 0.00 0.00 175.22 175.85 3acp s ILE 110 N -0.48 1.96 0.01 0.64 -4.36 -0.25 -0.42 121.20 118.30 3acp s ILE 110 Ca 0.04 -1.15 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 3acp s ILE 110 Cb -0.06 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 3acp s ILE 110 CO 0.00 0.47 -0.11 -0.76 0.24 0.00 0.00 174.94 174.78 3acp s LEU 111 N -0.79 2.07 0.12 0.37 1.43 -0.50 -1.70 118.68 119.68 3acp s LEU 111 Ca 0.10 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.02 3acp s LEU 111 Cb -0.10 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3acp s LEU 111 CO 0.00 0.09 -0.23 -0.83 0.23 0.00 0.00 176.35 175.62 3acp s GLY 112 N -0.53 1.63 0.34 -3.19 0.00 -0.12 -0.70 107.32 104.75 3acp s GLY 112 Ca 0.03 -1.40 0.10 0.00 0.00 0.00 0.00 44.72 43.44 3acp s GLY 112 CO 0.00 -1.38 -0.09 -0.51 0.00 0.00 0.00 173.10 171.12 3acp s THR 113 N -1.09 2.31 0.64 0.90 -4.23 -0.50 -0.19 115.64 113.48 3acp s THR 113 Ca 0.16 -2.19 0.40 0.00 -1.18 0.00 0.00 61.69 58.88 3acp s THR 113 Cb -0.10 -2.64 0.42 0.00 1.34 0.00 0.00 72.50 71.52 3acp s THR 113 CO 0.08 -0.22 2.34 0.71 -0.54 0.00 0.00 174.62 176.99 3acp h THR 114 N 2.02 0.16 0.00 3.99 1.35 -1.61 -1.71 112.91 117.10 3acp h THR 114 Ca -0.42 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3acp h THR 114 Cb 1.25 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3acp h THR 114 CO 0.69 0.00 -0.71 1.21 -0.25 0.00 0.00 175.52 176.47 3acp n GLU 115 N -3.31 0.03 0.00 4.72 4.07 -1.26 -2.47 120.64 122.41 3acp n GLU 115 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3acp n GLU 115 Cb 0.08 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3acp n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3acp n GLY 116 N 1.49 1.09 3.86 8.31 0.00 -0.97 -4.61 105.19 114.36 3acp n GLY 116 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3acp n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3acp s ASP 117 N -2.00 6.68 -0.09 1.61 1.01 -1.26 -1.14 116.67 121.48 3acp s ASP 117 Ca 0.00 0.86 0.03 0.00 0.71 0.00 0.00 52.55 54.15 3acp s ASP 117 Cb 0.00 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 3acp s ASP 117 CO 0.00 0.15 -0.18 -0.63 0.21 0.00 0.00 175.17 174.72 3acp s ILE 118 N -1.43 2.67 -0.12 0.77 1.01 -0.78 -1.41 121.20 121.92 3acp s ILE 118 Ca 0.35 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3acp s ILE 118 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3acp s ILE 118 CO 0.18 0.56 -0.18 -0.54 0.00 0.00 0.00 174.94 174.96 3acp s LYS 119 N -0.04 3.22 -0.23 2.79 1.02 0.12 -0.73 119.74 125.89 3acp s LYS 119 Ca -0.05 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.05 3acp s LYS 119 Cb -0.14 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 3acp s LYS 119 CO 0.04 0.18 0.22 0.08 -0.92 0.00 0.00 175.35 174.95 3acp s VAL 120 N 0.40 5.33 0.23 3.17 1.01 0.66 -1.41 120.40 129.79 3acp s VAL 120 Ca -0.14 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.26 3acp s VAL 120 Cb -0.17 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3acp s VAL 120 CO 0.06 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 3acp s LEU 121 N 1.04 2.53 0.66 3.92 1.43 0.44 0.36 118.68 129.06 3acp s LEU 121 Ca 0.10 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 3acp s LEU 121 Cb -0.14 -0.97 0.11 0.00 0.03 0.00 0.00 46.19 45.22 3acp s LEU 121 CO 0.05 -0.00 0.91 1.51 0.23 0.00 0.00 176.35 179.04 3acp s ASP 122 N -3.20 4.67 0.51 2.29 1.47 -0.91 -1.67 116.67 119.83 3acp s ASP 122 Ca 0.25 -0.67 0.40 0.00 1.18 0.00 0.00 52.55 53.70 3acp s ASP 122 Cb -0.05 0.25 1.58 0.00 -0.34 0.00 0.00 42.92 44.37 3acp s ASP 122 CO 0.11 -1.65 1.65 -1.28 0.68 0.00 0.00 175.17 174.68 3acp h SER 123 N -0.20 0.09 -0.55 2.11 0.87 -1.78 0.27 113.55 114.36 3acp h SER 123 Ca -0.32 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3acp h SER 123 Cb 1.28 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3acp h SER 123 CO 0.39 -0.05 0.00 0.59 -0.53 0.00 0.00 176.83 177.23 3acp n ASN 124 N -4.24 5.30 -1.91 6.23 5.03 -1.26 -4.94 115.26 119.47 3acp n ASN 124 Ca 0.37 -2.85 -0.20 0.00 0.87 0.00 0.00 54.58 52.77 3acp n ASN 124 Cb 1.61 -0.64 -0.06 0.00 -1.02 0.00 0.00 39.78 39.67 3acp n ASN 124 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3acp n PHE 125 N 0.56 -0.42 -3.31 3.10 3.72 0.94 -4.98 117.46 117.07 3acp n PHE 125 Ca 0.26 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.28 3acp n PHE 125 Cb 1.10 -3.60 -0.06 0.00 -0.94 0.00 0.00 39.48 35.98 3acp n PHE 125 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3acp s ASN 126 N -2.46 6.80 0.19 4.37 0.02 -1.26 -4.71 114.94 117.89 3acp s ASN 126 Ca 0.00 0.95 -0.32 0.00 -1.02 0.00 0.00 52.86 52.47 3acp s ASN 126 Cb 0.00 -2.31 -0.12 0.00 0.02 0.00 0.00 41.25 38.84 3acp s ASN 126 CO 0.00 0.08 1.72 -0.11 0.02 0.00 0.00 177.10 178.82 3acp n LEU 127 N 3.08 3.87 -0.02 0.60 7.94 -1.26 -2.14 117.00 129.06 3acp n LEU 127 Ca -0.08 1.05 -0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3acp n LEU 127 Cb 0.52 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.85 3acp n LEU 127 CO 0.42 0.11 -0.68 0.00 -1.11 0.00 0.00 177.39 176.13 3acp n GLN 128 N 4.15 1.62 -3.64 1.96 6.02 0.16 -4.92 117.38 122.73 3acp n GLN 128 Ca 0.16 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 3acp n GLN 128 Cb 0.34 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.34 3acp n GLN 128 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3acp s ARG 129 N -2.36 0.58 -0.17 -1.09 3.52 -1.01 -4.97 118.95 113.45 3acp s ARG 129 Ca -0.03 0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3acp s ARG 129 Cb 0.04 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3acp s ARG 129 CO 0.33 -0.07 -0.10 -2.00 -0.81 0.00 0.00 175.30 172.64 3acp s GLU 130 N 0.40 3.35 -0.56 5.12 2.12 -1.26 -0.25 118.70 127.62 3acp s GLU 130 Ca 0.01 -0.67 -0.18 0.00 0.36 0.00 0.00 54.97 54.49 3acp s GLU 130 Cb -0.05 -2.77 0.11 0.00 0.26 0.00 0.00 34.13 31.68 3acp s GLU 130 CO -0.06 0.02 0.60 0.42 -0.54 0.00 0.00 175.26 175.70 3acp s ILE 131 N 0.87 5.01 0.32 -3.70 1.01 0.09 -5.01 121.20 119.78 3acp s ILE 131 Ca -0.03 -1.19 -0.26 0.00 0.00 0.00 0.00 60.65 59.17 3acp s ILE 131 Cb -0.15 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 37.82 3acp s ILE 131 CO 0.00 -0.98 0.96 -0.62 0.00 0.00 0.00 174.94 174.30 3acp s ASP 132 N 3.53 7.32 -1.33 3.58 2.15 -1.26 -1.86 116.67 128.79 3acp s ASP 132 Ca 0.08 1.88 -0.09 0.00 0.43 0.00 0.00 52.55 54.85 3acp s ASP 132 Cb -0.26 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.83 3acp s ASP 132 CO 0.05 -0.09 0.52 0.00 -0.17 0.00 0.00 175.17 175.48 3acp n GLN 133 N 0.62 -3.67 -0.32 4.34 6.02 -1.26 -4.83 117.38 118.28 3acp n GLN 133 Ca 0.02 0.54 0.16 0.00 -0.01 0.00 0.00 57.00 57.72 3acp n GLN 133 Cb 0.50 -5.28 0.40 0.00 1.02 0.00 0.00 30.24 26.88 3acp n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3acp h ALA 134 N 0.97 1.91 -2.25 -1.58 0.00 -1.23 -3.41 119.26 113.67 3acp h ALA 134 Ca -0.45 0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.17 3acp h ALA 134 Cb 1.30 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3acp h ALA 134 CO 0.54 -0.27 -0.64 -1.01 0.00 0.00 0.00 179.25 177.86 3acp s HIS 135 N -5.68 1.49 0.04 0.00 3.76 -0.99 -5.04 115.29 108.87 3acp s HIS 135 Ca -0.10 -1.03 -0.23 0.00 -0.15 0.00 0.00 55.06 53.56 3acp s HIS 135 Cb 0.25 -0.87 -0.15 0.00 1.11 0.00 0.00 32.58 32.92 3acp s HIS 135 CO 0.80 -0.17 1.47 0.28 -0.85 0.00 0.00 174.74 176.27 3acp h VAL 136 N 2.48 1.25 -4.75 -0.90 2.07 -1.89 -3.41 116.25 111.09 3acp h VAL 136 Ca -0.38 -0.78 -0.51 0.00 0.82 0.00 0.00 66.70 65.85 3acp h VAL 136 Cb 1.23 1.60 -0.11 0.00 -1.52 0.00 0.00 31.29 32.48 3acp h VAL 136 CO 0.63 0.22 -0.41 -1.54 0.02 0.00 0.00 177.57 176.49 3acp n SER 137 N -4.84 1.96 -3.30 0.57 3.41 -1.26 -4.72 113.62 105.43 3acp n SER 137 Ca -0.06 -2.89 -0.44 0.00 -0.26 0.00 0.00 58.87 55.21 3acp n SER 137 Cb 0.19 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 3acp n SER 137 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3acp n GLU 138 N -0.91 0.00 -2.26 4.33 2.13 -1.03 -4.16 120.64 118.75 3acp n GLU 138 Ca -0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.29 3acp n GLU 138 Cb 0.54 -1.09 -0.02 0.00 0.27 0.00 0.00 31.44 31.14 3acp n GLU 138 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3acp s ILE 139 N 0.54 3.95 -0.14 6.31 -1.09 -0.68 -2.15 121.20 127.94 3acp s ILE 139 Ca 0.68 1.20 0.22 0.00 -2.23 0.00 0.00 60.65 60.53 3acp s ILE 139 Cb -0.96 -3.78 -0.20 0.00 -1.58 0.00 0.00 42.46 35.94 3acp s ILE 139 CO 0.46 -0.08 0.72 0.35 -1.23 0.00 0.00 174.94 175.15 3acp n THR 140 N 5.22 0.24 -3.52 2.92 -2.24 0.17 -4.47 114.28 112.60 3acp n THR 140 Ca 0.15 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3acp n THR 140 Cb 0.44 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 3acp n THR 140 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3acp s LYS 141 N -3.44 0.99 -0.05 -0.78 2.47 -1.24 -4.83 119.74 112.86 3acp s LYS 141 Ca -0.05 0.20 -0.02 0.00 -1.56 0.00 0.00 55.97 54.54 3acp s LYS 141 Cb 0.12 0.47 0.04 0.00 -1.46 0.00 0.00 37.83 37.00 3acp s LYS 141 CO 0.86 -0.32 0.11 -0.51 0.16 0.00 0.00 175.35 175.65 3acp s LEU 142 N -1.27 0.64 -0.03 5.43 1.43 -1.26 -1.80 118.68 121.82 3acp s LEU 142 Ca -0.09 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3acp s LEU 142 Cb -0.00 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.43 3acp s LEU 142 CO 0.07 -0.17 -0.07 -0.54 0.23 0.00 0.00 176.35 175.88 3acp s LYS 143 N 1.40 0.92 0.33 1.70 -0.14 -0.23 -4.31 119.74 119.41 3acp s LYS 143 Ca -0.06 -0.22 -0.28 0.00 -1.36 0.00 0.00 55.97 54.05 3acp s LYS 143 Cb -0.12 -0.87 -0.09 0.00 -1.68 0.00 0.00 37.83 35.07 3acp s LYS 143 CO -0.05 0.03 1.16 -0.06 -0.76 0.00 0.00 175.35 175.68 3acp s PHE 144 N 0.48 3.29 0.73 3.18 0.08 -1.26 -0.58 117.98 123.89 3acp s PHE 144 Ca -0.07 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 3acp s PHE 144 Cb -0.11 -3.40 0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3acp s PHE 144 CO 0.01 -1.08 1.10 -0.06 -0.10 0.00 0.00 175.22 175.09 3acp s PHE 145 N -1.27 2.62 0.65 0.36 0.08 -0.53 -4.92 117.98 114.98 3acp s PHE 145 Ca 0.50 1.55 0.41 0.00 0.12 0.00 0.00 56.93 59.51 3acp s PHE 145 Cb -0.33 -3.08 2.30 0.00 -0.57 0.00 0.00 43.02 41.34 3acp s PHE 145 CO 0.42 -1.73 2.35 -1.35 -0.10 0.00 0.00 175.22 174.81 3acp h PRO 146 N -0.72 0.00 0.00 0.24 0.11 -1.85 -0.84 132.00 128.95 3acp h PRO 146 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3acp h PRO 146 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3acp h PRO 146 CO 0.52 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.97 3acp h SER 147 N 0.00 0.00 0.00 -2.05 4.64 -1.92 -3.46 113.55 110.76 3acp h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3acp h SER 147 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3acp h SER 147 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3acp n GLY 148 N -0.57 0.53 0.41 -0.77 0.00 -0.32 -4.79 105.19 99.68 3acp n GLY 148 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3acp n GLY 148 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3acp n GLU 149 N -2.00 1.62 -4.22 1.61 -0.58 -1.26 -4.88 120.64 110.93 3acp n GLU 149 Ca 0.00 -0.93 -0.13 0.00 -0.42 0.00 0.00 57.16 55.68 3acp n GLU 149 Cb 0.00 -1.26 -0.10 0.00 -0.57 0.00 0.00 31.44 29.51 3acp n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3acp s ALA 150 N -1.69 1.26 0.06 0.62 0.00 -1.26 -1.53 121.76 119.21 3acp s ALA 150 Ca 0.14 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 3acp s ALA 150 Cb 0.12 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3acp s ALA 150 CO 0.34 -0.33 0.21 -0.48 0.00 0.00 0.00 175.76 175.49 3acp s LEU 151 N -3.15 1.33 -0.04 0.00 0.05 -0.33 -1.45 118.68 115.09 3acp s LEU 151 Ca 0.23 -0.46 0.05 0.00 0.05 0.00 0.00 54.13 54.00 3acp s LEU 151 Cb 0.06 1.04 -0.01 0.00 -2.05 0.00 0.00 46.19 45.23 3acp s LEU 151 CO 0.03 -0.63 -0.18 -0.51 -0.55 0.00 0.00 176.35 174.51 3acp s ILE 152 N -3.07 1.47 0.16 1.48 2.07 0.25 -0.06 121.20 123.50 3acp s ILE 152 Ca -0.01 -0.75 0.11 0.00 -1.41 0.00 0.00 60.65 58.59 3acp s ILE 152 Cb 0.01 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.31 3acp s ILE 152 CO -0.07 0.42 -0.25 -0.94 -1.91 0.00 0.00 174.94 172.19 3acp s SER 153 N -0.09 3.41 0.18 4.50 1.04 0.05 -1.07 113.70 121.72 3acp s SER 153 Ca -0.01 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 55.71 3acp s SER 153 Cb -0.11 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 3acp s SER 153 CO 0.02 0.15 -0.16 -0.94 0.98 0.00 0.00 173.24 173.29 3acp s SER 154 N -2.34 2.56 0.14 7.02 1.04 -0.75 -1.11 113.70 120.27 3acp s SER 154 Ca 0.17 -0.92 -0.14 0.00 0.48 0.00 0.00 55.95 55.54 3acp s SER 154 Cb -0.09 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.91 3acp s SER 154 CO 0.08 -0.10 0.38 -0.55 0.98 0.00 0.00 173.24 174.02 3acp s SER 155 N -2.92 -0.14 0.63 7.02 0.15 -1.11 -0.65 113.70 116.68 3acp s SER 155 Ca 0.18 -0.50 0.37 0.00 0.70 0.00 0.00 55.95 56.69 3acp s SER 155 Cb -0.04 0.47 2.07 0.00 -1.71 0.00 0.00 66.02 66.82 3acp s SER 155 CO 0.06 -0.89 2.26 1.56 1.20 0.00 0.00 173.24 177.43 3acp h GLN 156 N 2.41 0.00 0.00 5.44 4.20 -1.66 -2.01 115.11 123.49 3acp h GLN 156 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3acp h GLN 156 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3acp h GLN 156 CO 0.46 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.22 3acp n ASP 157 N -3.39 0.00 0.00 1.46 5.68 -1.26 -4.15 116.55 114.89 3acp n ASP 157 Ca -0.02 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 3acp n ASP 157 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3acp n ASP 157 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3acp n MET 158 N -0.59 -0.86 -4.35 0.11 2.81 -0.97 -5.00 117.12 108.28 3acp n MET 158 Ca 0.03 0.21 -0.24 0.00 -1.81 0.00 0.00 57.70 55.89 3acp n MET 158 Cb 0.01 -3.88 -0.08 0.00 -0.71 0.00 0.00 33.22 28.56 3acp n MET 158 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3acp s GLN 159 N -0.88 2.06 0.09 0.03 -0.21 -1.26 -4.11 119.66 115.38 3acp s GLN 159 Ca 0.00 -1.50 0.08 0.00 0.02 0.00 0.00 55.36 53.96 3acp s GLN 159 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3acp s GLN 159 CO 0.00 0.37 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.86 3acp s LEU 160 N -3.46 2.74 -0.02 2.90 1.02 -0.98 -2.76 118.68 118.11 3acp s LEU 160 Ca 0.30 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.98 3acp s LEU 160 Cb -0.06 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.57 3acp s LEU 160 CO 0.17 0.20 -0.06 -0.54 0.02 0.00 0.00 176.35 176.15 3acp s LYS 161 N -1.94 0.69 -0.24 1.70 1.02 -0.27 -0.38 119.74 120.33 3acp s LYS 161 Ca 0.17 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 55.87 3acp s LYS 161 Cb -0.11 -0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 3acp s LYS 161 CO 0.09 0.05 0.16 0.42 -0.92 0.00 0.00 175.35 175.16 3acp s ILE 162 N 0.32 5.36 0.07 2.17 1.01 -0.03 -0.77 121.20 129.33 3acp s ILE 162 Ca -0.04 0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.88 3acp s ILE 162 Cb -0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3acp s ILE 162 CO 0.00 0.35 -0.15 0.26 0.00 0.00 0.00 174.94 175.40 3acp s TRP 163 N 1.02 2.62 -0.03 3.97 0.52 0.91 -2.91 118.94 125.04 3acp s TRP 163 Ca 0.08 -0.21 -0.17 0.00 0.02 0.00 0.00 56.10 55.81 3acp s TRP 163 Cb -0.13 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 3acp s TRP 163 CO 0.04 0.33 0.47 0.45 0.02 0.00 0.00 176.95 178.27 3acp s SER 164 N -1.76 6.82 0.40 2.95 0.15 -0.12 -1.19 113.70 120.95 3acp s SER 164 Ca 0.17 0.97 0.28 0.00 0.70 0.00 0.00 55.95 58.07 3acp s SER 164 Cb -0.11 -2.29 1.01 0.00 -1.71 0.00 0.00 66.02 62.93 3acp s SER 164 CO 0.08 0.18 1.82 0.58 1.20 0.00 0.00 173.24 177.10 3acp h VAL 165 N 4.08 0.00 0.12 4.45 2.07 -1.62 -1.74 116.25 123.61 3acp h VAL 165 Ca -0.47 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3acp h VAL 165 Cb 1.20 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3acp h VAL 165 CO 0.68 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 178.71 3acp h LYS 166 N 0.00 -0.15 0.00 1.57 3.11 -1.94 -3.40 116.57 115.76 3acp h LYS 166 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3acp h LYS 166 Cb 0.58 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 3acp h LYS 166 CO 0.00 0.19 0.00 -0.40 -2.81 0.00 0.00 179.45 176.43 3acp n ASP 167 N -5.00 0.16 -0.31 4.20 5.68 -1.25 -5.01 116.55 115.02 3acp n ASP 167 Ca -0.09 -0.83 -0.04 0.00 -0.50 0.00 0.00 54.79 53.34 3acp n ASP 167 Cb 0.22 0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.23 3acp n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3acp n GLY 168 N 0.04 0.51 3.80 6.12 0.00 -0.65 -5.03 105.19 109.98 3acp n GLY 168 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3acp n GLY 168 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3acp s SER 169 N -2.92 5.57 -0.63 1.61 0.15 -1.25 -4.75 113.70 111.46 3acp s SER 169 Ca 0.00 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.50 3acp s SER 169 Cb 0.00 -2.53 0.24 0.00 -1.71 0.00 0.00 66.02 62.02 3acp s SER 169 CO 0.00 -1.32 0.70 -3.20 1.20 0.00 0.00 173.24 170.62 3acp n ASN 170 N -2.38 3.44 0.19 5.45 5.15 -1.26 -0.94 115.26 124.91 3acp n ASN 170 Ca 0.09 -3.37 0.14 0.00 -0.60 0.00 0.00 54.58 50.84 3acp n ASN 170 Cb 0.53 -0.68 0.61 0.00 -0.53 0.00 0.00 39.78 39.71 3acp n ASN 170 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3acp h PRO 171 N 4.35 0.00 -3.15 1.20 0.13 -1.92 -3.44 132.00 129.17 3acp h PRO 171 Ca 0.19 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.13 3acp h PRO 171 Cb 0.69 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.54 3acp h PRO 171 CO 0.80 0.00 -0.49 1.03 -0.23 0.00 0.00 178.00 179.11 3acp s ARG 172 N -3.50 0.22 -0.11 0.86 1.81 -1.25 -5.03 118.95 111.95 3acp s ARG 172 Ca 0.02 0.39 -0.01 0.00 -1.72 0.00 0.00 55.73 54.41 3acp s ARG 172 Cb 0.09 0.00 0.03 0.00 -0.45 0.00 0.00 34.95 34.62 3acp s ARG 172 CO 0.41 -0.09 -0.07 0.99 -0.68 0.00 0.00 175.30 175.87 3acp s THR 173 N 0.64 0.97 -0.42 0.02 2.01 -1.26 -0.85 115.64 116.75 3acp s THR 173 Ca -0.04 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 3acp s THR 173 Cb -0.06 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.46 3acp s THR 173 CO -0.04 0.33 0.46 -0.76 -0.69 0.00 0.00 174.62 173.93 3acp s LEU 174 N 1.73 4.78 0.11 4.42 1.43 0.49 -4.97 118.68 126.66 3acp s LEU 174 Ca 0.05 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3acp s LEU 174 Cb -0.13 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3acp s LEU 174 CO -0.08 -0.59 -0.14 0.27 0.23 0.00 0.00 176.35 176.04 3acp s ILE 175 N 2.22 3.09 0.00 -0.59 -4.36 -1.26 -2.32 121.20 117.97 3acp s ILE 175 Ca 0.13 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3acp s ILE 175 Cb -0.17 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3acp s ILE 175 CO 0.14 0.12 0.00 0.61 0.24 0.00 0.00 174.94 176.05 3acp n GLY 176 N 0.81 1.17 3.77 6.27 0.00 -1.26 -4.90 105.19 111.06 3acp n GLY 176 Ca -0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3acp n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3acp s HIS 177 N 0.00 2.63 -2.53 1.61 3.76 -1.26 -4.94 115.29 114.56 3acp s HIS 177 Ca 0.00 1.23 0.22 0.00 -0.15 0.00 0.00 55.06 56.36 3acp s HIS 177 Cb 0.00 -3.94 0.12 0.00 1.11 0.00 0.00 32.58 29.87 3acp s HIS 177 CO 0.00 -2.79 1.16 0.54 -0.85 0.00 0.00 174.74 172.79 3acp n ARG 178 N 0.36 1.88 -3.54 1.40 1.74 -1.26 -4.88 116.66 112.35 3acp n ARG 178 Ca 0.02 -1.58 -0.12 0.00 -0.77 0.00 0.00 57.85 55.40 3acp n ARG 178 Cb 0.40 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3acp n ARG 178 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3acp n ALA 179 N 0.89 -0.31 -1.49 7.54 0.00 -1.26 -4.90 120.51 120.97 3acp n ALA 179 Ca 0.12 -1.33 -0.58 0.00 0.00 0.00 0.00 53.44 51.66 3acp n ALA 179 Cb 0.52 1.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.97 3acp n ALA 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3acp n THR 180 N -0.47 0.25 -2.90 0.00 -1.04 -1.26 -4.36 114.28 104.49 3acp n THR 180 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 3acp n THR 180 Cb 0.48 -0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 3acp n THR 180 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3acp s VAL 181 N -0.13 4.80 -0.11 12.58 1.01 -0.80 -1.78 120.40 135.99 3acp s VAL 181 Ca 0.88 1.41 0.21 0.00 0.00 0.00 0.00 61.98 64.47 3acp s VAL 181 Cb -1.23 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 30.78 3acp s VAL 181 CO 0.57 -0.17 0.55 0.35 0.00 0.00 0.00 175.10 176.40 3acp n THR 182 N 5.41 0.52 -3.52 3.92 -2.24 -0.33 -3.98 114.28 114.06 3acp n THR 182 Ca 0.05 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 3acp n THR 182 Cb 0.48 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3acp n THR 182 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3acp s ASP 183 N -5.02 -0.50 -0.04 3.42 -1.08 -1.22 -4.69 116.67 107.55 3acp s ASP 183 Ca -0.06 -0.14 -0.03 0.00 -0.52 0.00 0.00 52.55 51.79 3acp s ASP 183 Cb 0.11 0.63 0.01 0.00 -1.46 0.00 0.00 42.92 42.21 3acp s ASP 183 CO 0.86 -1.06 0.11 -0.63 0.52 0.00 0.00 175.17 174.97 3acp s ILE 184 N -3.79 -0.01 -0.02 4.11 1.01 -1.26 -1.08 121.20 120.16 3acp s ILE 184 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3acp s ILE 184 Cb -0.02 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.29 3acp s ILE 184 CO -0.08 0.01 -0.09 0.00 0.00 0.00 0.00 174.94 174.78 3acp s ALA 185 N 0.21 0.84 -0.20 9.38 0.00 -0.41 -4.98 121.76 126.60 3acp s ALA 185 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3acp s ALA 185 Cb -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3acp s ALA 185 CO -0.01 0.15 0.19 0.42 0.00 0.00 0.00 175.76 176.51 3acp s ILE 186 N 0.12 5.36 -0.34 0.00 1.01 -1.26 -1.03 121.20 125.06 3acp s ILE 186 Ca -0.02 0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 3acp s ILE 186 Cb -0.08 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3acp s ILE 186 CO 0.00 0.39 0.70 -0.63 0.00 0.00 0.00 174.94 175.41 3acp s ILE 187 N 0.61 4.84 0.00 2.92 1.01 -1.02 -4.87 121.20 124.69 3acp s ILE 187 Ca 0.10 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.60 3acp s ILE 187 Cb -0.12 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3acp s ILE 187 CO 0.01 -0.29 0.00 0.47 0.00 0.00 0.00 174.94 175.14 3acp n ASP 188 N 6.13 0.00 0.02 3.58 8.00 -1.26 -0.08 116.55 132.93 3acp n ASP 188 Ca 0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.64 3acp n ASP 188 Cb 0.48 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.15 3acp n ASP 188 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3acp n ARG 189 N 14.00 0.04 0.00 -1.24 1.74 -1.26 -4.73 116.66 125.21 3acp n ARG 189 Ca 0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3acp n ARG 189 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3acp n ARG 189 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3acp n GLY 190 N 1.32 1.02 0.31 -0.13 0.00 0.88 -4.48 105.19 104.11 3acp n GLY 190 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3acp n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3acp h ARG 191 N 3.84 0.54 -6.02 1.61 3.08 -1.89 -3.38 114.38 112.17 3acp h ARG 191 Ca 0.00 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.35 3acp h ARG 191 Cb 0.00 -0.12 -0.13 0.00 0.08 0.00 0.00 29.97 29.80 3acp h ARG 191 CO 0.00 0.37 -0.61 -0.80 -1.07 0.00 0.00 179.97 177.86 3acp s ASN 192 N -6.68 5.37 0.21 7.04 0.01 -1.26 -1.07 114.94 118.56 3acp s ASN 192 Ca -0.08 0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.23 3acp s ASN 192 Cb 0.17 -1.50 -0.05 0.00 0.41 0.00 0.00 41.25 40.28 3acp s ASN 192 CO 0.73 0.32 -0.05 0.68 -1.51 0.00 0.00 177.10 177.28 3acp s VAL 193 N -1.04 1.20 0.00 1.60 -7.23 -0.97 -2.44 120.40 111.53 3acp s VAL 193 Ca 0.18 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.36 3acp s VAL 193 Cb -0.12 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 3acp s VAL 193 CO 0.08 -0.46 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.42 3acp s LEU 194 N -3.29 2.09 0.02 1.32 1.43 -0.20 -0.57 118.68 119.49 3acp s LEU 194 Ca 0.25 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3acp s LEU 194 Cb 0.04 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3acp s LEU 194 CO 0.07 0.27 -0.16 -0.94 0.23 0.00 0.00 176.35 175.82 3acp s SER 195 N -0.78 1.85 0.21 2.29 1.04 -0.52 -1.28 113.70 116.52 3acp s SER 195 Ca 0.09 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.19 3acp s SER 195 Cb -0.09 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3acp s SER 195 CO 0.00 0.11 0.05 0.00 0.98 0.00 0.00 173.24 174.38 3acp s ALA 196 N -0.68 3.29 0.02 5.32 0.00 -0.24 -1.41 121.76 128.07 3acp s ALA 196 Ca 0.04 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 3acp s ALA 196 Cb -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.06 3acp s ALA 196 CO 0.01 0.38 0.44 0.45 0.00 0.00 0.00 175.76 177.04 3acp s SER 197 N -3.32 -0.33 0.00 0.00 0.15 -0.92 -1.18 113.70 108.11 3acp s SER 197 Ca 0.30 0.14 0.07 0.00 0.70 0.00 0.00 55.95 57.16 3acp s SER 197 Cb -0.08 0.42 0.31 0.00 -1.71 0.00 0.00 66.02 64.96 3acp s SER 197 CO 0.21 -0.61 1.14 0.18 1.20 0.00 0.00 173.24 175.36 3acp n LEU 198 N 0.74 0.00 0.00 3.45 4.77 -0.73 -1.13 117.00 124.10 3acp n LEU 198 Ca -0.19 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 3acp n LEU 198 Cb 0.58 -0.39 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 3acp n LEU 198 CO 0.21 -0.30 0.88 -0.90 -1.33 0.00 0.00 177.39 175.94 3acp n ASP 199 N -1.39 0.00 0.00 -1.43 5.68 -1.26 -4.03 116.55 114.12 3acp n ASP 199 Ca 0.02 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 3acp n ASP 199 Cb 0.07 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 3acp n ASP 199 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3acp n GLY 200 N 0.65 0.72 3.65 6.12 0.00 -0.74 -4.63 105.19 110.95 3acp n GLY 200 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3acp n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3acp s THR 201 N -2.32 3.80 -0.25 2.61 -4.23 -1.25 -4.41 115.64 109.59 3acp s THR 201 Ca 0.00 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3acp s THR 201 Cb 0.00 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.07 3acp s THR 201 CO 0.00 0.08 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.43 3acp s ILE 202 N -1.35 2.36 -0.13 2.99 1.09 0.14 -2.16 121.20 124.14 3acp s ILE 202 Ca 0.25 -1.43 -0.12 0.00 -1.10 0.00 0.00 60.65 58.25 3acp s ILE 202 Cb -0.11 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 3acp s ILE 202 CO 0.17 0.07 0.27 -0.13 -0.10 0.00 0.00 174.94 175.22 3acp s ARG 203 N 1.18 4.02 -0.24 2.79 0.52 -0.50 -0.00 118.95 126.72 3acp s ARG 203 Ca -0.05 0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 3acp s ARG 203 Cb -0.19 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3acp s ARG 203 CO -0.06 0.44 0.35 -1.17 0.02 0.00 0.00 175.30 174.88 3acp s LEU 204 N -0.13 4.08 0.09 2.53 2.96 0.14 -1.44 118.68 126.92 3acp s LEU 204 Ca 0.17 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.48 3acp s LEU 204 Cb -0.13 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3acp s LEU 204 CO 0.05 -0.11 -0.15 0.26 -1.32 0.00 0.00 176.35 175.08 3acp s TRP 205 N 1.69 2.63 -0.15 5.38 0.52 0.27 -0.66 118.94 128.61 3acp s TRP 205 Ca 0.15 -0.21 -0.06 0.00 0.02 0.00 0.00 56.10 56.00 3acp s TRP 205 Cb -0.15 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3acp s TRP 205 CO 0.09 0.37 0.04 -2.00 0.02 0.00 0.00 176.95 175.46 3acp s GLU 206 N -1.97 3.69 -0.02 4.98 -6.30 -0.28 -2.28 118.70 116.51 3acp s GLU 206 Ca 0.18 -0.37 -0.02 0.00 -2.50 0.00 0.00 54.97 52.26 3acp s GLU 206 Cb -0.11 -3.07 -0.27 0.00 0.00 0.00 0.00 34.13 30.68 3acp s GLU 206 CO 0.10 0.39 0.78 0.00 0.02 0.00 0.00 175.26 176.55 3acp h GLY 208 N 1.83 0.67 0.99 0.00 0.00 -1.95 -2.68 103.07 101.95 3acp h GLY 208 Ca -0.27 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3acp h GLY 208 CO 0.14 -0.12 -0.88 -0.37 0.00 0.00 0.00 176.54 175.30 3acp n THR 209 N -5.17 0.47 -1.67 4.70 5.66 -1.25 -4.98 114.28 112.05 3acp n THR 209 Ca 0.08 -0.42 -0.16 0.00 -3.05 0.00 0.00 64.05 60.50 3acp n THR 209 Cb 0.30 -0.20 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 3acp n THR 209 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3acp n GLY 210 N 1.26 1.11 3.66 1.09 0.00 -0.18 -5.01 105.19 107.12 3acp n GLY 210 Ca 0.01 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3acp n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3acp s THR 211 N -2.63 3.63 -0.22 2.61 -4.23 -1.12 -4.66 115.64 109.01 3acp s THR 211 Ca 0.00 -1.63 -0.27 0.00 -1.18 0.00 0.00 61.69 58.60 3acp s THR 211 Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3acp s THR 211 CO 0.00 -0.23 0.95 -0.89 -0.54 0.00 0.00 174.62 173.91 3acp s THR 212 N -1.99 4.75 -1.16 3.99 2.01 -1.26 -1.13 115.64 120.85 3acp s THR 212 Ca 0.29 1.85 0.21 0.00 0.31 0.00 0.00 61.69 64.35 3acp s THR 212 Cb -0.08 -4.23 -0.19 0.00 0.01 0.00 0.00 72.50 68.01 3acp s THR 212 CO 0.19 -0.12 0.95 2.30 -0.69 0.00 0.00 174.62 177.26 3acp n ILE 213 N 5.21 0.00 -3.61 1.82 -5.35 0.16 -4.97 119.36 112.61 3acp n ILE 213 Ca 0.09 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.43 3acp n ILE 213 Cb 0.47 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 3acp n ILE 213 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3acp s HIS 214 N -2.92 -0.47 -0.18 4.28 5.04 -1.18 -5.00 115.29 114.86 3acp s HIS 214 Ca 0.10 1.05 0.01 0.00 -1.54 0.00 0.00 55.06 54.68 3acp s HIS 214 Cb 0.16 0.38 0.02 0.00 0.04 0.00 0.00 32.58 33.19 3acp s HIS 214 CO 0.82 -0.29 -0.19 0.99 -2.34 0.00 0.00 174.74 173.73 3acp s THR 215 N -0.23 1.99 0.16 0.89 2.01 -1.26 0.24 115.64 119.44 3acp s THR 215 Ca 0.01 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 3acp s THR 215 Cb -0.03 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3acp s THR 215 CO -0.03 0.50 0.34 -0.36 -0.69 0.00 0.00 174.62 174.38 3acp s PHE 216 N 1.31 3.49 0.30 4.92 0.08 1.00 -4.94 117.98 124.13 3acp s PHE 216 Ca 0.04 0.32 -0.20 0.00 0.12 0.00 0.00 56.93 57.21 3acp s PHE 216 Cb -0.13 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3acp s PHE 216 CO -0.12 0.45 0.74 0.54 -0.10 0.00 0.00 175.22 176.73 3acp s ASN 217 N -2.95 -0.20 0.06 1.36 2.20 -1.26 -0.69 114.94 113.46 3acp s ASN 217 Ca 0.37 -0.71 -0.32 0.00 -0.94 0.00 0.00 52.86 51.27 3acp s ASN 217 Cb -0.12 0.75 -0.11 0.00 -2.00 0.00 0.00 41.25 39.77 3acp s ASN 217 CO 0.28 -1.41 1.86 -1.14 -2.94 0.00 0.00 177.10 173.76 3acp n ARG 218 N -0.48 2.63 0.03 3.55 0.63 -1.26 -4.90 116.66 116.88 3acp n ARG 218 Ca -0.05 0.96 -0.01 0.00 -0.92 0.00 0.00 57.85 57.83 3acp n ARG 218 Cb 0.59 -2.85 0.28 0.00 0.45 0.00 0.00 32.46 30.93 3acp n ARG 218 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3acp h LYS 219 N 9.01 0.44 0.00 -0.14 3.64 -1.99 -2.70 116.57 124.83 3acp h LYS 219 Ca -0.48 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 58.68 3acp h LYS 219 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3acp h LYS 219 CO 0.94 0.57 -0.48 0.93 -2.27 0.00 0.00 179.45 179.15 3acp h GLU 220 N 0.40 0.00 -1.18 1.90 5.08 -2.04 -3.41 114.58 115.33 3acp h GLU 220 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3acp h GLU 220 Cb 0.49 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.52 3acp h GLU 220 CO 0.03 0.48 -0.49 1.21 -1.00 0.00 0.00 179.01 179.24 3acp s ASN 221 N -6.48 -1.04 0.00 1.42 2.47 -1.04 -5.02 114.94 105.24 3acp s ASN 221 Ca 0.01 -0.85 0.00 0.00 0.42 0.00 0.00 52.86 52.44 3acp s ASN 221 Cb 0.10 1.71 0.00 0.00 -1.45 0.00 0.00 41.25 41.61 3acp s ASN 221 CO 0.72 -0.20 0.90 -2.65 -3.72 0.00 0.00 177.10 172.15 3acp n PRO 222 N 4.47 0.00 -0.08 0.43 -0.02 -1.07 -1.67 135.00 137.06 3acp n PRO 222 Ca 0.10 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3acp n PRO 222 Cb 0.55 -1.54 0.14 0.00 -0.02 0.00 0.00 33.50 32.63 3acp n PRO 222 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3acp n HIS 223 N -1.40 0.22 -2.25 6.00 8.25 -1.26 -4.43 115.22 120.35 3acp n HIS 223 Ca 0.00 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 3acp n HIS 223 Cb 0.04 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 3acp n HIS 223 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3acp s ASP 224 N -1.62 6.09 0.67 0.41 -1.08 -0.67 -4.43 116.67 116.03 3acp s ASP 224 Ca 0.30 0.78 -0.17 0.00 -0.52 0.00 0.00 52.55 52.94 3acp s ASP 224 Cb 0.19 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 39.12 3acp s ASP 224 CO 0.28 -1.64 1.26 0.61 0.52 0.00 0.00 175.17 176.20 3acp n GLY 225 N 5.26 0.43 3.47 2.66 0.00 -1.26 -4.23 105.19 111.52 3acp n GLY 225 Ca 0.18 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3acp n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3acp s VAL 226 N -1.48 4.08 -0.12 1.61 1.01 -0.28 -0.73 120.40 124.49 3acp s VAL 226 Ca 0.81 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3acp s VAL 226 Cb -0.37 -2.85 -0.24 0.00 0.00 0.00 0.00 36.38 32.92 3acp s VAL 226 CO 0.42 0.42 0.38 0.59 0.00 0.00 0.00 175.10 176.91 3acp n ASN 227 N 4.20 1.16 -3.82 3.32 5.03 0.51 -3.81 115.26 121.86 3acp n ASN 227 Ca -0.17 0.22 -0.12 0.00 0.87 0.00 0.00 54.58 55.38 3acp n ASN 227 Cb 0.52 -0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 39.07 3acp n ASN 227 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3acp s SER 228 N -6.28 -0.09 0.06 6.41 0.15 -1.19 -4.64 113.70 108.11 3acp s SER 228 Ca -0.14 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.51 3acp s SER 228 Cb 0.07 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 3acp s SER 228 CO 0.79 -0.37 -0.05 0.27 1.20 0.00 0.00 173.24 175.07 3acp s ILE 229 N -1.19 0.43 -0.06 6.45 -4.36 -1.26 -0.63 121.20 120.59 3acp s ILE 229 Ca -0.13 -1.46 -0.07 0.00 -0.26 0.00 0.00 60.65 58.73 3acp s ILE 229 Cb -0.06 -1.06 0.02 0.00 1.25 0.00 0.00 42.46 42.61 3acp s ILE 229 CO 0.03 -0.69 0.19 0.00 0.24 0.00 0.00 174.94 174.71 3acp s ALA 230 N -2.62 -0.47 -0.08 2.27 0.00 -0.02 -4.92 121.76 115.91 3acp s ALA 230 Ca -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 3acp s ALA 230 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3acp s ALA 230 CO -0.04 -0.12 0.09 -1.17 0.00 0.00 0.00 175.76 174.53 3acp s LEU 231 N -0.17 4.06 0.13 0.00 2.96 -1.26 -0.29 118.68 124.11 3acp s LEU 231 Ca -0.03 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3acp s LEU 231 Cb -0.02 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3acp s LEU 231 CO 0.01 0.37 0.08 0.72 -1.32 0.00 0.00 176.35 176.20 3acp s PHE 232 N -1.03 0.80 -0.26 5.38 -0.71 -0.28 -4.98 117.98 116.90 3acp s PHE 232 Ca 0.17 -1.18 -0.10 0.00 -1.04 0.00 0.00 56.93 54.78 3acp s PHE 232 Cb -0.12 -0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.21 3acp s PHE 232 CO 0.06 -0.53 0.15 0.08 -1.34 0.00 0.00 175.22 173.64 3acp s VAL 233 N -4.03 5.09 0.11 -2.49 1.01 -1.26 -0.78 120.40 118.03 3acp s VAL 233 Ca 0.23 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.16 3acp s VAL 233 Cb 0.07 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 3acp s VAL 233 CO 0.01 0.31 1.40 1.23 0.00 0.00 0.00 175.10 178.05 3acp h GLY 234 N 7.98 0.84 -5.10 4.51 0.00 -1.00 -3.45 103.07 106.86 3acp h GLY 234 Ca -0.37 -0.94 -0.16 0.00 0.00 0.00 0.00 47.33 45.87 3acp h GLY 234 CO 0.60 0.84 -0.48 -1.08 0.00 0.00 0.00 176.54 176.42 3acp s THR 235 N -4.20 0.04 -0.40 4.70 -1.32 -1.26 -5.08 115.64 108.12 3acp s THR 235 Ca -0.12 -0.29 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 3acp s THR 235 Cb 0.09 -0.35 0.43 0.00 -1.51 0.00 0.00 72.50 71.15 3acp s THR 235 CO 0.86 -0.16 1.82 -0.90 -2.21 0.00 0.00 174.62 174.03 3acp n ASP 236 N 2.29 5.02 -3.54 8.08 5.75 -1.26 -4.87 116.55 128.02 3acp n ASP 236 Ca -0.17 -3.29 -0.14 0.00 -0.01 0.00 0.00 54.79 51.19 3acp n ASP 236 Cb 0.57 -0.86 -0.05 0.00 -1.03 0.00 0.00 41.12 39.75 3acp n ASP 236 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3acp s ARG 237 N -2.59 0.85 -0.12 0.11 1.70 -1.26 -4.97 118.95 112.67 3acp s ARG 237 Ca 0.44 0.14 -0.06 0.00 -0.47 0.00 0.00 55.73 55.78 3acp s ARG 237 Cb 0.36 0.40 0.05 0.00 -0.57 0.00 0.00 34.95 35.19 3acp s ARG 237 CO 0.04 -0.28 0.28 -1.14 -1.08 0.00 0.00 175.30 173.13 3acp s GLN 238 N -1.39 0.25 0.36 3.89 0.74 -1.26 -5.01 119.66 117.23 3acp s GLN 238 Ca -0.05 0.60 -0.21 0.00 0.05 0.00 0.00 55.36 55.75 3acp s GLN 238 Cb -0.00 -0.09 -0.10 0.00 1.10 0.00 0.00 33.01 33.91 3acp s GLN 238 CO 0.04 -0.17 0.88 -0.51 -0.55 0.00 0.00 175.29 174.98 3acp s LEU 239 N 1.36 4.10 -0.78 3.68 1.02 -1.26 -2.34 118.68 124.45 3acp s LEU 239 Ca -0.09 1.60 -0.01 0.00 0.02 0.00 0.00 54.13 55.66 3acp s LEU 239 Cb -0.10 -4.22 -0.00 0.00 0.02 0.00 0.00 46.19 41.89 3acp s LEU 239 CO -0.10 -0.22 0.68 0.00 0.02 0.00 0.00 176.35 176.73 3acp n HIS 240 N -0.16 -2.67 -3.79 0.29 1.44 -1.26 -4.62 115.22 104.45 3acp n HIS 240 Ca 0.04 1.02 -0.13 0.00 -2.01 0.00 0.00 57.72 56.65 3acp n HIS 240 Cb 0.53 -3.70 -0.12 0.00 0.12 0.00 0.00 29.99 26.81 3acp n HIS 240 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 3acp s GLU 241 N -3.69 0.22 0.00 -1.40 2.12 -1.26 -5.07 118.70 109.61 3acp s GLU 241 Ca 0.02 0.30 0.28 0.00 0.36 0.00 0.00 54.97 55.93 3acp s GLU 241 Cb -0.01 0.07 1.03 0.00 0.26 0.00 0.00 34.13 35.49 3acp s GLU 241 CO 0.80 -0.05 1.77 1.51 -0.54 0.00 0.00 175.26 178.75 3acp n ILE 242 N 3.16 0.00 -4.23 -3.70 0.13 -0.99 -4.87 119.36 108.86 3acp n ILE 242 Ca -0.14 -0.01 -0.13 0.00 -1.10 0.00 0.00 62.75 61.37 3acp n ILE 242 Cb 0.58 -0.22 -0.10 0.00 -0.84 0.00 0.00 39.64 39.06 3acp n ILE 242 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 3acp s SER 243 N -2.91 0.47 0.21 9.51 0.15 -1.26 -5.06 113.70 114.80 3acp s SER 243 Ca 0.16 -1.37 -0.05 0.00 0.70 0.00 0.00 55.95 55.38 3acp s SER 243 Cb 0.19 0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 64.75 3acp s SER 243 CO 0.57 -0.80 0.46 0.42 1.20 0.00 0.00 173.24 175.09 3acp s THR 244 N -4.03 5.09 0.07 6.45 -4.23 -1.26 -4.78 115.64 112.94 3acp s THR 244 Ca 0.37 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 3acp s THR 244 Cb 0.07 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3acp s THR 244 CO 0.12 -0.11 -0.05 -0.55 -0.54 0.00 0.00 174.62 173.48 3acp s SER 245 N -2.73 0.80 0.00 3.99 0.15 -1.26 -5.23 113.70 109.42 3acp s SER 245 Ca 0.43 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.20 3acp s SER 245 Cb -0.11 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3acp s SER 245 CO 0.26 -0.45 0.00 2.29 1.20 0.00 0.00 173.24 176.54 3acp n LYS 246 N 0.41 2.24 -3.24 5.44 -0.00 -1.26 -5.05 118.16 116.70 3acp n LYS 246 Ca -0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.05 3acp n LYS 246 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.59 3acp n LYS 246 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3acp n LYS 247 N -0.24 0.33 -4.42 -1.58 4.81 -1.26 -5.19 118.16 110.62 3acp n LYS 247 Ca 0.00 -1.91 -0.34 0.00 -0.87 0.00 0.00 58.31 55.19 3acp n LYS 247 Cb 0.00 1.68 -0.12 0.00 0.02 0.00 0.00 35.03 36.61 3acp n LYS 247 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3acp s ASN 248 N -2.40 4.81 0.21 3.14 0.02 -1.26 -5.07 114.94 114.39 3acp s ASN 248 Ca 0.22 -0.11 -0.31 0.00 -1.02 0.00 0.00 52.86 51.64 3acp s ASN 248 Cb 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 41.25 39.44 3acp s ASN 248 CO 0.15 0.19 1.54 0.21 0.02 0.00 0.00 177.10 179.22 3acp s ASN 249 N 0.22 6.57 -1.38 -1.22 3.84 -1.26 -2.91 114.94 118.79 3acp s ASN 249 Ca -0.02 2.69 0.00 0.00 0.21 0.00 0.00 52.86 55.74 3acp s ASN 249 Cb -0.14 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3acp s ASN 249 CO 0.03 -0.81 0.00 0.18 -2.79 0.00 0.00 177.10 173.71 3acp n LEU 250 N 3.24 -1.19 -4.58 3.21 4.32 -1.26 -5.00 117.00 115.75 3acp n LEU 250 Ca 0.11 0.24 -0.34 0.00 -0.02 0.00 0.00 56.01 56.00 3acp n LEU 250 Cb 0.39 -2.08 -0.11 0.00 -1.62 0.00 0.00 43.42 40.00 3acp n LEU 250 CO 0.62 -0.55 -0.32 -1.61 -1.22 0.00 0.00 177.39 174.30 3acp s GLU 251 N -3.62 3.48 -0.32 3.23 2.02 -1.15 -4.74 118.70 117.61 3acp s GLU 251 Ca 0.00 -0.46 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 3acp s GLU 251 Cb 0.00 -2.91 0.10 0.00 0.10 0.00 0.00 34.13 31.42 3acp s GLU 251 CO 0.00 0.40 0.11 -0.06 0.02 0.00 0.00 175.26 175.73 3acp s PHE 252 N -0.05 1.73 0.00 1.61 0.08 -1.26 -4.78 117.98 115.31 3acp s PHE 252 Ca 0.03 -1.81 0.00 0.00 0.12 0.00 0.00 56.93 55.27 3acp s PHE 252 Cb -0.13 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3acp s PHE 252 CO 0.02 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 3acp n GLY 253 N 4.71 0.48 0.11 4.36 0.00 -1.26 -4.57 105.19 109.02 3acp n GLY 253 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3acp n GLY 253 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3acp h THR 254 N 0.00 1.32 -2.56 2.61 1.35 -1.96 -3.44 112.91 110.23 3acp h THR 254 Ca 0.00 -2.71 -0.54 0.00 -0.55 0.00 0.00 66.41 62.60 3acp h THR 254 Cb 0.19 2.55 0.06 0.00 -1.73 0.00 0.00 68.15 69.22 3acp h THR 254 CO 0.00 0.72 0.92 0.00 -0.25 0.00 0.00 175.52 176.91 3acp n TYR 255 N -3.37 2.58 -0.98 4.73 9.36 -1.26 -0.91 117.16 127.31 3acp n TYR 255 Ca 0.01 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.36 3acp n TYR 255 Cb 0.80 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 3acp n TYR 255 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3acp n GLY 256 N 3.62 0.88 3.83 2.98 0.00 -1.26 -5.01 105.19 110.23 3acp n GLY 256 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3acp n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acp s LYS 257 N -0.04 4.05 0.04 1.61 -0.14 -0.09 -0.28 119.74 124.89 3acp s LYS 257 Ca 0.00 0.56 0.07 0.00 -1.36 0.00 0.00 55.97 55.24 3acp s LYS 257 Cb 0.00 -3.19 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 3acp s LYS 257 CO 0.00 0.64 -0.19 0.71 -0.76 0.00 0.00 175.35 175.75 3acp s TYR 258 N -1.15 1.64 -0.11 3.18 2.02 0.04 -0.76 117.35 122.21 3acp s TYR 258 Ca 0.28 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3acp s TYR 258 Cb -0.18 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3acp s TYR 258 CO 0.17 0.08 -0.23 0.54 -1.57 0.00 0.00 175.55 174.54 3acp s VAL 259 N -0.82 2.15 -0.16 0.71 0.11 0.17 -1.13 120.40 121.43 3acp s VAL 259 Ca 0.06 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 58.05 3acp s VAL 259 Cb -0.09 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 3acp s VAL 259 CO 0.02 0.55 0.09 -0.63 -3.33 0.00 0.00 175.10 171.80 3acp s ILE 260 N 0.42 5.05 -0.12 7.04 1.01 0.61 -0.61 121.20 134.61 3acp s ILE 260 Ca -0.16 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3acp s ILE 260 Cb -0.17 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.06 3acp s ILE 260 CO 0.07 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.39 3acp s ALA 261 N -0.07 1.57 -0.18 9.38 0.00 0.20 -0.84 121.76 131.81 3acp s ALA 261 Ca 0.08 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 3acp s ALA 261 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3acp s ALA 261 CO 0.01 -0.24 0.40 0.20 0.00 0.00 0.00 175.76 176.12 3acp s GLY 262 N 1.31 2.17 0.24 0.00 0.00 0.20 -1.38 107.32 109.86 3acp s GLY 262 Ca -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.35 3acp s GLY 262 CO -0.05 0.74 0.14 0.30 0.00 0.00 0.00 173.10 174.23 3acp s HIS 263 N 1.02 3.03 0.28 1.90 3.76 -0.60 -0.36 115.29 124.31 3acp s HIS 263 Ca 0.20 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 3acp s HIS 263 Cb -0.14 -1.38 0.47 0.00 1.11 0.00 0.00 32.58 32.64 3acp s HIS 263 CO 0.08 0.54 1.87 0.28 -0.85 0.00 0.00 174.74 176.66 3acp h VAL 264 N 1.69 1.03 0.00 -0.90 2.07 -1.18 0.98 116.25 119.95 3acp h VAL 264 Ca -0.48 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3acp h VAL 264 Cb 1.23 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3acp h VAL 264 CO 0.61 0.20 -0.02 0.77 0.02 0.00 0.00 177.57 179.15 3acp h SER 265 N 1.10 0.00 0.00 0.57 4.64 -1.87 -3.18 113.55 114.81 3acp h SER 265 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3acp h SER 265 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3acp h SER 265 CO -0.19 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 3acp n GLY 266 N -0.67 0.28 3.83 -0.77 0.00 0.23 -4.03 105.19 104.06 3acp n GLY 266 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3acp n GLY 266 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3acp s VAL 267 N -2.09 3.14 -0.07 1.61 -7.23 -1.26 -4.15 120.40 110.35 3acp s VAL 267 Ca 0.00 0.37 0.03 0.00 -1.81 0.00 0.00 61.98 60.57 3acp s VAL 267 Cb 0.00 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.76 3acp s VAL 267 CO 0.00 -0.48 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.50 3acp s ILE 268 N -3.22 1.54 0.13 -0.62 1.01 -0.73 -1.56 121.20 117.75 3acp s ILE 268 Ca 0.60 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.62 3acp s ILE 268 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3acp s ILE 268 CO 0.53 0.44 -0.22 0.42 0.00 0.00 0.00 174.94 176.12 3acp s THR 269 N 0.39 2.57 -0.08 2.92 -4.23 -0.48 -0.72 115.64 116.01 3acp s THR 269 Ca -0.13 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3acp s THR 269 Cb -0.15 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3acp s THR 269 CO 0.05 0.07 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.34 3acp s VAL 270 N -1.17 1.56 -0.09 2.29 1.01 -0.57 -0.63 120.40 122.81 3acp s VAL 270 Ca 0.17 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3acp s VAL 270 Cb -0.10 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3acp s VAL 270 CO 0.09 0.45 -0.22 -1.00 0.00 0.00 0.00 175.10 174.42 3acp s HIS 271 N 0.51 2.34 -0.42 5.22 3.76 0.22 -0.41 115.29 126.50 3acp s HIS 271 Ca -0.17 -0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 53.54 3acp s HIS 271 Cb -0.17 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 31.95 3acp s HIS 271 CO 0.06 -0.37 1.48 1.21 -0.85 0.00 0.00 174.74 176.27 3acp s ASN 272 N 0.35 6.22 0.43 1.40 3.84 -0.20 -0.66 114.94 126.32 3acp s ASN 272 Ca -0.17 0.83 0.11 0.00 0.21 0.00 0.00 52.86 53.84 3acp s ASN 272 Cb -0.17 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.94 3acp s ASN 272 CO 0.08 -1.53 2.02 0.58 -2.79 0.00 0.00 177.10 175.45 3acp h VAL 273 N 6.52 1.11 0.29 -5.21 2.07 -1.23 0.11 116.25 119.92 3acp h VAL 273 Ca -0.28 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3acp h VAL 273 Cb 1.11 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3acp h VAL 273 CO 1.09 0.14 -0.14 0.15 0.02 0.00 0.00 177.57 178.83 3acp h PHE 274 N 0.23 -0.36 0.00 1.57 3.57 -1.72 -3.35 116.94 116.88 3acp h PHE 274 Ca 0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3acp h PHE 274 Cb 0.17 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3acp h PHE 274 CO 0.00 -0.23 -0.10 0.66 -2.23 0.00 0.00 178.31 176.41 3acp h SER 275 N -0.96 0.00 0.00 0.41 4.64 -1.93 -3.47 113.55 112.24 3acp h SER 275 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3acp h SER 275 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3acp h SER 275 CO 0.07 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 3acp n LYS 276 N -3.24 0.00 -1.97 4.77 4.76 0.37 -5.02 118.16 117.82 3acp n LYS 276 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 3acp n LYS 276 Cb 0.36 -3.05 -0.02 0.00 -1.84 0.00 0.00 35.03 30.49 3acp n LYS 276 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3acp s GLU 277 N -0.29 4.24 -0.38 1.97 2.02 -1.24 -4.76 118.70 120.27 3acp s GLU 277 Ca 0.00 2.36 -0.27 0.00 0.02 0.00 0.00 54.97 57.08 3acp s GLU 277 Cb 0.00 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.18 3acp s GLU 277 CO 0.00 -0.41 0.99 -1.14 0.02 0.00 0.00 175.26 174.72 3acp s GLN 278 N -1.02 3.87 -0.00 1.61 0.74 -1.26 -1.03 119.66 122.55 3acp s GLN 278 Ca 0.56 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.66 3acp s GLN 278 Cb -0.43 -3.81 -0.26 0.00 1.10 0.00 0.00 33.01 29.62 3acp s GLN 278 CO 0.50 -1.01 0.82 0.00 -0.55 0.00 0.00 175.29 175.05 3acp h THR 279 N 5.87 1.11 -3.53 -0.34 1.03 -1.10 -3.48 112.91 112.46 3acp h THR 279 Ca -0.22 -2.81 -0.17 0.00 -0.01 0.00 0.00 66.41 63.20 3acp h THR 279 Cb 1.07 2.68 -0.23 0.00 -1.07 0.00 0.00 68.15 70.60 3acp h THR 279 CO 1.02 0.77 -0.55 -0.63 -0.01 0.00 0.00 175.52 176.12 3acp s ILE 280 N -2.62 0.05 -0.08 0.00 1.01 -1.20 -5.00 121.20 113.37 3acp s ILE 280 Ca -0.08 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3acp s ILE 280 Cb 0.07 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.26 3acp s ILE 280 CO 0.84 -0.24 -0.08 -1.58 0.00 0.00 0.00 174.94 173.88 3acp s GLN 281 N -0.79 1.39 -0.12 2.79 0.74 -1.26 -1.51 119.66 120.90 3acp s GLN 281 Ca -0.09 -0.26 -0.17 0.00 0.05 0.00 0.00 55.36 54.89 3acp s GLN 281 Cb -0.05 -1.32 -0.04 0.00 1.10 0.00 0.00 33.01 32.70 3acp s GLN 281 CO 0.01 -0.11 0.43 -0.51 -0.55 0.00 0.00 175.29 174.56 3acp s LEU 282 N 1.14 4.29 0.59 3.68 1.43 0.10 -4.94 118.68 124.97 3acp s LEU 282 Ca -0.06 0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 53.61 3acp s LEU 282 Cb -0.14 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3acp s LEU 282 CO -0.01 0.05 1.22 -2.16 0.23 0.00 0.00 176.35 175.67 3acp s PRO 283 N 0.43 3.01 -1.31 1.29 0.04 -1.26 -1.77 135.00 135.43 3acp s PRO 283 Ca 0.24 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 3acp s PRO 283 Cb -0.15 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3acp s PRO 283 CO 0.09 -1.18 2.06 0.45 0.04 0.00 0.00 177.00 178.46 3acp n SER 284 N -1.51 3.88 0.26 6.66 2.88 -1.26 -4.72 113.62 119.81 3acp n SER 284 Ca 0.13 -2.83 0.10 0.00 -1.33 0.00 0.00 58.87 54.94 3acp n SER 284 Cb 0.49 -1.61 0.70 0.00 -0.75 0.00 0.00 64.21 63.05 3acp n SER 284 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3acp h LYS 285 N 6.80 0.00 -0.49 -1.46 3.64 -1.90 -2.38 116.57 120.78 3acp h LYS 285 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3acp h LYS 285 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3acp h LYS 285 CO 1.77 0.05 0.00 1.19 -2.27 0.00 0.00 179.45 180.19 3acp n PHE 286 N -4.20 0.64 -3.98 1.91 3.72 -1.26 -4.97 117.46 109.31 3acp n PHE 286 Ca -0.03 -0.38 -0.31 0.00 -0.05 0.00 0.00 57.45 56.69 3acp n PHE 286 Cb 0.13 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3acp n PHE 286 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3acp n THR 287 N 1.32 -2.10 -3.82 4.37 -1.04 -0.90 -4.93 114.28 107.18 3acp n THR 287 Ca 0.19 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 3acp n THR 287 Cb 0.56 -2.60 -0.02 0.00 -1.82 0.00 0.00 70.33 66.45 3acp n THR 287 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3acp s SER 289 N -2.92 6.38 -0.56 0.00 0.15 -1.20 -3.27 113.70 112.28 3acp s SER 289 Ca 0.11 2.96 -0.25 0.00 0.70 0.00 0.00 55.95 59.47 3acp s SER 289 Cb -0.05 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3acp s SER 289 CO 0.05 -0.90 0.98 0.00 1.20 0.00 0.00 173.24 174.57 3acp h ASN 291 N 9.35 0.02 -4.23 0.00 2.35 -1.31 -3.36 115.58 118.40 3acp h ASN 291 Ca -0.26 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3acp h ASN 291 Cb 1.07 -0.01 -0.21 0.00 0.05 0.00 0.00 38.32 39.23 3acp h ASN 291 CO 1.10 1.02 0.16 -0.55 -1.65 0.00 0.00 177.43 177.52 3acp s SER 292 N -6.68 -0.71 0.13 5.81 0.15 -1.18 -4.38 113.70 106.84 3acp s SER 292 Ca 0.00 1.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.81 3acp s SER 292 Cb 0.10 1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 65.58 3acp s SER 292 CO 0.82 -0.34 0.20 -1.48 1.20 0.00 0.00 173.24 173.65 3acp s LEU 293 N -0.05 1.31 -0.02 3.45 0.05 -1.26 -0.53 118.68 121.64 3acp s LEU 293 Ca -0.03 -0.87 -0.23 0.00 0.05 0.00 0.00 54.13 53.05 3acp s LEU 293 Cb -0.04 0.95 0.05 0.00 -2.05 0.00 0.00 46.19 45.10 3acp s LEU 293 CO 0.03 -0.80 0.50 0.28 -0.55 0.00 0.00 176.35 175.81 3acp s THR 294 N -3.95 0.03 -0.07 5.48 -1.32 -0.33 -4.78 115.64 110.70 3acp s THR 294 Ca 0.14 -0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 60.26 3acp s THR 294 Cb 0.05 -0.85 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 3acp s THR 294 CO -0.04 -0.13 0.30 -0.69 -2.21 0.00 0.00 174.62 171.85 3acp s VAL 295 N -1.50 5.24 0.04 5.08 1.01 -1.26 -0.88 120.40 128.13 3acp s VAL 295 Ca -0.11 0.57 -0.34 0.00 0.00 0.00 0.00 61.98 62.11 3acp s VAL 295 Cb -0.02 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 3acp s VAL 295 CO 0.05 0.55 1.75 -0.67 0.00 0.00 0.00 175.10 176.79 3acp n ASP 296 N 2.23 3.38 0.00 3.32 -0.08 -0.42 -4.74 116.55 120.23 3acp n ASP 296 Ca -0.15 1.02 0.12 0.00 -1.51 0.00 0.00 54.79 54.27 3acp n ASP 296 Cb 0.53 -1.42 0.59 0.00 2.34 0.00 0.00 41.12 43.16 3acp n ASP 296 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3acp n GLY 297 N 3.97 -1.26 0.05 0.27 0.00 -1.26 -2.85 105.19 104.11 3acp n GLY 297 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3acp n GLY 297 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3acp n ASN 298 N -1.40 1.30 -3.31 1.61 4.13 -1.26 -4.94 115.26 111.38 3acp n ASN 298 Ca 0.09 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.24 3acp n ASN 298 Cb 0.25 1.18 -0.06 0.00 -1.54 0.00 0.00 39.78 39.61 3acp n ASN 298 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3acp s ASN 299 N -4.50 0.45 0.00 6.41 3.84 -1.13 -5.03 114.94 114.98 3acp s ASN 299 Ca -0.07 -0.80 0.12 0.00 0.21 0.00 0.00 52.86 52.33 3acp s ASN 299 Cb 0.07 1.02 0.74 0.00 -0.55 0.00 0.00 41.25 42.53 3acp s ASN 299 CO 0.64 -0.31 1.19 0.00 -2.79 0.00 0.00 177.10 175.82 3acp n ALA 300 N 4.92 2.12 0.30 1.71 0.00 -1.24 -1.62 120.51 126.71 3acp n ALA 300 Ca 0.05 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.59 3acp n ALA 300 Cb 0.49 -1.20 0.82 0.00 0.00 0.00 0.00 19.45 19.55 3acp n ALA 300 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3acp h ASN 301 N 0.00 0.00 -3.46 0.00 2.35 -1.95 -3.45 115.58 109.07 3acp h ASN 301 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 3acp h ASN 301 Cb 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.13 3acp h ASN 301 CO 0.00 0.00 -0.73 -0.31 -1.65 0.00 0.00 177.43 174.74 3acp s TYR 302 N -3.77 2.87 0.19 1.19 2.02 -0.64 -0.20 117.35 119.02 3acp s TYR 302 Ca -0.00 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3acp s TYR 302 Cb 0.10 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3acp s TYR 302 CO 0.49 -0.04 -0.16 0.96 -1.57 0.00 0.00 175.55 175.23 3acp s ILE 303 N 0.05 1.79 -0.09 2.71 -4.36 -0.51 -1.30 121.20 119.48 3acp s ILE 303 Ca -0.03 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.27 3acp s ILE 303 Cb -0.14 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.60 3acp s ILE 303 CO 0.04 -0.49 -0.16 -0.31 0.24 0.00 0.00 174.94 174.25 3acp s TYR 304 N -2.63 1.92 -0.04 1.37 2.02 -0.06 -1.42 117.35 118.50 3acp s TYR 304 Ca 0.20 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 3acp s TYR 304 Cb -0.03 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3acp s TYR 304 CO 0.07 -0.39 -0.12 0.00 -1.57 0.00 0.00 175.55 173.54 3acp s ALA 305 N 0.71 1.14 -0.10 3.71 0.00 0.02 -1.19 121.76 126.06 3acp s ALA 305 Ca -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3acp s ALA 305 Cb -0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3acp s ALA 305 CO 0.03 0.18 -0.11 0.20 0.00 0.00 0.00 175.76 176.07 3acp s GLY 306 N 0.22 1.60 0.38 0.00 0.00 0.31 -0.86 107.32 108.97 3acp s GLY 306 Ca -0.05 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.84 3acp s GLY 306 CO 0.01 -0.46 0.09 -0.19 0.00 0.00 0.00 173.10 172.56 3acp s TYR 307 N -0.25 2.58 0.37 1.90 2.02 0.11 -0.94 117.35 123.14 3acp s TYR 307 Ca 0.02 -0.53 0.33 0.00 -0.37 0.00 0.00 57.07 56.52 3acp s TYR 307 Cb -0.13 -1.74 1.61 0.00 -0.40 0.00 0.00 41.96 41.31 3acp s TYR 307 CO 0.03 0.34 2.10 1.49 -1.57 0.00 0.00 175.55 177.94 3acp h GLU 308 N 1.63 0.00 -0.01 -0.62 4.57 -1.36 -1.98 114.58 116.81 3acp h GLU 308 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3acp h GLU 308 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3acp h GLU 308 CO 0.70 0.07 -0.20 0.27 -1.18 0.00 0.00 179.01 178.67 3acp n ASN 309 N -3.37 1.13 0.00 1.04 6.94 -1.26 -2.75 115.26 117.00 3acp n ASN 309 Ca -0.01 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.53 3acp n ASN 309 Cb 0.23 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 3acp n ASN 309 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3acp n GLY 310 N 1.31 0.88 3.71 4.83 0.00 -0.80 0.16 105.19 115.27 3acp n GLY 310 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3acp n GLY 310 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3acp s MET 311 N -0.97 4.46 -0.26 1.61 0.00 -1.26 -0.51 119.30 122.38 3acp s MET 311 Ca 0.00 1.61 -0.07 0.00 0.00 0.00 0.00 55.69 57.23 3acp s MET 311 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 34.83 31.39 3acp s MET 311 CO 0.00 -0.22 0.06 -1.17 0.00 0.00 0.00 175.02 173.69 3acp s LEU 312 N 1.27 3.47 0.03 4.11 2.96 0.56 -0.71 118.68 130.37 3acp s LEU 312 Ca 0.55 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3acp s LEU 312 Cb -0.25 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3acp s LEU 312 CO 0.27 -0.07 -0.16 0.00 -1.32 0.00 0.00 176.35 175.07 3acp s ALA 313 N 1.57 2.67 -0.16 5.97 0.00 -0.04 -0.04 121.76 131.72 3acp s ALA 313 Ca 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 3acp s ALA 313 Cb -0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3acp s ALA 313 CO 0.02 0.58 -0.02 -1.14 0.00 0.00 0.00 175.76 175.21 3acp s GLN 314 N -1.39 3.71 0.05 0.00 0.74 0.05 -0.80 119.66 122.02 3acp s GLN 314 Ca 0.15 -0.49 0.09 0.00 0.05 0.00 0.00 55.36 55.15 3acp s GLN 314 Cb -0.11 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 3acp s GLN 314 CO 0.05 0.22 -0.23 -1.58 -0.55 0.00 0.00 175.29 173.20 3acp s TRP 315 N 0.43 2.42 -0.31 1.67 0.52 -0.51 0.19 118.94 123.35 3acp s TRP 315 Ca -0.02 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 55.67 3acp s TRP 315 Cb -0.14 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 3acp s TRP 315 CO 0.02 0.19 0.11 0.34 0.02 0.00 0.00 176.95 177.63 3acp s ASP 316 N -1.39 5.27 0.65 2.95 -1.08 -1.26 -1.43 116.67 120.39 3acp s ASP 316 Ca 0.13 -0.73 0.38 0.00 -0.52 0.00 0.00 52.55 51.81 3acp s ASP 316 Cb -0.10 -1.91 2.11 0.00 -1.46 0.00 0.00 42.92 41.56 3acp s ASP 316 CO 0.04 -0.22 2.24 -0.07 0.52 0.00 0.00 175.17 177.67 3acp h LEU 317 N 8.27 0.00 -0.80 -1.34 3.38 -0.93 -0.27 115.31 123.62 3acp h LEU 317 Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3acp h LEU 317 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3acp h LEU 317 CO 0.61 0.00 -0.45 0.03 0.09 0.00 0.00 178.44 178.72 3acp h ARG 318 N 0.00 0.00 -2.11 1.13 3.08 -1.94 -3.37 114.38 111.17 3acp h ARG 318 Ca 0.01 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.48 3acp h ARG 318 Cb 0.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.84 3acp h ARG 318 CO -0.00 0.45 -0.82 0.45 -1.07 0.00 0.00 179.97 178.98 3acp n SER 319 N -3.55 2.24 0.00 7.04 2.88 -0.11 -4.97 113.62 117.14 3acp n SER 319 Ca -0.00 -3.13 0.11 0.00 -1.33 0.00 0.00 58.87 54.52 3acp n SER 319 Cb 0.56 -0.65 0.63 0.00 -0.75 0.00 0.00 64.21 64.00 3acp n SER 319 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3acp n PRO 320 N 1.05 0.56 0.10 -1.46 -0.04 -1.23 -3.75 135.00 130.23 3acp n PRO 320 Ca 0.26 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.70 3acp n PRO 320 Cb 0.46 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3acp n PRO 320 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3acp h GLU 321 N 0.00 0.14 -3.23 0.54 3.07 -1.92 -3.41 114.58 109.77 3acp h GLU 321 Ca 0.00 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.61 3acp h GLU 321 Cb 0.08 0.03 -0.21 0.00 -0.84 0.00 0.00 28.75 27.81 3acp h GLU 321 CO 0.00 0.80 -0.37 0.00 -1.40 0.00 0.00 179.01 178.04 3acp s PRO 323 N -1.25 1.99 0.00 0.00 0.02 -1.26 -4.72 135.00 129.78 3acp s PRO 323 Ca -0.13 1.55 0.24 0.00 0.02 0.00 0.00 61.00 62.67 3acp s PRO 323 Cb -0.06 -1.84 0.31 0.00 0.02 0.00 0.00 34.50 32.93 3acp s PRO 323 CO 0.03 -1.91 1.28 1.33 -0.33 0.00 0.00 177.00 177.40 3acp n VAL 324 N -3.19 0.00 -3.65 3.83 0.24 0.13 -4.92 118.33 110.77 3acp n VAL 324 Ca 0.12 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.21 3acp n VAL 324 Cb 0.51 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.41 3acp n VAL 324 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3acp s GLY 325 N -2.81 -0.44 -0.04 7.63 0.00 -1.00 -4.77 107.32 105.89 3acp s GLY 325 Ca 0.14 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.35 3acp s GLY 325 CO 0.68 1.23 -0.03 -0.54 0.00 0.00 0.00 173.10 174.44 3acp s GLU 326 N -0.11 0.73 -0.07 2.90 2.02 -1.26 -0.77 118.70 122.12 3acp s GLU 326 Ca -0.03 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 3acp s GLU 326 Cb -0.03 -0.79 0.04 0.00 0.10 0.00 0.00 34.13 33.44 3acp s GLU 326 CO 0.03 -0.10 0.05 -0.06 0.02 0.00 0.00 175.26 175.19 3acp s PHE 327 N 1.00 0.28 0.07 1.61 0.08 0.94 -1.11 117.98 120.85 3acp s PHE 327 Ca -0.10 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 3acp s PHE 327 Cb -0.14 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 3acp s PHE 327 CO -0.01 -0.29 0.95 -0.51 -0.10 0.00 0.00 175.22 175.26 3acp s LEU 328 N 2.10 4.45 -0.19 -0.37 1.43 -0.55 -0.32 118.68 125.23 3acp s LEU 328 Ca 0.04 1.72 -0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3acp s LEU 328 Cb -0.13 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.59 3acp s LEU 328 CO -0.05 -0.13 -0.05 -0.63 0.23 0.00 0.00 176.35 175.72 3acp s ILE 329 N 0.36 1.27 -1.23 -0.59 1.01 0.33 -0.62 121.20 121.72 3acp s ILE 329 Ca 0.48 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 3acp s ILE 329 Cb -0.22 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3acp s ILE 329 CO 0.29 0.04 0.66 0.59 0.00 0.00 0.00 174.94 176.52 3acp n ASN 330 N 4.80 -3.60 -4.54 3.58 5.03 -1.26 -4.57 115.26 114.69 3acp n ASN 330 Ca -0.12 -1.06 -0.51 0.00 0.87 0.00 0.00 54.58 53.77 3acp n ASN 330 Cb 0.46 -3.03 -0.05 0.00 -1.02 0.00 0.00 39.78 36.15 3acp n ASN 330 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3acp n GLU 331 N -4.38 0.77 -0.02 3.52 2.13 -1.26 -0.66 120.64 120.74 3acp n GLU 331 Ca -0.16 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3acp n GLU 331 Cb 0.62 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3acp n GLU 331 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3acp n GLY 332 N 1.91 0.45 3.29 8.31 0.00 0.12 -4.79 105.19 114.48 3acp n GLY 332 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3acp n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3acp s THR 333 N -2.16 2.54 0.35 2.61 2.01 0.17 -4.93 115.64 116.22 3acp s THR 333 Ca 0.00 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 3acp s THR 333 Cb 0.00 -2.03 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 3acp s THR 333 CO 0.00 0.54 1.33 -2.16 -0.69 0.00 0.00 174.62 173.64 3acp s PRO 334 N 0.41 4.26 -0.11 4.92 0.04 -1.11 -2.49 135.00 140.92 3acp s PRO 334 Ca -0.14 2.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 3acp s PRO 334 Cb -0.17 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3acp s PRO 334 CO 0.06 -0.28 0.93 0.42 0.04 0.00 0.00 177.00 178.18 3acp s ILE 335 N -1.16 4.84 -0.04 0.56 1.01 -0.88 -0.89 121.20 124.64 3acp s ILE 335 Ca 0.51 1.89 0.07 0.00 0.00 0.00 0.00 60.65 63.12 3acp s ILE 335 Cb -0.40 -4.25 -0.24 0.00 0.01 0.00 0.00 42.46 37.58 3acp s ILE 335 CO 0.53 0.05 0.67 0.78 0.00 0.00 0.00 174.94 176.97 3acp h ASN 336 N 7.09 0.12 -3.63 3.58 -0.26 -1.28 -3.41 115.58 117.79 3acp h ASN 336 Ca -0.33 -0.25 -0.02 0.00 -0.56 0.00 0.00 56.30 55.14 3acp h ASN 336 Cb 1.16 -0.04 -0.21 0.00 -1.06 0.00 0.00 38.32 38.16 3acp h ASN 336 CO 0.83 1.22 0.07 0.21 -1.06 0.00 0.00 177.43 178.70 3acp s ASN 337 N -6.42 -0.80 -0.02 5.81 3.84 -1.21 -4.60 114.94 111.54 3acp s ASN 337 Ca -0.08 1.44 0.05 0.00 0.21 0.00 0.00 52.86 54.48 3acp s ASN 337 Cb 0.08 1.40 -0.01 0.00 -0.55 0.00 0.00 41.25 42.17 3acp s ASN 337 CO 0.82 -0.24 -0.17 0.68 -2.79 0.00 0.00 177.10 175.40 3acp s VAL 338 N 0.84 1.34 -0.15 -5.21 -7.23 -1.26 -1.01 120.40 107.72 3acp s VAL 338 Ca -0.04 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.37 3acp s VAL 338 Cb -0.05 -1.13 0.07 0.00 0.56 0.00 0.00 36.38 35.84 3acp s VAL 338 CO -0.07 0.38 0.31 -0.47 -0.31 0.00 0.00 175.10 174.94 3acp s TYR 339 N -0.27 -0.53 -0.07 2.82 5.04 -0.04 -4.52 117.35 119.78 3acp s TYR 339 Ca 0.04 1.10 -0.23 0.00 -2.44 0.00 0.00 57.07 55.53 3acp s TYR 339 Cb -0.08 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 3acp s TYR 339 CO 0.00 -0.40 0.69 0.12 -1.34 0.00 0.00 175.55 174.61 3acp s PHE 340 N 2.47 3.57 -0.11 4.97 5.36 -1.26 0.15 117.98 133.13 3acp s PHE 340 Ca 0.01 1.22 -0.28 0.00 -0.96 0.00 0.00 56.93 56.92 3acp s PHE 340 Cb -0.12 -2.79 0.07 0.00 -0.34 0.00 0.00 43.02 39.83 3acp s PHE 340 CO -0.10 0.09 0.66 0.00 -1.46 0.00 0.00 175.22 174.40 3acp s ALA 341 N 0.82 -1.68 -1.57 11.12 0.00 -0.24 -4.96 121.76 125.24 3acp s ALA 341 Ca 0.37 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.70 3acp s ALA 341 Cb -0.18 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.67 3acp s ALA 341 CO 0.17 -0.35 0.37 0.00 0.00 0.00 0.00 175.76 175.95 3acp n ALA 342 N 1.48 -1.77 -2.58 0.00 0.00 -1.26 -0.73 120.51 115.65 3acp n ALA 342 Ca -0.18 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.81 3acp n ALA 342 Cb 0.56 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 18.26 3acp n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3acp n GLY 343 N -1.96 -0.38 3.29 0.00 0.00 -1.26 -4.99 105.19 99.88 3acp n GLY 343 Ca -0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3acp n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3acp s ALA 344 N -2.99 -0.18 -0.15 4.61 0.00 0.09 -2.42 121.76 120.72 3acp s ALA 344 Ca 0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3acp s ALA 344 Cb -0.05 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3acp s ALA 344 CO 0.13 -0.59 -0.13 -1.17 0.00 0.00 0.00 175.76 174.00 3acp s LEU 345 N -2.91 2.64 -0.12 0.00 2.96 -0.02 -1.08 118.68 120.15 3acp s LEU 345 Ca 0.11 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3acp s LEU 345 Cb 0.04 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 3acp s LEU 345 CO -0.05 0.11 0.09 -0.36 -1.32 0.00 0.00 176.35 174.81 3acp s PHE 346 N 0.69 3.42 -0.05 5.38 0.08 0.12 -0.71 117.98 126.91 3acp s PHE 346 Ca -0.06 0.37 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 3acp s PHE 346 Cb -0.15 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3acp s PHE 346 CO 0.02 0.57 0.03 0.08 -0.10 0.00 0.00 175.22 175.82 3acp s VAL 347 N -0.73 0.12 -0.18 -0.44 1.01 -0.12 -0.86 120.40 119.20 3acp s VAL 347 Ca 0.13 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 3acp s VAL 347 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3acp s VAL 347 CO 0.03 0.21 0.34 -0.55 0.00 0.00 0.00 175.10 175.13 3acp s SER 348 N 2.03 6.42 -0.06 3.32 0.15 -0.18 -1.32 113.70 124.06 3acp s SER 348 Ca 0.04 0.49 0.03 0.00 0.70 0.00 0.00 55.95 57.22 3acp s SER 348 Cb -0.12 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3acp s SER 348 CO -0.04 0.01 -0.15 -0.55 1.20 0.00 0.00 173.24 173.71 3acp s SER 349 N 0.81 1.97 0.63 5.45 0.15 0.18 -0.77 113.70 122.11 3acp s SER 349 Ca 0.17 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.49 3acp s SER 349 Cb -0.14 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 3acp s SER 349 CO 0.06 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3acp n GLY 350 N 3.53 1.49 0.10 9.45 0.00 -0.07 -1.70 105.19 117.99 3acp n GLY 350 Ca -0.21 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3acp n GLY 350 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3acp h PHE 351 N 0.00 0.00 0.00 1.61 0.04 -1.94 -3.42 116.94 113.22 3acp h PHE 351 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3acp h PHE 351 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3acp h PHE 351 CO 0.00 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.31 3acp n ASP 352 N -2.48 0.46 -4.26 2.17 5.68 -1.22 -3.09 116.55 113.80 3acp n ASP 352 Ca 0.01 -0.86 -0.33 0.00 -0.50 0.00 0.00 54.79 53.12 3acp n ASP 352 Cb 0.51 0.12 -0.15 0.00 -1.14 0.00 0.00 41.12 40.45 3acp n ASP 352 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3acp s THR 353 N -0.12 2.58 -0.05 2.12 2.01 -0.69 -4.73 115.64 116.76 3acp s THR 353 Ca 0.00 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 3acp s THR 353 Cb 0.00 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.47 3acp s THR 353 CO 0.00 0.53 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.90 3acp s SER 354 N 0.70 1.12 -0.02 3.53 0.15 -1.26 -0.65 113.70 117.27 3acp s SER 354 Ca -0.08 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.55 3acp s SER 354 Cb -0.16 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.79 3acp s SER 354 CO 0.02 -0.15 -0.14 -0.63 1.20 0.00 0.00 173.24 173.54 3acp s ILE 355 N 1.54 1.10 -0.22 6.45 1.01 -0.44 -1.78 121.20 128.85 3acp s ILE 355 Ca -0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3acp s ILE 355 Cb -0.13 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3acp s ILE 355 CO -0.03 0.32 0.04 -0.75 0.00 0.00 0.00 174.94 174.52 3acp s LYS 356 N -0.20 3.69 -0.19 2.79 2.20 0.11 -0.94 119.74 127.20 3acp s LYS 356 Ca 0.03 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 3acp s LYS 356 Cb -0.07 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3acp s LYS 356 CO -0.00 -0.05 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.38 3acp s LEU 357 N 1.21 2.95 0.31 5.43 1.43 0.11 -1.66 118.68 128.45 3acp s LEU 357 Ca 0.04 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 3acp s LEU 357 Cb -0.14 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 3acp s LEU 357 CO 0.03 0.06 1.02 -1.81 0.23 0.00 0.00 176.35 175.87 3acp s ASP 358 N 1.01 7.24 -0.19 2.29 1.01 -1.26 -0.84 116.67 125.93 3acp s ASP 358 Ca 0.00 2.05 -0.03 0.00 0.71 0.00 0.00 52.55 55.29 3acp s ASP 358 Cb -0.15 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 3acp s ASP 358 CO 0.00 -0.15 -0.07 -0.63 0.21 0.00 0.00 175.17 174.53 3acp s ILE 359 N -1.39 3.26 0.31 0.77 -1.09 -1.01 -0.62 121.20 121.43 3acp s ILE 359 Ca 0.48 -0.55 0.10 0.00 -2.23 0.00 0.00 60.65 58.46 3acp s ILE 359 Cb -0.25 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.12 3acp s ILE 359 CO 0.32 0.46 -0.06 0.27 -1.23 0.00 0.00 174.94 174.70 3acp s ILE 360 N 1.13 2.74 0.01 2.92 -4.36 -0.63 -4.83 121.20 118.18 3acp s ILE 360 Ca 0.01 -2.10 -0.27 0.00 -0.26 0.00 0.00 60.65 58.03 3acp s ILE 360 Cb -0.14 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 3acp s ILE 360 CO -0.01 -0.29 0.86 -0.44 0.24 0.00 0.00 174.94 175.29 3acp s SER 361 N -3.64 7.25 0.32 4.36 0.01 -1.26 0.11 113.70 120.85 3acp s SER 361 Ca 0.32 1.51 -0.29 0.00 1.31 0.00 0.00 55.95 58.81 3acp s SER 361 Cb -0.03 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.59 3acp s SER 361 CO 0.18 -0.13 1.43 -0.62 0.41 0.00 0.00 173.24 174.51 3acp s ASP 362 N 0.56 6.56 0.02 2.44 -1.08 -0.74 -4.87 116.67 119.56 3acp s ASP 362 Ca 0.44 2.83 -0.26 0.00 -0.52 0.00 0.00 52.55 55.04 3acp s ASP 362 Cb -0.20 -2.65 -0.17 0.00 -1.46 0.00 0.00 42.92 38.44 3acp s ASP 362 CO 0.25 -0.73 1.34 -0.65 0.52 0.00 0.00 175.17 175.89 3acp h PRO 363 N 3.88 -0.40 -5.75 4.34 0.11 -1.94 -3.06 132.00 129.18 3acp h PRO 363 Ca -0.48 0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 3acp h PRO 363 Cb 1.23 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.36 3acp h PRO 363 CO 0.70 -0.11 1.74 -1.21 -0.21 0.00 0.00 178.00 178.91 3acp s GLU 364 N -4.97 3.43 0.00 1.05 8.01 -1.26 -4.89 118.70 120.07 3acp s GLU 364 Ca -0.15 -1.61 0.00 0.00 0.01 0.00 0.00 54.97 53.22 3acp s GLU 364 Cb 0.03 -5.42 0.00 0.00 -4.31 0.00 0.00 34.13 24.43 3acp s GLU 364 CO 0.57 -2.86 0.00 -1.13 0.01 0.00 0.00 175.26 171.85 3acp n SER 365 N 10.57 0.00 -3.95 -0.19 3.41 -1.16 -4.87 113.62 117.44 3acp n SER 365 Ca 0.46 -0.42 -0.30 0.00 -0.26 0.00 0.00 58.87 58.36 3acp n SER 365 Cb 0.47 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 3acp n SER 365 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3acp s GLU 366 N -0.13 1.77 -0.27 4.33 4.04 -1.26 -4.99 118.70 122.18 3acp s GLU 366 Ca 0.00 -0.72 -0.23 0.00 0.04 0.00 0.00 54.97 54.07 3acp s GLU 366 Cb 0.00 -2.26 0.08 0.00 0.02 0.00 0.00 34.13 31.97 3acp s GLU 366 CO 0.00 -0.44 0.74 0.50 -1.84 0.00 0.00 175.26 174.22 3acp s ARG 367 N 1.49 0.77 0.30 -4.83 3.52 -1.26 -4.90 118.95 114.04 3acp s ARG 367 Ca -0.01 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 56.32 3acp s ARG 367 Cb -0.16 0.32 -0.10 0.00 -1.56 0.00 0.00 34.95 33.45 3acp s ARG 367 CO -0.08 -0.11 1.38 -1.25 -0.81 0.00 0.00 175.30 174.43 3acp s PRO 368 N 0.71 4.30 -0.05 5.12 0.04 -1.26 -1.79 135.00 142.07 3acp s PRO 368 Ca -0.03 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3acp s PRO 368 Cb -0.05 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.42 3acp s PRO 368 CO -0.05 -0.32 -0.10 0.00 0.04 0.00 0.00 177.00 176.57 3acp s ALA 369 N -0.61 1.02 0.04 8.56 0.00 0.12 -4.88 121.76 126.01 3acp s ALA 369 Ca 0.54 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 3acp s ALA 369 Cb -0.41 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3acp s ALA 369 CO 0.49 0.11 1.27 0.42 0.00 0.00 0.00 175.76 178.05 3acp s ILE 370 N 0.54 3.89 -1.41 0.00 -1.09 -1.26 -1.61 121.20 120.25 3acp s ILE 370 Ca -0.10 1.32 -0.13 0.00 -2.23 0.00 0.00 60.65 59.52 3acp s ILE 370 Cb -0.13 -3.85 0.07 0.00 -1.58 0.00 0.00 42.46 36.97 3acp s ILE 370 CO 0.02 0.06 2.15 -0.62 -1.23 0.00 0.00 174.94 175.32 3acp n GLU 371 N 4.46 3.07 0.21 2.79 -0.58 0.21 -4.77 120.64 126.04 3acp n GLU 371 Ca 0.11 -2.84 0.14 0.00 -0.42 0.00 0.00 57.16 54.15 3acp n GLU 371 Cb 0.45 -3.18 0.53 0.00 -0.57 0.00 0.00 31.44 28.67 3acp n GLU 371 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3acp h PHE 372 N 5.91 0.00 0.00 -0.32 -0.00 -1.92 -2.87 116.94 117.74 3acp h PHE 372 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.50 3acp h PHE 372 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.58 3acp h PHE 372 CO 1.41 0.00 -0.19 0.39 -0.00 0.00 0.00 178.31 179.92 3acp n GLU 373 N -2.73 0.26 -3.10 6.09 1.02 -1.26 -4.30 120.64 116.61 3acp n GLU 373 Ca 0.02 0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 57.10 3acp n GLU 373 Cb 0.32 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 3acp n GLU 373 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3acp n THR 374 N -2.18 1.31 -2.23 2.62 -2.24 -1.08 -4.17 114.28 106.31 3acp n THR 374 Ca 0.05 -5.01 -0.36 0.00 -2.27 0.00 0.00 64.05 56.46 3acp n THR 374 Cb 0.43 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3acp n THR 374 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3acp s PRO 375 N -2.78 3.50 -0.15 -0.78 0.04 -1.26 -4.78 135.00 128.80 3acp s PRO 375 Ca 0.43 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 3acp s PRO 375 Cb 0.30 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3acp s PRO 375 CO -0.10 -0.75 -0.05 0.99 0.04 0.00 0.00 177.00 177.13 3acp s THR 376 N -1.64 3.79 -0.22 1.26 2.01 -0.67 -1.62 115.64 118.56 3acp s THR 376 Ca 0.69 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 3acp s THR 376 Cb -0.27 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 3acp s THR 376 CO 0.31 0.50 0.12 -0.36 -0.69 0.00 0.00 174.62 174.51 3acp s PHE 377 N 0.30 3.31 -0.70 4.92 0.08 0.30 0.04 117.98 126.22 3acp s PHE 377 Ca -0.04 0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.92 3acp s PHE 377 Cb -0.14 -2.19 0.05 0.00 -0.57 0.00 0.00 43.02 40.16 3acp s PHE 377 CO 0.03 0.11 1.15 -0.51 -0.10 0.00 0.00 175.22 175.91 3acp s LEU 378 N 0.75 3.66 -0.01 -0.37 2.01 -0.73 -0.19 118.68 123.80 3acp s LEU 378 Ca 0.06 -0.65 -0.30 0.00 0.01 0.00 0.00 54.13 53.26 3acp s LEU 378 Cb -0.13 -2.52 -0.06 0.00 0.01 0.00 0.00 46.19 43.49 3acp s LEU 378 CO 0.02 -1.67 1.59 -0.69 1.01 0.00 0.00 176.35 176.61 3acp s VAL 379 N 5.04 3.49 0.40 -1.59 1.01 0.09 -4.66 120.40 124.17 3acp s VAL 379 Ca 0.30 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.07 3acp s VAL 379 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3acp s VAL 379 CO 0.13 -0.04 0.12 -0.94 0.00 0.00 0.00 175.10 174.38 3acp s SER 380 N 2.76 2.75 -1.20 3.32 1.04 -1.26 -4.42 113.70 116.68 3acp s SER 380 Ca 0.71 -1.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.42 3acp s SER 380 Cb -0.34 0.45 0.22 0.00 0.10 0.00 0.00 66.02 66.44 3acp s SER 380 CO 0.29 -0.90 1.67 -3.20 0.98 0.00 0.00 173.24 172.08 3acp n ASN 381 N -1.23 5.54 -4.24 7.02 2.85 -1.26 -4.56 115.26 119.38 3acp n ASN 381 Ca -0.06 -3.19 -0.35 0.00 -0.11 0.00 0.00 54.58 50.88 3acp n ASN 381 Cb 0.65 -1.42 -0.04 0.00 1.24 0.00 0.00 39.78 40.21 3acp n ASN 381 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3acp n ASP 382 N 3.21 -2.29 -4.86 1.20 8.00 -1.26 -4.95 116.55 115.60 3acp n ASP 382 Ca 0.34 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 54.45 3acp n ASP 382 Cb 0.36 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 3acp n ASP 382 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3acp s ASP 383 N -3.54 6.72 -0.30 -2.24 1.01 -1.26 -4.78 116.67 112.27 3acp s ASP 383 Ca 0.58 1.11 -0.14 0.00 0.71 0.00 0.00 52.55 54.82 3acp s ASP 383 Cb -0.32 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3acp s ASP 383 CO 0.94 -0.12 0.30 -0.70 0.21 0.00 0.00 175.17 175.80 3acp s GLU 384 N -2.81 3.82 -0.33 8.23 2.12 -1.18 -4.42 118.70 124.12 3acp s GLU 384 Ca 0.50 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.27 3acp s GLU 384 Cb -0.11 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.58 3acp s GLU 384 CO 0.19 -0.33 1.16 0.08 -0.54 0.00 0.00 175.26 175.82 3acp s VAL 385 N 1.92 4.34 -0.02 3.70 1.01 -1.26 -3.55 120.40 126.54 3acp s VAL 385 Ca 0.11 1.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 3acp s VAL 385 Cb -0.16 -4.35 -0.31 0.00 0.00 0.00 0.00 36.38 31.57 3acp s VAL 385 CO 0.11 -0.55 0.78 0.28 0.00 0.00 0.00 175.10 175.73 3acp h SER 386 N 8.66 0.58 -5.00 3.32 0.02 -0.93 -3.47 113.55 116.73 3acp h SER 386 Ca -0.23 -0.80 -0.06 0.00 -0.84 0.00 0.00 61.79 59.86 3acp h SER 386 Cb 1.07 -0.19 -0.19 0.00 0.14 0.00 0.00 62.40 63.24 3acp h SER 386 CO 1.05 1.66 0.17 -1.10 -1.14 0.00 0.00 176.83 177.47 3acp s GLN 387 N -2.60 1.05 0.06 3.45 -1.52 -1.09 -4.90 119.66 114.11 3acp s GLN 387 Ca -0.13 0.20 0.01 0.00 -1.95 0.00 0.00 55.36 53.49 3acp s GLN 387 Cb 0.06 0.49 -0.04 0.00 -0.22 0.00 0.00 33.01 33.30 3acp s GLN 387 CO 0.87 -0.33 0.16 -0.06 -0.25 0.00 0.00 175.29 175.67 3acp s PHE 388 N -1.33 3.40 -0.06 0.91 0.08 -1.26 -2.25 117.98 117.47 3acp s PHE 388 Ca -0.10 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 3acp s PHE 388 Cb -0.00 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3acp s PHE 388 CO 0.09 0.57 0.10 0.00 -0.10 0.00 0.00 175.22 175.88 3acp s TYR 390 N 2.22 3.65 -0.37 0.00 5.04 -1.26 -0.49 117.35 126.14 3acp s TYR 390 Ca 0.04 1.66 0.04 0.00 -2.44 0.00 0.00 57.07 56.37 3acp s TYR 390 Cb -0.12 -3.15 0.10 0.00 0.35 0.00 0.00 41.96 39.15 3acp s TYR 390 CO -0.04 -0.13 0.09 0.08 -1.34 0.00 0.00 175.55 174.20 3acp s VAL 391 N 0.95 2.39 -0.14 3.14 1.01 -0.12 -4.91 120.40 122.72 3acp s VAL 391 Ca 0.52 -2.44 -0.24 0.00 0.00 0.00 0.00 61.98 59.82 3acp s VAL 391 Cb -0.22 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3acp s VAL 391 CO 0.28 -0.63 0.76 -0.94 0.00 0.00 0.00 175.10 174.57 3acp s SER 392 N 0.82 6.93 0.00 3.32 1.04 -1.26 -0.55 113.70 124.00 3acp s SER 392 Ca 0.12 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.68 3acp s SER 392 Cb -0.20 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3acp s SER 392 CO -0.07 -0.29 0.00 -0.67 0.98 0.00 0.00 173.24 173.20 3acp n ASP 393 N 4.71 0.00 0.02 7.02 -0.08 -1.23 -4.87 116.55 122.11 3acp n ASP 393 Ca 0.02 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 3acp n ASP 393 Cb 0.50 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.56 3acp n ASP 393 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3acp n ASP 394 N -1.77 0.27 -2.96 1.67 9.92 -1.26 -4.99 116.55 117.43 3acp n ASP 394 Ca 0.00 0.05 -0.20 0.00 -0.53 0.00 0.00 54.79 54.11 3acp n ASP 394 Cb 0.00 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.39 3acp n ASP 394 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3acp n GLU 395 N -3.10 1.97 -1.41 -1.24 0.28 -1.26 -4.95 120.64 110.92 3acp n GLU 395 Ca 0.00 -3.94 -0.14 0.00 -0.16 0.00 0.00 57.16 52.91 3acp n GLU 395 Cb 0.32 -1.86 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 3acp n GLU 395 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3acp n SER 396 N -0.02 -4.86 -1.59 -1.84 2.88 -1.26 -5.02 113.62 101.92 3acp n SER 396 Ca 0.26 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 3acp n SER 396 Cb 0.60 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 60.46 3acp n SER 396 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3acp n ASN 397 N -0.48 0.00 -3.46 -3.46 4.13 -1.26 -5.00 115.26 105.74 3acp n ASN 397 Ca -0.14 -0.74 -0.11 0.00 1.68 0.00 0.00 54.58 55.27 3acp n ASN 397 Cb 0.49 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.71 3acp n ASN 397 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3acp s GLY 398 N -1.85 -0.56 0.05 7.41 0.00 -1.26 -3.55 107.32 107.56 3acp s GLY 398 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 45.45 3acp s GLY 398 CO 0.00 0.29 -0.01 -0.54 0.00 0.00 0.00 173.10 172.84 3acp s GLU 399 N -3.31 0.61 -0.11 2.90 2.02 0.28 -3.09 118.70 118.00 3acp s GLU 399 Ca 0.01 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 53.86 3acp s GLU 399 Cb -0.01 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 3acp s GLU 399 CO -0.10 -0.12 -0.15 0.54 0.02 0.00 0.00 175.26 175.46 3acp s VAL 400 N -3.75 2.92 -0.21 2.63 0.11 0.02 -0.94 120.40 121.18 3acp s VAL 400 Ca 0.05 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 3acp s VAL 400 Cb 0.07 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 3acp s VAL 400 CO -0.09 0.54 0.08 -0.22 -3.33 0.00 0.00 175.10 172.08 3acp s LEU 401 N 0.12 3.75 -0.09 2.54 2.96 0.36 -0.68 118.68 127.64 3acp s LEU 401 Ca -0.07 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3acp s LEU 401 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3acp s LEU 401 CO 0.05 0.10 0.01 -1.61 -1.32 0.00 0.00 176.35 173.58 3acp s GLU 402 N 0.82 3.08 0.10 1.98 2.02 0.24 -0.31 118.70 126.63 3acp s GLU 402 Ca 0.04 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 54.72 3acp s GLU 402 Cb -0.13 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 3acp s GLU 402 CO 0.02 0.67 -0.19 0.14 0.02 0.00 0.00 175.26 175.93 3acp s VAL 403 N -0.80 1.57 0.00 2.63 -7.23 -0.95 -0.64 120.40 114.99 3acp s VAL 403 Ca 0.12 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3acp s VAL 403 Cb -0.12 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3acp s VAL 403 CO 0.02 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3acp n GLY 404 N 1.11 2.24 3.73 2.32 0.00 0.15 -0.30 105.19 114.43 3acp n GLY 404 Ca -0.20 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 3acp n GLY 404 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acp s LYS 405 N 0.13 1.71 -1.37 1.61 -0.14 -1.23 -1.21 119.74 119.24 3acp s LYS 405 Ca 0.00 1.35 -0.07 0.00 -1.36 0.00 0.00 55.97 55.89 3acp s LYS 405 Cb 0.00 -1.82 0.03 0.00 -1.68 0.00 0.00 37.83 34.36 3acp s LYS 405 CO 0.00 -2.08 0.99 -1.71 -0.76 0.00 0.00 175.35 171.79 3acp n ASN 406 N -3.81 -4.02 -1.84 2.83 5.15 -1.26 -2.73 115.26 109.58 3acp n ASN 406 Ca 0.10 -0.68 -0.18 0.00 -0.60 0.00 0.00 54.58 53.22 3acp n ASN 406 Cb 0.53 -4.53 -0.03 0.00 -0.53 0.00 0.00 39.78 35.22 3acp n ASN 406 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3acp n ASN 407 N -3.00 -5.21 -4.66 1.20 5.15 -0.29 -4.94 115.26 103.52 3acp n ASN 407 Ca -0.10 0.13 -0.43 0.00 -0.60 0.00 0.00 54.58 53.58 3acp n ASN 407 Cb 0.60 -4.29 -0.02 0.00 -0.53 0.00 0.00 39.78 35.54 3acp n ASN 407 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3acp s PHE 408 N -2.82 2.70 -0.33 1.20 5.36 -1.11 -4.68 117.98 118.30 3acp s PHE 408 Ca 0.00 0.88 0.04 0.00 -0.96 0.00 0.00 56.93 56.90 3acp s PHE 408 Cb 0.00 -3.61 0.17 0.00 -0.34 0.00 0.00 43.02 39.24 3acp s PHE 408 CO 0.00 -1.98 0.49 0.00 -1.46 0.00 0.00 175.22 172.27 3acp s ALA 410 N 2.31 0.89 -0.06 0.00 0.00 0.19 -0.22 121.76 124.87 3acp s ALA 410 Ca 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 3acp s ALA 410 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3acp s ALA 410 CO -0.21 0.16 0.10 -1.17 0.00 0.00 0.00 175.76 174.64 3acp s LEU 411 N 0.10 4.05 -0.03 0.00 2.96 -0.35 -0.59 118.68 124.81 3acp s LEU 411 Ca -0.02 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3acp s LEU 411 Cb -0.08 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3acp s LEU 411 CO 0.00 0.34 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.96 3acp s TYR 412 N -1.09 1.10 0.18 5.38 2.02 0.15 -1.38 117.35 123.71 3acp s TYR 412 Ca 0.19 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 3acp s TYR 412 Cb -0.12 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 40.59 3acp s TYR 412 CO 0.09 -0.12 1.02 1.21 -1.57 0.00 0.00 175.55 176.17 3acp s ASN 413 N 0.20 7.44 -0.10 2.29 3.84 -1.26 -0.80 114.94 126.55 3acp s ASN 413 Ca -0.04 1.98 0.16 0.00 0.21 0.00 0.00 52.86 55.17 3acp s ASN 413 Cb -0.10 -2.60 -0.24 0.00 -0.55 0.00 0.00 41.25 37.77 3acp s ASN 413 CO 0.01 -0.07 0.20 0.18 -2.79 0.00 0.00 177.10 174.63 3acp n LEU 414 N 2.17 0.00 -4.81 3.21 4.32 -1.18 -4.90 117.00 115.80 3acp n LEU 414 Ca 0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.69 3acp n LEU 414 Cb 0.47 0.23 0.04 0.00 -1.62 0.00 0.00 43.42 42.54 3acp n LEU 414 CO 0.52 0.23 0.71 -0.44 -1.22 0.00 0.00 177.39 177.19 3acp s SER 415 N -4.61 5.47 -0.17 -1.43 0.01 -1.26 -5.00 113.70 106.72 3acp s SER 415 Ca -0.07 1.67 -0.06 0.00 1.31 0.00 0.00 55.95 58.79 3acp s SER 415 Cb 0.08 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3acp s SER 415 CO 0.71 -1.38 0.04 0.21 0.41 0.00 0.00 173.24 173.23 3acp s ASN 416 N -3.54 5.50 0.00 2.44 2.47 -1.26 -5.06 114.94 115.49 3acp s ASN 416 Ca 0.59 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.94 3acp s ASN 416 Cb -0.14 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 3acp s ASN 416 CO 0.50 0.20 0.00 -2.65 -3.72 0.00 0.00 177.10 171.44