#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg6 s ARG 7 N 0.00 0.38 0.27 5.56 3.52 -0.67 -4.80 118.95 123.21 1pg6 s ARG 7 Ca 0.00 0.85 0.08 0.00 -0.13 0.00 0.00 55.73 56.53 1pg6 s ARG 7 Cb 0.00 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 1pg6 s ARG 7 CO 0.00 -0.18 -0.11 -0.59 -0.81 0.00 0.00 175.30 173.61 1pg6 s PHE 8 N 1.69 2.02 -0.23 5.12 -0.12 -1.26 0.74 117.98 125.94 1pg6 s PHE 8 Ca -0.08 -0.57 -0.03 0.00 -0.05 0.00 0.00 56.93 56.21 1pg6 s PHE 8 Cb -0.09 -1.05 0.10 0.00 -0.63 0.00 0.00 43.02 41.35 1pg6 s PHE 8 CO -0.13 0.43 0.22 0.99 -0.05 0.00 0.00 175.22 176.68 1pg6 s THR 9 N -2.84 -0.29 -0.12 -4.49 2.01 0.36 -4.98 115.64 105.29 1pg6 s THR 9 Ca 0.28 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 1pg6 s THR 9 Cb 0.01 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1pg6 s THR 9 CO 0.12 -0.35 0.79 -0.63 -0.69 0.00 0.00 174.62 173.85 1pg6 s ILE 10 N 2.29 4.94 0.24 1.82 1.01 -1.26 -1.61 121.20 128.62 1pg6 s ILE 10 Ca 0.07 1.58 -0.31 0.00 0.00 0.00 0.00 60.65 61.99 1pg6 s ILE 10 Cb -0.15 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 1pg6 s ILE 10 CO -0.21 0.12 1.57 -0.67 0.00 0.00 0.00 174.94 175.75 1pg6 n ASP 11 N 4.62 3.47 -0.05 3.58 2.03 -0.89 -4.91 116.55 124.41 1pg6 n ASP 11 Ca 0.02 1.12 -0.02 0.00 0.52 0.00 0.00 54.79 56.43 1pg6 n ASP 11 Cb 0.50 -1.52 -0.15 0.00 -0.72 0.00 0.00 41.12 39.23 1pg6 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pg6 n GLN 12 N 2.70 0.66 -1.47 -0.67 6.02 -1.26 -4.76 117.38 118.60 1pg6 n GLN 12 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1pg6 n GLN 12 Cb 0.34 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 1pg6 n GLN 12 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pg6 n ASN 13 N -2.66 7.44 0.00 1.08 3.02 -1.26 -5.11 115.26 117.77 1pg6 n ASN 13 Ca -0.20 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 1pg6 n ASN 13 Cb 0.93 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1pg6 n ASN 13 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1pg6 n GLN 15 N 2.37 0.00 -3.85 3.52 7.27 -1.26 -5.08 117.38 120.34 1pg6 n GLN 15 Ca 0.62 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.34 1pg6 n GLN 15 Cb 0.43 -0.95 -0.13 0.00 2.41 0.00 0.00 30.24 32.01 1pg6 n GLN 15 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1pg6 s PHE 16 N -1.99 3.65 0.64 3.69 0.08 -1.26 -4.79 117.98 117.99 1pg6 s PHE 16 Ca 0.00 -2.61 -0.17 0.00 0.12 0.00 0.00 56.93 54.27 1pg6 s PHE 16 Cb 0.00 -3.13 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1pg6 s PHE 16 CO 0.00 -0.96 1.14 -1.25 -0.10 0.00 0.00 175.22 174.05 1pg6 s PRO 17 N 1.05 2.84 0.12 0.24 0.04 -1.26 -5.07 135.00 132.95 1pg6 s PRO 17 Ca 0.09 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.80 1pg6 s PRO 17 Cb -0.22 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1pg6 s PRO 17 CO -0.05 -1.25 -0.24 -1.17 0.04 0.00 0.00 177.00 174.32 1pg6 s LEU 18 N -4.56 2.43 -0.17 -3.56 2.96 -1.26 -4.54 118.68 109.99 1pg6 s LEU 18 Ca 0.71 -0.67 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1pg6 s LEU 18 Cb -0.24 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.13 1pg6 s LEU 18 CO 0.38 0.19 -0.20 0.54 -1.32 0.00 0.00 176.35 175.93 1pg6 s VAL 19 N -1.07 2.12 -0.18 1.68 0.11 -0.63 -2.09 120.40 120.34 1pg6 s VAL 19 Ca 0.15 -0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 1pg6 s VAL 19 Cb -0.10 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1pg6 s VAL 19 CO 0.07 0.54 0.37 -1.61 -3.33 0.00 0.00 175.10 171.14 1pg6 s GLU 20 N 1.12 4.22 -0.09 1.54 2.02 -0.64 -1.16 118.70 125.72 1pg6 s GLU 20 Ca 0.01 0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.23 1pg6 s GLU 20 Cb -0.14 -3.49 -0.00 0.00 0.10 0.00 0.00 34.13 30.60 1pg6 s GLU 20 CO -0.09 0.08 -0.23 0.42 0.02 0.00 0.00 175.26 175.47 1pg6 s ILE 21 N 0.93 2.17 -0.20 -1.63 1.01 0.78 -0.49 121.20 123.77 1pg6 s ILE 21 Ca 0.19 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1pg6 s ILE 21 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1pg6 s ILE 21 CO 0.07 0.56 0.03 -1.81 0.00 0.00 0.00 174.94 173.79 1pg6 s ASP 22 N 0.19 5.11 -0.12 3.58 1.11 0.23 -1.62 116.67 125.15 1pg6 s ASP 22 Ca -0.14 -0.12 0.01 0.00 0.18 0.00 0.00 52.55 52.49 1pg6 s ASP 22 Cb -0.17 -1.88 -0.01 0.00 1.07 0.00 0.00 42.92 41.93 1pg6 s ASP 22 CO 0.07 0.09 -0.15 -0.76 1.18 0.00 0.00 175.17 175.60 1pg6 s LEU 23 N 0.88 2.61 0.80 1.23 1.43 0.27 -1.67 118.68 124.23 1pg6 s LEU 23 Ca 0.02 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1pg6 s LEU 23 Cb -0.14 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.59 1pg6 s LEU 23 CO 0.02 0.18 1.15 -1.61 0.23 0.00 0.00 176.35 176.33 1pg6 s GLU 24 N 0.25 1.93 0.20 1.70 2.02 -1.26 -0.36 118.70 123.18 1pg6 s GLU 24 Ca -0.10 -0.00 -0.32 0.00 0.02 0.00 0.00 54.97 54.56 1pg6 s GLU 24 Cb -0.16 -1.99 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 1pg6 s GLU 24 CO 0.06 -1.57 1.50 1.58 0.02 0.00 0.00 175.26 176.85 1pg6 n HIS 25 N -3.26 2.25 -0.75 1.61 -0.00 -1.07 -0.63 115.22 113.39 1pg6 n HIS 25 Ca 0.08 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 1pg6 n HIS 25 Cb 0.61 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 1pg6 n HIS 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pg6 n GLY 26 N 2.76 1.30 3.83 1.57 0.00 -0.39 -4.85 105.19 109.40 1pg6 n GLY 26 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pg6 n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pg6 s GLY 27 N -2.00 2.25 0.18 -0.02 0.00 0.20 -4.83 107.32 103.11 1pg6 s GLY 27 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.98 1pg6 s GLY 27 CO 0.00 0.60 0.23 -1.35 0.00 0.00 0.00 173.10 172.58 1pg6 s SER 28 N -2.58 0.10 -0.21 1.64 1.04 -1.26 -1.56 113.70 110.88 1pg6 s SER 28 Ca 0.61 -1.10 -0.19 0.00 0.48 0.00 0.00 55.95 55.75 1pg6 s SER 28 Cb -0.10 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.49 1pg6 s SER 28 CO 0.23 -0.89 0.56 0.54 0.98 0.00 0.00 173.24 174.65 1pg6 s VAL 29 N -4.05 -0.00 0.15 5.02 0.11 -0.78 -1.50 120.40 119.35 1pg6 s VAL 29 Ca 0.26 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 1pg6 s VAL 29 Cb 0.04 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1pg6 s VAL 29 CO 0.06 0.00 0.70 -0.31 -3.33 0.00 0.00 175.10 172.22 1pg6 s TYR 30 N 0.31 3.82 0.02 1.54 1.51 0.41 -1.15 117.35 123.81 1pg6 s TYR 30 Ca -0.00 1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 57.50 1pg6 s TYR 30 Cb -0.04 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 1pg6 s TYR 30 CO 0.01 0.49 0.04 -0.48 -1.11 0.00 0.00 175.55 174.50 1pg6 s LEU 31 N -1.35 1.97 0.12 -1.29 2.34 0.11 -1.18 118.68 119.41 1pg6 s LEU 31 Ca 0.36 -0.45 -0.33 0.00 0.06 0.00 0.00 54.13 53.76 1pg6 s LEU 31 Cb -0.20 0.37 -0.13 0.00 -0.56 0.00 0.00 46.19 45.67 1pg6 s LEU 31 CO 0.23 -0.38 1.69 1.67 -1.06 0.00 0.00 176.35 178.50 1pg6 n GLN 32 N 1.30 2.34 -1.63 1.48 7.27 -0.23 -0.92 117.38 126.99 1pg6 n GLN 32 Ca -0.22 0.85 -0.48 0.00 0.07 0.00 0.00 57.00 57.22 1pg6 n GLN 32 Cb 0.56 -2.66 -0.05 0.00 2.41 0.00 0.00 30.24 30.50 1pg6 n GLN 32 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1pg6 n GLN 33 N 4.41 1.66 -0.98 3.69 7.27 0.31 -1.10 117.38 132.64 1pg6 n GLN 33 Ca 0.18 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.85 1pg6 n GLN 33 Cb 0.31 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.69 1pg6 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pg6 n GLY 34 N 2.74 0.99 3.56 1.69 0.00 -1.26 -5.03 105.19 107.89 1pg6 n GLY 34 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1pg6 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pg6 s SER 35 N -2.99 6.32 0.00 1.61 1.04 -0.26 -4.94 113.70 114.48 1pg6 s SER 35 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1pg6 s SER 35 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1pg6 s SER 35 CO 0.00 -1.68 0.00 0.52 0.98 0.00 0.00 173.24 173.06 1pg6 n VAL 37 N 6.98 0.00 -3.57 5.02 0.31 0.63 -0.48 118.33 127.21 1pg6 n VAL 37 Ca 0.37 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.63 1pg6 n VAL 37 Cb 0.50 -0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.40 1pg6 n VAL 37 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1pg6 s TYR 38 N -1.36 -0.28 0.05 3.52 1.13 -1.21 -4.99 117.35 114.21 1pg6 s TYR 38 Ca 0.00 0.10 -0.27 0.00 -1.41 0.00 0.00 57.07 55.49 1pg6 s TYR 38 Cb 0.00 0.56 0.07 0.00 -1.10 0.00 0.00 41.96 41.50 1pg6 s TYR 38 CO 0.00 -0.61 0.66 -3.38 -2.51 0.00 0.00 175.55 169.71 1pg6 s HIS 39 N -3.14 -0.58 0.73 -3.49 -3.43 -1.26 -0.93 115.29 103.19 1pg6 s HIS 39 Ca 0.07 0.67 -0.11 0.00 -0.80 0.00 0.00 55.06 54.89 1pg6 s HIS 39 Cb -0.01 0.49 0.03 0.00 -1.43 0.00 0.00 32.58 31.66 1pg6 s HIS 39 CO -0.06 -0.72 1.08 0.95 -2.00 0.00 0.00 174.74 174.00 1pg6 s THR 40 N -2.55 3.52 0.34 -5.38 -4.23 0.08 -4.93 115.64 102.48 1pg6 s THR 40 Ca -0.04 0.53 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1pg6 s THR 40 Cb -0.01 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 71.07 1pg6 s THR 40 CO -0.03 -0.61 1.85 -0.08 -0.54 0.00 0.00 174.62 175.22 1pg6 h GLU 41 N -0.79 0.72 0.00 3.99 4.57 -1.99 -1.32 114.58 119.77 1pg6 h GLU 41 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1pg6 h GLU 41 Cb 1.23 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1pg6 h GLU 41 CO 0.53 0.48 0.00 0.27 -1.18 0.00 0.00 179.01 179.11 1pg6 n ASN 42 N -4.59 0.00 -4.39 1.04 2.04 -1.26 -4.66 115.26 103.43 1pg6 n ASN 42 Ca 0.18 -1.48 -0.36 0.00 -0.44 0.00 0.00 54.58 52.49 1pg6 n ASN 42 Cb 0.47 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.59 1pg6 n ASN 42 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1pg6 s VAL 43 N -2.00 3.86 -0.07 3.53 1.01 -0.50 -1.24 120.40 124.99 1pg6 s VAL 43 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1pg6 s VAL 43 Cb 0.04 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1pg6 s VAL 43 CO 0.06 0.39 -0.06 0.28 0.00 0.00 0.00 175.10 175.77 1pg6 s THR 44 N 1.40 3.76 -0.29 3.92 -1.32 -1.26 -4.84 115.64 117.01 1pg6 s THR 44 Ca 0.05 -0.46 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1pg6 s THR 44 Cb -0.15 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1pg6 s THR 44 CO 0.01 0.60 0.19 -0.22 -2.21 0.00 0.00 174.62 172.98 1pg6 s LEU 45 N -0.78 4.11 -0.00 9.08 2.96 -1.26 -4.31 118.68 128.47 1pg6 s LEU 45 Ca 0.12 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1pg6 s LEU 45 Cb -0.11 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1pg6 s LEU 45 CO 0.02 -0.10 -0.10 0.21 -1.32 0.00 0.00 176.35 175.05 1pg6 s ASN 46 N 1.73 4.35 0.38 3.68 2.47 0.62 -4.99 114.94 123.18 1pg6 s ASN 46 Ca 0.07 -0.20 0.04 0.00 0.42 0.00 0.00 52.86 53.18 1pg6 s ASN 46 Cb -0.16 -0.95 -0.03 0.00 -1.45 0.00 0.00 41.25 38.66 1pg6 s ASN 46 CO 0.10 0.29 0.15 0.42 -3.72 0.00 0.00 177.10 174.34 1pg6 s THR 47 N -0.92 0.52 -1.93 -5.21 -4.23 -1.26 -1.53 115.64 101.08 1pg6 s THR 47 Ca 0.15 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.97 1pg6 s THR 47 Cb -0.11 -2.42 0.70 0.00 1.34 0.00 0.00 72.50 72.01 1pg6 s THR 47 CO 0.05 0.00 2.04 0.29 -0.54 0.00 0.00 174.62 176.47 1pg6 n LYS 48 N -0.81 0.96 -1.15 3.99 4.01 -1.26 -3.51 118.16 120.40 1pg6 n LYS 48 Ca -0.03 -0.21 -0.20 0.00 -0.51 0.00 0.00 58.31 57.36 1pg6 n LYS 48 Cb 0.65 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.84 1pg6 n LYS 48 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1pg6 n LEU 49 N -0.83 6.06 -2.40 -0.35 4.77 -1.26 -4.86 117.00 118.12 1pg6 n LEU 49 Ca 0.20 -3.78 -0.08 0.00 -0.03 0.00 0.00 56.01 52.32 1pg6 n LEU 49 Cb 0.21 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 1pg6 n LEU 49 CO 0.20 1.20 1.22 -0.46 -1.33 0.00 0.00 177.39 178.21 1pg6 n ASN 50 N -1.10 2.79 -2.53 -1.43 0.23 -1.23 -5.19 115.26 106.80 1pg6 n ASN 50 Ca 0.52 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1pg6 n ASN 50 Cb 1.36 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1pg6 n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pg6 n GLY 55 N 2.92 -2.32 3.73 4.83 0.00 -1.26 -5.13 105.19 107.97 1pg6 n GLY 55 Ca 0.23 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1pg6 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pg6 s LEU 56 N 0.00 3.41 0.00 0.99 2.96 -1.26 -4.73 118.68 120.05 1pg6 s LEU 56 Ca 0.00 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1pg6 s LEU 56 Cb 0.00 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1pg6 s LEU 56 CO 0.00 -2.04 0.00 0.61 -1.32 0.00 0.00 176.35 173.60 1pg6 n GLY 57 N 0.32 2.37 2.70 7.98 0.00 -1.26 -4.88 105.19 112.43 1pg6 n GLY 57 Ca 0.13 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1pg6 n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg6 n LYS 58 N 0.17 -1.71 0.02 1.61 4.76 -1.26 -4.54 118.16 117.21 1pg6 n LYS 58 Ca 0.00 0.80 0.11 0.00 -2.87 0.00 0.00 58.31 56.35 1pg6 n LYS 58 Cb 0.00 -5.16 -0.11 0.00 -1.84 0.00 0.00 35.03 27.93 1pg6 n LYS 58 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1pg6 n LEU 59 N -1.15 0.32 0.12 -0.35 -0.00 -1.26 -2.01 117.00 112.68 1pg6 n LEU 59 Ca -0.10 0.04 -0.01 0.00 -0.00 0.00 0.00 56.01 55.94 1pg6 n LEU 59 Cb 0.55 -0.02 0.05 0.00 -0.00 0.00 0.00 43.42 44.00 1pg6 n LEU 59 CO 0.15 -0.02 0.39 0.58 -0.00 0.00 0.00 177.39 178.48 1pg6 h VAL 60 N 0.00 1.30 0.00 1.47 2.07 -1.95 -1.06 116.25 118.09 1pg6 h VAL 60 Ca 0.00 -2.53 -0.18 0.00 0.82 0.00 0.00 66.70 64.80 1pg6 h VAL 60 Cb 0.94 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 1pg6 h VAL 60 CO 0.00 0.68 -0.87 1.23 0.02 0.00 0.00 177.57 178.63 1pg6 h GLY 61 N 2.73 0.00 0.70 2.17 0.00 -1.82 0.36 103.07 107.21 1pg6 h GLY 61 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1pg6 h GLY 61 CO 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.63 1pg6 h ALA 62 N 1.13 0.04 -0.51 3.60 0.00 -0.87 -1.09 119.26 121.57 1pg6 h ALA 62 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1pg6 h ALA 62 Cb 1.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1pg6 h ALA 62 CO 0.11 -0.29 -0.17 0.82 0.00 0.00 0.00 179.25 179.73 1pg6 h ILE 63 N -0.25 1.27 -0.59 0.00 2.04 -1.20 -3.07 117.51 115.70 1pg6 h ILE 63 Ca 0.01 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.58 1pg6 h ILE 63 Cb 0.33 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1pg6 h ILE 63 CO 0.00 0.46 0.33 1.23 0.00 0.00 0.00 178.15 180.18 1pg6 h GLY 64 N 0.90 0.85 1.97 5.37 0.00 -0.13 -2.76 103.07 109.28 1pg6 h GLY 64 Ca 0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1pg6 h GLY 64 CO 0.06 0.17 -0.54 3.21 0.00 0.00 0.00 176.54 179.44 1pg6 h ARG 65 N 0.64 0.03 -1.77 4.80 3.08 -1.19 -3.26 114.38 116.72 1pg6 h ARG 65 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1pg6 h ARG 65 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1pg6 h ARG 65 CO -0.14 0.56 0.00 -1.13 -1.07 0.00 0.00 179.97 178.19 1pg6 n SER 66 N -3.90 2.64 0.00 7.04 3.41 -1.04 -1.34 113.62 120.43 1pg6 n SER 66 Ca -0.01 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1pg6 n SER 66 Cb 0.55 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1pg6 n SER 66 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pg6 n VAL 68 N 1.31 0.00 0.75 -3.33 3.14 -1.23 -0.54 118.33 118.43 1pg6 n VAL 68 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1pg6 n VAL 68 Cb 0.30 0.00 0.49 0.00 -1.06 0.00 0.00 33.84 33.57 1pg6 n VAL 68 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1pg6 n SER 69 N 0.00 0.47 0.00 6.55 3.41 -0.45 -4.90 113.62 118.71 1pg6 n SER 69 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1pg6 n SER 69 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1pg6 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pg6 n GLY 70 N 1.28 0.47 3.92 5.00 0.00 0.29 -5.01 105.19 111.14 1pg6 n GLY 70 Ca 0.06 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 1pg6 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg6 s GLU 71 N -0.66 2.87 0.00 1.61 2.02 -0.33 -4.54 118.70 119.67 1pg6 s GLU 71 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1pg6 s GLU 71 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1pg6 s GLU 71 CO 0.00 -0.71 0.00 0.45 0.02 0.00 0.00 175.26 175.02 1pg6 n SER 72 N -2.56 0.64 -0.08 -0.19 2.88 -1.26 -4.83 113.62 108.22 1pg6 n SER 72 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1pg6 n SER 72 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1pg6 n SER 72 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1pg6 n PHE 74 N 0.00 -0.04 -4.36 0.66 3.01 -1.26 -4.84 117.46 110.62 1pg6 n PHE 74 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1pg6 n PHE 74 Cb 0.00 -0.04 -0.17 0.00 -0.01 0.00 0.00 39.48 39.27 1pg6 n PHE 74 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1pg6 s ILE 75 N -0.04 1.23 0.44 4.37 1.01 -1.26 -0.53 121.20 126.42 1pg6 s ILE 75 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1pg6 s ILE 75 Cb 0.00 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1pg6 s ILE 75 CO 0.00 0.39 0.23 0.42 0.00 0.00 0.00 174.94 175.97 1pg6 s THR 76 N 1.04 2.14 -0.03 2.92 -4.23 -0.10 -4.85 115.64 112.54 1pg6 s THR 76 Ca -0.07 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1pg6 s THR 76 Cb -0.15 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1pg6 s THR 76 CO -0.01 0.00 -0.07 -1.58 -0.54 0.00 0.00 174.62 172.41 1pg6 s GLN 77 N -3.99 0.88 0.57 3.99 0.74 -0.58 0.06 119.66 121.33 1pg6 s GLN 77 Ca 0.38 -0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.63 1pg6 s GLN 77 Cb 0.02 -0.83 0.07 0.00 1.10 0.00 0.00 33.01 33.36 1pg6 s GLN 77 CO 0.21 0.05 0.59 0.00 -0.55 0.00 0.00 175.29 175.60 1pg6 s ALA 78 N 0.37 4.60 -0.28 1.58 0.00 -0.30 -0.28 121.76 127.46 1pg6 s ALA 78 Ca -0.05 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 1pg6 s ALA 78 Cb -0.10 -1.05 0.09 0.00 0.00 0.00 0.00 23.12 22.06 1pg6 s ALA 78 CO 0.00 -0.67 0.78 0.45 0.00 0.00 0.00 175.76 176.33 1pg6 s SER 80 N -4.48 -0.75 -0.68 0.00 0.15 -0.60 -1.86 113.70 105.48 1pg6 s SER 80 Ca 0.46 1.31 -0.04 0.00 0.70 0.00 0.00 55.95 58.38 1pg6 s SER 80 Cb -0.04 1.32 0.18 0.00 -1.71 0.00 0.00 66.02 65.77 1pg6 s SER 80 CO 0.29 -0.22 0.52 0.21 1.20 0.00 0.00 173.24 175.24 1pg6 s ASN 81 N 0.97 5.51 0.00 5.45 3.04 -0.38 -1.26 114.94 128.27 1pg6 s ASN 81 Ca -0.05 -2.91 0.00 0.00 0.04 0.00 0.00 52.86 49.95 1pg6 s ASN 81 Cb -0.05 -1.91 0.00 0.00 -1.54 0.00 0.00 41.25 37.75 1pg6 s ASN 81 CO -0.10 -0.38 0.00 0.61 -3.04 0.00 0.00 177.10 174.19 1pg6 n GLY 82 N 3.45 -1.70 3.66 1.21 0.00 -1.26 -4.83 105.19 105.72 1pg6 n GLY 82 Ca 0.10 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1pg6 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg6 s ASP 83 N -4.00 6.98 0.26 1.61 1.01 -1.26 -2.58 116.67 118.68 1pg6 s ASP 83 Ca 0.00 1.65 0.04 0.00 0.71 0.00 0.00 52.55 54.95 1pg6 s ASP 83 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1pg6 s ASP 83 CO 0.00 -0.73 0.02 -0.83 0.21 0.00 0.00 175.17 173.84 1pg6 s GLY 84 N 1.81 1.71 0.04 0.21 0.00 0.51 -4.97 107.32 106.63 1pg6 s GLY 84 Ca 0.53 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1pg6 s GLY 84 CO 0.14 -1.70 -0.06 0.54 0.00 0.00 0.00 173.10 172.01 1pg6 s LYS 85 N -3.88 0.52 0.12 2.90 1.02 -1.26 -0.57 119.74 118.59 1pg6 s LYS 85 Ca 0.31 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 1pg6 s LYS 85 Cb 0.06 -0.14 0.05 0.00 -0.52 0.00 0.00 37.83 37.28 1pg6 s LYS 85 CO 0.11 0.00 0.51 -0.48 -0.92 0.00 0.00 175.35 174.58 1pg6 s LEU 86 N -1.83 -0.11 -0.02 3.17 2.34 -0.64 -0.74 118.68 120.85 1pg6 s LEU 86 Ca -0.07 -0.07 0.04 0.00 0.06 0.00 0.00 54.13 54.08 1pg6 s LEU 86 Cb -0.07 2.22 -0.00 0.00 -0.56 0.00 0.00 46.19 47.78 1pg6 s LEU 86 CO -0.01 -0.87 -0.12 0.00 -1.06 0.00 0.00 176.35 174.28 1pg6 s ALA 87 N -3.47 1.06 0.18 1.48 0.00 -0.11 -0.15 121.76 120.75 1pg6 s ALA 87 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1pg6 s ALA 87 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1pg6 s ALA 87 CO -0.10 0.22 -0.23 -0.51 0.00 0.00 0.00 175.76 175.14 1pg6 s LEU 88 N -0.10 2.46 -0.04 0.00 1.43 -0.31 -0.27 118.68 121.85 1pg6 s LEU 88 Ca 0.01 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1pg6 s LEU 88 Cb -0.07 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1pg6 s LEU 88 CO 0.00 0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.64 1pg6 s ALA 89 N -1.59 0.77 0.63 4.21 0.00 0.36 -1.60 121.76 124.54 1pg6 s ALA 89 Ca 0.20 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 1pg6 s ALA 89 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1pg6 s ALA 89 CO 0.10 0.06 1.19 -2.14 0.00 0.00 0.00 175.76 174.97 1pg6 s PRO 90 N 0.60 2.78 0.00 0.00 0.02 -1.26 -4.54 135.00 132.59 1pg6 s PRO 90 Ca -0.09 1.76 0.30 0.00 0.02 0.00 0.00 61.00 62.98 1pg6 s PRO 90 Cb -0.12 -1.91 1.41 0.00 0.02 0.00 0.00 34.50 33.90 1pg6 s PRO 90 CO 0.01 -1.34 1.99 0.27 -0.33 0.00 0.00 177.00 177.59 1pg6 n ASN 91 N -1.93 0.13 -4.18 2.53 0.23 -1.26 -4.82 115.26 105.96 1pg6 n ASN 91 Ca 0.13 -0.23 -0.20 0.00 -0.53 0.00 0.00 54.58 53.76 1pg6 n ASN 91 Cb 0.50 -0.23 -0.12 0.00 -2.08 0.00 0.00 39.78 37.85 1pg6 n ASN 91 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1pg6 s THR 92 N -2.58 1.20 -0.00 5.53 -4.23 -1.26 -5.11 115.64 109.20 1pg6 s THR 92 Ca 0.28 -1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 59.22 1pg6 s THR 92 Cb 0.20 -1.13 -0.07 0.00 1.34 0.00 0.00 72.50 72.84 1pg6 s THR 92 CO 0.47 -0.14 1.73 -2.84 -0.54 0.00 0.00 174.62 173.30 1pg6 s PRO 93 N -1.61 4.18 0.00 3.99 0.02 -1.26 -4.80 135.00 135.51 1pg6 s PRO 93 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1pg6 s PRO 93 Cb -0.09 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.49 1pg6 s PRO 93 CO 0.02 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1pg6 n GLY 94 N 4.20 -0.90 3.53 0.52 0.00 -1.24 -1.18 105.19 110.12 1pg6 n GLY 94 Ca 0.18 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1pg6 n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pg6 s GLN 95 N -0.55 1.81 -0.01 1.61 -0.21 -1.21 -4.40 119.66 116.70 1pg6 s GLN 95 Ca 0.00 -2.04 0.05 0.00 0.02 0.00 0.00 55.36 53.39 1pg6 s GLN 95 Cb 0.00 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 32.90 1pg6 s GLN 95 CO 0.00 -0.20 -0.16 0.42 -2.12 0.00 0.00 175.29 173.22 1pg6 s ILE 96 N -3.10 1.29 -0.04 1.08 1.01 -1.26 -1.27 121.20 118.92 1pg6 s ILE 96 Ca 0.32 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1pg6 s ILE 96 Cb 0.08 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1pg6 s ILE 96 CO 0.15 0.35 -0.12 0.54 0.00 0.00 0.00 174.94 175.87 1pg6 s VAL 97 N -0.40 1.02 -0.18 2.92 0.11 -0.00 -4.98 120.40 118.89 1pg6 s VAL 97 Ca 0.06 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1pg6 s VAL 97 Cb -0.06 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1pg6 s VAL 97 CO -0.01 0.31 0.09 0.00 -3.33 0.00 0.00 175.10 172.17 1pg6 s ALA 98 N 0.25 3.54 -0.09 1.54 0.00 -1.26 -0.99 121.76 124.75 1pg6 s ALA 98 Ca -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1pg6 s ALA 98 Cb -0.11 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.03 1pg6 s ALA 98 CO 0.01 0.23 -0.16 -0.51 0.00 0.00 0.00 175.76 175.33 1pg6 s LEU 99 N 0.19 1.79 0.05 0.00 1.43 0.56 -4.97 118.68 117.73 1pg6 s LEU 99 Ca 0.06 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1pg6 s LEU 99 Cb -0.12 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 1pg6 s LEU 99 CO -0.00 0.06 1.06 -0.70 0.23 0.00 0.00 176.35 176.99 1pg6 s GLU 100 N 0.72 4.54 -0.05 1.70 2.56 -1.26 -0.71 118.70 126.20 1pg6 s GLU 100 Ca -0.12 1.56 -0.02 0.00 0.00 0.00 0.00 54.97 56.39 1pg6 s GLU 100 Cb -0.16 -3.39 -0.04 0.00 2.00 0.00 0.00 34.13 32.54 1pg6 s GLU 100 CO 0.03 -0.06 0.08 -0.51 -0.56 0.00 0.00 175.26 174.23 1pg6 s LEU 101 N 0.74 3.93 0.00 2.70 1.43 0.93 -4.69 118.68 123.71 1pg6 s LEU 101 Ca 0.53 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1pg6 s LEU 101 Cb -0.25 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1pg6 s LEU 101 CO 0.29 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.81 1pg6 n GLY 102 N 1.59 -1.23 0.26 -3.19 0.00 -1.20 -3.30 105.19 98.13 1pg6 n GLY 102 Ca -0.16 0.48 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1pg6 n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pg6 h GLU 103 N 0.00 0.00 -6.59 1.61 5.08 -1.91 -3.41 114.58 109.36 1pg6 h GLU 103 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1pg6 h GLU 103 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1pg6 h GLU 103 CO 0.00 0.12 -0.84 0.15 -1.00 0.00 0.00 179.01 177.44 1pg6 s LYS 104 N -4.07 2.07 0.21 2.33 1.02 -1.26 -5.09 119.74 114.95 1pg6 s LYS 104 Ca -0.02 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.02 1pg6 s LYS 104 Cb 0.12 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1pg6 s LYS 104 CO 0.58 0.55 0.06 -0.65 -0.92 0.00 0.00 175.35 174.96 1pg6 s GLN 105 N -1.10 1.25 0.08 1.68 -1.52 -1.26 -4.40 119.66 114.38 1pg6 s GLN 105 Ca 0.12 -1.64 -0.01 0.00 -1.95 0.00 0.00 55.36 51.88 1pg6 s GLN 105 Cb -0.10 -0.19 -0.04 0.00 -0.22 0.00 0.00 33.01 32.46 1pg6 s GLN 105 CO 0.02 -0.24 0.01 0.71 -0.25 0.00 0.00 175.29 175.54 1pg6 s TYR 106 N -3.77 0.64 0.09 0.91 1.51 -1.26 -1.29 117.35 114.18 1pg6 s TYR 106 Ca 0.32 -1.12 0.09 0.00 -1.01 0.00 0.00 57.07 55.34 1pg6 s TYR 106 Cb 0.07 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1pg6 s TYR 106 CO 0.09 -0.43 -0.21 1.03 -1.11 0.00 0.00 175.55 174.91 1pg6 s ARG 107 N -3.97 1.78 0.02 -0.62 0.52 0.00 -1.17 118.95 115.53 1pg6 s ARG 107 Ca 0.13 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1pg6 s ARG 107 Cb 0.08 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1pg6 s ARG 107 CO -0.06 0.50 -0.04 -0.51 0.02 0.00 0.00 175.30 175.21 1pg6 s LEU 108 N -1.77 2.18 0.73 2.53 1.02 -1.26 -1.00 118.68 121.10 1pg6 s LEU 108 Ca 0.15 -0.38 -0.12 0.00 0.02 0.00 0.00 54.13 53.80 1pg6 s LEU 108 Cb -0.10 -0.02 0.03 0.00 0.02 0.00 0.00 46.19 46.11 1pg6 s LEU 108 CO 0.06 -0.19 1.11 0.20 0.02 0.00 0.00 176.35 177.56 1pg6 s ASN 109 N -1.09 5.26 0.24 2.29 0.02 -1.03 -4.46 114.94 116.17 1pg6 s ASN 109 Ca -0.10 1.10 -0.31 0.00 -1.02 0.00 0.00 52.86 52.53 1pg6 s ASN 109 Cb -0.07 -1.86 -0.12 0.00 0.02 0.00 0.00 41.25 39.22 1pg6 s ASN 109 CO -0.00 -1.46 1.66 -1.81 0.02 0.00 0.00 177.10 175.51 1pg6 s ASP 110 N -4.35 6.38 0.00 -1.22 1.01 -1.22 -1.82 116.67 115.45 1pg6 s ASP 110 Ca 0.59 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.74 1pg6 s ASP 110 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1pg6 s ASP 110 CO 0.52 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1pg6 n GLY 111 N 3.19 2.16 0.12 0.21 0.00 -1.26 -4.89 105.19 104.73 1pg6 n GLY 111 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1pg6 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg6 h ALA 112 N 0.00 0.82 -2.58 4.61 0.00 -1.58 -3.45 119.26 117.07 1pg6 h ALA 112 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1pg6 h ALA 112 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pg6 h ALA 112 CO 0.00 0.00 0.43 0.12 0.00 0.00 0.00 179.25 179.80 1pg6 s PHE 113 N -3.18 3.68 0.00 0.00 5.36 -1.26 -0.16 117.98 122.42 1pg6 s PHE 113 Ca 0.07 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 1pg6 s PHE 113 Cb 0.11 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 1pg6 s PHE 113 CO 0.67 -0.28 0.00 -0.11 -1.46 0.00 0.00 175.22 174.04 1pg6 n LEU 114 N 2.83 0.09 -3.50 6.12 7.94 -0.54 -4.58 117.00 125.36 1pg6 n LEU 114 Ca 0.03 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.82 1pg6 n LEU 114 Cb 0.48 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 1pg6 n LEU 114 CO 0.53 -0.02 0.32 0.00 -1.11 0.00 0.00 177.39 177.11 1pg6 s ALA 115 N -2.00 -1.39 -0.19 1.96 0.00 -0.90 -1.07 121.76 118.18 1pg6 s ALA 115 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1pg6 s ALA 115 Cb 0.00 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1pg6 s ALA 115 CO 0.00 -0.70 0.47 -1.17 0.00 0.00 0.00 175.76 174.36 1pg6 s LEU 116 N -2.66 -0.07 0.31 0.00 2.96 -0.32 -0.44 118.68 118.47 1pg6 s LEU 116 Ca 0.01 1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 54.63 1pg6 s LEU 116 Cb -0.00 1.60 -0.13 0.00 0.50 0.00 0.00 46.19 48.16 1pg6 s LEU 116 CO -0.11 -0.19 1.23 0.47 -1.32 0.00 0.00 176.35 176.43 1pg6 n ASP 117 N 3.59 2.35 0.27 3.68 10.43 -0.78 -0.44 116.55 135.65 1pg6 n ASP 117 Ca -0.18 1.19 0.18 0.00 2.57 0.00 0.00 54.79 58.55 1pg6 n ASP 117 Cb 0.56 -1.42 0.89 0.00 1.84 0.00 0.00 41.12 42.99 1pg6 n ASP 117 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1pg6 h GLY 118 N 2.64 0.00 2.00 0.44 0.00 -1.61 -0.91 103.07 105.63 1pg6 h GLY 118 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1pg6 h GLY 118 CO 0.64 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.66 1pg6 h SER 119 N 0.00 0.00 -2.24 0.19 4.64 -1.82 -3.45 113.55 110.87 1pg6 h SER 119 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1pg6 h SER 119 Cb 0.18 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1pg6 h SER 119 CO 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 176.01 1pg6 s ALA 120 N -3.35 3.81 0.17 5.18 0.00 -0.35 -4.39 121.76 122.83 1pg6 s ALA 120 Ca 0.05 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1pg6 s ALA 120 Cb 0.08 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1pg6 s ALA 120 CO 0.60 -1.18 -0.02 -1.14 0.00 0.00 0.00 175.76 174.02 1pg6 s GLN 121 N -4.99 1.11 0.09 0.00 2.00 0.25 -4.94 119.66 113.19 1pg6 s GLN 121 Ca 0.63 -1.53 -0.14 0.00 -2.00 0.00 0.00 55.36 52.32 1pg6 s GLN 121 Cb -0.07 -0.36 0.02 0.00 0.80 0.00 0.00 33.01 33.40 1pg6 s GLN 121 CO 0.42 -0.09 0.33 1.52 -0.50 0.00 0.00 175.29 176.97 1pg6 s TYR 122 N -3.58 -0.10 0.00 1.67 -0.85 -1.26 -1.30 117.35 111.93 1pg6 s TYR 122 Ca 0.23 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1pg6 s TYR 122 Cb 0.05 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1pg6 s TYR 122 CO 0.03 -0.61 0.00 1.17 -1.52 0.00 0.00 175.55 174.63 1pg6 n LYS 123 N 0.05 0.00 0.00 -3.49 4.81 -0.59 -4.87 118.16 114.07 1pg6 n LYS 123 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1pg6 n LYS 123 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 1pg6 n LYS 123 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pg6 n GLU 125 N 0.00 0.00 -2.62 1.64 2.13 -0.17 -1.25 120.64 120.37 1pg6 n GLU 125 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1pg6 n GLU 125 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1pg6 n GLU 125 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pg6 s ARG 126 N 0.00 4.48 0.39 5.31 3.52 -1.26 -0.90 118.95 130.49 1pg6 s ARG 126 Ca 0.00 1.51 -0.24 0.00 -0.13 0.00 0.00 55.73 56.87 1pg6 s ARG 126 Cb 0.00 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.83 1pg6 s ARG 126 CO 0.00 -0.19 1.06 -0.65 -0.81 0.00 0.00 175.30 174.71 1pg6 s GLN 127 N 1.37 4.17 -0.39 5.12 -1.52 -0.32 -4.88 119.66 123.20 1pg6 s GLN 127 Ca 0.53 1.55 -0.04 0.00 -1.95 0.00 0.00 55.36 55.45 1pg6 s GLN 127 Cb -0.22 -2.58 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 1pg6 s GLN 127 CO 0.25 -0.15 1.93 -1.71 -0.25 0.00 0.00 175.29 175.37 1pg6 n ASN 128 N -0.01 3.28 -1.15 5.90 2.85 -1.26 -4.81 115.26 120.06 1pg6 n ASN 128 Ca 0.05 -2.11 0.13 0.00 -0.11 0.00 0.00 54.58 52.54 1pg6 n ASN 128 Cb 0.49 -0.83 -0.05 0.00 1.24 0.00 0.00 39.78 40.64 1pg6 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pg6 n ILE 129 N 3.58 0.00 0.02 -1.44 0.13 -1.26 -5.13 119.36 115.26 1pg6 n ILE 129 Ca 0.29 0.28 0.01 0.00 -1.10 0.00 0.00 62.75 62.23 1pg6 n ILE 129 Cb 0.26 -0.63 0.05 0.00 -0.84 0.00 0.00 39.64 38.49 1pg6 n ILE 129 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pg6 n GLY 130 N -3.54 -0.50 7.00 4.50 0.00 -1.26 -4.84 105.19 106.55 1pg6 n GLY 130 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pg6 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg6 n GLY 138 N -1.45 1.03 0.45 -0.02 0.00 -1.26 -3.42 105.19 100.52 1pg6 n GLY 138 Ca -0.00 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.58 1pg6 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg6 n GLY 139 N 0.00 -2.93 3.28 -0.02 0.00 -1.26 -4.91 105.19 99.35 1pg6 n GLY 139 Ca 0.00 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1pg6 n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pg6 s LEU 140 N -4.72 3.21 0.03 0.99 2.96 -1.26 -5.08 118.68 114.82 1pg6 s LEU 140 Ca 0.00 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1pg6 s LEU 140 Cb 0.00 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1pg6 s LEU 140 CO 0.00 -0.10 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.41 1pg6 s PHE 141 N 1.43 2.59 0.00 5.38 0.40 -1.26 -1.18 117.98 125.35 1pg6 s PHE 141 Ca 0.03 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1pg6 s PHE 141 Cb -0.16 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1pg6 s PHE 141 CO -0.02 0.25 0.00 0.28 0.70 0.00 0.00 175.22 176.43 1pg6 n VAL 142 N 1.62 0.00 -3.65 -0.44 0.31 -0.08 -3.46 118.33 112.63 1pg6 n VAL 142 Ca -0.16 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.18 1pg6 n VAL 142 Cb 0.52 -0.05 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1pg6 n VAL 142 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pg6 s THR 144 N 0.13 0.00 0.52 2.52 2.01 -0.38 -1.00 115.64 119.44 1pg6 s THR 144 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1pg6 s THR 144 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1pg6 s THR 144 CO 0.00 0.00 0.78 0.42 -0.69 0.00 0.00 174.62 175.13 1pg6 s THR 145 N 0.83 3.74 0.04 -0.82 -4.23 -0.31 -1.55 115.64 113.34 1pg6 s THR 145 Ca -0.05 -0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 59.91 1pg6 s THR 145 Cb -0.03 -3.43 0.07 0.00 1.34 0.00 0.00 72.50 70.45 1pg6 s THR 145 CO -0.11 -0.37 0.65 -0.70 -0.54 0.00 0.00 174.62 173.55 1pg6 s GLU 146 N -4.77 1.15 0.29 3.99 2.12 -0.42 -4.60 118.70 116.45 1pg6 s GLU 146 Ca 0.51 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1pg6 s GLU 146 Cb -0.10 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1pg6 s GLU 146 CO 0.41 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1pg6 n GLY 147 N 0.37 -2.28 3.83 -1.50 0.00 -1.26 -0.58 105.19 103.77 1pg6 n GLY 147 Ca -0.18 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 1pg6 n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg6 s LEU 148 N 0.00 4.05 0.00 0.99 1.43 -1.26 -3.21 118.68 120.67 1pg6 s LEU 148 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1pg6 s LEU 148 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1pg6 s LEU 148 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1pg6 n GLY 149 N 0.67 0.98 3.41 -3.19 0.00 -1.21 -3.10 105.19 102.75 1pg6 n GLY 149 Ca -0.09 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1pg6 n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg6 s THR 150 N -2.19 2.68 -0.11 2.61 2.01 -1.26 -0.05 115.64 119.32 1pg6 s THR 150 Ca 0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 1pg6 s THR 150 Cb 0.00 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1pg6 s THR 150 CO 0.00 0.59 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 1pg6 s LEU 151 N -0.66 2.90 -0.22 4.42 2.96 0.11 -1.86 118.68 126.33 1pg6 s LEU 151 Ca 0.10 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1pg6 s LEU 151 Cb -0.10 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1pg6 s LEU 151 CO 0.00 0.23 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.45 1pg6 s LEU 152 N -0.03 2.87 0.14 -0.68 1.43 0.42 -0.32 118.68 122.50 1pg6 s LEU 152 Ca -0.02 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1pg6 s LEU 152 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1pg6 s LEU 152 CO 0.04 -0.02 -0.03 0.00 0.23 0.00 0.00 176.35 176.56 1pg6 s ALA 153 N 1.47 3.13 0.08 4.21 0.00 -0.16 -1.46 121.76 129.04 1pg6 s ALA 153 Ca 0.06 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1pg6 s ALA 153 Cb -0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1pg6 s ALA 153 CO -0.04 0.57 -0.16 0.54 0.00 0.00 0.00 175.76 176.67 1pg6 s ASN 154 N -2.62 1.92 0.29 0.00 2.20 0.77 -0.82 114.94 116.69 1pg6 s ASN 154 Ca 0.25 -0.66 0.11 0.00 -0.94 0.00 0.00 52.86 51.63 1pg6 s ASN 154 Cb -0.10 -0.07 -0.05 0.00 -2.00 0.00 0.00 41.25 39.02 1pg6 s ASN 154 CO 0.17 -0.05 -0.15 -0.94 -2.94 0.00 0.00 177.10 173.18 1pg6 s SER 155 N -1.86 3.73 -0.35 3.54 1.04 -0.39 -4.48 113.70 114.93 1pg6 s SER 155 Ca 0.01 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 1pg6 s SER 155 Cb -0.09 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.66 1pg6 s SER 155 CO 0.03 -0.01 0.19 0.12 0.98 0.00 0.00 173.24 174.54 1pg6 s PHE 156 N -2.51 3.22 0.00 5.02 5.36 -1.26 -3.52 117.98 124.29 1pg6 s PHE 156 Ca 0.31 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 1pg6 s PHE 156 Cb -0.04 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1pg6 s PHE 156 CO 0.16 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 1pg6 n GLY 157 N 5.00 -1.79 3.89 13.12 0.00 -0.32 -2.88 105.19 122.21 1pg6 n GLY 157 Ca -0.13 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1pg6 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg6 s SER 158 N -4.00 6.53 -0.13 1.61 0.01 -1.26 -3.35 113.70 113.11 1pg6 s SER 158 Ca 0.00 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.99 1pg6 s SER 158 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1pg6 s SER 158 CO 0.00 -0.13 0.16 -0.63 0.41 0.00 0.00 173.24 173.05 1pg6 s ILE 159 N -1.94 5.45 -0.05 1.44 1.01 -1.26 -0.36 121.20 125.49 1pg6 s ILE 159 Ca 0.46 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.40 1pg6 s ILE 159 Cb -0.11 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1pg6 s ILE 159 CO 0.26 0.58 -0.16 -0.75 0.00 0.00 0.00 174.94 174.86 1pg6 s LYS 160 N -0.72 1.82 -0.23 2.79 2.20 -0.33 -4.98 119.74 120.28 1pg6 s LYS 160 Ca 0.14 -0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 1pg6 s LYS 160 Cb -0.12 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 1pg6 s LYS 160 CO 0.03 0.18 0.16 0.21 -0.36 0.00 0.00 175.35 175.58 1pg6 s LYS 161 N 0.22 4.10 -0.06 4.03 2.20 -1.26 -1.38 119.74 127.60 1pg6 s LYS 161 Ca -0.08 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1pg6 s LYS 161 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1pg6 s LYS 161 CO 0.03 0.10 -0.22 0.42 -0.36 0.00 0.00 175.35 175.32 1pg6 s ILE 162 N 0.93 2.32 -0.18 5.43 1.01 0.09 -4.98 121.20 125.83 1pg6 s ILE 162 Ca 0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1pg6 s ILE 162 Cb -0.13 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1pg6 s ILE 162 CO 0.03 0.57 -0.10 -0.89 0.00 0.00 0.00 174.94 174.56 1pg6 s THR 163 N -0.29 3.07 -0.15 2.92 2.01 -1.26 -0.28 115.64 121.66 1pg6 s THR 163 Ca 0.01 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1pg6 s THR 163 Cb -0.13 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 1pg6 s THR 163 CO 0.03 0.48 0.18 -0.76 -0.69 0.00 0.00 174.62 173.86 1pg6 s LEU 164 N 0.98 4.31 -0.35 4.42 1.43 -0.19 -4.99 118.68 124.29 1pg6 s LEU 164 Ca -0.01 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1pg6 s LEU 164 Cb -0.15 -2.17 0.48 0.00 0.03 0.00 0.00 46.19 44.39 1pg6 s LEU 164 CO -0.01 0.27 1.46 -0.67 0.23 0.00 0.00 176.35 177.63 1pg6 n ASP 165 N 2.79 4.00 0.00 2.29 2.03 -1.25 -2.20 116.55 124.21 1pg6 n ASP 165 Ca -0.17 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.35 1pg6 n ASP 165 Cb 0.53 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1pg6 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pg6 n GLY 166 N -0.97 2.13 0.00 0.27 0.00 0.71 -4.88 105.19 102.45 1pg6 n GLY 166 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1pg6 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg6 n GLY 167 N 0.00 -0.45 2.52 -0.02 0.00 -1.25 -3.84 105.19 102.15 1pg6 n GLY 167 Ca 0.00 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 1pg6 n GLY 167 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pg6 n THR 168 N -0.02 0.00 -3.66 2.61 5.66 -1.26 -1.93 114.28 115.68 1pg6 n THR 168 Ca 0.00 -1.78 -0.07 0.00 -3.05 0.00 0.00 64.05 59.15 1pg6 n THR 168 Cb 0.00 0.63 -0.08 0.00 -1.55 0.00 0.00 70.33 69.33 1pg6 n THR 168 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1pg6 s THR 170 N -2.68 -0.24 0.02 1.09 2.01 -1.26 -4.99 115.64 109.59 1pg6 s THR 170 Ca 0.15 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1pg6 s THR 170 Cb 0.01 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1pg6 s THR 170 CO 0.10 0.02 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.32 1pg6 s ILE 171 N 1.88 0.81 -0.11 1.82 1.01 -0.39 -4.94 121.20 121.28 1pg6 s ILE 171 Ca -0.08 -0.71 -0.36 0.00 0.00 0.00 0.00 60.65 59.49 1pg6 s ILE 171 Cb -0.08 -0.73 -0.14 0.00 0.01 0.00 0.00 42.46 41.52 1pg6 s ILE 171 CO -0.17 0.03 1.76 -0.67 0.00 0.00 0.00 174.94 175.89 1pg6 n ASP 172 N 2.28 2.93 0.31 3.58 -0.08 -1.26 -0.12 116.55 124.18 1pg6 n ASP 172 Ca -0.17 1.03 0.19 0.00 -1.51 0.00 0.00 54.79 54.33 1pg6 n ASP 172 Cb 0.56 -1.29 0.99 0.00 2.34 0.00 0.00 41.12 43.72 1pg6 n ASP 172 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1pg6 h ASN 173 N 7.84 0.00 0.56 1.67 -0.00 -1.64 -1.10 115.58 122.91 1pg6 h ASN 173 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 1pg6 h ASN 173 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 1pg6 h ASN 173 CO 0.93 0.02 0.00 0.00 -0.00 0.00 0.00 177.43 178.39 1pg6 h ALA 174 N 1.98 1.00 -0.22 1.57 0.00 -1.87 -1.89 119.26 119.82 1pg6 h ALA 174 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pg6 h ALA 174 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pg6 h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1pg6 n HIS 175 N -2.53 0.28 -3.38 0.00 8.25 -0.42 -4.61 115.22 112.81 1pg6 n HIS 175 Ca 0.00 -0.18 -0.39 0.00 -0.26 0.00 0.00 57.72 56.90 1pg6 n HIS 175 Cb 0.19 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 1pg6 n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pg6 s VAL 176 N -1.35 5.18 -0.12 1.59 1.01 -0.71 -0.32 120.40 125.68 1pg6 s VAL 176 Ca 0.28 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1pg6 s VAL 176 Cb 0.17 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1pg6 s VAL 176 CO 0.24 0.18 -0.14 0.58 0.00 0.00 0.00 175.10 175.96 1pg6 h VAL 177 N 5.29 0.00 -3.07 2.92 2.07 -0.85 -3.41 116.25 119.20 1pg6 h VAL 177 Ca -0.33 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1pg6 h VAL 177 Cb 1.16 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.79 1pg6 h VAL 177 CO 0.67 0.00 0.06 0.00 0.02 0.00 0.00 177.57 178.32 1pg6 s ALA 178 N -2.75 -1.28 0.12 1.67 0.00 -1.15 -2.47 121.76 115.89 1pg6 s ALA 178 Ca -0.12 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 1pg6 s ALA 178 Cb 0.02 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1pg6 s ALA 178 CO 0.18 -0.65 0.40 1.67 0.00 0.00 0.00 175.76 177.36 1pg6 s TRP 179 N -3.39 -0.21 0.26 0.00 -2.14 -0.17 -0.44 118.94 112.85 1pg6 s TRP 179 Ca -0.00 -0.09 -0.31 0.00 2.66 0.00 0.00 56.10 58.36 1pg6 s TRP 179 Cb 0.00 0.26 -0.13 0.00 -3.10 0.00 0.00 33.47 30.50 1pg6 s TRP 179 CO -0.09 -0.70 1.49 0.43 -2.66 0.00 0.00 176.95 175.42 1pg6 n SER 180 N -0.19 3.22 0.22 -2.66 7.64 -0.27 -0.82 113.62 120.77 1pg6 n SER 180 Ca -0.16 1.14 0.07 0.00 1.01 0.00 0.00 58.87 60.94 1pg6 n SER 180 Cb 0.64 -1.50 0.52 0.00 -1.01 0.00 0.00 64.21 62.85 1pg6 n SER 180 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1pg6 h ARG 181 N 4.49 0.00 0.00 1.43 2.43 -1.49 -2.42 114.38 118.82 1pg6 h ARG 181 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1pg6 h ARG 181 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1pg6 h ARG 181 CO 0.77 0.25 0.00 1.05 -1.51 0.00 0.00 179.97 180.53 1pg6 h GLU 182 N 0.00 0.00 -7.24 0.20 9.09 -1.86 -3.44 114.58 111.32 1pg6 h GLU 182 Ca -0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1pg6 h GLU 182 Cb 0.53 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.67 1pg6 h GLU 182 CO 0.03 0.00 0.39 -0.51 0.05 0.00 0.00 179.01 178.97 1pg6 s LEU 183 N -5.91 3.48 -0.13 3.06 1.43 -0.91 -4.73 118.68 114.96 1pg6 s LEU 183 Ca -0.01 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 1pg6 s LEU 183 Cb 0.10 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1pg6 s LEU 183 CO 0.46 -0.82 0.37 -1.81 0.23 0.00 0.00 176.35 174.78 1pg6 s ASP 184 N -3.31 6.56 0.08 2.29 1.11 0.78 -4.93 116.67 119.24 1pg6 s ASP 184 Ca 0.59 0.66 0.01 0.00 0.18 0.00 0.00 52.55 53.99 1pg6 s ASP 184 Cb -0.12 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 1pg6 s ASP 184 CO 0.39 0.09 -0.06 -0.72 1.18 0.00 0.00 175.17 176.05 1pg6 s TYR 185 N 0.37 0.78 -0.26 4.23 -0.85 -1.26 -0.05 117.35 120.31 1pg6 s TYR 185 Ca 0.21 -0.84 -0.04 0.00 -0.52 0.00 0.00 57.07 55.88 1pg6 s TYR 185 Cb -0.14 -0.47 0.14 0.00 0.38 0.00 0.00 41.96 41.88 1pg6 s TYR 185 CO 0.07 -0.17 0.49 0.34 -1.52 0.00 0.00 175.55 174.76 1pg6 s ASP 186 N -2.68 -0.53 -0.20 -0.18 3.68 -0.57 -4.96 116.67 111.24 1pg6 s ASP 186 Ca 0.06 0.75 -0.19 0.00 2.13 0.00 0.00 52.55 55.30 1pg6 s ASP 186 Cb 0.02 1.63 -0.03 0.00 -1.45 0.00 0.00 42.92 43.09 1pg6 s ASP 186 CO -0.04 -0.26 0.53 -0.63 0.13 0.00 0.00 175.17 174.90 1pg6 s ILE 187 N 2.70 5.10 0.25 4.11 1.01 -1.26 -1.13 121.20 131.98 1pg6 s ILE 187 Ca 0.10 0.98 -0.18 0.00 0.00 0.00 0.00 60.65 61.56 1pg6 s ILE 187 Cb -0.14 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1pg6 s ILE 187 CO -0.17 0.17 0.60 -1.38 0.00 0.00 0.00 174.94 174.16 1pg6 s HIS 188 N 1.65 -0.02 0.00 3.97 -3.43 -0.13 -4.80 115.29 112.54 1pg6 s HIS 188 Ca 0.25 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 54.00 1pg6 s HIS 188 Cb -0.15 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1pg6 s HIS 188 CO 0.10 -1.09 0.37 -1.17 -2.00 0.00 0.00 174.74 170.95 1pg6 s LEU 189 N -2.94 4.44 0.25 5.38 2.96 -1.22 -0.30 118.68 127.25 1pg6 s LEU 189 Ca 0.14 0.85 0.24 0.00 -0.22 0.00 0.00 54.13 55.14 1pg6 s LEU 189 Cb -0.03 -2.60 0.40 0.00 0.50 0.00 0.00 46.19 44.46 1pg6 s LEU 189 CO 0.05 0.30 1.47 -0.33 -1.32 0.00 0.00 176.35 176.53 1pg6 h GLU 190 N 4.52 0.00 0.00 1.98 5.08 -1.94 -3.48 114.58 120.73 1pg6 h GLU 190 Ca -0.52 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1pg6 h GLU 190 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pg6 h GLU 190 CO 0.62 0.00 0.23 0.27 -1.00 0.00 0.00 179.01 179.13 1pg6 n ASN 191 N -2.55 -1.23 -4.62 1.42 0.23 -1.26 -5.15 115.26 102.10 1pg6 n ASN 191 Ca 0.03 -1.79 -0.31 0.00 -0.53 0.00 0.00 54.58 51.98 1pg6 n ASN 191 Cb 0.48 2.04 0.17 0.00 -2.08 0.00 0.00 39.78 40.40 1pg6 n ASN 191 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pg6 n GLY 192 N -0.35 -0.75 0.83 4.83 0.00 -1.26 -4.76 105.19 103.73 1pg6 n GLY 192 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1pg6 n GLY 192 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pg6 n PHE 193 N -4.28 0.00 0.00 1.61 7.35 -1.26 -1.11 117.46 119.77 1pg6 n PHE 193 Ca 0.10 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1pg6 n PHE 193 Cb 0.52 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1pg6 n PHE 193 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1pg6 n GLN 195 N 0.80 0.00 0.14 -4.13 -0.06 -1.26 -1.29 117.38 111.58 1pg6 n GLN 195 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1pg6 n GLN 195 Cb 0.03 0.00 0.18 0.00 -4.06 0.00 0.00 30.24 26.39 1pg6 n GLN 195 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1pg6 h SER 196 N 0.00 0.00 -0.54 1.69 0.02 -1.41 -2.79 113.55 110.51 1pg6 h SER 196 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1pg6 h SER 196 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1pg6 h SER 196 CO 0.00 0.58 0.16 0.40 -1.14 0.00 0.00 176.83 176.83 1pg6 h ILE 197 N 0.00 1.23 -0.02 3.27 1.08 -1.47 0.25 117.51 121.85 1pg6 h ILE 197 Ca -0.01 -0.83 -0.25 0.00 -0.39 0.00 0.00 64.86 63.39 1pg6 h ILE 197 Cb 1.13 0.61 0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1pg6 h ILE 197 CO 0.08 0.31 -0.96 1.23 -0.69 0.00 0.00 178.15 178.12 1pg6 h GLY 198 N 1.00 0.75 1.92 5.37 0.00 -1.82 -3.32 103.07 106.97 1pg6 h GLY 198 Ca 0.19 -1.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.05 1pg6 h GLY 198 CO -0.00 1.14 -0.88 -0.91 0.00 0.00 0.00 176.54 175.89 1pg6 h THR 199 N 0.34 1.35 -0.36 4.70 1.35 -1.39 -3.47 112.91 115.43 1pg6 h THR 199 Ca -0.11 -2.94 -0.16 0.00 -0.55 0.00 0.00 66.41 62.65 1pg6 h THR 199 Cb 1.61 2.66 -0.06 0.00 -1.73 0.00 0.00 68.15 70.63 1pg6 h THR 199 CO 0.19 0.77 -0.14 0.61 -0.25 0.00 0.00 175.52 176.70 1pg6 n GLY 200 N 1.32 0.97 3.65 5.82 0.00 0.85 -5.00 105.19 112.80 1pg6 n GLY 200 Ca -0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1pg6 n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg6 s GLU 201 N -2.59 3.89 0.00 1.61 0.41 -1.24 -5.06 118.70 115.72 1pg6 s GLU 201 Ca 0.00 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1pg6 s GLU 201 Cb 0.00 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1pg6 s GLU 201 CO 0.00 0.33 0.00 0.41 -0.49 0.00 0.00 175.26 175.51 1pg6 n GLY 202 N 3.35 0.99 3.71 -1.39 0.00 -1.26 -4.81 105.19 105.77 1pg6 n GLY 202 Ca -0.17 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1pg6 n GLY 202 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pg6 n VAL 203 N -0.40 3.78 -4.16 1.61 0.24 -1.26 -4.77 118.33 113.36 1pg6 n VAL 203 Ca 0.00 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.57 1pg6 n VAL 203 Cb 0.00 -1.52 -0.06 0.00 -1.47 0.00 0.00 33.84 30.79 1pg6 n VAL 203 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1pg6 s VAL 204 N -1.33 3.22 -0.19 3.34 -7.23 0.59 -1.80 120.40 117.00 1pg6 s VAL 204 Ca 0.72 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1pg6 s VAL 204 Cb -0.43 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.57 1pg6 s VAL 204 CO 0.49 -0.25 -0.18 0.21 -0.31 0.00 0.00 175.10 175.07 1pg6 s ASN 205 N -3.79 3.32 -0.27 4.85 3.84 0.83 -0.96 114.94 122.76 1pg6 s ASN 205 Ca 0.36 -0.63 -0.10 0.00 0.21 0.00 0.00 52.86 52.70 1pg6 s ASN 205 Cb -0.04 -1.52 -0.04 0.00 -0.55 0.00 0.00 41.25 39.10 1pg6 s ASN 205 CO 0.22 -0.01 0.15 -0.89 -2.79 0.00 0.00 177.10 173.78 1pg6 s THR 206 N 1.31 4.97 -0.03 -5.21 2.01 -0.28 -1.26 115.64 117.15 1pg6 s THR 206 Ca 0.05 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 1pg6 s THR 206 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1pg6 s THR 206 CO -0.11 0.28 0.06 -0.36 -0.69 0.00 0.00 174.62 173.80 1pg6 s PHE 207 N 1.69 3.26 -0.07 4.92 0.08 -1.26 -1.51 117.98 125.09 1pg6 s PHE 207 Ca 0.07 0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 1pg6 s PHE 207 Cb -0.16 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1pg6 s PHE 207 CO 0.08 0.54 0.16 1.03 -0.10 0.00 0.00 175.22 176.93 1pg6 s ARG 208 N -1.49 0.13 0.00 0.44 0.52 0.92 -4.26 118.95 115.21 1pg6 s ARG 208 Ca 0.20 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1pg6 s ARG 208 Cb -0.12 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.28 1pg6 s ARG 208 CO 0.10 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1pg6 n GLY 209 N 3.73 0.32 3.38 -3.53 0.00 -0.81 -0.16 105.19 108.13 1pg6 n GLY 209 Ca -0.21 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 1pg6 n GLY 209 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg6 s HIS 210 N -0.08 2.74 0.00 1.61 3.76 -1.26 -0.21 115.29 121.85 1pg6 s HIS 210 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1pg6 s HIS 210 Cb 0.00 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.93 1pg6 s HIS 210 CO 0.00 -0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1pg6 n GLY 211 N 3.14 -0.44 3.78 -2.22 0.00 -0.94 -4.05 105.19 104.47 1pg6 n GLY 211 Ca -0.18 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1pg6 n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg6 s GLU 212 N -1.76 2.97 -0.10 1.61 8.01 -1.26 -1.02 118.70 127.14 1pg6 s GLU 212 Ca 0.00 -0.62 0.01 0.00 0.01 0.00 0.00 54.97 54.37 1pg6 s GLU 212 Cb 0.00 -2.78 0.02 0.00 -4.31 0.00 0.00 34.13 27.06 1pg6 s GLU 212 CO 0.00 0.59 -0.11 0.42 0.01 0.00 0.00 175.26 176.17 1pg6 s ILE 213 N -1.34 1.19 -0.27 -1.63 1.01 0.61 -1.12 121.20 119.66 1pg6 s ILE 213 Ca 0.28 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1pg6 s ILE 213 Cb -0.12 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1pg6 s ILE 213 CO 0.20 0.38 0.11 -0.31 0.00 0.00 0.00 174.94 175.33 1pg6 s TYR 214 N 1.26 3.13 0.28 3.97 2.02 0.42 -0.73 117.35 127.71 1pg6 s TYR 214 Ca -0.03 -0.28 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 1pg6 s TYR 214 Cb -0.14 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1pg6 s TYR 214 CO -0.04 -0.31 0.02 0.96 -1.57 0.00 0.00 175.55 174.61 1pg6 s ILE 215 N 1.66 3.33 0.16 2.71 -4.36 -0.48 -0.15 121.20 124.07 1pg6 s ILE 215 Ca 0.06 -1.88 0.10 0.00 -0.26 0.00 0.00 60.65 58.68 1pg6 s ILE 215 Cb -0.16 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 1pg6 s ILE 215 CO 0.06 -0.33 -0.22 0.00 0.24 0.00 0.00 174.94 174.69 1pg6 s GLN 216 N -3.71 1.61 0.00 0.37 -2.07 0.57 -1.19 119.66 115.25 1pg6 s GLN 216 Ca 0.33 -1.38 0.17 0.00 -1.82 0.00 0.00 55.36 52.66 1pg6 s GLN 216 Cb -0.05 -1.96 0.74 0.00 -1.09 0.00 0.00 33.01 30.65 1pg6 s GLN 216 CO 0.20 0.43 1.52 -1.13 -1.32 0.00 0.00 175.29 174.99 1pg6 n SER 217 N 0.51 1.13 -4.17 12.60 3.41 0.51 -4.75 113.62 122.86 1pg6 n SER 217 Ca -0.14 -1.69 -0.15 0.00 -0.26 0.00 0.00 58.87 56.63 1pg6 n SER 217 Cb 0.54 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1pg6 n SER 217 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pg6 s LEU 218 N -1.46 2.37 -0.27 1.04 1.43 -1.14 -4.85 118.68 115.80 1pg6 s LEU 218 Ca 0.28 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1pg6 s LEU 218 Cb 0.14 -0.35 0.04 0.00 0.03 0.00 0.00 46.19 46.05 1pg6 s LEU 218 CO 0.22 -0.22 -0.03 0.21 0.23 0.00 0.00 176.35 176.76 1pg6 s ASN 219 N -2.25 4.62 0.24 2.29 3.84 -1.26 -4.67 114.94 117.74 1pg6 s ASN 219 Ca 0.03 -1.06 -0.07 0.00 0.21 0.00 0.00 52.86 51.96 1pg6 s ASN 219 Cb -0.05 -1.69 0.22 0.00 -0.55 0.00 0.00 41.25 39.18 1pg6 s ASN 219 CO 0.01 -0.19 1.90 0.25 -2.79 0.00 0.00 177.10 176.28 1pg6 h LEU 220 N 8.01 1.08 -0.55 3.21 5.85 -1.93 -0.58 115.31 130.39 1pg6 h LEU 220 Ca -0.27 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1pg6 h LEU 220 Cb 1.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1pg6 h LEU 220 CO 0.55 0.80 0.13 -0.08 -0.34 0.00 0.00 178.44 179.50 1pg6 h GLU 221 N 1.26 0.89 -0.64 1.25 4.81 -1.94 -0.38 114.58 119.82 1pg6 h GLU 221 Ca 0.34 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1pg6 h GLU 221 Cb -0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1pg6 h GLU 221 CO -0.07 0.84 0.06 1.96 -0.73 0.00 0.00 179.01 181.06 1pg6 h GLN 222 N 0.79 1.08 -0.37 1.92 1.08 -1.88 -1.52 115.11 116.21 1pg6 h GLN 222 Ca 0.17 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1pg6 h GLN 222 Cb 0.35 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1pg6 h GLN 222 CO 0.00 1.02 0.09 0.35 -0.95 0.00 0.00 178.83 179.34 1pg6 h PHE 223 N 1.00 0.63 -0.63 2.96 3.57 -0.84 -2.17 116.94 121.45 1pg6 h PHE 223 Ca 0.19 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1pg6 h PHE 223 Cb 0.50 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1pg6 h PHE 223 CO 0.04 0.62 0.42 0.00 -2.23 0.00 0.00 178.31 177.15 1pg6 h ALA 224 N 0.94 1.78 -0.32 2.41 0.00 -0.85 -1.15 119.26 122.06 1pg6 h ALA 224 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pg6 h ALA 224 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pg6 h ALA 224 CO 0.00 0.11 0.05 0.78 0.00 0.00 0.00 179.25 180.19 1pg6 h GLY 225 N 0.63 0.51 2.00 0.00 0.00 -0.63 -1.93 103.07 103.64 1pg6 h GLY 225 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pg6 h GLY 225 CO -0.08 0.26 0.00 -0.91 0.00 0.00 0.00 176.54 175.80 1pg6 h THR 226 N 0.47 0.00 0.00 4.70 1.35 -0.91 -3.07 112.91 115.45 1pg6 h THR 226 Ca 0.11 -0.66 -0.08 0.00 -0.55 0.00 0.00 66.41 65.23 1pg6 h THR 226 Cb 0.23 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1pg6 h THR 226 CO 0.00 0.00 -0.99 -0.07 -0.25 0.00 0.00 175.52 174.21 1pg6 h LEU 227 N 0.00 0.00 -0.67 3.87 3.38 -1.21 -3.39 115.31 117.29 1pg6 h LEU 227 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1pg6 h LEU 227 Cb 0.68 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 1pg6 h LEU 227 CO 0.00 0.29 0.01 0.11 0.09 0.00 0.00 178.44 178.94 1pg6 h LYS 228 N 0.00 0.11 -0.49 1.13 1.57 -1.37 -1.67 116.57 115.85 1pg6 h LYS 228 Ca -0.06 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1pg6 h LYS 228 Cb 1.28 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1pg6 h LYS 228 CO 0.03 0.08 0.33 0.07 -0.57 0.00 0.00 179.45 179.39 1pg6 h ARG 229 N 0.12 0.29 -0.03 3.15 0.11 -1.77 0.08 114.38 116.31 1pg6 h ARG 229 Ca 0.36 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1pg6 h ARG 229 Cb 0.59 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1pg6 h ARG 229 CO -0.58 0.19 0.00 0.66 0.10 0.00 0.00 179.97 180.34 1pg6 n TYR 230 N -4.46 0.03 -0.02 4.08 4.02 -0.65 -5.24 117.16 114.92 1pg6 n TYR 230 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1pg6 n TYR 230 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 1pg6 n TYR 230 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13