#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa8 n PHE 2 N 0.00 0.00 -3.24 0.00 3.01 -1.26 -5.00 117.46 110.98 1sa8 n PHE 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1sa8 n PHE 2 Cb 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.55 1sa8 n PHE 2 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1sa8 n ASP 3 N 0.00 -3.34 -3.70 4.37 -0.08 0.54 -5.00 116.55 109.35 1sa8 n ASP 3 Ca 0.00 -0.59 -0.05 0.00 -1.51 0.00 0.00 54.79 52.64 1sa8 n ASP 3 Cb 0.00 -4.73 -0.02 0.00 2.34 0.00 0.00 41.12 38.71 1sa8 n ASP 3 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sa8 s GLY 4 N -3.96 -0.28 -0.25 0.27 0.00 -0.97 -4.99 107.32 97.14 1sa8 s GLY 4 Ca 0.13 0.29 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 1sa8 s GLY 4 CO 0.67 0.07 0.15 -0.51 0.00 0.00 0.00 173.10 173.47 1sa8 s THR 5 N -3.31 5.16 -0.35 0.90 -4.23 -1.26 -2.28 115.64 110.28 1sa8 s THR 5 Ca 0.10 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1sa8 s THR 5 Cb -0.02 -3.41 0.09 0.00 1.34 0.00 0.00 72.50 70.50 1sa8 s THR 5 CO -0.00 0.33 0.08 0.26 -0.54 0.00 0.00 174.62 174.74 1sa8 s TRP 6 N 1.25 3.53 0.17 3.99 0.52 0.31 -1.76 118.94 126.94 1sa8 s TRP 6 Ca 0.07 -2.44 -0.24 0.00 0.02 0.00 0.00 56.10 53.50 1sa8 s TRP 6 Cb -0.14 -2.73 0.06 0.00 -1.15 0.00 0.00 33.47 29.51 1sa8 s TRP 6 CO 0.06 -0.91 0.94 0.15 0.02 0.00 0.00 176.95 177.21 1sa8 s LYS 7 N 1.09 1.26 -0.05 4.98 -0.14 0.67 -4.08 119.74 123.46 1sa8 s LYS 7 Ca 0.04 -0.70 -0.06 0.00 -1.36 0.00 0.00 55.97 53.89 1sa8 s LYS 7 Cb -0.21 0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 1sa8 s LYS 7 CO -0.05 -0.58 0.19 0.08 -0.76 0.00 0.00 175.35 174.24 1sa8 s VAL 8 N -3.30 5.43 -0.11 3.17 1.01 -1.26 -4.14 120.40 121.19 1sa8 s VAL 8 Ca 0.13 0.10 -0.40 0.00 0.00 0.00 0.00 61.98 61.80 1sa8 s VAL 8 Cb -0.02 -3.49 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1sa8 s VAL 8 CO 0.03 0.47 1.41 0.61 0.00 0.00 0.00 175.10 177.62 1sa8 n GLY 9 N 1.45 0.34 0.00 4.51 0.00 -1.26 -2.39 105.19 107.83 1sa8 n GLY 9 Ca -0.15 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1sa8 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa8 n GLY 10 N 2.91 3.61 3.80 -0.02 0.00 -1.26 -5.08 105.19 109.15 1sa8 n GLY 10 Ca 0.23 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1sa8 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sa8 s LEU 11 N 0.00 3.44 -0.02 0.99 1.43 -1.01 -4.82 118.68 118.69 1sa8 s LEU 11 Ca 0.00 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1sa8 s LEU 11 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1sa8 s LEU 11 CO 0.00 -0.32 -0.08 -1.59 0.23 0.00 0.00 176.35 174.59 1sa8 s LYS 12 N -3.92 0.85 -0.04 1.70 -2.85 -1.25 -4.47 119.74 109.75 1sa8 s LYS 12 Ca 0.39 -0.27 0.02 0.00 -1.00 0.00 0.00 55.97 55.11 1sa8 s LYS 12 Cb -0.04 -0.81 0.01 0.00 -2.06 0.00 0.00 37.83 34.93 1sa8 s LYS 12 CO 0.25 0.10 -0.07 -1.17 0.10 0.00 0.00 175.35 174.55 1sa8 s LEU 13 N 0.20 1.53 -0.05 2.77 0.20 -1.25 -2.43 118.68 119.65 1sa8 s LEU 13 Ca -0.03 -0.17 -0.00 0.00 0.69 0.00 0.00 54.13 54.62 1sa8 s LEU 13 Cb -0.08 -0.54 0.03 0.00 -0.43 0.00 0.00 46.19 45.17 1sa8 s LEU 13 CO 0.00 -0.00 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.16 1sa8 s THR 14 N 0.64 0.37 -0.14 3.68 2.01 -0.73 -0.53 115.64 120.93 1sa8 s THR 14 Ca -0.10 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1sa8 s THR 14 Cb -0.13 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 71.94 1sa8 s THR 14 CO 0.01 0.22 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.41 1sa8 s ILE 15 N 1.37 1.41 -0.06 1.82 1.01 -0.96 -1.04 121.20 124.75 1sa8 s ILE 15 Ca -0.04 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1sa8 s ILE 15 Cb -0.13 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1sa8 s ILE 15 CO -0.02 0.39 -0.09 -0.89 0.00 0.00 0.00 174.94 174.34 1sa8 s THR 16 N 1.55 0.86 -0.10 2.92 2.01 -1.25 -0.34 115.64 121.29 1sa8 s THR 16 Ca 0.04 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1sa8 s THR 16 Cb -0.13 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1sa8 s THR 16 CO -0.10 0.30 -0.11 0.00 -0.69 0.00 0.00 174.62 174.02 1sa8 s GLN 17 N 0.81 3.05 -0.70 4.92 0.00 -1.25 -4.25 119.66 122.24 1sa8 s GLN 17 Ca -0.12 -0.63 -0.07 0.00 -0.00 0.00 0.00 55.36 54.53 1sa8 s GLN 17 Cb -0.15 -2.59 0.18 0.00 0.00 0.00 0.00 33.01 30.45 1sa8 s GLN 17 CO 0.02 0.43 0.56 -1.83 0.00 0.00 0.00 175.29 174.47 1sa8 s GLU 18 N -0.20 2.95 5.32 9.60 -1.05 -1.23 -4.89 118.70 129.21 1sa8 s GLU 18 Ca 0.01 -2.49 0.00 0.00 -0.15 0.00 0.00 54.97 52.34 1sa8 s GLU 18 Cb -0.13 -4.00 0.00 0.00 -0.44 0.00 0.00 34.13 29.56 1sa8 s GLU 18 CO 0.03 -1.22 0.00 0.41 0.95 0.00 0.00 175.26 175.43 1sa8 n GLY 19 N 3.70 1.74 2.91 -3.83 0.00 -1.26 -3.98 105.19 104.47 1sa8 n GLY 19 Ca 0.10 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1sa8 n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sa8 s ASN 20 N -4.00 4.43 -0.30 1.61 -0.87 -1.26 -5.00 114.94 109.55 1sa8 s ASN 20 Ca 0.00 -2.10 -0.08 0.00 -1.57 0.00 0.00 52.86 49.12 1sa8 s ASN 20 Cb 0.00 -1.36 0.18 0.00 -0.02 0.00 0.00 41.25 40.06 1sa8 s ASN 20 CO 0.00 -0.37 0.91 -0.75 -2.57 0.00 0.00 177.10 174.32 1sa8 s LYS 21 N 0.99 0.29 0.04 -0.60 2.20 -1.26 -4.72 119.74 116.69 1sa8 s LYS 21 Ca 0.12 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1sa8 s LYS 21 Cb -0.19 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1sa8 s LYS 21 CO -0.12 -0.42 0.08 -0.06 -0.36 0.00 0.00 175.35 174.47 1sa8 s PHE 22 N 2.92 3.24 -0.22 4.03 0.40 -0.76 -3.49 117.98 124.10 1sa8 s PHE 22 Ca 0.13 0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.47 1sa8 s PHE 22 Cb -0.08 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.84 1sa8 s PHE 22 CO -0.19 0.53 0.55 -0.08 0.70 0.00 0.00 175.22 176.74 1sa8 s THR 23 N -1.31 -0.01 -0.24 0.64 -1.32 -1.26 -0.81 115.64 111.34 1sa8 s THR 23 Ca 0.27 0.04 -0.08 0.00 -1.21 0.00 0.00 61.69 60.71 1sa8 s THR 23 Cb -0.12 -0.80 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1sa8 s THR 23 CO 0.19 0.02 0.09 -0.69 -2.21 0.00 0.00 174.62 172.01 1sa8 s VAL 24 N 1.47 4.56 -0.47 5.08 1.01 0.10 -3.80 120.40 128.36 1sa8 s VAL 24 Ca -0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1sa8 s VAL 24 Cb -0.07 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.28 1sa8 s VAL 24 CO -0.16 0.35 0.38 -0.75 0.00 0.00 0.00 175.10 174.93 1sa8 s LYS 25 N 1.35 2.86 -0.15 2.72 2.20 -0.21 0.10 119.74 128.61 1sa8 s LYS 25 Ca 0.05 -1.48 -0.06 0.00 -0.36 0.00 0.00 55.97 54.13 1sa8 s LYS 25 Cb -0.15 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 1sa8 s LYS 25 CO 0.04 -1.08 0.05 -2.00 -0.36 0.00 0.00 175.35 172.00 1sa8 s GLU 26 N 1.56 3.70 -0.00 4.03 -6.30 0.62 -1.78 118.70 120.52 1sa8 s GLU 26 Ca 0.04 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.16 1sa8 s GLU 26 Cb -0.25 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.78 1sa8 s GLU 26 CO 0.04 0.41 -0.00 -1.12 0.02 0.00 0.00 175.26 174.61 1sa8 s SER 27 N -0.03 0.06 -0.28 -1.70 0.01 -1.02 -0.40 113.70 110.34 1sa8 s SER 27 Ca 0.06 -0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 1sa8 s SER 27 Cb -0.12 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.17 1sa8 s SER 27 CO 0.01 -0.01 0.70 -0.44 0.41 0.00 0.00 173.24 173.91 1sa8 s SER 28 N 0.12 -0.92 0.00 2.44 0.01 -1.11 -3.88 113.70 110.36 1sa8 s SER 28 Ca -0.01 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1sa8 s SER 28 Cb -0.02 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.61 1sa8 s SER 28 CO -0.00 -0.24 0.00 0.59 0.41 0.00 0.00 173.24 174.00 1sa8 n ASN 29 N 4.09 0.00 -2.68 2.44 4.13 -1.26 -3.16 115.26 118.82 1sa8 n ASN 29 Ca -0.19 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.02 1sa8 n ASN 29 Cb 0.58 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.90 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1sa8 n PHE 30 N 0.00 -1.27 -3.63 3.10 7.35 -1.26 -5.13 117.46 116.61 1sa8 n PHE 30 Ca 0.00 -1.22 -0.06 0.00 -0.76 0.00 0.00 57.45 55.40 1sa8 n PHE 30 Cb 0.00 1.35 -0.02 0.00 0.35 0.00 0.00 39.48 41.16 1sa8 n PHE 30 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1sa8 s ARG 31 N 0.11 1.08 -0.23 -4.13 1.70 -1.19 -5.18 118.95 111.11 1sa8 s ARG 31 Ca 0.17 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 54.72 1sa8 s ARG 31 Cb 0.26 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 35.12 1sa8 s ARG 31 CO -0.11 -0.48 0.61 0.54 -1.08 0.00 0.00 175.30 174.78 1sa8 s ASN 32 N -2.74 -0.66 -0.21 -2.89 6.03 -1.26 -2.74 114.94 110.47 1sa8 s ASN 32 Ca 0.08 1.24 -0.14 0.00 -1.03 0.00 0.00 52.86 53.01 1sa8 s ASN 32 Cb -0.01 1.23 0.06 0.00 -3.03 0.00 0.00 41.25 39.50 1sa8 s ASN 32 CO -0.03 -0.21 0.53 -0.51 -2.03 0.00 0.00 177.10 174.85 1sa8 s ILE 33 N 0.50 -0.01 -0.11 0.54 2.07 0.46 -4.99 121.20 119.66 1sa8 s ILE 33 Ca -0.01 0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 1sa8 s ILE 33 Cb -0.05 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1sa8 s ILE 33 CO -0.02 0.01 0.02 1.51 -1.91 0.00 0.00 174.94 174.55 1sa8 s ASP 34 N 1.10 5.35 -0.32 4.50 -4.77 -1.25 -0.28 116.67 121.00 1sa8 s ASP 34 Ca -0.06 0.14 -0.08 0.00 -3.30 0.00 0.00 52.55 49.25 1sa8 s ASP 34 Cb -0.06 -1.62 0.01 0.00 -1.09 0.00 0.00 42.92 40.17 1sa8 s ASP 34 CO -0.10 0.34 0.12 -0.69 0.70 0.00 0.00 175.17 175.53 1sa8 s VAL 35 N -0.63 4.16 -0.15 2.11 1.01 0.11 -4.90 120.40 122.12 1sa8 s VAL 35 Ca 0.11 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1sa8 s VAL 35 Cb -0.12 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1sa8 s VAL 35 CO 0.02 -0.01 0.06 0.54 0.00 0.00 0.00 175.10 175.71 1sa8 s VAL 36 N 1.52 4.78 -0.28 2.92 0.11 -1.26 0.02 120.40 128.21 1sa8 s VAL 36 Ca 0.02 -0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 1sa8 s VAL 36 Cb -0.18 -3.11 0.11 0.00 -1.53 0.00 0.00 36.38 31.67 1sa8 s VAL 36 CO 0.04 0.52 0.85 0.72 -3.33 0.00 0.00 175.10 173.90 1sa8 s PHE 37 N -0.14 -0.77 -0.11 1.54 -0.71 0.01 -4.99 117.98 112.80 1sa8 s PHE 37 Ca 0.07 1.61 -0.04 0.00 -1.04 0.00 0.00 56.93 57.53 1sa8 s PHE 37 Cb -0.12 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1sa8 s PHE 37 CO 0.01 -0.38 0.05 -1.21 -1.34 0.00 0.00 175.22 172.35 1sa8 s GLU 38 N 1.19 3.30 -0.20 1.99 2.02 -1.26 -1.82 118.70 123.91 1sa8 s GLU 38 Ca -0.07 -0.33 -0.38 0.00 0.02 0.00 0.00 54.97 54.21 1sa8 s GLU 38 Cb -0.04 -2.97 -0.15 0.00 0.10 0.00 0.00 34.13 31.07 1sa8 s GLU 38 CO -0.14 0.63 1.76 1.28 0.02 0.00 0.00 175.26 178.81 1sa8 n LEU 39 N 2.40 2.64 -2.14 1.80 4.32 -1.26 -1.36 117.00 123.39 1sa8 n LEU 39 Ca -0.19 1.05 -0.15 0.00 -0.02 0.00 0.00 56.01 56.71 1sa8 n LEU 39 Cb 0.54 -1.21 0.03 0.00 -1.62 0.00 0.00 43.42 41.16 1sa8 n LEU 39 CO 0.30 -0.36 0.04 0.61 -1.22 0.00 0.00 177.39 176.76 1sa8 n GLY 40 N 4.16 -0.08 3.13 -0.72 0.00 0.11 -4.94 105.19 106.85 1sa8 n GLY 40 Ca 0.25 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1sa8 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 41 N -3.01 1.08 -0.05 1.61 1.01 -0.47 -4.94 120.40 115.63 1sa8 s VAL 41 Ca 0.24 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1sa8 s VAL 41 Cb -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1sa8 s VAL 41 CO 0.30 0.02 0.16 1.51 0.00 0.00 0.00 175.10 177.09 1sa8 s ASP 42 N -1.06 6.31 -0.02 3.32 -4.77 -1.26 -4.05 116.67 115.15 1sa8 s ASP 42 Ca 0.02 0.37 -0.13 0.00 -3.30 0.00 0.00 52.55 49.50 1sa8 s ASP 42 Cb -0.08 -1.99 0.02 0.00 -1.09 0.00 0.00 42.92 39.78 1sa8 s ASP 42 CO 0.01 0.31 0.28 0.72 0.70 0.00 0.00 175.17 177.20 1sa8 s PHE 43 N -1.21 -0.16 -0.05 2.11 -0.12 -0.50 -4.94 117.98 113.10 1sa8 s PHE 43 Ca 0.23 0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.36 1sa8 s PHE 43 Cb -0.12 0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.37 1sa8 s PHE 43 CO 0.13 -0.35 0.01 0.00 -0.05 0.00 0.00 175.22 174.96 1sa8 s ALA 44 N -1.20 0.51 0.07 1.99 0.00 -1.26 -1.40 121.76 120.47 1sa8 s ALA 44 Ca -0.12 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 1sa8 s ALA 44 Cb -0.05 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.56 1sa8 s ALA 44 CO 0.03 -0.34 0.89 1.52 0.00 0.00 0.00 175.76 177.86 1sa8 s TYR 45 N 1.72 -0.28 -0.20 0.00 -0.85 -1.25 -5.02 117.35 111.47 1sa8 s TYR 45 Ca 0.00 0.07 -0.08 0.00 -0.52 0.00 0.00 57.07 56.55 1sa8 s TYR 45 Cb -0.13 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 1sa8 s TYR 45 CO -0.04 -0.68 0.07 -1.54 -1.52 0.00 0.00 175.55 171.85 1sa8 s SER 46 N -2.68 5.55 -0.21 -0.18 1.04 -1.26 -2.74 113.70 113.23 1sa8 s SER 46 Ca 0.07 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 1sa8 s SER 46 Cb -0.01 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1sa8 s SER 46 CO -0.05 0.12 0.08 -0.76 0.98 0.00 0.00 173.24 173.61 1sa8 s LEU 47 N 0.70 3.77 -1.26 2.42 1.43 0.15 -4.41 118.68 121.49 1sa8 s LEU 47 Ca 0.04 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1sa8 s LEU 47 Cb -0.13 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1sa8 s LEU 47 CO 0.02 0.10 0.19 0.00 0.23 0.00 0.00 176.35 176.88 1sa8 n ALA 48 N 4.03 -0.85 -4.03 4.21 0.00 -1.26 -1.44 120.51 121.17 1sa8 n ALA 48 Ca -0.16 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1sa8 n ALA 48 Cb 0.52 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 1sa8 n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sa8 n ASP 49 N -2.03 -2.48 0.13 0.00 -0.08 -1.26 -4.75 116.55 106.08 1sa8 n ASP 49 Ca -0.13 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.21 1sa8 n ASP 49 Cb 0.61 -3.19 0.00 0.00 2.34 0.00 0.00 41.12 40.88 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sa8 n GLY 50 N -1.67 -0.64 3.65 0.27 0.00 -0.52 -5.08 105.19 101.20 1sa8 n GLY 50 Ca -0.09 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1sa8 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sa8 s THR 51 N -2.00 5.22 -0.52 2.61 -4.23 -0.90 -4.85 115.64 110.96 1sa8 s THR 51 Ca 0.00 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1sa8 s THR 51 Cb 0.00 -3.68 0.13 0.00 1.34 0.00 0.00 72.50 70.29 1sa8 s THR 51 CO 0.00 0.23 0.27 -1.61 -0.54 0.00 0.00 174.62 172.98 1sa8 s GLU 52 N 1.52 2.03 -0.26 3.99 2.02 -1.26 0.31 118.70 127.05 1sa8 s GLU 52 Ca 0.16 -2.57 -0.09 0.00 0.02 0.00 0.00 54.97 52.49 1sa8 s GLU 52 Cb -0.15 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1sa8 s GLU 52 CO 0.08 -1.11 0.12 -0.51 0.02 0.00 0.00 175.26 173.87 1sa8 s LEU 53 N -0.19 3.72 -0.36 1.80 1.02 -1.11 -3.85 118.68 119.71 1sa8 s LEU 53 Ca 0.17 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 1sa8 s LEU 53 Cb -0.25 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 43.97 1sa8 s LEU 53 CO -0.01 -0.03 0.20 -0.89 0.02 0.00 0.00 176.35 175.63 1sa8 s THR 54 N 1.64 4.62 0.12 5.49 2.01 -0.52 -3.85 115.64 125.15 1sa8 s THR 54 Ca 0.07 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 1sa8 s THR 54 Cb -0.15 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 68.91 1sa8 s THR 54 CO 0.07 -0.16 0.91 -0.83 -0.69 0.00 0.00 174.62 173.91 1sa8 s GLY 55 N 1.58 -0.31 -0.01 4.40 0.00 -0.49 -0.15 107.32 112.33 1sa8 s GLY 55 Ca 0.03 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.11 1sa8 s GLY 55 CO 0.07 0.09 -0.03 -1.08 0.00 0.00 0.00 173.10 172.15 1sa8 s THR 56 N -3.31 0.32 0.16 0.90 -1.32 -0.47 -1.41 115.64 110.52 1sa8 s THR 56 Ca 0.10 -0.12 0.06 0.00 -1.21 0.00 0.00 61.69 60.52 1sa8 s THR 56 Cb -0.02 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 1sa8 s THR 56 CO -0.01 0.12 -0.14 -1.66 -2.21 0.00 0.00 174.62 170.72 1sa8 s TRP 57 N 0.23 1.52 0.00 9.09 -2.14 -1.26 -0.39 118.94 126.00 1sa8 s TRP 57 Ca -0.02 -0.60 0.08 0.00 2.66 0.00 0.00 56.10 58.22 1sa8 s TRP 57 Cb -0.05 -0.75 -0.02 0.00 -3.10 0.00 0.00 33.47 29.54 1sa8 s TRP 57 CO -0.00 0.22 -0.25 0.95 -2.66 0.00 0.00 176.95 175.21 1sa8 s THR 58 N -2.68 2.01 -0.24 0.66 -4.23 0.31 0.05 115.64 111.52 1sa8 s THR 58 Ca 0.16 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1sa8 s THR 58 Cb -0.02 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 1sa8 s THR 58 CO 0.04 0.49 -0.01 -0.32 -0.54 0.00 0.00 174.62 174.28 1sa8 s MET 59 N -0.81 3.26 -0.03 3.99 1.75 -1.25 -2.29 119.30 123.92 1sa8 s MET 59 Ca 0.10 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1sa8 s MET 59 Cb -0.10 -3.12 0.03 0.00 2.84 0.00 0.00 34.83 34.49 1sa8 s MET 59 CO 0.00 -0.28 0.05 -2.00 -0.65 0.00 0.00 175.02 172.14 1sa8 s GLU 60 N 1.48 -0.02 -1.33 4.11 2.56 -0.89 -4.88 118.70 119.73 1sa8 s GLU 60 Ca 0.04 0.30 -0.06 0.00 0.00 0.00 0.00 54.97 55.25 1sa8 s GLU 60 Cb -0.15 -0.45 0.02 0.00 2.00 0.00 0.00 34.13 35.54 1sa8 s GLU 60 CO -0.02 -0.27 1.04 0.41 -0.56 0.00 0.00 175.26 175.86 1sa8 n GLY 61 N 4.91 -0.45 3.00 -1.50 0.00 -1.26 -2.54 105.19 107.35 1sa8 n GLY 61 Ca -0.12 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1sa8 n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sa8 n ASN 62 N -3.03 -3.84 -3.96 1.61 4.13 -1.26 -4.90 115.26 104.00 1sa8 n ASN 62 Ca -0.12 -0.44 -0.21 0.00 1.68 0.00 0.00 54.58 55.49 1sa8 n ASN 62 Cb 0.61 -4.02 -0.16 0.00 -1.54 0.00 0.00 39.78 34.66 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1sa8 s LYS 63 N -5.57 1.06 -0.36 3.52 3.01 -1.05 -0.75 119.74 119.59 1sa8 s LYS 63 Ca 0.24 -0.24 -0.01 0.00 -1.01 0.00 0.00 55.97 54.95 1sa8 s LYS 63 Cb -0.11 -0.97 0.09 0.00 -1.01 0.00 0.00 37.83 35.83 1sa8 s LYS 63 CO 0.56 0.01 0.11 -0.51 0.51 0.00 0.00 175.35 176.03 1sa8 s LEU 64 N 0.61 4.74 -0.11 3.17 1.43 0.20 -2.09 118.68 126.63 1sa8 s LEU 64 Ca -0.10 -1.81 -0.04 0.00 -1.03 0.00 0.00 54.13 51.15 1sa8 s LEU 64 Cb -0.13 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1sa8 s LEU 64 CO 0.01 -0.43 0.22 -0.69 0.23 0.00 0.00 176.35 175.70 1sa8 s VAL 65 N 1.14 -0.33 0.00 -1.59 1.01 -0.97 -0.50 120.40 119.16 1sa8 s VAL 65 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1sa8 s VAL 65 Cb -0.21 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1sa8 s VAL 65 CO -0.04 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1sa8 n GLY 66 N 5.25 5.17 3.46 4.51 0.00 -1.24 -0.53 105.19 121.81 1sa8 n GLY 66 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1sa8 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sa8 s LYS 67 N 4.66 0.55 0.02 1.61 2.47 0.48 -4.85 119.74 124.67 1sa8 s LYS 67 Ca 0.00 1.25 0.07 0.00 -1.56 0.00 0.00 55.97 55.73 1sa8 s LYS 67 Cb 0.00 0.74 -0.02 0.00 -1.46 0.00 0.00 37.83 37.09 1sa8 s LYS 67 CO 0.00 -0.33 -0.21 -0.06 0.16 0.00 0.00 175.35 174.90 1sa8 s PHE 68 N 2.87 1.89 -0.20 4.03 0.40 -1.25 -1.36 117.98 124.34 1sa8 s PHE 68 Ca 0.03 -0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1sa8 s PHE 68 Cb -0.13 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1sa8 s PHE 68 CO -0.19 0.04 0.03 0.21 0.70 0.00 0.00 175.22 176.00 1sa8 s LYS 69 N -0.87 3.72 -0.77 0.44 2.20 0.79 -1.01 119.74 124.24 1sa8 s LYS 69 Ca 0.08 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1sa8 s LYS 69 Cb -0.09 -3.15 0.19 0.00 -1.51 0.00 0.00 37.83 33.27 1sa8 s LYS 69 CO 0.01 0.05 0.59 0.50 -0.36 0.00 0.00 175.35 176.14 1sa8 s ARG 70 N 0.92 2.73 0.36 4.03 3.00 -1.06 -1.44 118.95 127.49 1sa8 s ARG 70 Ca 0.02 -3.33 0.06 0.00 -1.00 0.00 0.00 55.73 51.49 1sa8 s ARG 70 Cb -0.14 -3.60 0.67 0.00 0.00 0.00 0.00 34.95 31.88 1sa8 s ARG 70 CO 0.02 -1.28 1.89 -0.24 0.00 0.00 0.00 175.30 175.69 1sa8 h VAL 71 N 4.29 1.19 -0.86 7.11 3.04 -1.72 0.84 116.25 130.14 1sa8 h VAL 71 Ca 0.15 -0.78 0.06 0.00 -1.01 0.00 0.00 66.70 65.12 1sa8 h VAL 71 Cb 0.77 1.05 -0.06 0.00 -2.01 0.00 0.00 31.29 31.05 1sa8 h VAL 71 CO 0.76 0.26 0.56 -0.78 -1.01 0.00 0.00 177.57 177.36 1sa8 h ASP 72 N 0.39 0.85 0.00 3.17 1.82 -1.88 -3.24 116.42 117.52 1sa8 h ASP 72 Ca 0.08 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.47 1sa8 h ASP 72 Cb 0.35 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 1sa8 h ASP 72 CO 0.02 0.55 -1.97 -3.20 -1.61 0.00 0.00 179.24 173.02 1sa8 n ASN 73 N -4.48 2.35 0.00 2.28 5.15 -1.18 -5.07 115.26 114.30 1sa8 n ASN 73 Ca 0.13 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1sa8 n ASN 73 Cb 0.20 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1sa8 n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sa8 n GLY 74 N 2.52 1.16 0.00 8.20 0.00 0.24 -5.08 105.19 112.22 1sa8 n GLY 74 Ca -0.28 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sa8 n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sa8 n LYS 75 N 0.00 0.00 -3.67 1.61 4.81 -0.88 -4.12 118.16 115.91 1sa8 n LYS 75 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1sa8 n LYS 75 Cb 0.00 -0.18 -0.15 0.00 0.02 0.00 0.00 35.03 34.72 1sa8 n LYS 75 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1sa8 s GLU 76 N -1.00 0.07 -0.26 1.64 2.02 -1.26 -2.56 118.70 117.35 1sa8 s GLU 76 Ca 0.00 0.61 -0.03 0.00 0.02 0.00 0.00 54.97 55.57 1sa8 s GLU 76 Cb 0.00 -0.20 0.08 0.00 0.10 0.00 0.00 34.13 34.11 1sa8 s GLU 76 CO 0.00 -0.29 0.08 -1.17 0.02 0.00 0.00 175.26 173.90 1sa8 s LEU 77 N 2.27 1.33 -0.06 1.80 2.96 -0.18 -1.56 118.68 125.24 1sa8 s LEU 77 Ca 0.02 -1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 52.69 1sa8 s LEU 77 Cb -0.12 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1sa8 s LEU 77 CO -0.07 -0.38 0.09 -0.63 -1.32 0.00 0.00 176.35 174.04 1sa8 s ILE 78 N 1.85 4.93 -0.30 6.68 1.01 0.16 -3.88 121.20 131.65 1sa8 s ILE 78 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 1sa8 s ILE 78 Cb -0.17 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1sa8 s ILE 78 CO -0.21 0.48 0.18 0.00 0.00 0.00 0.00 174.94 175.39 1sa8 s ALA 79 N -1.09 3.39 -0.04 9.38 0.00 -1.26 0.11 121.76 132.25 1sa8 s ALA 79 Ca 0.19 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1sa8 s ALA 79 Cb -0.12 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1sa8 s ALA 79 CO 0.09 -0.78 0.00 0.08 0.00 0.00 0.00 175.76 175.15 1sa8 s VAL 80 N 1.68 0.25 -0.12 0.00 1.01 -0.73 -3.62 120.40 118.87 1sa8 s VAL 80 Ca 0.06 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1sa8 s VAL 80 Cb -0.17 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 35.95 1sa8 s VAL 80 CO 0.08 0.19 0.91 -0.60 0.00 0.00 0.00 175.10 175.68 1sa8 s ARG 81 N 1.40 0.73 0.12 2.72 6.06 0.34 -3.67 118.95 126.66 1sa8 s ARG 81 Ca -0.04 0.14 0.10 0.00 -2.50 0.00 0.00 55.73 53.44 1sa8 s ARG 81 Cb -0.13 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.18 1sa8 s ARG 81 CO -0.03 -0.24 -0.25 -1.83 -2.50 0.00 0.00 175.30 170.46 1sa8 s GLU 82 N -1.27 1.50 -0.23 5.12 -1.05 -1.26 0.60 118.70 122.11 1sa8 s GLU 82 Ca -0.04 -1.30 -0.09 0.00 -0.15 0.00 0.00 54.97 53.39 1sa8 s GLU 82 Cb -0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.69 1sa8 s GLU 82 CO 0.03 0.46 0.12 0.42 0.95 0.00 0.00 175.26 177.23 1sa8 s ILE 83 N -1.07 4.96 -0.10 1.83 1.09 0.07 -4.70 121.20 123.27 1sa8 s ILE 83 Ca 0.15 0.04 0.03 0.00 -1.10 0.00 0.00 60.65 59.77 1sa8 s ILE 83 Cb -0.10 -3.30 -0.01 0.00 -1.06 0.00 0.00 42.46 38.00 1sa8 s ILE 83 CO 0.07 0.37 -0.21 -0.55 -0.10 0.00 0.00 174.94 174.51 1sa8 s SER 84 N 1.07 3.33 1.97 3.58 0.15 -1.26 -4.92 113.70 117.62 1sa8 s SER 84 Ca 0.06 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1sa8 s SER 84 Cb -0.14 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1sa8 s SER 84 CO 0.04 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1sa8 n GLY 85 N 3.42 3.84 2.87 9.45 0.00 -1.26 -3.36 105.19 120.14 1sa8 n GLY 85 Ca -0.19 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1sa8 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sa8 s ASN 86 N -4.00 4.23 -0.00 1.61 0.01 -1.26 -5.05 114.94 110.48 1sa8 s ASN 86 Ca 0.00 -2.36 -0.30 0.00 -0.71 0.00 0.00 52.86 49.50 1sa8 s ASN 86 Cb 0.00 -1.32 0.11 0.00 0.41 0.00 0.00 41.25 40.45 1sa8 s ASN 86 CO 0.00 -0.33 1.12 -1.83 -1.51 0.00 0.00 177.10 174.55 1sa8 s GLU 87 N 0.65 0.67 -0.18 -0.60 -1.05 -1.21 -4.00 118.70 112.97 1sa8 s GLU 87 Ca 0.14 -0.34 -0.09 0.00 -0.15 0.00 0.00 54.97 54.53 1sa8 s GLU 87 Cb -0.22 0.25 0.06 0.00 -0.44 0.00 0.00 34.13 33.79 1sa8 s GLU 87 CO -0.08 -0.30 0.43 -1.17 0.95 0.00 0.00 175.26 175.09 1sa8 s LEU 88 N -2.73 -0.23 0.32 1.83 2.96 -0.82 -4.23 118.68 115.77 1sa8 s LEU 88 Ca 0.11 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 1sa8 s LEU 88 Cb 0.01 1.41 -0.02 0.00 0.50 0.00 0.00 46.19 48.09 1sa8 s LEU 88 CO -0.03 -0.20 0.37 -0.63 -1.32 0.00 0.00 176.35 174.53 1sa8 s ILE 89 N 1.60 4.00 -0.20 6.68 -1.09 -1.26 -1.01 121.20 129.92 1sa8 s ILE 89 Ca -0.08 -1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 57.11 1sa8 s ILE 89 Cb -0.09 -3.36 0.07 0.00 -1.58 0.00 0.00 42.46 37.50 1sa8 s ILE 89 CO -0.13 -0.20 0.12 -1.58 -1.23 0.00 0.00 174.94 171.93 1sa8 s GLN 90 N -4.06 0.11 -0.19 2.79 0.74 0.23 -4.87 119.66 114.42 1sa8 s GLN 90 Ca 0.41 -0.12 -0.07 0.00 0.05 0.00 0.00 55.36 55.64 1sa8 s GLN 90 Cb -0.08 -1.58 -0.04 0.00 1.10 0.00 0.00 33.01 32.42 1sa8 s GLN 90 CO 0.29 -0.74 0.05 0.99 -0.55 0.00 0.00 175.29 175.33 1sa8 s THR 91 N 2.17 4.60 -0.36 -0.34 2.01 -1.24 -0.38 115.64 122.10 1sa8 s THR 91 Ca 0.04 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 1sa8 s THR 91 Cb -0.16 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1sa8 s THR 91 CO -0.15 0.44 0.20 -0.31 -0.69 0.00 0.00 174.62 174.11 1sa8 s TYR 92 N 0.60 3.23 -0.43 4.92 1.51 0.17 -1.77 117.35 125.57 1sa8 s TYR 92 Ca 0.02 -0.80 -0.13 0.00 -1.01 0.00 0.00 57.07 55.16 1sa8 s TYR 92 Cb -0.13 -2.43 0.06 0.00 -0.11 0.00 0.00 41.96 39.35 1sa8 s TYR 92 CO 0.01 -0.58 0.31 0.99 -1.11 0.00 0.00 175.55 175.17 1sa8 s THR 93 N 1.59 4.79 -0.23 -0.71 2.01 0.31 -0.46 115.64 122.94 1sa8 s THR 93 Ca 0.03 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.84 1sa8 s THR 93 Cb -0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1sa8 s THR 93 CO 0.07 -0.47 0.09 -0.47 -0.69 0.00 0.00 174.62 173.15 1sa8 s TYR 94 N 1.56 3.19 0.00 4.92 5.04 0.12 0.40 117.35 132.58 1sa8 s TYR 94 Ca 0.03 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1sa8 s TYR 94 Cb -0.23 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 39.89 1sa8 s TYR 94 CO 0.05 -0.08 0.00 -1.91 -1.34 0.00 0.00 175.55 172.28 1sa8 n GLU 95 N 4.32 0.00 -0.71 4.97 2.13 -0.60 -1.26 120.64 129.48 1sa8 n GLU 95 Ca -0.16 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.63 1sa8 n GLU 95 Cb 0.52 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.20 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sa8 n GLY 96 N 0.00 0.74 3.04 8.31 0.00 -1.26 -5.07 105.19 110.94 1sa8 n GLY 96 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1sa8 n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sa8 s VAL 97 N 0.00 0.73 -0.14 1.61 -7.23 -0.39 -5.14 120.40 109.84 1sa8 s VAL 97 Ca 0.00 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1sa8 s VAL 97 Cb 0.00 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1sa8 s VAL 97 CO 0.00 0.12 -0.20 -1.83 -0.31 0.00 0.00 175.10 172.87 1sa8 s GLU 98 N -0.46 3.08 -0.13 4.82 -1.05 -1.26 0.16 118.70 123.87 1sa8 s GLU 98 Ca 0.02 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 53.98 1sa8 s GLU 98 Cb -0.05 -2.47 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 1sa8 s GLU 98 CO -0.00 0.03 -0.02 0.00 0.95 0.00 0.00 175.26 176.22 1sa8 s ALA 99 N 0.73 3.10 -0.02 -0.84 0.00 0.40 -4.92 121.76 120.21 1sa8 s ALA 99 Ca -0.09 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1sa8 s ALA 99 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1sa8 s ALA 99 CO 0.00 0.35 -0.15 -1.59 0.00 0.00 0.00 175.76 174.37 1sa8 s LYS 100 N -0.09 1.27 -0.10 0.00 -2.85 -1.26 0.43 119.74 117.15 1sa8 s LYS 100 Ca 0.03 -0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 1sa8 s LYS 100 Cb -0.13 -1.22 -0.03 0.00 -2.06 0.00 0.00 37.83 34.39 1sa8 s LYS 100 CO 0.02 0.31 0.03 0.50 0.10 0.00 0.00 175.35 176.32 1sa8 s ARG 101 N -0.30 3.13 -0.15 1.78 6.06 0.49 -4.92 118.95 125.04 1sa8 s ARG 101 Ca 0.05 -0.35 -0.06 0.00 -2.50 0.00 0.00 55.73 52.86 1sa8 s ARG 101 Cb -0.06 -2.89 -0.04 0.00 0.06 0.00 0.00 34.95 32.01 1sa8 s ARG 101 CO -0.00 0.69 0.07 0.42 -2.50 0.00 0.00 175.30 173.97 1sa8 s ILE 102 N -0.83 4.85 0.09 4.11 1.01 -1.26 -0.60 121.20 128.56 1sa8 s ILE 102 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 1sa8 s ILE 102 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1sa8 s ILE 102 CO 0.03 0.52 -0.01 -0.36 0.00 0.00 0.00 174.94 175.11 1sa8 s PHE 103 N -0.13 0.72 0.02 3.97 0.08 -0.18 -4.99 117.98 117.47 1sa8 s PHE 103 Ca 0.07 -1.09 -0.19 0.00 0.12 0.00 0.00 56.93 55.84 1sa8 s PHE 103 Cb -0.12 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1sa8 s PHE 103 CO 0.01 -0.37 0.42 -1.59 -0.10 0.00 0.00 175.22 173.59 1sa8 s LYS 104 N -3.94 0.88 0.15 0.44 0.00 -1.26 -1.95 119.74 114.06 1sa8 s LYS 104 Ca 0.14 -0.25 -0.31 0.00 0.00 0.00 0.00 55.97 55.54 1sa8 s LYS 104 Cb 0.07 0.39 -0.11 0.00 0.00 0.00 0.00 37.83 38.19 1sa8 s LYS 104 CO -0.05 -0.29 1.77 0.21 0.00 0.00 0.00 175.35 177.00 1sa8 s LYS 105 N -2.06 4.14 0.00 1.78 2.36 -1.26 -0.24 119.74 124.46 1sa8 s LYS 105 Ca -0.08 2.58 0.28 0.00 -2.55 0.00 0.00 55.97 56.20 1sa8 s LYS 105 Cb -0.02 -3.39 1.66 0.00 -1.05 0.00 0.00 37.83 35.04 1sa8 s LYS 105 CO 0.01 -0.80 2.00 -1.91 1.55 0.00 0.00 175.35 176.20