#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 -3.21 0.00 3.01 -1.26 -4.95 117.46 111.04 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 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 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 -6.40 -3.69 4.37 2.03 -0.14 -5.01 116.55 107.71 1sa8 n ASP 3 Ca 0.00 -0.69 -0.05 0.00 0.52 0.00 0.00 54.79 54.57 1sa8 n ASP 3 Cb 0.00 -5.11 -0.02 0.00 -0.72 0.00 0.00 41.12 35.28 1sa8 n ASP 3 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sa8 s GLY 4 N -3.41 -0.29 -0.20 0.27 0.00 -1.20 -5.01 107.32 97.48 1sa8 s GLY 4 Ca 0.43 0.31 -0.09 0.00 0.00 0.00 0.00 44.72 45.37 1sa8 s GLY 4 CO 0.72 0.08 0.11 -0.51 0.00 0.00 0.00 173.10 173.50 1sa8 s THR 5 N -3.31 5.12 -0.30 0.90 -4.23 -1.26 -2.09 115.64 110.46 1sa8 s THR 5 Ca 0.10 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1sa8 s THR 5 Cb -0.02 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.58 1sa8 s THR 5 CO -0.01 0.42 0.09 0.26 -0.54 0.00 0.00 174.62 174.85 1sa8 s TRP 6 N 0.56 1.79 0.07 3.99 0.52 -0.06 0.04 118.94 125.84 1sa8 s TRP 6 Ca 0.06 -1.75 -0.27 0.00 0.02 0.00 0.00 56.10 54.15 1sa8 s TRP 6 Cb -0.12 -1.73 0.09 0.00 -1.15 0.00 0.00 33.47 30.55 1sa8 s TRP 6 CO 0.00 -0.87 1.00 0.21 0.02 0.00 0.00 176.95 177.32 1sa8 s LYS 7 N 1.59 0.94 -0.22 4.98 2.47 0.52 -4.25 119.74 125.77 1sa8 s LYS 7 Ca 0.09 -0.48 -0.04 0.00 -1.56 0.00 0.00 55.97 53.98 1sa8 s LYS 7 Cb -0.17 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1sa8 s LYS 7 CO -0.23 -0.43 -0.04 0.08 0.16 0.00 0.00 175.35 174.89 1sa8 s VAL 8 N -3.08 3.42 0.00 4.02 1.01 -1.24 -4.31 120.40 120.22 1sa8 s VAL 8 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1sa8 s VAL 8 Cb -0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1sa8 s VAL 8 CO -0.02 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1sa8 n GLY 9 N 4.79 3.98 0.30 4.51 0.00 -1.26 -2.84 105.19 114.67 1sa8 n GLY 9 Ca -0.18 0.06 0.20 0.00 0.00 0.00 0.00 46.02 46.09 1sa8 n GLY 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sa8 h GLY 10 N 0.00 0.00 -4.85 -0.02 0.00 -2.00 -3.42 103.07 92.78 1sa8 h GLY 10 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1sa8 h GLY 10 CO 0.00 0.00 -0.55 0.48 0.00 0.00 0.00 176.54 176.47 1sa8 s LEU 11 N -6.08 4.09 0.11 3.11 0.05 -1.13 -4.89 118.68 113.95 1sa8 s LEU 11 Ca -0.02 0.16 0.05 0.00 0.05 0.00 0.00 54.13 54.37 1sa8 s LEU 11 Cb 0.11 -2.66 -0.04 0.00 -2.05 0.00 0.00 46.19 41.55 1sa8 s LEU 11 CO 0.47 0.19 -0.13 -1.59 -0.55 0.00 0.00 176.35 174.74 1sa8 s LYS 12 N -2.32 0.96 -0.22 1.48 -2.85 -1.26 -3.64 119.74 111.89 1sa8 s LYS 12 Ca 0.31 -1.21 -0.16 0.00 -1.00 0.00 0.00 55.97 53.90 1sa8 s LYS 12 Cb -0.13 -0.77 0.06 0.00 -2.06 0.00 0.00 37.83 34.94 1sa8 s LYS 12 CO 0.23 0.14 0.57 -1.17 0.10 0.00 0.00 175.35 175.22 1sa8 s LEU 13 N -2.46 -0.40 -0.06 2.77 0.20 -1.25 -3.33 118.68 114.16 1sa8 s LEU 13 Ca 0.08 1.20 -0.02 0.00 0.69 0.00 0.00 54.13 56.08 1sa8 s LEU 13 Cb -0.04 1.96 0.04 0.00 -0.43 0.00 0.00 46.19 47.71 1sa8 s LEU 13 CO 0.02 -0.21 0.12 -0.89 -0.29 0.00 0.00 176.35 175.10 1sa8 s THR 14 N 0.94 -0.09 -0.34 3.68 2.01 -1.20 -0.88 115.64 119.76 1sa8 s THR 14 Ca -0.05 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1sa8 s THR 14 Cb -0.05 -0.22 0.08 0.00 0.01 0.00 0.00 72.50 72.32 1sa8 s THR 14 CO -0.08 0.09 0.06 -0.63 -0.69 0.00 0.00 174.62 173.37 1sa8 s ILE 15 N 1.37 2.81 0.05 1.82 1.01 -0.89 -0.62 121.20 126.75 1sa8 s ILE 15 Ca -0.07 -1.83 0.02 0.00 0.00 0.00 0.00 60.65 58.78 1sa8 s ILE 15 Cb -0.12 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1sa8 s ILE 15 CO -0.05 -0.38 0.06 -0.89 0.00 0.00 0.00 174.94 173.67 1sa8 s THR 16 N 1.12 4.44 -0.13 2.92 2.01 -0.82 -0.97 115.64 124.22 1sa8 s THR 16 Ca 0.02 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 1sa8 s THR 16 Cb -0.20 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.26 1sa8 s THR 16 CO -0.04 0.22 0.32 0.00 -0.69 0.00 0.00 174.62 174.43 1sa8 s GLN 17 N -2.10 0.32 -0.63 4.92 0.00 -1.25 -1.43 119.66 119.50 1sa8 s GLN 17 Ca 0.26 0.57 -0.07 0.00 -0.00 0.00 0.00 55.36 56.12 1sa8 s GLN 17 Cb -0.12 0.02 0.16 0.00 0.00 0.00 0.00 33.01 33.07 1sa8 s GLN 17 CO 0.18 -0.12 0.49 -1.83 0.00 0.00 0.00 175.29 174.01 1sa8 s GLU 18 N 0.88 2.78 4.20 9.60 -1.05 -1.19 -4.90 118.70 129.02 1sa8 s GLU 18 Ca -0.06 -2.30 0.00 0.00 -0.15 0.00 0.00 54.97 52.46 1sa8 s GLU 18 Cb -0.07 -3.94 0.00 0.00 -0.44 0.00 0.00 34.13 29.68 1sa8 s GLU 18 CO -0.06 -1.20 0.00 0.41 0.95 0.00 0.00 175.26 175.35 1sa8 n GLY 19 N 3.99 1.53 2.89 -3.83 0.00 -1.26 -3.82 105.19 104.69 1sa8 n GLY 19 Ca 0.05 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 4.27 -0.30 1.61 0.02 -1.26 -4.97 114.94 110.31 1sa8 s ASN 20 Ca 0.00 -2.47 -0.09 0.00 -1.02 0.00 0.00 52.86 49.28 1sa8 s ASN 20 Cb 0.00 -1.40 0.19 0.00 0.02 0.00 0.00 41.25 40.06 1sa8 s ASN 20 CO 0.00 -0.31 0.96 -0.75 0.02 0.00 0.00 177.10 177.02 1sa8 s LYS 21 N 0.49 0.23 -0.14 -0.60 2.20 -1.25 -4.59 119.74 116.08 1sa8 s LYS 21 Ca 0.14 0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 1sa8 s LYS 21 Cb -0.22 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1sa8 s LYS 21 CO -0.06 -0.38 0.05 -0.06 -0.36 0.00 0.00 175.35 174.54 1sa8 s PHE 22 N 2.93 3.27 -0.07 4.03 0.40 0.74 -3.17 117.98 126.11 1sa8 s PHE 22 Ca 0.17 0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1sa8 s PHE 22 Cb -0.06 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.52 1sa8 s PHE 22 CO -0.20 0.33 -0.13 -0.08 0.70 0.00 0.00 175.22 175.84 1sa8 s THR 23 N -0.22 1.17 -0.14 0.64 -1.32 -0.51 -0.52 115.64 114.73 1sa8 s THR 23 Ca 0.07 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 60.01 1sa8 s THR 23 Cb -0.12 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1sa8 s THR 23 CO 0.02 0.36 0.00 -0.69 -2.21 0.00 0.00 174.62 172.10 1sa8 s VAL 24 N 0.63 4.26 -0.39 5.08 1.01 0.11 -1.94 120.40 129.17 1sa8 s VAL 24 Ca -0.14 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1sa8 s VAL 24 Cb -0.16 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1sa8 s VAL 24 CO 0.04 0.51 0.26 -0.75 0.00 0.00 0.00 175.10 175.16 1sa8 s LYS 25 N 0.02 3.02 -0.04 2.72 2.20 0.21 -0.04 119.74 127.83 1sa8 s LYS 25 Ca 0.02 -0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 54.64 1sa8 s LYS 25 Cb -0.13 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1sa8 s LYS 25 CO 0.02 -0.68 0.08 -1.21 -0.36 0.00 0.00 175.35 173.20 1sa8 s GLU 26 N 1.65 3.14 -0.21 4.03 0.41 0.46 -3.26 118.70 124.91 1sa8 s GLU 26 Ca 0.04 -0.40 -0.14 0.00 -0.41 0.00 0.00 54.97 54.07 1sa8 s GLU 26 Cb -0.19 -2.92 0.06 0.00 -1.78 0.00 0.00 34.13 29.31 1sa8 s GLU 26 CO 0.09 0.68 0.53 -1.12 -0.49 0.00 0.00 175.26 174.96 1sa8 s SER 27 N -1.47 -0.67 -0.30 -0.19 0.01 -1.21 -1.89 113.70 107.99 1sa8 s SER 27 Ca 0.20 1.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 1sa8 s SER 27 Cb -0.12 1.05 0.12 0.00 0.21 0.00 0.00 66.02 67.29 1sa8 s SER 27 CO 0.10 -0.21 0.67 -0.44 0.41 0.00 0.00 173.24 173.77 1sa8 s SER 28 N 1.24 -1.10 0.00 2.44 0.01 -1.18 -4.09 113.70 111.02 1sa8 s SER 28 Ca -0.08 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1sa8 s SER 28 Cb -0.06 2.12 0.00 0.00 0.21 0.00 0.00 66.02 68.28 1sa8 s SER 28 CO -0.12 -0.22 0.00 0.59 0.41 0.00 0.00 173.24 173.90 1sa8 n ASN 29 N 5.22 0.00 -2.71 2.44 5.03 -1.26 -3.37 115.26 120.61 1sa8 n ASN 29 Ca -0.13 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.24 1sa8 n ASN 29 Cb 0.51 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 39.37 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1sa8 n PHE 30 N 0.00 -2.37 -3.60 3.10 7.35 -1.26 -5.13 117.46 115.56 1sa8 n PHE 30 Ca 0.00 -1.85 -0.13 0.00 -0.76 0.00 0.00 57.45 54.72 1sa8 n PHE 30 Cb 0.00 1.56 -0.06 0.00 0.35 0.00 0.00 39.48 41.32 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 0.21 0.74 -0.07 -4.13 3.03 -1.22 -5.16 118.95 112.36 1sa8 s ARG 31 Ca 0.21 0.54 0.01 0.00 2.03 0.00 0.00 55.73 58.52 1sa8 s ARG 31 Cb 0.31 0.35 0.02 0.00 -1.03 0.00 0.00 34.95 34.61 1sa8 s ARG 31 CO -0.08 -0.16 -0.06 1.21 -1.13 0.00 0.00 175.30 175.09 1sa8 s ASN 32 N -0.32 1.45 -0.16 -2.89 2.47 -1.26 -3.12 114.94 111.12 1sa8 s ASN 32 Ca -0.02 -0.19 -0.17 0.00 0.42 0.00 0.00 52.86 52.89 1sa8 s ASN 32 Cb -0.03 -0.60 0.05 0.00 -1.45 0.00 0.00 41.25 39.21 1sa8 s ASN 32 CO 0.01 -0.07 0.48 -0.51 -3.72 0.00 0.00 177.10 173.29 1sa8 s ILE 33 N 1.16 0.01 -0.06 -5.21 2.07 -0.79 -5.02 121.20 113.35 1sa8 s ILE 33 Ca -0.07 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1sa8 s ILE 33 Cb -0.14 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1sa8 s ILE 33 CO -0.01 -0.03 0.03 -1.81 -1.91 0.00 0.00 174.94 171.22 1sa8 s ASP 34 N 0.02 5.45 -0.15 4.50 1.11 -1.26 -0.41 116.67 125.93 1sa8 s ASP 34 Ca -0.02 0.17 -0.04 0.00 0.18 0.00 0.00 52.55 52.84 1sa8 s ASP 34 Cb -0.03 -1.56 -0.03 0.00 1.07 0.00 0.00 42.92 42.37 1sa8 s ASP 34 CO 0.02 0.35 -0.03 0.54 1.18 0.00 0.00 175.17 177.22 1sa8 s VAL 35 N -0.99 3.95 -0.06 -1.27 0.11 0.95 -4.91 120.40 118.17 1sa8 s VAL 35 Ca 0.16 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1sa8 s VAL 35 Cb -0.12 -2.73 -0.01 0.00 -1.53 0.00 0.00 36.38 32.00 1sa8 s VAL 35 CO 0.06 0.50 -0.24 0.54 -3.33 0.00 0.00 175.10 172.62 1sa8 s VAL 36 N 0.32 2.00 -0.22 2.04 0.11 -1.26 0.07 120.40 123.45 1sa8 s VAL 36 Ca -0.03 -1.03 -0.26 0.00 -2.93 0.00 0.00 61.98 57.73 1sa8 s VAL 36 Cb -0.14 -1.70 0.08 0.00 -1.53 0.00 0.00 36.38 33.09 1sa8 s VAL 36 CO 0.03 0.55 0.75 0.72 -3.33 0.00 0.00 175.10 173.82 1sa8 s PHE 37 N -0.06 -0.72 0.04 1.54 -0.12 0.32 -5.00 117.98 113.98 1sa8 s PHE 37 Ca -0.06 1.65 0.01 0.00 -0.05 0.00 0.00 56.93 58.48 1sa8 s PHE 37 Cb -0.14 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1sa8 s PHE 37 CO 0.04 -0.42 0.10 -1.21 -0.05 0.00 0.00 175.22 173.69 1sa8 s GLU 38 N -0.02 3.05 0.02 1.99 2.02 -1.26 -0.19 118.70 124.31 1sa8 s GLU 38 Ca -0.02 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1sa8 s GLU 38 Cb -0.04 -2.83 -0.08 0.00 0.10 0.00 0.00 34.13 31.28 1sa8 s GLU 38 CO 0.02 0.61 1.91 -0.51 0.02 0.00 0.00 175.26 177.31 1sa8 s LEU 39 N -2.14 4.41 -0.17 1.80 2.01 -1.26 -2.35 118.68 120.97 1sa8 s LEU 39 Ca 0.28 2.58 -0.01 0.00 0.01 0.00 0.00 54.13 56.99 1sa8 s LEU 39 Cb -0.12 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.55 1sa8 s LEU 39 CO 0.20 -1.03 0.12 0.61 1.01 0.00 0.00 176.35 177.25 1sa8 n GLY 40 N 4.47 0.68 3.14 -3.19 0.00 0.68 -5.00 105.19 105.98 1sa8 n GLY 40 Ca 0.19 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.87 1.53 -0.18 1.61 1.01 -0.99 -4.95 120.40 115.56 1sa8 s VAL 41 Ca 0.06 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1sa8 s VAL 41 Cb -0.03 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1sa8 s VAL 41 CO 0.07 0.44 0.06 -0.62 0.00 0.00 0.00 175.10 175.05 1sa8 s ASP 42 N 0.15 5.62 0.14 3.32 -1.08 -1.26 -2.76 116.67 120.80 1sa8 s ASP 42 Ca -0.07 0.09 -0.20 0.00 -0.52 0.00 0.00 52.55 51.84 1sa8 s ASP 42 Cb -0.13 -1.95 0.05 0.00 -1.46 0.00 0.00 42.92 39.43 1sa8 s ASP 42 CO 0.03 0.19 0.51 0.72 0.52 0.00 0.00 175.17 177.15 1sa8 s PHE 43 N 0.29 -0.40 -0.13 -5.34 -0.12 -0.57 -4.92 117.98 106.79 1sa8 s PHE 43 Ca 0.03 0.17 -0.05 0.00 -0.05 0.00 0.00 56.93 57.03 1sa8 s PHE 43 Cb -0.12 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 1sa8 s PHE 43 CO 0.00 -0.77 0.06 0.00 -0.05 0.00 0.00 175.22 174.46 1sa8 s ALA 44 N -3.65 3.49 -0.10 1.99 0.00 -1.26 -0.30 121.76 121.93 1sa8 s ALA 44 Ca 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1sa8 s ALA 44 Cb 0.00 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.39 1sa8 s ALA 44 CO -0.12 0.44 0.24 -0.47 0.00 0.00 0.00 175.76 175.85 1sa8 s TYR 45 N -0.44 -0.31 -0.24 0.00 5.04 0.27 -4.96 117.35 116.72 1sa8 s TYR 45 Ca 0.10 0.74 -0.09 0.00 -2.44 0.00 0.00 57.07 55.37 1sa8 s TYR 45 Cb -0.12 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 1sa8 s TYR 45 CO 0.02 -0.21 0.12 0.45 -1.34 0.00 0.00 175.55 174.59 1sa8 s SER 46 N 1.04 5.66 -0.20 4.32 0.15 -1.26 -1.08 113.70 122.33 1sa8 s SER 46 Ca -0.08 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.50 1sa8 s SER 46 Cb -0.09 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1sa8 s SER 46 CO -0.07 0.03 -0.00 -0.76 1.20 0.00 0.00 173.24 173.64 1sa8 s LEU 47 N 1.26 3.23 -1.37 3.45 1.02 0.65 -4.55 118.68 122.37 1sa8 s LEU 47 Ca 0.06 -0.22 -0.05 0.00 0.02 0.00 0.00 54.13 53.94 1sa8 s LEU 47 Cb -0.14 -1.82 0.03 0.00 0.02 0.00 0.00 46.19 44.27 1sa8 s LEU 47 CO 0.05 0.05 0.37 0.00 0.02 0.00 0.00 176.35 176.84 1sa8 n ALA 48 N 4.32 -0.93 -3.92 4.21 0.00 -1.26 -1.46 120.51 121.46 1sa8 n ALA 48 Ca -0.17 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1sa8 n ALA 48 Cb 0.52 -2.79 0.02 0.00 0.00 0.00 0.00 19.45 17.19 1sa8 n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sa8 n ASP 49 N -2.23 -4.64 0.00 0.00 8.00 -1.26 -4.77 116.55 111.66 1sa8 n ASP 49 Ca -0.10 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1sa8 n ASP 49 Cb 0.60 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sa8 n GLY 50 N -1.63 -0.62 3.69 0.44 0.00 -0.54 -5.08 105.19 101.46 1sa8 n GLY 50 Ca 0.05 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.02 3.98 -0.52 2.61 -4.23 -0.95 -4.85 115.64 110.66 1sa8 s THR 51 Ca 0.00 1.36 0.03 0.00 -1.18 0.00 0.00 61.69 61.90 1sa8 s THR 51 Cb 0.00 -3.87 0.13 0.00 1.34 0.00 0.00 72.50 70.10 1sa8 s THR 51 CO 0.00 0.02 0.26 -1.61 -0.54 0.00 0.00 174.62 172.76 1sa8 s GLU 52 N 2.00 2.01 -0.23 3.99 2.02 -1.26 -0.25 118.70 126.98 1sa8 s GLU 52 Ca 0.60 -2.56 -0.08 0.00 0.02 0.00 0.00 54.97 52.95 1sa8 s GLU 52 Cb -0.28 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1sa8 s GLU 52 CO 0.25 -1.10 0.10 -0.51 0.02 0.00 0.00 175.26 174.01 1sa8 s LEU 53 N -0.17 3.74 -0.31 1.80 1.02 -0.24 -2.15 118.68 122.37 1sa8 s LEU 53 Ca 0.16 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.25 1sa8 s LEU 53 Cb -0.25 -1.99 0.04 0.00 0.02 0.00 0.00 46.19 44.02 1sa8 s LEU 53 CO -0.01 0.05 0.03 -0.89 0.02 0.00 0.00 176.35 175.55 1sa8 s THR 54 N 1.12 3.27 0.11 5.49 2.01 -0.15 -0.56 115.64 126.93 1sa8 s THR 54 Ca 0.05 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.54 1sa8 s THR 54 Cb -0.14 -2.85 0.07 0.00 0.01 0.00 0.00 72.50 69.60 1sa8 s THR 54 CO 0.04 -0.10 0.92 -0.83 -0.69 0.00 0.00 174.62 173.96 1sa8 s GLY 55 N 1.32 -0.32 -0.02 4.40 0.00 0.59 0.31 107.32 113.60 1sa8 s GLY 55 Ca -0.03 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 1sa8 s GLY 55 CO 0.00 0.11 0.06 -1.08 0.00 0.00 0.00 173.10 172.19 1sa8 s THR 56 N -3.27 4.62 -0.03 0.90 -1.32 -0.86 -1.52 115.64 114.17 1sa8 s THR 56 Ca 0.09 -0.38 0.05 0.00 -1.21 0.00 0.00 61.69 60.24 1sa8 s THR 56 Cb -0.01 -3.07 -0.01 0.00 -1.51 0.00 0.00 72.50 67.89 1sa8 s THR 56 CO -0.02 0.41 -0.18 0.86 -2.21 0.00 0.00 174.62 173.47 1sa8 s TRP 57 N -1.12 1.71 -0.03 9.09 -0.11 -1.11 -2.04 118.94 125.33 1sa8 s TRP 57 Ca 0.20 -0.39 0.01 0.00 1.22 0.00 0.00 56.10 57.14 1sa8 s TRP 57 Cb -0.12 -1.12 0.02 0.00 -1.50 0.00 0.00 33.47 30.75 1sa8 s TRP 57 CO 0.11 -0.09 -0.02 0.95 -4.62 0.00 0.00 176.95 173.28 1sa8 s THR 58 N -0.25 0.32 -0.32 5.86 -4.23 -0.71 -0.23 115.64 116.08 1sa8 s THR 58 Ca 0.03 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1sa8 s THR 58 Cb -0.09 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.45 1sa8 s THR 58 CO 0.00 0.16 0.03 -0.32 -0.54 0.00 0.00 174.62 173.95 1sa8 s MET 59 N 0.75 2.22 -0.45 3.99 1.75 -1.26 -2.09 119.30 124.22 1sa8 s MET 59 Ca -0.08 -1.45 -0.12 0.00 -1.25 0.00 0.00 55.69 52.79 1sa8 s MET 59 Cb -0.12 -3.22 0.08 0.00 2.84 0.00 0.00 34.83 34.41 1sa8 s MET 59 CO -0.01 -0.73 0.33 -1.21 -0.65 0.00 0.00 175.02 172.75 1sa8 s GLU 60 N 1.17 2.77 7.81 4.11 2.02 -0.60 -4.88 118.70 131.11 1sa8 s GLU 60 Ca -0.01 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1sa8 s GLU 60 Cb -0.20 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1sa8 s GLU 60 CO -0.03 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.64 1sa8 n GLY 61 N 5.05 3.10 2.41 -1.39 0.00 -1.26 -1.87 105.19 111.22 1sa8 n GLY 61 Ca -0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 8.41 6.47 -4.03 1.61 3.02 -1.26 -4.93 115.26 124.54 1sa8 n ASN 62 Ca 0.00 -3.78 -0.28 0.00 -0.03 0.00 0.00 54.58 50.49 1sa8 n ASN 62 Cb 0.00 -0.75 -0.17 0.00 -0.61 0.00 0.00 39.78 38.25 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sa8 s LYS 63 N -3.78 2.09 -0.37 3.52 3.01 -0.78 -0.38 119.74 123.04 1sa8 s LYS 63 Ca 0.56 -0.51 -0.05 0.00 -1.01 0.00 0.00 55.97 54.96 1sa8 s LYS 63 Cb 0.45 -1.83 0.07 0.00 -1.01 0.00 0.00 37.83 35.51 1sa8 s LYS 63 CO -0.12 -0.11 0.16 -0.51 0.51 0.00 0.00 175.35 175.28 1sa8 s LEU 64 N 1.12 4.74 -0.01 3.17 1.43 0.99 -1.55 118.68 128.57 1sa8 s LEU 64 Ca -0.04 -1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 51.53 1sa8 s LEU 64 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1sa8 s LEU 64 CO -0.03 -0.44 0.04 -0.69 0.23 0.00 0.00 176.35 175.47 1sa8 s VAL 65 N 1.31 0.01 0.00 -1.59 1.01 -0.89 -0.50 120.40 119.75 1sa8 s VAL 65 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1sa8 s VAL 65 Cb -0.21 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1sa8 s VAL 65 CO -0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1sa8 n GLY 66 N 2.92 1.98 3.59 4.51 0.00 -1.26 -1.73 105.19 115.21 1sa8 n GLY 66 Ca -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 1.99 0.51 0.01 1.61 2.20 -0.86 -4.84 119.74 120.36 1sa8 s LYS 67 Ca 0.00 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.77 1sa8 s LYS 67 Cb 0.00 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.73 1sa8 s LYS 67 CO 0.00 -0.14 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.57 1sa8 s PHE 68 N 2.16 1.93 -0.42 4.03 0.40 -1.24 -2.02 117.98 122.82 1sa8 s PHE 68 Ca -0.07 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1sa8 s PHE 68 Cb -0.07 -1.20 0.06 0.00 0.51 0.00 0.00 43.02 42.31 1sa8 s PHE 68 CO -0.18 0.02 0.29 0.21 0.70 0.00 0.00 175.22 176.26 1sa8 s LYS 69 N -0.79 2.83 -1.29 0.44 2.20 0.15 -0.59 119.74 122.69 1sa8 s LYS 69 Ca 0.08 -1.27 -0.13 0.00 -0.36 0.00 0.00 55.97 54.29 1sa8 s LYS 69 Cb -0.09 -3.90 0.13 0.00 -1.51 0.00 0.00 37.83 32.46 1sa8 s LYS 69 CO 0.00 -0.88 1.76 -2.13 -0.36 0.00 0.00 175.35 173.74 1sa8 n ARG 70 N 5.06 3.33 -0.07 4.03 3.00 -1.17 -0.97 116.66 129.86 1sa8 n ARG 70 Ca -0.11 -3.44 0.02 0.00 -0.00 0.00 0.00 57.85 54.31 1sa8 n ARG 70 Cb 0.44 -3.14 0.33 0.00 0.00 0.00 0.00 32.46 30.09 1sa8 n ARG 70 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1sa8 h VAL 71 N 4.45 1.16 -0.71 5.15 -1.51 -1.68 0.35 116.25 123.46 1sa8 h VAL 71 Ca 0.41 -0.42 0.06 0.00 -1.23 0.00 0.00 66.70 65.52 1sa8 h VAL 71 Cb 0.76 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 30.37 1sa8 h VAL 71 CO 1.51 0.18 0.40 -0.78 -1.23 0.00 0.00 177.57 177.65 1sa8 h ASP 72 N 0.69 0.60 0.03 4.19 3.58 -1.87 -3.29 116.42 120.34 1sa8 h ASP 72 Ca 0.18 0.03 -0.37 0.00 0.42 0.00 0.00 57.03 57.28 1sa8 h ASP 72 Cb 0.04 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1sa8 h ASP 72 CO -0.03 0.38 -2.15 -3.20 -2.88 0.00 0.00 179.24 171.36 1sa8 n ASN 73 N -4.76 1.99 0.00 2.28 4.05 -0.94 -5.05 115.26 112.83 1sa8 n ASN 73 Ca 0.09 0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1sa8 n ASN 73 Cb 0.18 -0.73 0.00 0.00 1.23 0.00 0.00 39.78 40.46 1sa8 n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sa8 n GLY 74 N 1.78 -1.90 0.00 8.20 0.00 0.12 -5.07 105.19 108.31 1sa8 n GLY 74 Ca -0.42 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1sa8 n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sa8 n LYS 75 N -1.34 0.00 -3.60 1.61 2.85 -0.79 -4.58 118.16 112.31 1sa8 n LYS 75 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1sa8 n LYS 75 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1sa8 n LYS 75 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1sa8 s GLU 76 N -0.39 0.25 -0.27 -1.58 2.02 -1.26 -3.05 118.70 114.41 1sa8 s GLU 76 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.79 1sa8 s GLU 76 Cb 0.00 -0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.29 1sa8 s GLU 76 CO 0.00 -0.35 0.03 -1.17 0.02 0.00 0.00 175.26 173.80 1sa8 s LEU 77 N 2.51 2.55 0.10 1.80 2.96 0.24 0.01 118.68 128.85 1sa8 s LEU 77 Ca 0.02 -1.45 0.08 0.00 -0.22 0.00 0.00 54.13 52.56 1sa8 s LEU 77 Cb -0.13 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1sa8 s LEU 77 CO -0.12 -0.34 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.81 1sa8 s ILE 78 N 1.48 3.14 -0.15 6.68 1.01 0.70 -3.63 121.20 130.43 1sa8 s ILE 78 Ca 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1sa8 s ILE 78 Cb -0.18 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.87 1sa8 s ILE 78 CO -0.14 0.15 -0.13 0.00 0.00 0.00 0.00 174.94 174.81 1sa8 s ALA 79 N -1.15 1.83 -0.05 9.38 0.00 -1.25 0.84 121.76 131.36 1sa8 s ALA 79 Ca 0.19 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1sa8 s ALA 79 Cb -0.11 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1sa8 s ALA 79 CO 0.11 -0.43 -0.00 0.08 0.00 0.00 0.00 175.76 175.52 1sa8 s VAL 80 N 1.50 0.33 -0.06 0.00 1.01 -0.99 -4.28 120.40 117.91 1sa8 s VAL 80 Ca 0.04 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1sa8 s VAL 80 Cb -0.13 -0.46 0.10 0.00 0.00 0.00 0.00 36.38 35.90 1sa8 s VAL 80 CO -0.10 0.22 0.87 -0.60 0.00 0.00 0.00 175.10 175.49 1sa8 s ARG 81 N 1.54 0.81 0.31 2.72 6.06 0.34 -4.01 118.95 126.72 1sa8 s ARG 81 Ca -0.02 -0.04 0.08 0.00 -2.50 0.00 0.00 55.73 53.25 1sa8 s ARG 81 Cb -0.13 0.38 -0.04 0.00 0.06 0.00 0.00 34.95 35.22 1sa8 s ARG 81 CO -0.03 -0.30 0.15 -1.83 -2.50 0.00 0.00 175.30 170.79 1sa8 s GLU 82 N -2.06 2.53 -0.23 5.12 4.04 -1.26 -0.01 118.70 126.83 1sa8 s GLU 82 Ca -0.01 -1.38 -0.10 0.00 0.04 0.00 0.00 54.97 53.53 1sa8 s GLU 82 Cb -0.01 -2.30 -0.05 0.00 0.02 0.00 0.00 34.13 31.79 1sa8 s GLU 82 CO -0.02 0.21 0.14 0.42 -1.84 0.00 0.00 175.26 174.17 1sa8 s ILE 83 N -2.33 5.18 -0.14 1.83 -1.09 0.48 -4.60 121.20 120.53 1sa8 s ILE 83 Ca 0.36 0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1sa8 s ILE 83 Cb -0.05 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1sa8 s ILE 83 CO 0.23 0.36 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.62 1sa8 s SER 84 N 1.05 3.92 1.77 3.58 0.15 -1.24 -4.96 113.70 117.97 1sa8 s SER 84 Ca 0.07 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1sa8 s SER 84 Cb -0.14 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1sa8 s SER 84 CO 0.04 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1sa8 n GLY 85 N 3.75 2.54 2.53 9.45 0.00 -1.26 -2.61 105.19 119.59 1sa8 n GLY 85 Ca -0.18 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1sa8 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sa8 s ASN 86 N -4.00 3.26 -0.27 1.61 6.03 -1.26 -5.07 114.94 115.24 1sa8 s ASN 86 Ca 0.00 -1.95 -0.26 0.00 -1.03 0.00 0.00 52.86 49.62 1sa8 s ASN 86 Cb 0.00 -0.48 0.14 0.00 -3.03 0.00 0.00 41.25 37.88 1sa8 s ASN 86 CO 0.00 -0.35 1.12 -1.83 -2.03 0.00 0.00 177.10 174.01 1sa8 s GLU 87 N 1.32 0.41 -0.18 3.55 -1.05 -1.07 -3.25 118.70 118.43 1sa8 s GLU 87 Ca 0.15 0.42 -0.02 0.00 -0.15 0.00 0.00 54.97 55.37 1sa8 s GLU 87 Cb -0.21 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.67 1sa8 s GLU 87 CO -0.11 -0.06 -0.08 -1.17 0.95 0.00 0.00 175.26 174.78 1sa8 s LEU 88 N -0.01 2.84 0.04 1.83 2.96 -0.44 -3.70 118.68 122.20 1sa8 s LEU 88 Ca 0.04 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1sa8 s LEU 88 Cb -0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1sa8 s LEU 88 CO -0.07 0.08 0.10 -0.63 -1.32 0.00 0.00 176.35 174.50 1sa8 s ILE 89 N 0.89 4.73 -0.12 6.68 1.09 -1.26 -0.47 121.20 132.75 1sa8 s ILE 89 Ca -0.02 -0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 58.97 1sa8 s ILE 89 Cb -0.15 -3.23 0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1sa8 s ILE 89 CO 0.00 0.23 -0.05 -1.58 -0.10 0.00 0.00 174.94 173.45 1sa8 s GLN 90 N -2.10 1.29 -0.20 2.79 2.00 0.15 -4.77 119.66 118.81 1sa8 s GLN 90 Ca 0.27 -0.26 -0.07 0.00 -2.00 0.00 0.00 55.36 53.30 1sa8 s GLN 90 Cb -0.12 -1.60 -0.04 0.00 0.80 0.00 0.00 33.01 32.06 1sa8 s GLN 90 CO 0.19 -0.33 0.06 0.99 -0.50 0.00 0.00 175.29 175.69 1sa8 s THR 91 N 1.75 4.53 -0.37 -0.34 2.01 -1.26 -1.15 115.64 120.81 1sa8 s THR 91 Ca 0.04 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1sa8 s THR 91 Cb -0.13 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1sa8 s THR 91 CO -0.08 0.42 0.22 -0.31 -0.69 0.00 0.00 174.62 174.18 1sa8 s TYR 92 N 0.84 3.24 -0.44 4.92 1.51 0.80 -2.35 117.35 125.87 1sa8 s TYR 92 Ca 0.03 -0.83 -0.11 0.00 -1.01 0.00 0.00 57.07 55.15 1sa8 s TYR 92 Cb -0.14 -2.45 0.08 0.00 -0.11 0.00 0.00 41.96 39.34 1sa8 s TYR 92 CO 0.02 -0.61 0.30 0.99 -1.11 0.00 0.00 175.55 175.14 1sa8 s THR 93 N 1.59 4.44 -0.31 -0.71 2.01 0.25 -1.89 115.64 121.02 1sa8 s THR 93 Ca 0.03 -1.37 -0.09 0.00 0.31 0.00 0.00 61.69 60.57 1sa8 s THR 93 Cb -0.19 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1sa8 s THR 93 CO 0.07 -0.55 0.14 -0.47 -0.69 0.00 0.00 174.62 173.13 1sa8 s TYR 94 N 1.46 3.17 0.00 4.92 5.04 0.01 -0.22 117.35 131.74 1sa8 s TYR 94 Ca 0.03 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1sa8 s TYR 94 Cb -0.24 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1sa8 s TYR 94 CO 0.03 -0.46 0.00 -1.91 -1.34 0.00 0.00 175.55 171.87 1sa8 n GLU 95 N 4.97 0.00 -1.65 4.97 2.13 0.10 -2.30 120.64 128.86 1sa8 n GLU 95 Ca -0.14 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.65 1sa8 n GLU 95 Cb 0.49 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.23 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 0.73 2.94 8.31 0.00 -1.26 -4.98 105.19 110.93 1sa8 n GLY 96 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.05 0.00 0.01 1.61 -7.23 -0.97 -5.16 120.40 108.71 1sa8 s VAL 97 Ca 0.03 -0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.28 1sa8 s VAL 97 Cb 0.17 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.98 1sa8 s VAL 97 CO -0.05 -0.00 -0.23 -1.83 -0.31 0.00 0.00 175.10 172.68 1sa8 s GLU 98 N 0.04 1.71 -0.06 4.82 4.04 -1.26 -0.81 118.70 127.18 1sa8 s GLU 98 Ca -0.00 -0.90 -0.02 0.00 0.04 0.00 0.00 54.97 54.08 1sa8 s GLU 98 Cb -0.00 -1.74 0.04 0.00 0.02 0.00 0.00 34.13 32.44 1sa8 s GLU 98 CO 0.00 0.47 0.12 0.00 -1.84 0.00 0.00 175.26 174.01 1sa8 s ALA 99 N -0.65 -0.18 -0.01 -0.84 0.00 -0.79 -4.96 121.76 114.32 1sa8 s ALA 99 Ca 0.09 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1sa8 s ALA 99 Cb -0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1sa8 s ALA 99 CO 0.00 -0.19 -0.23 -1.59 0.00 0.00 0.00 175.76 173.75 1sa8 s LYS 100 N 1.26 1.86 -0.03 0.00 -2.85 -1.26 -0.14 119.74 118.59 1sa8 s LYS 100 Ca -0.08 -0.85 0.06 0.00 -1.00 0.00 0.00 55.97 54.10 1sa8 s LYS 100 Cb -0.12 -1.82 -0.02 0.00 -2.06 0.00 0.00 37.83 33.81 1sa8 s LYS 100 CO -0.05 0.50 -0.20 0.50 0.10 0.00 0.00 175.35 176.20 1sa8 s ARG 101 N -0.61 2.30 -0.22 1.78 6.06 -0.30 -4.92 118.95 123.05 1sa8 s ARG 101 Ca 0.09 -0.82 -0.09 0.00 -2.50 0.00 0.00 55.73 52.41 1sa8 s ARG 101 Cb -0.09 -2.22 -0.04 0.00 0.06 0.00 0.00 34.95 32.66 1sa8 s ARG 101 CO -0.01 0.59 0.11 0.42 -2.50 0.00 0.00 175.30 173.91 1sa8 s ILE 102 N -0.69 4.99 0.29 4.11 1.01 -1.26 -0.68 121.20 128.97 1sa8 s ILE 102 Ca 0.11 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1sa8 s ILE 102 Cb -0.10 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 1sa8 s ILE 102 CO 0.00 0.39 -0.02 -0.36 0.00 0.00 0.00 174.94 174.95 1sa8 s PHE 103 N 0.87 1.94 0.23 3.97 0.08 0.38 -4.96 117.98 120.50 1sa8 s PHE 103 Ca 0.06 -0.78 0.04 0.00 0.12 0.00 0.00 56.93 56.36 1sa8 s PHE 103 Cb -0.13 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1sa8 s PHE 103 CO 0.03 0.19 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.74 1sa8 s LYS 104 N -3.78 1.32 0.13 0.44 0.00 -1.26 -1.33 119.74 115.26 1sa8 s LYS 104 Ca 0.31 -1.66 -0.31 0.00 0.00 0.00 0.00 55.97 54.31 1sa8 s LYS 104 Cb 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 37.83 37.18 1sa8 s LYS 104 CO 0.13 -0.09 1.61 0.21 0.00 0.00 0.00 175.35 177.21 1sa8 s LYS 105 N -3.86 4.20 0.00 1.78 2.20 -1.20 -0.35 119.74 122.51 1sa8 s LYS 105 Ca 0.28 2.36 0.31 0.00 -0.36 0.00 0.00 55.97 58.56 1sa8 s LYS 105 Cb 0.06 -3.34 1.67 0.00 -1.51 0.00 0.00 37.83 34.70 1sa8 s LYS 105 CO 0.08 -0.67 2.09 -1.91 -0.36 0.00 0.00 175.35 174.59