#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa8 s PHE 2 N 0.00 2.38 0.00 0.00 0.08 -0.91 -1.53 117.98 118.00 1sa8 s PHE 2 Ca 0.00 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.09 1sa8 s PHE 2 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1sa8 s PHE 2 CO 0.00 -0.39 0.00 -0.25 -0.10 0.00 0.00 175.22 174.48 1sa8 n ASP 3 N 3.55 0.00 -3.76 1.36 8.00 -0.29 -0.52 116.55 124.90 1sa8 n ASP 3 Ca -0.20 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.26 1sa8 n ASP 3 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1sa8 n ASP 3 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1sa8 s GLY 4 N -0.02 -0.22 -0.25 0.44 0.00 -1.19 -3.50 107.32 102.58 1sa8 s GLY 4 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 1sa8 s GLY 4 CO 0.00 0.00 0.11 -0.51 0.00 0.00 0.00 173.10 172.70 1sa8 s THR 5 N -3.38 4.77 -0.17 0.90 -4.23 -1.26 0.29 115.64 112.56 1sa8 s THR 5 Ca 0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1sa8 s THR 5 Cb -0.02 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.64 1sa8 s THR 5 CO 0.02 0.33 -0.00 0.26 -0.54 0.00 0.00 174.62 174.69 1sa8 s TRP 6 N 1.40 1.26 0.11 3.99 0.52 0.65 -1.12 118.94 125.76 1sa8 s TRP 6 Ca 0.06 -0.86 -0.26 0.00 0.02 0.00 0.00 56.10 55.06 1sa8 s TRP 6 Cb -0.15 -1.11 0.08 0.00 -1.15 0.00 0.00 33.47 31.14 1sa8 s TRP 6 CO 0.05 -0.57 1.04 0.21 0.02 0.00 0.00 176.95 177.70 1sa8 s LYS 7 N 1.78 1.00 -0.04 4.98 2.47 -0.28 -3.81 119.74 125.84 1sa8 s LYS 7 Ca 0.00 -0.55 -0.04 0.00 -1.56 0.00 0.00 55.97 53.82 1sa8 s LYS 7 Cb -0.16 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.52 1sa8 s LYS 7 CO -0.07 -0.46 0.16 0.08 0.16 0.00 0.00 175.35 175.22 1sa8 s VAL 8 N -3.08 5.42 -0.05 4.02 1.01 -1.26 -4.63 120.40 121.83 1sa8 s VAL 8 Ca 0.13 -0.06 -0.38 0.00 0.00 0.00 0.00 61.98 61.66 1sa8 s VAL 8 Cb 0.00 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.74 1sa8 s VAL 8 CO 0.01 0.41 1.44 0.61 0.00 0.00 0.00 175.10 177.57 1sa8 n GLY 9 N 1.26 0.49 0.00 4.51 0.00 -1.26 -1.12 105.19 109.07 1sa8 n GLY 9 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 2.95 1.75 3.59 -0.02 0.00 -1.26 -5.06 105.19 107.15 1sa8 n GLY 10 Ca 0.21 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.85 0.04 0.99 1.43 -0.28 -4.81 118.68 118.90 1sa8 s LEU 11 Ca 0.00 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1sa8 s LEU 11 Cb 0.00 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1sa8 s LEU 11 CO 0.00 -0.26 -0.10 -1.59 0.23 0.00 0.00 176.35 174.63 1sa8 s LYS 12 N -3.67 0.67 -0.15 1.70 -2.85 -1.26 -4.31 119.74 109.86 1sa8 s LYS 12 Ca 0.34 -0.68 -0.06 0.00 -1.00 0.00 0.00 55.97 54.57 1sa8 s LYS 12 Cb 0.03 -0.58 0.07 0.00 -2.06 0.00 0.00 37.83 35.29 1sa8 s LYS 12 CO 0.18 0.13 0.32 -1.17 0.10 0.00 0.00 175.35 174.92 1sa8 s LEU 13 N -1.21 -0.38 -0.25 2.77 0.20 -1.23 -2.85 118.68 115.74 1sa8 s LEU 13 Ca -0.03 0.75 -0.08 0.00 0.69 0.00 0.00 54.13 55.46 1sa8 s LEU 13 Cb -0.08 0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 46.61 1sa8 s LEU 13 CO 0.01 -0.23 0.09 -0.89 -0.29 0.00 0.00 176.35 175.04 1sa8 s THR 14 N 2.38 4.52 -0.29 3.68 2.01 -0.40 -0.25 115.64 127.29 1sa8 s THR 14 Ca -0.01 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1sa8 s THR 14 Cb -0.12 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.47 1sa8 s THR 14 CO -0.10 0.34 0.56 -0.63 -0.69 0.00 0.00 174.62 174.10 1sa8 s ILE 15 N 1.51 -0.93 -0.30 1.82 1.01 0.83 -0.67 121.20 124.46 1sa8 s ILE 15 Ca 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 1sa8 s ILE 15 Cb -0.15 -0.98 0.17 0.00 0.01 0.00 0.00 42.46 41.51 1sa8 s ILE 15 CO 0.05 -0.04 1.11 0.28 0.00 0.00 0.00 174.94 176.34 1sa8 s THR 16 N 2.79 -0.23 0.22 2.92 -1.32 -0.58 -3.20 115.64 116.24 1sa8 s THR 16 Ca 0.15 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.68 1sa8 s THR 16 Cb -0.13 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1sa8 s THR 16 CO -0.24 0.00 0.24 -1.58 -2.21 0.00 0.00 174.62 170.83 1sa8 s GLN 17 N 2.97 3.12 0.30 7.08 2.00 -1.15 -2.62 119.66 131.36 1sa8 s GLN 17 Ca -0.04 -0.88 0.03 0.00 -2.00 0.00 0.00 55.36 52.47 1sa8 s GLN 17 Cb -0.09 -2.72 0.60 0.00 0.80 0.00 0.00 33.01 31.60 1sa8 s GLN 17 CO -0.10 0.44 1.85 1.05 -0.50 0.00 0.00 175.29 178.03 1sa8 h GLU 18 N 1.67 0.92 0.00 1.67 -0.00 -1.90 -3.45 114.58 113.49 1sa8 h GLU 18 Ca -0.49 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 58.81 1sa8 h GLU 18 Cb 1.22 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 29.77 1sa8 h GLU 18 CO 0.62 0.61 0.00 0.41 -0.00 0.00 0.00 179.01 180.65 1sa8 n GLY 19 N -1.37 -0.79 2.80 1.06 0.00 -1.26 -5.06 105.19 100.57 1sa8 n GLY 19 Ca 0.18 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 1.10 -0.29 1.61 -0.87 -1.26 -4.78 114.94 108.45 1sa8 s ASN 20 Ca 0.00 -1.19 -0.16 0.00 -1.57 0.00 0.00 52.86 49.94 1sa8 s ASN 20 Cb 0.00 0.67 0.15 0.00 -0.02 0.00 0.00 41.25 42.04 1sa8 s ASN 20 CO 0.00 -0.30 0.98 -0.54 -2.57 0.00 0.00 177.10 174.67 1sa8 s LYS 21 N 1.82 0.37 -0.30 -0.60 1.02 -1.26 -4.76 119.74 116.02 1sa8 s LYS 21 Ca 0.14 0.65 0.03 0.00 0.02 0.00 0.00 55.97 56.81 1sa8 s LYS 21 Cb -0.14 0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.34 1sa8 s LYS 21 CO -0.14 -0.08 0.00 -0.06 -0.92 0.00 0.00 175.35 174.15 1sa8 s PHE 22 N 1.37 3.29 -0.30 3.18 0.40 0.13 -2.15 117.98 123.90 1sa8 s PHE 22 Ca -0.09 -2.57 -0.06 0.00 -0.60 0.00 0.00 56.93 53.61 1sa8 s PHE 22 Cb -0.04 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1sa8 s PHE 22 CO -0.15 -0.91 0.06 0.99 0.70 0.00 0.00 175.22 175.92 1sa8 s THR 23 N 1.08 3.70 -0.24 0.64 2.01 0.33 0.13 115.64 123.28 1sa8 s THR 23 Ca 0.04 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1sa8 s THR 23 Cb -0.19 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1sa8 s THR 23 CO -0.09 0.03 0.10 -0.69 -0.69 0.00 0.00 174.62 173.28 1sa8 s VAL 24 N 1.44 4.71 -0.38 3.82 1.01 0.12 -1.14 120.40 129.98 1sa8 s VAL 24 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1sa8 s VAL 24 Cb -0.18 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1sa8 s VAL 24 CO 0.01 0.34 0.25 -0.75 0.00 0.00 0.00 175.10 174.95 1sa8 s LYS 25 N 1.40 3.01 -0.03 2.72 2.20 0.15 0.36 119.74 129.55 1sa8 s LYS 25 Ca 0.06 -0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 54.68 1sa8 s LYS 25 Cb -0.15 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1sa8 s LYS 25 CO 0.05 -0.67 0.07 -2.00 -0.36 0.00 0.00 175.35 172.45 1sa8 s GLU 26 N 1.63 3.10 -0.22 4.03 2.56 0.11 -1.27 118.70 128.64 1sa8 s GLU 26 Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 54.97 54.41 1sa8 s GLU 26 Cb -0.19 -2.89 0.06 0.00 2.00 0.00 0.00 34.13 33.12 1sa8 s GLU 26 CO 0.09 0.67 0.56 -1.12 -0.56 0.00 0.00 175.26 174.90 1sa8 s SER 27 N -1.48 -0.64 -0.25 -1.70 0.01 -1.13 -0.70 113.70 107.81 1sa8 s SER 27 Ca 0.20 1.16 -0.18 0.00 1.31 0.00 0.00 55.95 58.44 1sa8 s SER 27 Cb -0.12 1.13 0.07 0.00 0.21 0.00 0.00 66.02 67.31 1sa8 s SER 27 CO 0.10 -0.20 0.64 -0.44 0.41 0.00 0.00 173.24 173.75 1sa8 s SER 28 N 0.75 -0.77 0.00 2.44 0.01 -0.95 -4.33 113.70 110.84 1sa8 s SER 28 Ca -0.04 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1sa8 s SER 28 Cb -0.05 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.47 1sa8 s SER 28 CO -0.05 -0.23 0.00 -3.20 0.41 0.00 0.00 173.24 170.17 1sa8 n ASN 29 N 3.55 0.00 -2.68 2.44 2.85 -1.26 -2.43 115.26 117.73 1sa8 n ASN 29 Ca -0.17 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.24 1sa8 n ASN 29 Cb 0.57 0.00 0.12 0.00 1.24 0.00 0.00 39.78 41.71 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1sa8 n PHE 30 N 0.00 -2.31 -3.83 1.20 7.35 -1.26 -5.09 117.46 113.52 1sa8 n PHE 30 Ca 0.00 -1.82 -0.12 0.00 -0.76 0.00 0.00 57.45 54.75 1sa8 n PHE 30 Cb 0.00 1.58 -0.10 0.00 0.35 0.00 0.00 39.48 41.31 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 0.18 0.45 -0.19 -4.13 1.70 -1.02 -5.15 118.95 110.79 1sa8 s ARG 31 Ca 0.18 -0.14 -0.08 0.00 -0.47 0.00 0.00 55.73 55.22 1sa8 s ARG 31 Cb 0.40 0.19 0.07 0.00 -0.57 0.00 0.00 34.95 35.05 1sa8 s ARG 31 CO -0.10 -0.10 0.42 0.54 -1.08 0.00 0.00 175.30 174.98 1sa8 s ASN 32 N -0.91 -0.40 -0.16 -2.89 2.20 -1.26 -2.24 114.94 109.29 1sa8 s ASN 32 Ca -0.10 0.95 -0.10 0.00 -0.94 0.00 0.00 52.86 52.68 1sa8 s ASN 32 Cb -0.05 1.05 0.05 0.00 -2.00 0.00 0.00 41.25 40.30 1sa8 s ASN 32 CO 0.02 -0.21 0.39 -0.51 -2.94 0.00 0.00 177.10 173.84 1sa8 s ILE 33 N 1.96 -0.02 -0.22 0.54 1.10 0.12 -4.97 121.20 119.71 1sa8 s ILE 33 Ca -0.06 0.08 -0.08 0.00 -0.51 0.00 0.00 60.65 60.08 1sa8 s ILE 33 Cb -0.10 -0.57 -0.04 0.00 0.15 0.00 0.00 42.46 41.90 1sa8 s ILE 33 CO -0.13 0.03 0.08 -1.81 -2.11 0.00 0.00 174.94 171.01 1sa8 s ASP 34 N 1.10 5.49 -0.29 4.50 1.11 -1.26 0.07 116.67 127.40 1sa8 s ASP 34 Ca -0.07 -0.04 -0.09 0.00 0.18 0.00 0.00 52.55 52.53 1sa8 s ASP 34 Cb -0.07 -1.97 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 1sa8 s ASP 34 CO -0.09 0.06 0.13 -0.69 1.18 0.00 0.00 175.17 175.76 1sa8 s VAL 35 N 1.04 4.55 -0.18 -1.27 1.01 0.16 -4.90 120.40 120.81 1sa8 s VAL 35 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1sa8 s VAL 35 Cb -0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1sa8 s VAL 35 CO 0.03 0.17 0.02 0.54 0.00 0.00 0.00 175.10 175.86 1sa8 s VAL 36 N 1.62 4.34 -0.01 2.92 0.11 -1.26 0.14 120.40 128.27 1sa8 s VAL 36 Ca 0.05 -0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 58.63 1sa8 s VAL 36 Cb -0.16 -2.95 0.07 0.00 -1.53 0.00 0.00 36.38 31.81 1sa8 s VAL 36 CO 0.06 0.46 0.64 0.72 -3.33 0.00 0.00 175.10 173.64 1sa8 s PHE 37 N 0.54 -0.60 0.25 1.54 -0.71 0.12 -4.96 117.98 114.16 1sa8 s PHE 37 Ca 0.01 0.92 0.08 0.00 -1.04 0.00 0.00 56.93 56.89 1sa8 s PHE 37 Cb -0.13 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 1sa8 s PHE 37 CO 0.02 -0.64 0.13 -1.21 -1.34 0.00 0.00 175.22 172.19 1sa8 s GLU 38 N -1.68 2.74 0.11 1.99 2.02 -1.26 0.21 118.70 122.83 1sa8 s GLU 38 Ca -0.09 -1.14 -0.31 0.00 0.02 0.00 0.00 54.97 53.45 1sa8 s GLU 38 Cb -0.00 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1sa8 s GLU 38 CO 0.05 0.40 1.54 -0.51 0.02 0.00 0.00 175.26 176.76 1sa8 s LEU 39 N -3.74 4.36 -0.06 1.80 1.02 -1.26 -2.90 118.68 117.90 1sa8 s LEU 39 Ca 0.32 2.47 -0.00 0.00 0.02 0.00 0.00 54.13 56.94 1sa8 s LEU 39 Cb -0.08 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.55 1sa8 s LEU 39 CO 0.23 -0.79 0.03 0.61 0.02 0.00 0.00 176.35 176.45 1sa8 n GLY 40 N 3.75 0.68 3.15 -3.19 0.00 0.15 -5.00 105.19 104.74 1sa8 n GLY 40 Ca 0.14 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.64 1.62 -0.12 1.61 1.01 -1.14 -4.95 120.40 115.78 1sa8 s VAL 41 Ca 0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1sa8 s VAL 41 Cb -0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1sa8 s VAL 41 CO 0.02 0.46 0.07 -0.62 0.00 0.00 0.00 175.10 175.03 1sa8 s ASP 42 N 0.21 5.78 -0.12 3.32 2.15 -1.26 -2.78 116.67 123.96 1sa8 s ASP 42 Ca -0.10 0.25 -0.22 0.00 0.43 0.00 0.00 52.55 52.92 1sa8 s ASP 42 Cb -0.14 -1.82 0.05 0.00 -0.30 0.00 0.00 42.92 40.71 1sa8 s ASP 42 CO 0.04 0.34 0.54 0.72 -0.17 0.00 0.00 175.17 176.64 1sa8 s PHE 43 N -0.61 -0.53 -0.14 -5.34 -0.12 -0.18 -4.94 117.98 106.12 1sa8 s PHE 43 Ca 0.11 1.11 -0.02 0.00 -0.05 0.00 0.00 56.93 58.09 1sa8 s PHE 43 Cb -0.12 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1sa8 s PHE 43 CO 0.02 -0.40 -0.09 0.00 -0.05 0.00 0.00 175.22 174.70 1sa8 s ALA 44 N -0.49 2.79 -0.01 1.99 0.00 -1.26 -1.03 121.76 123.76 1sa8 s ALA 44 Ca -0.06 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1sa8 s ALA 44 Cb -0.03 -1.35 0.09 0.00 0.00 0.00 0.00 23.12 21.82 1sa8 s ALA 44 CO 0.04 0.25 0.76 -0.47 0.00 0.00 0.00 175.76 176.34 1sa8 s TYR 45 N 0.31 -0.51 -0.22 0.00 5.04 -1.15 -4.99 117.35 115.82 1sa8 s TYR 45 Ca -0.07 0.64 -0.09 0.00 -2.44 0.00 0.00 57.07 55.10 1sa8 s TYR 45 Cb -0.15 0.48 -0.04 0.00 0.35 0.00 0.00 41.96 42.60 1sa8 s TYR 45 CO 0.04 -0.61 0.12 0.45 -1.34 0.00 0.00 175.55 174.21 1sa8 s SER 46 N -1.85 5.85 -0.15 4.32 0.15 -1.26 -1.66 113.70 119.10 1sa8 s SER 46 Ca -0.03 0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 1sa8 s SER 46 Cb -0.01 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1sa8 s SER 46 CO -0.02 0.08 -0.07 -0.76 1.20 0.00 0.00 173.24 173.67 1sa8 s LEU 47 N 0.94 3.03 -1.44 3.45 1.43 0.11 -4.62 118.68 121.58 1sa8 s LEU 47 Ca 0.06 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 1sa8 s LEU 47 Cb -0.13 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.42 1sa8 s LEU 47 CO 0.03 0.17 0.68 0.00 0.23 0.00 0.00 176.35 177.46 1sa8 n ALA 48 N 3.54 -1.09 -3.71 4.21 0.00 -1.26 -2.36 120.51 119.84 1sa8 n ALA 48 Ca -0.18 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1sa8 n ALA 48 Cb 0.53 -3.71 0.04 0.00 0.00 0.00 0.00 19.45 16.30 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 -2.53 -1.71 0.00 0.00 8.00 -1.26 -4.77 116.55 114.28 1sa8 n ASP 49 Ca -0.03 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1sa8 n ASP 49 Cb 0.57 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 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 -1.58 -1.69 3.70 0.44 0.00 -0.99 -5.11 105.19 99.96 1sa8 n GLY 50 Ca -0.25 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 2.80 -0.48 2.61 -4.23 -1.13 -4.77 115.64 110.44 1sa8 s THR 51 Ca 0.00 0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1sa8 s THR 51 Cb 0.00 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.69 1sa8 s THR 51 CO 0.00 0.02 0.25 -1.61 -0.54 0.00 0.00 174.62 172.74 1sa8 s GLU 52 N 1.90 2.06 -0.23 3.99 2.02 -1.26 0.05 118.70 127.23 1sa8 s GLU 52 Ca 0.72 -2.20 -0.08 0.00 0.02 0.00 0.00 54.97 53.44 1sa8 s GLU 52 Cb -0.42 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1sa8 s GLU 52 CO 0.32 -1.08 0.09 -0.51 0.02 0.00 0.00 175.26 174.09 1sa8 s LEU 53 N 0.46 3.66 -0.42 1.80 1.02 -0.67 -2.85 118.68 121.69 1sa8 s LEU 53 Ca 0.13 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.09 1sa8 s LEU 53 Cb -0.22 -1.97 0.06 0.00 0.02 0.00 0.00 46.19 44.08 1sa8 s LEU 53 CO -0.04 0.04 0.28 -0.89 0.02 0.00 0.00 176.35 175.76 1sa8 s THR 54 N 1.20 4.62 0.22 5.49 2.01 -0.09 -2.94 115.64 126.15 1sa8 s THR 54 Ca 0.05 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.69 1sa8 s THR 54 Cb -0.14 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1sa8 s THR 54 CO 0.04 -0.45 0.66 -0.83 -0.69 0.00 0.00 174.62 173.35 1sa8 s GLY 55 N 2.08 -0.33 0.04 4.40 0.00 -0.19 -0.04 107.32 113.27 1sa8 s GLY 55 Ca 0.03 0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.89 1sa8 s GLY 55 CO 0.05 0.01 -0.24 -1.08 0.00 0.00 0.00 173.10 171.84 1sa8 s THR 56 N -3.84 2.31 -0.02 0.90 -1.32 -0.67 -1.01 115.64 111.98 1sa8 s THR 56 Ca 0.06 -1.32 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 1sa8 s THR 56 Cb -0.04 -1.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.03 1sa8 s THR 56 CO -0.02 0.37 -0.20 0.86 -2.21 0.00 0.00 174.62 173.42 1sa8 s TRP 57 N -0.82 1.86 -0.05 9.09 -0.11 -1.12 -2.33 118.94 125.46 1sa8 s TRP 57 Ca 0.12 -0.41 -0.02 0.00 1.22 0.00 0.00 56.10 57.01 1sa8 s TRP 57 Cb -0.10 -1.21 0.03 0.00 -1.50 0.00 0.00 33.47 30.69 1sa8 s TRP 57 CO 0.03 -0.07 0.11 0.95 -4.62 0.00 0.00 176.95 173.34 1sa8 s THR 58 N -0.35 -0.04 -0.31 5.86 -4.23 -1.11 0.31 115.64 115.78 1sa8 s THR 58 Ca 0.04 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1sa8 s THR 58 Cb -0.09 -0.18 -0.00 0.00 1.34 0.00 0.00 72.50 73.57 1sa8 s THR 58 CO 0.00 0.06 0.14 -0.32 -0.54 0.00 0.00 174.62 173.97 1sa8 s MET 59 N 0.93 3.29 -0.44 3.99 1.75 -1.26 -2.46 119.30 125.09 1sa8 s MET 59 Ca -0.07 -0.75 -0.12 0.00 -1.25 0.00 0.00 55.69 53.50 1sa8 s MET 59 Cb -0.10 -3.53 0.08 0.00 2.84 0.00 0.00 34.83 34.12 1sa8 s MET 59 CO -0.04 -0.42 0.32 -1.21 -0.65 0.00 0.00 175.02 173.02 1sa8 s GLU 60 N 1.59 2.74 7.97 4.11 2.02 0.22 -4.90 118.70 132.46 1sa8 s GLU 60 Ca 0.04 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1sa8 s GLU 60 Cb -0.17 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.13 1sa8 s GLU 60 CO 0.06 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1sa8 n GLY 61 N 5.03 3.72 1.87 -1.39 0.00 -1.26 -0.91 105.19 112.24 1sa8 n GLY 61 Ca -0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1sa8 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sa8 n ASN 62 N 8.85 4.93 -4.26 1.61 0.23 -1.26 -4.95 115.26 120.40 1sa8 n ASN 62 Ca 0.00 -3.77 -0.31 0.00 -0.53 0.00 0.00 54.58 49.97 1sa8 n ASN 62 Cb 0.00 -0.65 -0.16 0.00 -2.08 0.00 0.00 39.78 36.89 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sa8 s LYS 63 N -3.55 2.43 -0.28 -3.83 3.01 -0.09 -0.56 119.74 116.87 1sa8 s LYS 63 Ca 0.54 -0.88 -0.02 0.00 -1.01 0.00 0.00 55.97 54.59 1sa8 s LYS 63 Cb 0.44 -2.09 0.04 0.00 -1.01 0.00 0.00 37.83 35.21 1sa8 s LYS 63 CO 0.02 0.39 -0.02 -0.51 0.51 0.00 0.00 175.35 175.74 1sa8 s LEU 64 N -0.20 3.67 -0.03 3.17 1.43 0.45 -0.61 118.68 126.56 1sa8 s LEU 64 Ca -0.02 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.95 1sa8 s LEU 64 Cb -0.13 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1sa8 s LEU 64 CO 0.03 -0.22 0.06 -0.69 0.23 0.00 0.00 176.35 175.77 1sa8 s VAL 65 N 1.29 -0.03 0.00 -1.59 1.01 -1.03 -1.32 120.40 118.73 1sa8 s VAL 65 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1sa8 s VAL 65 Cb -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1sa8 s VAL 65 CO -0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1sa8 n GLY 66 N 3.68 3.02 3.64 4.51 0.00 -1.26 -2.75 105.19 116.04 1sa8 n GLY 66 Ca -0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 2.49 0.53 0.01 1.61 2.20 -0.98 -4.82 119.74 120.76 1sa8 s LYS 67 Ca 0.00 0.87 0.04 0.00 -0.36 0.00 0.00 55.97 56.52 1sa8 s LYS 67 Cb 0.00 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1sa8 s LYS 67 CO 0.00 -0.10 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.71 1sa8 s PHE 68 N 1.31 1.02 -0.35 4.03 0.40 -1.08 -1.67 117.98 121.63 1sa8 s PHE 68 Ca -0.08 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 1sa8 s PHE 68 Cb -0.04 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.86 1sa8 s PHE 68 CO -0.15 -0.01 0.19 0.21 0.70 0.00 0.00 175.22 176.16 1sa8 s LYS 69 N -0.53 3.02 -1.18 0.44 2.20 0.94 0.21 119.74 124.83 1sa8 s LYS 69 Ca 0.03 -0.94 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 1sa8 s LYS 69 Cb -0.05 -3.68 0.24 0.00 -1.51 0.00 0.00 37.83 32.82 1sa8 s LYS 69 CO 0.00 -0.60 1.74 -2.13 -0.36 0.00 0.00 175.35 174.00 1sa8 n ARG 70 N 5.00 4.18 0.28 4.03 0.00 -1.18 -0.91 116.66 128.06 1sa8 n ARG 70 Ca -0.12 -4.04 0.14 0.00 -0.00 0.00 0.00 57.85 53.83 1sa8 n ARG 70 Cb 0.47 -2.70 0.80 0.00 0.00 0.00 0.00 32.46 31.03 1sa8 n ARG 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1sa8 h VAL 71 N 3.43 0.51 -1.04 5.15 3.04 -1.71 0.26 116.25 125.89 1sa8 h VAL 71 Ca 0.34 -0.38 0.27 0.00 -1.01 0.00 0.00 66.70 65.92 1sa8 h VAL 71 Cb 0.58 1.25 -0.08 0.00 -2.01 0.00 0.00 31.29 31.03 1sa8 h VAL 71 CO 1.47 0.08 0.68 -0.78 -1.01 0.00 0.00 177.57 178.01 1sa8 h ASP 72 N 0.00 0.38 0.00 3.17 3.58 -1.86 -3.33 116.42 118.36 1sa8 h ASP 72 Ca -0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1sa8 h ASP 72 Cb 0.25 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1sa8 h ASP 72 CO 0.01 0.08 -0.46 -3.20 -2.88 0.00 0.00 179.24 172.79 1sa8 n ASN 73 N -4.56 1.64 0.00 2.28 5.15 -1.00 -5.03 115.26 113.75 1sa8 n ASN 73 Ca 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1sa8 n ASN 73 Cb 0.91 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 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 2.40 2.47 0.00 8.20 0.00 0.89 -5.11 105.19 114.03 1sa8 n GLY 74 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.12 -4.30 118.16 115.49 1sa8 n LYS 75 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1sa8 n LYS 75 Cb 0.00 -0.21 -0.11 0.00 0.02 0.00 0.00 35.03 34.73 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 0.28 -0.18 1.64 2.02 -1.26 -3.08 118.70 117.13 1sa8 s GLU 76 Ca 0.00 0.86 -0.01 0.00 0.02 0.00 0.00 54.97 55.84 1sa8 s GLU 76 Cb 0.00 0.11 0.05 0.00 0.10 0.00 0.00 34.13 34.39 1sa8 s GLU 76 CO 0.00 -0.23 -0.02 -1.17 0.02 0.00 0.00 175.26 173.86 1sa8 s LEU 77 N 2.14 1.57 -0.09 1.80 2.96 0.13 -0.42 118.68 126.78 1sa8 s LEU 77 Ca -0.04 -0.76 0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1sa8 s LEU 77 Cb -0.11 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 1sa8 s LEU 77 CO -0.11 -0.23 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.83 1sa8 s ILE 78 N 1.69 2.19 -0.19 6.68 1.01 0.16 -2.64 121.20 130.10 1sa8 s ILE 78 Ca -0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1sa8 s ILE 78 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1sa8 s ILE 78 CO -0.07 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.47 1sa8 s ALA 79 N 0.13 3.28 -0.05 9.38 0.00 -1.25 0.66 121.76 133.91 1sa8 s ALA 79 Ca -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1sa8 s ALA 79 Cb -0.16 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1sa8 s ALA 79 CO 0.07 0.10 0.08 0.08 0.00 0.00 0.00 175.76 176.08 1sa8 s VAL 80 N 0.53 -0.13 -0.07 0.00 1.01 -0.96 -4.10 120.40 116.67 1sa8 s VAL 80 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1sa8 s VAL 80 Cb -0.13 -0.17 0.11 0.00 0.00 0.00 0.00 36.38 36.18 1sa8 s VAL 80 CO 0.01 0.15 0.91 -0.60 0.00 0.00 0.00 175.10 175.58 1sa8 s ARG 81 N 1.97 0.75 0.22 2.72 6.06 -0.43 -4.00 118.95 126.23 1sa8 s ARG 81 Ca 0.02 -0.06 0.06 0.00 -2.50 0.00 0.00 55.73 53.25 1sa8 s ARG 81 Cb -0.12 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.20 1sa8 s ARG 81 CO -0.04 -0.28 0.21 -1.83 -2.50 0.00 0.00 175.30 170.86 1sa8 s GLU 82 N -2.08 3.03 -0.29 5.12 -1.05 -1.26 -0.41 118.70 121.75 1sa8 s GLU 82 Ca 0.01 -0.93 -0.10 0.00 -0.15 0.00 0.00 54.97 53.80 1sa8 s GLU 82 Cb -0.01 -2.66 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 1sa8 s GLU 82 CO -0.03 0.44 0.16 0.42 0.95 0.00 0.00 175.26 177.20 1sa8 s ILE 83 N -1.98 4.89 -0.24 1.83 -1.09 0.28 -4.59 121.20 120.30 1sa8 s ILE 83 Ca 0.33 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.55 1sa8 s ILE 83 Cb -0.09 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1sa8 s ILE 83 CO 0.25 0.19 0.10 -0.44 -1.23 0.00 0.00 174.94 173.82 1sa8 s SER 84 N 1.68 5.51 1.74 3.58 0.01 -1.25 -4.92 113.70 120.06 1sa8 s SER 84 Ca 0.06 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1sa8 s SER 84 Cb -0.16 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1sa8 s SER 84 CO 0.08 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1sa8 n GLY 85 N 4.61 4.11 2.75 3.44 0.00 -1.26 -2.69 105.19 116.15 1sa8 n GLY 85 Ca -0.16 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 3.98 -0.14 1.61 -0.87 -1.26 -5.06 114.94 109.20 1sa8 s ASN 86 Ca 0.00 -2.03 -0.30 0.00 -1.57 0.00 0.00 52.86 48.96 1sa8 s ASN 86 Cb 0.00 -1.00 0.12 0.00 -0.02 0.00 0.00 41.25 40.35 1sa8 s ASN 86 CO 0.00 -0.36 0.98 -1.83 -2.57 0.00 0.00 177.10 173.31 1sa8 s GLU 87 N 1.11 0.63 -0.08 -0.60 -1.05 -1.10 -3.81 118.70 113.81 1sa8 s GLU 87 Ca 0.13 0.09 0.02 0.00 -0.15 0.00 0.00 54.97 55.05 1sa8 s GLU 87 Cb -0.20 0.30 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1sa8 s GLU 87 CO -0.14 -0.21 -0.11 -1.17 0.95 0.00 0.00 175.26 174.57 1sa8 s LEU 88 N -1.30 1.55 0.02 1.83 2.96 -0.15 -3.79 118.68 119.81 1sa8 s LEU 88 Ca -0.01 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1sa8 s LEU 88 Cb -0.01 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1sa8 s LEU 88 CO 0.01 -0.00 0.08 -0.63 -1.32 0.00 0.00 176.35 174.49 1sa8 s ILE 89 N 0.93 4.69 -0.08 6.68 1.01 -1.26 -0.04 121.20 133.13 1sa8 s ILE 89 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1sa8 s ILE 89 Cb -0.15 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1sa8 s ILE 89 CO 0.00 0.28 -0.08 -1.58 0.00 0.00 0.00 174.94 173.57 1sa8 s GLN 90 N -1.94 1.36 -0.18 2.79 2.00 0.63 -4.77 119.66 119.56 1sa8 s GLN 90 Ca 0.25 -0.24 -0.02 0.00 -2.00 0.00 0.00 55.36 53.35 1sa8 s GLN 90 Cb -0.12 -1.34 -0.01 0.00 0.80 0.00 0.00 33.01 32.34 1sa8 s GLN 90 CO 0.17 -0.15 -0.08 0.99 -0.50 0.00 0.00 175.29 175.72 1sa8 s THR 91 N 1.28 3.28 -0.39 -0.34 2.01 -1.26 -0.73 115.64 119.49 1sa8 s THR 91 Ca -0.04 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1sa8 s THR 91 Cb -0.14 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 69.96 1sa8 s THR 91 CO -0.03 0.47 0.23 -0.31 -0.69 0.00 0.00 174.62 174.30 1sa8 s TYR 92 N 0.94 3.25 -0.43 4.92 1.51 0.13 -2.27 117.35 125.41 1sa8 s TYR 92 Ca -0.01 -0.98 -0.13 0.00 -1.01 0.00 0.00 57.07 54.94 1sa8 s TYR 92 Cb -0.15 -2.54 0.06 0.00 -0.11 0.00 0.00 41.96 39.22 1sa8 s TYR 92 CO 0.00 -0.67 0.31 0.99 -1.11 0.00 0.00 175.55 175.07 1sa8 s THR 93 N 1.56 4.89 -0.24 -0.71 2.01 0.21 -0.92 115.64 122.45 1sa8 s THR 93 Ca 0.02 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1sa8 s THR 93 Cb -0.20 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1sa8 s THR 93 CO 0.07 -0.45 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.05 1sa8 s TYR 94 N 1.58 3.01 0.00 4.92 5.04 0.25 0.40 117.35 132.55 1sa8 s TYR 94 Ca 0.04 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 1sa8 s TYR 94 Cb -0.22 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 39.97 1sa8 s TYR 94 CO 0.06 -0.60 0.00 0.39 -1.34 0.00 0.00 175.55 174.06 1sa8 n GLU 95 N 4.78 0.00 -1.17 4.97 -0.58 0.44 -2.14 120.64 126.94 1sa8 n GLU 95 Ca -0.17 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.54 1sa8 n GLU 95 Cb 0.49 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.36 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sa8 n GLY 96 N 0.00 0.16 2.88 0.62 0.00 -1.26 -5.00 105.19 102.59 1sa8 n GLY 96 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.02 -0.03 -0.15 1.61 -7.23 -0.91 -5.15 120.40 108.56 1sa8 s VAL 97 Ca 0.01 0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.27 1sa8 s VAL 97 Cb 0.07 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.86 1sa8 s VAL 97 CO -0.02 0.05 -0.04 -1.83 -0.31 0.00 0.00 175.10 172.95 1sa8 s GLU 98 N 0.67 3.63 -0.15 4.82 -1.05 -1.26 -0.59 118.70 124.77 1sa8 s GLU 98 Ca -0.05 -0.52 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 1sa8 s GLU 98 Cb -0.07 -2.90 0.02 0.00 -0.44 0.00 0.00 34.13 30.74 1sa8 s GLU 98 CO -0.03 0.27 -0.17 0.00 0.95 0.00 0.00 175.26 176.28 1sa8 s ALA 99 N 0.29 2.04 0.05 -0.84 0.00 -0.09 -4.92 121.76 118.29 1sa8 s ALA 99 Ca -0.03 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1sa8 s ALA 99 Cb -0.14 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1sa8 s ALA 99 CO 0.03 -0.29 -0.12 -1.59 0.00 0.00 0.00 175.76 173.78 1sa8 s LYS 100 N 1.28 2.22 -0.01 0.00 -2.85 -1.26 0.23 119.74 119.35 1sa8 s LYS 100 Ca 0.02 -0.92 -0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1sa8 s LYS 100 Cb -0.13 -2.31 0.01 0.00 -2.06 0.00 0.00 37.83 33.33 1sa8 s LYS 100 CO -0.09 0.55 0.03 0.50 0.10 0.00 0.00 175.35 176.44 1sa8 s ARG 101 N -1.67 0.03 -0.15 1.78 3.52 0.09 -4.95 118.95 117.60 1sa8 s ARG 101 Ca 0.17 0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.77 1sa8 s ARG 101 Cb -0.11 -0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 1sa8 s ARG 101 CO 0.08 -0.02 0.08 0.42 -0.81 0.00 0.00 175.30 175.06 1sa8 s ILE 102 N 0.10 4.97 0.11 4.11 1.09 -1.26 -0.27 121.20 130.05 1sa8 s ILE 102 Ca -0.01 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1sa8 s ILE 102 Cb -0.01 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 38.15 1sa8 s ILE 102 CO -0.00 0.53 -0.03 -0.36 -0.10 0.00 0.00 174.94 174.98 1sa8 s PHE 103 N -0.26 0.87 0.15 3.97 0.08 0.94 -4.95 117.98 118.78 1sa8 s PHE 103 Ca 0.09 -1.02 0.06 0.00 0.12 0.00 0.00 56.93 56.18 1sa8 s PHE 103 Cb -0.12 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1sa8 s PHE 103 CO 0.01 -0.27 -0.14 -1.59 -0.10 0.00 0.00 175.22 173.14 1sa8 s LYS 104 N -3.90 1.11 0.35 0.44 0.00 -1.26 -0.98 119.74 115.51 1sa8 s LYS 104 Ca 0.15 -1.36 -0.27 0.00 0.00 0.00 0.00 55.97 54.49 1sa8 s LYS 104 Cb 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 37.83 36.86 1sa8 s LYS 104 CO -0.03 0.17 1.20 0.21 0.00 0.00 0.00 175.35 176.90 1sa8 s LYS 105 N -3.05 4.27 0.00 1.78 2.20 -1.25 -1.12 119.74 122.57 1sa8 s LYS 105 Ca 0.13 1.95 0.19 0.00 -0.36 0.00 0.00 55.97 57.88 1sa8 s LYS 105 Cb -0.03 -2.91 1.12 0.00 -1.51 0.00 0.00 37.83 34.50 1sa8 s LYS 105 CO 0.04 -0.17 1.51 -1.91 -0.36 0.00 0.00 175.35 174.46