#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 -3.08 0.00 3.01 -1.26 -4.97 117.46 111.16 1sa8 n PHE 2 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1sa8 n PHE 2 Cb 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.53 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 -5.44 -3.68 4.37 2.03 0.73 -5.01 116.55 109.55 1sa8 n ASP 3 Ca 0.00 -0.61 -0.06 0.00 0.52 0.00 0.00 54.79 54.64 1sa8 n ASP 3 Cb 0.00 -4.64 -0.02 0.00 -0.72 0.00 0.00 41.12 35.74 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 -3.48 -0.30 -0.21 0.27 0.00 -1.08 -5.01 107.32 97.51 1sa8 s GLY 4 Ca 0.34 0.31 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 1sa8 s GLY 4 CO 0.65 0.08 0.12 -0.51 0.00 0.00 0.00 173.10 173.44 1sa8 s THR 5 N -3.34 5.19 -0.29 0.90 -4.23 -1.26 -1.90 115.64 110.71 1sa8 s THR 5 Ca 0.10 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1sa8 s THR 5 Cb -0.02 -3.38 0.09 0.00 1.34 0.00 0.00 72.50 70.53 1sa8 s THR 5 CO -0.01 0.41 0.08 0.26 -0.54 0.00 0.00 174.62 174.82 1sa8 s TRP 6 N 0.67 1.64 0.13 3.99 0.52 0.42 0.72 118.94 127.03 1sa8 s TRP 6 Ca 0.06 -1.60 -0.25 0.00 0.02 0.00 0.00 56.10 54.33 1sa8 s TRP 6 Cb -0.12 -1.60 0.07 0.00 -1.15 0.00 0.00 33.47 30.67 1sa8 s TRP 6 CO 0.01 -0.83 1.02 0.21 0.02 0.00 0.00 176.95 177.38 1sa8 s LYS 7 N 1.64 1.09 0.01 4.98 2.47 0.11 -4.17 119.74 125.87 1sa8 s LYS 7 Ca 0.07 -0.62 -0.03 0.00 -1.56 0.00 0.00 55.97 53.83 1sa8 s LYS 7 Cb -0.17 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.52 1sa8 s LYS 7 CO -0.21 -0.50 0.21 0.08 0.16 0.00 0.00 175.35 175.08 1sa8 s VAL 8 N -3.03 5.39 0.25 4.02 1.01 -1.26 -4.13 120.40 122.65 1sa8 s VAL 8 Ca 0.14 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 1sa8 s VAL 8 Cb -0.01 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 1sa8 s VAL 8 CO 0.02 0.30 0.77 0.61 0.00 0.00 0.00 175.10 176.80 1sa8 n GLY 9 N 0.86 -0.98 0.84 4.51 0.00 -1.26 -1.26 105.19 107.91 1sa8 n GLY 9 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.59 2.70 3.88 -0.02 0.00 -1.26 -4.99 105.19 107.10 1sa8 n GLY 10 Ca 0.14 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 3.66 -0.06 0.99 1.43 -0.39 -4.95 118.68 119.36 1sa8 s LEU 11 Ca 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1sa8 s LEU 11 Cb 0.00 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1sa8 s LEU 11 CO 0.00 -0.40 0.22 -1.59 0.23 0.00 0.00 176.35 174.80 1sa8 s LYS 12 N -4.05 0.35 -0.01 1.70 -2.85 -1.22 -4.37 119.74 109.30 1sa8 s LYS 12 Ca 0.43 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 1sa8 s LYS 12 Cb -0.06 0.16 0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1sa8 s LYS 12 CO 0.28 -0.06 0.01 -1.17 0.10 0.00 0.00 175.35 174.50 1sa8 s LEU 13 N -0.35 1.56 -0.07 2.77 0.20 -1.25 -2.43 118.68 119.11 1sa8 s LEU 13 Ca -0.05 0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.78 1sa8 s LEU 13 Cb -0.03 -0.05 0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1sa8 s LEU 13 CO 0.01 -0.06 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.11 1sa8 s THR 14 N 0.51 0.44 -0.28 3.68 2.01 -0.94 -0.44 115.64 120.63 1sa8 s THR 14 Ca -0.04 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1sa8 s THR 14 Cb -0.06 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1sa8 s THR 14 CO -0.01 0.26 0.03 -0.63 -0.69 0.00 0.00 174.62 173.57 1sa8 s ILE 15 N 1.71 3.58 0.04 1.82 1.01 -0.80 0.11 121.20 128.67 1sa8 s ILE 15 Ca 0.01 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1sa8 s ILE 15 Cb -0.13 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1sa8 s ILE 15 CO -0.04 0.13 -0.23 -0.89 0.00 0.00 0.00 174.94 173.91 1sa8 s THR 16 N 1.44 1.83 -0.04 2.92 2.01 -0.45 -0.19 115.64 123.15 1sa8 s THR 16 Ca 0.02 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.80 1sa8 s THR 16 Cb -0.17 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1sa8 s THR 16 CO -0.00 0.28 -0.11 0.00 -0.69 0.00 0.00 174.62 174.10 1sa8 s GLN 17 N -1.15 1.33 -0.84 4.92 0.00 -1.25 -0.62 119.66 122.04 1sa8 s GLN 17 Ca 0.09 -0.36 -0.09 0.00 -0.00 0.00 0.00 55.36 55.00 1sa8 s GLN 17 Cb -0.09 -1.17 0.22 0.00 0.00 0.00 0.00 33.01 31.97 1sa8 s GLN 17 CO 0.02 0.08 0.76 -1.83 0.00 0.00 0.00 175.29 174.31 1sa8 s GLU 18 N 0.43 3.43 4.73 9.60 -1.05 -0.94 -4.88 118.70 130.03 1sa8 s GLU 18 Ca -0.09 -2.73 0.00 0.00 -0.15 0.00 0.00 54.97 52.01 1sa8 s GLU 18 Cb -0.12 -4.23 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 1sa8 s GLU 18 CO 0.02 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.39 1sa8 n GLY 19 N 3.41 1.60 2.84 -3.83 0.00 -1.26 -3.59 105.19 104.36 1sa8 n GLY 19 Ca 0.15 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 4.13 -0.30 1.61 -0.87 -1.26 -4.97 114.94 109.28 1sa8 s ASN 20 Ca 0.00 -2.40 -0.08 0.00 -1.57 0.00 0.00 52.86 48.81 1sa8 s ASN 20 Cb 0.00 -1.27 0.18 0.00 -0.02 0.00 0.00 41.25 40.15 1sa8 s ASN 20 CO 0.00 -0.32 0.90 -0.54 -2.57 0.00 0.00 177.10 174.58 1sa8 s LYS 21 N 0.60 0.30 -0.19 -0.60 1.02 -1.24 -4.49 119.74 115.15 1sa8 s LYS 21 Ca 0.14 0.44 -0.08 0.00 0.02 0.00 0.00 55.97 56.49 1sa8 s LYS 21 Cb -0.22 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1sa8 s LYS 21 CO -0.07 -0.41 0.07 -0.06 -0.92 0.00 0.00 175.35 173.96 1sa8 s PHE 22 N 2.92 3.24 -0.13 3.18 0.40 0.41 -2.21 117.98 125.79 1sa8 s PHE 22 Ca 0.11 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1sa8 s PHE 22 Cb -0.09 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 1sa8 s PHE 22 CO -0.18 0.11 -0.15 -0.08 0.70 0.00 0.00 175.22 175.62 1sa8 s THR 23 N 0.49 2.82 -0.22 0.64 -1.32 0.21 -0.39 115.64 117.88 1sa8 s THR 23 Ca 0.03 -0.74 -0.08 0.00 -1.21 0.00 0.00 61.69 59.69 1sa8 s THR 23 Cb -0.13 -2.17 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 1sa8 s THR 23 CO 0.01 0.53 0.08 -0.69 -2.21 0.00 0.00 174.62 172.34 1sa8 s VAL 24 N 0.38 4.67 -0.40 5.08 1.01 0.19 -1.34 120.40 129.98 1sa8 s VAL 24 Ca -0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 1sa8 s VAL 24 Cb -0.16 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1sa8 s VAL 24 CO 0.06 0.39 0.29 -0.75 0.00 0.00 0.00 175.10 175.08 1sa8 s LYS 25 N 1.03 2.99 -0.13 2.72 2.20 0.12 0.32 119.74 128.99 1sa8 s LYS 25 Ca 0.05 -1.00 -0.05 0.00 -0.36 0.00 0.00 55.97 54.60 1sa8 s LYS 25 Cb -0.14 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1sa8 s LYS 25 CO 0.03 -0.72 0.06 -1.21 -0.36 0.00 0.00 175.35 173.15 1sa8 s GLU 26 N 1.67 3.45 -0.19 4.03 0.41 0.40 -2.23 118.70 126.25 1sa8 s GLU 26 Ca 0.05 -0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.27 1sa8 s GLU 26 Cb -0.19 -3.06 0.09 0.00 -1.78 0.00 0.00 34.13 29.19 1sa8 s GLU 26 CO 0.10 0.59 0.21 -1.12 -0.49 0.00 0.00 175.26 174.55 1sa8 s SER 27 N -0.52 1.37 0.00 -0.19 0.01 -1.02 -0.50 113.70 112.85 1sa8 s SER 27 Ca 0.10 -0.20 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 1sa8 s SER 27 Cb -0.12 0.35 0.06 0.00 0.21 0.00 0.00 66.02 66.52 1sa8 s SER 27 CO 0.02 -0.32 0.62 -0.44 0.41 0.00 0.00 173.24 173.53 1sa8 s SER 28 N 2.32 -0.58 0.00 2.44 0.01 -0.67 -3.39 113.70 113.82 1sa8 s SER 28 Ca 0.06 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1sa8 s SER 28 Cb -0.15 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1sa8 s SER 28 CO -0.11 -0.68 0.00 0.59 0.41 0.00 0.00 173.24 173.45 1sa8 n ASN 29 N 0.64 0.00 -2.58 2.44 5.03 -1.26 -1.55 115.26 117.98 1sa8 n ASN 29 Ca -0.19 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.22 1sa8 n ASN 29 Cb 0.59 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.41 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 -1.51 -3.86 3.10 7.35 -1.26 -5.14 117.46 116.13 1sa8 n PHE 30 Ca 0.00 -1.33 -0.11 0.00 -0.76 0.00 0.00 57.45 55.25 1sa8 n PHE 30 Cb 0.00 1.37 -0.10 0.00 0.35 0.00 0.00 39.48 41.10 1sa8 n PHE 30 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1sa8 s ARG 31 N 0.12 0.45 -0.15 -4.13 6.06 -0.59 -5.14 118.95 115.56 1sa8 s ARG 31 Ca 0.12 -0.33 -0.04 0.00 -2.50 0.00 0.00 55.73 52.98 1sa8 s ARG 31 Cb 0.26 0.19 0.07 0.00 0.06 0.00 0.00 34.95 35.53 1sa8 s ARG 31 CO -0.06 -0.11 0.22 0.54 -2.50 0.00 0.00 175.30 173.39 1sa8 s ASN 32 N -1.22 0.87 -0.18 -2.12 2.20 -1.26 -1.67 114.94 111.56 1sa8 s ASN 32 Ca -0.13 0.19 -0.14 0.00 -0.94 0.00 0.00 52.86 51.84 1sa8 s ASN 32 Cb -0.07 0.47 0.05 0.00 -2.00 0.00 0.00 41.25 39.70 1sa8 s ASN 32 CO 0.01 -0.28 0.45 -0.51 -2.94 0.00 0.00 177.10 173.84 1sa8 s ILE 33 N 2.35 -0.01 -0.12 0.54 -1.16 0.34 -5.00 121.20 118.15 1sa8 s ILE 33 Ca 0.04 0.03 -0.05 0.00 -0.51 0.00 0.00 60.65 60.16 1sa8 s ILE 33 Cb -0.14 -0.65 -0.04 0.00 0.61 0.00 0.00 42.46 42.25 1sa8 s ILE 33 CO -0.09 0.01 0.06 -1.81 -2.81 0.00 0.00 174.94 170.30 1sa8 s ASP 34 N 0.66 5.69 -0.24 4.50 1.11 -1.26 -0.45 116.67 126.68 1sa8 s ASP 34 Ca -0.03 0.23 -0.03 0.00 0.18 0.00 0.00 52.55 52.90 1sa8 s ASP 34 Cb -0.05 -1.78 0.02 0.00 1.07 0.00 0.00 42.92 42.18 1sa8 s ASP 34 CO -0.04 0.34 -0.05 -0.69 1.18 0.00 0.00 175.17 175.90 1sa8 s VAL 35 N -0.63 3.05 -0.10 -1.27 1.01 0.15 -4.92 120.40 117.69 1sa8 s VAL 35 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1sa8 s VAL 35 Cb -0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1sa8 s VAL 35 CO 0.02 0.27 -0.01 0.54 0.00 0.00 0.00 175.10 175.92 1sa8 s VAL 36 N 1.38 4.20 -0.10 2.92 0.11 -1.26 0.54 120.40 128.19 1sa8 s VAL 36 Ca 0.02 -0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 1sa8 s VAL 36 Cb -0.16 -2.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.95 1sa8 s VAL 36 CO -0.04 0.58 0.36 0.72 -3.33 0.00 0.00 175.10 173.39 1sa8 s PHE 37 N -0.62 -0.34 -0.07 1.54 -0.12 0.48 -4.97 117.98 113.89 1sa8 s PHE 37 Ca 0.10 0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 57.70 1sa8 s PHE 37 Cb -0.12 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1sa8 s PHE 37 CO 0.02 -0.27 0.08 -2.00 -0.05 0.00 0.00 175.22 173.00 1sa8 s GLU 38 N -0.34 3.17 0.05 1.99 2.12 -1.26 -0.45 118.70 123.98 1sa8 s GLU 38 Ca -0.05 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.63 1sa8 s GLU 38 Cb -0.03 -2.95 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 1sa8 s GLU 38 CO 0.02 0.71 1.92 1.28 -0.54 0.00 0.00 175.26 178.65 1sa8 n LEU 39 N 1.73 4.04 -0.66 2.70 4.32 -1.26 -1.82 117.00 126.05 1sa8 n LEU 39 Ca -0.17 0.94 -0.06 0.00 -0.02 0.00 0.00 56.01 56.70 1sa8 n LEU 39 Cb 0.54 -1.51 -0.00 0.00 -1.62 0.00 0.00 43.42 40.82 1sa8 n LEU 39 CO 0.33 0.16 -0.07 0.61 -1.22 0.00 0.00 177.39 177.20 1sa8 n GLY 40 N 4.43 0.14 3.32 -0.72 0.00 0.14 -4.99 105.19 107.51 1sa8 n GLY 40 Ca 0.20 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.29 2.21 -0.08 1.61 1.01 -0.75 -4.93 120.40 117.17 1sa8 s VAL 41 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1sa8 s VAL 41 Cb -0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1sa8 s VAL 41 CO 0.00 0.58 0.06 1.51 0.00 0.00 0.00 175.10 177.25 1sa8 s ASP 42 N -0.43 5.67 -0.09 3.32 -4.77 -1.26 -2.42 116.67 116.68 1sa8 s ASP 42 Ca 0.04 0.24 -0.30 0.00 -3.30 0.00 0.00 52.55 49.23 1sa8 s ASP 42 Cb -0.12 -1.68 0.09 0.00 -1.09 0.00 0.00 42.92 40.13 1sa8 s ASP 42 CO 0.01 0.37 0.81 0.72 0.70 0.00 0.00 175.17 177.78 1sa8 s PHE 43 N -0.99 -0.53 -0.13 2.11 -0.12 -0.08 -4.92 117.98 113.32 1sa8 s PHE 43 Ca 0.16 0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 57.88 1sa8 s PHE 43 Cb -0.12 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1sa8 s PHE 43 CO 0.05 -0.50 0.05 0.00 -0.05 0.00 0.00 175.22 174.77 1sa8 s ALA 44 N -1.24 3.43 -0.05 1.99 0.00 -1.26 -1.08 121.76 123.54 1sa8 s ALA 44 Ca -0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1sa8 s ALA 44 Cb -0.00 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.46 1sa8 s ALA 44 CO 0.06 0.44 0.66 -0.47 0.00 0.00 0.00 175.76 176.46 1sa8 s TYR 45 N -0.45 -0.64 -0.22 0.00 5.04 -0.78 -4.98 117.35 115.33 1sa8 s TYR 45 Ca 0.09 1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 55.75 1sa8 s TYR 45 Cb -0.12 0.39 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 1sa8 s TYR 45 CO 0.02 -0.59 0.11 0.45 -1.34 0.00 0.00 175.55 174.20 1sa8 s SER 46 N -1.15 5.80 -0.16 4.32 0.15 -1.26 -1.33 113.70 120.07 1sa8 s SER 46 Ca -0.11 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 1sa8 s SER 46 Cb -0.00 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 1sa8 s SER 46 CO 0.09 0.09 -0.02 -0.76 1.20 0.00 0.00 173.24 173.85 1sa8 s LEU 47 N 0.87 3.32 -1.18 3.45 1.43 0.11 -4.57 118.68 122.10 1sa8 s LEU 47 Ca 0.06 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1sa8 s LEU 47 Cb -0.13 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1sa8 s LEU 47 CO 0.03 0.16 0.20 0.00 0.23 0.00 0.00 176.35 176.97 1sa8 n ALA 48 N 3.57 -0.88 -3.91 4.21 0.00 -1.26 -1.89 120.51 120.35 1sa8 n ALA 48 Ca -0.17 0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1sa8 n ALA 48 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.02 -1.64 0.03 0.00 9.92 -1.26 -4.74 116.55 116.84 1sa8 n ASP 49 Ca -0.11 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 1sa8 n ASP 49 Cb 0.59 -3.42 0.00 0.00 -0.64 0.00 0.00 41.12 37.65 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sa8 n GLY 50 N -1.75 -0.76 3.66 0.44 0.00 -0.79 -5.10 105.19 100.89 1sa8 n GLY 50 Ca -0.20 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 5.19 -0.62 2.61 -4.23 -0.85 -4.93 115.64 110.80 1sa8 s THR 51 Ca 0.00 0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 61.15 1sa8 s THR 51 Cb 0.00 -3.72 0.16 0.00 1.34 0.00 0.00 72.50 70.28 1sa8 s THR 51 CO 0.00 0.23 0.45 -1.61 -0.54 0.00 0.00 174.62 173.15 1sa8 s GLU 52 N 1.45 2.62 -0.21 3.99 2.02 -1.26 0.04 118.70 127.35 1sa8 s GLU 52 Ca 0.18 -2.45 -0.08 0.00 0.02 0.00 0.00 54.97 52.65 1sa8 s GLU 52 Cb -0.15 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1sa8 s GLU 52 CO 0.08 -1.18 0.08 -0.51 0.02 0.00 0.00 175.26 173.76 1sa8 s LEU 53 N 0.10 3.81 -0.33 1.80 1.02 -0.44 -4.06 118.68 120.57 1sa8 s LEU 53 Ca 0.16 0.03 -0.07 0.00 0.02 0.00 0.00 54.13 54.27 1sa8 s LEU 53 Cb -0.20 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.05 1sa8 s LEU 53 CO -0.04 0.11 0.11 -0.89 0.02 0.00 0.00 176.35 175.67 1sa8 s THR 54 N 0.75 4.03 0.10 5.49 2.01 -0.46 -1.86 115.64 125.69 1sa8 s THR 54 Ca 0.04 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 1sa8 s THR 54 Cb -0.13 -3.18 0.08 0.00 0.01 0.00 0.00 72.50 69.27 1sa8 s THR 54 CO 0.02 -0.07 0.93 -0.83 -0.69 0.00 0.00 174.62 173.98 1sa8 s GLY 55 N 1.48 -0.32 -0.01 4.40 0.00 -0.24 -0.53 107.32 112.10 1sa8 s GLY 55 Ca 0.01 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.20 1sa8 s GLY 55 CO 0.03 0.12 -0.06 -1.08 0.00 0.00 0.00 173.10 172.11 1sa8 s THR 56 N -3.23 3.71 -0.06 0.90 -1.32 -0.89 -0.90 115.64 113.85 1sa8 s THR 56 Ca 0.10 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 59.92 1sa8 s THR 56 Cb -0.01 -2.61 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1sa8 s THR 56 CO -0.02 0.42 -0.25 0.86 -2.21 0.00 0.00 174.62 173.42 1sa8 s TRP 57 N -0.98 2.44 -0.02 9.09 -0.11 -1.02 -1.63 118.94 126.72 1sa8 s TRP 57 Ca 0.17 -0.70 0.02 0.00 1.22 0.00 0.00 56.10 56.81 1sa8 s TRP 57 Cb -0.11 -1.60 0.00 0.00 -1.50 0.00 0.00 33.47 30.27 1sa8 s TRP 57 CO 0.07 -0.20 -0.06 0.95 -4.62 0.00 0.00 176.95 173.09 1sa8 s THR 58 N -0.20 0.52 -0.30 5.86 -4.23 0.13 0.25 115.64 117.67 1sa8 s THR 58 Ca -0.03 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 1sa8 s THR 58 Cb -0.13 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.22 1sa8 s THR 58 CO 0.03 0.17 0.14 -0.32 -0.54 0.00 0.00 174.62 174.11 1sa8 s MET 59 N 0.13 3.42 -0.47 3.99 1.75 -1.26 -0.87 119.30 125.99 1sa8 s MET 59 Ca -0.01 -0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 53.64 1sa8 s MET 59 Cb -0.06 -3.54 0.10 0.00 2.84 0.00 0.00 34.83 34.17 1sa8 s MET 59 CO -0.00 -0.37 0.37 -2.00 -0.65 0.00 0.00 175.02 172.36 1sa8 s GLU 60 N 1.62 2.76 6.45 4.11 2.12 0.03 -4.89 118.70 130.90 1sa8 s GLU 60 Ca 0.05 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.83 1sa8 s GLU 60 Cb -0.17 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.21 1sa8 s GLU 60 CO 0.06 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.08 1sa8 n GLY 61 N 5.06 1.98 2.68 -1.50 0.00 -1.26 -0.90 105.19 111.25 1sa8 n GLY 61 Ca -0.11 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 11.19 5.44 -3.89 1.61 5.03 -1.26 -4.98 115.26 128.41 1sa8 n ASN 62 Ca 0.00 -3.73 -0.14 0.00 0.87 0.00 0.00 54.58 51.57 1sa8 n ASN 62 Cb 0.00 -0.66 -0.15 0.00 -1.02 0.00 0.00 39.78 37.96 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sa8 s LYS 63 N -3.70 0.19 -0.38 3.52 3.01 -0.08 -1.47 119.74 120.84 1sa8 s LYS 63 Ca 0.48 -0.05 -0.05 0.00 -1.01 0.00 0.00 55.97 55.34 1sa8 s LYS 63 Cb 0.36 -0.23 0.08 0.00 -1.01 0.00 0.00 37.83 37.04 1sa8 s LYS 63 CO -0.22 0.01 0.17 -0.51 0.51 0.00 0.00 175.35 175.31 1sa8 s LEU 64 N 0.16 4.83 -0.00 3.17 1.43 0.20 -0.79 118.68 127.68 1sa8 s LEU 64 Ca -0.01 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.54 1sa8 s LEU 64 Cb -0.03 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1sa8 s LEU 64 CO -0.00 -0.46 -0.14 -0.69 0.23 0.00 0.00 176.35 175.29 1sa8 s VAL 65 N 1.29 1.09 0.00 -1.59 1.01 -0.05 -0.20 120.40 121.95 1sa8 s VAL 65 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1sa8 s VAL 65 Cb -0.22 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1sa8 s VAL 65 CO -0.01 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1sa8 n GLY 66 N 2.63 2.26 3.33 4.51 0.00 -1.26 0.20 105.19 116.86 1sa8 n GLY 66 Ca -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.21 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 1.04 0.43 0.06 1.61 2.20 -0.65 -4.83 119.74 119.60 1sa8 s LYS 67 Ca 0.00 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 56.60 1sa8 s LYS 67 Cb 0.00 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.82 1sa8 s LYS 67 CO 0.00 -0.31 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.41 1sa8 s PHE 68 N 2.79 1.77 -0.18 4.03 0.40 -1.24 -2.09 117.98 123.45 1sa8 s PHE 68 Ca 0.05 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1sa8 s PHE 68 Cb -0.11 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 1sa8 s PHE 68 CO -0.18 0.11 -0.04 0.21 0.70 0.00 0.00 175.22 176.02 1sa8 s LYS 69 N -1.34 3.53 -0.28 0.44 2.20 0.31 -1.18 119.74 123.41 1sa8 s LYS 69 Ca 0.07 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1sa8 s LYS 69 Cb -0.09 -2.95 0.08 0.00 -1.51 0.00 0.00 37.83 33.36 1sa8 s LYS 69 CO 0.02 0.04 0.00 0.50 -0.36 0.00 0.00 175.35 175.55 1sa8 s ARG 70 N 0.88 1.45 0.34 4.03 6.06 -1.25 -1.35 118.95 129.10 1sa8 s ARG 70 Ca -0.01 -1.28 0.05 0.00 -2.50 0.00 0.00 55.73 51.99 1sa8 s ARG 70 Cb -0.15 -2.67 0.61 0.00 0.06 0.00 0.00 34.95 32.80 1sa8 s ARG 70 CO 0.01 -0.77 1.87 -0.24 -2.50 0.00 0.00 175.30 173.68 1sa8 h VAL 71 N 6.63 1.20 -0.78 7.11 3.04 -1.86 0.51 116.25 132.10 1sa8 h VAL 71 Ca -0.13 -0.80 0.06 0.00 -1.01 0.00 0.00 66.70 64.83 1sa8 h VAL 71 Cb 1.04 0.97 -0.06 0.00 -2.01 0.00 0.00 31.29 31.23 1sa8 h VAL 71 CO 0.46 0.27 0.46 -0.78 -1.01 0.00 0.00 177.57 176.97 1sa8 h ASP 72 N 0.49 0.71 0.00 3.17 3.58 -1.92 -3.25 116.42 119.20 1sa8 h ASP 72 Ca 0.10 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1sa8 h ASP 72 Cb 0.34 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1sa8 h ASP 72 CO 0.01 0.45 -0.37 0.78 -2.88 0.00 0.00 179.24 177.24 1sa8 h ASN 73 N 0.84 0.00 0.00 2.28 2.35 -1.88 -3.46 115.58 115.71 1sa8 h ASN 73 Ca 0.35 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1sa8 h ASN 73 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1sa8 h ASN 73 CO -0.18 0.94 -0.02 0.61 -1.65 0.00 0.00 177.43 177.13 1sa8 n GLY 74 N 1.61 -0.78 3.45 2.83 0.00 -1.07 -4.96 105.19 106.27 1sa8 n GLY 74 Ca -0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 -2.97 -3.64 1.61 2.85 0.18 -4.89 118.16 111.20 1sa8 n LYS 75 Ca -0.01 0.38 -0.10 0.00 -1.05 0.00 0.00 58.31 57.52 1sa8 n LYS 75 Cb 0.50 -5.05 -0.07 0.00 -0.65 0.00 0.00 35.03 29.77 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 -6.09 0.76 -0.30 -1.58 2.02 -0.99 -3.89 118.70 108.64 1sa8 s GLU 76 Ca 0.42 1.11 -0.06 0.00 0.02 0.00 0.00 54.97 56.46 1sa8 s GLU 76 Cb -0.23 0.26 0.19 0.00 0.10 0.00 0.00 34.13 34.45 1sa8 s GLU 76 CO 0.52 -0.13 0.86 -1.17 0.02 0.00 0.00 175.26 175.37 1sa8 s LEU 77 N 1.03 -0.88 0.35 1.80 0.20 -0.33 -4.33 118.68 116.53 1sa8 s LEU 77 Ca -0.05 0.30 0.09 0.00 0.69 0.00 0.00 54.13 55.16 1sa8 s LEU 77 Cb -0.05 1.64 -0.06 0.00 -0.43 0.00 0.00 46.19 47.28 1sa8 s LEU 77 CO -0.10 -0.16 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.11 1sa8 s ILE 78 N 2.91 2.29 -0.12 6.68 1.01 -0.65 -3.74 121.20 129.58 1sa8 s ILE 78 Ca 0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 60.65 58.64 1sa8 s ILE 78 Cb -0.09 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1sa8 s ILE 78 CO -0.20 -0.17 0.04 0.00 0.00 0.00 0.00 174.94 174.61 1sa8 s ALA 79 N -2.60 0.64 -0.05 9.38 0.00 -1.26 0.13 121.76 128.00 1sa8 s ALA 79 Ca 0.33 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1sa8 s ALA 79 Cb 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1sa8 s ALA 79 CO 0.17 -0.83 -0.05 0.08 0.00 0.00 0.00 175.76 175.13 1sa8 s VAL 80 N 2.01 0.60 -0.13 0.00 1.01 -0.98 -4.20 120.40 118.72 1sa8 s VAL 80 Ca 0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1sa8 s VAL 80 Cb -0.14 -0.63 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1sa8 s VAL 80 CO -0.07 0.25 0.87 -0.60 0.00 0.00 0.00 175.10 175.55 1sa8 s ARG 81 N 0.99 0.77 0.35 2.72 6.06 0.72 -4.19 118.95 126.37 1sa8 s ARG 81 Ca -0.10 0.26 0.07 0.00 -2.50 0.00 0.00 55.73 53.46 1sa8 s ARG 81 Cb -0.14 0.37 -0.02 0.00 0.06 0.00 0.00 34.95 35.21 1sa8 s ARG 81 CO -0.00 -0.23 0.36 -1.83 -2.50 0.00 0.00 175.30 171.10 1sa8 s GLU 82 N -0.97 2.80 -0.26 5.12 1.03 -1.26 0.61 118.70 125.76 1sa8 s GLU 82 Ca -0.05 -1.25 -0.10 0.00 0.03 0.00 0.00 54.97 53.60 1sa8 s GLU 82 Cb -0.01 -2.56 -0.04 0.00 -0.80 0.00 0.00 34.13 30.72 1sa8 s GLU 82 CO 0.04 0.03 0.15 0.42 -1.33 0.00 0.00 175.26 174.58 1sa8 s ILE 83 N -2.30 5.03 -0.16 1.83 -1.09 -0.54 -4.58 121.20 119.40 1sa8 s ILE 83 Ca 0.43 0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1sa8 s ILE 83 Cb -0.07 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1sa8 s ILE 83 CO 0.28 0.29 -0.06 -0.55 -1.23 0.00 0.00 174.94 173.67 1sa8 s SER 84 N 1.60 4.51 1.76 3.58 0.15 -1.25 -4.96 113.70 119.09 1sa8 s SER 84 Ca 0.07 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1sa8 s SER 84 Cb -0.15 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1sa8 s SER 84 CO 0.08 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1sa8 n GLY 85 N 3.71 3.92 2.73 9.45 0.00 -1.26 -2.80 105.19 120.93 1sa8 n GLY 85 Ca -0.18 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1sa8 n GLY 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sa8 s ASN 86 N -4.00 3.85 -0.16 1.61 3.84 -1.26 -5.06 114.94 113.77 1sa8 s ASN 86 Ca 0.00 -2.13 -0.31 0.00 0.21 0.00 0.00 52.86 50.64 1sa8 s ASN 86 Cb 0.00 -0.96 0.14 0.00 -0.55 0.00 0.00 41.25 39.88 1sa8 s ASN 86 CO 0.00 -0.34 1.07 -1.83 -2.79 0.00 0.00 177.10 173.21 1sa8 s GLU 87 N 1.00 0.49 -0.14 0.43 -1.05 -1.12 -4.39 118.70 113.92 1sa8 s GLU 87 Ca 0.14 0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.98 1sa8 s GLU 87 Cb -0.21 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1sa8 s GLU 87 CO -0.12 -0.18 -0.18 -1.17 0.95 0.00 0.00 175.26 174.56 1sa8 s LEU 88 N -1.49 2.34 0.04 1.83 2.96 -1.00 -3.78 118.68 119.57 1sa8 s LEU 88 Ca 0.03 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1sa8 s LEU 88 Cb -0.01 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1sa8 s LEU 88 CO -0.03 0.10 0.09 -0.63 -1.32 0.00 0.00 176.35 174.57 1sa8 s ILE 89 N 0.71 4.73 -0.20 6.68 1.09 -1.26 -0.46 121.20 132.49 1sa8 s ILE 89 Ca -0.08 -0.55 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 1sa8 s ILE 89 Cb -0.16 -3.22 0.04 0.00 -1.06 0.00 0.00 42.46 38.06 1sa8 s ILE 89 CO 0.01 0.24 -0.11 -1.58 -0.10 0.00 0.00 174.94 173.40 1sa8 s GLN 90 N -2.08 2.07 -0.13 2.79 0.74 0.02 -4.83 119.66 118.24 1sa8 s GLN 90 Ca 0.27 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 1sa8 s GLN 90 Cb -0.12 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 1sa8 s GLN 90 CO 0.19 -0.41 -0.06 0.99 -0.55 0.00 0.00 175.29 175.45 1sa8 s THR 91 N 1.40 3.71 -0.30 -0.34 2.01 -1.25 -1.51 115.64 119.36 1sa8 s THR 91 Ca -0.01 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1sa8 s THR 91 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1sa8 s THR 91 CO -0.08 0.53 0.18 -0.31 -0.69 0.00 0.00 174.62 174.25 1sa8 s TYR 92 N 0.02 3.20 -0.20 4.92 1.51 0.32 -2.31 117.35 124.81 1sa8 s TYR 92 Ca -0.01 -0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 1sa8 s TYR 92 Cb -0.14 -2.38 -0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1sa8 s TYR 92 CO 0.03 -0.27 0.12 0.99 -1.11 0.00 0.00 175.55 175.31 1sa8 s THR 93 N 1.71 5.27 -0.13 -0.71 2.01 0.36 0.07 115.64 124.22 1sa8 s THR 93 Ca 0.06 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1sa8 s THR 93 Cb -0.16 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 69.05 1sa8 s THR 93 CO 0.09 0.44 0.89 -0.47 -0.69 0.00 0.00 174.62 174.88 1sa8 s TYR 94 N 0.43 -0.47 -1.44 4.92 5.04 -1.26 -1.64 117.35 122.92 1sa8 s TYR 94 Ca 0.07 0.83 -0.03 0.00 -2.44 0.00 0.00 57.07 55.50 1sa8 s TYR 94 Cb -0.12 0.43 0.03 0.00 0.35 0.00 0.00 41.96 42.65 1sa8 s TYR 94 CO -0.01 -0.43 0.52 -1.91 -1.34 0.00 0.00 175.55 172.38 1sa8 n GLU 95 N 0.86 -3.56 0.00 4.97 4.07 -1.26 -3.17 120.64 122.55 1sa8 n GLU 95 Ca -0.13 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1sa8 n GLU 95 Cb 0.57 -4.72 0.00 0.00 -0.06 0.00 0.00 31.44 27.24 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sa8 n GLY 96 N -1.86 1.39 2.88 8.31 0.00 -1.26 -4.87 105.19 109.77 1sa8 n GLY 96 Ca -0.24 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.44 -0.30 1.61 -7.23 -1.19 -4.96 120.40 107.89 1sa8 s VAL 97 Ca 0.00 -0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.97 1sa8 s VAL 97 Cb 0.00 0.00 0.22 0.00 0.56 0.00 0.00 36.38 37.16 1sa8 s VAL 97 CO 0.00 0.00 1.30 -1.83 -0.31 0.00 0.00 175.10 174.26 1sa8 s GLU 98 N 1.86 0.02 -0.30 4.82 -1.05 -1.22 -4.77 118.70 118.06 1sa8 s GLU 98 Ca 0.16 0.03 -0.07 0.00 -0.15 0.00 0.00 54.97 54.94 1sa8 s GLU 98 Cb 0.02 0.00 0.19 0.00 -0.44 0.00 0.00 34.13 33.90 1sa8 s GLU 98 CO -0.12 -0.00 0.90 0.00 0.95 0.00 0.00 175.26 176.98 1sa8 s ALA 99 N 0.95 -3.38 -0.02 -0.84 0.00 0.11 -4.67 121.76 113.91 1sa8 s ALA 99 Ca -0.07 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.28 1sa8 s ALA 99 Cb -0.02 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1sa8 s ALA 99 CO -0.10 -1.85 -0.17 -1.59 0.00 0.00 0.00 175.76 172.05 1sa8 s LYS 100 N 2.92 1.48 0.03 0.00 -2.85 -1.26 0.12 119.74 120.19 1sa8 s LYS 100 Ca 0.17 -0.62 0.07 0.00 -1.00 0.00 0.00 55.97 54.59 1sa8 s LYS 100 Cb -0.07 -1.40 -0.02 0.00 -2.06 0.00 0.00 37.83 34.28 1sa8 s LYS 100 CO -0.21 0.35 -0.20 0.50 0.10 0.00 0.00 175.35 175.89 1sa8 s ARG 101 N -0.32 1.40 -0.22 1.78 6.06 -0.57 -4.96 118.95 122.12 1sa8 s ARG 101 Ca 0.05 -0.90 -0.09 0.00 -2.50 0.00 0.00 55.73 52.29 1sa8 s ARG 101 Cb -0.08 -1.49 -0.04 0.00 0.06 0.00 0.00 34.95 33.40 1sa8 s ARG 101 CO -0.00 0.38 0.12 0.42 -2.50 0.00 0.00 175.30 173.72 1sa8 s ILE 102 N -0.75 5.05 0.35 4.11 1.01 -1.26 -0.80 121.20 128.91 1sa8 s ILE 102 Ca 0.07 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1sa8 s ILE 102 Cb -0.09 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 1sa8 s ILE 102 CO 0.01 0.39 -0.06 -0.36 0.00 0.00 0.00 174.94 174.92 1sa8 s PHE 103 N 0.87 2.37 0.04 3.97 0.08 0.40 -4.82 117.98 120.87 1sa8 s PHE 103 Ca 0.06 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 1sa8 s PHE 103 Cb -0.13 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1sa8 s PHE 103 CO 0.03 0.49 0.09 -1.59 -0.10 0.00 0.00 175.22 174.14 1sa8 s LYS 104 N -3.66 0.58 0.13 0.44 0.00 -1.26 -2.38 119.74 113.59 1sa8 s LYS 104 Ca 0.33 -0.75 -0.31 0.00 0.00 0.00 0.00 55.97 55.23 1sa8 s LYS 104 Cb 0.05 0.23 -0.10 0.00 0.00 0.00 0.00 37.83 38.00 1sa8 s LYS 104 CO 0.16 -0.14 1.76 0.21 0.00 0.00 0.00 175.35 177.34 1sa8 s LYS 105 N -2.59 4.15 0.00 1.78 2.36 -1.26 0.06 119.74 124.24 1sa8 s LYS 105 Ca -0.05 2.53 0.16 0.00 -2.55 0.00 0.00 55.97 56.05 1sa8 s LYS 105 Cb -0.01 -3.48 0.12 0.00 -1.05 0.00 0.00 37.83 33.41 1sa8 s LYS 105 CO -0.05 -0.79 1.00 -1.91 1.55 0.00 0.00 175.35 175.15