#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 -0.77 -1.03 0.00 0.40 -1.26 -3.84 117.98 111.48 1sa8 s PHE 2 Ca 0.00 1.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1sa8 s PHE 2 Cb 0.00 0.32 0.00 0.00 0.51 0.00 0.00 43.02 43.85 1sa8 s PHE 2 CO 0.00 -0.45 0.03 -3.47 0.70 0.00 0.00 175.22 172.03 1sa8 n ASP 3 N 5.06 -3.81 -3.68 1.36 2.03 0.35 -4.83 116.55 113.03 1sa8 n ASP 3 Ca -0.13 0.17 -0.03 0.00 0.52 0.00 0.00 54.79 55.32 1sa8 n ASP 3 Cb 0.51 -3.24 -0.01 0.00 -0.72 0.00 0.00 41.12 37.66 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 -2.07 -0.31 -0.25 0.27 0.00 -1.25 -5.03 107.32 98.68 1sa8 s GLY 4 Ca 0.02 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 45.10 1sa8 s GLY 4 CO 0.03 0.11 0.15 -0.51 0.00 0.00 0.00 173.10 172.87 1sa8 s THR 5 N -3.05 5.19 -0.28 0.90 -4.23 -1.26 -3.57 115.64 109.34 1sa8 s THR 5 Ca 0.11 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1sa8 s THR 5 Cb -0.00 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.49 1sa8 s THR 5 CO -0.01 0.33 0.04 0.26 -0.54 0.00 0.00 174.62 174.69 1sa8 s TRP 6 N 1.26 2.17 0.15 3.99 0.52 0.37 -0.50 118.94 126.91 1sa8 s TRP 6 Ca 0.07 -1.85 -0.25 0.00 0.02 0.00 0.00 56.10 54.09 1sa8 s TRP 6 Cb -0.14 -1.80 0.07 0.00 -1.15 0.00 0.00 33.47 30.44 1sa8 s TRP 6 CO 0.06 -0.83 0.96 0.21 0.02 0.00 0.00 176.95 177.37 1sa8 s LYS 7 N 1.46 1.18 0.00 4.98 2.47 0.13 -4.18 119.74 125.78 1sa8 s LYS 7 Ca 0.04 -0.64 -0.03 0.00 -1.56 0.00 0.00 55.97 53.78 1sa8 s LYS 7 Cb -0.18 0.41 -0.04 0.00 -1.46 0.00 0.00 37.83 36.56 1sa8 s LYS 7 CO -0.15 -0.54 0.19 0.08 0.16 0.00 0.00 175.35 175.10 1sa8 s VAL 8 N -3.28 5.42 0.06 4.02 1.01 -1.26 -4.42 120.40 121.95 1sa8 s VAL 8 Ca 0.12 -0.16 -0.37 0.00 0.00 0.00 0.00 61.98 61.57 1sa8 s VAL 8 Cb -0.01 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.63 1sa8 s VAL 8 CO 0.02 0.30 0.98 0.61 0.00 0.00 0.00 175.10 177.01 1sa8 n GLY 9 N 0.87 -0.51 0.24 4.51 0.00 -1.26 -0.88 105.19 108.17 1sa8 n GLY 9 Ca -0.10 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 1.72 2.98 3.89 -0.02 0.00 -1.26 -5.02 105.19 107.48 1sa8 n GLY 10 Ca 0.19 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 3.65 0.00 0.99 1.43 -0.06 -4.99 118.68 119.70 1sa8 s LEU 11 Ca 0.00 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1sa8 s LEU 11 Cb 0.00 -2.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1sa8 s LEU 11 CO 0.00 -0.41 0.11 -1.59 0.23 0.00 0.00 176.35 174.69 1sa8 s LYS 12 N -4.05 0.42 -0.23 1.70 -2.85 -1.23 -4.38 119.74 109.12 1sa8 s LYS 12 Ca 0.43 -0.38 -0.09 0.00 -1.00 0.00 0.00 55.97 54.93 1sa8 s LYS 12 Cb -0.06 0.17 0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1sa8 s LYS 12 CO 0.28 -0.09 0.51 -1.17 0.10 0.00 0.00 175.35 174.97 1sa8 s LEU 13 N -1.25 -0.70 -0.04 2.77 0.20 -1.24 -2.45 118.68 115.98 1sa8 s LEU 13 Ca -0.13 1.18 -0.02 0.00 0.69 0.00 0.00 54.13 55.84 1sa8 s LEU 13 Cb -0.07 1.71 0.02 0.00 -0.43 0.00 0.00 46.19 47.42 1sa8 s LEU 13 CO 0.01 -0.22 0.09 -0.89 -0.29 0.00 0.00 176.35 175.05 1sa8 s THR 14 N 2.32 -0.02 -0.07 3.68 2.01 -0.96 -0.48 115.64 122.11 1sa8 s THR 14 Ca -0.05 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1sa8 s THR 14 Cb -0.10 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.27 1sa8 s THR 14 CO -0.15 0.03 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.08 1sa8 s ILE 15 N 0.49 1.05 -0.12 1.82 1.01 -1.23 -0.52 121.20 123.71 1sa8 s ILE 15 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1sa8 s ILE 15 Cb -0.05 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1sa8 s ILE 15 CO -0.02 0.34 -0.12 -0.89 0.00 0.00 0.00 174.94 174.26 1sa8 s THR 16 N 0.91 3.18 0.05 2.92 2.01 -1.24 0.13 115.64 123.60 1sa8 s THR 16 Ca -0.10 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1sa8 s THR 16 Cb -0.15 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1sa8 s THR 16 CO 0.01 0.54 -0.13 0.00 -0.69 0.00 0.00 174.62 174.34 1sa8 s GLN 17 N 0.12 0.84 -0.34 4.92 0.00 -1.26 -3.59 119.66 120.35 1sa8 s GLN 17 Ca -0.06 -0.83 -0.01 0.00 -0.00 0.00 0.00 55.36 54.47 1sa8 s GLN 17 Cb -0.15 -0.83 0.12 0.00 0.00 0.00 0.00 33.01 32.15 1sa8 s GLN 17 CO 0.04 0.19 0.16 -1.83 0.00 0.00 0.00 175.29 173.86 1sa8 s GLU 18 N -1.40 0.65 0.00 9.60 -1.05 -1.24 -4.94 118.70 120.33 1sa8 s GLU 18 Ca -0.01 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 1sa8 s GLU 18 Cb -0.09 -1.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.93 1sa8 s GLU 18 CO 0.02 -1.09 0.00 0.41 0.95 0.00 0.00 175.26 175.55 1sa8 n GLY 19 N 4.49 1.39 3.15 -3.83 0.00 -1.26 -3.92 105.19 105.21 1sa8 n GLY 19 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1sa8 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sa8 s ASN 20 N 0.00 -1.44 -0.30 1.61 2.20 -1.26 -5.09 114.94 110.65 1sa8 s ASN 20 Ca 0.00 -0.05 -0.07 0.00 -0.94 0.00 0.00 52.86 51.80 1sa8 s ASN 20 Cb 0.00 1.89 0.19 0.00 -2.00 0.00 0.00 41.25 41.32 1sa8 s ASN 20 CO 0.00 -0.24 0.90 -0.75 -2.94 0.00 0.00 177.10 174.07 1sa8 s LYS 21 N 2.60 0.30 -0.11 3.55 2.20 -1.25 -4.30 119.74 122.72 1sa8 s LYS 21 Ca 0.13 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 1sa8 s LYS 21 Cb -0.07 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 1sa8 s LYS 21 CO -0.21 -0.44 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.27 1sa8 s PHE 22 N 2.92 3.11 -0.07 4.03 0.40 -0.36 -3.61 117.98 124.41 1sa8 s PHE 22 Ca 0.14 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1sa8 s PHE 22 Cb -0.08 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1sa8 s PHE 22 CO -0.19 0.28 -0.11 -0.08 0.70 0.00 0.00 175.22 175.82 1sa8 s THR 23 N -0.39 1.06 -0.21 0.64 -1.32 -1.24 -0.27 115.64 113.91 1sa8 s THR 23 Ca 0.07 -0.42 -0.08 0.00 -1.21 0.00 0.00 61.69 60.05 1sa8 s THR 23 Cb -0.12 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1sa8 s THR 23 CO 0.02 0.34 0.08 -0.69 -2.21 0.00 0.00 174.62 172.16 1sa8 s VAL 24 N 0.78 4.73 -0.48 5.08 1.01 0.11 -3.62 120.40 128.00 1sa8 s VAL 24 Ca -0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1sa8 s VAL 24 Cb -0.15 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1sa8 s VAL 24 CO 0.02 0.41 0.40 -0.75 0.00 0.00 0.00 175.10 175.19 1sa8 s LYS 25 N 0.77 2.87 -0.08 2.72 2.20 0.33 -0.98 119.74 127.56 1sa8 s LYS 25 Ca 0.04 -1.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.14 1sa8 s LYS 25 Cb -0.13 -4.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.06 1sa8 s LYS 25 CO 0.02 -1.13 -0.12 -2.00 -0.36 0.00 0.00 175.35 171.77 1sa8 s GLU 26 N 1.56 2.83 -0.20 4.03 2.56 0.52 -2.27 118.70 127.73 1sa8 s GLU 26 Ca 0.04 -0.65 -0.06 0.00 0.00 0.00 0.00 54.97 54.30 1sa8 s GLU 26 Cb -0.26 -2.52 0.10 0.00 2.00 0.00 0.00 34.13 33.45 1sa8 s GLU 26 CO 0.04 0.52 0.40 -1.12 -0.56 0.00 0.00 175.26 174.54 1sa8 s SER 27 N -0.43 -0.13 -0.12 -1.70 0.01 -1.02 -0.92 113.70 109.38 1sa8 s SER 27 Ca 0.05 0.82 -0.19 0.00 1.31 0.00 0.00 55.95 57.94 1sa8 s SER 27 Cb -0.12 1.28 0.05 0.00 0.21 0.00 0.00 66.02 67.43 1sa8 s SER 27 CO 0.02 -0.25 0.48 -0.44 0.41 0.00 0.00 173.24 173.46 1sa8 s SER 28 N 2.59 -0.45 0.00 2.44 0.01 -1.13 -3.48 113.70 113.68 1sa8 s SER 28 Ca 0.02 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1sa8 s SER 28 Cb -0.13 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1sa8 s SER 28 CO -0.13 -0.32 0.00 0.59 0.41 0.00 0.00 173.24 173.79 1sa8 n ASN 29 N 2.08 0.00 -2.68 2.44 4.13 -1.26 -2.69 115.26 117.28 1sa8 n ASN 29 Ca -0.17 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.05 1sa8 n ASN 29 Cb 0.56 0.00 0.10 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 -1.17 -3.66 3.10 7.35 -1.26 -5.11 117.46 116.72 1sa8 n PHE 30 Ca 0.00 -1.16 -0.13 0.00 -0.76 0.00 0.00 57.45 55.40 1sa8 n PHE 30 Cb 0.00 1.32 -0.08 0.00 0.35 0.00 0.00 39.48 41.07 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 0.71 -0.08 -4.13 3.03 -1.09 -5.16 118.95 112.34 1sa8 s ARG 31 Ca 0.19 0.91 0.05 0.00 2.03 0.00 0.00 55.73 58.91 1sa8 s ARG 31 Cb 0.28 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.50 1sa8 s ARG 31 CO -0.14 -0.10 -0.22 -0.80 -1.13 0.00 0.00 175.30 172.92 1sa8 s ASN 32 N 0.54 3.33 -0.12 -2.89 -0.87 -1.26 -2.83 114.94 110.83 1sa8 s ASN 32 Ca -0.02 -0.46 -0.29 0.00 -1.57 0.00 0.00 52.86 50.53 1sa8 s ASN 32 Cb -0.05 -1.06 0.07 0.00 -0.02 0.00 0.00 41.25 40.19 1sa8 s ASN 32 CO -0.02 0.23 0.68 -0.51 -2.57 0.00 0.00 177.10 174.91 1sa8 s ILE 33 N -0.06 0.00 -0.00 0.60 1.10 -0.10 -4.99 121.20 117.74 1sa8 s ILE 33 Ca -0.06 -0.01 0.08 0.00 -0.51 0.00 0.00 60.65 60.16 1sa8 s ILE 33 Cb -0.14 -0.99 -0.02 0.00 0.15 0.00 0.00 42.46 41.46 1sa8 s ILE 33 CO 0.05 -0.00 -0.26 1.51 -2.11 0.00 0.00 174.94 174.12 1sa8 s ASP 34 N -0.67 3.02 -0.20 4.50 -4.77 -1.25 -0.36 116.67 116.94 1sa8 s ASP 34 Ca -0.07 -0.49 -0.00 0.00 -3.30 0.00 0.00 52.55 48.68 1sa8 s ASP 34 Cb -0.02 -0.32 0.05 0.00 -1.09 0.00 0.00 42.92 41.54 1sa8 s ASP 34 CO 0.07 0.30 -0.04 -0.69 0.70 0.00 0.00 175.17 175.51 1sa8 s VAL 35 N -0.65 1.17 -0.15 2.11 1.01 -0.15 -4.90 120.40 118.84 1sa8 s VAL 35 Ca 0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1sa8 s VAL 35 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1sa8 s VAL 35 CO -0.00 -0.01 0.07 0.54 0.00 0.00 0.00 175.10 175.69 1sa8 s VAL 36 N 1.58 4.84 -0.03 2.92 0.11 -1.26 0.05 120.40 128.62 1sa8 s VAL 36 Ca -0.02 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.79 1sa8 s VAL 36 Cb -0.17 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1sa8 s VAL 36 CO -0.07 0.53 0.47 0.72 -3.33 0.00 0.00 175.10 173.41 1sa8 s PHE 37 N -0.21 -0.38 -0.08 1.54 -0.12 0.62 -4.98 117.98 114.38 1sa8 s PHE 37 Ca 0.08 0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 57.54 1sa8 s PHE 37 Cb -0.12 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1sa8 s PHE 37 CO 0.01 -0.49 0.08 -2.00 -0.05 0.00 0.00 175.22 172.78 1sa8 s GLU 38 N -1.31 3.21 0.12 1.99 2.12 -1.26 -1.22 118.70 122.35 1sa8 s GLU 38 Ca -0.12 -0.31 -0.31 0.00 0.36 0.00 0.00 54.97 54.59 1sa8 s GLU 38 Cb -0.03 -2.98 -0.10 0.00 0.26 0.00 0.00 34.13 31.28 1sa8 s GLU 38 CO 0.06 0.72 1.71 -0.51 -0.54 0.00 0.00 175.26 176.71 1sa8 s LEU 39 N -1.17 4.38 -0.55 2.70 2.01 -1.26 -2.18 118.68 122.61 1sa8 s LEU 39 Ca 0.17 2.65 -0.00 0.00 0.01 0.00 0.00 54.13 56.96 1sa8 s LEU 39 Cb -0.12 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1sa8 s LEU 39 CO 0.06 -0.93 0.01 0.61 1.01 0.00 0.00 176.35 177.11 1sa8 n GLY 40 N 4.04 0.12 3.32 -3.19 0.00 0.16 -5.01 105.19 104.63 1sa8 n GLY 40 Ca 0.16 -0.61 -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 -2.34 2.18 -0.12 1.61 1.01 -0.93 -4.93 120.40 116.88 1sa8 s VAL 41 Ca 0.01 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1sa8 s VAL 41 Cb -0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1sa8 s VAL 41 CO 0.01 0.58 0.08 -0.62 0.00 0.00 0.00 175.10 175.15 1sa8 s ASP 42 N -0.53 5.90 -0.01 3.32 2.15 -1.26 -3.28 116.67 122.95 1sa8 s ASP 42 Ca 0.07 0.30 -0.29 0.00 0.43 0.00 0.00 52.55 53.06 1sa8 s ASP 42 Cb -0.11 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.73 1sa8 s ASP 42 CO 0.00 0.35 0.72 0.72 -0.17 0.00 0.00 175.17 176.79 1sa8 s PHE 43 N -0.70 -0.57 -0.19 -5.34 -0.12 -1.09 -4.96 117.98 105.02 1sa8 s PHE 43 Ca 0.12 0.79 -0.08 0.00 -0.05 0.00 0.00 56.93 57.72 1sa8 s PHE 43 Cb -0.12 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1sa8 s PHE 43 CO 0.03 -0.63 0.07 0.00 -0.05 0.00 0.00 175.22 174.64 1sa8 s ALA 44 N -1.97 3.43 -0.01 1.99 0.00 -1.26 -1.31 121.76 122.63 1sa8 s ALA 44 Ca -0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1sa8 s ALA 44 Cb -0.00 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1sa8 s ALA 44 CO 0.02 0.16 0.02 -0.47 0.00 0.00 0.00 175.76 175.49 1sa8 s TYR 45 N 0.40 -0.01 -0.18 0.00 5.04 0.19 -4.97 117.35 117.82 1sa8 s TYR 45 Ca 0.03 0.08 -0.07 0.00 -2.44 0.00 0.00 57.07 54.68 1sa8 s TYR 45 Cb -0.12 -0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.08 1sa8 s TYR 45 CO 0.00 -0.04 0.06 0.45 -1.34 0.00 0.00 175.55 174.68 1sa8 s SER 46 N 0.37 5.59 -0.07 4.32 0.15 -1.26 -1.26 113.70 121.54 1sa8 s SER 46 Ca -0.03 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1sa8 s SER 46 Cb -0.04 -1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1sa8 s SER 46 CO -0.01 0.18 -0.19 -0.76 1.20 0.00 0.00 173.24 173.65 1sa8 s LEU 47 N 0.36 2.40 -1.42 3.45 1.43 0.62 -4.63 118.68 120.90 1sa8 s LEU 47 Ca 0.03 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1sa8 s LEU 47 Cb -0.12 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1sa8 s LEU 47 CO 0.00 0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.83 1sa8 n ALA 48 N 2.93 -0.70 -4.02 4.21 0.00 -1.26 -1.30 120.51 120.37 1sa8 n ALA 48 Ca -0.18 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1sa8 n ALA 48 Cb 0.52 -1.84 0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.90 -4.18 0.13 0.00 9.92 -1.26 -4.69 116.55 114.57 1sa8 n ASP 49 Ca -0.20 -0.86 0.00 0.00 -0.53 0.00 0.00 54.79 53.20 1sa8 n ASP 49 Cb 0.65 -3.48 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 -1.59 -1.08 3.72 0.44 0.00 -0.60 -5.10 105.19 100.97 1sa8 n GLY 50 Ca 0.04 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 4.24 -0.37 2.61 -4.23 -0.42 -4.83 115.64 110.64 1sa8 s THR 51 Ca 0.00 1.74 0.03 0.00 -1.18 0.00 0.00 61.69 62.27 1sa8 s THR 51 Cb 0.00 -4.11 0.11 0.00 1.34 0.00 0.00 72.50 69.84 1sa8 s THR 51 CO 0.00 0.21 0.11 -1.61 -0.54 0.00 0.00 174.62 172.79 1sa8 s GLU 52 N 0.42 1.33 -0.19 3.99 2.02 -1.26 -0.28 118.70 124.74 1sa8 s GLU 52 Ca 0.52 -1.79 -0.07 0.00 0.02 0.00 0.00 54.97 53.65 1sa8 s GLU 52 Cb -0.27 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1sa8 s GLU 52 CO 0.31 -1.00 0.06 -0.51 0.02 0.00 0.00 175.26 174.14 1sa8 s LEU 53 N 0.86 3.77 -0.26 1.80 1.02 -0.39 -2.24 118.68 123.23 1sa8 s LEU 53 Ca 0.12 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.34 1sa8 s LEU 53 Cb -0.20 -1.96 0.05 0.00 0.02 0.00 0.00 46.19 44.10 1sa8 s LEU 53 CO -0.10 0.15 -0.09 -0.89 0.02 0.00 0.00 176.35 175.44 1sa8 s THR 54 N 0.49 2.36 0.08 5.49 2.01 0.18 -0.63 115.64 125.62 1sa8 s THR 54 Ca 0.03 -1.50 -0.27 0.00 0.31 0.00 0.00 61.69 60.27 1sa8 s THR 54 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 72.50 70.13 1sa8 s THR 54 CO 0.01 0.02 0.93 -0.83 -0.69 0.00 0.00 174.62 174.05 1sa8 s GLY 55 N 1.16 -0.35 -0.03 4.40 0.00 -0.43 0.07 107.32 112.14 1sa8 s GLY 55 Ca -0.07 0.54 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 1sa8 s GLY 55 CO -0.05 0.16 0.07 -1.08 0.00 0.00 0.00 173.10 172.19 1sa8 s THR 56 N -3.20 4.69 -0.03 0.90 -1.32 -1.08 -2.67 115.64 112.92 1sa8 s THR 56 Ca 0.09 -0.32 0.06 0.00 -1.21 0.00 0.00 61.69 60.31 1sa8 s THR 56 Cb -0.01 -3.09 -0.01 0.00 -1.51 0.00 0.00 72.50 67.87 1sa8 s THR 56 CO -0.03 0.43 -0.21 0.86 -2.21 0.00 0.00 174.62 173.46 1sa8 s TRP 57 N -1.10 1.96 0.03 9.09 -0.11 -1.21 -2.43 118.94 125.16 1sa8 s TRP 57 Ca 0.20 -0.46 0.01 0.00 1.22 0.00 0.00 56.10 57.07 1sa8 s TRP 57 Cb -0.12 -1.28 -0.02 0.00 -1.50 0.00 0.00 33.47 30.55 1sa8 s TRP 57 CO 0.10 -0.10 -0.06 0.95 -4.62 0.00 0.00 176.95 173.22 1sa8 s THR 58 N -0.29 0.38 -0.16 5.86 -4.23 -0.51 0.40 115.64 117.07 1sa8 s THR 58 Ca 0.03 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1sa8 s THR 58 Cb -0.10 -0.45 0.05 0.00 1.34 0.00 0.00 72.50 73.34 1sa8 s THR 58 CO 0.01 -0.33 0.01 -0.32 -0.54 0.00 0.00 174.62 173.45 1sa8 s MET 59 N -1.28 0.79 -0.45 3.99 0.00 -1.25 -1.79 119.30 119.31 1sa8 s MET 59 Ca -0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 55.69 55.14 1sa8 s MET 59 Cb -0.08 -1.86 0.08 0.00 0.00 0.00 0.00 34.83 32.96 1sa8 s MET 59 CO -0.00 -0.53 0.33 -2.00 0.00 0.00 0.00 175.02 172.81 1sa8 s GLU 60 N 1.84 2.78 0.00 4.11 2.12 -0.55 -4.85 118.70 124.15 1sa8 s GLU 60 Ca 0.00 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1sa8 s GLU 60 Cb -0.16 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1sa8 s GLU 60 CO -0.07 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 174.05 1sa8 n GLY 61 N 5.05 0.93 2.79 -1.50 0.00 -1.26 -1.31 105.19 109.89 1sa8 n GLY 61 Ca -0.11 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 2.16 0.86 -3.99 1.61 0.23 -1.26 -5.05 115.26 109.82 1sa8 n ASN 62 Ca 0.00 -2.13 -0.30 0.00 -0.53 0.00 0.00 54.58 51.62 1sa8 n ASN 62 Cb 0.00 -0.21 -0.16 0.00 -2.08 0.00 0.00 39.78 37.32 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 -2.86 2.08 -0.43 -3.83 -0.14 -0.43 -0.40 119.74 113.73 1sa8 s LYS 63 Ca 0.23 -0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 54.05 1sa8 s LYS 63 Cb 0.36 -2.23 0.07 0.00 -1.68 0.00 0.00 37.83 34.35 1sa8 s LYS 63 CO -0.05 -0.34 0.31 -0.51 -0.76 0.00 0.00 175.35 173.99 1sa8 s LEU 64 N 1.46 5.29 -0.03 3.17 1.43 0.95 -1.48 118.68 129.48 1sa8 s LEU 64 Ca 0.02 -1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 51.71 1sa8 s LEU 64 Cb -0.15 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1sa8 s LEU 64 CO -0.09 -0.56 0.09 -0.69 0.23 0.00 0.00 176.35 175.33 1sa8 s VAL 65 N 1.52 0.02 0.00 -1.59 1.01 -0.74 -0.78 120.40 119.85 1sa8 s VAL 65 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1sa8 s VAL 65 Cb -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1sa8 s VAL 65 CO 0.04 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1sa8 n GLY 66 N 2.71 2.20 3.42 4.51 0.00 -1.26 -1.43 105.19 115.34 1sa8 n GLY 66 Ca -0.15 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 2.66 0.40 -0.02 1.61 2.20 -1.02 -4.85 119.74 120.73 1sa8 s LYS 67 Ca 0.00 0.95 0.08 0.00 -0.36 0.00 0.00 55.97 56.63 1sa8 s LYS 67 Cb 0.00 0.56 -0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1sa8 s LYS 67 CO 0.00 -0.21 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.47 1sa8 s PHE 68 N 2.69 2.26 -0.34 4.03 0.40 -1.23 -2.65 117.98 123.14 1sa8 s PHE 68 Ca -0.00 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1sa8 s PHE 68 Cb -0.09 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1sa8 s PHE 68 CO -0.18 -0.03 0.17 0.21 0.70 0.00 0.00 175.22 176.09 1sa8 s LYS 69 N -0.62 3.10 -1.16 0.44 2.20 0.11 -0.59 119.74 123.22 1sa8 s LYS 69 Ca 0.10 -0.88 -0.08 0.00 -0.36 0.00 0.00 55.97 54.74 1sa8 s LYS 69 Cb -0.10 -3.63 0.25 0.00 -1.51 0.00 0.00 37.83 32.84 1sa8 s LYS 69 CO -0.01 -0.54 1.46 -2.13 -0.36 0.00 0.00 175.35 173.77 1sa8 n ARG 70 N 4.98 3.84 -0.24 4.03 3.00 -1.09 -0.65 116.66 130.53 1sa8 n ARG 70 Ca -0.13 -4.19 -0.04 0.00 -0.00 0.00 0.00 57.85 53.49 1sa8 n ARG 70 Cb 0.48 -2.70 0.12 0.00 0.00 0.00 0.00 32.46 30.35 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 3.77 1.25 -0.02 5.15 3.04 -1.69 0.13 116.25 127.89 1sa8 h VAL 71 Ca 0.26 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 65.17 1sa8 h VAL 71 Cb 0.74 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1sa8 h VAL 71 CO 1.29 0.31 0.01 -0.67 -1.01 0.00 0.00 177.57 177.51 1sa8 n ASP 72 N -4.29 4.57 0.00 3.17 2.03 -1.26 -3.72 116.55 117.05 1sa8 n ASP 72 Ca 0.07 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.08 1sa8 n ASP 72 Cb 0.18 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1sa8 n ASP 72 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1sa8 n ASN 73 N 1.12 0.00 0.00 1.67 5.15 -1.11 -4.84 115.26 117.25 1sa8 n ASN 73 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1sa8 n ASN 73 Cb 0.51 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 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 -1.24 -0.66 0.00 8.20 0.00 0.40 -5.08 105.19 106.81 1sa8 n GLY 74 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.00 -3.58 1.61 2.85 -0.77 -4.54 118.16 113.73 1sa8 n LYS 75 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1sa8 n LYS 75 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 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 -0.38 0.15 -0.26 -1.58 2.02 -1.26 -2.67 118.70 114.72 1sa8 s GLU 76 Ca 0.00 0.46 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1sa8 s GLU 76 Cb 0.00 -0.63 0.08 0.00 0.10 0.00 0.00 34.13 33.68 1sa8 s GLU 76 CO 0.00 -0.47 0.06 -1.17 0.02 0.00 0.00 175.26 173.70 1sa8 s LEU 77 N 2.36 1.85 -0.05 1.80 2.96 0.24 -0.84 118.68 127.00 1sa8 s LEU 77 Ca 0.05 -1.27 0.04 0.00 -0.22 0.00 0.00 54.13 52.73 1sa8 s LEU 77 Cb -0.14 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1sa8 s LEU 77 CO -0.10 -0.35 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.80 1sa8 s ILE 78 N 1.69 2.95 -0.18 6.68 1.01 0.12 -3.51 121.20 129.96 1sa8 s ILE 78 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1sa8 s ILE 78 Cb -0.17 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1sa8 s ILE 78 CO -0.17 0.59 0.01 0.00 0.00 0.00 0.00 174.94 175.37 1sa8 s ALA 79 N -0.65 3.13 -0.03 9.38 0.00 -1.26 0.11 121.76 132.45 1sa8 s ALA 79 Ca 0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1sa8 s ALA 79 Cb -0.11 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1sa8 s ALA 79 CO 0.01 0.05 0.06 0.08 0.00 0.00 0.00 175.76 175.96 1sa8 s VAL 80 N 0.63 -0.07 -0.17 0.00 1.01 -0.91 -4.03 120.40 116.85 1sa8 s VAL 80 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1sa8 s VAL 80 Cb -0.14 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.23 1sa8 s VAL 80 CO 0.02 0.10 0.93 -0.60 0.00 0.00 0.00 175.10 175.55 1sa8 s ARG 81 N 1.30 0.68 0.08 2.72 6.06 0.04 -3.75 118.95 126.08 1sa8 s ARG 81 Ca -0.07 0.31 0.03 0.00 -2.50 0.00 0.00 55.73 53.50 1sa8 s ARG 81 Cb -0.13 0.32 -0.04 0.00 0.06 0.00 0.00 34.95 35.17 1sa8 s ARG 81 CO -0.04 -0.18 0.10 -1.83 -2.50 0.00 0.00 175.30 170.85 1sa8 s GLU 82 N -0.77 2.97 -0.31 5.12 1.03 -1.26 -0.03 118.70 125.45 1sa8 s GLU 82 Ca -0.03 -0.65 -0.10 0.00 0.03 0.00 0.00 54.97 54.22 1sa8 s GLU 82 Cb -0.02 -2.78 -0.01 0.00 -0.80 0.00 0.00 34.13 30.53 1sa8 s GLU 82 CO 0.02 0.57 0.17 0.42 -1.33 0.00 0.00 175.26 175.10 1sa8 s ILE 83 N -1.42 4.75 -0.20 1.83 1.09 0.47 -4.68 121.20 123.04 1sa8 s ILE 83 Ca 0.30 -0.33 -0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1sa8 s ILE 83 Cb -0.12 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.84 1sa8 s ILE 83 CO 0.23 0.08 0.06 -0.44 -0.10 0.00 0.00 174.94 174.77 1sa8 s SER 84 N 1.64 5.43 1.80 3.58 0.01 -1.26 -4.87 113.70 120.03 1sa8 s SER 84 Ca 0.05 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1sa8 s SER 84 Cb -0.17 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1sa8 s SER 84 CO 0.07 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1sa8 n GLY 85 N 3.99 4.16 2.78 3.44 0.00 -1.26 -3.23 105.19 115.07 1sa8 n GLY 85 Ca -0.16 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 4.08 0.02 1.61 2.20 -1.26 -5.06 114.94 112.53 1sa8 s ASN 86 Ca 0.00 -1.94 -0.29 0.00 -0.94 0.00 0.00 52.86 49.69 1sa8 s ASN 86 Cb 0.00 -1.03 0.10 0.00 -2.00 0.00 0.00 41.25 38.31 1sa8 s ASN 86 CO 0.00 -0.38 1.08 -1.83 -2.94 0.00 0.00 177.10 173.03 1sa8 s GLU 87 N 1.22 0.76 -0.13 3.55 4.04 -1.20 -4.39 118.70 122.56 1sa8 s GLU 87 Ca 0.12 -0.38 -0.05 0.00 0.04 0.00 0.00 54.97 54.69 1sa8 s GLU 87 Cb -0.19 0.28 0.06 0.00 0.02 0.00 0.00 34.13 34.30 1sa8 s GLU 87 CO -0.17 -0.34 0.27 -1.17 -1.84 0.00 0.00 175.26 172.00 1sa8 s LEU 88 N -2.75 -0.10 0.24 1.83 2.96 -1.05 -4.25 118.68 115.56 1sa8 s LEU 88 Ca 0.11 0.60 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1sa8 s LEU 88 Cb 0.01 0.75 -0.03 0.00 0.50 0.00 0.00 46.19 47.41 1sa8 s LEU 88 CO -0.03 -0.22 0.26 -0.63 -1.32 0.00 0.00 176.35 174.42 1sa8 s ILE 89 N 2.06 4.79 -0.06 6.68 1.01 -1.26 -1.42 121.20 133.00 1sa8 s ILE 89 Ca -0.02 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1sa8 s ILE 89 Cb -0.11 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1sa8 s ILE 89 CO -0.09 -0.33 0.01 -1.58 0.00 0.00 0.00 174.94 172.96 1sa8 s GLN 90 N -3.85 0.46 -0.18 2.79 2.00 -0.68 -4.84 119.66 115.35 1sa8 s GLN 90 Ca 0.33 0.15 -0.04 0.00 -2.00 0.00 0.00 55.36 53.80 1sa8 s GLN 90 Cb -0.08 -0.83 -0.02 0.00 0.80 0.00 0.00 33.01 32.88 1sa8 s GLN 90 CO 0.27 -0.28 -0.04 0.99 -0.50 0.00 0.00 175.29 175.73 1sa8 s THR 91 N 1.86 3.70 -0.34 -0.34 2.01 -1.25 -2.12 115.64 119.16 1sa8 s THR 91 Ca 0.03 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1sa8 s THR 91 Cb -0.12 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.75 1sa8 s THR 91 CO -0.04 0.46 0.17 -0.31 -0.69 0.00 0.00 174.62 174.21 1sa8 s TYR 92 N 0.82 3.20 -0.46 4.92 1.51 0.53 -2.15 117.35 125.73 1sa8 s TYR 92 Ca -0.01 -0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 55.16 1sa8 s TYR 92 Cb -0.15 -2.38 0.09 0.00 -0.11 0.00 0.00 41.96 39.41 1sa8 s TYR 92 CO 0.02 -0.54 0.36 0.99 -1.11 0.00 0.00 175.55 175.26 1sa8 s THR 93 N 1.58 4.73 -0.21 -0.71 2.01 0.31 -1.13 115.64 122.21 1sa8 s THR 93 Ca 0.03 -1.35 -0.05 0.00 0.31 0.00 0.00 61.69 60.63 1sa8 s THR 93 Cb -0.18 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1sa8 s THR 93 CO 0.06 -0.63 0.01 -0.47 -0.69 0.00 0.00 174.62 172.91 1sa8 s TYR 94 N 1.52 3.04 -1.36 4.92 5.04 0.11 0.12 117.35 130.73 1sa8 s TYR 94 Ca 0.04 -0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 54.12 1sa8 s TYR 94 Cb -0.25 -2.12 0.02 0.00 0.35 0.00 0.00 41.96 39.95 1sa8 s TYR 94 CO 0.03 -0.31 0.72 -1.91 -1.34 0.00 0.00 175.55 172.75 1sa8 n GLU 95 N 4.49 -4.85 0.00 4.97 2.13 -0.02 -1.25 120.64 126.11 1sa8 n GLU 95 Ca -0.17 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1sa8 n GLU 95 Cb 0.52 -5.17 0.00 0.00 0.27 0.00 0.00 31.44 27.06 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 -1.64 2.64 3.51 8.31 0.00 -1.26 -4.99 105.19 111.76 1sa8 n GLY 96 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1sa8 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 97 N -2.63 4.85 -0.14 1.61 1.01 -0.38 -5.08 120.40 119.65 1sa8 s VAL 97 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1sa8 s VAL 97 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1sa8 s VAL 97 CO 0.00 0.24 0.04 -1.83 0.00 0.00 0.00 175.10 173.55 1sa8 s GLU 98 N 1.68 3.55 -0.02 2.72 -1.05 -1.26 0.04 118.70 124.35 1sa8 s GLU 98 Ca 0.06 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 54.55 1sa8 s GLU 98 Cb -0.16 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 1sa8 s GLU 98 CO 0.08 0.48 -0.09 0.00 0.95 0.00 0.00 175.26 176.67 1sa8 s ALA 99 N -0.23 0.86 0.01 -0.84 0.00 -0.29 -4.96 121.76 116.32 1sa8 s ALA 99 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1sa8 s ALA 99 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1sa8 s ALA 99 CO 0.02 0.14 -0.05 -1.59 0.00 0.00 0.00 175.76 174.28 1sa8 s LYS 100 N 0.17 0.39 0.12 0.00 -2.85 -1.26 -0.34 119.74 115.97 1sa8 s LYS 100 Ca -0.03 -0.32 0.10 0.00 -1.00 0.00 0.00 55.97 54.73 1sa8 s LYS 100 Cb -0.08 -0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.34 1sa8 s LYS 100 CO 0.00 0.08 -0.26 0.50 0.10 0.00 0.00 175.35 175.77 1sa8 s ARG 101 N -0.51 1.37 -0.16 1.78 3.52 -0.90 -4.96 118.95 119.09 1sa8 s ARG 101 Ca -0.02 -1.29 -0.08 0.00 -0.13 0.00 0.00 55.73 54.21 1sa8 s ARG 101 Cb -0.04 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 1sa8 s ARG 101 CO -0.00 0.43 0.12 -1.50 -0.81 0.00 0.00 175.30 173.53 1sa8 s ILE 102 N -1.06 5.29 0.24 4.11 -1.16 -1.26 -1.69 121.20 125.67 1sa8 s ILE 102 Ca 0.12 0.14 0.03 0.00 -0.51 0.00 0.00 60.65 60.44 1sa8 s ILE 102 Cb -0.10 -3.36 -0.05 0.00 0.61 0.00 0.00 42.46 39.56 1sa8 s ILE 102 CO 0.05 0.52 0.01 -0.36 -2.81 0.00 0.00 174.94 172.35 1sa8 s PHE 103 N -0.23 1.60 0.16 3.50 0.08 -0.51 -4.89 117.98 117.70 1sa8 s PHE 103 Ca 0.10 -0.95 -0.08 0.00 0.12 0.00 0.00 56.93 56.12 1sa8 s PHE 103 Cb -0.12 -0.94 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 1sa8 s PHE 103 CO 0.01 -0.06 0.27 -1.59 -0.10 0.00 0.00 175.22 173.75 1sa8 s LYS 104 N -3.88 1.14 0.15 0.44 0.00 -1.26 -2.53 119.74 113.80 1sa8 s LYS 104 Ca 0.30 -1.20 -0.32 0.00 0.00 0.00 0.00 55.97 54.75 1sa8 s LYS 104 Cb 0.06 0.37 -0.12 0.00 0.00 0.00 0.00 37.83 38.14 1sa8 s LYS 104 CO 0.10 -0.41 1.73 1.17 0.00 0.00 0.00 175.35 177.93 1sa8 n LYS 105 N -0.21 2.56 0.00 1.78 3.00 -1.26 0.17 118.16 124.21 1sa8 n LYS 105 Ca -0.07 0.93 0.12 0.00 -0.00 0.00 0.00 58.31 59.29 1sa8 n LYS 105 Cb 0.63 -2.77 0.13 0.00 0.00 0.00 0.00 35.03 33.02 1sa8 n LYS 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49