#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 -3.49 0.00 3.01 -1.26 -4.94 117.46 110.78 1sa8 n PHE 2 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 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 -4.16 -3.70 4.37 2.03 -0.11 -4.98 116.55 110.00 1sa8 n ASP 3 Ca 0.00 -0.79 -0.05 0.00 0.52 0.00 0.00 54.79 54.47 1sa8 n ASP 3 Cb 0.00 -4.51 -0.02 0.00 -0.72 0.00 0.00 41.12 35.87 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 -3.82 -0.28 -0.24 0.27 0.00 -1.02 -5.00 107.32 97.22 1sa8 s GLY 4 Ca 0.27 0.28 -0.10 0.00 0.00 0.00 0.00 44.72 45.17 1sa8 s GLY 4 CO 0.78 0.07 0.14 -0.51 0.00 0.00 0.00 173.10 173.59 1sa8 s THR 5 N -3.33 5.20 -0.29 0.90 -4.23 -1.26 -2.13 115.64 110.51 1sa8 s THR 5 Ca 0.10 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1sa8 s THR 5 Cb -0.02 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1sa8 s THR 5 CO -0.00 0.35 0.03 0.26 -0.54 0.00 0.00 174.62 174.72 1sa8 s TRP 6 N 1.10 2.39 0.14 3.99 0.52 -0.11 -1.31 118.94 125.67 1sa8 s TRP 6 Ca 0.07 -1.99 -0.25 0.00 0.02 0.00 0.00 56.10 53.94 1sa8 s TRP 6 Cb -0.14 -1.92 0.07 0.00 -1.15 0.00 0.00 33.47 30.33 1sa8 s TRP 6 CO 0.05 -0.84 0.97 0.21 0.02 0.00 0.00 176.95 177.35 1sa8 s LYS 7 N 1.39 1.16 -0.02 4.98 2.47 0.11 -4.28 119.74 125.54 1sa8 s LYS 7 Ca 0.04 -0.63 -0.03 0.00 -1.56 0.00 0.00 55.97 53.79 1sa8 s LYS 7 Cb -0.18 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.55 1sa8 s LYS 7 CO -0.14 -0.53 0.17 0.08 0.16 0.00 0.00 175.35 175.10 1sa8 s VAL 8 N -3.25 5.40 0.18 4.02 1.01 -1.26 -4.34 120.40 122.16 1sa8 s VAL 8 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 61.98 61.63 1sa8 s VAL 8 Cb -0.01 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 1sa8 s VAL 8 CO 0.02 0.35 1.11 0.61 0.00 0.00 0.00 175.10 177.18 1sa8 n GLY 9 N 1.03 -0.09 0.00 4.51 0.00 -1.26 -1.22 105.19 108.16 1sa8 n GLY 9 Ca -0.12 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 1.90 3.03 3.86 -0.02 0.00 -1.26 -5.01 105.19 107.69 1sa8 n GLY 10 Ca 0.15 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 3.67 0.02 0.99 1.43 -0.36 -4.84 118.68 119.59 1sa8 s LEU 11 Ca 0.00 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1sa8 s LEU 11 Cb 0.00 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1sa8 s LEU 11 CO 0.00 -0.31 -0.02 -1.59 0.23 0.00 0.00 176.35 174.65 1sa8 s LYS 12 N -3.99 0.28 -0.20 1.70 -2.85 -1.17 -4.37 119.74 109.14 1sa8 s LYS 12 Ca 0.40 -0.54 -0.13 0.00 -1.00 0.00 0.00 55.97 54.70 1sa8 s LYS 12 Cb -0.06 0.10 0.06 0.00 -2.06 0.00 0.00 37.83 35.87 1sa8 s LYS 12 CO 0.27 -0.05 0.49 -1.17 0.10 0.00 0.00 175.35 175.00 1sa8 s LEU 13 N -1.29 -0.24 -0.03 2.77 0.20 -1.25 -2.38 118.68 116.46 1sa8 s LEU 13 Ca -0.14 1.06 -0.01 0.00 0.69 0.00 0.00 54.13 55.73 1sa8 s LEU 13 Cb -0.09 1.67 0.03 0.00 -0.43 0.00 0.00 46.19 47.37 1sa8 s LEU 13 CO -0.01 -0.20 0.05 -0.89 -0.29 0.00 0.00 176.35 175.01 1sa8 s THR 14 N 1.18 -0.08 -0.18 3.68 2.01 -0.99 -0.94 115.64 120.32 1sa8 s THR 14 Ca -0.07 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 1sa8 s THR 14 Cb -0.06 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.35 1sa8 s THR 14 CO -0.11 0.12 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.14 1sa8 s ILE 15 N 1.42 2.42 0.04 1.82 1.01 -0.91 -0.03 121.20 126.96 1sa8 s ILE 15 Ca -0.05 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1sa8 s ILE 15 Cb -0.13 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1sa8 s ILE 15 CO -0.03 0.51 -0.23 -0.89 0.00 0.00 0.00 174.94 174.30 1sa8 s THR 16 N 1.23 1.86 -0.06 2.92 2.01 -0.75 -0.93 115.64 121.91 1sa8 s THR 16 Ca 0.03 -1.25 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 1sa8 s THR 16 Cb -0.14 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1sa8 s THR 16 CO -0.08 0.30 0.15 0.00 -0.69 0.00 0.00 174.62 174.29 1sa8 s GLN 17 N -1.13 0.16 0.00 4.92 1.03 -1.24 -1.58 119.66 121.82 1sa8 s GLN 17 Ca 0.09 0.25 0.00 0.00 0.04 0.00 0.00 55.36 55.74 1sa8 s GLN 17 Cb -0.09 0.02 0.00 0.00 0.03 0.00 0.00 33.01 32.97 1sa8 s GLN 17 CO 0.02 -0.05 0.00 0.39 -2.54 0.00 0.00 175.29 173.10 1sa8 n GLU 18 N 3.29 1.79 -0.19 9.60 -0.58 -1.10 -4.88 120.64 128.57 1sa8 n GLU 18 Ca -0.16 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.49 1sa8 n GLU 18 Cb 0.57 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.46 1sa8 n GLU 18 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1sa8 h GLY 19 N 0.00 1.05 -5.95 0.62 0.00 -2.06 -3.40 103.07 93.33 1sa8 h GLY 19 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 47.33 46.59 1sa8 h GLY 19 CO 0.00 0.72 -0.33 0.54 0.00 0.00 0.00 176.54 177.47 1sa8 s ASN 20 N -6.47 -1.35 -0.30 0.19 4.22 -1.26 -5.11 114.94 104.85 1sa8 s ASN 20 Ca -0.12 -0.11 -0.08 0.00 -2.14 0.00 0.00 52.86 50.41 1sa8 s ASN 20 Cb 0.13 1.80 0.18 0.00 1.28 0.00 0.00 41.25 44.64 1sa8 s ASN 20 CO 0.84 -0.22 0.91 -0.54 -2.04 0.00 0.00 177.10 176.06 1sa8 s LYS 21 N 2.53 0.29 -0.14 3.55 1.02 -1.26 -4.76 119.74 120.96 1sa8 s LYS 21 Ca 0.14 0.41 -0.05 0.00 0.02 0.00 0.00 55.97 56.49 1sa8 s LYS 21 Cb -0.06 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1sa8 s LYS 21 CO -0.20 -0.41 0.05 -0.06 -0.92 0.00 0.00 175.35 173.82 1sa8 s PHE 22 N 2.92 3.29 -0.01 3.18 0.40 -0.03 -2.71 117.98 125.02 1sa8 s PHE 22 Ca 0.12 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 1sa8 s PHE 22 Cb -0.08 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1sa8 s PHE 22 CO -0.18 0.37 -0.06 -0.08 0.70 0.00 0.00 175.22 175.98 1sa8 s THR 23 N -0.34 0.48 -0.12 0.64 -1.32 -0.61 0.01 115.64 114.37 1sa8 s THR 23 Ca 0.09 -0.22 0.03 0.00 -1.21 0.00 0.00 61.69 60.37 1sa8 s THR 23 Cb -0.12 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1sa8 s THR 23 CO 0.02 0.15 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.67 1sa8 s VAL 24 N 0.10 2.15 -0.38 5.08 1.01 0.15 -1.82 120.40 126.69 1sa8 s VAL 24 Ca -0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 1sa8 s VAL 24 Cb -0.05 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1sa8 s VAL 24 CO -0.00 0.55 0.24 -0.75 0.00 0.00 0.00 175.10 175.14 1sa8 s LYS 25 N 0.59 3.03 -0.08 2.72 2.20 0.95 0.20 119.74 129.36 1sa8 s LYS 25 Ca -0.12 -0.96 -0.03 0.00 -0.36 0.00 0.00 55.97 54.50 1sa8 s LYS 25 Cb -0.17 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1sa8 s LYS 25 CO 0.03 -0.65 0.07 -2.00 -0.36 0.00 0.00 175.35 172.44 1sa8 s GLU 26 N 1.63 3.15 -0.28 4.03 -6.30 0.13 -2.35 118.70 118.71 1sa8 s GLU 26 Ca 0.04 -0.34 -0.05 0.00 -2.50 0.00 0.00 54.97 52.12 1sa8 s GLU 26 Cb -0.19 -2.94 0.15 0.00 0.00 0.00 0.00 34.13 31.16 1sa8 s GLU 26 CO 0.08 0.71 0.57 -1.12 0.02 0.00 0.00 175.26 175.53 1sa8 s SER 27 N -1.16 -1.02 -0.22 -1.70 0.01 -1.00 -1.39 113.70 107.22 1sa8 s SER 27 Ca 0.16 1.05 -0.05 0.00 1.31 0.00 0.00 55.95 58.42 1sa8 s SER 27 Cb -0.12 2.02 0.11 0.00 0.21 0.00 0.00 66.02 68.25 1sa8 s SER 27 CO 0.06 -0.25 0.39 -0.44 0.41 0.00 0.00 173.24 173.41 1sa8 s SER 28 N 2.82 0.01 0.00 2.44 0.01 -1.19 -3.04 113.70 114.75 1sa8 s SER 28 Ca 0.09 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1sa8 s SER 28 Cb -0.14 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.30 1sa8 s SER 28 CO -0.19 -0.27 0.00 0.59 0.41 0.00 0.00 173.24 173.78 1sa8 n ASN 29 N 5.38 0.00 -2.70 2.44 4.13 -1.26 -3.01 115.26 120.24 1sa8 n ASN 29 Ca -0.06 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.13 1sa8 n ASN 29 Cb 0.50 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.85 1sa8 n ASN 29 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1sa8 n PHE 30 N 0.00 -2.10 -3.90 3.10 1.16 -1.26 -5.13 117.46 109.33 1sa8 n PHE 30 Ca 0.00 -1.99 -0.11 0.00 -1.87 0.00 0.00 57.45 53.48 1sa8 n PHE 30 Cb 0.00 1.41 -0.13 0.00 -1.61 0.00 0.00 39.48 39.15 1sa8 n PHE 30 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1sa8 s ARG 31 N -0.13 0.08 -0.29 3.97 0.52 -1.16 -5.12 118.95 116.82 1sa8 s ARG 31 Ca 0.22 -0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1sa8 s ARG 31 Cb 0.41 0.03 0.18 0.00 0.52 0.00 0.00 34.95 36.08 1sa8 s ARG 31 CO -0.08 -0.01 0.51 1.21 0.02 0.00 0.00 175.30 176.94 1sa8 s ASN 32 N -0.37 -0.69 -0.27 0.23 2.47 -1.25 -3.17 114.94 111.90 1sa8 s ASN 32 Ca -0.04 0.15 -0.24 0.00 0.42 0.00 0.00 52.86 53.15 1sa8 s ASN 32 Cb -0.03 1.64 0.08 0.00 -1.45 0.00 0.00 41.25 41.50 1sa8 s ASN 32 CO -0.00 -0.31 0.76 -0.51 -3.72 0.00 0.00 177.10 173.32 1sa8 s ILE 33 N 2.71 0.00 -0.04 -5.21 2.07 -0.48 -4.98 121.20 115.26 1sa8 s ILE 33 Ca 0.12 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1sa8 s ILE 33 Cb -0.12 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1sa8 s ILE 33 CO -0.25 0.00 -0.05 -1.81 -1.91 0.00 0.00 174.94 170.92 1sa8 s ASP 34 N 0.47 4.77 -0.22 4.50 1.11 -1.26 0.20 116.67 126.24 1sa8 s ASP 34 Ca -0.00 -0.03 -0.01 0.00 0.18 0.00 0.00 52.55 52.68 1sa8 s ASP 34 Cb -0.05 -1.20 0.02 0.00 1.07 0.00 0.00 42.92 42.75 1sa8 s ASP 34 CO -0.02 0.33 -0.10 -0.69 1.18 0.00 0.00 175.17 175.88 1sa8 s VAL 35 N -0.90 2.71 -0.10 -1.27 1.01 0.13 -4.91 120.40 117.06 1sa8 s VAL 35 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1sa8 s VAL 35 Cb -0.11 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1sa8 s VAL 35 CO 0.04 0.35 -0.09 0.54 0.00 0.00 0.00 175.10 175.94 1sa8 s VAL 36 N 1.34 3.43 -0.15 2.92 0.11 -1.26 0.29 120.40 127.08 1sa8 s VAL 36 Ca 0.03 -0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 1sa8 s VAL 36 Cb -0.15 -2.43 0.07 0.00 -1.53 0.00 0.00 36.38 32.34 1sa8 s VAL 36 CO -0.07 0.55 0.70 0.72 -3.33 0.00 0.00 175.10 173.67 1sa8 s PHE 37 N -0.18 -0.72 -0.03 1.54 -0.12 0.10 -4.99 117.98 113.59 1sa8 s PHE 37 Ca 0.01 1.49 -0.01 0.00 -0.05 0.00 0.00 56.93 58.37 1sa8 s PHE 37 Cb -0.13 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1sa8 s PHE 37 CO 0.03 -0.50 0.07 -1.21 -0.05 0.00 0.00 175.22 173.56 1sa8 s GLU 38 N -0.47 3.08 0.13 1.99 2.02 -1.26 -0.85 118.70 123.33 1sa8 s GLU 38 Ca -0.06 -0.44 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 1sa8 s GLU 38 Cb -0.02 -2.88 -0.11 0.00 0.10 0.00 0.00 34.13 31.23 1sa8 s GLU 38 CO 0.06 0.67 1.84 1.28 0.02 0.00 0.00 175.26 179.13 1sa8 n LEU 39 N 1.41 4.08 -1.47 1.80 4.32 -1.26 -2.53 117.00 123.35 1sa8 n LEU 39 Ca -0.15 0.99 -0.08 0.00 -0.02 0.00 0.00 56.01 56.75 1sa8 n LEU 39 Cb 0.53 -1.55 0.02 0.00 -1.62 0.00 0.00 43.42 40.80 1sa8 n LEU 39 CO 0.36 0.19 0.06 0.61 -1.22 0.00 0.00 177.39 177.39 1sa8 n GLY 40 N 4.24 0.39 3.15 -0.72 0.00 0.95 -5.00 105.19 108.20 1sa8 n GLY 40 Ca 0.18 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1sa8 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 41 N -3.01 1.02 -0.14 1.61 1.01 -1.05 -4.98 120.40 114.87 1sa8 s VAL 41 Ca 0.18 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 1sa8 s VAL 41 Cb -0.08 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1sa8 s VAL 41 CO 0.22 -0.19 0.09 -1.81 0.00 0.00 0.00 175.10 173.41 1sa8 s ASP 42 N -1.56 5.92 0.06 3.32 1.11 -1.26 -2.55 116.67 121.71 1sa8 s ASP 42 Ca -0.02 0.27 0.05 0.00 0.18 0.00 0.00 52.55 53.02 1sa8 s ASP 42 Cb -0.09 -1.92 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 1sa8 s ASP 42 CO 0.02 0.31 -0.13 -0.36 1.18 0.00 0.00 175.17 176.19 1sa8 s PHE 43 N -0.45 1.14 -0.20 4.23 0.40 0.94 -4.94 117.98 119.11 1sa8 s PHE 43 Ca 0.11 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1sa8 s PHE 43 Cb -0.12 -0.65 0.07 0.00 0.51 0.00 0.00 43.02 42.83 1sa8 s PHE 43 CO 0.02 0.04 0.10 0.00 0.70 0.00 0.00 175.22 176.07 1sa8 s ALA 44 N -1.19 0.50 0.25 5.36 0.00 -1.25 -0.27 121.76 125.16 1sa8 s ALA 44 Ca -0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 1sa8 s ALA 44 Cb -0.09 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1sa8 s ALA 44 CO 0.02 -1.28 0.66 1.52 0.00 0.00 0.00 175.76 176.67 1sa8 s TYR 45 N 2.11 -0.15 -0.26 0.00 -0.85 -0.99 -4.98 117.35 112.24 1sa8 s TYR 45 Ca 0.04 -0.26 -0.11 0.00 -0.52 0.00 0.00 57.07 56.22 1sa8 s TYR 45 Cb -0.16 0.60 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 1sa8 s TYR 45 CO -0.15 -1.13 0.17 0.45 -1.52 0.00 0.00 175.55 173.37 1sa8 s SER 46 N -2.91 6.08 -0.12 -0.18 0.15 -1.26 -1.13 113.70 114.34 1sa8 s SER 46 Ca 0.11 0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 1sa8 s SER 46 Cb -0.04 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1sa8 s SER 46 CO 0.04 0.02 0.06 -0.76 1.20 0.00 0.00 173.24 173.80 1sa8 s LEU 47 N 1.33 3.92 -1.43 3.45 1.43 0.21 -4.39 118.68 123.20 1sa8 s LEU 47 Ca 0.07 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1sa8 s LEU 47 Cb -0.14 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1sa8 s LEU 47 CO 0.07 0.35 0.05 0.00 0.23 0.00 0.00 176.35 177.05 1sa8 n ALA 48 N 2.37 -0.73 -3.78 4.21 0.00 -1.26 -1.76 120.51 119.56 1sa8 n ALA 48 Ca -0.19 0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.14 1sa8 n ALA 48 Cb 0.54 -2.00 0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.96 -3.53 0.10 0.00 8.00 -1.26 -4.68 116.55 113.22 1sa8 n ASP 49 Ca -0.19 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1sa8 n ASP 49 Cb 0.65 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -1.66 -1.34 3.64 0.44 0.00 -0.96 -5.10 105.19 100.21 1sa8 n GLY 50 Ca -0.10 0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 4.08 -0.53 2.61 -4.23 -0.72 -4.84 115.64 110.01 1sa8 s THR 51 Ca 0.00 1.24 -0.09 0.00 -1.18 0.00 0.00 61.69 61.65 1sa8 s THR 51 Cb 0.00 -4.02 0.14 0.00 1.34 0.00 0.00 72.50 69.96 1sa8 s THR 51 CO 0.00 -0.35 0.41 -1.61 -0.54 0.00 0.00 174.62 172.53 1sa8 s GLU 52 N 4.10 2.64 -0.19 3.99 2.02 -1.26 0.67 118.70 130.68 1sa8 s GLU 52 Ca 0.59 -1.92 -0.07 0.00 0.02 0.00 0.00 54.97 53.59 1sa8 s GLU 52 Cb -0.20 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 1sa8 s GLU 52 CO 0.22 -1.21 0.06 -0.51 0.02 0.00 0.00 175.26 173.84 1sa8 s LEU 53 N 1.10 3.74 -0.31 1.80 1.02 -0.28 -2.53 118.68 123.21 1sa8 s LEU 53 Ca 0.08 0.04 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 1sa8 s LEU 53 Cb -0.24 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.06 1sa8 s LEU 53 CO -0.02 0.16 0.06 -0.89 0.02 0.00 0.00 176.35 175.68 1sa8 s THR 54 N 0.47 3.51 0.07 5.49 2.01 -0.57 -2.35 115.64 124.28 1sa8 s THR 54 Ca 0.03 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.65 1sa8 s THR 54 Cb -0.13 -2.94 0.08 0.00 0.01 0.00 0.00 72.50 69.52 1sa8 s THR 54 CO 0.01 -0.08 0.94 -0.83 -0.69 0.00 0.00 174.62 173.97 1sa8 s GLY 55 N 1.37 -0.35 0.01 4.40 0.00 0.63 -0.03 107.32 113.34 1sa8 s GLY 55 Ca -0.02 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.30 1sa8 s GLY 55 CO 0.01 0.16 -0.05 -1.08 0.00 0.00 0.00 173.10 172.14 1sa8 s THR 56 N -3.18 3.75 -0.08 0.90 -1.32 -1.14 -0.04 115.64 114.53 1sa8 s THR 56 Ca 0.09 -0.76 0.02 0.00 -1.21 0.00 0.00 61.69 59.83 1sa8 s THR 56 Cb -0.01 -2.65 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 1sa8 s THR 56 CO -0.03 0.37 -0.14 0.86 -2.21 0.00 0.00 174.62 173.47 1sa8 s TRP 57 N -1.03 2.75 -0.01 9.09 -0.11 -1.06 -2.04 118.94 126.53 1sa8 s TRP 57 Ca 0.18 -0.33 0.01 0.00 1.22 0.00 0.00 56.10 57.17 1sa8 s TRP 57 Cb -0.11 -1.71 0.01 0.00 -1.50 0.00 0.00 33.47 30.16 1sa8 s TRP 57 CO 0.09 0.04 -0.01 0.95 -4.62 0.00 0.00 176.95 173.40 1sa8 s THR 58 N -0.33 0.16 -0.32 5.86 -4.23 0.14 -0.03 115.64 116.90 1sa8 s THR 58 Ca 0.03 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.46 1sa8 s THR 58 Cb -0.13 -0.19 0.01 0.00 1.34 0.00 0.00 72.50 73.53 1sa8 s THR 58 CO 0.02 0.09 0.11 -0.32 -0.54 0.00 0.00 174.62 173.99 1sa8 s MET 59 N 0.43 3.00 -0.45 3.99 1.75 -1.26 -1.49 119.30 125.28 1sa8 s MET 59 Ca -0.04 -0.93 -0.12 0.00 -1.25 0.00 0.00 55.69 53.35 1sa8 s MET 59 Cb -0.07 -3.47 0.08 0.00 2.84 0.00 0.00 34.83 34.22 1sa8 s MET 59 CO -0.01 -0.52 0.33 -1.21 -0.65 0.00 0.00 175.02 172.97 1sa8 s GLU 60 N 1.51 2.78 7.70 4.11 0.41 -0.20 -4.89 118.70 130.12 1sa8 s GLU 60 Ca 0.02 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1sa8 s GLU 60 Cb -0.18 -3.96 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 1sa8 s GLU 60 CO 0.04 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.21 1sa8 n GLY 61 N 5.05 3.60 2.23 -1.39 0.00 -1.26 -0.75 105.19 112.67 1sa8 n GLY 61 Ca -0.11 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 9.39 6.69 -4.21 1.61 0.23 -1.26 -4.93 115.26 122.78 1sa8 n ASN 62 Ca 0.00 -3.78 -0.31 0.00 -0.53 0.00 0.00 54.58 49.96 1sa8 n ASN 62 Cb 0.00 -0.75 -0.17 0.00 -2.08 0.00 0.00 39.78 36.78 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 -3.75 2.81 -0.31 -3.83 3.01 0.07 -0.62 119.74 117.12 1sa8 s LYS 63 Ca 0.60 -0.84 -0.05 0.00 -1.01 0.00 0.00 55.97 54.66 1sa8 s LYS 63 Cb 0.47 -2.18 0.03 0.00 -1.01 0.00 0.00 37.83 35.14 1sa8 s LYS 63 CO -0.00 0.21 0.06 -0.51 0.51 0.00 0.00 175.35 175.62 1sa8 s LEU 64 N 0.26 3.99 -0.08 3.17 1.43 0.21 -1.04 118.68 126.62 1sa8 s LEU 64 Ca -0.15 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1sa8 s LEU 64 Cb -0.17 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1sa8 s LEU 64 CO 0.07 -0.26 -0.04 -0.69 0.23 0.00 0.00 176.35 175.66 1sa8 s VAL 65 N 1.40 0.68 -0.06 -1.59 1.01 -0.55 -0.15 120.40 121.13 1sa8 s VAL 65 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1sa8 s VAL 65 Cb -0.19 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1sa8 s VAL 65 CO 0.01 0.29 0.12 -0.83 0.00 0.00 0.00 175.10 174.69 1sa8 s GLY 66 N 1.52 0.10 -0.43 4.51 0.00 -0.55 0.28 107.32 112.75 1sa8 s GLY 66 Ca -0.01 0.43 -0.10 0.00 0.00 0.00 0.00 44.72 45.05 1sa8 s GLY 66 CO -0.04 1.42 0.28 1.25 0.00 0.00 0.00 173.10 176.01 1sa8 s LYS 67 N 2.02 2.64 0.09 2.90 2.20 -0.87 -1.93 119.74 126.80 1sa8 s LYS 67 Ca 0.01 -1.46 0.08 0.00 -0.36 0.00 0.00 55.97 54.24 1sa8 s LYS 67 Cb -0.12 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1sa8 s LYS 67 CO -0.05 -0.97 -0.15 -0.06 -0.36 0.00 0.00 175.35 173.76 1sa8 s PHE 68 N 1.45 2.62 -0.33 4.03 0.40 -0.97 -2.89 117.98 122.29 1sa8 s PHE 68 Ca 0.03 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 1sa8 s PHE 68 Cb -0.23 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 1sa8 s PHE 68 CO 0.02 0.37 0.17 0.21 0.70 0.00 0.00 175.22 176.70 1sa8 s LYS 69 N -1.96 3.27 -1.34 0.44 2.20 0.95 0.37 119.74 123.68 1sa8 s LYS 69 Ca 0.18 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.91 1sa8 s LYS 69 Cb -0.11 -3.63 0.12 0.00 -1.51 0.00 0.00 37.83 32.71 1sa8 s LYS 69 CO 0.10 -0.47 1.96 -2.13 -0.36 0.00 0.00 175.35 174.45 1sa8 n ARG 70 N 5.00 3.32 0.17 4.03 0.00 -1.21 -1.50 116.66 126.47 1sa8 n ARG 70 Ca -0.13 -3.22 0.19 0.00 -0.00 0.00 0.00 57.85 54.69 1sa8 n ARG 70 Cb 0.49 -3.09 0.80 0.00 0.00 0.00 0.00 32.46 30.66 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 3.98 0.35 -0.35 5.15 3.04 -1.74 0.25 116.25 126.93 1sa8 h VAL 71 Ca 0.45 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.22 1sa8 h VAL 71 Cb 0.66 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 1sa8 h VAL 71 CO 1.68 0.00 0.24 -0.78 -1.01 0.00 0.00 177.57 177.70 1sa8 h ASP 72 N 0.00 0.12 0.00 3.17 3.58 -1.86 -3.43 116.42 118.00 1sa8 h ASP 72 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1sa8 h ASP 72 Cb 0.79 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1sa8 h ASP 72 CO -0.00 0.08 0.00 -3.20 -2.88 0.00 0.00 179.24 173.24 1sa8 n ASN 73 N -4.47 0.00 0.13 2.28 5.15 -0.47 -5.00 115.26 112.88 1sa8 n ASN 73 Ca 0.05 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.08 1sa8 n ASN 73 Cb 0.32 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1sa8 n ASN 73 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1sa8 h GLY 74 N 0.00 0.00 0.00 8.20 0.00 -1.19 -3.48 103.07 106.60 1sa8 h GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sa8 h GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1sa8 n LYS 75 N -3.04 0.00 -3.36 4.80 3.00 0.64 -4.46 118.16 115.74 1sa8 n LYS 75 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1sa8 n LYS 75 Cb 0.68 -0.10 -0.08 0.00 0.00 0.00 0.00 35.03 35.53 1sa8 n LYS 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1sa8 s GLU 76 N 0.00 0.34 -0.33 1.64 2.02 -1.26 -3.34 118.70 117.77 1sa8 s GLU 76 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1sa8 s GLU 76 Cb 0.00 -0.52 0.08 0.00 0.10 0.00 0.00 34.13 33.79 1sa8 s GLU 76 CO 0.00 -0.67 0.05 -1.17 0.02 0.00 0.00 175.26 173.49 1sa8 s LEU 77 N 2.53 4.41 -0.20 1.80 2.96 0.16 -0.48 118.68 129.86 1sa8 s LEU 77 Ca 0.12 -1.71 -0.05 0.00 -0.22 0.00 0.00 54.13 52.27 1sa8 s LEU 77 Cb -0.15 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1sa8 s LEU 77 CO -0.17 -0.36 0.00 -0.63 -1.32 0.00 0.00 176.35 173.88 1sa8 s ILE 78 N 1.12 3.94 -0.22 6.68 1.01 0.63 -2.29 121.20 132.07 1sa8 s ILE 78 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1sa8 s ILE 78 Cb -0.20 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1sa8 s ILE 78 CO -0.04 0.42 0.08 0.00 0.00 0.00 0.00 174.94 175.41 1sa8 s ALA 79 N 1.05 3.33 -0.08 9.38 0.00 -0.81 0.11 121.76 134.74 1sa8 s ALA 79 Ca 0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1sa8 s ALA 79 Cb -0.14 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.96 1sa8 s ALA 79 CO 0.02 -0.17 0.20 0.14 0.00 0.00 0.00 175.76 175.94 1sa8 s VAL 80 N 1.03 -0.04 -0.11 0.00 -7.23 0.18 -1.48 120.40 112.76 1sa8 s VAL 80 Ca 0.05 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 1sa8 s VAL 80 Cb -0.14 -0.31 0.11 0.00 0.56 0.00 0.00 36.38 36.60 1sa8 s VAL 80 CO 0.03 0.06 0.91 -0.60 -0.31 0.00 0.00 175.10 175.20 1sa8 s ARG 81 N 1.15 0.74 0.31 4.82 6.06 0.79 -3.06 118.95 129.75 1sa8 s ARG 81 Ca -0.09 0.08 0.07 0.00 -2.50 0.00 0.00 55.73 53.29 1sa8 s ARG 81 Cb -0.10 0.35 -0.02 0.00 0.06 0.00 0.00 34.95 35.23 1sa8 s ARG 81 CO -0.07 -0.25 0.33 -1.83 -2.50 0.00 0.00 175.30 170.98 1sa8 s GLU 82 N -1.52 2.96 -0.23 5.12 -1.05 -1.26 0.66 118.70 123.38 1sa8 s GLU 82 Ca -0.02 -1.10 -0.09 0.00 -0.15 0.00 0.00 54.97 53.60 1sa8 s GLU 82 Cb -0.00 -2.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 1sa8 s GLU 82 CO 0.01 0.19 0.12 0.42 0.95 0.00 0.00 175.26 176.95 1sa8 s ILE 83 N -2.20 5.02 -0.40 1.83 -1.09 0.21 -4.59 121.20 119.98 1sa8 s ILE 83 Ca 0.40 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.76 1sa8 s ILE 83 Cb -0.08 -3.33 0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1sa8 s ILE 83 CO 0.28 0.37 0.25 -0.44 -1.23 0.00 0.00 174.94 174.17 1sa8 s SER 84 N 1.01 5.84 1.79 3.58 0.01 -1.23 -4.93 113.70 119.76 1sa8 s SER 84 Ca 0.06 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1sa8 s SER 84 Cb -0.14 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1sa8 s SER 84 CO 0.04 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1sa8 n GLY 85 N 5.04 4.14 2.92 3.44 0.00 -1.26 -2.65 105.19 116.82 1sa8 n GLY 85 Ca -0.11 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1sa8 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sa8 s ASN 86 N -4.00 4.38 -0.19 1.61 0.01 -1.26 -5.03 114.94 110.46 1sa8 s ASN 86 Ca 0.00 -2.37 -0.29 0.00 -0.71 0.00 0.00 52.86 49.48 1sa8 s ASN 86 Cb 0.00 -1.43 0.14 0.00 0.41 0.00 0.00 41.25 40.36 1sa8 s ASN 86 CO 0.00 -0.33 1.06 -1.83 -1.51 0.00 0.00 177.10 174.48 1sa8 s GLU 87 N 0.62 0.51 -0.14 -0.60 -1.05 -1.08 -4.16 118.70 112.79 1sa8 s GLU 87 Ca 0.13 0.17 0.02 0.00 -0.15 0.00 0.00 54.97 55.14 1sa8 s GLU 87 Cb -0.21 0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1sa8 s GLU 87 CO -0.07 -0.15 -0.18 -1.17 0.95 0.00 0.00 175.26 174.63 1sa8 s LEU 88 N -0.95 1.92 0.18 1.83 2.96 -0.90 -3.57 118.68 120.14 1sa8 s LEU 88 Ca 0.00 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 1sa8 s LEU 88 Cb -0.01 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1sa8 s LEU 88 CO -0.01 0.03 0.18 -0.63 -1.32 0.00 0.00 176.35 174.59 1sa8 s ILE 89 N 1.05 4.63 -0.12 6.68 1.09 -1.26 -0.80 121.20 132.47 1sa8 s ILE 89 Ca -0.03 -1.07 -0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1sa8 s ILE 89 Cb -0.14 -3.39 0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1sa8 s ILE 89 CO -0.05 -0.15 0.02 -1.58 -0.10 0.00 0.00 174.94 173.07 1sa8 s GLN 90 N -3.27 0.63 -0.19 2.79 2.00 -0.05 -4.81 119.66 116.76 1sa8 s GLN 90 Ca 0.32 -0.11 -0.06 0.00 -2.00 0.00 0.00 55.36 53.50 1sa8 s GLN 90 Cb -0.10 -1.47 -0.03 0.00 0.80 0.00 0.00 33.01 32.21 1sa8 s GLN 90 CO 0.25 -0.45 0.03 0.99 -0.50 0.00 0.00 175.29 175.60 1sa8 s THR 91 N 1.93 4.36 -0.32 -0.34 2.01 -1.17 -1.67 115.64 120.44 1sa8 s THR 91 Ca 0.03 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 1sa8 s THR 91 Cb -0.14 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.40 1sa8 s THR 91 CO -0.07 0.45 0.17 -0.31 -0.69 0.00 0.00 174.62 174.17 1sa8 s TYR 92 N 0.62 3.19 -0.50 4.92 1.51 0.12 -0.64 117.35 126.57 1sa8 s TYR 92 Ca 0.01 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.30 1sa8 s TYR 92 Cb -0.14 -2.38 0.09 0.00 -0.11 0.00 0.00 41.96 39.42 1sa8 s TYR 92 CO 0.02 -0.48 0.46 0.99 -1.11 0.00 0.00 175.55 175.43 1sa8 s THR 93 N 1.61 5.18 -0.20 -0.71 2.01 0.30 -1.62 115.64 122.21 1sa8 s THR 93 Ca 0.04 -1.14 -0.04 0.00 0.31 0.00 0.00 61.69 60.87 1sa8 s THR 93 Cb -0.17 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1sa8 s THR 93 CO 0.07 -0.71 -0.05 -0.47 -0.69 0.00 0.00 174.62 172.77 1sa8 s TYR 94 N 1.76 2.96 0.00 4.92 5.04 0.51 -0.27 117.35 132.27 1sa8 s TYR 94 Ca 0.05 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 1sa8 s TYR 94 Cb -0.25 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1sa8 s TYR 94 CO 0.06 -0.44 0.00 -1.91 -1.34 0.00 0.00 175.55 171.92 1sa8 n GLU 95 N 4.50 0.00 -0.47 4.97 2.13 0.37 -1.78 120.64 130.36 1sa8 n GLU 95 Ca -0.18 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.63 1sa8 n GLU 95 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.21 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 0.04 3.02 8.31 0.00 -1.26 -4.95 105.19 110.35 1sa8 n GLY 96 Ca 0.00 0.00 -0.19 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 0.00 0.72 -0.14 1.61 -7.23 -0.73 -5.14 120.40 109.49 1sa8 s VAL 97 Ca 0.00 -0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 1sa8 s VAL 97 Cb 0.00 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1sa8 s VAL 97 CO 0.00 0.20 0.02 -1.83 -0.31 0.00 0.00 175.10 173.18 1sa8 s GLU 98 N -0.17 3.50 -0.04 4.82 1.03 -1.26 -0.37 118.70 126.22 1sa8 s GLU 98 Ca 0.03 -0.41 0.01 0.00 0.03 0.00 0.00 54.97 54.63 1sa8 s GLU 98 Cb -0.04 -2.97 0.02 0.00 -0.80 0.00 0.00 34.13 30.34 1sa8 s GLU 98 CO -0.00 0.45 -0.02 0.00 -1.33 0.00 0.00 175.26 174.36 1sa8 s ALA 99 N -0.17 0.49 0.01 -0.84 0.00 -0.64 -4.97 121.76 115.64 1sa8 s ALA 99 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1sa8 s ALA 99 Cb -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1sa8 s ALA 99 CO 0.02 -0.05 -0.10 -1.59 0.00 0.00 0.00 175.76 174.04 1sa8 s LYS 100 N 0.97 0.75 0.03 0.00 -2.85 -1.26 0.10 119.74 117.48 1sa8 s LYS 100 Ca -0.10 -0.45 0.09 0.00 -1.00 0.00 0.00 55.97 54.51 1sa8 s LYS 100 Cb -0.14 -0.71 -0.03 0.00 -2.06 0.00 0.00 37.83 34.90 1sa8 s LYS 100 CO -0.01 0.19 -0.26 0.50 0.10 0.00 0.00 175.35 175.87 1sa8 s ARG 101 N -0.52 1.89 -0.16 1.78 6.06 -0.67 -4.92 118.95 122.41 1sa8 s ARG 101 Ca 0.02 -1.06 -0.07 0.00 -2.50 0.00 0.00 55.73 52.11 1sa8 s ARG 101 Cb -0.05 -2.00 -0.04 0.00 0.06 0.00 0.00 34.95 32.92 1sa8 s ARG 101 CO 0.00 0.53 0.10 -1.50 -2.50 0.00 0.00 175.30 171.92 1sa8 s ILE 102 N -0.75 5.12 0.20 4.11 2.07 -1.26 -0.87 121.20 129.82 1sa8 s ILE 102 Ca 0.11 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 1sa8 s ILE 102 Cb -0.10 -3.27 -0.05 0.00 0.13 0.00 0.00 42.46 39.17 1sa8 s ILE 102 CO 0.01 0.52 0.05 -0.36 -1.91 0.00 0.00 174.94 173.25 1sa8 s PHE 103 N -0.21 1.31 0.11 3.50 0.08 0.02 -4.86 117.98 117.94 1sa8 s PHE 103 Ca 0.09 -1.11 0.04 0.00 0.12 0.00 0.00 56.93 56.07 1sa8 s PHE 103 Cb -0.12 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 1sa8 s PHE 103 CO 0.01 -0.29 -0.10 -1.59 -0.10 0.00 0.00 175.22 173.15 1sa8 s LYS 104 N -3.98 0.92 -0.14 0.44 0.00 -1.26 -2.11 119.74 113.61 1sa8 s LYS 104 Ca 0.30 -1.28 -0.29 0.00 0.00 0.00 0.00 55.97 54.69 1sa8 s LYS 104 Cb 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 37.83 37.33 1sa8 s LYS 104 CO 0.08 0.07 1.67 0.21 0.00 0.00 0.00 175.35 177.38 1sa8 s LYS 105 N -3.26 3.95 0.00 1.78 2.20 -1.26 -0.71 119.74 122.44 1sa8 s LYS 105 Ca 0.10 1.95 0.09 0.00 -0.36 0.00 0.00 55.97 57.75 1sa8 s LYS 105 Cb 0.00 -4.03 0.56 0.00 -1.51 0.00 0.00 37.83 32.85 1sa8 s LYS 105 CO -0.00 -1.12 1.01 0.39 -0.36 0.00 0.00 175.35 175.27