#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se8 n GLY 4 N 0.00 0.22 0.00 5.14 0.00 -1.26 -4.70 105.19 104.59 1se8 n GLY 4 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1se8 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1se8 n ASN 6 N -0.17 0.00 -3.88 1.61 2.85 -1.25 -4.91 115.26 109.51 1se8 n ASN 6 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1se8 n ASN 6 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1se8 n ASN 6 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1se8 s HIS 7 N 0.00 0.49 -0.05 1.20 3.76 -0.31 -4.56 115.29 115.82 1se8 s HIS 7 Ca 0.00 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1se8 s HIS 7 Cb 0.00 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.24 1se8 s HIS 7 CO 0.00 -0.11 -0.13 0.08 -0.85 0.00 0.00 174.74 173.73 1se8 s VAL 8 N 0.64 1.16 -0.12 -0.90 1.01 -0.37 -1.09 120.40 120.73 1se8 s VAL 8 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1se8 s VAL 8 Cb -0.11 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1se8 s VAL 8 CO -0.01 0.35 -0.20 -0.31 0.00 0.00 0.00 175.10 174.94 1se8 s TYR 9 N 0.42 2.36 -0.03 5.22 2.02 0.46 -0.68 117.35 127.12 1se8 s TYR 9 Ca -0.10 -1.12 0.04 0.00 -0.37 0.00 0.00 57.07 55.52 1se8 s TYR 9 Cb -0.13 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1se8 s TYR 9 CO 0.03 -0.52 -0.14 -0.51 -1.57 0.00 0.00 175.55 172.83 1se8 s LEU 10 N 0.80 1.91 -0.17 -1.29 1.43 -0.29 -1.20 118.68 119.87 1se8 s LEU 10 Ca -0.09 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1se8 s LEU 10 Cb -0.16 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1se8 s LEU 10 CO 0.00 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 175.91 1se8 s ILE 11 N -0.03 1.89 0.37 -0.59 1.01 -1.26 -0.57 121.20 122.02 1se8 s ILE 11 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1se8 s ILE 11 Cb -0.09 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.69 1se8 s ILE 11 CO 0.01 0.48 0.76 -0.83 0.00 0.00 0.00 174.94 175.36 1se8 s GLY 12 N 1.35 0.43 0.14 6.18 0.00 -0.87 -4.56 107.32 109.98 1se8 s GLY 12 Ca 0.04 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 1se8 s GLY 12 CO -0.12 -0.35 0.44 0.00 0.00 0.00 0.00 173.10 173.07 1se8 s ALA 13 N -2.48 3.69 -0.05 3.20 0.00 -0.12 -0.57 121.76 125.43 1se8 s ALA 13 Ca 0.16 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1se8 s ALA 13 Cb -0.05 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1se8 s ALA 13 CO 0.12 0.57 1.49 -0.51 0.00 0.00 0.00 175.76 177.43 1se8 s LEU 14 N -2.34 4.29 0.35 0.00 1.43 0.33 -0.27 118.68 122.48 1se8 s LEU 14 Ca 0.39 2.10 0.15 0.00 -1.03 0.00 0.00 54.13 55.74 1se8 s LEU 14 Cb -0.13 -3.55 0.63 0.00 0.03 0.00 0.00 46.19 43.18 1se8 s LEU 14 CO 0.21 -0.82 1.74 0.00 0.23 0.00 0.00 176.35 177.71 1se8 h ALA 15 N 8.62 1.13 -2.99 4.21 0.00 -0.84 0.11 119.26 129.49 1se8 h ALA 15 Ca -0.36 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1se8 h ALA 15 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1se8 h ALA 15 CO 0.94 0.55 0.21 -0.98 0.00 0.00 0.00 179.25 179.97 1se8 s ARG 16 N -3.82 2.19 0.15 0.00 1.70 -1.26 -1.91 118.95 116.00 1se8 s ARG 16 Ca -0.01 -1.49 -0.34 0.00 -0.47 0.00 0.00 55.73 53.42 1se8 s ARG 16 Cb 0.13 0.60 -0.14 0.00 -0.57 0.00 0.00 34.95 34.97 1se8 s ARG 16 CO 0.72 -1.01 1.60 -0.25 -1.08 0.00 0.00 175.30 175.28 1se8 n ASP 17 N -1.41 3.15 -4.65 -2.89 8.00 -1.26 -3.73 116.55 113.76 1se8 n ASP 17 Ca -0.07 1.08 -0.29 0.00 0.71 0.00 0.00 54.79 56.21 1se8 n ASP 17 Cb 0.60 -1.43 0.17 0.00 -0.02 0.00 0.00 41.12 40.44 1se8 n ASP 17 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1se8 s PRO 18 N 1.09 0.64 -0.03 -0.24 0.02 -1.26 -4.87 135.00 130.34 1se8 s PRO 18 Ca 0.79 0.91 0.04 0.00 0.02 0.00 0.00 61.00 62.76 1se8 s PRO 18 Cb -0.67 -1.73 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 1se8 s PRO 18 CO 0.38 -2.69 -0.15 -1.21 -0.33 0.00 0.00 177.00 173.00 1se8 s GLU 19 N -4.78 1.55 -0.26 5.54 2.02 -0.11 -4.99 118.70 117.67 1se8 s GLU 19 Ca 0.65 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 55.00 1se8 s GLU 19 Cb -0.20 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 1se8 s GLU 19 CO 0.59 0.24 0.14 -1.17 0.02 0.00 0.00 175.26 175.07 1se8 s LEU 20 N -0.00 3.82 0.00 1.80 2.96 -1.26 -0.78 118.68 125.22 1se8 s LEU 20 Ca -0.02 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1se8 s LEU 20 Cb -0.10 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1se8 s LEU 20 CO 0.01 -0.02 0.05 0.54 -1.32 0.00 0.00 176.35 175.61 1se8 n ARG 21 N 4.86 0.51 -4.16 1.98 5.12 -0.16 -5.00 116.66 119.83 1se8 n ARG 21 Ca -0.15 -0.75 -0.16 0.00 -1.93 0.00 0.00 57.85 54.86 1se8 n ARG 21 Cb 0.52 0.50 -0.11 0.00 -1.16 0.00 0.00 32.46 32.20 1se8 n ARG 21 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1se8 s TYR 22 N -2.06 1.07 0.86 -1.55 1.51 -1.26 -0.11 117.35 115.81 1se8 s TYR 22 Ca 0.06 -0.54 -0.12 0.00 -1.01 0.00 0.00 57.07 55.46 1se8 s TYR 22 Cb 0.00 -0.60 0.11 0.00 -0.11 0.00 0.00 41.96 41.37 1se8 s TYR 22 CO 0.05 0.02 1.15 0.95 -1.11 0.00 0.00 175.55 176.60 1se8 s THR 23 N -1.78 2.07 0.59 -0.71 -4.23 -1.26 -4.91 115.64 105.41 1se8 s THR 23 Ca 0.00 0.02 0.30 0.00 -1.18 0.00 0.00 61.69 60.83 1se8 s THR 23 Cb -0.07 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.26 1se8 s THR 23 CO 0.01 -0.03 2.15 1.23 -0.54 0.00 0.00 174.62 177.45 1se8 h GLY 24 N -1.30 0.00 -0.14 3.99 0.00 -2.05 -0.89 103.07 102.68 1se8 h GLY 24 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1se8 h GLY 24 CO 0.63 0.00 -0.04 0.70 0.00 0.00 0.00 176.54 177.83 1se8 n ASN 25 N -3.77 1.22 -0.65 0.19 4.13 -1.26 -5.24 115.26 109.90 1se8 n ASN 25 Ca -0.00 -1.31 0.00 0.00 1.68 0.00 0.00 54.58 54.95 1se8 n ASN 25 Cb 0.24 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1se8 n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1se8 n GLY 26 N 1.19 -0.84 3.18 7.41 0.00 -0.34 -5.23 105.19 110.55 1se8 n GLY 26 Ca 0.18 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1se8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se8 s ALA 28 N -0.15 1.72 -0.11 4.61 0.00 -1.26 -4.73 121.76 121.83 1se8 s ALA 28 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 1se8 s ALA 28 Cb 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1se8 s ALA 28 CO 0.00 0.33 -0.02 0.08 0.00 0.00 0.00 175.76 176.16 1se8 s VAL 29 N -0.09 0.65 -0.21 0.00 1.01 0.84 -0.72 120.40 121.88 1se8 s VAL 29 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1se8 s VAL 29 Cb -0.12 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1se8 s VAL 29 CO 0.02 0.19 0.24 0.12 0.00 0.00 0.00 175.10 175.67 1se8 s PHE 30 N 1.85 3.36 -0.09 5.22 5.36 0.26 -0.98 117.98 132.96 1se8 s PHE 30 Ca 0.03 0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.42 1se8 s PHE 30 Cb -0.14 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.22 1se8 s PHE 30 CO -0.07 0.09 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.44 1se8 s GLU 31 N 0.97 1.96 0.04 10.12 2.02 0.04 -1.03 118.70 132.83 1se8 s GLU 31 Ca 0.12 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1se8 s GLU 31 Cb -0.13 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 1se8 s GLU 31 CO 0.05 -0.01 -0.07 0.00 0.02 0.00 0.00 175.26 175.24 1se8 s ALA 32 N 0.83 0.54 -0.25 5.21 0.00 -0.57 -0.93 121.76 126.59 1se8 s ALA 32 Ca -0.11 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1se8 s ALA 32 Cb -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1se8 s ALA 32 CO 0.01 -0.02 0.11 0.99 0.00 0.00 0.00 175.76 176.85 1se8 s THR 33 N -1.33 4.72 -0.17 0.00 2.01 -1.26 0.21 115.64 119.82 1se8 s THR 33 Ca -0.10 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.79 1se8 s THR 33 Cb -0.10 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1se8 s THR 33 CO 0.00 0.33 0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 1se8 s VAL 34 N 1.47 4.93 -0.00 3.82 1.01 -0.01 -0.38 120.40 131.24 1se8 s VAL 34 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1se8 s VAL 34 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1se8 s VAL 34 CO 0.06 0.50 -0.00 0.00 0.00 0.00 0.00 175.10 175.65 1se8 s ALA 35 N 0.03 0.10 0.36 5.51 0.00 0.63 -0.94 121.76 127.45 1se8 s ALA 35 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1se8 s ALA 35 Cb -0.12 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1se8 s ALA 35 CO 0.01 -0.00 0.70 0.20 0.00 0.00 0.00 175.76 176.67 1se8 s GLY 36 N 0.17 0.58 -0.03 0.00 0.00 -0.35 -0.94 107.32 106.75 1se8 s GLY 36 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1se8 s GLY 36 CO -0.00 -0.45 0.07 -1.83 0.00 0.00 0.00 173.10 170.88 1se8 s GLU 37 N -2.68 0.04 0.03 2.90 -1.05 -1.26 -0.26 118.70 116.42 1se8 s GLU 37 Ca 0.19 0.18 0.04 0.00 -0.15 0.00 0.00 54.97 55.23 1se8 s GLU 37 Cb -0.04 -0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.51 1se8 s GLU 37 CO 0.13 -0.10 -0.07 -0.51 0.95 0.00 0.00 175.26 175.66 1se8 s ASP 38 N 0.64 4.62 -0.71 0.83 1.01 -1.21 -1.98 116.67 119.86 1se8 s ASP 38 Ca -0.05 -0.19 -0.27 0.00 0.71 0.00 0.00 52.55 52.76 1se8 s ASP 38 Cb -0.07 -1.05 0.01 0.00 1.01 0.00 0.00 42.92 42.82 1se8 s ASP 38 CO -0.02 0.26 1.51 0.00 0.21 0.00 0.00 175.17 177.12 1se8 s ARG 39 N -1.61 2.99 -0.13 8.23 1.70 -1.26 -3.37 118.95 125.50 1se8 s ARG 39 Ca 0.18 0.03 0.05 0.00 -0.47 0.00 0.00 55.73 55.53 1se8 s ARG 39 Cb -0.11 -4.31 0.16 0.00 -0.57 0.00 0.00 34.95 30.11 1se8 s ARG 39 CO 0.09 -2.39 0.89 0.28 -1.08 0.00 0.00 175.30 173.10 1se8 n VAL 40 N 6.72 0.00 0.00 4.99 0.31 -1.26 -5.08 118.33 124.01 1se8 n VAL 40 Ca 0.11 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1se8 n VAL 40 Cb 0.50 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 1se8 n VAL 40 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1se8 n ARG 48 N -0.59 0.00 -2.66 5.55 1.74 -1.26 -4.72 116.66 114.72 1se8 n ARG 48 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1se8 n ARG 48 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 1se8 n ARG 48 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1se8 s ASN 49 N 0.00 6.30 -0.32 0.55 0.01 -1.26 -4.93 114.94 115.29 1se8 s ASN 49 Ca 0.00 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 51.72 1se8 s ASN 49 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1se8 s ASN 49 CO 0.00 -1.53 0.22 -0.22 -1.51 0.00 0.00 177.10 174.05 1se8 s LEU 50 N 4.86 4.33 0.46 0.60 2.96 -1.22 -4.95 118.68 125.73 1se8 s LEU 50 Ca 0.35 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.76 1se8 s LEU 50 Cb -0.10 -2.12 -0.10 0.00 0.50 0.00 0.00 46.19 44.37 1se8 s LEU 50 CO 0.19 -0.17 0.98 -2.84 -1.32 0.00 0.00 176.35 173.18 1se8 s PRO 51 N 1.73 4.07 0.00 0.98 0.02 -1.26 -3.36 135.00 137.18 1se8 s PRO 51 Ca 0.06 1.15 -0.08 0.00 0.02 0.00 0.00 61.00 62.14 1se8 s PRO 51 Cb -0.17 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1se8 s PRO 51 CO 0.10 -0.17 0.16 1.67 -0.33 0.00 0.00 177.00 178.43 1se8 s TRP 52 N -2.22 0.01 -0.05 6.54 1.48 0.64 -4.96 118.94 120.39 1se8 s TRP 52 Ca 0.63 -0.10 -0.02 0.00 -1.06 0.00 0.00 56.10 55.55 1se8 s TRP 52 Cb -0.11 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 32.21 1se8 s TRP 52 CO 0.18 -0.31 0.07 0.71 -4.06 0.00 0.00 176.95 173.54 1se8 s TYR 53 N -1.48 0.03 -0.06 1.66 1.51 -1.26 -1.21 117.35 116.54 1se8 s TYR 53 Ca -0.14 0.31 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1se8 s TYR 53 Cb -0.07 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 1se8 s TYR 53 CO 0.02 -0.21 -0.13 -1.01 -1.11 0.00 0.00 175.55 173.11 1se8 s HIS 54 N 2.19 1.50 0.03 2.71 3.76 -0.12 -4.91 115.29 120.45 1se8 s HIS 54 Ca 0.05 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 1se8 s HIS 54 Cb -0.12 -1.07 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 1se8 s HIS 54 CO -0.03 -0.24 1.18 1.03 -0.85 0.00 0.00 174.74 175.83 1se8 s ARG 55 N 0.47 4.43 -0.08 1.40 0.52 -1.26 -0.83 118.95 123.60 1se8 s ARG 55 Ca -0.11 1.72 0.04 0.00 -0.52 0.00 0.00 55.73 56.86 1se8 s ARG 55 Cb -0.14 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1se8 s ARG 55 CO 0.03 -0.28 -0.21 0.08 0.02 0.00 0.00 175.30 174.95 1se8 s VAL 56 N 1.29 2.40 0.02 3.52 1.01 0.13 -3.21 120.40 125.57 1se8 s VAL 56 Ca 0.58 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1se8 s VAL 56 Cb -0.28 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1se8 s VAL 56 CO 0.28 0.56 -0.25 -0.44 0.00 0.00 0.00 175.10 175.25 1se8 s SER 57 N -0.08 2.99 -0.02 3.32 0.01 -0.32 -1.51 113.70 118.08 1se8 s SER 57 Ca -0.05 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.73 1se8 s SER 57 Cb -0.14 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 1se8 s SER 57 CO 0.04 0.26 -0.17 -0.63 0.41 0.00 0.00 173.24 173.15 1se8 s ILE 58 N -0.72 1.39 0.13 1.44 1.01 -0.19 -0.80 121.20 123.45 1se8 s ILE 58 Ca 0.10 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.12 1se8 s ILE 58 Cb -0.10 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1se8 s ILE 58 CO 0.01 0.40 -0.20 -0.76 0.00 0.00 0.00 174.94 174.39 1se8 s LEU 59 N -0.25 2.62 0.00 2.97 1.43 -1.26 -0.57 118.68 123.62 1se8 s LEU 59 Ca 0.03 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1se8 s LEU 59 Cb -0.08 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1se8 s LEU 59 CO 0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1se8 n GLY 60 N 0.71 -0.37 0.28 -3.19 0.00 0.10 -3.74 105.19 98.97 1se8 n GLY 60 Ca -0.15 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1se8 n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1se8 h LYS 61 N 0.00 0.68 -0.92 1.61 1.79 -1.98 -1.03 116.57 116.73 1se8 h LYS 61 Ca 0.00 -0.04 0.22 0.00 -2.18 0.00 0.00 60.65 58.65 1se8 h LYS 61 Cb 0.00 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.43 1se8 h LYS 61 CO 0.00 0.45 0.62 -1.35 -1.08 0.00 0.00 179.45 178.09 1se8 h PRO 62 N 0.71 0.29 -0.35 3.15 0.11 -1.90 0.23 132.00 134.24 1se8 h PRO 62 Ca 0.35 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1se8 h PRO 62 Cb 0.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1se8 h PRO 62 CO -0.23 0.19 0.13 0.00 -0.21 0.00 0.00 178.00 177.89 1se8 h ALA 63 N 1.60 0.46 -0.45 -0.75 0.00 -1.27 -0.23 119.26 118.61 1se8 h ALA 63 Ca 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1se8 h ALA 63 Cb 1.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1se8 h ALA 63 CO -0.15 0.08 0.16 0.93 0.00 0.00 0.00 179.25 180.27 1se8 h GLU 64 N 0.42 0.69 -0.57 0.00 5.08 -1.08 -1.03 114.58 118.08 1se8 h GLU 64 Ca 0.12 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1se8 h GLU 64 Cb 0.22 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1se8 h GLU 64 CO -0.01 0.64 0.33 -1.49 -1.00 0.00 0.00 179.01 177.49 1se8 h TRP 65 N 0.59 0.61 -0.30 4.33 6.55 -0.85 -1.95 115.95 124.92 1se8 h TRP 65 Ca 0.15 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.98 1se8 h TRP 65 Cb 0.23 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 1se8 h TRP 65 CO 0.01 0.33 0.07 0.37 -1.05 0.00 0.00 178.44 178.17 1se8 h GLN 66 N 0.64 0.49 -0.77 0.49 5.75 -0.88 -2.79 115.11 118.05 1se8 h GLN 66 Ca 0.24 -0.12 0.13 0.00 -0.15 0.00 0.00 58.65 58.75 1se8 h GLN 66 Cb 0.08 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 1se8 h GLN 66 CO -0.13 0.56 0.51 0.00 -2.65 0.00 0.00 178.83 177.12 1se8 h ALA 67 N 0.90 1.99 0.00 3.38 0.00 -0.89 -0.07 119.26 124.57 1se8 h ALA 67 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1se8 h ALA 67 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1se8 h ALA 67 CO 0.00 -0.18 -0.17 0.93 0.00 0.00 0.00 179.25 179.83 1se8 h GLU 68 N 0.52 0.00 0.00 0.00 5.08 -1.08 -1.21 114.58 117.89 1se8 h GLU 68 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1se8 h GLU 68 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1se8 h GLU 68 CO -0.13 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1se8 h ARG 69 N 0.00 0.00 -5.82 2.33 3.08 -0.98 -3.47 114.38 109.52 1se8 h ARG 69 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1se8 h ARG 69 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1se8 h ARG 69 CO 0.02 0.00 -0.69 -1.71 -1.07 0.00 0.00 179.97 176.52 1se8 n ASN 70 N -2.35 -4.88 -4.75 7.04 5.15 -0.46 -4.95 115.26 110.06 1se8 n ASN 70 Ca 0.02 -0.61 -0.37 0.00 -0.60 0.00 0.00 54.58 53.02 1se8 n ASN 70 Cb 0.22 -3.92 0.03 0.00 -0.53 0.00 0.00 39.78 35.58 1se8 n ASN 70 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1se8 s LEU 71 N -7.03 3.75 0.29 1.20 1.43 -1.26 -5.03 118.68 112.02 1se8 s LEU 71 Ca 0.55 2.48 0.07 0.00 -1.03 0.00 0.00 54.13 56.20 1se8 s LEU 71 Cb -0.28 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.40 1se8 s LEU 71 CO 0.68 -1.53 -0.05 -0.54 0.23 0.00 0.00 176.35 175.14 1se8 s LYS 72 N -3.15 1.57 0.24 1.70 1.02 -1.26 -4.46 119.74 115.39 1se8 s LYS 72 Ca 0.75 -1.80 -0.31 0.00 0.02 0.00 0.00 55.97 54.63 1se8 s LYS 72 Cb -0.33 -1.16 -0.14 0.00 -0.52 0.00 0.00 37.83 35.68 1se8 s LYS 72 CO 0.37 0.03 1.29 0.41 -0.92 0.00 0.00 175.35 176.53 1se8 n GLY 73 N -0.60 0.46 0.48 -3.33 0.00 -1.24 -1.79 105.19 99.17 1se8 n GLY 73 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1se8 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1se8 n GLY 74 N 1.87 3.12 3.75 -0.02 0.00 0.40 -4.86 105.19 109.45 1se8 n GLY 74 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1se8 n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1se8 s ASP 75 N -1.13 7.02 0.05 1.61 1.01 -0.74 -4.73 116.67 119.77 1se8 s ASP 75 Ca 0.00 2.38 -0.19 0.00 0.71 0.00 0.00 52.55 55.45 1se8 s ASP 75 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1se8 s ASP 75 CO 0.00 -0.38 0.55 0.00 0.21 0.00 0.00 175.17 175.55 1se8 s ALA 76 N -0.54 3.59 0.07 5.23 0.00 -1.26 -0.51 121.76 128.33 1se8 s ALA 76 Ca 0.51 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1se8 s ALA 76 Cb -0.35 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1se8 s ALA 76 CO 0.42 0.37 -0.08 0.14 0.00 0.00 0.00 175.76 176.61 1se8 s VAL 77 N -0.93 0.65 -0.11 0.00 -7.23 0.26 -0.87 120.40 112.15 1se8 s VAL 77 Ca 0.29 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1se8 s VAL 77 Cb -0.19 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1se8 s VAL 77 CO 0.18 -0.61 0.00 0.54 -0.31 0.00 0.00 175.10 174.90 1se8 s VAL 78 N -2.46 4.32 -0.07 1.32 0.11 0.66 -2.06 120.40 122.23 1se8 s VAL 78 Ca 0.01 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1se8 s VAL 78 Cb -0.03 -2.85 0.02 0.00 -1.53 0.00 0.00 36.38 31.99 1se8 s VAL 78 CO -0.02 0.56 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.53 1se8 s VAL 79 N -0.47 0.99 -0.16 2.04 1.01 0.26 -1.30 120.40 122.77 1se8 s VAL 79 Ca 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1se8 s VAL 79 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1se8 s VAL 79 CO 0.02 0.33 0.01 -0.70 0.00 0.00 0.00 175.10 174.76 1se8 s GLU 80 N 0.87 3.73 0.08 2.72 2.12 -1.26 -1.13 118.70 125.82 1se8 s GLU 80 Ca -0.11 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 1se8 s GLU 80 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1se8 s GLU 80 CO 0.01 0.30 0.12 0.41 -0.54 0.00 0.00 175.26 175.57 1se8 n GLY 81 N 3.38 2.66 3.21 -1.50 0.00 0.15 -4.36 105.19 108.73 1se8 n GLY 81 Ca -0.17 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1se8 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1se8 s THR 82 N -2.58 0.99 -0.12 2.61 -4.23 0.21 -1.23 115.64 111.29 1se8 s THR 82 Ca 0.06 -1.92 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1se8 s THR 82 Cb -0.00 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1se8 s THR 82 CO 0.04 -0.73 0.73 -0.76 -0.54 0.00 0.00 174.62 173.36 1se8 s LEU 83 N -2.95 4.24 -0.20 4.79 1.43 -1.26 -0.81 118.68 123.92 1se8 s LEU 83 Ca 0.13 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1se8 s LEU 83 Cb 0.02 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1se8 s LEU 83 CO -0.01 -0.24 -0.07 -0.70 0.23 0.00 0.00 176.35 175.57 1se8 s GLU 84 N 1.43 3.35 -0.09 1.70 2.56 0.98 -4.94 118.70 123.70 1se8 s GLU 84 Ca 0.36 -0.65 -0.18 0.00 0.00 0.00 0.00 54.97 54.51 1se8 s GLU 84 Cb -0.17 -2.93 -0.05 0.00 2.00 0.00 0.00 34.13 32.99 1se8 s GLU 84 CO 0.15 -0.14 0.47 -0.47 -0.56 0.00 0.00 175.26 174.72 1se8 s TYR 85 N 1.30 3.56 0.05 5.30 5.04 -1.26 -1.12 117.35 130.22 1se8 s TYR 85 Ca 0.04 0.93 0.05 0.00 -2.44 0.00 0.00 57.07 55.65 1se8 s TYR 85 Cb -0.14 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.63 1se8 s TYR 85 CO -0.03 0.26 -0.14 -0.98 -1.34 0.00 0.00 175.55 173.31 1se8 s ARG 86 N 0.29 0.91 -0.02 4.97 1.70 0.07 -4.95 118.95 121.92 1se8 s ARG 86 Ca 0.26 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 1se8 s ARG 86 Cb -0.16 -0.92 0.01 0.00 -0.57 0.00 0.00 34.95 33.31 1se8 s ARG 86 CO 0.11 0.22 -0.05 -1.14 -1.08 0.00 0.00 175.30 173.37 1se8 s GLN 87 N -1.32 0.56 0.34 3.89 0.74 -1.26 -1.01 119.66 121.60 1se8 s GLN 87 Ca 0.01 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.24 1se8 s GLN 87 Cb -0.08 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.46 1se8 s GLN 87 CO 0.02 0.03 0.49 1.67 -0.55 0.00 0.00 175.29 176.94 1se8 s TRP 88 N 0.33 0.97 -0.19 1.67 -2.14 0.33 -5.00 118.94 114.91 1se8 s TRP 88 Ca -0.04 -1.24 -0.06 0.00 2.66 0.00 0.00 56.10 57.43 1se8 s TRP 88 Cb -0.08 -0.03 -0.03 0.00 -3.10 0.00 0.00 33.47 30.24 1se8 s TRP 88 CO -0.00 -1.14 0.03 -1.83 -2.66 0.00 0.00 176.95 171.34 1se8 s GLU 89 N -3.09 3.76 0.28 3.25 1.03 -1.26 0.32 118.70 123.00 1se8 s GLU 89 Ca 0.29 -0.45 0.07 0.00 0.03 0.00 0.00 54.97 54.91 1se8 s GLU 89 Cb -0.01 -3.13 -0.03 0.00 -0.80 0.00 0.00 34.13 30.16 1se8 s GLU 89 CO 0.19 0.12 0.25 0.15 -1.33 0.00 0.00 175.26 174.64 1se8 s LYS 95 N 0.74 2.89 0.17 -4.83 1.02 -1.26 -5.17 119.74 113.29 1se8 s LYS 95 Ca 0.01 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 54.95 1se8 s LYS 95 Cb -0.14 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1se8 s LYS 95 CO 0.02 0.28 -0.14 1.03 -0.92 0.00 0.00 175.35 175.63 1se8 s ARG 96 N -3.91 1.19 0.11 1.68 1.81 0.15 -5.17 118.95 114.81 1se8 s ARG 96 Ca 0.36 -1.46 -0.09 0.00 -1.72 0.00 0.00 55.73 52.81 1se8 s ARG 96 Cb -0.07 -0.96 0.00 0.00 -0.45 0.00 0.00 34.95 33.47 1se8 s ARG 96 CO 0.26 0.16 0.24 -1.54 -0.68 0.00 0.00 175.30 173.74 1se8 s SER 97 N -3.04 0.07 -0.04 0.23 1.04 -1.26 -0.51 113.70 110.19 1se8 s SER 97 Ca 0.17 -0.68 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1se8 s SER 97 Cb -0.01 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1se8 s SER 97 CO 0.04 -0.79 0.38 0.00 0.98 0.00 0.00 173.24 173.85 1se8 s ALA 98 N -3.88 -0.96 -0.14 5.32 0.00 -0.18 -5.00 121.76 116.93 1se8 s ALA 98 Ca 0.08 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 1se8 s ALA 98 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1se8 s ALA 98 CO -0.08 -0.27 -0.12 0.08 0.00 0.00 0.00 175.76 175.37 1se8 s VAL 99 N -1.11 3.07 0.19 0.00 1.01 -1.26 -0.75 120.40 121.55 1se8 s VAL 99 Ca -0.11 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1se8 s VAL 99 Cb -0.04 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1se8 s VAL 99 CO 0.05 0.52 -0.04 0.54 0.00 0.00 0.00 175.10 176.17 1se8 s ASN 100 N 0.43 1.74 -0.13 3.32 4.22 -0.27 -4.62 114.94 119.61 1se8 s ASN 100 Ca -0.10 -1.14 -0.23 0.00 -2.14 0.00 0.00 52.86 49.26 1se8 s ASN 100 Cb -0.16 0.02 -0.03 0.00 1.28 0.00 0.00 41.25 42.36 1se8 s ASN 100 CO 0.05 -0.46 0.69 -0.69 -2.04 0.00 0.00 177.10 174.65 1se8 s VAL 101 N -3.42 5.01 -0.14 3.54 1.01 -1.20 -0.01 120.40 125.20 1se8 s VAL 101 Ca 0.24 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1se8 s VAL 101 Cb 0.05 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1se8 s VAL 101 CO 0.05 0.16 0.01 -0.75 0.00 0.00 0.00 175.10 174.58 1se8 s LYS 102 N 1.43 3.52 0.36 2.72 2.20 0.01 -1.17 119.74 128.81 1se8 s LYS 102 Ca 0.34 -0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 1se8 s LYS 102 Cb -0.17 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1se8 s LYS 102 CO 0.14 0.42 0.08 0.00 -0.36 0.00 0.00 175.35 175.63 1se8 s ALA 103 N -0.10 2.66 -0.03 3.13 0.00 0.02 -0.62 121.76 126.82 1se8 s ALA 103 Ca 0.04 -1.69 0.11 0.00 0.00 0.00 0.00 51.96 50.43 1se8 s ALA 103 Cb -0.13 0.64 -0.17 0.00 0.00 0.00 0.00 23.12 23.46 1se8 s ALA 103 CO 0.02 -0.30 0.22 1.28 0.00 0.00 0.00 175.76 176.98 1se8 n LEU 104 N -0.80 0.00 0.00 0.00 4.77 -1.26 -4.30 117.00 115.41 1se8 n LEU 104 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1se8 n LEU 104 Cb 0.66 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1se8 n LEU 104 CO 0.40 0.05 0.00 -2.11 -1.33 0.00 0.00 177.39 174.40 1se8 n ARG 105 N -1.99 0.00 -3.66 3.23 1.85 -1.26 -4.80 116.66 110.03 1se8 n ARG 105 Ca -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.72 1se8 n ARG 105 Cb 0.40 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.73 1se8 n ARG 105 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1se8 s GLU 107 N 1.12 0.61 0.26 2.89 0.41 -0.42 -4.34 118.70 119.24 1se8 s GLU 107 Ca 0.00 1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 55.33 1se8 s GLU 107 Cb 0.00 0.10 -0.09 0.00 -1.78 0.00 0.00 34.13 32.36 1se8 s GLU 107 CO 0.00 -0.15 1.10 -1.14 -0.49 0.00 0.00 175.26 174.59 1se8 s GLN 108 N 1.49 4.63 0.57 1.61 0.74 -1.26 -0.24 119.66 127.19 1se8 s GLN 108 Ca -0.09 1.80 -0.17 0.00 0.05 0.00 0.00 55.36 56.94 1se8 s GLN 108 Cb -0.06 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 1se8 s GLN 108 CO -0.16 0.18 1.07 -0.51 -0.55 0.00 0.00 175.29 175.32 1se8 s LEU 109 N -1.27 3.61 0.29 3.68 1.43 -0.05 -4.88 118.68 121.49 1se8 s LEU 109 Ca 0.45 1.91 0.23 0.00 -1.03 0.00 0.00 54.13 55.69 1se8 s LEU 109 Cb -0.32 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.48 1se8 s LEU 109 CO 0.40 -1.12 1.25 1.23 0.23 0.00 0.00 176.35 178.34 1se8 h GLY 110 N 0.79 0.00 -2.88 -3.19 0.00 -1.96 -3.46 103.07 92.37 1se8 h GLY 110 Ca -0.48 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.34 1se8 h GLY 110 CO 0.57 0.00 -0.04 -1.08 0.00 0.00 0.00 176.54 175.99 1se8 s THR 111 N -3.31 4.94 -0.29 4.70 -1.32 -1.26 -5.06 115.64 114.03 1se8 s THR 111 Ca 0.02 0.25 -0.20 0.00 -1.21 0.00 0.00 61.69 60.56 1se8 s THR 111 Cb 0.08 -3.74 -0.01 0.00 -1.51 0.00 0.00 72.50 67.32 1se8 s THR 111 CO 0.75 -0.41 0.59 0.00 -2.21 0.00 0.00 174.62 173.33 1se8 s GLN 112 N -3.71 3.93 0.62 7.08 0.00 -1.26 -4.83 119.66 121.49 1se8 s GLN 112 Ca 0.47 0.28 -0.16 0.00 -0.00 0.00 0.00 55.36 55.94 1se8 s GLN 112 Cb -0.11 -3.71 -0.02 0.00 0.00 0.00 0.00 33.01 29.17 1se8 s GLN 112 CO 0.31 -0.51 1.11 -1.25 0.00 0.00 0.00 175.29 174.95 1se8 s PRO 113 N 2.51 3.00 -0.33 9.60 0.04 -1.26 -5.00 135.00 143.56 1se8 s PRO 113 Ca 0.24 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1se8 s PRO 113 Cb -0.15 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1se8 s PRO 113 CO 0.11 -1.10 0.93 -1.21 0.04 0.00 0.00 177.00 175.77 1se8 s GLU 114 N -3.86 3.96 0.00 4.56 0.41 -1.26 -5.03 118.70 117.48 1se8 s GLU 114 Ca 0.68 0.76 -0.01 0.00 -0.41 0.00 0.00 54.97 55.99 1se8 s GLU 114 Cb -0.21 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.35 1se8 s GLU 114 CO 0.37 -0.84 0.15 -0.51 -0.49 0.00 0.00 175.26 173.94 1se8 s LEU 115 N 3.36 4.19 -0.18 1.80 1.43 -1.26 -1.61 118.68 126.41 1se8 s LEU 115 Ca 0.39 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1se8 s LEU 115 Cb -0.13 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 1se8 s LEU 115 CO 0.15 0.25 -0.13 -0.63 0.23 0.00 0.00 176.35 176.23 1se8 s ILE 116 N -1.30 2.77 -0.07 -0.59 1.01 0.19 -4.94 121.20 118.26 1se8 s ILE 116 Ca 0.27 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 1se8 s ILE 116 Cb -0.12 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1se8 s ILE 116 CO 0.18 0.49 0.48 -1.58 0.00 0.00 0.00 174.94 174.51 1se8 s GLN 117 N 1.07 4.24 0.55 2.79 0.74 -1.26 -1.39 119.66 126.40 1se8 s GLN 117 Ca -0.00 0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.92 1se8 s GLN 117 Cb -0.15 -3.37 0.05 0.00 1.10 0.00 0.00 33.01 30.65 1se8 s GLN 117 CO -0.03 0.32 0.77 0.16 -0.55 0.00 0.00 175.29 175.95 1se8 s ASP 118 N 0.08 5.18 0.56 6.67 1.47 0.67 -4.99 116.67 126.31 1se8 s ASP 118 Ca 0.26 -0.29 0.32 0.00 1.18 0.00 0.00 52.55 54.02 1se8 s ASP 118 Cb -0.16 -0.51 1.65 0.00 -0.34 0.00 0.00 42.92 43.56 1se8 s ASP 118 CO 0.12 -1.20 2.13 0.00 0.68 0.00 0.00 175.17 176.90 1se8 h ALA 119 N 0.12 1.21 -0.00 2.11 0.00 -1.99 -1.54 119.26 119.17 1se8 h ALA 119 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1se8 h ALA 119 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1se8 h ALA 119 CO 0.47 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1se8 n GLY 120 N -0.71 -0.98 2.31 0.00 0.00 -1.26 -4.85 105.19 99.69 1se8 n GLY 120 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1se8 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1se8 n GLY 121 N 0.95 0.72 3.82 -0.02 0.00 -0.58 -5.04 105.19 105.05 1se8 n GLY 121 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1se8 n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1se8 s GLY 122 N -1.98 2.29 0.11 -0.02 0.00 -1.25 -4.84 107.32 101.63 1se8 s GLY 122 Ca 0.00 0.38 0.09 0.00 0.00 0.00 0.00 44.72 45.18 1se8 s GLY 122 CO 0.00 0.67 -0.22 -1.34 0.00 0.00 0.00 173.10 172.22 1se8 s VAL 123 N -2.30 1.77 0.00 1.40 -7.23 -0.80 -0.24 120.40 113.00 1se8 s VAL 123 Ca 0.62 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1se8 s VAL 123 Cb -0.12 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1se8 s VAL 123 CO 0.23 -0.05 0.00 -2.11 -0.31 0.00 0.00 175.10 172.86 1se8 n ARG 124 N 1.06 0.68 -4.19 4.82 1.85 -0.49 -3.99 116.66 116.41 1se8 n ARG 124 Ca -0.19 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.51 1se8 n ARG 124 Cb 0.53 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.84 1se8 n ARG 124 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1se8 s SER 126 N 1.00 1.52 -1.12 2.89 1.04 -0.63 -0.64 113.70 117.76 1se8 s SER 126 Ca 0.00 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1se8 s SER 126 Cb 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1se8 s SER 126 CO 0.00 -0.25 0.56 0.61 0.98 0.00 0.00 173.24 175.14 1se8 n GLY 127 N 0.53 -0.19 0.00 7.32 0.00 -1.07 -4.70 105.19 107.07 1se8 n GLY 127 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1se8 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se8 n ALA 128 N -3.42 0.00 0.00 4.61 0.00 -0.84 -5.01 120.51 115.85 1se8 n ALA 128 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1se8 n ALA 128 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1se8 n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1se8 n ASN 130 N 0.00 0.00 -3.93 0.00 2.85 -1.26 -4.62 115.26 108.31 1se8 n ASN 130 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1se8 n ASN 130 Cb 0.00 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.87 1se8 n ASN 130 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1se8 s GLU 131 N 0.00 0.52 -0.02 1.20 2.12 -0.34 -4.52 118.70 117.66 1se8 s GLU 131 Ca 0.00 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.25 1se8 s GLU 131 Cb 0.00 -0.54 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 1se8 s GLU 131 CO 0.00 0.03 -0.17 0.08 -0.54 0.00 0.00 175.26 174.66 1se8 s VAL 132 N 0.29 1.40 -0.11 3.70 1.01 0.78 -0.41 120.40 127.06 1se8 s VAL 132 Ca -0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1se8 s VAL 132 Cb -0.07 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1se8 s VAL 132 CO -0.00 0.40 -0.04 -0.76 0.00 0.00 0.00 175.10 174.69 1se8 s LEU 133 N -0.27 1.07 0.06 3.92 1.02 -0.25 -1.51 118.68 122.71 1se8 s LEU 133 Ca 0.04 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.90 1se8 s LEU 133 Cb -0.08 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 1se8 s LEU 133 CO 0.00 -0.16 -0.11 0.68 0.02 0.00 0.00 176.35 176.78 1se8 s VAL 134 N 1.78 0.85 -0.07 -1.59 -7.23 -0.19 -1.17 120.40 112.79 1se8 s VAL 134 Ca 0.04 -1.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1se8 s VAL 134 Cb -0.13 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 35.99 1se8 s VAL 134 CO -0.07 -0.29 0.14 -0.22 -0.31 0.00 0.00 175.10 174.34 1se8 s LEU 135 N -1.66 0.34 0.00 1.32 0.20 -1.26 -0.18 118.68 117.44 1se8 s LEU 135 Ca -0.06 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1se8 s LEU 135 Cb -0.10 0.26 0.00 0.00 -0.43 0.00 0.00 46.19 45.93 1se8 s LEU 135 CO 0.01 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 1se8 n GLY 136 N 4.78 2.98 3.17 7.98 0.00 -0.71 -4.33 105.19 119.05 1se8 n GLY 136 Ca -0.15 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 1se8 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1se8 s ASN 137 N 2.00 1.89 0.22 1.61 -0.87 -0.77 -1.18 114.94 117.84 1se8 s ASN 137 Ca 0.00 -0.45 -0.31 0.00 -1.57 0.00 0.00 52.86 50.53 1se8 s ASN 137 Cb 0.00 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.25 40.98 1se8 s ASN 137 CO 0.00 0.09 1.59 -0.69 -2.57 0.00 0.00 177.10 175.52 1se8 s VAL 138 N -0.76 2.33 -0.20 1.60 1.01 0.27 0.03 120.40 124.68 1se8 s VAL 138 Ca 0.04 0.26 0.21 0.00 0.00 0.00 0.00 61.98 62.49 1se8 s VAL 138 Cb -0.08 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1se8 s VAL 138 CO 0.01 0.03 0.97 0.35 0.00 0.00 0.00 175.10 176.46 1se8 n THR 139 N 3.23 0.73 -3.51 3.92 -2.24 -0.09 0.03 114.28 116.35 1se8 n THR 139 Ca 0.12 -0.58 -0.16 0.00 -2.27 0.00 0.00 64.05 61.16 1se8 n THR 139 Cb 0.38 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 1se8 n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1se8 s ARG 140 N -3.27 1.11 0.07 -0.78 1.70 -1.26 -4.82 118.95 111.70 1se8 s ARG 140 Ca -0.01 -0.02 -0.33 0.00 -0.47 0.00 0.00 55.73 54.89 1se8 s ARG 140 Cb 0.09 0.52 -0.12 0.00 -0.57 0.00 0.00 34.95 34.87 1se8 s ARG 140 CO 0.80 -0.39 1.74 -0.25 -1.08 0.00 0.00 175.30 176.12 1se8 n ASP 141 N 0.50 3.45 -4.75 -2.89 9.92 -1.26 -4.38 116.55 117.14 1se8 n ASP 141 Ca -0.18 1.02 -0.31 0.00 -0.53 0.00 0.00 54.79 54.78 1se8 n ASP 141 Cb 0.60 -1.44 0.10 0.00 -0.64 0.00 0.00 41.12 39.74 1se8 n ASP 141 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1se8 s PRO 142 N 2.41 2.05 -0.28 -0.24 0.04 -1.26 -5.01 135.00 132.70 1se8 s PRO 142 Ca 0.84 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1se8 s PRO 142 Cb -0.63 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1se8 s PRO 142 CO 0.42 -1.82 0.10 -2.00 0.04 0.00 0.00 177.00 173.74 1se8 s GLU 143 N -4.69 3.46 -0.16 4.56 2.12 -1.01 -4.98 118.70 118.00 1se8 s GLU 143 Ca 0.64 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 55.26 1se8 s GLU 143 Cb -0.19 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1se8 s GLU 143 CO 0.54 -0.31 0.12 -1.50 -0.54 0.00 0.00 175.26 173.57 1se8 s ILE 144 N 1.60 5.35 0.19 -3.70 2.07 -1.26 -1.51 121.20 123.95 1se8 s ILE 144 Ca 0.05 0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.46 1se8 s ILE 144 Cb -0.16 -3.39 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1se8 s ILE 144 CO 0.04 0.51 0.04 -0.13 -1.91 0.00 0.00 174.94 173.50 1se8 s ARG 145 N -0.20 1.18 -0.02 3.50 1.81 -0.05 -5.01 118.95 120.16 1se8 s ARG 145 Ca 0.10 -1.59 0.04 0.00 -1.72 0.00 0.00 55.73 52.55 1se8 s ARG 145 Cb -0.12 -0.19 -0.00 0.00 -0.45 0.00 0.00 34.95 34.19 1se8 s ARG 145 CO 0.01 -0.20 -0.13 0.71 -0.68 0.00 0.00 175.30 175.01 1se8 s TYR 146 N -3.75 1.21 0.92 -0.53 1.51 -1.26 -0.56 117.35 114.88 1se8 s TYR 146 Ca 0.29 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 1se8 s TYR 146 Cb 0.07 -0.81 0.15 0.00 -0.11 0.00 0.00 41.96 41.26 1se8 s TYR 146 CO 0.07 -0.07 1.11 0.95 -1.11 0.00 0.00 175.55 176.49 1se8 s THR 147 N -0.08 2.42 0.31 -0.71 -4.23 -0.21 -4.85 115.64 108.27 1se8 s THR 147 Ca 0.01 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1se8 s THR 147 Cb -0.07 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.74 1se8 s THR 147 CO 0.00 -0.18 1.82 -0.65 -0.54 0.00 0.00 174.62 175.07 1se8 h PRO 148 N -1.79 0.81 0.00 3.99 0.11 -2.01 0.61 132.00 133.73 1se8 h PRO 148 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1se8 h PRO 148 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1se8 h PRO 148 CO 0.47 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 1se8 n ALA 149 N -2.36 2.12 -0.24 -0.75 0.00 -1.26 -4.88 120.51 113.14 1se8 n ALA 149 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1se8 n ALA 149 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1se8 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se8 n GLY 150 N 0.54 0.86 3.69 0.00 0.00 0.21 -5.06 105.19 105.43 1se8 n GLY 150 Ca 0.10 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1se8 n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1se8 s ASP 151 N -2.24 7.17 0.33 1.61 1.01 -1.26 -4.82 116.67 118.48 1se8 s ASP 151 Ca 0.00 1.43 -0.28 0.00 0.71 0.00 0.00 52.55 54.41 1se8 s ASP 151 Cb 0.00 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1se8 s ASP 151 CO 0.00 -0.34 1.18 0.00 0.21 0.00 0.00 175.17 176.22 1se8 s ALA 152 N 1.61 3.36 -0.03 5.23 0.00 -1.26 -1.05 121.76 129.62 1se8 s ALA 152 Ca 0.45 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1se8 s ALA 152 Cb -0.18 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1se8 s ALA 152 CO 0.19 -0.40 0.04 0.54 0.00 0.00 0.00 175.76 176.13 1se8 s VAL 153 N -1.24 -0.04 -0.13 0.00 0.11 0.27 -0.33 120.40 119.05 1se8 s VAL 153 Ca 0.49 0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.85 1se8 s VAL 153 Cb -0.34 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1se8 s VAL 153 CO 0.43 0.14 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.91 1se8 s LEU 154 N 1.52 2.22 -0.24 2.54 2.96 -0.04 -0.87 118.68 126.77 1se8 s LEU 154 Ca -0.03 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 1se8 s LEU 154 Cb -0.13 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1se8 s LEU 154 CO -0.03 0.12 0.23 -0.44 -1.32 0.00 0.00 176.35 174.91 1se8 s SER 155 N 0.60 6.19 -0.05 3.68 0.01 -0.57 -0.97 113.70 122.59 1se8 s SER 155 Ca -0.12 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1se8 s SER 155 Cb -0.16 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1se8 s SER 155 CO 0.03 0.00 -0.13 -0.22 0.41 0.00 0.00 173.24 173.34 1se8 s LEU 156 N 1.25 1.74 -0.10 2.44 2.96 -0.37 -2.39 118.68 124.21 1se8 s LEU 156 Ca 0.11 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1se8 s LEU 156 Cb -0.14 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 1se8 s LEU 156 CO 0.06 0.07 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.51 1se8 s SER 157 N 0.41 3.30 0.15 3.68 0.01 -1.26 0.06 113.70 120.06 1se8 s SER 157 Ca -0.10 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 56.76 1se8 s SER 157 Cb -0.13 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 1se8 s SER 157 CO 0.03 0.18 -0.20 0.27 0.41 0.00 0.00 173.24 173.93 1se8 s ILE 158 N 0.25 1.86 -0.22 1.44 -4.36 0.23 -0.91 121.20 119.49 1se8 s ILE 158 Ca -0.14 -1.85 -0.08 0.00 -0.26 0.00 0.00 60.65 58.32 1se8 s ILE 158 Cb -0.17 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1se8 s ILE 158 CO 0.07 -0.24 0.07 0.00 0.24 0.00 0.00 174.94 175.09 1se8 s ALA 159 N -1.81 3.28 -0.24 2.27 0.00 0.10 -0.78 121.76 124.58 1se8 s ALA 159 Ca 0.14 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1se8 s ALA 159 Cb -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1se8 s ALA 159 CO 0.06 -0.21 -0.02 0.08 0.00 0.00 0.00 175.76 175.68 1se8 s VAL 160 N 1.10 3.44 -0.13 0.00 1.01 0.05 -1.85 120.40 124.02 1se8 s VAL 160 Ca 0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1se8 s VAL 160 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1se8 s VAL 160 CO 0.03 0.31 0.51 0.21 0.00 0.00 0.00 175.10 176.15 1se8 s ASN 161 N 1.46 6.70 -0.10 3.32 3.04 -1.26 -0.58 114.94 127.51 1se8 s ASN 161 Ca 0.04 0.83 0.04 0.00 0.04 0.00 0.00 52.86 53.81 1se8 s ASN 161 Cb -0.15 -2.30 -0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1se8 s ASN 161 CO -0.02 -0.04 -0.23 -0.70 -3.04 0.00 0.00 177.10 173.07 1se8 s GLU 162 N 0.79 3.07 0.21 0.43 2.12 0.93 -4.81 118.70 121.44 1se8 s GLU 162 Ca 0.27 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.58 1se8 s GLU 162 Cb -0.15 -2.33 -0.08 0.00 0.26 0.00 0.00 34.13 31.83 1se8 s GLU 162 CO 0.11 0.17 0.63 -0.80 -0.54 0.00 0.00 175.26 174.82 1se8 s ASN 163 N 0.37 6.85 0.23 -1.70 0.01 -1.26 0.02 114.94 119.46 1se8 s ASN 163 Ca -0.18 1.18 -0.17 0.00 -0.71 0.00 0.00 52.86 52.98 1se8 s ASN 163 Cb -0.18 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1se8 s ASN 163 CO 0.08 0.01 0.57 -0.72 -1.51 0.00 0.00 177.10 175.53 1se8 s TYR 164 N -1.62 -0.02 -0.19 2.20 -0.85 -0.40 -4.95 117.35 111.52 1se8 s TYR 164 Ca 0.43 -0.36 -0.05 0.00 -0.52 0.00 0.00 57.07 56.57 1se8 s TYR 164 Cb -0.14 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 1se8 s TYR 164 CO 0.20 -1.03 0.01 -0.65 -1.52 0.00 0.00 175.55 172.55 1se8 s GLN 165 N -3.92 3.71 0.00 -3.49 -1.52 -1.26 -0.78 119.66 112.40 1se8 s GLN 165 Ca 0.13 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 1se8 s GLN 165 Cb -0.02 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.69 1se8 s GLN 165 CO 0.03 0.13 0.00 -0.40 -0.25 0.00 0.00 175.29 174.80 1se8 n ASP 166 N 3.92 -0.17 0.27 5.90 5.68 -1.06 -4.90 116.55 126.19 1se8 n ASP 166 Ca -0.17 -0.64 0.15 0.00 -0.50 0.00 0.00 54.79 53.64 1se8 n ASP 166 Cb 0.52 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.25 1se8 n ASP 166 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1se8 h ARG 167 N 0.00 0.00 -0.01 0.11 0.11 -2.00 -2.98 114.38 109.61 1se8 h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1se8 h ARG 167 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1se8 h ARG 167 CO 0.00 0.09 -0.46 1.04 0.10 0.00 0.00 179.97 180.73 1se8 n GLN 168 N -3.36 0.93 -1.14 0.08 6.02 -1.26 -4.95 117.38 113.70 1se8 n GLN 168 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1se8 n GLN 168 Cb 0.26 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1se8 n GLN 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1se8 n GLY 169 N 1.41 0.45 3.87 1.08 0.00 -1.13 -5.06 105.19 105.82 1se8 n GLY 169 Ca 0.09 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 1se8 n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1se8 s GLN 170 N -2.30 3.54 0.17 1.61 -1.52 -1.26 -4.91 119.66 115.00 1se8 s GLN 170 Ca 0.00 -0.04 -0.31 0.00 -1.95 0.00 0.00 55.36 53.06 1se8 s GLN 170 Cb 0.00 -3.17 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1se8 s GLN 170 CO 0.00 0.74 1.43 0.50 -0.25 0.00 0.00 175.29 177.70 1se8 s ARG 171 N -1.21 4.30 0.13 2.91 3.52 -1.26 -2.55 118.95 124.79 1se8 s ARG 171 Ca 0.19 2.19 0.05 0.00 -0.13 0.00 0.00 55.73 58.03 1se8 s ARG 171 Cb -0.13 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1se8 s ARG 171 CO 0.08 -0.44 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.37 1se8 s GLN 172 N 0.55 1.01 0.05 5.12 -1.52 0.04 -4.96 119.66 119.95 1se8 s GLN 172 Ca 0.63 -1.33 0.06 0.00 -1.95 0.00 0.00 55.36 52.77 1se8 s GLN 172 Cb -0.39 -0.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.67 1se8 s GLN 172 CO 0.35 0.11 -0.13 -1.21 -0.25 0.00 0.00 175.29 174.16 1se8 s GLU 173 N -3.25 2.20 0.03 2.91 2.02 -1.26 -1.28 118.70 120.08 1se8 s GLU 173 Ca 0.12 -0.93 0.06 0.00 0.02 0.00 0.00 54.97 54.24 1se8 s GLU 173 Cb -0.01 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1se8 s GLU 173 CO 0.01 0.54 -0.18 0.21 0.02 0.00 0.00 175.26 175.86 1se8 s LYS 174 N -1.68 1.28 -0.02 1.61 2.20 0.10 -4.98 119.74 118.25 1se8 s LYS 174 Ca 0.17 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1se8 s LYS 174 Cb -0.11 -1.33 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 1se8 s LYS 174 CO 0.08 0.34 -0.20 0.54 -0.36 0.00 0.00 175.35 175.75 1se8 s VAL 175 N -0.73 2.55 -0.21 4.02 0.11 -1.26 -0.05 120.40 124.83 1se8 s VAL 175 Ca 0.06 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1se8 s VAL 175 Cb -0.08 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1se8 s VAL 175 CO 0.01 0.55 -0.11 -1.00 -3.33 0.00 0.00 175.10 171.22 1se8 s HIS 176 N -0.70 2.92 -0.32 1.54 3.76 0.25 -4.78 115.29 117.95 1se8 s HIS 176 Ca 0.11 -1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 53.41 1se8 s HIS 176 Cb -0.10 -2.02 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 1se8 s HIS 176 CO 0.00 -0.70 0.65 0.71 -0.85 0.00 0.00 174.74 174.56 1se8 s TYR 177 N 1.36 3.19 -0.12 1.40 2.02 -1.26 -0.77 117.35 123.16 1se8 s TYR 177 Ca 0.04 0.53 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 1se8 s TYR 177 Cb -0.14 -3.08 -0.01 0.00 -0.40 0.00 0.00 41.96 38.32 1se8 s TYR 177 CO -0.07 -0.55 -0.16 0.42 -1.57 0.00 0.00 175.55 173.62 1se8 s ILE 178 N 2.70 2.80 -0.12 2.71 -1.09 0.04 -4.87 121.20 123.37 1se8 s ILE 178 Ca 0.26 -0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1se8 s ILE 178 Cb -0.15 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 1se8 s ILE 178 CO 0.13 0.54 0.12 -1.81 -1.23 0.00 0.00 174.94 172.69 1se8 s ASP 179 N 0.28 6.23 0.07 3.58 1.01 -1.26 -0.60 116.67 125.99 1se8 s ASP 179 Ca -0.12 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.62 1se8 s ASP 179 Cb -0.16 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 1se8 s ASP 179 CO 0.06 0.40 -0.16 0.00 0.21 0.00 0.00 175.17 175.69 1se8 s ALA 180 N -0.98 1.30 -0.17 5.23 0.00 0.11 -1.19 121.76 126.07 1se8 s ALA 180 Ca 0.15 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1se8 s ALA 180 Cb -0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1se8 s ALA 180 CO 0.04 0.21 -0.14 0.99 0.00 0.00 0.00 175.76 176.86 1se8 s THR 181 N -1.20 2.72 -0.10 0.00 2.01 0.53 -1.23 115.64 118.36 1se8 s THR 181 Ca 0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1se8 s THR 181 Cb -0.10 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1se8 s THR 181 CO 0.03 0.50 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.55 1se8 s LEU 182 N 0.94 2.63 0.05 4.42 1.02 -0.14 -1.38 118.68 126.21 1se8 s LEU 182 Ca -0.03 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 53.85 1se8 s LEU 182 Cb -0.15 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1se8 s LEU 182 CO -0.02 0.22 -0.07 0.26 0.02 0.00 0.00 176.35 176.76 1se8 s TRP 183 N 0.01 2.84 0.00 0.29 0.52 -1.26 -0.86 118.94 120.47 1se8 s TRP 183 Ca -0.05 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 55.99 1se8 s TRP 183 Cb -0.14 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.64 1se8 s TRP 183 CO 0.04 0.40 0.00 0.54 0.02 0.00 0.00 176.95 177.95 1se8 n ARG 184 N 1.18 0.00 -0.32 4.98 1.74 0.55 -1.75 116.66 123.03 1se8 n ARG 184 Ca -0.14 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.98 1se8 n ARG 184 Cb 0.52 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.20 1se8 n ARG 184 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1se8 h ASP 185 N 0.00 0.92 -0.73 0.55 3.32 -1.96 -0.32 116.42 118.20 1se8 h ASP 185 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1se8 h ASP 185 Cb 0.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1se8 h ASP 185 CO 0.00 0.57 0.30 -0.07 -1.72 0.00 0.00 179.24 178.32 1se8 h LEU 186 N 1.03 0.99 0.03 1.55 4.07 -1.71 0.81 115.31 122.09 1se8 h LEU 186 Ca 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 1se8 h LEU 186 Cb 0.26 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1se8 h LEU 186 CO -0.17 0.88 -0.02 0.00 -1.08 0.00 0.00 178.44 178.06 1se8 h ALA 187 N 1.15 -0.05 -0.73 1.53 0.00 -1.19 -3.17 119.26 116.81 1se8 h ALA 187 Ca 0.24 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1se8 h ALA 187 Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1se8 h ALA 187 CO -0.02 -0.42 0.47 0.93 0.00 0.00 0.00 179.25 180.21 1se8 h GLU 188 N -0.26 0.91 -0.17 0.00 4.39 -0.95 -1.94 114.58 116.57 1se8 h GLU 188 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1se8 h GLU 188 Cb 0.24 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1se8 h GLU 188 CO 0.01 0.60 0.00 0.09 -1.16 0.00 0.00 179.01 178.55 1se8 n ASN 189 N -4.61 0.17 0.00 1.42 3.02 0.27 -4.68 115.26 110.84 1se8 n ASN 189 Ca 0.07 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1se8 n ASN 189 Cb 0.05 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1se8 n ASN 189 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1se8 n LYS 191 N 0.27 0.00 -0.06 3.52 2.85 -0.73 -4.90 118.16 119.11 1se8 n LYS 191 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1se8 n LYS 191 Cb 0.04 -1.11 0.40 0.00 -0.65 0.00 0.00 35.03 33.72 1se8 n LYS 191 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1se8 n GLU 192 N -2.00 1.73 -1.74 -1.58 -0.58 -1.26 -4.87 120.64 110.33 1se8 n GLU 192 Ca 0.00 -1.09 -0.39 0.00 -0.42 0.00 0.00 57.16 55.26 1se8 n GLU 192 Cb 0.00 -1.42 0.04 0.00 -0.57 0.00 0.00 31.44 29.49 1se8 n GLU 192 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1se8 n LEU 193 N 0.31 5.32 -4.32 -4.62 4.77 -1.26 -5.03 117.00 112.18 1se8 n LEU 193 Ca 0.17 1.01 -0.19 0.00 -0.03 0.00 0.00 56.01 56.97 1se8 n LEU 193 Cb 0.34 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 1se8 n LEU 193 CO 0.14 -0.53 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.09 1se8 s ARG 194 N -2.76 1.25 0.12 3.23 1.81 -1.26 -4.38 118.95 116.97 1se8 s ARG 194 Ca 0.69 -1.49 -0.35 0.00 -1.72 0.00 0.00 55.73 52.86 1se8 s ARG 194 Cb -0.43 -1.08 -0.17 0.00 -0.45 0.00 0.00 34.95 32.82 1se8 s ARG 194 CO 0.51 0.19 1.17 1.17 -0.68 0.00 0.00 175.30 177.66 1se8 n LYS 195 N -0.11 0.92 0.00 3.54 4.81 -1.26 -1.41 118.16 124.65 1se8 n LYS 195 Ca -0.10 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1se8 n LYS 195 Cb 0.59 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1se8 n LYS 195 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1se8 n GLY 196 N 2.09 3.32 3.72 3.14 0.00 0.10 -4.96 105.19 112.61 1se8 n GLY 196 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1se8 n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1se8 s ASP 197 N -0.67 6.63 0.32 1.61 1.01 -0.50 -4.57 116.67 120.50 1se8 s ASP 197 Ca 0.00 2.60 -0.27 0.00 0.71 0.00 0.00 52.55 55.59 1se8 s ASP 197 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 1se8 s ASP 197 CO 0.00 -0.78 1.02 -2.16 0.21 0.00 0.00 175.17 173.47 1se8 s PRO 198 N 0.73 4.51 0.00 8.23 0.04 -1.26 -0.57 135.00 146.68 1se8 s PRO 198 Ca 0.67 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1se8 s PRO 198 Cb -0.43 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1se8 s PRO 198 CO 0.34 0.16 0.00 1.55 0.04 0.00 0.00 177.00 179.10 1se8 n VAL 199 N 0.69 0.00 0.00 -0.36 3.14 -0.33 -1.35 118.33 120.12 1se8 n VAL 199 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1se8 n VAL 199 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1se8 n VAL 199 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1se8 n ILE 201 N 0.00 0.00 0.00 1.55 5.41 0.74 -1.74 119.36 125.32 1se8 n ILE 201 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1se8 n ILE 201 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1se8 n ILE 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1se8 n GLY 203 N -0.10 0.65 3.36 7.39 0.00 -0.57 -1.03 105.19 114.88 1se8 n GLY 203 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1se8 n GLY 203 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1se8 s ARG 204 N -1.33 1.51 -0.13 1.61 1.70 -0.44 -0.16 118.95 121.71 1se8 s ARG 204 Ca 0.00 -1.23 -0.24 0.00 -0.47 0.00 0.00 55.73 53.79 1se8 s ARG 204 Cb 0.00 -1.85 -0.02 0.00 -0.57 0.00 0.00 34.95 32.50 1se8 s ARG 204 CO 0.00 0.46 0.76 -1.17 -1.08 0.00 0.00 175.30 174.26 1se8 s LEU 205 N -1.71 4.22 0.22 -1.89 2.96 -1.26 -0.52 118.68 120.69 1se8 s LEU 205 Ca 0.12 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1se8 s LEU 205 Cb -0.10 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 1se8 s LEU 205 CO 0.04 -0.28 -0.04 0.68 -1.32 0.00 0.00 176.35 175.43 1se8 s VAL 206 N 1.61 1.18 -0.18 1.68 -7.23 0.10 -4.96 120.40 112.61 1se8 s VAL 206 Ca 0.37 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1se8 s VAL 206 Cb -0.17 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1se8 s VAL 206 CO 0.15 -0.44 -0.07 0.20 -0.31 0.00 0.00 175.10 174.63 1se8 s ASN 207 N -3.29 4.35 -0.20 4.85 0.01 -1.26 -0.99 114.94 118.40 1se8 s ASN 207 Ca 0.25 -0.30 -0.02 0.00 -0.71 0.00 0.00 52.86 52.09 1se8 s ASN 207 Cb 0.04 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1se8 s ASN 207 CO 0.07 0.09 -0.11 -1.61 -1.51 0.00 0.00 177.10 174.03 1se8 s GLU 208 N 0.83 3.23 0.30 -0.60 2.02 0.14 -4.95 118.70 119.66 1se8 s GLU 208 Ca -0.02 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 1se8 s GLU 208 Cb -0.15 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.16 1se8 s GLU 208 CO 0.01 -0.19 0.86 0.20 0.02 0.00 0.00 175.26 176.16 1se8 s GLY 209 N 1.37 2.69 0.31 -1.39 0.00 -1.26 -1.70 107.32 107.33 1se8 s GLY 209 Ca 0.05 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.98 1se8 s GLY 209 CO -0.07 0.76 0.66 0.66 0.00 0.00 0.00 173.10 175.12 1se8 s TRP 210 N -1.64 0.13 -0.38 1.90 1.48 -1.26 -4.98 118.94 114.19 1se8 s TRP 210 Ca 0.49 -0.61 0.01 0.00 -1.06 0.00 0.00 56.10 54.93 1se8 s TRP 210 Cb -0.17 0.56 0.11 0.00 -1.16 0.00 0.00 33.47 32.81 1se8 s TRP 210 CO 0.22 -1.27 0.15 0.99 -4.06 0.00 0.00 176.95 172.98 1se8 s THR 211 N -3.42 1.45 0.00 0.66 2.01 -1.26 -4.54 115.64 110.54 1se8 s THR 211 Ca 0.17 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 60.05 1se8 s THR 211 Cb -0.04 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1se8 s THR 211 CO 0.10 -0.75 0.00 0.54 -0.69 0.00 0.00 174.62 173.82 1se8 n ARG 218 N 4.16 0.00 -4.63 4.92 5.12 -1.26 -5.29 116.66 119.67 1se8 n ARG 218 Ca 0.03 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.70 1se8 n ARG 218 Cb 0.39 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.55 1se8 n ARG 218 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1se8 s ASN 219 N 0.00 2.49 -0.05 0.55 3.84 -1.26 -4.54 114.94 115.97 1se8 s ASN 219 Ca 0.00 -0.53 -0.02 0.00 0.21 0.00 0.00 52.86 52.52 1se8 s ASN 219 Cb 0.00 -0.20 0.03 0.00 -0.55 0.00 0.00 41.25 40.53 1se8 s ASN 219 CO 0.00 0.16 0.07 -0.44 -2.79 0.00 0.00 177.10 174.10 1se8 s SER 220 N -1.21 0.89 -0.15 -4.21 0.01 -0.69 -4.98 113.70 103.36 1se8 s SER 220 Ca 0.07 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.19 1se8 s SER 220 Cb -0.09 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1se8 s SER 220 CO 0.02 -0.23 0.91 -0.89 0.41 0.00 0.00 173.24 173.46 1se8 s THR 221 N 2.01 4.83 0.13 1.44 2.01 -1.26 0.26 115.64 125.07 1se8 s THR 221 Ca 0.02 1.81 0.01 0.00 0.31 0.00 0.00 61.69 63.84 1se8 s THR 221 Cb -0.12 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1se8 s THR 221 CO -0.04 0.01 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.75 1se8 s ARG 222 N 2.16 0.94 -0.33 4.92 0.52 -0.17 -4.68 118.95 122.32 1se8 s ARG 222 Ca 0.42 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.07 1se8 s ARG 222 Cb -0.17 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.14 1se8 s ARG 222 CO 0.14 -0.10 0.33 0.08 0.02 0.00 0.00 175.30 175.77 1se8 s VAL 223 N -3.71 5.20 -0.49 3.52 1.01 -0.34 -0.72 120.40 124.87 1se8 s VAL 223 Ca 0.18 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 1se8 s VAL 223 Cb 0.06 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1se8 s VAL 223 CO -0.01 -0.04 0.95 -0.70 0.00 0.00 0.00 175.10 175.31 1se8 s GLU 224 N 1.95 3.49 0.31 2.72 2.12 0.32 -0.35 118.70 129.25 1se8 s GLU 224 Ca 0.11 0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 1se8 s GLU 224 Cb -0.17 -3.96 -0.10 0.00 0.26 0.00 0.00 34.13 30.16 1se8 s GLU 224 CO 0.11 -1.32 1.18 0.00 -0.54 0.00 0.00 175.26 174.69 1se8 s ALA 225 N 3.90 3.43 -0.04 6.30 0.00 -0.48 -1.33 121.76 133.54 1se8 s ALA 225 Ca 0.36 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.45 1se8 s ALA 225 Cb -0.10 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 1se8 s ALA 225 CO 0.25 -0.36 0.13 0.25 0.00 0.00 0.00 175.76 176.02 1se8 n THR 226 N 0.98 0.24 -3.71 0.00 -2.24 -1.26 -4.74 114.28 103.54 1se8 n THR 226 Ca -0.00 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1se8 n THR 226 Cb 0.44 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 1se8 n THR 226 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1se8 s ARG 227 N -2.45 0.48 -0.01 -0.78 3.52 -1.26 -5.02 118.95 113.42 1se8 s ARG 227 Ca -0.04 0.67 0.02 0.00 -0.13 0.00 0.00 55.73 56.25 1se8 s ARG 227 Cb 0.04 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 1se8 s ARG 227 CO 0.36 -0.09 -0.05 0.08 -0.81 0.00 0.00 175.30 174.79 1se8 s VAL 228 N 0.60 0.43 -0.13 7.11 1.01 -1.26 -4.46 120.40 123.70 1se8 s VAL 228 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1se8 s VAL 228 Cb -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1se8 s VAL 228 CO -0.04 0.14 -0.10 -1.61 0.00 0.00 0.00 175.10 173.50 1se8 s GLU 229 N 0.12 1.79 0.28 2.72 0.41 -1.26 -5.03 118.70 117.73 1se8 s GLU 229 Ca -0.01 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 53.85 1se8 s GLU 229 Cb -0.05 -1.84 -0.10 0.00 -1.78 0.00 0.00 34.13 30.36 1se8 s GLU 229 CO -0.00 -0.28 1.29 0.00 -0.49 0.00 0.00 175.26 175.77 1se8 s ALA 230 N 1.62 3.50 0.30 5.21 0.00 -1.26 -4.41 121.76 126.72 1se8 s ALA 230 Ca 0.04 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.24 1se8 s ALA 230 Cb -0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1se8 s ALA 230 CO -0.09 -0.55 0.32 -0.51 0.00 0.00 0.00 175.76 174.93 1se8 s LEU 231 N -1.21 3.83 0.21 0.00 1.43 -0.46 -4.96 118.68 117.53 1se8 s LEU 231 Ca 0.51 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 53.00 1se8 s LEU 231 Cb -0.38 -2.45 -0.11 0.00 0.03 0.00 0.00 46.19 43.27 1se8 s LEU 231 CO 0.47 -0.26 1.65 0.00 0.23 0.00 0.00 176.35 178.44 1se8 s ALA 232 N -2.19 3.86 -2.35 4.21 0.00 -1.26 -4.63 121.76 119.39 1se8 s ALA 232 Ca 0.39 1.51 0.29 0.00 0.00 0.00 0.00 51.96 54.15 1se8 s ALA 232 Cb -0.08 -3.66 1.30 0.00 0.00 0.00 0.00 23.12 20.68 1se8 s ALA 232 CO 0.28 -0.88 1.89 0.54 0.00 0.00 0.00 175.76 177.58