#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa8 s VAL 4 N 0.00 1.42 0.47 2.03 0.11 -1.26 -5.12 120.40 118.05 1xa8 s VAL 4 Ca 0.00 -0.67 -0.24 0.00 -2.93 0.00 0.00 61.98 58.14 1xa8 s VAL 4 Cb 0.00 -1.24 -0.07 0.00 -1.53 0.00 0.00 36.38 33.54 1xa8 s VAL 4 CO 0.00 0.41 1.31 -0.62 -3.33 0.00 0.00 175.10 172.87 1xa8 s ASP 5 N 0.34 5.85 0.00 3.54 2.15 -1.26 -4.92 116.67 122.37 1xa8 s ASP 5 Ca -0.11 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.52 1xa8 s ASP 5 Cb -0.14 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1xa8 s ASP 5 CO 0.04 -1.17 0.00 0.41 -0.17 0.00 0.00 175.17 174.28 1xa8 n THR 6 N -0.47 0.00 -1.48 1.71 -1.04 -1.26 -4.77 114.28 106.97 1xa8 n THR 6 Ca 0.07 -0.31 -0.48 0.00 -2.04 0.00 0.00 64.05 61.28 1xa8 n THR 6 Cb 0.45 0.91 -0.03 0.00 -1.82 0.00 0.00 70.33 69.84 1xa8 n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xa8 n SER 7 N -0.78 -0.17 -4.18 8.00 7.64 -1.26 -1.84 113.62 121.03 1xa8 n SER 7 Ca 0.00 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 1xa8 n SER 7 Cb 0.00 -1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 62.05 1xa8 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xa8 n GLY 8 N 1.76 -0.22 3.66 0.23 0.00 -1.26 -4.95 105.19 104.41 1xa8 n GLY 8 Ca 0.16 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1xa8 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 9 N -3.71 5.24 -0.08 1.61 1.01 -0.77 -5.09 120.40 118.62 1xa8 s VAL 9 Ca 0.33 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1xa8 s VAL 9 Cb -0.19 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1xa8 s VAL 9 CO 0.91 0.27 -0.11 -0.54 0.00 0.00 0.00 175.10 175.63 1xa8 s LYS 10 N 1.28 2.83 0.00 2.72 -0.14 -1.26 -5.02 119.74 120.15 1xa8 s LYS 10 Ca 0.16 -0.64 -0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1xa8 s LYS 10 Cb -0.14 -2.53 -0.00 0.00 -1.68 0.00 0.00 37.83 33.48 1xa8 s LYS 10 CO 0.07 0.53 -0.01 -0.89 -0.76 0.00 0.00 175.35 174.29 1xa8 n ILE 11 N 2.60 0.09 -3.64 2.17 2.08 -1.26 -4.63 119.36 116.77 1xa8 n ILE 11 Ca -0.18 0.14 -0.13 0.00 0.56 0.00 0.00 62.75 63.14 1xa8 n ILE 11 Cb 0.53 -1.17 -0.07 0.00 -0.75 0.00 0.00 39.64 38.17 1xa8 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1xa8 s HIS 12 N -1.08 -0.78 0.27 1.39 2.46 -1.26 -2.04 115.29 114.25 1xa8 s HIS 12 Ca -0.00 1.86 -0.09 0.00 0.47 0.00 0.00 55.06 57.30 1xa8 s HIS 12 Cb 0.00 0.28 0.43 0.00 -0.13 0.00 0.00 32.58 33.16 1xa8 s HIS 12 CO 0.01 -0.37 1.58 -1.35 -2.47 0.00 0.00 174.74 172.13 1xa8 h PRO 13 N 5.19 0.00 0.00 2.88 0.11 -1.96 0.15 132.00 138.37 1xa8 h PRO 13 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xa8 h PRO 13 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xa8 h PRO 13 CO 0.08 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1xa8 h ALA 14 N 1.92 1.00 0.00 -0.75 0.00 -1.97 -3.01 119.26 116.45 1xa8 h ALA 14 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1xa8 h ALA 14 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xa8 h ALA 14 CO -0.94 0.00 -0.81 1.33 0.00 0.00 0.00 179.25 178.83 1xa8 n VAL 15 N -2.94 0.00 0.24 0.00 0.24 -0.37 -4.56 118.33 110.93 1xa8 n VAL 15 Ca -0.01 -0.26 0.17 0.00 -2.04 0.00 0.00 64.34 62.21 1xa8 n VAL 15 Cb 0.16 0.69 0.87 0.00 -1.47 0.00 0.00 33.84 34.09 1xa8 n VAL 15 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1xa8 h ASP 16 N 0.00 0.00 -0.31 -1.34 3.32 -0.63 0.11 116.42 117.57 1xa8 h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xa8 h ASP 16 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xa8 h ASP 16 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1xa8 n ASN 17 N -3.69 3.88 0.00 6.45 3.02 -1.26 -5.05 115.26 118.62 1xa8 n ASN 17 Ca 0.00 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1xa8 n ASN 17 Cb 0.28 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1xa8 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xa8 n GLY 18 N -0.19 2.75 3.68 7.41 0.00 0.38 -5.03 105.19 114.18 1xa8 n GLY 18 Ca 0.20 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1xa8 n GLY 18 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xa8 n ILE 19 N 0.59 0.55 -2.44 -0.61 2.08 -1.26 -4.58 119.36 113.69 1xa8 n ILE 19 Ca 0.00 -0.10 -0.42 0.00 0.56 0.00 0.00 62.75 62.79 1xa8 n ILE 19 Cb 0.00 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 36.68 1xa8 n ILE 19 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1xa8 s LYS 20 N 3.56 4.43 0.50 0.38 1.02 -1.26 -5.05 119.74 123.32 1xa8 s LYS 20 Ca 0.86 1.74 -0.20 0.00 0.02 0.00 0.00 55.97 58.39 1xa8 s LYS 20 Cb -0.48 -3.37 -0.08 0.00 -0.52 0.00 0.00 37.83 33.38 1xa8 s LYS 20 CO 0.41 -0.26 1.06 -1.25 -0.92 0.00 0.00 175.35 174.38 1xa8 s PRO 21 N 1.16 3.71 0.61 -1.68 0.04 -1.26 -4.47 135.00 133.11 1xa8 s PRO 21 Ca 0.58 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1xa8 s PRO 21 Cb -0.29 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1xa8 s PRO 21 CO 0.29 -0.52 1.23 0.00 0.04 0.00 0.00 177.00 178.04 1xa8 s ALA 22 N -1.93 2.48 -0.26 8.56 0.00 -1.25 -4.42 121.76 124.93 1xa8 s ALA 22 Ca 0.68 1.05 -0.09 0.00 0.00 0.00 0.00 51.96 53.60 1xa8 s ALA 22 Cb -0.18 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1xa8 s ALA 22 CO 0.21 -1.31 0.13 -1.14 0.00 0.00 0.00 175.76 173.65 1xa8 s GLN 23 N -3.38 3.81 -0.05 0.00 0.74 -0.97 -4.99 119.66 114.82 1xa8 s GLN 23 Ca 0.78 -0.40 -0.33 0.00 0.05 0.00 0.00 55.36 55.47 1xa8 s GLN 23 Cb -0.32 -3.48 -0.11 0.00 1.10 0.00 0.00 33.01 30.20 1xa8 s GLN 23 CO 0.35 -0.17 1.89 -2.30 -0.55 0.00 0.00 175.29 174.51 1xa8 n PRO 24 N 4.93 2.31 -0.52 1.67 -0.02 -1.26 -1.52 135.00 140.59 1xa8 n PRO 24 Ca -0.15 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1xa8 n PRO 24 Cb 0.52 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1xa8 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xa8 n GLY 25 N 4.39 0.95 3.54 -1.23 0.00 -1.26 -5.03 105.19 106.56 1xa8 n GLY 25 Ca 0.22 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.60 1xa8 n GLY 25 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xa8 n PHE 26 N -2.00 1.55 -0.94 1.61 7.35 -0.58 -4.89 117.46 119.56 1xa8 n PHE 26 Ca 0.00 0.92 0.08 0.00 -0.76 0.00 0.00 57.45 57.69 1xa8 n PHE 26 Cb 0.00 -2.28 0.34 0.00 0.35 0.00 0.00 39.48 37.89 1xa8 n PHE 26 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xa8 n ALA 27 N 5.68 3.49 0.00 3.13 0.00 -1.26 -4.09 120.51 127.45 1xa8 n ALA 27 Ca 0.40 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1xa8 n ALA 27 Cb -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1xa8 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xa8 n GLY 28 N 0.14 -0.33 0.00 0.00 0.00 -1.25 -3.31 105.19 100.44 1xa8 n GLY 28 Ca 0.25 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1xa8 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xa8 n GLY 29 N 0.00 1.34 2.92 -0.02 0.00 -0.15 -4.96 105.19 104.33 1xa8 n GLY 29 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1xa8 n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xa8 s THR 30 N -1.91 0.44 -0.10 2.61 -1.32 -1.26 -1.73 115.64 112.37 1xa8 s THR 30 Ca 0.00 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.30 1xa8 s THR 30 Cb 0.00 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1xa8 s THR 30 CO 0.00 0.16 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.81 1xa8 s LEU 31 N 0.35 3.52 0.11 9.08 1.02 -0.32 -4.17 118.68 128.27 1xa8 s LEU 31 Ca -0.04 0.10 0.05 0.00 0.02 0.00 0.00 54.13 54.26 1xa8 s LEU 31 Cb -0.08 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1xa8 s LEU 31 CO -0.00 0.35 -0.13 -1.38 0.02 0.00 0.00 176.35 175.21 1xa8 s HIS 32 N -0.69 1.28 0.88 0.29 -3.43 -0.76 -1.19 115.29 111.66 1xa8 s HIS 32 Ca 0.11 -0.59 -0.10 0.00 -0.80 0.00 0.00 55.06 53.68 1xa8 s HIS 32 Cb -0.12 -0.68 0.18 0.00 -1.43 0.00 0.00 32.58 30.54 1xa8 s HIS 32 CO 0.02 0.09 1.21 0.00 -2.00 0.00 0.00 174.74 174.07 1xa8 n LYS 34 N -3.45 4.03 -2.61 0.00 5.02 -1.26 -4.85 118.16 115.04 1xa8 n LYS 34 Ca 0.16 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.44 1xa8 n LYS 34 Cb 0.60 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 1xa8 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xa8 h SER 36 N 6.94 0.00 -3.46 0.00 4.64 -2.03 -3.39 113.55 116.25 1xa8 h SER 36 Ca -0.38 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.33 1xa8 h SER 36 Cb 1.20 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.91 1xa8 h SER 36 CO 0.80 0.06 -0.80 0.28 -0.87 0.00 0.00 176.83 176.29 1xa8 s THR 37 N -3.71 1.57 -0.71 2.95 -1.32 -1.26 -4.90 115.64 108.26 1xa8 s THR 37 Ca 0.01 -1.01 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 1xa8 s THR 37 Cb 0.10 -1.69 0.01 0.00 -1.51 0.00 0.00 72.50 69.40 1xa8 s THR 37 CO 0.56 0.11 0.64 0.59 -2.21 0.00 0.00 174.62 174.32 1xa8 n ASN 38 N 4.70 -6.11 -4.79 8.08 5.03 -1.26 -4.98 115.26 115.93 1xa8 n ASN 38 Ca -0.14 -0.44 -0.35 0.00 0.87 0.00 0.00 54.58 54.51 1xa8 n ASN 38 Cb 0.46 -3.10 -0.04 0.00 -1.02 0.00 0.00 39.78 36.08 1xa8 n ASN 38 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1xa8 s PRO 39 N -3.79 4.01 0.21 3.52 0.02 -1.26 -4.87 135.00 132.84 1xa8 s PRO 39 Ca 0.08 1.43 -0.32 0.00 0.02 0.00 0.00 61.00 62.21 1xa8 s PRO 39 Cb -0.01 -2.34 -0.14 0.00 0.02 0.00 0.00 34.50 32.03 1xa8 s PRO 39 CO 0.84 -0.26 1.40 0.28 -0.33 0.00 0.00 177.00 178.93 1xa8 n VAL 40 N -0.47 0.73 -3.67 3.83 0.31 -1.26 -4.40 118.33 113.39 1xa8 n VAL 40 Ca 0.07 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 1xa8 n VAL 40 Cb 0.51 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 31.89 1xa8 n VAL 40 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1xa8 s ARG 41 N -0.13 -0.05 -0.14 5.55 3.52 -0.42 -1.59 118.95 125.69 1xa8 s ARG 41 Ca 0.71 0.43 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 1xa8 s ARG 41 Cb -0.69 -0.44 0.02 0.00 -1.56 0.00 0.00 34.95 32.28 1xa8 s ARG 41 CO 0.48 -0.32 -0.16 0.08 -0.81 0.00 0.00 175.30 174.57 1xa8 s VAL 42 N 2.18 1.68 -0.14 7.11 1.01 -0.33 0.12 120.40 132.02 1xa8 s VAL 42 Ca 0.04 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 1xa8 s VAL 42 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1xa8 s VAL 42 CO -0.04 0.48 0.75 0.00 0.00 0.00 0.00 175.10 176.29 1xa8 s ALA 43 N 1.29 3.47 -0.47 5.51 0.00 0.12 -1.17 121.76 130.50 1xa8 s ALA 43 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1xa8 s ALA 43 Cb -0.14 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.01 1xa8 s ALA 43 CO -0.08 -0.48 0.21 0.08 0.00 0.00 0.00 175.76 175.49 1xa8 s VAL 44 N 1.72 2.64 -0.50 0.00 1.01 -0.71 -1.38 120.40 123.17 1xa8 s VAL 44 Ca 0.36 -2.93 0.01 0.00 0.00 0.00 0.00 61.98 59.42 1xa8 s VAL 44 Cb -0.17 -2.85 0.52 0.00 0.00 0.00 0.00 36.38 33.88 1xa8 s VAL 44 CO 0.14 -0.74 1.93 0.54 0.00 0.00 0.00 175.10 176.97 1xa8 n ARG 45 N 3.56 2.33 -4.05 2.72 1.74 -1.09 -0.98 116.66 120.89 1xa8 n ARG 45 Ca 0.05 -2.86 -0.10 0.00 -0.77 0.00 0.00 57.85 54.17 1xa8 n ARG 45 Cb 0.36 -2.12 -0.07 0.00 -1.02 0.00 0.00 32.46 29.61 1xa8 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xa8 s ALA 46 N -3.23 0.16 0.34 7.54 0.00 -1.21 -4.75 121.76 120.61 1xa8 s ALA 46 Ca 0.55 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 1xa8 s ALA 46 Cb 0.45 1.15 -0.09 0.00 0.00 0.00 0.00 23.12 24.63 1xa8 s ALA 46 CO 0.05 -0.77 1.14 -1.14 0.00 0.00 0.00 175.76 175.04 1xa8 s GLN 47 N -4.05 4.36 0.93 0.00 2.00 -1.26 -3.84 119.66 117.79 1xa8 s GLN 47 Ca 0.27 1.83 -0.12 0.00 -2.00 0.00 0.00 55.36 55.33 1xa8 s GLN 47 Cb 0.02 -2.93 0.15 0.00 0.80 0.00 0.00 33.01 31.05 1xa8 s GLN 47 CO 0.09 -0.05 1.13 0.95 -0.50 0.00 0.00 175.29 176.91 1xa8 s THR 48 N -1.31 2.03 0.06 -0.34 -4.23 -1.26 -4.89 115.64 105.70 1xa8 s THR 48 Ca 0.51 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1xa8 s THR 48 Cb -0.31 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1xa8 s THR 48 CO 0.40 -0.01 -0.05 0.00 -0.54 0.00 0.00 174.62 174.42 1xa8 s ALA 49 N -3.22 0.65 -1.45 3.99 0.00 -0.57 -4.50 121.76 116.66 1xa8 s ALA 49 Ca 0.64 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1xa8 s ALA 49 Cb -0.15 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1xa8 s ALA 49 CO 0.54 -0.27 0.92 0.72 0.00 0.00 0.00 175.76 177.67 1xa8 n HIS 50 N 0.32 -2.43 -2.00 0.00 8.25 -1.26 -2.26 115.22 115.83 1xa8 n HIS 50 Ca -0.15 0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 57.70 1xa8 n HIS 50 Cb 0.60 -4.58 -0.01 0.00 1.12 0.00 0.00 29.99 27.11 1xa8 n HIS 50 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xa8 s ASN 51 N -3.07 6.60 0.16 0.41 2.47 -1.26 -4.61 114.94 115.65 1xa8 s ASN 51 Ca 0.49 2.82 -0.24 0.00 0.42 0.00 0.00 52.86 56.35 1xa8 s ASN 51 Cb -0.22 -2.66 0.06 0.00 -1.45 0.00 0.00 41.25 36.98 1xa8 s ASN 51 CO 0.61 -0.67 0.74 -1.38 -3.72 0.00 0.00 177.10 172.68 1xa8 s HIS 52 N -1.14 -0.35 0.28 0.43 -3.43 -0.85 -1.02 115.29 109.21 1xa8 s HIS 52 Ca 0.50 0.07 -0.12 0.00 -0.80 0.00 0.00 55.06 54.72 1xa8 s HIS 52 Cb -0.42 0.61 -0.08 0.00 -1.43 0.00 0.00 32.58 31.26 1xa8 s HIS 52 CO 0.56 -0.90 0.64 0.14 -2.00 0.00 0.00 174.74 173.18 1xa8 s VAL 53 N -3.62 4.83 -0.04 -5.38 -7.23 -0.74 -1.89 120.40 106.33 1xa8 s VAL 53 Ca 0.06 0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 60.88 1xa8 s VAL 53 Cb -0.02 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.32 1xa8 s VAL 53 CO -0.04 -0.16 0.02 0.00 -0.31 0.00 0.00 175.10 174.60 1xa8 n GLY 55 N 4.51 -0.82 3.70 0.00 0.00 0.65 -0.82 105.19 112.41 1xa8 n GLY 55 Ca -0.19 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 1xa8 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h THR 57 N 3.62 0.89 0.00 0.00 1.35 -1.93 -3.13 112.91 113.72 1xa8 h THR 57 Ca -0.44 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1xa8 h THR 57 Cb 1.23 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1xa8 h THR 57 CO 0.90 0.12 -0.25 0.11 -0.25 0.00 0.00 175.52 176.16 1xa8 h LYS 58 N 0.00 0.00 -5.83 4.72 1.57 -2.00 -3.46 116.57 111.58 1xa8 h LYS 58 Ca -0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1xa8 h LYS 58 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1xa8 h LYS 58 CO 0.02 0.00 -0.50 0.00 -0.57 0.00 0.00 179.45 178.39 1xa8 s TRP 60 N -1.31 2.97 -0.00 0.00 -0.00 -1.26 -4.84 118.94 114.50 1xa8 s TRP 60 Ca 0.27 0.84 0.08 0.00 -0.00 0.00 0.00 56.10 57.29 1xa8 s TRP 60 Cb -0.13 -3.68 -0.02 0.00 -0.00 0.00 0.00 33.47 29.64 1xa8 s TRP 60 CO 0.18 -2.49 -0.24 0.15 -0.00 0.00 0.00 176.95 174.55 1xa8 s LYS 61 N 1.92 2.07 0.82 5.86 1.02 -1.26 -4.50 119.74 125.68 1xa8 s LYS 61 Ca 0.65 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 1xa8 s LYS 61 Cb -0.34 -2.07 0.09 0.00 -0.52 0.00 0.00 37.83 34.99 1xa8 s LYS 61 CO 0.28 0.55 1.15 -1.25 -0.92 0.00 0.00 175.35 175.16 1xa8 s PRO 62 N -0.86 1.66 -0.28 -1.68 0.04 -1.26 -4.84 135.00 127.78 1xa8 s PRO 62 Ca 0.11 1.50 -0.34 0.00 0.04 0.00 0.00 61.00 62.31 1xa8 s PRO 62 Cb -0.10 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1xa8 s PRO 62 CO 0.00 -2.15 2.11 0.39 0.04 0.00 0.00 177.00 177.40 1xa8 n GLU 63 N -3.62 1.42 -1.91 4.56 -0.58 -1.26 -1.56 120.64 117.69 1xa8 n GLU 63 Ca 0.12 0.43 -0.03 0.00 -0.42 0.00 0.00 57.16 57.26 1xa8 n GLU 63 Cb 0.52 -2.59 -0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1xa8 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xa8 n GLY 64 N 5.87 0.30 3.81 0.62 0.00 -1.26 -5.08 105.19 109.45 1xa8 n GLY 64 Ca 0.35 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1xa8 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 s ALA 65 N -2.13 3.70 -0.32 4.61 0.00 -0.60 -5.03 121.76 121.99 1xa8 s ALA 65 Ca 0.00 -0.69 0.23 0.00 0.00 0.00 0.00 51.96 51.50 1xa8 s ALA 65 Cb 0.00 -1.85 0.40 0.00 0.00 0.00 0.00 23.12 21.67 1xa8 s ALA 65 CO 0.00 0.58 1.62 -0.84 0.00 0.00 0.00 175.76 177.12 1xa8 h ILE 66 N 4.09 0.17 -3.78 0.00 3.07 -1.80 -3.45 117.51 115.80 1xa8 h ILE 66 Ca -0.53 -1.17 -0.68 0.00 1.55 0.00 0.00 64.86 64.03 1xa8 h ILE 66 Cb 1.21 2.02 -0.20 0.00 -0.27 0.00 0.00 36.82 39.59 1xa8 h ILE 66 CO 0.58 0.09 -0.82 -0.36 -1.05 0.00 0.00 178.15 176.59 1xa8 s PHE 67 N -3.22 2.47 0.07 0.16 0.40 -0.87 -4.79 117.98 112.19 1xa8 s PHE 67 Ca 0.06 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1xa8 s PHE 67 Cb 0.06 -1.32 -0.05 0.00 0.51 0.00 0.00 43.02 42.22 1xa8 s PHE 67 CO 0.67 0.37 0.36 0.45 0.70 0.00 0.00 175.22 177.77 1xa8 s SER 68 N -2.12 6.58 -0.24 1.36 0.15 -0.00 -4.71 113.70 114.73 1xa8 s SER 68 Ca 0.17 0.70 -0.06 0.00 0.70 0.00 0.00 55.95 57.46 1xa8 s SER 68 Cb -0.10 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1xa8 s SER 68 CO 0.09 0.18 0.03 -1.58 1.20 0.00 0.00 173.24 173.16 1xa8 s GLN 69 N -1.95 3.57 -0.01 5.44 0.74 -1.26 0.19 119.66 126.38 1xa8 s GLN 69 Ca 0.32 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 55.19 1xa8 s GLN 69 Cb -0.14 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1xa8 s GLN 69 CO 0.18 -0.18 0.03 0.54 -0.55 0.00 0.00 175.29 175.32 1xa8 s VAL 70 N 1.53 0.01 0.18 1.34 0.11 -0.79 -4.50 120.40 118.27 1xa8 s VAL 70 Ca 0.06 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1xa8 s VAL 70 Cb -0.15 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1xa8 s VAL 70 CO 0.01 -0.03 0.11 0.00 -3.33 0.00 0.00 175.10 171.86 1xa8 n ALA 71 N 2.96 0.32 -2.92 1.54 0.00 -1.01 -2.01 120.51 119.40 1xa8 n ALA 71 Ca -0.13 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.15 1xa8 n ALA 71 Cb 0.59 0.74 -0.15 0.00 0.00 0.00 0.00 19.45 20.64 1xa8 n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xa8 s VAL 72 N -2.50 0.39 0.08 0.00 0.11 -0.96 -1.02 120.40 116.50 1xa8 s VAL 72 Ca 0.15 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1xa8 s VAL 72 Cb 0.01 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1xa8 s VAL 72 CO 0.11 0.12 -0.12 0.54 -3.33 0.00 0.00 175.10 172.42 1xa8 s VAL 73 N 0.06 0.98 0.08 2.04 0.11 -0.11 -1.52 120.40 122.04 1xa8 s VAL 73 Ca -0.00 -1.38 -0.37 0.00 -2.93 0.00 0.00 61.98 57.29 1xa8 s VAL 73 Cb -0.04 -1.10 -0.17 0.00 -1.53 0.00 0.00 36.38 33.54 1xa8 s VAL 73 CO -0.00 -0.36 1.24 0.61 -3.33 0.00 0.00 175.10 173.26 1xa8 n GLY 74 N 1.06 0.21 0.15 6.54 0.00 -1.26 0.75 105.19 112.64 1xa8 n GLY 74 Ca -0.20 0.69 0.13 0.00 0.00 0.00 0.00 46.02 46.64 1xa8 n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xa8 h ARG 75 N 3.99 0.00 -0.45 1.61 2.43 -0.87 -2.06 114.38 119.03 1xa8 h ARG 75 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1xa8 h ARG 75 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1xa8 h ARG 75 CO 0.73 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.79 1xa8 n ASP 76 N -2.34 3.07 0.08 -3.80 5.68 -1.26 -3.53 116.55 114.45 1xa8 n ASP 76 Ca 0.02 -1.95 -0.03 0.00 -0.50 0.00 0.00 54.79 52.33 1xa8 n ASP 76 Cb 0.25 -0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 39.87 1xa8 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xa8 h ALA 77 N 4.26 0.52 -2.50 2.12 0.00 -1.74 -3.48 119.26 118.44 1xa8 h ALA 77 Ca 0.00 -0.78 -0.52 0.00 0.00 0.00 0.00 54.91 53.61 1xa8 h ALA 77 Cb 0.83 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1xa8 h ALA 77 CO 0.00 1.02 0.04 -0.48 0.00 0.00 0.00 179.25 179.83 1xa8 s LEU 78 N -6.52 4.26 -0.27 0.00 0.05 -1.23 -2.66 118.68 112.33 1xa8 s LEU 78 Ca 0.01 1.26 -0.10 0.00 0.05 0.00 0.00 54.13 55.35 1xa8 s LEU 78 Cb 0.09 -3.62 0.11 0.00 -2.05 0.00 0.00 46.19 40.71 1xa8 s LEU 78 CO 0.79 -0.01 0.59 -0.70 -0.55 0.00 0.00 176.35 176.48 1xa8 s GLU 79 N -2.26 0.54 -0.48 1.48 2.12 -0.48 -5.01 118.70 114.61 1xa8 s GLU 79 Ca 0.44 1.28 -0.28 0.00 0.36 0.00 0.00 54.97 56.78 1xa8 s GLU 79 Cb -0.14 0.56 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1xa8 s GLU 79 CO 0.20 -0.20 1.50 0.08 -0.54 0.00 0.00 175.26 176.30 1xa8 s VAL 80 N 2.50 3.76 -0.04 3.70 1.01 -1.26 0.13 120.40 130.19 1xa8 s VAL 80 Ca -0.06 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 1xa8 s VAL 80 Cb -0.10 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1xa8 s VAL 80 CO -0.17 -0.90 0.08 -0.07 0.00 0.00 0.00 175.10 174.03 1xa8 h LEU 81 N 13.12 -0.03 -9.34 3.92 3.38 0.57 -3.47 115.31 123.47 1xa8 h LEU 81 Ca -0.28 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.08 1xa8 h LEU 81 Cb 1.11 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 1xa8 h LEU 81 CO 1.13 0.18 -0.72 -0.70 0.09 0.00 0.00 178.44 178.42 1xa8 s GLU 82 N -1.45 2.05 0.00 1.13 2.12 -0.60 -4.83 118.70 117.13 1xa8 s GLU 82 Ca -0.01 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 53.99 1xa8 s GLU 82 Cb 0.00 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1xa8 s GLU 82 CO 0.02 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1xa8 n GLY 83 N -0.14 0.64 0.00 -1.50 0.00 -1.26 -1.30 105.19 101.62 1xa8 n GLY 83 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1xa8 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 n ALA 84 N 0.09 -0.00 -0.22 4.61 0.00 -1.26 -1.07 120.51 122.66 1xa8 n ALA 84 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1xa8 n ALA 84 Cb 0.00 0.47 0.38 0.00 0.00 0.00 0.00 19.45 20.30 1xa8 n ALA 84 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1xa8 n GLU 85 N -2.77 0.01 0.00 0.00 0.00 -1.26 -0.25 120.64 116.37 1xa8 n GLU 85 Ca 0.00 0.84 0.14 0.00 0.00 0.00 0.00 57.16 58.14 1xa8 n GLU 85 Cb 0.00 -2.07 0.57 0.00 0.00 0.00 0.00 31.44 29.94 1xa8 n GLU 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1xa8 n LYS 86 N -2.95 0.18 -3.07 3.44 5.02 -0.23 -4.90 118.16 115.64 1xa8 n LYS 86 Ca 0.21 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 56.14 1xa8 n LYS 86 Cb 1.29 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 1xa8 n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xa8 s LEU 87 N -2.85 4.02 -0.11 -0.35 1.43 0.65 -0.86 118.68 120.61 1xa8 s LEU 87 Ca 0.18 1.32 -0.27 0.00 -1.03 0.00 0.00 54.13 54.32 1xa8 s LEU 87 Cb 0.19 -4.13 0.06 0.00 0.03 0.00 0.00 46.19 42.34 1xa8 s LEU 87 CO 0.54 -0.24 0.65 -1.83 0.23 0.00 0.00 176.35 175.70 1xa8 s GLU 88 N -3.09 0.95 -0.08 1.70 -1.05 -0.16 -4.86 118.70 112.10 1xa8 s GLU 88 Ca 0.55 0.42 -0.20 0.00 -0.15 0.00 0.00 54.97 55.59 1xa8 s GLU 88 Cb -0.10 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1xa8 s GLU 88 CO 0.18 -0.25 0.56 0.42 0.95 0.00 0.00 175.26 177.12 1xa8 s ILE 89 N -0.75 5.09 0.25 1.83 1.09 -1.26 -0.83 121.20 126.63 1xa8 s ILE 89 Ca -0.08 1.14 0.04 0.00 -1.10 0.00 0.00 60.65 60.65 1xa8 s ILE 89 Cb -0.02 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1xa8 s ILE 89 CO 0.07 0.33 1.60 0.58 -0.10 0.00 0.00 174.94 177.42 1xa8 h VAL 90 N 4.58 1.35 -1.62 2.92 2.07 -1.78 -3.43 116.25 120.35 1xa8 h VAL 90 Ca -0.42 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 1xa8 h VAL 90 Cb 1.19 1.87 -0.25 0.00 -1.52 0.00 0.00 31.29 32.57 1xa8 h VAL 90 CO 0.74 0.54 -0.36 0.21 0.02 0.00 0.00 177.57 178.72 1xa8 s ASN 91 N -6.89 -0.55 0.32 0.57 3.84 -1.26 -5.02 114.94 105.94 1xa8 s ASN 91 Ca -0.05 0.67 0.26 0.00 0.21 0.00 0.00 52.86 53.95 1xa8 s ASN 91 Cb 0.12 1.64 1.09 0.00 -0.55 0.00 0.00 41.25 43.55 1xa8 s ASN 91 CO 0.79 -0.27 1.77 0.00 -2.79 0.00 0.00 177.10 176.60 1xa8 h ALA 92 N 8.10 1.00 -0.01 1.71 0.00 -1.96 -2.93 119.26 125.16 1xa8 h ALA 92 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xa8 h ALA 92 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xa8 h ALA 92 CO 0.24 0.00 -0.38 -1.91 0.00 0.00 0.00 179.25 177.20 1xa8 n GLU 93 N -2.41 0.69 -3.05 0.00 4.07 -1.26 -4.90 120.64 113.79 1xa8 n GLU 93 Ca 0.02 -0.45 -0.36 0.00 -0.06 0.00 0.00 57.16 56.31 1xa8 n GLU 93 Cb 0.23 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.06 1xa8 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xa8 s ALA 94 N -2.62 3.37 0.31 4.31 0.00 -1.11 -4.97 121.76 121.04 1xa8 s ALA 94 Ca 0.20 0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.49 1xa8 s ALA 94 Cb 0.19 -2.88 0.53 0.00 0.00 0.00 0.00 23.12 20.96 1xa8 s ALA 94 CO 0.58 0.30 1.71 -1.35 0.00 0.00 0.00 175.76 177.00 1xa8 h PRO 95 N 3.25 0.00 -5.02 0.00 0.11 -1.90 -3.33 132.00 125.10 1xa8 h PRO 95 Ca -0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.97 1xa8 h PRO 95 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1xa8 h PRO 95 CO 0.65 0.50 -0.19 0.42 -0.21 0.00 0.00 178.00 179.17 1xa8 s ILE 96 N -3.85 5.09 -0.59 4.15 1.01 -1.26 -4.46 121.20 121.29 1xa8 s ILE 96 Ca -0.02 0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 1xa8 s ILE 96 Cb 0.13 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1xa8 s ILE 96 CO 0.74 -0.22 1.11 -1.10 0.00 0.00 0.00 174.94 175.46 1xa8 s GLN 97 N 2.18 3.40 0.03 2.79 -0.21 0.34 -4.80 119.66 123.39 1xa8 s GLN 97 Ca 0.14 -0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.19 1xa8 s GLN 97 Cb -0.16 -4.05 -0.05 0.00 1.00 0.00 0.00 33.01 29.74 1xa8 s GLN 97 CO 0.13 -1.67 1.18 1.03 -2.12 0.00 0.00 175.29 173.84 1xa8 s ARG 98 N 4.66 4.43 -0.42 2.91 0.52 -1.26 -0.69 118.95 129.09 1xa8 s ARG 98 Ca 0.37 1.72 -0.06 0.00 -0.52 0.00 0.00 55.73 57.25 1xa8 s ARG 98 Cb -0.10 -3.40 0.10 0.00 0.52 0.00 0.00 34.95 32.08 1xa8 s ARG 98 CO 0.21 -0.28 0.24 -1.01 0.02 0.00 0.00 175.30 174.49 1xa8 s HIS 99 N 1.28 3.49 0.27 -0.53 3.76 -0.20 -1.96 115.29 121.41 1xa8 s HIS 99 Ca 0.58 -2.10 0.10 0.00 -0.15 0.00 0.00 55.06 53.48 1xa8 s HIS 99 Cb -0.28 -3.20 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 1xa8 s HIS 99 CO 0.28 -0.95 -0.00 -0.98 -0.85 0.00 0.00 174.74 172.23 1xa8 s ARG 100 N 1.25 2.28 -0.03 1.40 1.70 -0.01 -0.63 118.95 124.91 1xa8 s ARG 100 Ca 0.06 -1.44 -0.30 0.00 -0.47 0.00 0.00 55.73 53.58 1xa8 s ARG 100 Cb -0.24 -2.15 -0.05 0.00 -0.57 0.00 0.00 34.95 31.95 1xa8 s ARG 100 CO -0.02 0.35 1.46 0.00 -1.08 0.00 0.00 175.30 176.00 1xa8 h ARG 102 N 8.33 0.02 0.00 0.00 2.43 -1.33 0.11 114.38 123.94 1xa8 h ARG 102 Ca -0.37 -0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.39 1xa8 h ARG 102 Cb 1.17 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 1xa8 h ARG 102 CO 0.93 0.02 -2.31 -0.25 -1.51 0.00 0.00 179.97 176.84 1xa8 n ASP 103 N -4.26 1.95 0.00 -3.80 10.43 -1.26 -4.56 116.55 115.04 1xa8 n ASP 103 Ca 0.20 0.35 0.11 0.00 2.57 0.00 0.00 54.79 58.02 1xa8 n ASP 103 Cb 1.02 -0.83 -0.11 0.00 1.84 0.00 0.00 41.12 43.04 1xa8 n ASP 103 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xa8 n GLY 105 N 1.41 0.35 3.77 0.00 0.00 0.38 -5.00 105.19 106.11 1xa8 n GLY 105 Ca 0.01 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1xa8 n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 106 N -1.58 2.44 -0.07 1.61 1.01 -1.26 -4.69 120.40 117.86 1xa8 s VAL 106 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 1xa8 s VAL 106 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1xa8 s VAL 106 CO 0.00 0.07 0.66 -1.00 0.00 0.00 0.00 175.10 174.84 1xa8 s HIS 107 N -1.21 3.57 -0.19 5.22 0.09 -1.26 -1.46 115.29 120.04 1xa8 s HIS 107 Ca 0.56 1.19 0.03 0.00 -0.00 0.00 0.00 55.06 56.84 1xa8 s HIS 107 Cb -0.41 -2.76 -0.21 0.00 -0.00 0.00 0.00 32.58 29.20 1xa8 s HIS 107 CO 0.53 0.11 0.06 -1.33 -0.00 0.00 0.00 174.74 174.11 1xa8 n MET 108 N 3.73 0.69 -3.52 1.40 2.00 0.20 -4.69 117.12 116.92 1xa8 n MET 108 Ca -0.02 0.17 -0.17 0.00 0.00 0.00 0.00 57.70 57.67 1xa8 n MET 108 Cb 0.51 -1.60 -0.06 0.00 0.00 0.00 0.00 33.22 32.08 1xa8 n MET 108 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1xa8 s TYR 109 N -2.53 -0.63 -0.15 2.03 -0.85 -1.22 -4.55 117.35 109.45 1xa8 s TYR 109 Ca -0.25 1.06 -0.05 0.00 -0.52 0.00 0.00 57.07 57.31 1xa8 s TYR 109 Cb 0.08 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1xa8 s TYR 109 CO 0.70 -0.59 0.02 0.20 -1.52 0.00 0.00 175.55 174.36 1xa8 s GLY 110 N -1.22 1.83 -0.01 5.49 0.00 -0.02 -1.03 107.32 112.35 1xa8 s GLY 110 Ca -0.10 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1xa8 s GLY 110 CO 0.09 -0.13 -0.15 -1.60 0.00 0.00 0.00 173.10 171.30 1xa8 s ARG 111 N 0.06 1.26 -0.35 2.90 3.52 0.13 -1.48 118.95 125.00 1xa8 s ARG 111 Ca 0.03 -0.55 -0.10 0.00 -0.13 0.00 0.00 55.73 54.97 1xa8 s ARG 111 Cb -0.13 -1.22 0.01 0.00 -1.56 0.00 0.00 34.95 32.06 1xa8 s ARG 111 CO 0.02 0.33 0.18 0.42 -0.81 0.00 0.00 175.30 175.44 1xa8 s ILE 112 N -0.36 4.56 0.00 4.11 1.09 -1.26 -0.51 121.20 128.83 1xa8 s ILE 112 Ca 0.06 -0.70 0.08 0.00 -1.10 0.00 0.00 60.65 58.98 1xa8 s ILE 112 Cb -0.06 -3.46 -0.23 0.00 -1.06 0.00 0.00 42.46 37.64 1xa8 s ILE 112 CO -0.01 -0.12 0.83 -0.33 -0.10 0.00 0.00 174.94 175.22 1xa8 h GLU 113 N 8.40 0.05 -6.26 2.79 3.07 -1.96 -3.42 114.58 117.26 1xa8 h GLU 113 Ca -0.28 -0.09 -0.57 0.00 -0.50 0.00 0.00 59.36 57.92 1xa8 h GLU 113 Cb 1.12 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 1xa8 h GLU 113 CO 0.65 0.76 0.96 1.21 -1.40 0.00 0.00 179.01 181.18 1xa8 s ASN 114 N -6.43 6.76 0.04 1.42 3.84 -1.26 -4.92 114.94 114.39 1xa8 s ASN 114 Ca -0.05 1.48 0.20 0.00 0.21 0.00 0.00 52.86 54.70 1xa8 s ASN 114 Cb 0.08 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 39.10 1xa8 s ASN 114 CO 0.82 -0.96 1.65 -1.14 -2.79 0.00 0.00 177.10 174.68 1xa8 n ARG 115 N 7.04 0.04 -0.31 0.43 0.63 -1.26 -2.59 116.66 120.64 1xa8 n ARG 115 Ca 0.15 0.19 0.12 0.00 -0.92 0.00 0.00 57.85 57.39 1xa8 n ARG 115 Cb 0.46 -1.56 0.29 0.00 0.45 0.00 0.00 32.46 32.10 1xa8 n ARG 115 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xa8 n ASP 116 N -1.62 3.80 -4.80 6.15 10.43 -1.26 -4.93 116.55 124.32 1xa8 n ASP 116 Ca 0.05 -2.00 -0.38 0.00 2.57 0.00 0.00 54.79 55.03 1xa8 n ASP 116 Cb 0.24 -0.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.73 1xa8 n ASP 116 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1xa8 s HIS 117 N -1.15 3.72 0.58 1.24 2.46 -1.07 -4.98 115.29 116.09 1xa8 s HIS 117 Ca 0.46 1.10 0.30 0.00 0.47 0.00 0.00 55.06 57.39 1xa8 s HIS 117 Cb 0.25 -2.44 1.42 0.00 -0.13 0.00 0.00 32.58 31.68 1xa8 s HIS 117 CO 0.33 0.53 1.80 -1.35 -2.47 0.00 0.00 174.74 173.57 1xa8 h PRO 118 N 5.03 0.00 -0.55 2.88 0.10 -1.93 -1.94 132.00 135.59 1xa8 h PRO 118 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1xa8 h PRO 118 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1xa8 h PRO 118 CO 0.65 0.00 0.00 1.19 0.10 0.00 0.00 178.00 179.94 1xa8 n PHE 119 N -3.78 0.72 -1.66 0.65 3.72 -1.26 -4.98 117.46 110.87 1xa8 n PHE 119 Ca 0.14 -0.45 -0.44 0.00 -0.05 0.00 0.00 57.45 56.66 1xa8 n PHE 119 Cb 0.91 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.42 1xa8 n PHE 119 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1xa8 n TYR 120 N 1.26 2.02 -0.03 1.38 9.36 -0.73 -1.34 117.16 129.07 1xa8 n TYR 120 Ca 0.19 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.95 1xa8 n TYR 120 Cb 0.55 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 1xa8 n TYR 120 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xa8 n GLY 121 N 1.45 1.36 3.13 2.98 0.00 -1.26 -5.05 105.19 107.80 1xa8 n GLY 121 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1xa8 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xa8 s LEU 122 N 0.00 2.05 0.31 0.99 1.43 -0.45 -0.15 118.68 122.86 1xa8 s LEU 122 Ca 0.00 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1xa8 s LEU 122 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1xa8 s LEU 122 CO 0.00 0.04 0.54 -1.81 0.23 0.00 0.00 176.35 175.34 1xa8 s ASP 123 N 1.04 6.36 -0.20 2.29 1.01 0.23 -4.53 116.67 122.86 1xa8 s ASP 123 Ca -0.02 0.55 -0.09 0.00 0.71 0.00 0.00 52.55 53.70 1xa8 s ASP 123 Cb -0.14 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1xa8 s ASP 123 CO -0.06 -0.23 0.10 -0.36 0.21 0.00 0.00 175.17 174.83 1xa8 s PHE 124 N -2.19 3.30 -0.02 4.23 0.08 -0.55 -0.94 117.98 121.90 1xa8 s PHE 124 Ca 0.41 0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.67 1xa8 s PHE 124 Cb -0.10 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1xa8 s PHE 124 CO 0.33 0.14 -0.18 0.14 -0.10 0.00 0.00 175.22 175.56 1xa8 s VAL 125 N 0.60 1.40 -0.73 -0.44 -7.23 -0.19 -0.84 120.40 112.96 1xa8 s VAL 125 Ca 0.06 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.28 1xa8 s VAL 125 Cb -0.12 -1.17 0.11 0.00 0.56 0.00 0.00 36.38 35.75 1xa8 s VAL 125 CO 0.01 0.40 0.93 -1.00 -0.31 0.00 0.00 175.10 175.13 1xa8 s HIS 126 N -0.34 2.96 -0.43 2.82 3.76 -1.26 -2.40 115.29 120.39 1xa8 s HIS 126 Ca 0.05 -1.00 0.25 0.00 -0.15 0.00 0.00 55.06 54.21 1xa8 s HIS 126 Cb -0.08 -4.19 1.01 0.00 1.11 0.00 0.00 32.58 30.43 1xa8 s HIS 126 CO -0.00 -1.47 1.75 1.79 -0.85 0.00 0.00 174.74 175.96 1xa8 h THR 127 N 5.86 0.00 0.00 1.30 1.35 -1.96 -1.53 112.91 117.93 1xa8 h THR 127 Ca -0.13 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1xa8 h THR 127 Cb 1.06 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1xa8 h THR 127 CO 1.11 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 174.54 1xa8 n GLU 128 N -2.36 0.06 -0.01 4.72 0.28 -1.26 -1.46 120.64 120.61 1xa8 n GLU 128 Ca 0.02 0.56 0.13 0.00 -0.16 0.00 0.00 57.16 57.71 1xa8 n GLU 128 Cb 0.26 -1.70 0.65 0.00 1.43 0.00 0.00 31.44 32.08 1xa8 n GLU 128 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xa8 n LEU 129 N -1.83 0.61 -4.79 -1.84 4.77 -0.58 -4.74 117.00 108.60 1xa8 n LEU 129 Ca -0.01 -0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.39 1xa8 n LEU 129 Cb 0.02 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1xa8 n LEU 129 CO 0.04 0.11 -0.24 -0.55 -1.33 0.00 0.00 177.39 175.43 1xa8 s SER 130 N -1.81 5.83 0.31 -1.43 0.15 -0.53 -1.83 113.70 114.38 1xa8 s SER 130 Ca 0.38 0.29 0.23 0.00 0.70 0.00 0.00 55.95 57.55 1xa8 s SER 130 Cb 0.19 -1.77 0.27 0.00 -1.71 0.00 0.00 66.02 63.00 1xa8 s SER 130 CO 0.30 0.37 1.41 0.44 1.20 0.00 0.00 173.24 176.96 1xa8 h ASP 131 N 4.84 0.00 -3.36 5.45 3.32 -1.85 -3.46 116.42 121.36 1xa8 h ASP 131 Ca -0.52 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 55.95 1xa8 h ASP 131 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1xa8 h ASP 131 CO 0.58 0.01 0.06 -1.83 -1.72 0.00 0.00 179.24 176.34 1xa8 s GLU 132 N -3.25 4.37 0.34 3.56 -1.05 -1.26 -5.10 118.70 116.31 1xa8 s GLU 132 Ca 0.05 0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 55.74 1xa8 s GLU 132 Cb 0.08 -3.27 -0.05 0.00 -0.44 0.00 0.00 34.13 30.45 1xa8 s GLU 132 CO 0.71 0.55 0.60 -0.51 0.95 0.00 0.00 175.26 177.56 1xa8 s ASP 133 N -0.91 6.39 0.00 0.83 1.01 -1.26 -4.74 116.67 117.99 1xa8 s ASP 133 Ca 0.32 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1xa8 s ASP 133 Cb -0.21 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1xa8 s ASP 133 CO 0.22 -0.29 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1xa8 n GLY 134 N -1.33 1.41 3.72 0.21 0.00 -1.26 -4.91 105.19 103.02 1xa8 n GLY 134 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1xa8 n GLY 134 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xa8 s TRP 135 N -2.00 2.09 -0.08 1.61 0.52 -1.26 -2.28 118.94 117.54 1xa8 s TRP 135 Ca 0.00 1.60 -0.39 0.00 0.02 0.00 0.00 56.10 57.33 1xa8 s TRP 135 Cb 0.00 -3.44 -0.18 0.00 -1.15 0.00 0.00 33.47 28.71 1xa8 s TRP 135 CO 0.00 -2.53 1.39 0.45 0.02 0.00 0.00 176.95 176.28 1xa8 n SER 136 N -2.75 1.35 -4.76 2.95 2.88 -1.26 -3.89 113.62 108.13 1xa8 n SER 136 Ca 0.13 1.13 -0.36 0.00 -1.33 0.00 0.00 58.87 58.44 1xa8 n SER 136 Cb 0.50 -1.08 0.02 0.00 -0.75 0.00 0.00 64.21 62.90 1xa8 n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xa8 s ALA 137 N 1.31 2.63 0.35 -1.46 0.00 -1.26 -4.67 121.76 118.65 1xa8 s ALA 137 Ca 0.91 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 53.52 1xa8 s ALA 137 Cb -1.12 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 18.50 1xa8 s ALA 137 CO 0.57 -0.96 1.21 -2.14 0.00 0.00 0.00 175.76 174.44 1xa8 s PRO 138 N -3.30 4.30 0.00 0.00 0.02 -1.26 -4.12 135.00 130.65 1xa8 s PRO 138 Ca 0.75 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1xa8 s PRO 138 Cb -0.27 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1xa8 s PRO 138 CO 0.30 -0.15 0.00 0.39 -0.33 0.00 0.00 177.00 177.21 1xa8 n GLU 139 N 0.60 2.91 -2.69 5.54 1.02 -0.19 -4.92 120.64 122.91 1xa8 n GLU 139 Ca 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 1xa8 n GLU 139 Cb 0.44 -0.98 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 1xa8 n GLU 139 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1xa8 n PHE 140 N -2.07 -1.57 -4.90 -0.32 1.16 -1.26 -4.25 117.46 104.25 1xa8 n PHE 140 Ca 0.00 -1.15 -0.32 0.00 -1.87 0.00 0.00 57.45 54.11 1xa8 n PHE 140 Cb 0.48 0.47 -0.17 0.00 -1.61 0.00 0.00 39.48 38.66 1xa8 n PHE 140 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xa8 s ALA 141 N -1.80 2.13 0.15 1.98 0.00 -0.82 -1.79 121.76 121.61 1xa8 s ALA 141 Ca 0.11 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1xa8 s ALA 141 Cb -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1xa8 s ALA 141 CO 0.08 0.12 0.00 0.00 0.00 0.00 0.00 175.76 175.97 1xa8 s ALA 142 N 0.60 3.24 -1.59 0.00 0.00 0.10 -0.75 121.76 123.37 1xa8 s ALA 142 Ca -0.13 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 1xa8 s ALA 142 Cb -0.17 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 21.99 1xa8 s ALA 142 CO 0.03 0.55 0.73 1.19 0.00 0.00 0.00 175.76 178.26 1xa8 n PHE 143 N 0.09 -1.84 -0.30 0.00 3.72 -0.21 -0.25 117.46 118.67 1xa8 n PHE 143 Ca -0.10 0.81 -0.02 0.00 -0.05 0.00 0.00 57.45 58.09 1xa8 n PHE 143 Cb 0.54 -3.39 0.10 0.00 -0.94 0.00 0.00 39.48 35.79 1xa8 n PHE 143 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xa8 h VAL 144 N -1.71 1.14 0.00 -4.37 2.07 -1.27 -2.62 116.25 109.48 1xa8 h VAL 144 Ca -0.60 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1xa8 h VAL 144 Cb 1.38 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xa8 h VAL 144 CO 0.72 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.96 1xa8 n SER 145 N -4.56 0.31 0.06 0.57 3.41 -1.26 -2.80 113.62 109.35 1xa8 n SER 145 Ca 0.10 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1xa8 n SER 145 Cb 0.08 -0.65 0.30 0.00 -0.26 0.00 0.00 64.21 63.68 1xa8 n SER 145 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xa8 n SER 146 N -1.86 0.66 -0.07 4.04 7.64 -0.99 -3.29 113.62 119.76 1xa8 n SER 146 Ca 0.02 0.28 -0.00 0.00 1.01 0.00 0.00 58.87 60.18 1xa8 n SER 146 Cb 0.17 -0.22 0.27 0.00 -1.01 0.00 0.00 64.21 63.42 1xa8 n SER 146 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xa8 h ILE 147 N 0.00 1.19 -1.17 0.44 3.07 -1.54 -0.65 117.51 118.85 1xa8 h ILE 147 Ca 0.00 -0.66 0.33 0.00 1.55 0.00 0.00 64.86 66.08 1xa8 h ILE 147 Cb 0.70 0.70 -0.06 0.00 -0.27 0.00 0.00 36.82 37.88 1xa8 h ILE 147 CO 0.00 0.25 0.82 0.40 -1.05 0.00 0.00 178.15 178.56 1xa8 h ILE 148 N 0.66 0.42 0.00 0.16 2.04 -1.72 -1.30 117.51 117.77 1xa8 h ILE 148 Ca 0.15 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xa8 h ILE 148 Cb 0.21 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1xa8 h ILE 148 CO -0.01 0.02 0.00 -0.33 0.00 0.00 0.00 178.15 177.83 1xa8 h GLU 149 N 0.11 0.00 -0.70 2.37 5.08 -1.33 -2.68 114.58 117.44 1xa8 h GLU 149 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1xa8 h GLU 149 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1xa8 h GLU 149 CO -0.10 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.34 1xa8 n SER 150 N -2.34 3.91 0.00 1.42 7.64 -0.50 -4.96 113.62 118.80 1xa8 n SER 150 Ca 0.04 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1xa8 n SER 150 Cb 0.38 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1xa8 n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xa8 n GLY 151 N 1.64 1.40 3.70 0.23 0.00 -1.01 -5.10 105.19 106.05 1xa8 n GLY 151 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1xa8 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xa8 s VAL 152 N -2.02 3.16 0.20 1.61 1.01 -1.16 -4.96 120.40 118.24 1xa8 s VAL 152 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1xa8 s VAL 152 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1xa8 s VAL 152 CO 0.00 0.01 1.35 -0.62 0.00 0.00 0.00 175.10 175.85 1xa8 s ASP 153 N 1.93 6.82 0.38 3.32 2.15 -1.26 -4.21 116.67 125.80 1xa8 s ASP 153 Ca 0.70 2.47 0.19 0.00 0.43 0.00 0.00 52.55 56.34 1xa8 s ASP 153 Cb -0.38 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 40.78 1xa8 s ASP 153 CO 0.30 -0.59 1.70 -0.65 -0.17 0.00 0.00 175.17 175.77 1xa8 h PRO 154 N 5.42 0.31 -0.43 4.34 0.11 -1.94 -2.53 132.00 137.27 1xa8 h PRO 154 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1xa8 h PRO 154 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1xa8 h PRO 154 CO 0.78 0.20 0.29 0.66 -0.21 0.00 0.00 178.00 179.73 1xa8 h SER 155 N 0.32 0.28 0.62 -2.05 4.64 -2.03 -2.48 113.55 112.84 1xa8 h SER 155 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1xa8 h SER 155 Cb 1.79 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1xa8 h SER 155 CO -0.44 0.18 0.00 0.54 -0.87 0.00 0.00 176.83 176.24 1xa8 n ARG 156 N -4.47 0.07 0.19 4.77 1.74 -0.95 -4.30 116.66 113.71 1xa8 n ARG 156 Ca 0.06 0.30 0.08 0.00 -0.77 0.00 0.00 57.85 57.51 1xa8 n ARG 156 Cb 0.27 -1.63 0.24 0.00 -1.02 0.00 0.00 32.46 30.32 1xa8 n ARG 156 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1xa8 h MET 157 N 0.00 0.00 -0.49 5.56 2.86 -1.61 -2.04 114.93 119.21 1xa8 h MET 157 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1xa8 h MET 157 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1xa8 h MET 157 CO 0.00 0.28 -0.11 1.49 1.06 0.00 0.00 176.91 179.62 1xa8 h GLU 158 N 0.00 0.94 -0.02 1.72 4.81 -1.82 -2.36 114.58 117.85 1xa8 h GLU 158 Ca -0.00 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.65 1xa8 h GLU 158 Cb 1.04 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1xa8 h GLU 158 CO 0.04 1.02 -0.90 0.00 -0.73 0.00 0.00 179.01 178.43 1xa8 h ALA 159 N 0.89 0.41 0.87 2.92 0.00 -1.83 -1.81 119.26 120.71 1xa8 h ALA 159 Ca 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1xa8 h ALA 159 Cb 0.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xa8 h ALA 159 CO 0.05 0.81 -0.42 0.82 0.00 0.00 0.00 179.25 180.51 1xa8 h ILE 160 N 0.24 0.02 -0.99 0.00 2.04 -1.35 0.72 117.51 118.18 1xa8 h ILE 160 Ca -0.07 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 65.86 1xa8 h ILE 160 Cb 1.53 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 1xa8 h ILE 160 CO 0.16 0.00 0.62 0.03 0.00 0.00 0.00 178.15 178.95 1xa8 h ARG 161 N -1.30 0.63 -0.17 2.37 3.08 -1.55 -1.41 114.38 116.03 1xa8 h ARG 161 Ca -0.12 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1xa8 h ARG 161 Cb 0.90 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1xa8 h ARG 161 CO 0.20 0.42 -0.04 0.00 -1.07 0.00 0.00 179.97 179.48 1xa8 h ALA 162 N 1.64 0.23 -0.30 0.04 0.00 -1.27 -2.79 119.26 116.81 1xa8 h ALA 162 Ca 0.57 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1xa8 h ALA 162 Cb 1.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1xa8 h ALA 162 CO -0.34 -0.02 0.11 -0.09 0.00 0.00 0.00 179.25 178.91 1xa8 h ARG 163 N 0.02 0.25 -0.91 0.00 9.65 -0.56 -1.92 114.38 120.91 1xa8 h ARG 163 Ca 0.04 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1xa8 h ARG 163 Cb 0.47 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 1xa8 h ARG 163 CO 0.02 0.16 0.57 -0.07 2.80 0.00 0.00 179.97 183.45 1xa8 h LEU 164 N 0.25 0.89 -1.74 3.80 3.38 -1.35 0.14 115.31 120.69 1xa8 h LEU 164 Ca 0.13 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1xa8 h LEU 164 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xa8 h LEU 164 CO -0.12 0.55 -0.17 0.03 0.09 0.00 0.00 178.44 178.81 1xa8 h ARG 165 N 1.01 0.00 0.00 1.13 3.08 -1.26 0.24 114.38 118.58 1xa8 h ARG 165 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1xa8 h ARG 165 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1xa8 h ARG 165 CO -0.19 0.17 -0.76 1.05 -1.07 0.00 0.00 179.97 179.17 1xa8 h GLU 166 N 0.00 0.00 0.00 0.04 4.11 -0.47 -2.70 114.58 115.55 1xa8 h GLU 166 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xa8 h GLU 166 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xa8 h GLU 166 CO 0.02 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.38 1xa8 n LEU 167 N -2.27 0.00 -1.52 3.06 7.99 0.39 -4.95 117.00 119.70 1xa8 n LEU 167 Ca 0.02 0.49 -0.12 0.00 -0.01 0.00 0.00 56.01 56.39 1xa8 n LEU 167 Cb 0.47 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1xa8 n LEU 167 CO 0.38 -0.13 -0.10 0.61 -1.51 0.00 0.00 177.39 176.63 1xa8 n GLY 168 N 0.68 -0.08 3.10 -0.72 0.00 -0.72 -4.77 105.19 102.67 1xa8 n GLY 168 Ca 0.05 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1xa8 n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xa8 s LEU 169 N -3.64 5.14 -0.02 0.99 1.43 0.75 -4.77 118.68 118.56 1xa8 s LEU 169 Ca 0.06 -2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 50.75 1xa8 s LEU 169 Cb -0.03 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1xa8 s LEU 169 CO 0.07 -0.50 1.71 -0.70 0.23 0.00 0.00 176.35 177.16 1xa8 s GLU 170 N 1.02 4.18 0.01 1.70 2.56 -1.26 -3.84 118.70 123.06 1xa8 s GLU 170 Ca 0.09 2.28 -0.30 0.00 0.00 0.00 0.00 54.97 57.04 1xa8 s GLU 170 Cb -0.22 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 31.87 1xa8 s GLU 170 CO -0.05 -0.85 1.58 -1.25 -0.56 0.00 0.00 175.26 174.13 1xa8 s PRO 171 N 3.94 4.22 0.05 4.30 0.04 -1.26 -1.94 135.00 144.35 1xa8 s PRO 171 Ca 0.76 2.17 0.05 0.00 0.04 0.00 0.00 61.00 64.02 1xa8 s PRO 171 Cb -0.36 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 1xa8 s PRO 171 CO 0.32 -0.72 -0.13 0.71 0.04 0.00 0.00 177.00 177.21 1xa8 s TYR 172 N 3.02 1.17 -1.35 0.56 2.02 0.07 -4.97 117.35 117.86 1xa8 s TYR 172 Ca 0.71 -0.40 0.26 0.00 -0.37 0.00 0.00 57.07 57.26 1xa8 s TYR 172 Cb -0.35 -0.68 0.62 0.00 -0.40 0.00 0.00 41.96 41.15 1xa8 s TYR 172 CO 0.29 0.04 1.48 -0.25 -1.57 0.00 0.00 175.55 175.54 1xa8 n ASP 173 N 1.64 0.75 0.00 2.29 8.00 -1.26 -0.99 116.55 126.98 1xa8 n ASP 173 Ca -0.20 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1xa8 n ASP 173 Cb 0.55 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1xa8 n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xa8 n ALA 174 N -1.10 0.00 -1.96 2.24 0.00 -1.26 -3.93 120.51 114.50 1xa8 n ALA 174 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 1xa8 n ALA 174 Cb 0.34 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.97 1xa8 n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xa8 s LEU 175 N 0.00 2.81 0.66 0.00 1.43 -1.26 -1.05 118.68 121.27 1xa8 s LEU 175 Ca 0.00 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1xa8 s LEU 175 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1xa8 s LEU 175 CO 0.00 -2.58 1.15 -0.94 0.23 0.00 0.00 176.35 174.21 1xa8 s SER 176 N -4.90 4.93 0.24 2.29 1.04 -1.26 -4.74 113.70 111.30 1xa8 s SER 176 Ca 0.73 2.15 -0.10 0.00 0.48 0.00 0.00 55.95 59.21 1xa8 s SER 176 Cb -0.03 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.88 1xa8 s SER 176 CO 0.51 -1.76 1.61 -0.65 0.98 0.00 0.00 173.24 173.93 1xa8 h PRO 177 N 0.14 0.02 -0.99 4.02 0.11 -1.98 0.43 132.00 133.75 1xa8 h PRO 177 Ca -0.48 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1xa8 h PRO 177 Cb 1.27 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 1xa8 h PRO 177 CO 0.53 0.01 0.62 -1.35 -0.21 0.00 0.00 178.00 177.61 1xa8 h PRO 178 N 0.02 0.85 0.02 1.05 0.11 -2.00 -1.79 132.00 130.27 1xa8 h PRO 178 Ca 0.39 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 1xa8 h PRO 178 Cb 0.63 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1xa8 h PRO 178 CO -0.76 0.56 -0.59 -0.07 -0.21 0.00 0.00 178.00 176.93 1xa8 h LEU 179 N 0.87 0.48 -1.00 2.35 3.38 -1.69 -2.12 115.31 117.59 1xa8 h LEU 179 Ca 0.52 -0.80 0.11 0.00 0.09 0.00 0.00 57.88 57.79 1xa8 h LEU 179 Cb 0.66 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1xa8 h LEU 179 CO -0.29 1.22 0.63 0.24 0.09 0.00 0.00 178.44 180.33 1xa8 h MET 180 N -0.21 1.00 -0.67 1.13 2.86 -0.82 -0.14 114.93 118.08 1xa8 h MET 180 Ca -0.08 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1xa8 h MET 180 Cb 1.33 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1xa8 h MET 180 CO 0.11 0.66 0.23 -0.44 1.06 0.00 0.00 176.91 178.54 1xa8 h ASP 181 N 1.03 0.96 -0.70 1.22 5.19 -1.32 -1.38 116.42 121.43 1xa8 h ASP 181 Ca 0.48 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1xa8 h ASP 181 Cb 0.41 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1xa8 h ASP 181 CO -0.24 0.90 0.32 0.00 -3.12 0.00 0.00 179.24 177.10 1xa8 h ALA 182 N 1.10 0.90 0.34 3.45 0.00 -0.64 -1.35 119.26 123.06 1xa8 h ALA 182 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xa8 h ALA 182 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xa8 h ALA 182 CO -0.01 0.48 -0.16 0.82 0.00 0.00 0.00 179.25 180.38 1xa8 h ILE 183 N 0.98 0.68 -0.96 0.00 2.04 -0.84 -2.03 117.51 117.37 1xa8 h ILE 183 Ca 0.24 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.99 1xa8 h ILE 183 Cb 0.15 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 1xa8 h ILE 183 CO -0.03 0.06 0.61 0.00 0.00 0.00 0.00 178.15 178.79 1xa8 h ALA 184 N -0.02 1.87 -0.26 1.87 0.00 -1.27 -0.36 119.26 121.09 1xa8 h ALA 184 Ca -0.05 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xa8 h ALA 184 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xa8 h ALA 184 CO 0.08 -0.19 -0.11 1.15 0.00 0.00 0.00 179.25 180.18 1xa8 h THR 185 N 0.65 1.29 0.74 0.00 2.02 -1.21 -1.69 112.91 114.72 1xa8 h THR 185 Ca 0.52 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1xa8 h THR 185 Cb 0.95 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1xa8 h THR 185 CO -0.28 0.37 -0.49 -0.74 0.37 0.00 0.00 175.52 174.74 1xa8 h HIS 186 N 0.27 -1.33 -0.87 3.16 6.17 -0.92 -1.17 115.15 120.45 1xa8 h HIS 186 Ca 0.06 -0.01 0.19 0.00 0.71 0.00 0.00 60.37 61.32 1xa8 h HIS 186 Cb 0.61 0.48 -0.16 0.00 2.52 0.00 0.00 27.41 30.86 1xa8 h HIS 186 CO 0.06 -0.72 -0.14 0.82 0.71 0.00 0.00 177.93 178.65 1xa8 h ILE 187 N -1.17 0.14 -0.40 6.26 2.04 -1.16 -2.80 117.51 120.43 1xa8 h ILE 187 Ca -0.10 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1xa8 h ILE 187 Cb 0.95 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1xa8 h ILE 187 CO 0.07 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.33 1xa8 h ALA 188 N 1.86 0.52 -0.63 1.87 0.00 -1.04 -1.63 119.26 120.21 1xa8 h ALA 188 Ca 0.45 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1xa8 h ALA 188 Cb 0.75 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1xa8 h ALA 188 CO -0.87 0.19 0.29 0.87 0.00 0.00 0.00 179.25 179.74 1xa8 h LYS 189 N 0.50 0.50 -0.47 0.00 1.79 -1.12 -0.01 116.57 117.76 1xa8 h LYS 189 Ca 0.13 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1xa8 h LYS 189 Cb 0.30 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1xa8 h LYS 189 CO 0.00 0.33 0.09 0.00 -1.08 0.00 0.00 179.45 178.79 1xa8 h ARG 190 N 0.51 0.76 0.00 3.15 3.08 -1.35 -3.16 114.38 117.37 1xa8 h ARG 190 Ca 0.31 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1xa8 h ARG 190 Cb 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1xa8 h ARG 190 CO -0.26 0.77 0.00 0.66 -1.07 0.00 0.00 179.97 180.07 1xa8 h SER 191 N 0.64 0.00 0.00 7.04 4.64 -1.17 -3.47 113.55 121.22 1xa8 h SER 191 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1xa8 h SER 191 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xa8 h SER 191 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1xa8 n GLY 192 N 0.88 0.66 0.23 -0.77 0.00 -0.09 -4.95 105.19 101.16 1xa8 n GLY 192 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1xa8 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h ALA 193 N 0.00 1.63 -3.25 4.61 0.00 -1.66 -3.38 119.26 117.22 1xa8 h ALA 193 Ca 0.00 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 54.07 1xa8 h ALA 193 Cb 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.45 1xa8 h ALA 193 CO 0.00 0.27 -0.79 -0.51 0.00 0.00 0.00 179.25 178.22 1xa8 s LEU 194 N -8.71 2.57 0.13 0.00 1.43 -1.07 -5.00 118.68 108.02 1xa8 s LEU 194 Ca -0.05 -0.41 -0.33 0.00 -1.03 0.00 0.00 54.13 52.31 1xa8 s LEU 194 Cb 0.16 -1.58 -0.12 0.00 0.03 0.00 0.00 46.19 44.67 1xa8 s LEU 194 CO 0.71 0.12 1.71 0.00 0.23 0.00 0.00 176.35 179.12 1xa8 n ALA 195 N 3.83 1.82 1.98 4.21 0.00 -1.26 -4.15 120.51 126.94 1xa8 n ALA 195 Ca -0.19 0.38 0.16 0.00 0.00 0.00 0.00 53.44 53.79 1xa8 n ALA 195 Cb 0.52 -2.47 0.94 0.00 0.00 0.00 0.00 19.45 18.44 1xa8 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50