#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa8 s HIS 2 N 0.00 -0.63 -0.17 1.61 2.46 -1.26 -5.14 115.29 112.16 1xa8 s HIS 2 Ca 0.00 1.10 -0.12 0.00 0.47 0.00 0.00 55.06 56.51 1xa8 s HIS 2 Cb 0.00 0.41 -0.22 0.00 -0.13 0.00 0.00 32.58 32.64 1xa8 s HIS 2 CO 0.00 -0.57 0.21 -1.33 -2.47 0.00 0.00 174.74 170.58 1xa8 n MET 3 N 0.95 0.67 -4.96 2.88 2.00 -1.26 -4.97 117.12 112.43 1xa8 n MET 3 Ca -0.18 0.36 -0.31 0.00 0.00 0.00 0.00 57.70 57.57 1xa8 n MET 3 Cb 0.57 -1.69 -0.14 0.00 0.00 0.00 0.00 33.22 31.95 1xa8 n MET 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1xa8 s VAL 4 N -2.49 2.37 -0.37 2.03 -7.23 -1.26 -5.09 120.40 108.36 1xa8 s VAL 4 Ca -0.27 -1.19 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 1xa8 s VAL 4 Cb 0.07 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.12 1xa8 s VAL 4 CO 0.67 0.45 1.06 -0.62 -0.31 0.00 0.00 175.10 176.35 1xa8 s ASP 5 N -1.05 6.80 -0.01 4.85 3.68 -1.26 -4.92 116.67 124.76 1xa8 s ASP 5 Ca 0.12 0.80 0.14 0.00 2.13 0.00 0.00 52.55 55.74 1xa8 s ASP 5 Cb -0.10 -2.53 0.41 0.00 -1.45 0.00 0.00 42.92 39.25 1xa8 s ASP 5 CO 0.02 -0.96 1.34 0.35 0.13 0.00 0.00 175.17 176.04 1xa8 n THR 6 N 6.13 1.11 -1.92 1.71 -2.24 -1.26 -4.79 114.28 113.01 1xa8 n THR 6 Ca 0.11 -1.06 -0.42 0.00 -2.27 0.00 0.00 64.05 60.41 1xa8 n THR 6 Cb 0.48 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1xa8 n THR 6 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xa8 s SER 7 N -1.05 6.57 0.00 3.42 1.04 -1.26 -2.47 113.70 119.95 1xa8 s SER 7 Ca 0.31 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.41 1xa8 s SER 7 Cb 0.17 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1xa8 s SER 7 CO 0.19 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1xa8 n GLY 8 N 3.30 0.84 3.55 7.32 0.00 -1.26 -5.00 105.19 113.93 1xa8 n GLY 8 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.35 4.24 -0.10 1.61 1.01 -1.03 -5.00 120.40 117.77 1xa8 s VAL 9 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1xa8 s VAL 9 Cb 0.00 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1xa8 s VAL 9 CO 0.00 -1.20 0.28 -0.54 0.00 0.00 0.00 175.10 173.64 1xa8 s LYS 10 N 4.36 3.91 -0.09 2.72 -0.14 -1.26 -5.03 119.74 124.21 1xa8 s LYS 10 Ca 0.36 0.12 -0.09 0.00 -1.36 0.00 0.00 55.97 55.00 1xa8 s LYS 10 Cb -0.10 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1xa8 s LYS 10 CO 0.22 0.54 -0.19 -0.89 -0.76 0.00 0.00 175.35 174.27 1xa8 n ILE 11 N 2.55 1.15 -3.64 2.17 2.08 -1.26 -4.76 119.36 117.65 1xa8 n ILE 11 Ca -0.15 0.07 -0.07 0.00 0.56 0.00 0.00 62.75 63.16 1xa8 n ILE 11 Cb 0.53 -1.88 -0.07 0.00 -0.75 0.00 0.00 39.64 37.47 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 -2.40 -0.75 0.62 1.39 2.46 -1.26 -2.12 115.29 113.23 1xa8 s HIS 12 Ca -0.18 1.60 0.31 0.00 0.47 0.00 0.00 55.06 57.26 1xa8 s HIS 12 Cb 0.05 0.43 1.71 0.00 -0.13 0.00 0.00 32.58 34.64 1xa8 s HIS 12 CO 0.24 -0.37 2.06 -1.35 -2.47 0.00 0.00 174.74 172.85 1xa8 h PRO 13 N 5.78 0.00 -0.00 2.88 0.11 -1.98 -0.03 132.00 138.76 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xa8 h PRO 13 CO 0.14 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.90 1xa8 n ALA 14 N -2.21 2.62 -0.10 -0.75 0.00 -1.26 -3.88 120.51 114.93 1xa8 n ALA 14 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xa8 n ALA 14 Cb 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1xa8 n ALA 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xa8 n VAL 15 N -1.06 0.00 0.08 0.00 0.24 -0.08 -4.49 118.33 113.03 1xa8 n VAL 15 Ca 0.18 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.34 62.21 1xa8 n VAL 15 Cb 0.21 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.81 -1.34 3.45 -1.52 -3.36 116.42 111.84 1xa8 h ASP 16 Ca 0.00 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 1xa8 h ASP 16 Cb 0.05 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.41 1xa8 h ASP 16 CO 0.00 0.78 -0.99 0.59 -1.57 0.00 0.00 179.24 178.04 1xa8 n ASN 17 N -3.24 2.41 0.00 6.45 4.13 -1.26 -5.05 115.26 118.69 1xa8 n ASN 17 Ca -0.01 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 53.03 1xa8 n ASN 17 Cb 0.86 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1xa8 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xa8 n GLY 18 N -0.02 2.35 3.42 7.41 0.00 -1.26 -5.02 105.19 112.07 1xa8 n GLY 18 Ca 0.25 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1xa8 n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xa8 s ILE 19 N -0.80 3.96 -0.07 -0.61 1.01 -1.26 -4.22 121.20 119.21 1xa8 s ILE 19 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 1xa8 s ILE 19 Cb 0.00 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1xa8 s ILE 19 CO 0.00 0.40 0.96 -0.75 0.00 0.00 0.00 174.94 175.55 1xa8 s LYS 20 N 1.27 4.47 0.68 2.79 2.47 -1.26 -5.05 119.74 125.10 1xa8 s LYS 20 Ca 0.04 1.34 -0.11 0.00 -1.56 0.00 0.00 55.97 55.67 1xa8 s LYS 20 Cb -0.15 -3.51 -0.00 0.00 -1.46 0.00 0.00 37.83 32.71 1xa8 s LYS 20 CO 0.01 -0.19 1.08 -1.25 0.16 0.00 0.00 175.35 175.16 1xa8 s PRO 21 N 1.55 3.10 0.63 4.03 0.04 -1.26 -4.71 135.00 138.37 1xa8 s PRO 21 Ca 0.48 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 1xa8 s PRO 21 Cb -0.19 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1xa8 s PRO 21 CO 0.21 -0.89 1.31 0.00 0.04 0.00 0.00 177.00 177.67 1xa8 s ALA 22 N -3.30 2.47 0.11 8.56 0.00 -1.23 -3.99 121.76 124.38 1xa8 s ALA 22 Ca 0.57 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.85 1xa8 s ALA 22 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1xa8 s ALA 22 CO 0.53 -1.55 -0.12 -0.65 0.00 0.00 0.00 175.76 173.96 1xa8 s GLN 23 N -3.28 2.02 0.33 0.00 -1.52 -1.05 -4.93 119.66 111.23 1xa8 s GLN 23 Ca 0.80 -1.09 -0.28 0.00 -1.95 0.00 0.00 55.36 52.84 1xa8 s GLN 23 Cb -0.38 -2.24 -0.10 0.00 -0.22 0.00 0.00 33.01 30.07 1xa8 s GLN 23 CO 0.41 0.49 1.27 -2.14 -0.25 0.00 0.00 175.29 175.08 1xa8 s PRO 24 N -2.24 4.36 -1.89 2.91 0.02 -1.26 -2.91 135.00 133.99 1xa8 s PRO 24 Ca 0.21 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1xa8 s PRO 24 Cb -0.11 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1xa8 s PRO 24 CO 0.13 -0.15 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 1xa8 n GLY 25 N 0.84 0.40 3.69 0.52 0.00 -1.26 -4.96 105.19 104.42 1xa8 n GLY 25 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xa8 n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xa8 s PHE 26 N -2.91 2.49 -2.22 1.61 5.36 -1.15 -4.91 117.98 116.26 1xa8 s PHE 26 Ca 0.00 0.38 0.19 0.00 -0.96 0.00 0.00 56.93 56.54 1xa8 s PHE 26 Cb 0.00 -3.93 0.23 0.00 -0.34 0.00 0.00 43.02 38.97 1xa8 s PHE 26 CO 0.00 -3.71 1.17 0.00 -1.46 0.00 0.00 175.22 171.22 1xa8 n ALA 27 N 5.51 2.43 0.00 11.12 0.00 -1.26 -4.01 120.51 134.31 1xa8 n ALA 27 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1xa8 n ALA 27 Cb 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 1.10 -0.69 0.00 0.00 0.00 -1.26 -2.01 105.19 102.33 1xa8 n GLY 28 Ca 0.13 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.62 3.12 -0.02 0.00 0.11 -4.91 105.19 102.86 1xa8 n GLY 29 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1xa8 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xa8 s THR 30 N -3.37 1.39 -0.07 2.61 2.01 -1.26 -0.08 115.64 116.87 1xa8 s THR 30 Ca 0.00 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1xa8 s THR 30 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1xa8 s THR 30 CO 0.00 0.40 0.21 -0.76 -0.69 0.00 0.00 174.62 173.79 1xa8 s LEU 31 N 0.15 4.40 0.07 4.42 1.02 0.13 -4.03 118.68 124.84 1xa8 s LEU 31 Ca -0.06 0.56 0.02 0.00 0.02 0.00 0.00 54.13 54.67 1xa8 s LEU 31 Cb -0.12 -2.31 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 1xa8 s LEU 31 CO 0.03 0.35 -0.08 -1.38 0.02 0.00 0.00 176.35 175.29 1xa8 s HIS 32 N -1.11 0.82 0.20 0.29 -3.43 -0.94 -0.82 115.29 110.29 1xa8 s HIS 32 Ca 0.20 -0.67 -0.02 0.00 -0.80 0.00 0.00 55.06 53.77 1xa8 s HIS 32 Cb -0.13 -0.48 0.04 0.00 -1.43 0.00 0.00 32.58 30.59 1xa8 s HIS 32 CO 0.09 -0.09 0.27 0.00 -2.00 0.00 0.00 174.74 173.01 1xa8 n LYS 34 N -1.55 2.49 -2.16 0.00 5.02 -1.26 -4.88 118.16 115.83 1xa8 n LYS 34 Ca 0.04 -2.29 -0.42 0.00 -2.02 0.00 0.00 58.31 53.61 1xa8 n LYS 34 Cb 0.14 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 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 6.83 -0.39 -3.41 0.00 0.02 -2.03 -3.39 113.55 111.18 1xa8 h SER 36 Ca -0.42 0.05 -0.60 0.00 -0.84 0.00 0.00 61.79 59.99 1xa8 h SER 36 Cb 1.21 0.16 -0.11 0.00 0.14 0.00 0.00 62.40 63.80 1xa8 h SER 36 CO 0.87 -0.20 -0.28 0.28 -1.14 0.00 0.00 176.83 176.36 1xa8 s THR 37 N -6.14 5.26 -1.08 -2.27 -1.32 -1.26 -4.71 115.64 104.12 1xa8 s THR 37 Ca -0.14 0.60 -0.18 0.00 -1.21 0.00 0.00 61.69 60.76 1xa8 s THR 37 Cb 0.08 -3.67 -0.01 0.00 -1.51 0.00 0.00 72.50 67.39 1xa8 s THR 37 CO 0.66 0.32 0.77 0.59 -2.21 0.00 0.00 174.62 174.76 1xa8 n ASN 38 N 4.05 -5.49 -4.76 8.08 3.02 -1.26 -4.95 115.26 113.95 1xa8 n ASN 38 Ca -0.10 -0.94 -0.38 0.00 -0.03 0.00 0.00 54.58 53.12 1xa8 n ASN 38 Cb 0.51 -3.36 0.02 0.00 -0.61 0.00 0.00 39.78 36.35 1xa8 n ASN 38 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1xa8 s PRO 39 N -5.67 3.46 0.37 3.52 0.02 -1.26 -4.83 135.00 130.61 1xa8 s PRO 39 Ca 0.40 2.17 -0.27 0.00 0.02 0.00 0.00 61.00 63.32 1xa8 s PRO 39 Cb -0.14 -2.42 -0.11 0.00 0.02 0.00 0.00 34.50 31.84 1xa8 s PRO 39 CO 0.86 -0.91 1.24 0.28 -0.33 0.00 0.00 177.00 178.14 1xa8 n VAL 40 N -0.63 2.21 -3.95 3.83 0.31 -1.26 -4.38 118.33 114.46 1xa8 n VAL 40 Ca 0.08 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 1xa8 n VAL 40 Cb 0.45 -1.50 -0.17 0.00 -0.91 0.00 0.00 33.84 31.71 1xa8 n VAL 40 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xa8 s ARG 41 N -1.97 0.68 -0.04 5.55 0.52 -1.00 -2.06 118.95 120.62 1xa8 s ARG 41 Ca 0.58 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.85 1xa8 s ARG 41 Cb -0.56 -0.87 -0.01 0.00 0.52 0.00 0.00 34.95 34.03 1xa8 s ARG 41 CO 0.60 -0.19 -0.18 0.54 0.02 0.00 0.00 175.30 176.09 1xa8 s VAL 42 N 1.43 1.50 -0.14 3.52 0.11 -0.00 0.08 120.40 126.91 1xa8 s VAL 42 Ca -0.03 -0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 58.09 1xa8 s VAL 42 Cb -0.13 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1xa8 s VAL 42 CO -0.03 0.43 0.39 0.00 -3.33 0.00 0.00 175.10 172.57 1xa8 s ALA 43 N -0.03 3.53 -0.37 1.54 0.00 0.68 0.17 121.76 127.28 1xa8 s ALA 43 Ca -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 1xa8 s ALA 43 Cb -0.11 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.56 1xa8 s ALA 43 CO 0.02 0.04 0.13 0.08 0.00 0.00 0.00 175.76 176.03 1xa8 s VAL 44 N 0.55 3.16 -0.63 0.00 1.01 0.88 -1.50 120.40 123.86 1xa8 s VAL 44 Ca 0.22 -1.82 -0.02 0.00 0.00 0.00 0.00 61.98 60.36 1xa8 s VAL 44 Cb -0.14 -3.05 0.33 0.00 0.00 0.00 0.00 36.38 33.52 1xa8 s VAL 44 CO 0.07 -0.48 2.13 0.54 0.00 0.00 0.00 175.10 177.37 1xa8 n ARG 45 N 4.59 2.52 -3.53 2.72 1.74 -0.42 0.08 116.66 124.36 1xa8 n ARG 45 Ca -0.06 -2.95 -0.08 0.00 -0.77 0.00 0.00 57.85 53.99 1xa8 n ARG 45 Cb 0.42 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.29 -1.88 0.59 7.54 0.00 -0.85 -4.79 121.76 119.07 1xa8 s ALA 46 Ca 0.55 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 53.55 1xa8 s ALA 46 Cb 0.43 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1xa8 s ALA 46 CO -0.15 -0.58 1.22 0.94 0.00 0.00 0.00 175.76 177.19 1xa8 n GLN 47 N 0.02 1.29 -3.30 0.00 -0.06 -1.26 -3.99 117.38 110.09 1xa8 n GLN 47 Ca -0.08 0.49 -0.23 0.00 -2.00 0.00 0.00 57.00 55.18 1xa8 n GLN 47 Cb 0.60 -2.44 -0.00 0.00 -4.06 0.00 0.00 30.24 24.34 1xa8 n GLN 47 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1xa8 s THR 48 N -1.37 4.60 0.34 1.69 -4.23 -1.26 -4.87 115.64 110.54 1xa8 s THR 48 Ca 0.76 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1xa8 s THR 48 Cb -0.41 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 69.69 1xa8 s THR 48 CO 0.46 -0.41 -0.00 0.00 -0.54 0.00 0.00 174.62 174.13 1xa8 s ALA 49 N -2.36 2.63 -1.46 3.99 0.00 -0.40 -4.66 121.76 119.51 1xa8 s ALA 49 Ca 0.43 -2.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 1xa8 s ALA 49 Cb -0.10 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1xa8 s ALA 49 CO 0.36 -0.16 0.84 0.72 0.00 0.00 0.00 175.76 177.52 1xa8 n HIS 50 N -0.74 -2.26 -1.82 0.00 8.25 -1.26 -1.65 115.22 115.73 1xa8 n HIS 50 Ca -0.04 0.74 -0.41 0.00 -0.26 0.00 0.00 57.72 57.75 1xa8 n HIS 50 Cb 0.66 -4.23 -0.01 0.00 1.12 0.00 0.00 29.99 27.52 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 -3.02 6.41 0.23 0.41 2.47 -1.26 -4.37 114.94 115.81 1xa8 s ASN 51 Ca 0.49 2.92 -0.21 0.00 0.42 0.00 0.00 52.86 56.49 1xa8 s ASN 51 Cb -0.23 -2.64 0.03 0.00 -1.45 0.00 0.00 41.25 36.96 1xa8 s ASN 51 CO 0.61 -0.88 0.65 -1.38 -3.72 0.00 0.00 177.10 172.38 1xa8 s HIS 52 N -0.18 -0.26 -0.01 0.43 -3.43 -0.56 -0.35 115.29 110.94 1xa8 s HIS 52 Ca 0.61 -0.10 -0.10 0.00 -0.80 0.00 0.00 55.06 54.67 1xa8 s HIS 52 Cb -0.47 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 1xa8 s HIS 52 CO 0.50 -1.07 0.32 0.14 -2.00 0.00 0.00 174.74 172.62 1xa8 s VAL 53 N -3.87 5.21 -0.05 -5.38 -7.23 -0.93 -0.83 120.40 107.32 1xa8 s VAL 53 Ca 0.08 0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 1xa8 s VAL 53 Cb -0.04 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.32 1xa8 s VAL 53 CO -0.00 0.48 -0.11 0.00 -0.31 0.00 0.00 175.10 175.16 1xa8 n GLY 55 N 3.63 -1.26 3.43 0.00 0.00 -0.23 -1.71 105.19 109.04 1xa8 n GLY 55 Ca -0.22 -0.35 -0.48 0.00 0.00 0.00 0.00 46.02 44.98 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 1.16 1.30 0.00 0.00 1.35 -1.94 -3.16 112.91 111.62 1xa8 h THR 57 Ca -0.30 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1xa8 h THR 57 Cb 1.43 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1xa8 h THR 57 CO 0.58 0.44 0.00 0.29 -0.25 0.00 0.00 175.52 176.58 1xa8 n LYS 58 N -4.05 0.07 -3.28 4.72 5.02 -1.26 -4.84 118.16 114.54 1xa8 n LYS 58 Ca -0.01 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.18 1xa8 n LYS 58 Cb 0.47 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1xa8 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xa8 s TRP 60 N -0.27 3.50 0.02 0.00 -0.00 -1.26 -4.87 118.94 116.05 1xa8 s TRP 60 Ca 0.29 1.44 0.04 0.00 -0.00 0.00 0.00 56.10 57.86 1xa8 s TRP 60 Cb -0.17 -3.36 -0.02 0.00 -0.00 0.00 0.00 33.47 29.92 1xa8 s TRP 60 CO 0.15 -0.99 -0.11 0.15 -0.00 0.00 0.00 176.95 176.15 1xa8 s LYS 61 N 0.36 0.80 0.78 5.86 1.02 -1.26 -4.49 119.74 122.80 1xa8 s LYS 61 Ca 0.54 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.85 1xa8 s LYS 61 Cb -0.30 -0.76 0.07 0.00 -0.52 0.00 0.00 37.83 36.32 1xa8 s LYS 61 CO 0.32 0.19 1.13 -1.25 -0.92 0.00 0.00 175.35 174.83 1xa8 s PRO 62 N -0.78 2.02 0.28 -1.68 0.04 -1.26 -4.86 135.00 128.75 1xa8 s PRO 62 Ca 0.01 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1xa8 s PRO 62 Cb -0.06 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1xa8 s PRO 62 CO 0.00 -1.86 1.51 -1.83 0.04 0.00 0.00 177.00 174.86 1xa8 s GLU 63 N -4.51 4.19 0.00 4.56 -1.05 -1.26 -0.96 118.70 119.68 1xa8 s GLU 63 Ca 0.66 2.44 0.00 0.00 -0.15 0.00 0.00 54.97 57.92 1xa8 s GLU 63 Cb -0.21 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 1xa8 s GLU 63 CO 0.52 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1xa8 n GLY 64 N 2.07 2.98 3.75 -3.83 0.00 -1.26 -5.07 105.19 103.83 1xa8 n GLY 64 Ca 0.07 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.63 3.40 -0.73 4.61 0.00 -0.13 -4.95 121.76 123.32 1xa8 s ALA 65 Ca 0.00 0.86 0.24 0.00 0.00 0.00 0.00 51.96 53.07 1xa8 s ALA 65 Cb 0.00 -3.33 0.37 0.00 0.00 0.00 0.00 23.12 20.16 1xa8 s ALA 65 CO 0.00 -0.17 1.32 0.44 0.00 0.00 0.00 175.76 177.35 1xa8 n ILE 66 N 1.64 0.24 -4.37 0.00 -5.35 -1.22 -4.81 119.36 105.50 1xa8 n ILE 66 Ca 0.00 -0.20 -0.24 0.00 -0.27 0.00 0.00 62.75 62.04 1xa8 n ILE 66 Cb 0.45 -0.01 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 1xa8 n ILE 66 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xa8 s PHE 67 N -3.13 2.03 0.11 4.28 0.40 -0.90 -4.78 117.98 116.00 1xa8 s PHE 67 Ca 0.07 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1xa8 s PHE 67 Cb 0.15 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1xa8 s PHE 67 CO 0.72 0.40 0.24 0.45 0.70 0.00 0.00 175.22 177.73 1xa8 s SER 68 N -2.61 6.27 -0.25 1.36 0.15 -0.69 -4.68 113.70 113.25 1xa8 s SER 68 Ca 0.17 0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 1xa8 s SER 68 Cb -0.07 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.38 1xa8 s SER 68 CO 0.08 0.10 -0.06 -1.58 1.20 0.00 0.00 173.24 172.98 1xa8 s GLN 69 N -2.92 2.85 -0.03 5.44 0.74 -1.26 -0.54 119.66 123.95 1xa8 s GLN 69 Ca 0.34 -0.97 0.02 0.00 0.05 0.00 0.00 55.36 54.81 1xa8 s GLN 69 Cb -0.12 -2.99 0.01 0.00 1.10 0.00 0.00 33.01 31.01 1xa8 s GLN 69 CO 0.28 -0.40 -0.08 0.54 -0.55 0.00 0.00 175.29 175.09 1xa8 s VAL 70 N 1.33 0.68 0.35 1.34 0.11 -0.01 -4.57 120.40 119.63 1xa8 s VAL 70 Ca 0.00 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1xa8 s VAL 70 Cb -0.17 -0.62 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 1xa8 s VAL 70 CO -0.04 0.22 0.03 0.00 -3.33 0.00 0.00 175.10 171.98 1xa8 s ALA 71 N 0.26 2.65 -0.08 1.54 0.00 -0.45 -1.49 121.76 124.18 1xa8 s ALA 71 Ca -0.04 -2.13 0.04 0.00 0.00 0.00 0.00 51.96 49.83 1xa8 s ALA 71 Cb -0.09 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1xa8 s ALA 71 CO 0.00 -0.21 -0.19 0.54 0.00 0.00 0.00 175.76 175.90 1xa8 s VAL 72 N -3.06 2.61 0.04 0.00 0.11 -0.66 -1.40 120.40 118.04 1xa8 s VAL 72 Ca 0.35 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 1xa8 s VAL 72 Cb 0.09 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1xa8 s VAL 72 CO 0.16 0.56 -0.09 0.54 -3.33 0.00 0.00 175.10 172.94 1xa8 s VAL 73 N -0.14 0.69 0.25 2.04 0.11 -0.25 -1.27 120.40 121.82 1xa8 s VAL 73 Ca -0.03 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.73 1xa8 s VAL 73 Cb -0.14 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 33.92 1xa8 s VAL 73 CO 0.04 -0.24 1.34 -0.83 -3.33 0.00 0.00 175.10 172.08 1xa8 s GLY 74 N -1.36 2.55 0.59 6.54 0.00 -1.26 -0.43 107.32 113.95 1xa8 s GLY 74 Ca -0.06 1.21 0.29 0.00 0.00 0.00 0.00 44.72 46.16 1xa8 s GLY 74 CO 0.01 2.09 2.15 0.07 0.00 0.00 0.00 173.10 177.42 1xa8 h ARG 75 N 4.78 0.00 0.00 2.90 0.11 -1.76 -2.66 114.38 117.75 1xa8 h ARG 75 Ca -0.46 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1xa8 h ARG 75 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 1xa8 h ARG 75 CO 0.74 0.00 -0.15 -0.44 0.10 0.00 0.00 179.97 180.23 1xa8 h ASP 76 N 0.00 0.00 0.29 0.08 5.19 -1.91 -1.81 116.42 118.26 1xa8 h ASP 76 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1xa8 h ASP 76 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1xa8 h ASP 76 CO -0.00 0.15 0.00 0.00 -3.12 0.00 0.00 179.24 176.27 1xa8 n ALA 77 N -2.48 1.88 -3.04 3.45 0.00 -1.00 -4.85 120.51 114.46 1xa8 n ALA 77 Ca -0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 1xa8 n ALA 77 Cb 0.22 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 1xa8 n ALA 77 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xa8 s LEU 78 N -2.57 3.27 -0.01 0.00 1.98 -0.68 -1.30 118.68 119.37 1xa8 s LEU 78 Ca 0.15 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.23 1xa8 s LEU 78 Cb 0.11 -1.81 0.01 0.00 0.66 0.00 0.00 46.19 45.15 1xa8 s LEU 78 CO 0.24 0.11 -0.00 -0.70 -1.89 0.00 0.00 176.35 174.10 1xa8 s GLU 79 N 0.75 0.11 -0.11 1.98 2.12 -0.56 -4.98 118.70 118.01 1xa8 s GLU 79 Ca -0.00 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 1xa8 s GLU 79 Cb -0.14 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 1xa8 s GLU 79 CO 0.02 -0.04 0.97 0.08 -0.54 0.00 0.00 175.26 175.74 1xa8 s VAL 80 N 0.40 4.81 -0.23 3.70 1.01 -1.26 -0.23 120.40 128.60 1xa8 s VAL 80 Ca -0.03 1.96 0.07 0.00 0.00 0.00 0.00 61.98 63.98 1xa8 s VAL 80 Cb -0.06 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.86 1xa8 s VAL 80 CO -0.01 0.02 -0.12 0.18 0.00 0.00 0.00 175.10 175.17 1xa8 n LEU 81 N 4.95 1.95 -3.83 3.92 4.77 0.11 -4.96 117.00 123.91 1xa8 n LEU 81 Ca 0.08 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1xa8 n LEU 81 Cb 0.49 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1xa8 n LEU 81 CO 0.51 0.76 -0.08 -1.61 -1.33 0.00 0.00 177.39 175.65 1xa8 s GLU 82 N -2.48 0.75 -1.23 3.23 2.02 -1.13 -4.94 118.70 114.91 1xa8 s GLU 82 Ca -0.25 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1xa8 s GLU 82 Cb 0.08 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1xa8 s GLU 82 CO 0.64 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1xa8 n GLY 83 N 0.48 0.31 0.29 -1.39 0.00 -1.26 -2.38 105.19 101.24 1xa8 n GLY 83 Ca -0.18 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.58 1xa8 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa8 h ALA 84 N 0.44 1.18 0.00 4.61 0.00 -1.94 -2.09 119.26 121.46 1xa8 h ALA 84 Ca -0.31 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xa8 h ALA 84 Cb 1.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xa8 h ALA 84 CO 0.38 -0.31 0.00 1.05 0.00 0.00 0.00 179.25 180.37 1xa8 h GLU 85 N 0.36 0.00 0.00 0.00 9.09 -2.03 -2.62 114.58 119.37 1xa8 h GLU 85 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1xa8 h GLU 85 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1xa8 h GLU 85 CO -0.50 0.00 -0.46 0.87 0.05 0.00 0.00 179.01 178.97 1xa8 h LYS 86 N 0.00 0.00 -6.81 1.06 1.57 -1.77 -3.47 116.57 107.15 1xa8 h LYS 86 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1xa8 h LYS 86 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1xa8 h LYS 86 CO 0.00 0.00 0.26 -0.51 -0.57 0.00 0.00 179.45 178.63 1xa8 s LEU 87 N -4.42 4.27 0.12 2.94 1.43 -0.99 -1.50 118.68 120.53 1xa8 s LEU 87 Ca 0.07 1.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 1xa8 s LEU 87 Cb 0.13 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1xa8 s LEU 87 CO 0.69 -0.08 -0.10 -1.83 0.23 0.00 0.00 176.35 175.25 1xa8 s GLU 88 N -2.23 0.94 -0.15 1.70 -1.05 -0.04 -4.91 118.70 112.96 1xa8 s GLU 88 Ca 0.50 -1.27 -0.19 0.00 -0.15 0.00 0.00 54.97 53.86 1xa8 s GLU 88 Cb -0.16 -0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 32.90 1xa8 s GLU 88 CO 0.21 0.09 0.53 0.42 0.95 0.00 0.00 175.26 177.46 1xa8 s ILE 89 N -2.74 5.12 0.03 1.83 1.01 -1.26 -1.05 121.20 124.14 1xa8 s ILE 89 Ca 0.10 1.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.54 1xa8 s ILE 89 Cb -0.01 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.42 1xa8 s ILE 89 CO 0.00 0.24 1.48 0.58 0.00 0.00 0.00 174.94 177.25 1xa8 h VAL 90 N 4.92 1.20 -1.96 2.92 2.07 -1.34 -3.43 116.25 120.62 1xa8 h VAL 90 Ca -0.37 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.37 1xa8 h VAL 90 Cb 1.17 1.61 -0.30 0.00 -1.52 0.00 0.00 31.29 32.25 1xa8 h VAL 90 CO 0.75 0.16 -0.49 0.21 0.02 0.00 0.00 177.57 178.22 1xa8 s ASN 91 N -5.45 0.33 0.21 0.57 2.47 -1.26 -5.02 114.94 106.79 1xa8 s ASN 91 Ca -0.15 0.20 0.26 0.00 0.42 0.00 0.00 52.86 53.59 1xa8 s ASN 91 Cb 0.04 1.05 0.86 0.00 -1.45 0.00 0.00 41.25 41.75 1xa8 s ASN 91 CO 0.67 -0.30 1.77 0.00 -3.72 0.00 0.00 177.10 175.51 1xa8 n ALA 92 N 5.36 2.15 1.33 1.71 0.00 -1.26 -2.82 120.51 126.98 1xa8 n ALA 92 Ca -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1xa8 n ALA 92 Cb 0.50 -1.45 0.47 0.00 0.00 0.00 0.00 19.45 18.97 1xa8 n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xa8 n GLU 93 N -2.22 0.89 -2.72 0.00 -0.58 -1.26 -4.90 120.64 109.84 1xa8 n GLU 93 Ca 0.05 -0.47 -0.35 0.00 -0.42 0.00 0.00 57.16 55.97 1xa8 n GLU 93 Cb 0.38 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 1xa8 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xa8 s ALA 94 N -2.43 3.09 0.47 0.62 0.00 -1.13 -4.94 121.76 117.43 1xa8 s ALA 94 Ca 0.27 0.52 0.20 0.00 0.00 0.00 0.00 51.96 52.96 1xa8 s ALA 94 Cb 0.20 -3.20 1.20 0.00 0.00 0.00 0.00 23.12 21.32 1xa8 s ALA 94 CO 0.48 0.03 1.92 -1.35 0.00 0.00 0.00 175.76 176.85 1xa8 h PRO 95 N 2.41 0.25 -4.65 0.00 0.11 -1.90 -3.33 132.00 124.88 1xa8 h PRO 95 Ca -0.48 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 64.91 1xa8 h PRO 95 Cb 1.19 -0.06 -0.28 0.00 0.11 0.00 0.00 31.00 31.97 1xa8 h PRO 95 CO 0.62 0.17 -0.58 0.42 -0.21 0.00 0.00 178.00 178.42 1xa8 s ILE 96 N -5.26 3.98 -0.12 4.15 1.01 -1.26 -4.21 121.20 119.49 1xa8 s ILE 96 Ca -0.07 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1xa8 s ILE 96 Cb 0.21 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1xa8 s ILE 96 CO 0.76 -0.20 1.05 -1.10 0.00 0.00 0.00 174.94 175.46 1xa8 s GLN 97 N 1.44 4.38 -0.31 2.79 -0.21 -0.03 -4.79 119.66 122.93 1xa8 s GLN 97 Ca -0.01 1.45 -0.10 0.00 0.02 0.00 0.00 55.36 56.72 1xa8 s GLN 97 Cb -0.19 -3.57 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 1xa8 s GLN 97 CO 0.04 -0.40 0.15 1.03 -2.12 0.00 0.00 175.29 173.99 1xa8 s ARG 98 N 2.29 3.41 -0.22 2.91 0.52 -1.26 -0.80 118.95 125.79 1xa8 s ARG 98 Ca 0.49 -0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 1xa8 s ARG 98 Cb -0.19 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 1xa8 s ARG 98 CO 0.17 -0.39 0.50 -1.01 0.02 0.00 0.00 175.30 174.59 1xa8 s HIS 99 N 1.63 3.34 0.00 -0.53 3.76 -0.29 -0.78 115.29 122.41 1xa8 s HIS 99 Ca 0.05 0.71 0.02 0.00 -0.15 0.00 0.00 55.06 55.68 1xa8 s HIS 99 Cb -0.17 -2.66 -0.01 0.00 1.11 0.00 0.00 32.58 30.85 1xa8 s HIS 99 CO 0.07 -0.14 -0.06 0.50 -0.85 0.00 0.00 174.74 174.26 1xa8 s ARG 100 N 1.77 0.45 -0.01 1.40 3.52 -0.22 0.02 118.95 125.88 1xa8 s ARG 100 Ca 0.22 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1xa8 s ARG 100 Cb -0.15 -0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 32.77 1xa8 s ARG 100 CO 0.09 0.11 1.45 0.00 -0.81 0.00 0.00 175.30 176.14 1xa8 h ARG 102 N 8.13 0.00 0.09 0.00 0.11 -1.60 0.51 114.38 121.62 1xa8 h ARG 102 Ca -0.38 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.39 1xa8 h ARG 102 Cb 1.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 1xa8 h ARG 102 CO 0.92 0.00 -1.71 -0.44 0.10 0.00 0.00 179.97 178.84 1xa8 h ASP 103 N 0.00 0.31 0.00 0.08 3.32 -1.92 -3.40 116.42 114.81 1xa8 h ASP 103 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1xa8 h ASP 103 Cb 0.57 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1xa8 h ASP 103 CO 0.00 1.73 -1.06 0.00 -1.72 0.00 0.00 179.24 178.18 1xa8 n GLY 105 N 1.43 0.69 3.73 0.00 0.00 0.18 -5.00 105.19 106.22 1xa8 n GLY 105 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.88 3.84 -0.19 1.61 1.01 -1.25 -4.66 120.40 117.89 1xa8 s VAL 106 Ca 0.00 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.22 1xa8 s VAL 106 Cb 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1xa8 s VAL 106 CO 0.00 0.21 0.84 -1.00 0.00 0.00 0.00 175.10 175.15 1xa8 s HIS 107 N 0.19 3.39 -0.08 5.22 3.76 -1.26 0.36 115.29 126.87 1xa8 s HIS 107 Ca 0.53 1.23 0.14 0.00 -0.15 0.00 0.00 55.06 56.81 1xa8 s HIS 107 Cb -0.30 -3.03 -0.22 0.00 1.11 0.00 0.00 32.58 30.14 1xa8 s HIS 107 CO 0.34 -0.28 0.62 -1.33 -0.85 0.00 0.00 174.74 173.23 1xa8 n MET 108 N 5.44 0.64 -3.51 1.40 2.81 0.10 -4.78 117.12 119.22 1xa8 n MET 108 Ca 0.05 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.09 1xa8 n MET 108 Cb 0.48 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 1xa8 n MET 108 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1xa8 s TYR 109 N -2.66 -0.36 -0.05 2.03 -0.85 -1.12 -4.77 117.35 109.57 1xa8 s TYR 109 Ca -0.05 0.20 0.05 0.00 -0.52 0.00 0.00 57.07 56.75 1xa8 s TYR 109 Cb 0.08 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1xa8 s TYR 109 CO 0.82 -0.62 -0.20 0.20 -1.52 0.00 0.00 175.55 174.23 1xa8 s GLY 110 N -2.56 1.08 -0.04 5.49 0.00 0.35 -1.14 107.32 110.51 1xa8 s GLY 110 Ca 0.05 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1xa8 s GLY 110 CO -0.09 -0.46 -0.13 -1.60 0.00 0.00 0.00 173.10 170.82 1xa8 s ARG 111 N -0.02 1.43 -0.38 2.90 3.52 0.02 -1.12 118.95 125.30 1xa8 s ARG 111 Ca -0.04 -0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 54.94 1xa8 s ARG 111 Cb -0.13 -1.26 0.01 0.00 -1.56 0.00 0.00 34.95 32.01 1xa8 s ARG 111 CO 0.03 0.15 0.48 0.42 -0.81 0.00 0.00 175.30 175.56 1xa8 s ILE 112 N 0.24 5.04 -1.06 4.11 1.01 -1.26 -0.85 121.20 128.43 1xa8 s ILE 112 Ca -0.06 0.04 0.25 0.00 0.00 0.00 0.00 60.65 60.88 1xa8 s ILE 112 Cb -0.11 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1xa8 s ILE 112 CO 0.02 -0.31 1.37 -0.62 0.00 0.00 0.00 174.94 175.40 1xa8 n GLU 113 N 5.70 0.06 -3.31 2.79 4.71 -1.26 -4.62 120.64 124.71 1xa8 n GLU 113 Ca -0.06 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.16 56.66 1xa8 n GLU 113 Cb 0.48 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.34 1xa8 n GLU 113 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1xa8 s ASN 114 N -2.96 6.46 0.19 1.62 2.47 -1.26 -4.97 114.94 116.48 1xa8 s ASN 114 Ca 0.12 0.55 0.22 0.00 0.42 0.00 0.00 52.86 54.16 1xa8 s ASN 114 Cb 0.17 -2.26 0.89 0.00 -1.45 0.00 0.00 41.25 38.60 1xa8 s ASN 114 CO 0.71 -0.17 1.66 0.54 -3.72 0.00 0.00 177.10 176.12 1xa8 n ARG 115 N 4.88 0.15 0.00 0.43 1.74 -1.26 -2.60 116.66 120.00 1xa8 n ARG 115 Ca -0.06 0.36 0.11 0.00 -0.77 0.00 0.00 57.85 57.49 1xa8 n ARG 115 Cb 0.51 -1.77 0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1xa8 n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xa8 n ASP 116 N -2.04 0.71 -4.77 0.55 8.00 -1.26 -4.90 116.55 112.84 1xa8 n ASP 116 Ca 0.03 -0.56 -0.41 0.00 0.71 0.00 0.00 54.79 54.56 1xa8 n ASP 116 Cb 0.23 0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 41.88 1xa8 n ASP 116 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1xa8 s HIS 117 N -3.00 2.77 0.53 1.24 2.46 -1.07 -4.92 115.29 113.30 1xa8 s HIS 117 Ca 0.10 1.19 0.33 0.00 0.47 0.00 0.00 55.06 57.14 1xa8 s HIS 117 Cb 0.17 -3.92 1.49 0.00 -0.13 0.00 0.00 32.58 30.19 1xa8 s HIS 117 CO 0.77 -2.71 1.86 -1.35 -2.47 0.00 0.00 174.74 170.84 1xa8 h PRO 118 N 3.45 0.02 -0.43 2.88 0.11 -1.92 -2.12 132.00 133.98 1xa8 h PRO 118 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xa8 h PRO 118 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xa8 h PRO 118 CO 0.67 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.66 1xa8 n PHE 119 N -4.25 1.32 -1.69 0.65 3.01 -1.26 -4.98 117.46 110.26 1xa8 n PHE 119 Ca 0.21 -0.75 -0.44 0.00 1.01 0.00 0.00 57.45 57.47 1xa8 n PHE 119 Cb 1.04 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 40.15 1xa8 n PHE 119 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1xa8 n TYR 120 N 0.20 2.39 -0.68 1.38 9.36 -0.80 -1.58 117.16 127.42 1xa8 n TYR 120 Ca 0.23 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1xa8 n TYR 120 Cb 0.94 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 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 2.56 0.82 3.34 2.98 0.00 -1.26 -5.06 105.19 108.57 1xa8 n GLY 121 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 2.88 0.16 0.99 2.01 -0.61 -2.12 118.68 121.98 1xa8 s LEU 122 Ca 0.00 -0.35 -0.16 0.00 0.01 0.00 0.00 54.13 53.63 1xa8 s LEU 122 Cb 0.00 -1.71 -0.07 0.00 0.01 0.00 0.00 46.19 44.42 1xa8 s LEU 122 CO 0.00 0.05 0.59 -1.81 1.01 0.00 0.00 176.35 176.18 1xa8 s ASP 123 N 1.07 6.89 -0.18 2.29 1.11 0.42 -4.39 116.67 123.89 1xa8 s ASP 123 Ca 0.01 1.16 -0.09 0.00 0.18 0.00 0.00 52.55 53.81 1xa8 s ASP 123 Cb -0.15 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.48 1xa8 s ASP 123 CO -0.01 0.10 0.10 -0.36 1.18 0.00 0.00 175.17 176.18 1xa8 s PHE 124 N -1.45 3.35 0.08 4.23 0.40 -0.28 -1.09 117.98 123.22 1xa8 s PHE 124 Ca 0.38 0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.86 1xa8 s PHE 124 Cb -0.16 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 1xa8 s PHE 124 CO 0.19 0.26 0.18 0.14 0.70 0.00 0.00 175.22 176.70 1xa8 s VAL 125 N 0.25 0.14 -0.56 -0.44 -7.23 -0.49 -0.50 120.40 111.57 1xa8 s VAL 125 Ca 0.06 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1xa8 s VAL 125 Cb -0.12 -1.28 0.14 0.00 0.56 0.00 0.00 36.38 35.69 1xa8 s VAL 125 CO -0.01 -0.65 0.33 -1.00 -0.31 0.00 0.00 175.10 173.47 1xa8 s HIS 126 N -3.65 3.30 -1.49 2.82 3.76 -1.26 -1.35 115.29 117.42 1xa8 s HIS 126 Ca 0.03 -2.97 0.08 0.00 -0.15 0.00 0.00 55.06 52.05 1xa8 s HIS 126 Cb 0.04 -2.99 0.39 0.00 1.11 0.00 0.00 32.58 31.13 1xa8 s HIS 126 CO -0.10 -0.79 1.09 0.25 -0.85 0.00 0.00 174.74 174.33 1xa8 n THR 127 N 3.32 0.76 0.30 1.30 -2.24 -1.26 -1.07 114.28 115.39 1xa8 n THR 127 Ca 0.06 0.19 0.17 0.00 -2.27 0.00 0.00 64.05 62.20 1xa8 n THR 127 Cb 0.35 -1.07 0.70 0.00 -2.10 0.00 0.00 70.33 68.22 1xa8 n THR 127 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xa8 h GLU 128 N 0.00 0.00 0.00 -0.78 4.11 -1.92 -2.13 114.58 113.85 1xa8 h GLU 128 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xa8 h GLU 128 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xa8 h GLU 128 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 1xa8 n LEU 129 N -2.94 0.26 -4.75 3.06 4.77 -0.23 -4.74 117.00 112.43 1xa8 n LEU 129 Ca 0.00 0.53 -0.40 0.00 -0.03 0.00 0.00 56.01 56.12 1xa8 n LEU 129 Cb 0.27 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1xa8 n LEU 129 CO 0.25 -0.12 0.44 -0.55 -1.33 0.00 0.00 177.39 176.08 1xa8 s SER 130 N -3.49 7.19 0.02 -1.43 0.15 -0.80 -2.22 113.70 113.12 1xa8 s SER 130 Ca 0.11 1.42 0.27 0.00 0.70 0.00 0.00 55.95 58.45 1xa8 s SER 130 Cb 0.15 -2.46 1.11 0.00 -1.71 0.00 0.00 66.02 63.12 1xa8 s SER 130 CO 0.50 0.04 1.85 0.47 1.20 0.00 0.00 173.24 177.30 1xa8 n ASP 131 N 2.74 0.08 -4.82 5.45 8.00 -1.26 -4.82 116.55 121.92 1xa8 n ASP 131 Ca -0.03 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.62 1xa8 n ASP 131 Cb 0.50 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1xa8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xa8 s GLU 132 N -3.01 4.20 0.58 -1.24 8.01 -1.26 -5.11 118.70 120.87 1xa8 s GLU 132 Ca 0.13 0.81 0.02 0.00 0.01 0.00 0.00 54.97 55.94 1xa8 s GLU 132 Cb 0.17 -2.86 0.06 0.00 -4.31 0.00 0.00 34.13 27.19 1xa8 s GLU 132 CO 0.50 0.39 0.81 -0.51 0.01 0.00 0.00 175.26 176.45 1xa8 s ASP 133 N -1.70 5.09 0.00 -0.19 1.01 -1.26 -4.74 116.67 114.88 1xa8 s ASP 133 Ca 0.43 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1xa8 s ASP 133 Cb -0.16 -0.57 0.00 0.00 1.01 0.00 0.00 42.92 43.20 1xa8 s ASP 133 CO 0.21 -1.29 0.00 0.61 0.21 0.00 0.00 175.17 174.91 1xa8 n GLY 134 N -2.40 0.55 3.68 0.21 0.00 -1.26 -4.91 105.19 101.06 1xa8 n GLY 134 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 1.88 0.35 1.61 0.52 -1.26 -2.52 118.94 117.52 1xa8 s TRP 135 Ca 0.00 1.64 -0.25 0.00 0.02 0.00 0.00 56.10 57.51 1xa8 s TRP 135 Cb 0.00 -3.23 -0.10 0.00 -1.15 0.00 0.00 33.47 28.99 1xa8 s TRP 135 CO 0.00 -2.63 0.95 -1.54 0.02 0.00 0.00 176.95 173.75 1xa8 s SER 136 N -2.89 7.24 0.42 2.95 1.04 -1.26 -3.57 113.70 117.62 1xa8 s SER 136 Ca 0.65 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.83 1xa8 s SER 136 Cb -0.21 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.29 1xa8 s SER 136 CO 0.58 -0.14 0.74 0.00 0.98 0.00 0.00 173.24 175.40 1xa8 s ALA 137 N -1.72 3.41 0.32 5.32 0.00 -1.26 -4.78 121.76 123.05 1xa8 s ALA 137 Ca 0.53 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1xa8 s ALA 137 Cb -0.17 -2.59 -0.11 0.00 0.00 0.00 0.00 23.12 20.25 1xa8 s ALA 137 CO 0.22 -0.12 1.48 -1.25 0.00 0.00 0.00 175.76 176.09 1xa8 s PRO 138 N -4.18 4.18 -0.05 0.00 0.04 -1.26 -4.43 135.00 129.30 1xa8 s PRO 138 Ca 0.48 2.46 0.12 0.00 0.04 0.00 0.00 61.00 64.11 1xa8 s PRO 138 Cb -0.10 -3.03 -0.19 0.00 0.04 0.00 0.00 34.50 31.22 1xa8 s PRO 138 CO 0.37 -0.48 0.22 0.39 0.04 0.00 0.00 177.00 177.53 1xa8 n GLU 139 N 1.33 0.86 -3.47 4.56 1.02 0.53 -4.90 120.64 120.58 1xa8 n GLU 139 Ca 0.04 -0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.03 1xa8 n GLU 139 Cb 0.39 -1.31 0.02 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.10 -1.88 -5.01 -0.32 1.16 -1.26 -4.41 117.46 103.64 1xa8 n PHE 140 Ca -0.07 -1.45 -0.32 0.00 -1.87 0.00 0.00 57.45 53.73 1xa8 n PHE 140 Cb 0.50 0.72 -0.15 0.00 -1.61 0.00 0.00 39.48 38.94 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 -1.93 2.42 0.26 1.98 0.00 -0.98 -2.18 121.76 121.33 1xa8 s ALA 141 Ca 0.16 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.27 1xa8 s ALA 141 Cb -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1xa8 s ALA 141 CO 0.08 0.36 -0.14 0.00 0.00 0.00 0.00 175.76 176.07 1xa8 s ALA 142 N 0.01 2.86 -1.46 0.00 0.00 0.13 -1.15 121.76 122.15 1xa8 s ALA 142 Ca -0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 1xa8 s ALA 142 Cb -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1xa8 s ALA 142 CO 0.05 0.31 0.44 1.19 0.00 0.00 0.00 175.76 177.74 1xa8 n PHE 143 N -0.55 -1.63 -0.10 0.00 3.72 -0.63 -1.06 117.46 117.20 1xa8 n PHE 143 Ca -0.07 0.74 -0.13 0.00 -0.05 0.00 0.00 57.45 57.95 1xa8 n PHE 143 Cb 0.59 -3.55 -0.03 0.00 -0.94 0.00 0.00 39.48 35.54 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 -1.79 1.29 0.00 -4.37 2.07 -1.53 -2.71 116.25 109.22 1xa8 h VAL 144 Ca -0.63 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 1xa8 h VAL 144 Cb 1.38 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1xa8 h VAL 144 CO 0.65 0.47 -0.07 0.77 0.02 0.00 0.00 177.57 179.41 1xa8 h SER 145 N 0.53 0.00 0.26 0.57 4.64 -1.84 -2.69 113.55 115.03 1xa8 h SER 145 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xa8 h SER 145 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1xa8 h SER 145 CO 0.07 0.07 0.00 0.28 -0.87 0.00 0.00 176.83 176.38 1xa8 h SER 146 N 0.00 0.00 0.35 4.97 0.02 -1.76 -2.91 113.55 114.22 1xa8 h SER 146 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1xa8 h SER 146 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1xa8 h SER 146 CO 0.01 0.00 -0.29 0.16 -1.14 0.00 0.00 176.83 175.57 1xa8 h ILE 147 N 0.00 1.12 -0.96 3.27 3.07 -1.57 -2.06 117.51 120.38 1xa8 h ILE 147 Ca 0.00 -1.02 0.17 0.00 1.55 0.00 0.00 64.86 65.56 1xa8 h ILE 147 Cb 0.13 1.57 -0.09 0.00 -0.27 0.00 0.00 36.82 38.16 1xa8 h ILE 147 CO 0.00 0.28 0.61 0.40 -1.05 0.00 0.00 178.15 178.39 1xa8 h ILE 148 N 0.00 0.76 0.00 0.16 2.04 -1.66 -2.10 117.51 116.71 1xa8 h ILE 148 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xa8 h ILE 148 Cb 0.54 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1xa8 h ILE 148 CO 0.04 0.13 0.00 -0.62 0.00 0.00 0.00 178.15 177.70 1xa8 n GLU 149 N -4.64 0.08 -0.27 2.37 1.02 -0.77 -1.46 120.64 116.97 1xa8 n GLU 149 Ca 0.21 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.73 1xa8 n GLU 149 Cb 0.55 -1.65 0.22 0.00 -0.02 0.00 0.00 31.44 30.53 1xa8 n GLU 149 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xa8 n SER 150 N -1.81 3.36 0.00 1.62 7.64 -0.82 -4.99 113.62 118.62 1xa8 n SER 150 Ca 0.03 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1xa8 n SER 150 Cb 0.20 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.84 0.44 3.68 0.23 0.00 -0.54 -5.08 105.19 104.77 1xa8 n GLY 151 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xa8 n GLY 151 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xa8 n VAL 152 N -1.44 0.52 -2.01 1.61 0.31 -1.03 -4.96 118.33 111.33 1xa8 n VAL 152 Ca 0.00 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1xa8 n VAL 152 Cb 0.00 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 30.72 1xa8 n VAL 152 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xa8 s ASP 153 N 3.40 6.67 0.60 4.52 2.15 -1.26 -4.09 116.67 128.66 1xa8 s ASP 153 Ca 0.85 2.47 0.28 0.00 0.43 0.00 0.00 52.55 56.58 1xa8 s ASP 153 Cb -0.48 -2.58 1.34 0.00 -0.30 0.00 0.00 42.92 40.90 1xa8 s ASP 153 CO 0.40 -0.80 1.74 1.55 -0.17 0.00 0.00 175.17 177.89 1xa8 h PRO 154 N 7.38 0.00 0.00 4.34 0.13 -1.95 0.17 132.00 142.08 1xa8 h PRO 154 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1xa8 h PRO 154 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xa8 h PRO 154 CO 0.91 0.00 -0.06 0.66 -0.23 0.00 0.00 178.00 179.28 1xa8 h SER 155 N 0.00 0.00 0.48 1.44 4.64 -2.03 -2.84 113.55 115.25 1xa8 h SER 155 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xa8 h SER 155 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1xa8 h SER 155 CO -0.00 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 1xa8 n ARG 156 N -3.16 0.29 0.11 4.77 1.74 0.60 -4.40 116.66 116.63 1xa8 n ARG 156 Ca 0.01 0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1xa8 n ARG 156 Cb 0.38 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.27 5.56 2.86 -1.65 -2.75 114.93 118.69 1xa8 h MET 157 Ca 0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1xa8 h MET 157 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xa8 h MET 157 CO 0.00 0.72 -0.56 1.49 1.06 0.00 0.00 176.91 179.63 1xa8 h GLU 158 N 0.00 0.83 -0.11 1.72 4.81 -1.83 0.13 114.58 120.14 1xa8 h GLU 158 Ca -0.01 -0.53 -0.16 0.00 -0.13 0.00 0.00 59.36 58.53 1xa8 h GLU 158 Cb 1.35 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.80 1xa8 h GLU 158 CO 0.09 1.16 -0.57 0.00 -0.73 0.00 0.00 179.01 178.97 1xa8 h ALA 159 N 0.73 0.22 -0.27 2.92 0.00 -1.86 -2.55 119.26 118.46 1xa8 h ALA 159 Ca 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1xa8 h ALA 159 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1xa8 h ALA 159 CO 0.12 0.45 -0.06 0.82 0.00 0.00 0.00 179.25 180.57 1xa8 h ILE 160 N 0.20 0.74 -0.93 0.00 2.04 -1.31 0.14 117.51 118.38 1xa8 h ILE 160 Ca -0.04 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1xa8 h ILE 160 Cb 1.21 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1xa8 h ILE 160 CO 0.12 0.00 0.61 0.03 0.00 0.00 0.00 178.15 178.91 1xa8 h ARG 161 N 0.01 1.16 -0.30 2.37 3.08 -0.81 -2.30 114.38 117.59 1xa8 h ARG 161 Ca 0.13 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1xa8 h ARG 161 Cb 0.20 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1xa8 h ARG 161 CO -0.27 0.77 0.06 0.00 -1.07 0.00 0.00 179.97 179.45 1xa8 h ALA 162 N 1.38 0.39 -0.56 0.04 0.00 -1.33 -2.57 119.26 116.61 1xa8 h ALA 162 Ca 0.37 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1xa8 h ALA 162 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1xa8 h ALA 162 CO -0.11 0.07 0.35 -0.09 0.00 0.00 0.00 179.25 179.47 1xa8 h ARG 163 N 0.31 0.68 0.40 0.00 9.65 -1.00 0.23 114.38 124.65 1xa8 h ARG 163 Ca 0.09 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1xa8 h ARG 163 Cb 0.32 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1xa8 h ARG 163 CO 0.00 0.45 -0.44 -0.07 2.80 0.00 0.00 179.97 182.71 1xa8 h LEU 164 N 0.70 -1.22 -0.70 3.80 3.38 -1.39 -0.82 115.31 119.05 1xa8 h LEU 164 Ca 0.22 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.44 1xa8 h LEU 164 Cb -0.01 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1xa8 h LEU 164 CO -0.08 -0.59 0.16 0.03 0.09 0.00 0.00 178.44 178.05 1xa8 h ARG 165 N -0.87 0.26 -0.87 1.13 3.08 -1.44 -1.20 114.38 114.47 1xa8 h ARG 165 Ca -0.04 -0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.21 1xa8 h ARG 165 Cb 0.78 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.64 1xa8 h ARG 165 CO -0.09 0.17 0.34 0.93 -1.07 0.00 0.00 179.97 180.26 1xa8 h GLU 166 N 0.27 0.35 0.00 0.04 5.08 -0.51 -1.81 114.58 117.99 1xa8 h GLU 166 Ca 0.39 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xa8 h GLU 166 Cb 0.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xa8 h GLU 166 CO -0.48 0.23 0.00 1.28 -1.00 0.00 0.00 179.01 179.04 1xa8 n LEU 167 N -5.08 0.00 0.00 1.33 4.77 -0.35 -4.89 117.00 112.77 1xa8 n LEU 167 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1xa8 n LEU 167 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1xa8 n LEU 167 CO 0.12 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1xa8 n GLY 168 N 0.68 0.48 3.18 -0.72 0.00 -0.68 -5.03 105.19 103.11 1xa8 n GLY 168 Ca 0.19 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 5.73 -0.09 0.99 1.43 -0.55 -4.70 118.68 121.50 1xa8 s LEU 169 Ca 0.00 -2.54 -0.30 0.00 -1.03 0.00 0.00 54.13 50.27 1xa8 s LEU 169 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1xa8 s LEU 169 CO 0.00 -0.51 1.53 -0.70 0.23 0.00 0.00 176.35 176.90 1xa8 s GLU 170 N 0.41 4.20 0.11 1.70 2.56 -1.26 -3.59 118.70 122.82 1xa8 s GLU 170 Ca 0.14 2.03 -0.31 0.00 0.00 0.00 0.00 54.97 56.83 1xa8 s GLU 170 Cb -0.19 -3.91 -0.08 0.00 2.00 0.00 0.00 34.13 31.94 1xa8 s GLU 170 CO -0.04 -0.80 1.51 -1.25 -0.56 0.00 0.00 175.26 174.11 1xa8 s PRO 171 N 3.85 4.25 0.05 4.30 0.04 -1.26 -2.31 135.00 143.93 1xa8 s PRO 171 Ca 0.68 2.21 0.09 0.00 0.04 0.00 0.00 61.00 64.01 1xa8 s PRO 171 Cb -0.30 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1xa8 s PRO 171 CO 0.25 -0.57 -0.24 0.71 0.04 0.00 0.00 177.00 177.18 1xa8 s TYR 172 N 1.62 2.12 -2.06 0.56 1.51 -0.30 -4.97 117.35 115.82 1xa8 s TYR 172 Ca 0.68 -0.40 0.31 0.00 -1.01 0.00 0.00 57.07 56.65 1xa8 s TYR 172 Cb -0.39 -1.26 1.61 0.00 -0.11 0.00 0.00 41.96 41.81 1xa8 s TYR 172 CO 0.30 0.13 2.06 -0.25 -1.11 0.00 0.00 175.55 176.69 1xa8 n ASP 173 N 1.73 0.42 0.00 2.29 8.00 -1.26 -1.61 116.55 126.12 1xa8 n ASP 173 Ca -0.17 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1xa8 n ASP 173 Cb 0.53 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.72 0.00 -1.94 2.24 0.00 -1.26 -4.01 120.51 114.83 1xa8 n ALA 174 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 1xa8 n ALA 174 Cb 0.19 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.79 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 2.73 0.78 0.00 1.43 -1.26 -1.73 118.68 120.63 1xa8 s LEU 175 Ca 0.00 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1xa8 s LEU 175 Cb 0.00 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.77 1xa8 s LEU 175 CO 0.00 -2.34 1.09 -0.94 0.23 0.00 0.00 176.35 174.38 1xa8 s SER 176 N -4.78 4.52 0.20 2.29 1.04 -1.26 -4.70 113.70 111.01 1xa8 s SER 176 Ca 0.69 1.74 -0.11 0.00 0.48 0.00 0.00 55.95 58.75 1xa8 s SER 176 Cb -0.06 -2.47 0.15 0.00 0.10 0.00 0.00 66.02 63.74 1xa8 s SER 176 CO 0.50 -2.01 1.84 -0.65 0.98 0.00 0.00 173.24 173.89 1xa8 h PRO 177 N -1.11 0.75 -0.28 4.02 0.11 -1.98 0.66 132.00 134.16 1xa8 h PRO 177 Ca -0.44 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1xa8 h PRO 177 Cb 1.23 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1xa8 h PRO 177 CO 0.53 0.49 -0.20 -1.35 -0.21 0.00 0.00 178.00 177.27 1xa8 h PRO 178 N 0.77 -0.17 -0.12 1.05 0.11 -1.99 0.12 132.00 131.77 1xa8 h PRO 178 Ca 0.25 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 1xa8 h PRO 178 Cb 0.01 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1xa8 h PRO 178 CO -0.10 -0.11 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.24 1xa8 h LEU 179 N -0.17 0.22 -0.35 2.35 3.38 -1.85 0.13 115.31 119.02 1xa8 h LEU 179 Ca 0.15 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1xa8 h LEU 179 Cb 0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xa8 h LEU 179 CO -0.39 0.50 -0.49 0.24 0.09 0.00 0.00 178.44 178.40 1xa8 h MET 180 N 0.20 0.88 0.23 1.13 2.86 -0.69 -2.93 114.93 116.60 1xa8 h MET 180 Ca 0.03 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1xa8 h MET 180 Cb 0.60 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1xa8 h MET 180 CO 0.04 1.16 -0.11 -0.44 1.06 0.00 0.00 176.91 178.62 1xa8 h ASP 181 N 0.69 -0.26 -0.96 1.22 5.19 -0.34 -2.48 116.42 119.48 1xa8 h ASP 181 Ca 0.03 -0.04 0.23 0.00 -0.62 0.00 0.00 57.03 56.63 1xa8 h ASP 181 Cb 1.09 0.07 -0.18 0.00 0.18 0.00 0.00 39.33 40.49 1xa8 h ASP 181 CO 0.11 -0.13 -0.10 0.00 -3.12 0.00 0.00 179.24 176.00 1xa8 h ALA 182 N 0.38 0.89 -0.35 3.45 0.00 -0.83 -1.61 119.26 121.19 1xa8 h ALA 182 Ca -0.03 0.35 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1xa8 h ALA 182 Cb 0.29 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xa8 h ALA 182 CO 0.05 -0.47 -0.41 0.82 0.00 0.00 0.00 179.25 179.24 1xa8 h ILE 183 N 0.01 1.28 -0.70 0.00 2.04 -1.37 -2.47 117.51 116.30 1xa8 h ILE 183 Ca 0.52 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1xa8 h ILE 183 Cb 0.94 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1xa8 h ILE 183 CO -0.94 0.52 0.46 0.00 0.00 0.00 0.00 178.15 178.19 1xa8 h ALA 184 N 0.83 1.48 -0.26 1.87 0.00 -1.05 -1.91 119.26 120.23 1xa8 h ALA 184 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1xa8 h ALA 184 Cb 0.99 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xa8 h ALA 184 CO 0.10 0.47 0.02 1.15 0.00 0.00 0.00 179.25 180.99 1xa8 h THR 185 N 0.96 1.25 -0.69 0.00 2.02 -1.11 0.42 112.91 115.75 1xa8 h THR 185 Ca 0.26 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.62 1xa8 h THR 185 Cb -0.10 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1xa8 h THR 185 CO -0.05 0.27 0.42 -0.74 0.37 0.00 0.00 175.52 175.79 1xa8 h HIS 186 N 0.23 0.79 -0.15 3.16 6.17 -1.30 -1.93 115.15 122.12 1xa8 h HIS 186 Ca 0.07 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.07 1xa8 h HIS 186 Cb 0.38 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1xa8 h HIS 186 CO 0.03 0.43 -0.37 0.82 0.71 0.00 0.00 177.93 179.55 1xa8 h ILE 187 N 0.82 1.29 -0.00 6.26 2.04 -1.20 -3.20 117.51 123.52 1xa8 h ILE 187 Ca 0.29 -1.45 -0.21 0.00 1.00 0.00 0.00 64.86 64.48 1xa8 h ILE 187 Cb 0.06 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xa8 h ILE 187 CO -0.13 0.44 -0.90 0.00 0.00 0.00 0.00 178.15 177.56 1xa8 h ALA 188 N 1.33 0.45 0.00 1.87 0.00 -0.48 -2.79 119.26 119.64 1xa8 h ALA 188 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1xa8 h ALA 188 Cb 0.78 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xa8 h ALA 188 CO 0.06 0.86 -0.45 0.87 0.00 0.00 0.00 179.25 180.59 1xa8 h LYS 189 N 0.18 0.00 0.00 0.00 1.57 -1.41 -1.90 116.57 115.00 1xa8 h LYS 189 Ca -0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 1xa8 h LYS 189 Cb 1.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1xa8 h LYS 189 CO 0.15 0.45 -0.80 0.00 -0.57 0.00 0.00 179.45 178.68 1xa8 h ARG 190 N 0.00 0.00 -0.00 3.15 2.47 -1.53 -3.29 114.38 115.18 1xa8 h ARG 190 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xa8 h ARG 190 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1xa8 h ARG 190 CO 0.06 0.80 -0.18 -1.13 0.56 0.00 0.00 179.97 180.08 1xa8 n SER 191 N -3.45 0.35 0.00 7.04 3.41 -1.06 -4.89 113.62 115.01 1xa8 n SER 191 Ca -0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1xa8 n SER 191 Cb 0.81 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1xa8 n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xa8 n GLY 192 N 1.40 2.42 0.30 5.00 0.00 -1.16 -4.94 105.19 108.20 1xa8 n GLY 192 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 1.32 -3.75 4.61 0.00 -1.68 -3.38 119.26 116.39 1xa8 h ALA 193 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 1xa8 h ALA 193 Cb 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 1xa8 h ALA 193 CO 0.00 0.04 -0.83 -0.51 0.00 0.00 0.00 179.25 177.95 1xa8 s LEU 194 N -7.17 2.26 0.09 0.00 1.43 -0.81 -4.99 118.68 109.49 1xa8 s LEU 194 Ca -0.04 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.18 1xa8 s LEU 194 Cb 0.14 -0.87 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 1xa8 s LEU 194 CO 0.52 0.07 0.74 0.00 0.23 0.00 0.00 176.35 177.92 1xa8 s ALA 195 N -1.07 3.42 -2.07 4.21 0.00 -1.26 -4.23 121.76 120.76 1xa8 s ALA 195 Ca 0.06 0.27 0.31 0.00 0.00 0.00 0.00 51.96 52.61 1xa8 s ALA 195 Cb -0.10 -2.93 1.78 0.00 0.00 0.00 0.00 23.12 21.87 1xa8 s ALA 195 CO 0.03 0.18 2.16 0.00 0.00 0.00 0.00 175.76 178.13