#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8s n PHE 8 N 0.00 0.06 1.99 1.96 3.72 -1.26 -4.80 117.46 119.13 3a8s n PHE 8 Ca 0.00 -1.26 0.07 0.00 -0.05 0.00 0.00 57.45 56.21 3a8s n PHE 8 Cb 0.00 -0.21 0.42 0.00 -0.94 0.00 0.00 39.48 38.74 3a8s n PHE 8 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a8s n GLN 9 N -1.25 0.99 -4.03 -1.08 1.13 -1.26 -4.82 117.38 107.06 3a8s n GLN 9 Ca 0.18 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.16 3a8s n GLN 9 Cb 0.68 -1.22 -0.11 0.00 0.11 0.00 0.00 30.24 29.71 3a8s n GLN 9 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3a8s s SER 10 N -1.45 0.36 0.34 1.08 1.04 -1.26 -4.96 113.70 108.85 3a8s s SER 10 Ca 0.21 -0.74 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 3a8s s SER 10 Cb 0.10 0.15 -0.15 0.00 0.10 0.00 0.00 66.02 66.21 3a8s s SER 10 CO 0.16 -0.44 0.17 0.47 0.98 0.00 0.00 173.24 174.58 3a8s n ASP 11 N 0.89 -2.38 -3.75 7.02 8.00 -1.26 -4.69 116.55 120.38 3a8s n ASP 11 Ca -0.19 0.83 -0.13 0.00 0.71 0.00 0.00 54.79 56.00 3a8s n ASP 11 Cb 0.58 -0.84 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 3a8s n ASP 11 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3a8s s MET 12 N -0.94 1.58 0.10 -1.24 -1.94 -1.03 -4.97 119.30 110.86 3a8s s MET 12 Ca 0.57 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 3a8s s MET 12 Cb -0.66 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.53 3a8s s MET 12 CO 0.58 -0.62 -0.01 0.95 -0.01 0.00 0.00 175.02 175.91 3a8s s THR 13 N -3.69 0.38 -0.01 2.05 -4.23 -0.76 -1.16 115.64 108.21 3a8s s THR 13 Ca 0.32 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 3a8s s THR 13 Cb 0.02 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.11 3a8s s THR 13 CO 0.16 -0.76 0.39 0.72 -0.54 0.00 0.00 174.62 174.58 3a8s s PHE 14 N -3.84 -0.27 -0.05 3.99 -0.12 -0.62 -0.76 117.98 116.31 3a8s s PHE 14 Ca 0.15 0.40 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 3a8s s PHE 14 Cb 0.07 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.62 3a8s s PHE 14 CO -0.04 -0.45 -0.20 0.15 -0.05 0.00 0.00 175.22 174.63 3a8s s LYS 15 N -1.49 2.05 -0.18 1.99 1.02 -0.96 -1.83 119.74 120.34 3a8s s LYS 15 Ca -0.12 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 3a8s s LYS 15 Cb -0.04 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 3a8s s LYS 15 CO 0.04 0.28 -0.10 0.42 -0.92 0.00 0.00 175.35 175.07 3a8s s ILE 16 N 0.00 3.06 -0.27 2.17 -1.09 0.44 -1.81 121.20 123.71 3a8s s ILE 16 Ca -0.05 -0.62 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3a8s s ILE 16 Cb -0.12 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.45 3a8s s ILE 16 CO 0.03 0.48 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.84 3a8s s PHE 17 N 0.96 3.12 -0.23 3.97 0.08 -0.48 -1.11 117.98 124.29 3a8s s PHE 17 Ca -0.02 -1.50 -0.02 0.00 0.12 0.00 0.00 56.93 55.51 3a8s s PHE 17 Cb -0.15 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3a8s s PHE 17 CO -0.01 -0.71 -0.06 0.42 -0.10 0.00 0.00 175.22 174.76 3a8s s ILE 18 N 1.35 3.03 -0.52 0.64 1.01 0.56 -0.39 121.20 126.87 3a8s s ILE 18 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 3a8s s ILE 18 Cb -0.17 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 39.97 3a8s s ILE 18 CO -0.02 0.31 0.38 -0.62 0.00 0.00 0.00 174.94 174.98 3a8s s ASP 19 N 1.39 5.67 0.43 3.58 2.15 0.15 -0.92 116.67 129.12 3a8s s ASP 19 Ca 0.03 -2.13 0.03 0.00 0.43 0.00 0.00 52.55 50.91 3a8s s ASP 19 Cb -0.15 -1.98 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 3a8s s ASP 19 CO -0.05 -0.62 0.08 -0.83 -0.17 0.00 0.00 175.17 173.58 3a8s s GLY 20 N 2.24 2.68 -0.08 2.66 0.00 -0.28 -2.47 107.32 112.07 3a8s s GLY 20 Ca 0.09 -1.11 -0.20 0.00 0.00 0.00 0.00 44.72 43.49 3a8s s GLY 20 CO -0.02 -1.96 0.48 1.85 0.00 0.00 0.00 173.10 173.45 3a8s s GLU 21 N -3.78 0.75 -0.16 2.90 -6.30 -0.70 -0.73 118.70 110.68 3a8s s GLU 21 Ca 0.20 0.24 -0.01 0.00 -2.50 0.00 0.00 54.97 52.90 3a8s s GLU 21 Cb 0.03 0.35 0.05 0.00 0.00 0.00 0.00 34.13 34.56 3a8s s GLU 21 CO 0.11 -0.19 -0.02 0.08 0.02 0.00 0.00 175.26 175.27 3a8s s VAL 22 N -0.74 0.82 -1.37 3.70 1.01 0.18 -0.79 120.40 123.22 3a8s s VAL 22 Ca -0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3a8s s VAL 22 Cb -0.03 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3a8s s VAL 22 CO 0.05 0.04 0.44 0.59 0.00 0.00 0.00 175.10 176.22 3a8s n ASN 23 N 4.97 -4.67 0.00 3.32 3.02 0.46 -1.18 115.26 121.17 3a8s n ASN 23 Ca -0.10 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 3a8s n ASN 23 Cb 0.48 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 3a8s n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a8s n GLY 24 N -1.24 3.07 3.67 7.41 0.00 -1.26 -5.03 105.19 111.81 3a8s n GLY 24 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3a8s n GLY 24 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a8s s GLN 25 N -0.22 4.34 0.51 1.61 0.74 -0.32 -5.02 119.66 121.29 3a8s s GLN 25 Ca 0.00 1.34 -0.18 0.00 0.05 0.00 0.00 55.36 56.57 3a8s s GLN 25 Cb 0.00 -3.59 -0.08 0.00 1.10 0.00 0.00 33.01 30.44 3a8s s GLN 25 CO 0.00 -0.46 1.01 0.15 -0.55 0.00 0.00 175.29 175.44 3a8s s LYS 26 N 2.55 3.82 -0.04 1.67 1.02 -1.26 0.49 119.74 127.99 3a8s s LYS 26 Ca 0.46 1.18 -0.26 0.00 0.02 0.00 0.00 55.97 57.36 3a8s s LYS 26 Cb -0.17 -2.11 0.06 0.00 -0.52 0.00 0.00 37.83 35.09 3a8s s LYS 26 CO 0.12 -0.39 0.57 -0.59 -0.92 0.00 0.00 175.35 174.14 3a8s s PHE 27 N -2.29 -0.52 0.07 3.18 -0.12 0.09 -4.88 117.98 113.51 3a8s s PHE 27 Ca 0.63 0.89 0.03 0.00 -0.05 0.00 0.00 56.93 58.44 3a8s s PHE 27 Cb -0.13 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 3a8s s PHE 27 CO 0.25 -0.54 -0.10 0.95 -0.05 0.00 0.00 175.22 175.73 3a8s s THR 28 N -1.20 0.83 -0.05 -4.49 -4.23 -1.26 -1.13 115.64 104.11 3a8s s THR 28 Ca -0.12 -1.40 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3a8s s THR 28 Cb -0.02 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.78 3a8s s THR 28 CO 0.08 -0.45 0.11 -0.63 -0.54 0.00 0.00 174.62 173.19 3a8s s ILE 29 N -1.92 -0.03 -0.03 2.99 1.01 -0.09 -1.51 121.20 121.62 3a8s s ILE 29 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.80 3a8s s ILE 29 Cb -0.06 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 3a8s s ILE 29 CO 0.00 0.04 -0.18 0.68 0.00 0.00 0.00 174.94 175.49 3a8s s VAL 30 N 0.65 2.78 0.06 2.92 -7.23 -0.91 -0.32 120.40 118.35 3a8s s VAL 30 Ca -0.05 -0.89 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 3a8s s VAL 30 Cb -0.07 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.83 3a8s s VAL 30 CO -0.03 0.55 0.38 0.00 -0.31 0.00 0.00 175.10 175.69 3a8s s ALA 31 N -0.74 -0.91 0.23 1.32 0.00 -0.26 -0.46 121.76 120.94 3a8s s ALA 31 Ca 0.12 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 3a8s s ALA 31 Cb -0.10 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3a8s s ALA 31 CO 0.01 -0.49 0.54 0.16 0.00 0.00 0.00 175.76 175.98 3a8s s ASP 32 N -2.21 -0.20 0.01 0.00 1.47 -0.67 0.17 116.67 115.23 3a8s s ASP 32 Ca -0.03 -0.65 -0.06 0.00 1.18 0.00 0.00 52.55 52.99 3a8s s ASP 32 Cb -0.00 0.61 0.02 0.00 -0.34 0.00 0.00 42.92 43.21 3a8s s ASP 32 CO -0.05 -1.13 0.26 0.61 0.68 0.00 0.00 175.17 175.54 3a8s n GLY 33 N -0.37 0.71 3.22 2.12 0.00 -0.76 -1.06 105.19 109.05 3a8s n GLY 33 Ca -0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 3a8s n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a8s s SER 34 N -1.59 1.68 -0.29 1.61 1.04 -1.21 -1.59 113.70 113.36 3a8s s SER 34 Ca 0.06 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 3a8s s SER 34 Cb -0.00 -0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.20 3a8s s SER 34 CO 0.00 -0.29 0.10 -0.55 0.98 0.00 0.00 173.24 173.49 3a8s s SER 35 N -2.83 3.68 0.62 7.02 0.15 -0.31 -3.34 113.70 118.69 3a8s s SER 35 Ca 0.12 -1.39 -0.18 0.00 0.70 0.00 0.00 55.95 55.20 3a8s s SER 35 Cb -0.00 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 3a8s s SER 35 CO 0.00 -0.41 0.91 0.29 1.20 0.00 0.00 173.24 175.24 3a8s n LYS 36 N 5.03 0.80 -3.72 5.44 4.76 -1.26 -2.47 118.16 126.73 3a8s n LYS 36 Ca -0.04 0.31 -0.37 0.00 -2.87 0.00 0.00 58.31 55.34 3a8s n LYS 36 Cb 0.43 -2.12 -0.06 0.00 -1.84 0.00 0.00 35.03 31.43 3a8s n LYS 36 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3a8s s PHE 37 N -1.56 3.65 1.32 2.13 5.36 -1.26 -2.96 117.98 124.65 3a8s s PHE 37 Ca 0.76 0.71 -0.22 0.00 -0.96 0.00 0.00 56.93 57.22 3a8s s PHE 37 Cb -0.41 -2.09 0.33 0.00 -0.34 0.00 0.00 43.02 40.51 3a8s s PHE 37 CO 0.47 0.69 1.04 -1.25 -1.46 0.00 0.00 175.22 174.72 3a8s s PRO 38 N -1.01 -2.13 0.00 10.12 0.04 -1.26 -4.93 135.00 135.83 3a8s s PRO 38 Ca 0.18 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3a8s s PRO 38 Cb -0.14 -1.49 0.00 0.00 0.04 0.00 0.00 34.50 32.91 3a8s s PRO 38 CO 0.08 -4.31 0.00 0.72 0.04 0.00 0.00 177.00 173.53 3a8s n HIS 39 N -5.18 0.00 -0.99 0.56 8.25 -1.15 -4.77 115.22 111.93 3a8s n HIS 39 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3a8s n HIS 39 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3a8s n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8s n GLY 40 N 5.00 0.44 3.14 -1.41 0.00 0.38 -4.21 105.19 108.53 3a8s n GLY 40 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3a8s n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a8s s ASP 41 N -2.57 -1.46 0.17 1.61 -1.08 -1.26 -1.52 116.67 110.55 3a8s s ASP 41 Ca 0.00 -0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 51.18 3a8s s ASP 41 Cb 0.00 1.88 -0.04 0.00 -1.46 0.00 0.00 42.92 43.30 3a8s s ASP 41 CO 0.00 -0.15 0.09 0.72 0.52 0.00 0.00 175.17 176.35 3a8s s PHE 42 N 1.76 1.05 0.18 -5.34 -0.12 -0.81 -4.52 117.98 110.18 3a8s s PHE 42 Ca 0.17 -1.30 0.09 0.00 -0.05 0.00 0.00 56.93 55.85 3a8s s PHE 42 Cb -0.03 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 3a8s s PHE 42 CO -0.07 -0.56 -0.19 -0.80 -0.05 0.00 0.00 175.22 173.55 3a8s s ASN 43 N -3.12 2.82 0.03 1.98 0.02 -1.21 -1.74 114.94 113.72 3a8s s ASN 43 Ca 0.32 -0.89 0.01 0.00 -1.02 0.00 0.00 52.86 51.28 3a8s s ASN 43 Cb 0.07 -0.18 -0.02 0.00 0.02 0.00 0.00 41.25 41.15 3a8s s ASN 43 CO 0.07 -0.03 -0.05 0.54 0.02 0.00 0.00 177.10 177.65 3a8s s VAL 44 N -2.14 0.33 -0.22 1.60 0.11 -0.72 -3.31 120.40 116.05 3a8s s VAL 44 Ca 0.18 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 3a8s s VAL 44 Cb -0.05 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.44 3a8s s VAL 44 CO 0.08 -0.37 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.44 3a8s s HIS 45 N -1.23 2.09 0.02 1.54 0.09 -0.22 -1.60 115.29 115.98 3a8s s HIS 45 Ca -0.11 -1.52 0.08 0.00 -0.00 0.00 0.00 55.06 53.52 3a8s s HIS 45 Cb -0.09 -1.46 -0.02 0.00 -0.00 0.00 0.00 32.58 31.01 3a8s s HIS 45 CO -0.00 -0.73 -0.25 0.00 -0.00 0.00 0.00 174.74 173.76 3a8s s ALA 46 N 1.50 2.08 -0.04 -1.40 0.00 -0.76 -1.67 121.76 121.46 3a8s s ALA 46 Ca -0.04 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.79 3a8s s ALA 46 Cb -0.18 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3a8s s ALA 46 CO -0.07 0.50 -0.10 0.54 0.00 0.00 0.00 175.76 176.62 3a8s s VAL 47 N -0.72 0.94 -0.62 0.00 0.11 0.39 -0.73 120.40 119.77 3a8s s VAL 47 Ca 0.10 -0.41 -0.28 0.00 -2.93 0.00 0.00 61.98 58.47 3a8s s VAL 47 Cb -0.10 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 3a8s s VAL 47 CO 0.01 0.30 1.23 0.00 -3.33 0.00 0.00 175.10 173.31 3a8s h GLU 49 N 9.76 0.00 -0.11 0.00 5.08 -1.61 -2.38 114.58 125.32 3a8s h GLU 49 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3a8s h GLU 49 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3a8s h GLU 49 CO 1.21 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.47 3a8s n THR 50 N -2.95 0.14 0.00 1.13 -2.24 -1.25 -5.00 114.28 104.11 3a8s n THR 50 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3a8s n THR 50 Cb 0.29 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3a8s n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a8s n GLY 51 N 1.07 0.28 3.67 3.38 0.00 -0.90 -4.97 105.19 107.72 3a8s n GLY 51 Ca 0.16 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3a8s n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a8s s LYS 52 N 0.00 4.25 0.11 1.61 2.20 -1.26 -4.41 119.74 122.24 3a8s s LYS 52 Ca 0.00 1.71 -0.36 0.00 -0.36 0.00 0.00 55.97 56.96 3a8s s LYS 52 Cb 0.00 -3.74 -0.16 0.00 -1.51 0.00 0.00 37.83 32.42 3a8s s LYS 52 CO 0.00 -0.67 1.41 -0.11 -0.36 0.00 0.00 175.35 175.62 3a8s n LEU 53 N 6.36 2.06 -0.76 5.43 7.94 -1.26 -4.82 117.00 131.94 3a8s n LEU 53 Ca 0.14 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3a8s n LEU 53 Cb 0.45 -1.26 0.05 0.00 0.53 0.00 0.00 43.42 43.19 3a8s n LEU 53 CO 0.56 -0.83 0.37 -0.81 -1.11 0.00 0.00 177.39 175.58 3a8s n PRO 54 N 2.77 1.52 -3.54 1.96 -0.04 -1.26 -4.80 135.00 131.61 3a8s n PRO 54 Ca 0.18 -0.45 -0.08 0.00 -0.04 0.00 0.00 63.50 63.11 3a8s n PRO 54 Cb 0.22 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 3a8s n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a8s s MET 55 N -1.16 0.99 0.28 0.54 0.23 -1.26 -4.92 119.30 113.99 3a8s s MET 55 Ca 0.08 -0.40 -0.28 0.00 -1.03 0.00 0.00 55.69 54.05 3a8s s MET 55 Cb 0.06 0.43 -0.14 0.00 -1.53 0.00 0.00 34.83 33.65 3a8s s MET 55 CO 0.02 -0.44 1.00 0.45 -2.03 0.00 0.00 175.02 174.03 3a8s n SER 56 N -0.31 1.22 0.06 -1.18 2.88 -0.88 -4.86 113.62 110.56 3a8s n SER 56 Ca -0.10 1.18 -0.03 0.00 -1.33 0.00 0.00 58.87 58.59 3a8s n SER 56 Cb 0.62 -1.27 0.21 0.00 -0.75 0.00 0.00 64.21 63.02 3a8s n SER 56 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3a8s h TRP 57 N 2.04 0.39 -0.75 0.66 4.06 -1.94 -3.35 115.95 117.06 3a8s h TRP 57 Ca -0.39 -0.10 0.07 0.00 2.06 0.00 0.00 58.89 60.53 3a8s h TRP 57 Cb 1.34 -0.09 -0.09 0.00 -1.00 0.00 0.00 29.16 29.32 3a8s h TRP 57 CO 0.48 0.65 -0.44 1.63 -3.56 0.00 0.00 178.44 177.20 3a8s n LYS 58 N -4.07 -0.33 0.06 0.49 4.76 -1.26 0.00 118.16 117.82 3a8s n LYS 58 Ca -0.01 1.24 0.04 0.00 -2.87 0.00 0.00 58.31 56.71 3a8s n LYS 58 Cb 0.45 -1.83 0.20 0.00 -1.84 0.00 0.00 35.03 32.01 3a8s n LYS 58 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3a8s n PRO 59 N -4.80 0.05 -0.05 1.97 -0.02 -1.26 -0.92 135.00 129.98 3a8s n PRO 59 Ca 0.02 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 3a8s n PRO 59 Cb 0.20 -1.73 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 3a8s n PRO 59 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3a8s n ILE 60 N -1.73 0.13 -0.30 4.25 -5.35 0.10 -4.47 119.36 111.99 3a8s n ILE 60 Ca -0.00 -0.57 0.18 0.00 -0.27 0.00 0.00 62.75 62.09 3a8s n ILE 60 Cb 0.08 1.33 0.45 0.00 -1.74 0.00 0.00 39.64 39.76 3a8s n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a8s n HIS 62 N -4.62 0.00 -0.02 0.00 1.44 -1.26 -3.10 115.22 107.66 3a8s n HIS 62 Ca 0.22 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.85 3a8s n HIS 62 Cb 0.70 -0.42 -0.14 0.00 0.12 0.00 0.00 29.99 30.24 3a8s n HIS 62 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a8s n LEU 63 N -1.42 0.85 -3.92 2.39 4.77 0.33 -4.83 117.00 115.17 3a8s n LEU 63 Ca 0.09 0.40 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 3a8s n LEU 63 Cb 0.31 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3a8s n LEU 63 CO 0.26 0.37 0.50 2.30 -1.33 0.00 0.00 177.39 179.49 3a8s n ILE 64 N -3.03 3.50 0.00 -0.08 -5.35 -1.11 -5.07 119.36 108.22 3a8s n ILE 64 Ca -0.17 -5.36 0.00 0.00 -0.27 0.00 0.00 62.75 56.95 3a8s n ILE 64 Cb 1.04 -2.24 0.00 0.00 -1.74 0.00 0.00 39.64 36.70 3a8s n ILE 64 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a8s n GLU 68 N 1.70 0.00 -0.33 6.28 4.71 -1.26 -4.94 120.64 126.80 3a8s n GLU 68 Ca 0.25 0.00 0.16 0.00 -0.01 0.00 0.00 57.16 57.56 3a8s n GLU 68 Cb 0.37 0.00 0.40 0.00 -1.01 0.00 0.00 31.44 31.20 3a8s n GLU 68 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3a8s h PRO 69 N 0.00 0.59 0.00 3.49 0.11 -1.99 0.14 132.00 134.35 3a8s h PRO 69 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3a8s h PRO 69 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3a8s h PRO 69 CO 0.00 0.39 0.00 1.97 -0.21 0.00 0.00 178.00 180.15 3a8s n PHE 70 N -4.71 0.00 -1.10 0.65 1.16 -1.26 -1.83 117.46 110.37 3a8s n PHE 70 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.81 3a8s n PHE 70 Cb 0.68 -0.42 0.28 0.00 -1.61 0.00 0.00 39.48 38.41 3a8s n PHE 70 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3a8s n PHE 71 N -1.42 1.76 -3.74 2.97 3.72 0.49 -4.80 117.46 116.45 3a8s n PHE 71 Ca 0.04 -1.15 -0.35 0.00 -0.05 0.00 0.00 57.45 55.93 3a8s n PHE 71 Cb 0.11 -0.54 -0.08 0.00 -0.94 0.00 0.00 39.48 38.04 3a8s n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a8s s ALA 72 N -2.98 3.70 -0.31 4.37 0.00 -0.76 0.14 121.76 125.92 3a8s s ALA 72 Ca 0.50 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 3a8s s ALA 72 Cb 0.40 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.36 3a8s s ALA 72 CO 0.10 0.19 1.37 0.50 0.00 0.00 0.00 175.76 177.92 3a8s s ARG 73 N 0.26 3.84 0.33 0.00 3.52 -0.55 -4.63 118.95 121.72 3a8s s ARG 73 Ca 0.09 1.26 -0.03 0.00 -0.13 0.00 0.00 55.73 56.92 3a8s s ARG 73 Cb -0.11 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3a8s s ARG 73 CO -0.01 -1.22 0.58 0.71 -0.81 0.00 0.00 175.30 174.55 3a8s s TYR 74 N 4.68 3.50 0.92 5.12 1.51 -1.26 -2.07 117.35 129.75 3a8s s TYR 74 Ca 0.59 0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 57.10 3a8s s TYR 74 Cb -0.17 -2.06 0.21 0.00 -0.11 0.00 0.00 41.96 39.82 3a8s s TYR 74 CO 0.26 0.09 1.26 -0.35 -1.11 0.00 0.00 175.55 175.70 3a8s n PRO 75 N -1.39 -1.04 0.19 -1.71 -0.04 -1.26 -4.94 135.00 124.81 3a8s n PRO 75 Ca -0.02 -2.20 -0.13 0.00 -0.04 0.00 0.00 63.50 61.11 3a8s n PRO 75 Cb 0.55 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 3a8s n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a8s h ASP 76 N -1.50 -0.43 -0.94 3.54 3.32 -1.99 -3.30 116.42 115.12 3a8s h ASP 76 Ca -0.41 -0.14 0.18 0.00 0.02 0.00 0.00 57.03 56.69 3a8s h ASP 76 Cb 1.19 0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.68 3a8s h ASP 76 CO 0.31 -0.04 -0.26 1.23 -1.72 0.00 0.00 179.24 178.77 3a8s h GLY 77 N -0.90 0.59 -3.89 2.75 0.00 -2.03 -3.41 103.07 96.18 3a8s h GLY 77 Ca -0.05 0.34 -0.54 0.00 0.00 0.00 0.00 47.33 47.08 3a8s h GLY 77 CO 0.09 -0.34 -0.03 -0.42 0.00 0.00 0.00 176.54 175.84 3a8s s ILE 78 N -6.21 4.78 -0.01 2.60 1.01 -1.24 -5.06 121.20 117.06 3a8s s ILE 78 Ca -0.15 0.92 -0.19 0.00 0.00 0.00 0.00 60.65 61.24 3a8s s ILE 78 Cb 0.25 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3a8s s ILE 78 CO 0.76 0.18 0.53 -0.55 0.00 0.00 0.00 174.94 175.87 3a8s s SER 79 N -1.79 6.90 -1.25 3.58 0.15 -1.26 -4.68 113.70 115.36 3a8s s SER 79 Ca 0.41 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 58.04 3a8s s SER 79 Cb -0.15 -2.33 0.19 0.00 -1.71 0.00 0.00 66.02 62.02 3a8s s SER 79 CO 0.20 0.16 1.81 1.57 1.20 0.00 0.00 173.24 178.17 3a8s n HIS 80 N 2.55 2.92 -0.33 3.44 -0.00 -1.26 -4.77 115.22 117.77 3a8s n HIS 80 Ca -0.09 -2.78 0.19 0.00 0.46 0.00 0.00 57.72 55.50 3a8s n HIS 80 Cb 0.51 -1.86 0.37 0.00 -0.12 0.00 0.00 29.99 28.90 3a8s n HIS 80 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 3a8s h PHE 81 N 5.75 0.21 -0.82 1.57 3.57 -1.95 0.17 116.94 125.45 3a8s h PHE 81 Ca 0.36 0.06 0.09 0.00 3.53 0.00 0.00 57.97 62.02 3a8s h PHE 81 Cb 0.64 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3a8s h PHE 81 CO 1.21 -0.44 0.53 0.00 -2.23 0.00 0.00 178.31 177.39 3a8s h ALA 82 N 1.98 1.72 0.00 2.41 0.00 -1.91 -2.17 119.26 121.28 3a8s h ALA 82 Ca 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 3a8s h ALA 82 Cb 1.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a8s h ALA 82 CO -0.87 0.12 -0.17 1.96 0.00 0.00 0.00 179.25 180.29 3a8s h GLN 83 N 0.78 0.00 -1.69 0.00 4.20 -0.99 -3.29 115.11 114.13 3a8s h GLN 83 Ca 0.38 0.00 0.51 0.00 0.06 0.00 0.00 58.65 59.60 3a8s h GLN 83 Cb 0.42 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.10 3a8s h GLN 83 CO -0.15 0.87 1.18 0.93 -0.67 0.00 0.00 178.83 180.99 3a8s h GLU 84 N -1.00 0.02 0.00 1.46 3.07 -1.25 0.21 114.58 117.09 3a8s h GLU 84 Ca -0.04 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3a8s h GLU 84 Cb 0.92 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3a8s h GLU 84 CO -0.03 0.01 -0.00 0.00 -1.40 0.00 0.00 179.01 177.59 3a8s s PHE 86 N -4.21 3.48 -0.61 0.00 0.08 0.74 -1.93 117.98 115.53 3a8s s PHE 86 Ca -0.05 0.60 0.25 0.00 0.12 0.00 0.00 56.93 57.85 3a8s s PHE 86 Cb 0.13 -2.07 0.72 0.00 -0.57 0.00 0.00 43.02 41.23 3a8s s PHE 86 CO 0.43 0.19 1.73 -1.00 -0.10 0.00 0.00 175.22 176.47 3a8s h PRO 87 N 1.66 0.00 0.00 0.24 0.13 -1.87 -3.46 132.00 128.71 3a8s h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3a8s h PRO 87 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3a8s h PRO 87 CO 0.66 0.00 0.02 0.39 -0.23 0.00 0.00 178.00 178.84 3a8s n GLU 88 N -2.51 0.00 -0.06 0.86 4.71 -1.13 -4.53 120.64 117.98 3a8s n GLU 88 Ca 0.05 0.16 0.01 0.00 -0.01 0.00 0.00 57.16 57.37 3a8s n GLU 88 Cb 0.44 -1.52 -0.00 0.00 -1.01 0.00 0.00 31.44 29.35 3a8s n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a8s n GLY 89 N -1.13 -1.40 3.43 0.62 0.00 -0.81 -4.10 105.19 101.80 3a8s n GLY 89 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 3a8s n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3a8s s LEU 90 N 0.00 -0.46 0.26 0.99 -0.00 -1.15 -2.20 118.68 116.11 3a8s s LEU 90 Ca 0.00 0.18 0.06 0.00 -0.00 0.00 0.00 54.13 54.37 3a8s s LEU 90 Cb 0.00 2.47 -0.03 0.00 -0.00 0.00 0.00 46.19 48.63 3a8s s LEU 90 CO 0.00 -0.84 0.31 -0.55 -0.00 0.00 0.00 176.35 175.27 3a8s s SER 91 N -2.26 5.94 -0.10 1.48 0.15 0.24 -2.04 113.70 117.10 3a8s s SER 91 Ca -0.03 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 3a8s s SER 91 Cb -0.01 -1.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.78 3a8s s SER 91 CO -0.06 -0.11 0.20 -0.63 1.20 0.00 0.00 173.24 173.84 3a8s s ILE 92 N -2.08 -0.32 -0.34 6.45 1.01 -0.97 -0.70 121.20 124.25 3a8s s ILE 92 Ca 0.35 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.25 3a8s s ILE 92 Cb -0.08 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 42.06 3a8s s ILE 92 CO 0.28 0.13 0.13 -1.81 0.00 0.00 0.00 174.94 173.67 3a8s s ASP 93 N 2.32 5.42 0.27 3.58 1.11 0.04 0.42 116.67 129.83 3a8s s ASP 93 Ca 0.02 -1.05 0.10 0.00 0.18 0.00 0.00 52.55 51.79 3a8s s ASP 93 Cb -0.12 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 41.91 3a8s s ASP 93 CO -0.07 -0.33 -0.00 -0.60 1.18 0.00 0.00 175.17 175.35 3a8s s ARG 94 N 1.46 2.28 -0.13 8.23 3.52 -0.58 0.08 118.95 133.82 3a8s s ARG 94 Ca -0.00 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.05 3a8s s ARG 94 Cb -0.19 -2.15 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 3a8s s ARG 94 CO 0.04 0.35 0.34 -0.08 -0.81 0.00 0.00 175.30 175.14 3a8s s THR 95 N -2.33 0.00 -0.21 4.11 -1.32 0.19 -2.56 115.64 113.53 3a8s s THR 95 Ca 0.32 -0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.75 3a8s s THR 95 Cb -0.06 -0.48 0.07 0.00 -1.51 0.00 0.00 72.50 70.52 3a8s s THR 95 CO 0.20 -0.00 0.11 -0.69 -2.21 0.00 0.00 174.62 172.03 3a8s s VAL 96 N 0.17 -0.11 -0.21 5.08 1.01 -1.01 0.10 120.40 125.43 3a8s s VAL 96 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3a8s s VAL 96 Cb -0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3a8s s VAL 96 CO 0.00 -0.40 0.40 -0.60 0.00 0.00 0.00 175.10 174.50 3a8s s ARG 97 N 2.15 4.15 -0.19 2.72 3.52 -0.83 -1.14 118.95 129.34 3a8s s ARG 97 Ca 0.04 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.70 3a8s s ARG 97 Cb -0.16 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 3a8s s ARG 97 CO -0.17 -0.07 0.23 -0.06 -0.81 0.00 0.00 175.30 174.42 3a8s s PHE 98 N 1.41 3.42 -0.16 5.12 0.08 -1.04 0.72 117.98 127.52 3a8s s PHE 98 Ca 0.18 0.47 -0.29 0.00 0.12 0.00 0.00 56.93 57.41 3a8s s PHE 98 Cb -0.15 -2.29 -0.06 0.00 -0.57 0.00 0.00 43.02 39.95 3a8s s PHE 98 CO 0.08 0.21 2.16 0.39 -0.10 0.00 0.00 175.22 177.96 3a8s n GLU 99 N 3.72 2.15 -1.73 0.44 1.02 -0.31 -1.54 120.64 124.39 3a8s n GLU 99 Ca -0.13 0.66 -0.05 0.00 -0.02 0.00 0.00 57.16 57.62 3a8s n GLU 99 Cb 0.52 -3.14 -0.01 0.00 -0.02 0.00 0.00 31.44 28.79 3a8s n GLU 99 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3a8s n ASN 100 N 10.51 -2.65 -0.91 1.62 5.15 -1.26 -4.81 115.26 122.92 3a8s n ASN 100 Ca 0.28 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 3a8s n ASN 100 Cb 0.43 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 3a8s n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3a8s n ASP 101 N 1.16 0.00 -4.28 1.20 4.64 -0.59 -4.86 116.55 113.83 3a8s n ASP 101 Ca -0.05 -0.91 -0.29 0.00 -1.38 0.00 0.00 54.79 52.16 3a8s n ASP 101 Cb 0.40 0.00 0.19 0.00 -1.04 0.00 0.00 41.12 40.66 3a8s n ASP 101 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3a8s s GLY 102 N -0.91 1.63 0.14 0.27 0.00 -0.97 -4.48 107.32 103.00 3a8s s GLY 102 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 43.95 3a8s s GLY 102 CO 0.00 -0.10 -0.14 -0.51 0.00 0.00 0.00 173.10 172.35 3a8s s THR 103 N -3.31 1.38 -0.23 0.90 -4.23 -0.79 -2.50 115.64 106.86 3a8s s THR 103 Ca 0.69 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3a8s s THR 103 Cb -0.11 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.13 3a8s s THR 103 CO 0.54 -0.49 -0.02 0.00 -0.54 0.00 0.00 174.62 174.12 3a8s s MET 104 N -2.98 1.27 0.05 3.99 0.23 -0.29 -1.99 119.30 119.58 3a8s s MET 104 Ca 0.12 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 53.79 3a8s s MET 104 Cb -0.03 -2.42 -0.06 0.00 -1.53 0.00 0.00 34.83 30.78 3a8s s MET 104 CO 0.03 -0.63 0.49 0.99 -2.03 0.00 0.00 175.02 173.87 3a8s s THR 105 N 1.55 4.89 -0.01 3.16 2.01 -0.38 -2.42 115.64 124.45 3a8s s THR 105 Ca -0.03 0.98 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 3a8s s THR 105 Cb -0.18 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.54 3a8s s THR 105 CO -0.08 0.52 0.11 -0.94 -0.69 0.00 0.00 174.62 173.55 3a8s s SER 106 N -1.19 0.01 -0.11 3.53 1.04 -1.06 0.02 113.70 115.94 3a8s s SER 106 Ca 0.28 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3a8s s SER 106 Cb -0.18 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3a8s s SER 106 CO 0.16 -0.26 -0.19 -2.28 0.98 0.00 0.00 173.24 171.65 3a8s s HIS 107 N -0.97 2.68 0.12 5.02 2.46 -0.30 -1.53 115.29 122.78 3a8s s HIS 107 Ca -0.11 -0.87 0.06 0.00 0.47 0.00 0.00 55.06 54.61 3a8s s HIS 107 Cb -0.06 -1.77 -0.04 0.00 -0.13 0.00 0.00 32.58 30.58 3a8s s HIS 107 CO 0.01 -0.33 -0.03 -1.01 -2.47 0.00 0.00 174.74 170.90 3a8s s HIS 108 N 0.36 2.86 -0.12 3.88 3.76 0.17 -2.41 115.29 123.78 3a8s s HIS 108 Ca -0.15 -0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 54.62 3a8s s HIS 108 Cb -0.17 -1.45 0.05 0.00 1.11 0.00 0.00 32.58 32.12 3a8s s HIS 108 CO 0.07 0.48 0.07 0.99 -0.85 0.00 0.00 174.74 175.50 3a8s s THR 109 N -1.43 -0.02 -0.37 1.30 2.01 -0.65 -2.29 115.64 114.20 3a8s s THR 109 Ca 0.25 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 3a8s s THR 109 Cb -0.11 -0.47 0.09 0.00 0.01 0.00 0.00 72.50 72.02 3a8s s THR 109 CO 0.17 -0.09 0.15 -0.31 -0.69 0.00 0.00 174.62 173.84 3a8s s TYR 110 N 2.12 3.46 -0.17 4.92 2.02 -0.86 -0.94 117.35 127.90 3a8s s TYR 110 Ca 0.03 -2.15 -0.07 0.00 -0.37 0.00 0.00 57.07 54.52 3a8s s TYR 110 Cb -0.15 -2.84 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 3a8s s TYR 110 CO -0.07 -0.90 0.06 -1.21 -1.57 0.00 0.00 175.55 171.86 3a8s s GLU 111 N 1.21 3.84 0.14 -0.62 0.41 0.19 -2.95 118.70 120.92 3a8s s GLU 111 Ca 0.04 -0.34 -0.19 0.00 -0.41 0.00 0.00 54.97 54.07 3a8s s GLU 111 Cb -0.22 -3.16 -0.07 0.00 -1.78 0.00 0.00 34.13 28.90 3a8s s GLU 111 CO -0.02 0.35 0.63 -1.17 -0.49 0.00 0.00 175.26 174.55 3a8s s LEU 112 N 0.15 4.45 -0.45 1.80 1.98 -1.26 0.14 118.68 125.49 3a8s s LEU 112 Ca 0.04 1.31 0.09 0.00 -2.89 0.00 0.00 54.13 52.68 3a8s s LEU 112 Cb -0.12 -3.20 0.31 0.00 0.66 0.00 0.00 46.19 43.84 3a8s s LEU 112 CO 0.01 0.17 0.72 -0.67 -1.89 0.00 0.00 176.35 174.69 3a8s n ASP 113 N 1.25 1.76 0.00 3.68 2.03 0.37 -4.91 116.55 120.73 3a8s n ASP 113 Ca -0.07 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.12 3a8s n ASP 113 Cb 0.51 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 3a8s n ASP 113 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3a8s n ASP 114 N 0.53 0.00 -0.00 1.67 2.03 -1.26 -1.76 116.55 117.76 3a8s n ASP 114 Ca 0.26 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.63 3a8s n ASP 114 Cb 0.54 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 3a8s n ASP 114 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3a8s n THR 115 N 0.00 0.00 -4.14 5.18 -1.04 -1.26 -4.97 114.28 108.04 3a8s n THR 115 Ca 0.00 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.41 3a8s n THR 115 Cb 0.00 0.44 -0.14 0.00 -1.82 0.00 0.00 70.33 68.81 3a8s n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a8s s VAL 117 N 1.16 5.31 -0.15 0.00 0.11 0.06 0.14 120.40 127.02 3a8s s VAL 117 Ca 0.02 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 3a8s s VAL 117 Cb -0.14 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 3a8s s VAL 117 CO -0.02 0.38 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.31 3a8s s VAL 118 N 0.54 2.95 -0.02 2.04 1.01 0.38 -2.27 120.40 125.01 3a8s s VAL 118 Ca 0.16 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3a8s s VAL 118 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3a8s s VAL 118 CO 0.04 0.51 -0.26 -0.94 0.00 0.00 0.00 175.10 174.45 3a8s s SER 119 N 0.69 3.07 -0.12 3.32 1.04 -0.75 0.56 113.70 121.51 3a8s s SER 119 Ca -0.06 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3a8s s SER 119 Cb -0.15 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 3a8s s SER 119 CO 0.02 0.32 -0.18 -0.13 0.98 0.00 0.00 173.24 174.25 3a8s s ARG 120 N -0.60 3.24 -0.04 4.02 0.52 -0.11 -1.38 118.95 124.60 3a8s s ARG 120 Ca 0.10 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 3a8s s ARG 120 Cb -0.10 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.89 3a8s s ARG 120 CO -0.01 0.19 -0.10 0.42 0.02 0.00 0.00 175.30 175.83 3a8s s ILE 121 N 0.36 0.87 -0.19 1.52 1.01 0.47 -1.63 121.20 123.61 3a8s s ILE 121 Ca -0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 3a8s s ILE 121 Cb -0.17 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3a8s s ILE 121 CO 0.07 0.28 0.02 -0.89 0.00 0.00 0.00 174.94 174.42 3a8s s THR 122 N 0.43 4.22 -0.07 2.92 2.01 -1.01 0.29 115.64 124.43 3a8s s THR 122 Ca -0.08 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3a8s s THR 122 Cb -0.12 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.51 3a8s s THR 122 CO 0.01 0.44 -0.10 0.54 -0.69 0.00 0.00 174.62 174.83 3a8s s VAL 123 N 0.78 0.98 -0.16 3.82 0.11 -1.03 -1.15 120.40 123.75 3a8s s VAL 123 Ca 0.01 -0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 58.63 3a8s s VAL 123 Cb -0.14 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3a8s s VAL 123 CO 0.02 0.33 0.10 0.20 -3.33 0.00 0.00 175.10 172.42 3a8s s ASN 124 N 0.96 6.01 -0.50 3.54 0.02 0.10 -1.71 114.94 123.35 3a8s s ASN 124 Ca -0.09 0.25 0.03 0.00 -1.02 0.00 0.00 52.86 52.03 3a8s s ASN 124 Cb -0.15 -1.99 0.14 0.00 0.02 0.00 0.00 41.25 39.27 3a8s s ASN 124 CO 0.00 0.27 0.27 0.00 0.02 0.00 0.00 177.10 177.66 3a8s s ASP 126 N -0.13 5.25 -1.01 0.00 1.01 -0.84 -0.40 116.67 120.55 3a8s s ASP 126 Ca 0.18 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.31 3a8s s ASP 126 Cb -0.23 -1.32 0.00 0.00 1.01 0.00 0.00 42.92 42.38 3a8s s ASP 126 CO -0.01 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3a8s n GLY 127 N 0.32 0.51 3.78 0.21 0.00 -1.26 -1.88 105.19 106.87 3a8s n GLY 127 Ca -0.09 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3a8s n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a8s s PHE 128 N -2.47 3.52 -0.27 1.61 0.08 -1.26 -2.29 117.98 116.90 3a8s s PHE 128 Ca 0.00 1.72 -0.29 0.00 0.12 0.00 0.00 56.93 58.49 3a8s s PHE 128 Cb 0.00 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 3a8s s PHE 128 CO 0.00 -0.13 1.03 -0.65 -0.10 0.00 0.00 175.22 175.37 3a8s s GLN 129 N -2.25 4.17 0.64 0.44 -1.52 -1.26 -4.79 119.66 115.09 3a8s s GLN 129 Ca 0.53 1.20 0.36 0.00 -1.95 0.00 0.00 55.36 55.50 3a8s s GLN 129 Cb -0.20 -3.68 2.01 0.00 -0.22 0.00 0.00 33.01 30.93 3a8s s GLN 129 CO 0.25 -0.73 2.21 -1.35 -0.25 0.00 0.00 175.29 175.43 3a8s h PRO 130 N 7.73 0.00 -0.07 2.91 0.11 -1.95 -0.68 132.00 140.06 3a8s h PRO 130 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3a8s h PRO 130 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3a8s h PRO 130 CO 0.99 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 3a8s n ASP 131 N -3.35 2.19 -4.80 -2.05 8.00 -1.26 -4.49 116.55 110.79 3a8s n ASP 131 Ca -0.02 -1.59 -0.31 0.00 0.71 0.00 0.00 54.79 53.58 3a8s n ASP 131 Cb 0.19 -0.04 0.06 0.00 -0.02 0.00 0.00 41.12 41.31 3a8s n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a8s s GLY 132 N -1.04 1.72 0.27 0.44 0.00 -0.26 -4.84 107.32 103.61 3a8s s GLY 132 Ca 0.16 0.17 0.19 0.00 0.00 0.00 0.00 44.72 45.24 3a8s s GLY 132 CO 0.16 0.49 1.57 -1.55 0.00 0.00 0.00 173.10 173.78 3a8s n PRO 133 N -3.14 0.12 0.01 2.90 -0.04 -1.26 -1.48 135.00 132.11 3a8s n PRO 133 Ca 0.08 0.61 -0.02 0.00 -0.04 0.00 0.00 63.50 64.13 3a8s n PRO 133 Cb 0.53 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 3a8s n PRO 133 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3a8s h ILE 134 N 0.00 0.00 0.00 0.52 2.04 -1.91 0.65 117.51 118.82 3a8s h ILE 134 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3a8s h ILE 134 Cb 0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3a8s h ILE 134 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 178.15 178.39 3a8s h MET 135 N -0.96 0.00 -0.55 2.37 2.86 -1.60 -2.04 114.93 115.01 3a8s h MET 135 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3a8s h MET 135 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3a8s h MET 135 CO 0.02 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.53 3a8s n ARG 136 N -2.48 2.66 -3.70 1.72 5.12 -0.55 -4.83 116.66 114.61 3a8s n ARG 136 Ca 0.00 -2.39 -0.32 0.00 -1.93 0.00 0.00 57.85 53.21 3a8s n ARG 136 Cb 0.17 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 30.05 3a8s n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3a8s n ASP 137 N 1.27 -5.30 -0.12 0.55 4.64 -0.82 -4.90 116.55 111.87 3a8s n ASP 137 Ca 0.19 -1.02 0.07 0.00 -1.38 0.00 0.00 54.79 52.65 3a8s n ASP 137 Cb 0.55 -3.25 0.11 0.00 -1.04 0.00 0.00 41.12 37.49 3a8s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3a8s n GLN 138 N -4.19 1.91 -3.51 -0.67 6.02 0.23 -4.99 117.38 112.18 3a8s n GLN 138 Ca -0.09 -2.28 -0.37 0.00 -0.01 0.00 0.00 57.00 54.25 3a8s n GLN 138 Cb 0.59 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.40 3a8s n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3a8s s LEU 139 N -2.30 4.28 -0.08 1.08 1.43 -1.22 -1.68 118.68 120.19 3a8s s LEU 139 Ca 0.24 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3a8s s LEU 139 Cb 0.20 -2.43 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 3a8s s LEU 139 CO 0.03 0.12 0.02 0.52 0.23 0.00 0.00 176.35 177.27 3a8s n VAL 140 N 3.35 0.57 -4.21 -1.59 0.31 -0.06 -4.93 118.33 111.77 3a8s n VAL 140 Ca -0.12 -0.34 -0.19 0.00 -0.01 0.00 0.00 64.34 63.68 3a8s n VAL 140 Cb 0.52 -0.79 -0.12 0.00 -0.91 0.00 0.00 33.84 32.55 3a8s n VAL 140 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3a8s s ASP 141 N -4.10 1.90 -0.30 4.52 1.01 -1.21 -4.96 116.67 113.53 3a8s s ASP 141 Ca -0.05 -0.68 -0.03 0.00 0.71 0.00 0.00 52.55 52.50 3a8s s ASP 141 Cb 0.03 -0.07 0.04 0.00 1.01 0.00 0.00 42.92 43.93 3a8s s ASP 141 CO 0.33 -0.08 0.01 -0.63 0.21 0.00 0.00 175.17 175.01 3a8s s ILE 142 N -1.51 3.14 0.15 0.77 1.01 -1.26 -2.49 121.20 121.00 3a8s s ILE 142 Ca 0.02 -1.24 -0.31 0.00 0.00 0.00 0.00 60.65 59.13 3a8s s ILE 142 Cb -0.08 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 3a8s s ILE 142 CO 0.03 -0.05 1.35 -0.76 0.00 0.00 0.00 174.94 175.51 3a8s s LEU 143 N 1.30 4.39 0.38 2.97 1.02 0.12 -4.70 118.68 124.16 3a8s s LEU 143 Ca -0.03 2.36 -0.28 0.00 0.02 0.00 0.00 54.13 56.20 3a8s s LEU 143 Cb -0.19 -3.60 -0.11 0.00 0.02 0.00 0.00 46.19 42.32 3a8s s LEU 143 CO -0.01 -0.59 1.47 -2.84 0.02 0.00 0.00 176.35 174.40 3a8s s PRO 144 N 0.50 4.09 0.10 1.29 0.02 -1.26 -4.52 135.00 135.22 3a8s s PRO 144 Ca 0.61 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 64.14 3a8s s PRO 144 Cb -0.37 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 3a8s s PRO 144 CO 0.34 -0.54 0.05 0.54 -0.33 0.00 0.00 177.00 177.06 3a8s s ASN 145 N -0.20 0.35 -0.70 2.53 4.22 -1.17 -5.00 114.94 114.98 3a8s s ASN 145 Ca 0.53 -1.06 -0.14 0.00 -2.14 0.00 0.00 52.86 50.05 3a8s s ASN 145 Cb -0.46 0.27 0.18 0.00 1.28 0.00 0.00 41.25 42.52 3a8s s ASN 145 CO 0.62 -0.69 0.63 -1.61 -2.04 0.00 0.00 177.10 174.01 3a8s s GLU 146 N -3.98 3.27 0.67 3.55 0.41 -1.26 -1.86 118.70 119.50 3a8s s GLU 146 Ca 0.15 -2.16 -0.17 0.00 -0.41 0.00 0.00 54.97 52.38 3a8s s GLU 146 Cb 0.07 -4.32 -0.00 0.00 -1.78 0.00 0.00 34.13 28.10 3a8s s GLU 146 CO -0.04 -1.29 1.19 2.41 -0.49 0.00 0.00 175.26 177.03 3a8s n THR 147 N 4.46 4.14 -3.89 3.63 -1.04 -0.52 -4.78 114.28 116.28 3a8s n THR 147 Ca 0.02 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.05 61.23 3a8s n THR 147 Cb 0.44 -1.35 -0.14 0.00 -1.82 0.00 0.00 70.33 67.46 3a8s n THR 147 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3a8s s HIS 148 N -1.56 3.10 -0.23 -1.42 3.76 0.27 -1.95 115.29 117.27 3a8s s HIS 148 Ca 0.79 -1.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.24 3a8s s HIS 148 Cb -0.37 -2.13 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 3a8s s HIS 148 CO 0.44 -0.68 0.13 -1.64 -0.85 0.00 0.00 174.74 172.14 3a8s s MET 149 N 1.38 4.03 -0.01 1.40 -1.94 0.29 -1.39 119.30 123.06 3a8s s MET 149 Ca 0.01 -0.29 0.05 0.00 -1.71 0.00 0.00 55.69 53.74 3a8s s MET 149 Cb -0.17 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 33.20 3a8s s MET 149 CO -0.02 0.10 -0.15 -0.06 -0.01 0.00 0.00 175.02 174.87 3a8s s PHE 150 N 0.93 1.39 0.98 -0.03 0.08 0.04 -1.07 117.98 120.32 3a8s s PHE 150 Ca 0.07 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.69 3a8s s PHE 150 Cb -0.13 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3a8s s PHE 150 CO 0.03 -0.03 -0.05 -2.30 -0.10 0.00 0.00 175.22 172.77 3a8s n PRO 151 N 2.73 -0.34 -3.14 0.24 -0.02 -1.26 -0.38 135.00 132.84 3a8s n PRO 151 Ca -0.15 -0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.31 3a8s n PRO 151 Cb 0.55 -1.57 -0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3a8s n PRO 151 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3a8s s HIS 152 N -2.25 -1.02 0.33 6.00 2.46 -1.14 -4.37 115.29 115.30 3a8s s HIS 152 Ca 0.51 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.61 3a8s s HIS 152 Cb -0.18 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 3a8s s HIS 152 CO 0.71 -0.60 0.00 0.41 -2.47 0.00 0.00 174.74 172.79 3a8s n GLY 153 N 5.14 -1.90 0.24 1.59 0.00 -1.26 -1.07 105.19 107.93 3a8s n GLY 153 Ca 0.08 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 45.00 3a8s n GLY 153 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a8s h PRO 154 N 0.00 0.00 0.00 1.61 0.11 -2.01 -3.33 132.00 128.38 3a8s h PRO 154 Ca 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3a8s h PRO 154 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3a8s h PRO 154 CO 0.01 0.11 0.00 0.27 -0.21 0.00 0.00 178.00 178.18 3a8s n ASN 155 N -4.41 0.00 -4.90 -2.05 0.23 -1.26 -4.69 115.26 98.18 3a8s n ASN 155 Ca -0.03 -0.45 -0.20 0.00 -0.53 0.00 0.00 54.58 53.37 3a8s n ASN 155 Cb 0.18 0.90 -0.02 0.00 -2.08 0.00 0.00 39.78 38.75 3a8s n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a8s s ALA 156 N -0.90 4.16 -0.11 -2.53 0.00 -0.23 -2.95 121.76 119.19 3a8s s ALA 156 Ca 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 3a8s s ALA 156 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 22.03 3a8s s ALA 156 CO 0.00 -0.24 0.26 0.08 0.00 0.00 0.00 175.76 175.86 3a8s s VAL 157 N -2.45 -0.03 -0.12 0.00 1.01 -0.88 -2.89 120.40 115.04 3a8s s VAL 157 Ca 0.49 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 3a8s s VAL 157 Cb -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3a8s s VAL 157 CO 0.29 0.05 0.09 -0.60 0.00 0.00 0.00 175.10 174.93 3a8s s ARG 158 N 1.15 3.40 -0.23 2.72 3.52 0.49 -1.33 118.95 128.66 3a8s s ARG 158 Ca -0.08 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3a8s s ARG 158 Cb -0.09 -3.08 0.06 0.00 -1.56 0.00 0.00 34.95 30.28 3a8s s ARG 158 CO -0.08 0.67 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.87 3a8s s GLN 159 N -0.74 1.75 -0.06 5.12 0.74 0.85 -0.78 119.66 126.54 3a8s s GLN 159 Ca 0.13 -0.98 -0.01 0.00 0.05 0.00 0.00 55.36 54.55 3a8s s GLN 159 Cb -0.12 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 3a8s s GLN 159 CO 0.03 -0.56 0.02 -0.51 -0.55 0.00 0.00 175.29 173.72 3a8s s LEU 160 N 1.38 3.64 0.06 3.68 1.43 -0.49 -0.86 118.68 127.52 3a8s s LEU 160 Ca -0.05 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 3a8s s LEU 160 Cb -0.18 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.14 3a8s s LEU 160 CO -0.06 0.35 0.35 0.00 0.23 0.00 0.00 176.35 177.21 3a8s s ALA 161 N -0.97 -0.80 -0.36 4.21 0.00 -0.56 -0.56 121.76 122.71 3a8s s ALA 161 Ca 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3a8s s ALA 161 Cb -0.11 0.40 0.08 0.00 0.00 0.00 0.00 23.12 23.48 3a8s s ALA 161 CO 0.05 -0.47 0.13 -0.06 0.00 0.00 0.00 175.76 175.41 3a8s s PHE 162 N -2.80 3.44 -0.28 0.00 0.08 -1.26 -0.99 117.98 116.17 3a8s s PHE 162 Ca -0.03 -2.10 -0.15 0.00 0.12 0.00 0.00 56.93 54.77 3a8s s PHE 162 Cb -0.00 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 3a8s s PHE 162 CO -0.05 -0.89 0.40 0.42 -0.10 0.00 0.00 175.22 175.00 3a8s s ILE 163 N 1.22 5.15 -0.07 0.64 1.01 -0.63 -4.78 121.20 123.73 3a8s s ILE 163 Ca 0.03 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.22 3a8s s ILE 163 Cb -0.21 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3a8s s ILE 163 CO -0.02 0.09 -0.11 -0.83 0.00 0.00 0.00 174.94 174.07 3a8s s GLY 164 N 1.65 1.60 -0.11 6.18 0.00 -1.26 0.97 107.32 116.34 3a8s s GLY 164 Ca 0.15 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.98 3a8s s GLY 164 CO 0.10 -0.62 -0.21 -1.36 0.00 0.00 0.00 173.10 171.02 3a8s s PHE 165 N -0.55 2.40 0.16 1.90 0.08 0.84 0.10 117.98 122.91 3a8s s PHE 165 Ca 0.08 -1.09 -0.30 0.00 0.12 0.00 0.00 56.93 55.74 3a8s s PHE 165 Cb -0.12 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.62 3a8s s PHE 165 CO 0.02 -0.49 1.23 0.95 -0.10 0.00 0.00 175.22 176.83 3a8s s THR 166 N 0.65 3.59 0.27 0.64 -4.23 -1.04 0.40 115.64 115.92 3a8s s THR 166 Ca -0.12 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.64 3a8s s THR 166 Cb -0.16 -3.81 0.06 0.00 1.34 0.00 0.00 72.50 69.92 3a8s s THR 166 CO 0.03 0.17 0.37 0.35 -0.54 0.00 0.00 174.62 175.00 3a8s n THR 167 N 2.93 0.00 0.05 3.99 -2.24 -0.67 -0.88 114.28 117.45 3a8s n THR 167 Ca 0.06 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3a8s n THR 167 Cb 0.44 -1.44 0.05 0.00 -2.10 0.00 0.00 70.33 67.29 3a8s n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a8s h ALA 168 N -1.01 0.66 -0.10 6.98 0.00 -1.65 -3.02 119.26 121.11 3a8s h ALA 168 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3a8s h ALA 168 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a8s h ALA 168 CO 0.11 0.74 0.00 -0.25 0.00 0.00 0.00 179.25 179.86 3a8s n ASP 169 N -3.86 1.76 -1.43 0.00 8.00 -1.26 -4.78 116.55 114.97 3a8s n ASP 169 Ca -0.04 -2.15 -0.16 0.00 0.71 0.00 0.00 54.79 53.15 3a8s n ASP 169 Cb 0.67 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3a8s n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a8s n GLY 170 N 0.16 0.92 0.00 0.44 0.00 -1.14 -5.01 105.19 100.56 3a8s n GLY 170 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3a8s n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a8s n GLY 171 N -1.02 -0.27 3.13 -0.02 0.00 -1.26 -4.79 105.19 100.95 3a8s n GLY 171 Ca -0.17 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 3a8s n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a8s s LEU 172 N 0.00 -0.35 -0.28 0.99 2.96 -1.26 -1.67 118.68 119.07 3a8s s LEU 172 Ca 0.00 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.57 3a8s s LEU 172 Cb 0.00 0.99 -0.04 0.00 0.50 0.00 0.00 46.19 47.65 3a8s s LEU 172 CO 0.00 -0.23 0.17 -0.32 -1.32 0.00 0.00 176.35 174.65 3a8s s MET 173 N 2.31 3.79 -0.22 1.98 -2.45 0.16 -4.92 119.30 119.95 3a8s s MET 173 Ca -0.02 -0.42 -0.10 0.00 -1.25 0.00 0.00 55.69 53.90 3a8s s MET 173 Cb -0.12 -3.59 -0.05 0.00 1.25 0.00 0.00 34.83 32.32 3a8s s MET 173 CO -0.10 -0.23 0.15 -1.64 1.05 0.00 0.00 175.02 174.25 3a8s s MET 174 N 1.71 4.13 -0.15 4.11 -1.94 -1.26 -0.11 119.30 125.79 3a8s s MET 174 Ca 0.07 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.77 3a8s s MET 174 Cb -0.16 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 3a8s s MET 174 CO 0.09 0.17 -0.01 0.20 -0.01 0.00 0.00 175.02 175.46 3a8s s GLY 175 N 0.73 1.79 -0.60 -0.03 0.00 0.27 -1.16 107.32 108.32 3a8s s GLY 175 Ca 0.08 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 3a8s s GLY 175 CO 0.02 -0.15 0.75 0.30 0.00 0.00 0.00 173.10 174.02 3a8s s HIS 176 N 0.10 2.94 -0.04 1.90 3.76 0.22 -1.61 115.29 122.57 3a8s s HIS 176 Ca 0.01 -0.89 -0.24 0.00 -0.15 0.00 0.00 55.06 53.78 3a8s s HIS 176 Cb -0.13 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.46 3a8s s HIS 176 CO 0.02 -1.36 0.74 0.12 -0.85 0.00 0.00 174.74 173.42 3a8s s PHE 177 N 2.92 3.62 -0.23 1.40 5.36 -0.16 -1.96 117.98 128.93 3a8s s PHE 177 Ca 0.13 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.41 3a8s s PHE 177 Cb -0.23 -2.84 0.11 0.00 -0.34 0.00 0.00 43.02 39.72 3a8s s PHE 177 CO 0.07 0.12 0.27 0.34 -1.46 0.00 0.00 175.22 174.55 3a8s s ASP 178 N 0.65 1.28 -0.07 6.13 -1.08 0.12 -1.50 116.67 122.18 3a8s s ASP 178 Ca 0.39 -0.28 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 3a8s s ASP 178 Cb -0.19 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 41.82 3a8s s ASP 178 CO 0.20 -0.34 -0.10 -0.55 0.52 0.00 0.00 175.17 174.90 3a8s s SER 179 N 2.37 1.77 -0.21 -0.34 0.15 -0.04 0.57 113.70 117.96 3a8s s SER 179 Ca 0.09 -0.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.38 3a8s s SER 179 Cb -0.15 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 3a8s s SER 179 CO -0.18 -0.02 0.08 -0.75 1.20 0.00 0.00 173.24 173.57 3a8s s LYS 180 N 0.96 3.86 -0.36 5.44 2.20 0.11 -0.10 119.74 131.84 3a8s s LYS 180 Ca -0.09 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 3a8s s LYS 180 Cb -0.15 -3.29 0.06 0.00 -1.51 0.00 0.00 37.83 32.94 3a8s s LYS 180 CO 0.00 0.07 0.14 -1.64 -0.36 0.00 0.00 175.35 173.56 3a8s s MET 181 N 0.95 2.53 -0.18 4.03 -1.94 -0.44 -0.78 119.30 123.46 3a8s s MET 181 Ca 0.04 -1.32 -0.08 0.00 -1.71 0.00 0.00 55.69 52.62 3a8s s MET 181 Cb -0.14 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.15 3a8s s MET 181 CO 0.03 -0.77 0.09 0.99 -0.01 0.00 0.00 175.02 175.35 3a8s s THR 182 N 1.36 5.02 0.03 2.05 2.01 0.12 -2.06 115.64 124.17 3a8s s THR 182 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 3a8s s THR 182 Cb -0.21 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 3a8s s THR 182 CO 0.01 0.47 1.17 0.12 -0.69 0.00 0.00 174.62 175.70 3a8s s PHE 183 N 0.23 3.43 0.06 4.92 2.19 -1.15 0.81 117.98 128.47 3a8s s PHE 183 Ca 0.06 1.34 -0.17 0.00 0.33 0.00 0.00 56.93 58.49 3a8s s PHE 183 Cb -0.12 -3.38 -0.15 0.00 -1.31 0.00 0.00 43.02 38.07 3a8s s PHE 183 CO -0.00 -1.10 1.30 -0.91 1.83 0.00 0.00 175.22 176.34 3a8s h ASN 184 N 6.91 0.65 -2.70 6.13 2.35 -1.64 -3.46 115.58 123.82 3a8s h ASN 184 Ca -0.40 -0.57 -0.52 0.00 -0.55 0.00 0.00 56.30 54.25 3a8s h ASN 184 Cb 1.21 -0.19 0.23 0.00 0.05 0.00 0.00 38.32 39.62 3a8s h ASN 184 CO 0.81 1.11 -1.14 0.61 -1.65 0.00 0.00 177.43 177.17 3a8s n GLY 185 N 0.49 -2.81 2.60 2.83 0.00 -1.26 -4.94 105.19 102.10 3a8s n GLY 185 Ca -0.07 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3a8s n GLY 185 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a8s n SER 186 N 0.13 3.92 -3.46 1.61 2.88 -1.26 -5.03 113.62 112.41 3a8s n SER 186 Ca 0.03 -3.39 -0.12 0.00 -1.33 0.00 0.00 58.87 54.06 3a8s n SER 186 Cb 0.57 -0.77 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 3a8s n SER 186 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3a8s s ARG 187 N -2.27 1.11 -0.21 -1.46 3.00 -1.26 -5.13 118.95 112.74 3a8s s ARG 187 Ca 0.36 -0.28 -0.29 0.00 -1.00 0.00 0.00 55.73 54.52 3a8s s ARG 187 Cb 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 34.95 35.53 3a8s s ARG 187 CO -0.04 -0.46 1.67 0.00 0.00 0.00 0.00 175.30 176.48 3a8s s ALA 188 N -3.05 3.26 -0.00 6.12 0.00 -1.26 -5.00 121.76 121.83 3a8s s ALA 188 Ca -0.00 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.56 3a8s s ALA 188 Cb -0.01 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3a8s s ALA 188 CO -0.07 -1.98 -0.23 -1.50 0.00 0.00 0.00 175.76 171.97 3a8s s ILE 189 N 5.34 2.31 -0.22 0.00 2.07 -1.26 -5.10 121.20 124.34 3a8s s ILE 189 Ca 0.74 -1.12 -0.29 0.00 -1.41 0.00 0.00 60.65 58.57 3a8s s ILE 189 Cb -0.26 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.47 3a8s s ILE 189 CO 0.30 0.51 1.14 -0.70 -1.91 0.00 0.00 174.94 174.28 3a8s s GLU 190 N -0.86 4.21 0.24 3.50 2.12 -1.26 -4.90 118.70 121.75 3a8s s GLU 190 Ca 0.11 1.42 -0.28 0.00 0.36 0.00 0.00 54.97 56.59 3a8s s GLU 190 Cb -0.10 -3.71 -0.09 0.00 0.26 0.00 0.00 34.13 30.49 3a8s s GLU 190 CO 0.01 -0.72 0.90 0.42 -0.54 0.00 0.00 175.26 175.33 3a8s s ILE 191 N 3.43 4.18 0.43 -3.70 -1.09 -1.26 -4.82 121.20 118.36 3a8s s ILE 191 Ca 0.49 1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 60.82 3a8s s ILE 191 Cb -0.17 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 3a8s s ILE 191 CO 0.11 0.41 0.66 -2.16 -1.23 0.00 0.00 174.94 172.73 3a8s s PRO 192 N -1.41 3.29 0.72 2.79 0.04 -1.26 -5.04 135.00 134.12 3a8s s PRO 192 Ca 0.42 -0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.06 3a8s s PRO 192 Cb -0.23 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.78 3a8s s PRO 192 CO 0.29 -0.13 1.09 0.20 0.04 0.00 0.00 177.00 178.48 3a8s s GLY 193 N -4.14 1.63 -0.10 0.56 0.00 -1.26 -4.01 107.32 100.00 3a8s s GLY 193 Ca 0.45 -0.26 -0.38 0.00 0.00 0.00 0.00 44.72 44.53 3a8s s GLY 193 CO 0.39 0.11 1.56 -1.05 0.00 0.00 0.00 173.10 174.10 3a8s n PRO 194 N -3.09 1.21 -2.28 2.90 -0.02 -1.26 -4.78 135.00 127.67 3a8s n PRO 194 Ca 0.07 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 61.94 3a8s n PRO 194 Cb 0.56 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3a8s n PRO 194 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3a8s n HIS 195 N 4.07 -0.93 -4.29 6.00 1.44 -0.23 -4.85 115.22 116.43 3a8s n HIS 195 Ca 0.22 -0.76 -0.16 0.00 -2.01 0.00 0.00 57.72 55.02 3a8s n HIS 195 Cb 0.17 0.21 -0.10 0.00 0.12 0.00 0.00 29.99 30.39 3a8s n HIS 195 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3a8s s PHE 196 N -4.84 1.43 -0.13 -1.40 0.08 -0.81 0.10 117.98 112.41 3a8s s PHE 196 Ca 0.09 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.27 3a8s s PHE 196 Cb -0.01 -0.78 0.05 0.00 -0.57 0.00 0.00 43.02 41.72 3a8s s PHE 196 CO 0.06 0.04 0.10 0.54 -0.10 0.00 0.00 175.22 175.86 3a8s s VAL 197 N -3.35 -0.13 0.07 -0.44 0.11 -0.82 -1.12 120.40 114.71 3a8s s VAL 197 Ca 0.23 0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 59.03 3a8s s VAL 197 Cb 0.04 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 3a8s s VAL 197 CO 0.05 -0.10 1.22 -0.89 -3.33 0.00 0.00 175.10 172.04 3a8s s THR 198 N 2.18 3.94 -0.25 5.04 2.01 -0.40 -1.43 115.64 126.72 3a8s s THR 198 Ca 0.03 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3a8s s THR 198 Cb -0.14 -3.90 0.07 0.00 0.01 0.00 0.00 72.50 68.54 3a8s s THR 198 CO -0.07 0.11 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.32 3a8s s ILE 199 N 1.05 1.50 -0.33 1.82 1.01 -0.78 -2.40 121.20 123.07 3a8s s ILE 199 Ca 0.59 -1.34 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3a8s s ILE 199 Cb -0.30 -1.85 0.04 0.00 0.01 0.00 0.00 42.46 40.36 3a8s s ILE 199 CO 0.29 -0.23 0.08 -0.63 0.00 0.00 0.00 174.94 174.46 3a8s s ILE 200 N 1.38 3.58 0.43 2.92 1.01 -0.47 -3.01 121.20 127.05 3a8s s ILE 200 Ca -0.02 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 59.48 3a8s s ILE 200 Cb -0.19 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3a8s s ILE 200 CO -0.09 -0.18 0.10 0.42 0.00 0.00 0.00 174.94 175.20 3a8s s THR 201 N 1.36 1.99 -0.30 2.92 -4.23 -1.26 -0.85 115.64 115.27 3a8s s THR 201 Ca -0.02 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 3a8s s THR 201 Cb -0.20 -2.84 0.17 0.00 1.34 0.00 0.00 72.50 70.98 3a8s s THR 201 CO 0.02 0.00 1.07 -0.75 -0.54 0.00 0.00 174.62 174.41 3a8s s LYS 202 N -3.84 0.23 0.47 3.99 2.20 -0.12 -4.78 119.74 117.89 3a8s s LYS 202 Ca 0.33 0.56 0.08 0.00 -0.36 0.00 0.00 55.97 56.58 3a8s s LYS 202 Cb 0.06 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 3a8s s LYS 202 CO 0.18 -0.08 0.48 1.14 -0.36 0.00 0.00 175.35 176.71 3a8s s GLN 203 N 2.31 2.46 -0.28 4.03 -2.07 -1.26 -0.54 119.66 124.31 3a8s s GLN 203 Ca -0.02 -1.64 -0.25 0.00 -1.82 0.00 0.00 55.36 51.64 3a8s s GLN 203 Cb -0.05 -2.40 0.11 0.00 -1.09 0.00 0.00 33.01 29.58 3a8s s GLN 203 CO -0.17 -0.42 0.93 1.41 -1.32 0.00 0.00 175.29 175.72 3a8s s MET 204 N -4.28 0.61 0.20 9.60 1.75 0.21 -4.93 119.30 122.45 3a8s s MET 204 Ca 0.48 0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 55.35 3a8s s MET 204 Cb -0.04 0.29 -0.09 0.00 2.84 0.00 0.00 34.83 37.83 3a8s s MET 204 CO 0.29 -0.07 1.30 1.03 -0.65 0.00 0.00 175.02 176.91 3a8s s ARG 205 N 0.32 4.40 -0.06 4.11 1.81 -1.26 -0.44 118.95 127.83 3a8s s ARG 205 Ca 0.02 2.04 -0.09 0.00 -1.72 0.00 0.00 55.73 55.97 3a8s s ARG 205 Cb -0.05 -3.20 -0.05 0.00 -0.45 0.00 0.00 34.95 31.20 3a8s s ARG 205 CO -0.04 -0.24 0.40 0.22 -0.68 0.00 0.00 175.30 174.96 3a8s h ASP 206 N 5.35 -0.28 0.00 0.23 3.58 -1.89 -3.47 116.42 119.94 3a8s h ASP 206 Ca -0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3a8s h ASP 206 Cb 1.21 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3a8s h ASP 206 CO 0.77 0.15 0.00 0.35 -2.88 0.00 0.00 179.24 177.63 3a8s n THR 207 N -4.89 0.00 -0.07 2.25 -2.24 -1.26 -4.85 114.28 103.22 3a8s n THR 207 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3a8s n THR 207 Cb 0.13 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 3a8s n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3a8s h SER 208 N 0.00 0.00 -3.37 3.42 0.02 -1.94 -3.47 113.55 108.21 3a8s h SER 208 Ca 0.00 -0.37 -0.52 0.00 -0.84 0.00 0.00 61.79 60.06 3a8s h SER 208 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 3a8s h SER 208 CO 0.00 0.92 0.61 -1.81 -1.14 0.00 0.00 176.83 175.41 3a8s s ASP 209 N -6.07 6.99 0.00 3.07 1.11 -1.26 -4.86 116.67 115.65 3a8s s ASP 209 Ca -0.15 2.28 0.05 0.00 0.18 0.00 0.00 52.55 54.91 3a8s s ASP 209 Cb 0.01 -2.60 0.25 0.00 1.07 0.00 0.00 42.92 41.64 3a8s s ASP 209 CO 0.36 -0.47 1.06 1.17 1.18 0.00 0.00 175.17 178.48 3a8s n LYS 210 N 2.85 0.05 -4.07 8.23 4.81 -1.26 -4.71 118.16 124.06 3a8s n LYS 210 Ca 0.06 0.30 -0.25 0.00 -0.87 0.00 0.00 58.31 57.55 3a8s n LYS 210 Cb 0.44 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.94 3a8s n LYS 210 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3a8s s ARG 211 N -2.73 2.97 -1.02 1.64 1.70 -1.26 -5.01 118.95 115.24 3a8s s ARG 211 Ca 0.04 -0.88 -0.24 0.00 -0.47 0.00 0.00 55.73 54.18 3a8s s ARG 211 Cb 0.03 -2.67 -0.10 0.00 -0.57 0.00 0.00 34.95 31.65 3a8s s ARG 211 CO 0.08 0.47 2.02 0.34 -1.08 0.00 0.00 175.30 177.14 3a8s s ASP 212 N -3.30 4.70 -0.16 -2.89 -1.08 -1.26 -4.90 116.67 107.79 3a8s s ASP 212 Ca 0.32 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 3a8s s ASP 212 Cb -0.10 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.79 3a8s s ASP 212 CO 0.24 -3.30 -0.15 -2.28 0.52 0.00 0.00 175.17 170.21 3a8s s HIS 213 N 12.01 2.79 -0.05 -5.34 5.65 -1.26 -2.00 115.29 127.08 3a8s s HIS 213 Ca 0.74 -1.04 0.04 0.00 0.25 0.00 0.00 55.06 55.05 3a8s s HIS 213 Cb -0.05 -1.90 -0.00 0.00 -1.18 0.00 0.00 32.58 29.45 3a8s s HIS 213 CO 0.08 -0.48 -0.18 0.08 -0.65 0.00 0.00 174.74 173.60 3a8s s VAL 214 N 0.84 1.49 -0.17 0.89 1.01 0.09 -2.63 120.40 121.92 3a8s s VAL 214 Ca -0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3a8s s VAL 214 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3a8s s VAL 214 CO -0.00 0.43 0.06 0.00 0.00 0.00 0.00 175.10 175.59 3a8s s GLN 216 N 0.15 1.30 0.18 0.00 0.74 -0.63 0.65 119.66 122.05 3a8s s GLN 216 Ca 0.05 -0.20 -0.06 0.00 0.05 0.00 0.00 55.36 55.20 3a8s s GLN 216 Cb -0.12 -1.50 -0.06 0.00 1.10 0.00 0.00 33.01 32.43 3a8s s GLN 216 CO 0.00 -0.30 0.44 0.50 -0.55 0.00 0.00 175.29 175.38 3a8s s ARG 217 N 1.76 3.66 -0.16 1.67 3.52 0.30 -1.76 118.95 127.95 3a8s s ARG 217 Ca 0.04 -0.01 -0.08 0.00 -0.13 0.00 0.00 55.73 55.56 3a8s s ARG 217 Cb -0.13 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.54 3a8s s ARG 217 CO -0.08 0.40 0.37 -2.00 -0.81 0.00 0.00 175.30 173.18 3a8s s GLU 218 N -2.84 0.35 -0.14 5.12 2.12 -0.71 -0.95 118.70 121.65 3a8s s GLU 218 Ca 0.43 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3a8s s GLU 218 Cb -0.12 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 3a8s s GLU 218 CO 0.25 -0.16 -0.15 0.54 -0.54 0.00 0.00 175.26 175.20 3a8s s VAL 219 N 1.37 2.83 -0.02 3.70 0.11 -0.02 -1.93 120.40 126.44 3a8s s VAL 219 Ca -0.10 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3a8s s VAL 219 Cb -0.09 -2.18 0.03 0.00 -1.53 0.00 0.00 36.38 32.61 3a8s s VAL 219 CO -0.12 0.52 0.03 0.00 -3.33 0.00 0.00 175.10 172.20 3a8s s ALA 220 N 0.51 0.11 -0.09 1.54 0.00 -0.58 -1.36 121.76 121.89 3a8s s ALA 220 Ca -0.10 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3a8s s ALA 220 Cb -0.16 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3a8s s ALA 220 CO 0.04 -0.11 0.23 1.52 0.00 0.00 0.00 175.76 177.45 3a8s s TYR 221 N 1.08 -0.27 0.49 0.00 -0.85 -1.01 -1.48 117.35 115.30 3a8s s TYR 221 Ca -0.09 0.66 -0.05 0.00 -0.52 0.00 0.00 57.07 57.07 3a8s s TYR 221 Cb -0.13 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3a8s s TYR 221 CO -0.03 -0.15 0.78 0.00 -1.52 0.00 0.00 175.55 174.64 3a8s s ALA 222 N 0.39 3.42 0.22 9.51 0.00 -0.88 -1.28 121.76 133.14 3a8s s ALA 222 Ca -0.02 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 3a8s s ALA 222 Cb -0.04 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.58 3a8s s ALA 222 CO -0.02 -0.39 0.74 -3.38 0.00 0.00 0.00 175.76 172.72 3a8s s HIS 223 N -2.74 -0.26 0.35 0.00 -0.00 -0.28 -4.48 115.29 107.89 3a8s s HIS 223 Ca 0.48 -0.11 0.08 0.00 -0.00 0.00 0.00 55.06 55.51 3a8s s HIS 223 Cb -0.10 0.66 -0.07 0.00 -0.00 0.00 0.00 32.58 33.07 3a8s s HIS 223 CO 0.44 -1.06 -0.06 -1.12 -0.00 0.00 0.00 174.74 172.94 3a8s s SER 224 N -2.87 3.60 -0.10 7.38 0.01 -1.26 -1.93 113.70 118.52 3a8s s SER 224 Ca 0.09 -1.24 -0.03 0.00 1.31 0.00 0.00 55.95 56.07 3a8s s SER 224 Cb -0.04 -0.33 0.05 0.00 0.21 0.00 0.00 66.02 65.91 3a8s s SER 224 CO 0.01 -0.29 0.13 0.54 0.41 0.00 0.00 173.24 174.04 3a8s s VAL 225 N -2.71 -0.19 0.53 3.43 0.11 -1.26 -5.02 120.40 115.28 3a8s s VAL 225 Ca 0.33 0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.40 3a8s s VAL 225 Cb 0.05 -0.35 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 3a8s s VAL 225 CO 0.16 0.04 1.19 -2.16 -3.33 0.00 0.00 175.10 171.00 3a8s s PRO 226 N 2.23 3.37 0.88 1.54 0.04 -1.26 -5.02 135.00 136.79 3a8s s PRO 226 Ca 0.04 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 3a8s s PRO 226 Cb -0.13 -2.17 0.12 0.00 0.04 0.00 0.00 34.50 32.36 3a8s s PRO 226 CO -0.06 -0.88 1.10 1.03 0.04 0.00 0.00 177.00 178.23 3a8s s ARG 227 N -3.03 1.41 -0.18 4.56 0.52 -1.26 -4.98 118.95 115.99 3a8s s ARG 227 Ca 0.70 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 56.31 3a8s s ARG 227 Cb -0.30 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 3a8s s ARG 227 CO 0.34 -2.10 1.18 0.42 0.02 0.00 0.00 175.30 175.15 3a8s s ILE 228 N -3.03 4.43 -2.33 1.52 1.01 -1.26 -5.35 121.20 116.19 3a8s s ILE 228 Ca 0.63 1.73 0.29 0.00 0.00 0.00 0.00 60.65 63.30 3a8s s ILE 228 Cb -0.17 -4.12 0.67 0.00 0.01 0.00 0.00 42.46 38.86 3a8s s ILE 228 CO 0.56 -0.14 1.91 0.35 0.00 0.00 0.00 174.94 177.61