#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8s n LEU 7 N 0.00 4.92 -1.74 0.00 -0.00 -1.26 -4.10 117.00 114.82 3a8s n LEU 7 Ca 0.00 -2.73 -0.13 0.00 -0.00 0.00 0.00 56.01 53.15 3a8s n LEU 7 Cb 0.00 -1.23 0.20 0.00 -0.00 0.00 0.00 43.42 42.40 3a8s n LEU 7 CO 0.00 1.33 1.01 0.49 -0.00 0.00 0.00 177.39 180.22 3a8s n PHE 8 N 2.18 2.15 -0.15 1.47 3.72 -1.26 -4.66 117.46 120.91 3a8s n PHE 8 Ca 0.26 -1.65 -0.04 0.00 -0.05 0.00 0.00 57.45 55.97 3a8s n PHE 8 Cb 0.72 -0.72 0.16 0.00 -0.94 0.00 0.00 39.48 38.69 3a8s n PHE 8 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3a8s h GLN 9 N 1.22 0.88 0.00 -1.08 1.08 -2.04 -3.44 115.11 111.72 3a8s h GLN 9 Ca 0.41 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 57.28 3a8s h GLN 9 Cb 2.29 -0.12 0.03 0.00 -0.05 0.00 0.00 27.48 29.63 3a8s h GLN 9 CO 0.75 0.81 0.06 -1.13 -0.95 0.00 0.00 178.83 178.38 3a8s n SER 10 N -4.25 0.26 -4.86 1.46 3.41 -1.26 -4.81 113.62 103.57 3a8s n SER 10 Ca 0.04 -1.26 -0.31 0.00 -0.26 0.00 0.00 58.87 57.08 3a8s n SER 10 Cb 0.25 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3a8s n SER 10 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3a8s s ASP 11 N -2.25 6.18 0.26 4.04 -0.00 -1.26 -4.43 116.67 119.21 3a8s s ASP 11 Ca 0.20 1.45 0.01 0.00 -0.00 0.00 0.00 52.55 54.21 3a8s s ASP 11 Cb -0.01 -2.47 -0.05 0.00 -0.00 0.00 0.00 42.92 40.39 3a8s s ASP 11 CO 0.14 -0.90 0.09 -0.04 -0.00 0.00 0.00 175.17 174.46 3a8s s MET 12 N -5.11 1.42 0.14 8.23 -1.94 -0.87 -4.94 119.30 116.22 3a8s s MET 12 Ca 0.55 -1.77 0.03 0.00 -1.71 0.00 0.00 55.69 52.80 3a8s s MET 12 Cb -0.11 -0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.39 3a8s s MET 12 CO 0.53 -0.29 -0.08 0.95 -0.01 0.00 0.00 175.02 176.13 3a8s s THR 13 N -3.73 0.98 -0.05 2.05 -4.23 -0.95 -0.87 115.64 108.83 3a8s s THR 13 Ca 0.38 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 3a8s s THR 13 Cb 0.08 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3a8s s THR 13 CO 0.14 -0.73 0.19 0.72 -0.54 0.00 0.00 174.62 174.40 3a8s s PHE 14 N -3.45 -0.15 -0.12 3.99 -0.12 0.29 -0.11 117.98 118.31 3a8s s PHE 14 Ca 0.17 0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.41 3a8s s PHE 14 Cb 0.04 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.47 3a8s s PHE 14 CO -0.00 -0.17 -0.19 0.15 -0.05 0.00 0.00 175.22 174.95 3a8s s LYS 15 N -0.38 3.17 -0.14 1.99 1.02 -0.59 -1.80 119.74 123.01 3a8s s LYS 15 Ca -0.05 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.14 3a8s s LYS 15 Cb -0.03 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3a8s s LYS 15 CO 0.01 0.15 -0.12 0.42 -0.92 0.00 0.00 175.35 174.88 3a8s s ILE 16 N 0.46 3.03 -0.44 2.17 -1.09 0.14 -0.72 121.20 124.74 3a8s s ILE 16 Ca -0.14 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3a8s s ILE 16 Cb -0.17 -2.28 0.12 0.00 -1.58 0.00 0.00 42.46 38.55 3a8s s ILE 16 CO 0.06 0.51 0.17 -0.36 -1.23 0.00 0.00 174.94 174.09 3a8s s PHE 17 N 0.53 3.49 -0.23 3.97 0.08 -0.03 -0.57 117.98 125.23 3a8s s PHE 17 Ca -0.08 -3.03 -0.19 0.00 0.12 0.00 0.00 56.93 53.75 3a8s s PHE 17 Cb -0.16 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 3a8s s PHE 17 CO 0.04 -0.86 0.54 0.42 -0.10 0.00 0.00 175.22 175.26 3a8s s ILE 18 N 0.35 5.07 -0.43 0.64 1.01 0.25 -1.11 121.20 126.99 3a8s s ILE 18 Ca 0.14 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.72 3a8s s ILE 18 Cb -0.22 -3.85 0.12 0.00 0.01 0.00 0.00 42.46 38.51 3a8s s ILE 18 CO -0.04 0.13 0.24 -0.62 0.00 0.00 0.00 174.94 174.64 3a8s s ASP 19 N 1.32 5.27 0.19 3.58 2.15 0.14 -0.18 116.67 129.14 3a8s s ASP 19 Ca 0.24 -2.11 0.01 0.00 0.43 0.00 0.00 52.55 51.11 3a8s s ASP 19 Cb -0.15 -1.84 -0.00 0.00 -0.30 0.00 0.00 42.92 40.62 3a8s s ASP 19 CO 0.09 -0.53 0.03 0.61 -0.17 0.00 0.00 175.17 175.20 3a8s n GLY 20 N 4.49 3.85 3.63 2.66 0.00 -0.06 -2.80 105.19 116.96 3a8s n GLY 20 Ca -0.01 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 3a8s n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8s s GLU 21 N -2.70 0.49 -0.09 1.61 -6.30 -1.00 -1.41 118.70 109.31 3a8s s GLU 21 Ca 0.04 0.54 0.01 0.00 -2.50 0.00 0.00 54.97 53.06 3a8s s GLU 21 Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 34.13 34.39 3a8s s GLU 21 CO 0.03 -0.07 -0.11 0.08 0.02 0.00 0.00 175.26 175.21 3a8s s VAL 22 N 0.11 1.17 -1.04 3.70 1.01 0.22 -1.12 120.40 124.45 3a8s s VAL 22 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3a8s s VAL 22 Cb -0.05 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3a8s s VAL 22 CO -0.06 0.37 0.14 0.59 0.00 0.00 0.00 175.10 176.14 3a8s n ASN 23 N 4.25 -0.33 0.00 3.32 3.02 0.12 0.49 115.26 126.12 3a8s n ASN 23 Ca -0.19 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3a8s n ASN 23 Cb 0.51 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 -2.04 3.17 3.62 7.41 0.00 -1.26 -5.00 105.19 111.10 3a8s n GLY 24 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.39 4.08 0.88 1.61 0.74 0.18 -5.06 119.66 121.70 3a8s s GLN 25 Ca 0.00 0.43 -0.12 0.00 0.05 0.00 0.00 55.36 55.72 3a8s s GLN 25 Cb 0.00 -3.65 0.12 0.00 1.10 0.00 0.00 33.01 30.57 3a8s s GLN 25 CO 0.00 -0.39 1.10 0.15 -0.55 0.00 0.00 175.29 175.60 3a8s s LYS 26 N 2.41 1.41 -0.23 1.67 1.02 -1.26 0.70 119.74 125.46 3a8s s LYS 26 Ca 0.24 0.70 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 3a8s s LYS 26 Cb -0.16 -1.84 0.17 0.00 -0.52 0.00 0.00 37.83 35.48 3a8s s LYS 26 CO 0.09 -2.10 1.21 -0.59 -0.92 0.00 0.00 175.35 173.04 3a8s s PHE 27 N -3.03 -0.17 0.04 3.18 -0.12 -0.50 -4.81 117.98 112.57 3a8s s PHE 27 Ca 0.63 0.29 0.04 0.00 -0.05 0.00 0.00 56.93 57.83 3a8s s PHE 27 Cb -0.17 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 3a8s s PHE 27 CO 0.56 -0.16 -0.11 0.95 -0.05 0.00 0.00 175.22 176.41 3a8s s THR 28 N -1.09 0.84 -0.02 -4.49 -4.23 -1.26 -0.88 115.64 104.51 3a8s s THR 28 Ca 0.05 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3a8s s THR 28 Cb -0.01 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 73.03 3a8s s THR 28 CO -0.04 -0.15 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.21 3a8s s ILE 29 N -1.02 0.40 -0.07 2.99 1.01 0.74 -1.96 121.20 123.30 3a8s s ILE 29 Ca -0.03 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3a8s s ILE 29 Cb -0.08 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 3a8s s ILE 29 CO 0.01 0.14 -0.21 0.68 0.00 0.00 0.00 174.94 175.57 3a8s s VAL 30 N 0.24 1.74 0.13 2.92 -7.23 -0.98 0.86 120.40 118.08 3a8s s VAL 30 Ca -0.02 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3a8s s VAL 30 Cb -0.06 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 3a8s s VAL 30 CO -0.00 0.49 -0.03 0.00 -0.31 0.00 0.00 175.10 175.25 3a8s s ALA 31 N 0.18 1.11 0.13 1.32 0.00 0.27 -1.88 121.76 122.89 3a8s s ALA 31 Ca -0.10 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.25 3a8s s ALA 31 Cb -0.15 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3a8s s ALA 31 CO 0.05 -0.29 0.39 0.16 0.00 0.00 0.00 175.76 176.07 3a8s s ASP 32 N -3.09 -0.19 0.07 0.00 -4.77 -0.73 0.23 116.67 108.19 3a8s s ASP 32 Ca 0.18 -0.41 -0.23 0.00 -3.30 0.00 0.00 52.55 48.79 3a8s s ASP 32 Cb 0.06 0.47 0.08 0.00 -1.09 0.00 0.00 42.92 42.44 3a8s s ASP 32 CO -0.01 -0.87 1.05 0.61 0.70 0.00 0.00 175.17 176.65 3a8s n GLY 33 N -0.22 0.46 3.08 2.12 0.00 -0.75 -0.45 105.19 109.42 3a8s n GLY 33 Ca -0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.40 0.51 -0.16 1.61 1.04 -1.22 -0.55 113.70 111.53 3a8s s SER 34 Ca 0.24 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 3a8s s SER 34 Cb -0.02 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.31 3a8s s SER 34 CO 0.02 -0.52 -0.05 -0.55 0.98 0.00 0.00 173.24 173.12 3a8s s SER 35 N -2.61 2.78 0.27 7.02 0.15 -0.05 -3.85 113.70 117.40 3a8s s SER 35 Ca 0.03 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 3a8s s SER 35 Cb 0.04 -0.90 -0.09 0.00 -1.71 0.00 0.00 66.02 63.35 3a8s s SER 35 CO -0.07 -0.18 1.15 -0.54 1.20 0.00 0.00 173.24 174.79 3a8s s LYS 36 N 1.64 4.57 0.30 5.44 3.01 -1.26 -2.06 119.74 131.38 3a8s s LYS 36 Ca 0.01 1.88 -0.28 0.00 -1.01 0.00 0.00 55.97 56.58 3a8s s LYS 36 Cb -0.15 -3.18 -0.09 0.00 -1.01 0.00 0.00 37.83 33.40 3a8s s LYS 36 CO -0.08 0.10 0.98 0.12 0.51 0.00 0.00 175.35 176.98 3a8s s PHE 37 N -0.98 3.73 -0.08 3.18 2.19 -1.26 -2.21 117.98 122.54 3a8s s PHE 37 Ca 0.46 1.80 -0.23 0.00 0.33 0.00 0.00 56.93 59.29 3a8s s PHE 37 Cb -0.33 -3.01 -0.03 0.00 -1.31 0.00 0.00 43.02 38.33 3a8s s PHE 37 CO 0.42 0.10 0.70 -1.25 1.83 0.00 0.00 175.22 177.03 3a8s s PRO 38 N -1.74 4.42 0.00 10.12 0.04 -1.26 -5.01 135.00 141.56 3a8s s PRO 38 Ca 0.47 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3a8s s PRO 38 Cb -0.23 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.85 3a8s s PRO 38 CO 0.29 0.02 0.00 0.72 0.04 0.00 0.00 177.00 178.07 3a8s n HIS 39 N 3.94 -1.46 0.00 0.56 8.25 -0.94 -4.74 115.22 120.83 3a8s n HIS 39 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3a8s n HIS 39 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 0.78 0.95 3.07 -1.41 0.00 0.16 -4.06 105.19 104.68 3a8s n GLY 40 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.06 -0.88 0.35 1.61 3.68 -1.26 -1.62 116.67 116.49 3a8s s ASP 41 Ca 0.00 0.50 -0.13 0.00 2.13 0.00 0.00 52.55 55.04 3a8s s ASP 41 Cb 0.00 1.80 0.03 0.00 -1.45 0.00 0.00 42.92 43.30 3a8s s ASP 41 CO 0.00 -0.28 0.68 0.72 0.13 0.00 0.00 175.17 176.42 3a8s s PHE 42 N 2.75 0.30 0.03 -5.34 -0.12 -0.99 -4.52 117.98 110.10 3a8s s PHE 42 Ca 0.16 -0.82 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 3a8s s PHE 42 Cb -0.14 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 3a8s s PHE 42 CO -0.21 -1.38 -0.07 -0.80 -0.05 0.00 0.00 175.22 172.71 3a8s s ASN 43 N -3.08 0.82 0.08 1.98 0.01 -1.25 -1.74 114.94 111.77 3a8s s ASN 43 Ca 0.19 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 51.97 3a8s s ASN 43 Cb -0.04 0.01 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 3a8s s ASN 43 CO 0.13 -0.14 -0.21 0.54 -1.51 0.00 0.00 177.10 175.90 3a8s s VAL 44 N -1.09 1.73 -0.20 1.60 0.11 0.15 -3.41 120.40 119.28 3a8s s VAL 44 Ca -0.07 -1.44 0.01 0.00 -2.93 0.00 0.00 61.98 57.55 3a8s s VAL 44 Cb -0.08 -1.55 0.04 0.00 -1.53 0.00 0.00 36.38 33.26 3a8s s VAL 44 CO 0.00 0.04 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.68 3a8s s HIS 45 N -1.04 2.61 0.16 1.54 0.09 0.40 -1.26 115.29 117.78 3a8s s HIS 45 Ca 0.07 -1.70 0.11 0.00 -0.00 0.00 0.00 55.06 53.54 3a8s s HIS 45 Cb -0.10 -1.74 -0.04 0.00 -0.00 0.00 0.00 32.58 30.71 3a8s s HIS 45 CO 0.03 -0.77 -0.25 0.00 -0.00 0.00 0.00 174.74 173.75 3a8s s ALA 46 N 1.33 2.41 -0.03 -1.40 0.00 -0.98 -1.78 121.76 121.31 3a8s s ALA 46 Ca -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 3a8s s ALA 46 Cb -0.16 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3a8s s ALA 46 CO -0.09 0.48 0.10 0.54 0.00 0.00 0.00 175.76 176.79 3a8s s VAL 47 N -1.36 0.02 -0.98 0.00 0.11 -0.79 -1.96 120.40 115.44 3a8s s VAL 47 Ca 0.17 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 3a8s s VAL 47 Cb -0.09 -0.20 0.17 0.00 -1.53 0.00 0.00 36.38 34.73 3a8s s VAL 47 CO 0.08 -0.08 1.11 0.00 -3.33 0.00 0.00 175.10 172.88 3a8s h GLU 49 N 8.05 0.07 -0.00 0.00 5.08 -1.74 1.03 114.58 127.07 3a8s h GLU 49 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3a8s h GLU 49 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3a8s h GLU 49 CO 1.05 0.05 -0.00 0.25 -1.00 0.00 0.00 179.01 179.36 3a8s n THR 50 N -4.28 0.00 0.00 1.13 -2.24 -1.25 -5.00 114.28 102.64 3a8s n THR 50 Ca 0.32 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 3a8s n THR 50 Cb 1.41 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.02 0.16 3.65 3.38 0.00 0.36 -4.97 105.19 108.79 3a8s n GLY 51 Ca 0.23 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 4.21 0.04 1.61 2.36 -1.26 -4.29 119.74 122.40 3a8s s LYS 52 Ca 0.00 0.85 -0.34 0.00 -2.55 0.00 0.00 55.97 53.93 3a8s s LYS 52 Cb 0.00 -3.61 -0.13 0.00 -1.05 0.00 0.00 37.83 33.04 3a8s s LYS 52 CO 0.00 -0.39 1.74 -0.11 1.55 0.00 0.00 175.35 178.13 3a8s n LEU 53 N 5.55 3.30 -1.38 5.43 7.94 -1.26 -4.84 117.00 131.74 3a8s n LEU 53 Ca 0.03 1.02 -0.04 0.00 -1.11 0.00 0.00 56.01 55.91 3a8s n LEU 53 Cb 0.48 -1.40 0.02 0.00 0.53 0.00 0.00 43.42 43.05 3a8s n LEU 53 CO 0.46 -0.16 0.83 -0.81 -1.11 0.00 0.00 177.39 176.60 3a8s n PRO 54 N 5.10 1.20 -3.63 1.96 -0.04 -1.26 -4.77 135.00 133.57 3a8s n PRO 54 Ca 0.20 -0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 63.20 3a8s n PRO 54 Cb 0.29 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.49 0.13 0.44 0.54 0.23 -1.26 -4.93 119.30 113.96 3a8s s MET 55 Ca 0.08 -0.03 -0.22 0.00 -1.03 0.00 0.00 55.69 54.49 3a8s s MET 55 Cb 0.07 0.06 -0.12 0.00 -1.53 0.00 0.00 34.83 33.31 3a8s s MET 55 CO 0.01 -0.05 0.61 0.45 -2.03 0.00 0.00 175.02 174.01 3a8s n SER 56 N 0.11 -0.59 0.13 -1.18 2.88 0.14 -4.89 113.62 110.22 3a8s n SER 56 Ca 0.02 0.91 -0.01 0.00 -1.33 0.00 0.00 58.87 58.46 3a8s n SER 56 Cb 0.57 -1.16 0.12 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.83 0.00 -0.43 0.66 4.06 -1.94 -3.37 115.95 115.76 3a8s h TRP 57 Ca -0.41 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.60 3a8s h TRP 57 Cb 1.39 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.46 3a8s h TRP 57 CO 0.37 0.64 -0.49 0.87 -3.56 0.00 0.00 178.44 176.27 3a8s h LYS 58 N 0.00 -0.33 0.00 0.49 6.56 -1.93 -1.53 116.57 119.82 3a8s h LYS 58 Ca -0.01 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3a8s h LYS 58 Cb 1.25 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 3a8s h LYS 58 CO 0.08 -0.22 0.21 -1.35 -2.06 0.00 0.00 179.45 176.11 3a8s h PRO 59 N -0.35 0.00 -0.48 3.15 0.11 -1.98 0.10 132.00 132.56 3a8s h PRO 59 Ca 0.12 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.05 3a8s h PRO 59 Cb 0.59 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.59 3a8s h PRO 59 CO -0.60 0.00 0.10 0.44 -0.21 0.00 0.00 178.00 177.73 3a8s n ILE 60 N -2.74 2.63 0.10 4.15 -5.35 -0.58 -4.47 119.36 113.11 3a8s n ILE 60 Ca -0.02 -2.21 -0.05 0.00 -0.27 0.00 0.00 62.75 60.20 3a8s n ILE 60 Cb 0.26 -0.33 0.07 0.00 -1.74 0.00 0.00 39.64 37.90 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 -3.71 0.09 0.07 0.00 1.44 -1.26 -3.15 115.22 108.70 3a8s n HIS 62 Ca -0.02 0.03 -0.15 0.00 -2.01 0.00 0.00 57.72 55.57 3a8s n HIS 62 Cb 0.71 -0.50 -0.14 0.00 0.12 0.00 0.00 29.99 30.18 3a8s n HIS 62 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3a8s h LEU 63 N 0.00 0.34 -6.87 2.39 3.38 -1.85 -3.45 115.31 109.25 3a8s h LEU 63 Ca 0.00 -0.43 -0.80 0.00 0.09 0.00 0.00 57.88 56.74 3a8s h LEU 63 Cb 0.53 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 40.88 3a8s h LEU 63 CO 0.00 1.35 0.73 2.30 0.09 0.00 0.00 178.44 182.91 3a8s n ILE 64 N -3.45 5.23 0.00 1.22 -5.35 -1.19 -5.07 119.36 110.76 3a8s n ILE 64 Ca -0.12 -5.92 0.00 0.00 -0.27 0.00 0.00 62.75 56.44 3a8s n ILE 64 Cb 1.03 -2.07 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 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 1.27 0.00 0.15 6.28 4.71 -1.26 -4.95 120.64 126.84 3a8s n GLU 68 Ca 0.26 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.48 3a8s n GLU 68 Cb 0.33 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 30.87 3a8s n GLU 68 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3a8s n PRO 69 N 0.00 0.02 0.00 3.49 -0.02 -1.26 0.64 135.00 137.87 3a8s n PRO 69 Ca 0.00 0.86 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 3a8s n PRO 69 Cb 0.00 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 31.54 3a8s n PRO 69 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3a8s n PHE 70 N -2.48 0.00 -0.46 6.00 1.16 -1.26 -3.11 117.46 117.32 3a8s n PHE 70 Ca 0.06 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.70 3a8s n PHE 70 Cb 1.02 -0.29 0.32 0.00 -1.61 0.00 0.00 39.48 38.92 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 -1.47 1.60 -3.28 2.97 3.72 0.21 -4.76 117.46 116.44 3a8s n PHE 71 Ca 0.06 -0.56 -0.35 0.00 -0.05 0.00 0.00 57.45 56.55 3a8s n PHE 71 Cb 0.34 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.33 3.53 -0.53 4.37 0.00 -1.18 0.40 121.76 126.02 3a8s s ALA 72 Ca 0.43 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 3a8s s ALA 72 Cb 0.32 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.87 3a8s s ALA 72 CO 0.13 0.42 1.01 0.50 0.00 0.00 0.00 175.76 177.82 3a8s s ARG 73 N -2.01 3.45 -0.06 0.00 6.06 -0.06 -4.65 118.95 121.68 3a8s s ARG 73 Ca 0.40 0.03 -0.11 0.00 -2.50 0.00 0.00 55.73 53.55 3a8s s ARG 73 Cb -0.15 -4.00 -0.05 0.00 0.06 0.00 0.00 34.95 30.81 3a8s s ARG 73 CO 0.20 -1.46 0.28 0.71 -2.50 0.00 0.00 175.30 172.53 3a8s s TYR 74 N 4.17 3.66 0.60 5.12 1.51 -1.26 -1.78 117.35 129.37 3a8s s TYR 74 Ca 0.36 0.76 -0.08 0.00 -1.01 0.00 0.00 57.07 57.10 3a8s s TYR 74 Cb -0.10 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 3a8s s TYR 74 CO 0.23 0.68 0.95 -1.25 -1.11 0.00 0.00 175.55 175.05 3a8s s PRO 75 N -1.01 3.23 0.32 -1.71 0.04 -1.26 -5.00 135.00 129.61 3a8s s PRO 75 Ca 0.19 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 3a8s s PRO 75 Cb -0.14 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 3a8s s PRO 75 CO 0.09 -0.62 1.56 -0.51 0.04 0.00 0.00 177.00 177.55 3a8s s ASP 76 N -4.24 6.37 0.00 6.66 1.11 -1.26 -3.17 116.67 122.14 3a8s s ASP 76 Ca 0.54 2.98 0.00 0.00 0.18 0.00 0.00 52.55 56.24 3a8s s ASP 76 Cb -0.11 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.24 3a8s s ASP 76 CO 0.49 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.55 3a8s n GLY 77 N 1.63 2.53 3.67 0.21 0.00 -1.26 -5.06 105.19 106.91 3a8s n GLY 77 Ca 0.06 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3a8s n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a8s s ILE 78 N -0.33 5.03 0.21 -0.61 1.01 -1.19 -5.05 121.20 120.27 3a8s s ILE 78 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3a8s s ILE 78 Cb 0.00 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 3a8s s ILE 78 CO 0.00 0.45 1.30 -0.55 0.00 0.00 0.00 174.94 176.15 3a8s s SER 79 N 0.35 6.90 -1.17 3.58 0.15 -1.26 -4.78 113.70 117.46 3a8s s SER 79 Ca 0.05 2.41 -0.09 0.00 0.70 0.00 0.00 55.95 59.02 3a8s s SER 79 Cb -0.12 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.81 3a8s s SER 79 CO -0.01 -0.52 1.44 1.57 1.20 0.00 0.00 173.24 176.93 3a8s n HIS 80 N 2.53 4.06 -0.31 3.44 -0.00 -1.26 -4.69 115.22 118.98 3a8s n HIS 80 Ca 0.06 -3.24 0.05 0.00 0.46 0.00 0.00 57.72 55.05 3a8s n HIS 80 Cb 0.43 -1.79 0.14 0.00 -0.12 0.00 0.00 29.99 28.65 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 6.33 -0.38 -0.73 1.57 3.57 -1.92 0.78 116.94 126.17 3a8s h PHE 81 Ca 0.27 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.95 3a8s h PHE 81 Cb 0.76 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.73 3a8s h PHE 81 CO 1.01 -0.38 0.34 0.00 -2.23 0.00 0.00 178.31 177.06 3a8s h ALA 82 N 1.89 1.02 0.10 2.41 0.00 -1.90 -1.13 119.26 121.65 3a8s h ALA 82 Ca 0.45 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 3a8s h ALA 82 Cb 0.73 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3a8s h ALA 82 CO -0.89 -0.09 -0.97 1.96 0.00 0.00 0.00 179.25 179.25 3a8s h GLN 83 N 0.56 0.48 -1.28 0.00 4.20 -1.38 -3.17 115.11 114.52 3a8s h GLN 83 Ca 0.37 -0.65 0.37 0.00 0.06 0.00 0.00 58.65 58.80 3a8s h GLN 83 Cb 0.45 0.22 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 3a8s h GLN 83 CO -0.31 1.28 0.90 1.49 -0.67 0.00 0.00 178.83 181.51 3a8s h GLU 84 N -0.01 0.07 0.00 1.46 4.57 -0.28 0.12 114.58 120.51 3a8s h GLU 84 Ca -0.15 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3a8s h GLU 84 Cb 1.70 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3a8s h GLU 84 CO 0.19 0.05 0.00 0.00 -1.18 0.00 0.00 179.01 178.07 3a8s s PHE 86 N -2.56 3.25 -0.82 0.00 0.08 0.03 0.12 117.98 118.08 3a8s s PHE 86 Ca 0.07 -0.04 0.27 0.00 0.12 0.00 0.00 56.93 57.36 3a8s s PHE 86 Cb 0.05 -1.50 0.90 0.00 -0.57 0.00 0.00 43.02 41.90 3a8s s PHE 86 CO 0.12 0.50 1.77 -0.35 -0.10 0.00 0.00 175.22 177.16 3a8s n PRO 87 N -0.93 0.17 0.26 0.24 -0.04 -1.26 -4.77 135.00 128.67 3a8s n PRO 87 Ca -0.08 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 3a8s n PRO 87 Cb 0.56 -1.69 0.68 0.00 -0.04 0.00 0.00 33.50 33.02 3a8s n PRO 87 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3a8s h GLU 88 N 0.00 0.00 0.00 0.54 9.09 -1.92 -3.34 114.58 118.95 3a8s h GLU 88 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3a8s h GLU 88 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3a8s h GLU 88 CO 0.00 0.14 0.00 0.41 0.05 0.00 0.00 179.01 179.61 3a8s n GLY 89 N -0.52 -2.51 3.30 1.06 0.00 0.32 -4.77 105.19 102.07 3a8s n GLY 89 Ca -0.01 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 1.11 0.20 0.99 -0.00 -1.10 -2.22 118.68 117.66 3a8s s LEU 90 Ca 0.00 -0.83 0.10 0.00 -0.00 0.00 0.00 54.13 53.39 3a8s s LEU 90 Cb 0.00 1.11 -0.04 0.00 -0.00 0.00 0.00 46.19 47.26 3a8s s LEU 90 CO 0.00 -0.85 -0.13 -0.94 -0.00 0.00 0.00 176.35 174.43 3a8s s SER 91 N -2.95 4.03 -0.05 1.48 1.04 -0.49 -0.84 113.70 115.93 3a8s s SER 91 Ca 0.15 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.94 3a8s s SER 91 Cb 0.04 -0.59 -0.00 0.00 0.10 0.00 0.00 66.02 65.57 3a8s s SER 91 CO -0.03 0.10 -0.20 -0.63 0.98 0.00 0.00 173.24 173.46 3a8s s ILE 92 N -1.79 1.65 -0.13 -1.02 1.01 -0.61 -1.06 121.20 119.24 3a8s s ILE 92 Ca 0.25 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3a8s s ILE 92 Cb -0.08 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 3a8s s ILE 92 CO 0.14 0.47 -0.18 -1.81 0.00 0.00 0.00 174.94 173.56 3a8s s ASP 93 N 0.00 3.49 -0.02 3.58 1.01 -0.26 0.72 116.67 125.20 3a8s s ASP 93 Ca -0.05 -0.48 -0.09 0.00 0.71 0.00 0.00 52.55 52.64 3a8s s ASP 93 Cb -0.13 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.30 3a8s s ASP 93 CO 0.03 0.12 0.20 -0.60 0.21 0.00 0.00 175.17 175.14 3a8s s ARG 94 N 0.58 0.48 0.01 8.23 3.52 -0.85 0.07 118.95 130.99 3a8s s ARG 94 Ca -0.11 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 3a8s s ARG 94 Cb -0.16 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 3a8s s ARG 94 CO 0.04 -0.11 -0.11 0.99 -0.81 0.00 0.00 175.30 175.29 3a8s s THR 95 N -1.00 0.87 -0.25 4.11 2.01 -0.10 -1.62 115.64 119.65 3a8s s THR 95 Ca -0.11 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 3a8s s THR 95 Cb -0.06 -0.77 0.08 0.00 0.01 0.00 0.00 72.50 71.77 3a8s s THR 95 CO 0.02 0.08 0.07 -0.69 -0.69 0.00 0.00 174.62 173.42 3a8s s VAL 96 N -0.56 0.53 -0.21 3.82 1.01 -0.78 -0.70 120.40 123.51 3a8s s VAL 96 Ca 0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3a8s s VAL 96 Cb -0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3a8s s VAL 96 CO 0.00 -0.47 0.61 -0.60 0.00 0.00 0.00 175.10 174.64 3a8s s ARG 97 N 1.82 4.19 -0.17 2.72 3.52 -0.80 -1.74 118.95 128.49 3a8s s ARG 97 Ca 0.05 0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 56.10 3a8s s ARG 97 Cb -0.17 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 3a8s s ARG 97 CO -0.19 -0.26 0.18 -0.06 -0.81 0.00 0.00 175.30 174.16 3a8s s PHE 98 N 1.98 3.48 0.20 5.12 0.08 -0.86 0.14 117.98 128.11 3a8s s PHE 98 Ca 0.27 0.46 -0.31 0.00 0.12 0.00 0.00 56.93 57.47 3a8s s PHE 98 Cb -0.16 -2.15 -0.10 0.00 -0.57 0.00 0.00 43.02 40.04 3a8s s PHE 98 CO 0.10 0.40 1.57 -1.21 -0.10 0.00 0.00 175.22 175.98 3a8s s GLU 99 N 0.00 4.20 -1.00 0.44 2.02 -0.68 -1.70 118.70 121.99 3a8s s GLU 99 Ca 0.12 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.52 3a8s s GLU 99 Cb -0.12 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.99 3a8s s GLU 99 CO 0.01 -0.60 0.00 0.09 0.02 0.00 0.00 175.26 174.78 3a8s n ASN 100 N 3.56 -5.58 -0.88 -0.19 3.02 -1.26 -4.81 115.26 109.12 3a8s n ASN 100 Ca 0.13 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 3a8s n ASN 100 Cb 0.38 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 3a8s n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3a8s n ASP 101 N -1.07 0.00 -4.01 6.41 4.64 -0.69 -4.80 116.55 117.03 3a8s n ASP 101 Ca -0.09 -0.88 -0.30 0.00 -1.38 0.00 0.00 54.79 52.14 3a8s n ASP 101 Cb 0.57 0.00 0.20 0.00 -1.04 0.00 0.00 41.12 40.85 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 -0.88 1.76 0.13 0.27 0.00 -0.93 -4.48 107.32 103.20 3a8s s GLY 102 Ca 0.00 -1.20 0.09 0.00 0.00 0.00 0.00 44.72 43.60 3a8s s GLY 102 CO 0.00 -0.39 -0.20 -1.08 0.00 0.00 0.00 173.10 171.43 3a8s s THR 103 N -3.75 1.81 -0.17 0.90 -1.32 -0.52 -2.02 115.64 110.56 3a8s s THR 103 Ca 0.74 -1.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 3a8s s THR 103 Cb -0.04 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.26 3a8s s THR 103 CO 0.54 -0.15 -0.17 0.00 -2.21 0.00 0.00 174.62 172.63 3a8s s MET 104 N -2.27 2.65 -0.20 7.08 0.23 -0.71 -1.84 119.30 124.23 3a8s s MET 104 Ca 0.11 -0.73 -0.06 0.00 -1.03 0.00 0.00 55.69 53.98 3a8s s MET 104 Cb -0.08 -2.38 -0.03 0.00 -1.53 0.00 0.00 34.83 30.81 3a8s s MET 104 CO 0.05 -0.24 0.04 0.99 -2.03 0.00 0.00 175.02 173.83 3a8s s THR 105 N 1.37 4.36 0.06 3.16 2.01 -0.25 -1.86 115.64 124.49 3a8s s THR 105 Ca 0.04 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.91 3a8s s THR 105 Cb -0.13 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3a8s s THR 105 CO -0.12 0.43 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.17 3a8s s SER 106 N 0.82 1.51 -0.11 3.53 1.04 -0.64 -0.87 113.70 118.98 3a8s s SER 106 Ca 0.02 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3a8s s SER 106 Cb -0.14 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 3a8s s SER 106 CO 0.02 -0.09 -0.20 -2.28 0.98 0.00 0.00 173.24 171.67 3a8s s HIS 107 N -1.27 2.65 0.08 5.02 2.46 -0.24 -2.00 115.29 121.99 3a8s s HIS 107 Ca -0.03 -0.89 0.06 0.00 0.47 0.00 0.00 55.06 54.66 3a8s s HIS 107 Cb -0.10 -1.76 -0.04 0.00 -0.13 0.00 0.00 32.58 30.55 3a8s s HIS 107 CO 0.02 -0.34 -0.07 -1.01 -2.47 0.00 0.00 174.74 170.87 3a8s s HIS 108 N 0.34 2.82 -0.04 3.88 3.76 0.22 -2.27 115.29 124.00 3a8s s HIS 108 Ca -0.16 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 3a8s s HIS 108 Cb -0.17 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 32.05 3a8s s HIS 108 CO 0.08 0.42 -0.02 0.99 -0.85 0.00 0.00 174.74 175.36 3a8s s THR 109 N -1.18 0.37 -0.06 1.30 2.01 -0.94 -1.58 115.64 115.55 3a8s s THR 109 Ca 0.21 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.26 3a8s s THR 109 Cb -0.11 -0.44 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 3a8s s THR 109 CO 0.13 0.20 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.76 3a8s s TYR 110 N 1.13 1.94 0.00 4.92 2.02 -0.02 -2.39 117.35 124.96 3a8s s TYR 110 Ca -0.08 -0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 55.93 3a8s s TYR 110 Cb -0.14 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.11 3a8s s TYR 110 CO -0.01 -0.24 0.09 -1.83 -1.57 0.00 0.00 175.55 171.98 3a8s s GLU 111 N 0.18 0.39 -0.29 -0.62 -1.05 -0.74 -2.71 118.70 113.87 3a8s s GLU 111 Ca -0.09 -0.39 -0.14 0.00 -0.15 0.00 0.00 54.97 54.20 3a8s s GLU 111 Cb -0.14 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 3a8s s GLU 111 CO 0.04 -0.08 0.33 -1.17 0.95 0.00 0.00 175.26 175.32 3a8s s LEU 112 N -1.24 4.13 -0.52 1.83 0.20 -1.26 -1.23 118.68 120.59 3a8s s LEU 112 Ca -0.13 0.09 -0.07 0.00 0.69 0.00 0.00 54.13 54.71 3a8s s LEU 112 Cb -0.07 -2.34 0.14 0.00 -0.43 0.00 0.00 46.19 43.49 3a8s s LEU 112 CO 0.01 -0.19 0.37 -0.62 -0.29 0.00 0.00 176.35 175.63 3a8s s ASP 113 N 1.69 5.58 1.26 3.68 2.15 0.39 -4.96 116.67 126.47 3a8s s ASP 113 Ca 0.12 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 50.87 3a8s s ASP 113 Cb -0.16 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 3a8s s ASP 113 CO 0.11 -0.57 0.00 -0.67 -0.17 0.00 0.00 175.17 173.87 3a8s n ASP 114 N 4.41 0.00 -0.21 -0.34 4.64 -1.26 -0.86 116.55 122.94 3a8s n ASP 114 Ca -0.01 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 53.42 3a8s n ASP 114 Cb 0.41 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.53 3a8s n ASP 114 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3a8s n THR 115 N 0.00 0.55 -4.03 5.18 -2.24 -1.26 -4.94 114.28 107.54 3a8s n THR 115 Ca 0.00 -0.78 -0.33 0.00 -2.27 0.00 0.00 64.05 60.67 3a8s n THR 115 Cb 0.00 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 3a8s n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a8s s VAL 117 N 1.28 5.06 0.06 0.00 0.11 0.84 -0.46 120.40 127.28 3a8s s VAL 117 Ca 0.00 1.21 0.08 0.00 -2.93 0.00 0.00 61.98 60.35 3a8s s VAL 117 Cb -0.16 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 3a8s s VAL 117 CO -0.07 0.33 -0.22 0.54 -3.33 0.00 0.00 175.10 172.34 3a8s s VAL 118 N 0.46 2.49 -0.01 2.04 0.11 -0.37 -1.53 120.40 123.59 3a8s s VAL 118 Ca 0.32 -1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 57.97 3a8s s VAL 118 Cb -0.17 -2.04 -0.00 0.00 -1.53 0.00 0.00 36.38 32.64 3a8s s VAL 118 CO 0.15 0.30 0.08 -0.94 -3.33 0.00 0.00 175.10 171.37 3a8s s SER 119 N -1.49 0.04 -0.02 3.54 1.04 0.10 -1.78 113.70 115.13 3a8s s SER 119 Ca 0.14 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.50 3a8s s SER 119 Cb -0.10 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3a8s s SER 119 CO 0.04 -0.24 -0.24 0.00 0.98 0.00 0.00 173.24 173.78 3a8s s ARG 120 N -0.93 1.93 -0.01 4.02 3.03 -1.00 -0.85 118.95 125.13 3a8s s ARG 120 Ca -0.10 -0.86 0.04 0.00 2.03 0.00 0.00 55.73 56.84 3a8s s ARG 120 Cb -0.06 -1.87 -0.01 0.00 -1.03 0.00 0.00 34.95 31.98 3a8s s ARG 120 CO 0.00 0.51 -0.14 0.42 -1.13 0.00 0.00 175.30 174.96 3a8s s ILE 121 N -0.57 1.15 -0.03 4.99 1.01 -0.26 -2.22 121.20 125.26 3a8s s ILE 121 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3a8s s ILE 121 Cb -0.09 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3a8s s ILE 121 CO -0.01 0.33 -0.12 -0.89 0.00 0.00 0.00 174.94 174.25 3a8s s THR 122 N -0.28 3.24 -0.22 2.92 2.01 -0.96 0.25 115.64 122.59 3a8s s THR 122 Ca 0.04 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 3a8s s THR 122 Cb -0.06 -2.32 0.11 0.00 0.01 0.00 0.00 72.50 70.24 3a8s s THR 122 CO -0.00 0.53 0.46 0.54 -0.69 0.00 0.00 174.62 175.46 3a8s s VAL 123 N -0.81 -0.72 -0.04 3.82 0.11 -1.12 -1.08 120.40 120.56 3a8s s VAL 123 Ca 0.13 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 3a8s s VAL 123 Cb -0.11 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 3a8s s VAL 123 CO 0.02 0.03 0.51 0.20 -3.33 0.00 0.00 175.10 172.54 3a8s s ASN 124 N 2.66 6.84 -0.31 3.54 0.01 -0.05 -2.37 114.94 125.26 3a8s s ASN 124 Ca 0.00 1.00 0.02 0.00 -0.71 0.00 0.00 52.86 53.17 3a8s s ASN 124 Cb -0.13 -2.31 0.09 0.00 0.41 0.00 0.00 41.25 39.31 3a8s s ASN 124 CO -0.14 0.12 0.03 0.00 -1.51 0.00 0.00 177.10 175.59 3a8s s ASP 126 N 1.13 3.03 -1.24 0.00 1.01 -0.77 0.12 116.67 119.96 3a8s s ASP 126 Ca 0.06 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.48 3a8s s ASP 126 Cb -0.19 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.54 3a8s s ASP 126 CO -0.11 0.05 0.00 0.61 0.21 0.00 0.00 175.17 175.93 3a8s n GLY 127 N 0.38 1.27 3.77 0.21 0.00 -1.26 -1.44 105.19 108.12 3a8s n GLY 127 Ca -0.14 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.40 3.40 -0.37 1.61 0.08 -1.26 -2.18 117.98 116.86 3a8s s PHE 128 Ca 0.00 1.68 -0.25 0.00 0.12 0.00 0.00 56.93 58.48 3a8s s PHE 128 Cb 0.00 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 3a8s s PHE 128 CO 0.00 -0.54 0.87 -0.65 -0.10 0.00 0.00 175.22 174.81 3a8s s GLN 129 N -2.13 3.80 0.26 0.44 -1.52 -1.26 -4.80 119.66 114.45 3a8s s GLN 129 Ca 0.53 0.47 -0.01 0.00 -1.95 0.00 0.00 55.36 54.40 3a8s s GLN 129 Cb -0.25 -3.81 0.56 0.00 -0.22 0.00 0.00 33.01 29.30 3a8s s GLN 129 CO 0.31 -0.92 1.72 -1.35 -0.25 0.00 0.00 175.29 174.81 3a8s h PRO 130 N 8.49 0.45 -0.01 2.91 0.11 -1.96 0.07 132.00 142.06 3a8s h PRO 130 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3a8s h PRO 130 Cb 1.08 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3a8s h PRO 130 CO 0.96 0.30 -0.04 -0.25 -0.21 0.00 0.00 178.00 178.75 3a8s n ASP 131 N -5.00 1.14 -4.80 -2.05 8.00 -1.26 -4.03 116.55 108.55 3a8s n ASP 131 Ca 0.17 -1.27 -0.29 0.00 0.71 0.00 0.00 54.79 54.11 3a8s n ASP 131 Cb 0.50 0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.72 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 -2.11 1.60 0.24 0.44 0.00 0.01 -4.83 107.32 102.67 3a8s s GLY 132 Ca 0.37 -0.35 0.23 0.00 0.00 0.00 0.00 44.72 44.96 3a8s s GLY 132 CO 0.38 0.13 1.68 -1.55 0.00 0.00 0.00 173.10 173.74 3a8s n PRO 133 N -3.58 0.17 -0.07 2.90 -0.04 -1.26 -1.12 135.00 132.00 3a8s n PRO 133 Ca 0.07 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.83 3a8s n PRO 133 Cb 0.58 -1.84 -0.11 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.43 -0.03 0.52 2.04 -1.93 0.64 117.51 120.18 3a8s h ILE 134 Ca 0.00 -2.10 -0.14 0.00 1.00 0.00 0.00 64.86 63.62 3a8s h ILE 134 Cb 0.33 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3a8s h ILE 134 CO 0.00 0.48 -0.62 0.24 0.00 0.00 0.00 178.15 178.26 3a8s h MET 135 N -1.00 0.12 -0.82 2.37 2.86 -1.67 0.50 114.93 117.29 3a8s h MET 135 Ca -0.02 -0.09 -0.21 0.00 -2.06 0.00 0.00 59.70 57.32 3a8s h MET 135 Cb 0.85 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.40 3a8s h MET 135 CO -0.01 0.70 0.26 0.54 1.06 0.00 0.00 176.91 179.46 3a8s n ARG 136 N -3.83 3.17 -3.64 1.72 1.74 -0.28 -4.71 116.66 110.83 3a8s n ARG 136 Ca -0.02 -2.55 -0.24 0.00 -0.77 0.00 0.00 57.85 54.28 3a8s n ARG 136 Cb 0.62 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3a8s n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a8s n ASP 137 N -0.15 -3.34 -0.06 0.55 2.03 -1.03 -4.87 116.55 109.68 3a8s n ASP 137 Ca 0.36 -0.81 0.01 0.00 0.52 0.00 0.00 54.79 54.87 3a8s n ASP 137 Cb 1.25 -1.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.50 3a8s n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a8s n GLN 138 N -2.71 2.98 -2.87 -0.67 1.13 0.22 -5.00 117.38 110.46 3a8s n GLN 138 Ca -0.19 -1.55 -0.40 0.00 -1.94 0.00 0.00 57.00 52.92 3a8s n GLN 138 Cb 0.48 -1.03 -0.05 0.00 0.11 0.00 0.00 30.24 29.75 3a8s n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3a8s s LEU 139 N -1.01 4.55 -0.04 1.08 1.43 -1.23 -0.41 118.68 123.06 3a8s s LEU 139 Ca 0.02 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 3a8s s LEU 139 Cb 0.01 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 3a8s s LEU 139 CO 0.01 0.09 -0.12 0.52 0.23 0.00 0.00 176.35 177.08 3a8s n VAL 140 N 2.15 0.86 -4.16 -1.59 0.31 0.23 -4.87 118.33 111.26 3a8s n VAL 140 Ca -0.02 0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 64.29 3a8s n VAL 140 Cb 0.49 -1.74 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 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 -5.37 4.87 -0.56 4.52 1.01 -1.24 -4.93 116.67 114.98 3a8s s ASP 141 Ca -0.10 -0.28 -0.10 0.00 0.71 0.00 0.00 52.55 52.78 3a8s s ASP 141 Cb 0.01 -1.09 0.14 0.00 1.01 0.00 0.00 42.92 42.99 3a8s s ASP 141 CO 0.15 0.14 0.44 -0.63 0.21 0.00 0.00 175.17 175.48 3a8s s ILE 142 N -1.45 4.46 0.04 0.77 1.01 -1.26 -1.90 121.20 122.86 3a8s s ILE 142 Ca 0.26 -2.03 -0.36 0.00 0.00 0.00 0.00 60.65 58.52 3a8s s ILE 142 Cb -0.11 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 3a8s s ILE 142 CO 0.18 -0.84 1.52 0.18 0.00 0.00 0.00 174.94 175.98 3a8s n LEU 143 N 4.60 2.37 -4.77 2.97 4.32 -0.68 -4.51 117.00 121.29 3a8s n LEU 143 Ca -0.03 1.09 -0.41 0.00 -0.02 0.00 0.00 56.01 56.64 3a8s n LEU 143 Cb 0.41 -1.27 -0.01 0.00 -1.62 0.00 0.00 43.42 40.93 3a8s n LEU 143 CO 0.41 -0.63 1.07 -2.84 -1.22 0.00 0.00 177.39 174.18 3a8s s PRO 144 N 1.42 4.22 0.19 3.23 0.02 -1.26 -4.56 135.00 138.27 3a8s s PRO 144 Ca 0.86 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 64.25 3a8s s PRO 144 Cb -0.86 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 3a8s s PRO 144 CO 0.47 -0.38 0.19 0.54 -0.33 0.00 0.00 177.00 177.49 3a8s s ASN 145 N -0.26 0.13 -0.73 2.53 4.22 -1.14 -5.01 114.94 114.68 3a8s s ASN 145 Ca 0.52 -1.25 -0.04 0.00 -2.14 0.00 0.00 52.86 49.95 3a8s s ASN 145 Cb -0.43 0.40 0.19 0.00 1.28 0.00 0.00 41.25 42.69 3a8s s ASN 145 CO 0.58 -0.87 0.58 -1.61 -2.04 0.00 0.00 177.10 173.74 3a8s s GLU 146 N -4.10 2.92 0.44 3.55 0.41 -1.26 -1.83 118.70 118.82 3a8s s GLU 146 Ca 0.32 -2.75 -0.24 0.00 -0.41 0.00 0.00 54.97 51.89 3a8s s GLU 146 Cb 0.06 -3.89 -0.08 0.00 -1.78 0.00 0.00 34.13 28.44 3a8s s GLU 146 CO 0.09 -1.22 1.22 0.95 -0.49 0.00 0.00 175.26 175.82 3a8s s THR 147 N -0.43 2.88 -0.23 3.63 -4.23 -0.98 -4.84 115.64 111.45 3a8s s THR 147 Ca 0.20 0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 61.31 3a8s s THR 147 Cb -0.15 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 3a8s s THR 147 CO -0.07 0.04 0.21 -1.00 -0.54 0.00 0.00 174.62 173.27 3a8s s HIS 148 N -1.41 3.33 -0.12 3.99 3.76 0.53 -2.04 115.29 123.33 3a8s s HIS 148 Ca 0.61 0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 55.80 3a8s s HIS 148 Cb -0.33 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 3a8s s HIS 148 CO 0.41 0.06 0.03 -1.64 -0.85 0.00 0.00 174.74 172.75 3a8s s MET 149 N 1.08 3.36 0.04 1.40 -1.94 -0.37 0.01 119.30 122.88 3a8s s MET 149 Ca 0.10 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 3a8s s MET 149 Cb -0.14 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 3a8s s MET 149 CO 0.05 0.57 -0.08 -0.06 -0.01 0.00 0.00 175.02 175.49 3a8s s PHE 150 N -0.50 0.73 0.38 -0.03 0.08 0.13 -2.40 117.98 116.36 3a8s s PHE 150 Ca 0.09 -0.44 -0.27 0.00 0.12 0.00 0.00 56.93 56.43 3a8s s PHE 150 Cb -0.12 -0.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.80 3a8s s PHE 150 CO 0.02 -0.06 1.29 -1.25 -0.10 0.00 0.00 175.22 175.13 3a8s s PRO 151 N -1.41 4.13 -0.41 0.24 0.04 -1.25 -0.24 135.00 136.10 3a8s s PRO 151 Ca -0.07 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.20 3a8s s PRO 151 Cb -0.09 -2.88 0.25 0.00 0.04 0.00 0.00 34.50 31.83 3a8s s PRO 151 CO 0.01 -0.35 0.54 1.58 0.04 0.00 0.00 177.00 178.82 3a8s n HIS 152 N 0.39 -0.06 -1.94 0.56 -0.00 -0.16 -4.65 115.22 109.35 3a8s n HIS 152 Ca 0.02 -3.61 0.00 0.00 0.46 0.00 0.00 57.72 54.59 3a8s n HIS 152 Cb 0.43 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 3a8s n HIS 152 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3a8s n GLY 153 N 1.33 -1.84 0.18 1.57 0.00 -1.26 -3.70 105.19 101.48 3a8s n GLY 153 Ca 0.22 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.57 3a8s n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a8s h PRO 154 N 0.00 0.00 -0.14 1.61 0.14 -1.99 -3.37 132.00 128.25 3a8s h PRO 154 Ca 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 66.00 65.94 3a8s h PRO 154 Cb 0.00 0.00 -0.38 0.00 0.14 0.00 0.00 31.00 30.76 3a8s h PRO 154 CO 0.00 0.31 -1.05 0.27 0.14 0.00 0.00 178.00 177.67 3a8s n ASN 155 N -3.23 1.24 -3.69 1.44 6.94 -1.26 -4.63 115.26 112.07 3a8s n ASN 155 Ca 0.02 -2.08 -0.13 0.00 -0.02 0.00 0.00 54.58 52.37 3a8s n ASN 155 Cb 0.61 -0.36 -0.07 0.00 -2.36 0.00 0.00 39.78 37.59 3a8s n ASN 155 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a8s s ALA 156 N -1.30 -0.99 0.01 -2.53 0.00 -1.24 -1.34 121.76 114.38 3a8s s ALA 156 Ca 0.32 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.75 3a8s s ALA 156 Cb 0.37 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 3a8s s ALA 156 CO -0.12 -0.39 -0.24 0.08 0.00 0.00 0.00 175.76 175.09 3a8s s VAL 157 N -2.01 1.96 -0.11 0.00 1.01 -0.40 -0.99 120.40 119.85 3a8s s VAL 157 Ca -0.08 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 3a8s s VAL 157 Cb -0.02 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3a8s s VAL 157 CO 0.01 0.43 0.02 -0.60 0.00 0.00 0.00 175.10 174.96 3a8s s ARG 158 N -0.91 3.25 -0.12 2.72 3.52 0.67 -0.33 118.95 127.75 3a8s s ARG 158 Ca 0.10 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 3a8s s ARG 158 Cb -0.09 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3a8s s ARG 158 CO 0.01 0.61 -0.19 -1.14 -0.81 0.00 0.00 175.30 173.77 3a8s s GLN 159 N -0.60 2.64 -0.03 5.12 0.74 0.21 0.19 119.66 127.93 3a8s s GLN 159 Ca 0.10 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 54.86 3a8s s GLN 159 Cb -0.12 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.81 3a8s s GLN 159 CO 0.02 -0.03 -0.23 -0.51 -0.55 0.00 0.00 175.29 173.99 3a8s s LEU 160 N 0.88 2.04 0.06 3.68 1.43 0.10 -0.10 118.68 126.77 3a8s s LEU 160 Ca -0.07 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 3a8s s LEU 160 Cb -0.15 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3a8s s LEU 160 CO -0.01 0.26 0.33 0.00 0.23 0.00 0.00 176.35 177.16 3a8s s ALA 161 N -0.38 -0.75 -0.35 4.21 0.00 -0.85 0.20 121.76 123.84 3a8s s ALA 161 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3a8s s ALA 161 Cb -0.11 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.45 3a8s s ALA 161 CO 0.01 -0.47 0.15 -0.06 0.00 0.00 0.00 175.76 175.39 3a8s s PHE 162 N -2.86 3.24 -0.38 0.00 0.08 -1.26 -1.45 117.98 115.36 3a8s s PHE 162 Ca -0.03 -1.19 -0.13 0.00 0.12 0.00 0.00 56.93 55.71 3a8s s PHE 162 Cb 0.00 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 3a8s s PHE 162 CO -0.05 -0.68 0.25 0.42 -0.10 0.00 0.00 175.22 175.05 3a8s s ILE 163 N 1.48 4.96 -0.12 0.64 1.01 -0.53 -4.80 121.20 123.84 3a8s s ILE 163 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3a8s s ILE 163 Cb -0.19 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3a8s s ILE 163 CO 0.05 -0.21 0.05 -0.83 0.00 0.00 0.00 174.94 173.99 3a8s s GLY 164 N 1.63 1.93 -0.14 6.18 0.00 -1.26 0.14 107.32 115.81 3a8s s GLY 164 Ca 0.04 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3a8s s GLY 164 CO 0.09 -0.38 -0.22 -1.36 0.00 0.00 0.00 173.10 171.23 3a8s s PHE 165 N -0.62 2.66 0.13 1.90 0.08 0.19 -1.68 117.98 120.64 3a8s s PHE 165 Ca 0.11 -1.33 -0.31 0.00 0.12 0.00 0.00 56.93 55.52 3a8s s PHE 165 Cb -0.12 -1.81 -0.08 0.00 -0.57 0.00 0.00 43.02 40.44 3a8s s PHE 165 CO 0.02 -0.60 1.41 0.99 -0.10 0.00 0.00 175.22 176.94 3a8s s THR 166 N 0.79 3.19 0.27 0.64 2.01 -0.80 0.40 115.64 122.14 3a8s s THR 166 Ca -0.08 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 3a8s s THR 166 Cb -0.16 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 3a8s s THR 166 CO -0.01 0.08 0.57 0.42 -0.69 0.00 0.00 174.62 174.99 3a8s s THR 167 N 0.97 4.95 0.21 -0.82 -4.23 0.27 0.78 115.64 117.77 3a8s s THR 167 Ca 0.64 0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 61.32 3a8s s THR 167 Cb -0.38 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 69.99 3a8s s THR 167 CO 0.32 -0.21 1.59 0.00 -0.54 0.00 0.00 174.62 175.78 3a8s h ALA 168 N 2.08 0.18 0.00 3.99 0.00 -1.06 0.04 119.26 124.50 3a8s h ALA 168 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a8s h ALA 168 Cb 1.18 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3a8s h ALA 168 CO 0.67 -0.56 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 3a8s n ASP 169 N -5.46 4.31 -1.70 0.00 3.85 -1.26 -4.72 116.55 111.57 3a8s n ASP 169 Ca 0.07 -2.14 -0.21 0.00 -0.71 0.00 0.00 54.79 51.81 3a8s n ASP 169 Cb 0.37 -0.91 -0.08 0.00 -1.35 0.00 0.00 41.12 39.15 3a8s n ASP 169 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a8s n GLY 170 N 1.58 1.57 1.72 6.12 0.00 -0.01 -4.99 105.19 111.18 3a8s n GLY 170 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 0.83 2.91 -0.02 0.00 -1.16 -4.82 105.19 102.40 3a8s n GLY 171 Ca -0.21 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 3a8s n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a8s s LEU 172 N 0.00 1.47 -0.23 0.99 1.43 -1.26 -0.56 118.68 120.51 3a8s s LEU 172 Ca 0.29 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3a8s s LEU 172 Cb -0.02 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.82 3a8s s LEU 172 CO 0.19 -0.03 -0.09 -0.32 0.23 0.00 0.00 176.35 176.33 3a8s s MET 173 N 0.68 2.84 -0.10 1.70 -2.45 0.16 -4.92 119.30 117.21 3a8s s MET 173 Ca -0.09 -0.96 -0.12 0.00 -1.25 0.00 0.00 55.69 53.27 3a8s s MET 173 Cb -0.12 -2.89 -0.05 0.00 1.25 0.00 0.00 34.83 33.02 3a8s s MET 173 CO 0.00 -0.36 0.28 -1.64 1.05 0.00 0.00 175.02 174.35 3a8s s MET 174 N 1.31 3.95 -0.11 4.11 -1.94 -1.26 0.53 119.30 125.88 3a8s s MET 174 Ca 0.01 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 3a8s s MET 174 Cb -0.16 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 3a8s s MET 174 CO -0.06 0.51 -0.12 0.20 -0.01 0.00 0.00 175.02 175.54 3a8s s GLY 175 N -0.37 1.57 -0.59 -0.03 0.00 0.38 -1.69 107.32 106.59 3a8s s GLY 175 Ca 0.18 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.84 3a8s s GLY 175 CO 0.07 -0.33 0.57 0.30 0.00 0.00 0.00 173.10 173.70 3a8s s HIS 176 N 0.04 3.28 -0.10 1.90 3.76 0.12 -1.45 115.29 122.84 3a8s s HIS 176 Ca -0.04 -1.34 -0.24 0.00 -0.15 0.00 0.00 55.06 53.29 3a8s s HIS 176 Cb -0.14 -3.83 -0.03 0.00 1.11 0.00 0.00 32.58 29.68 3a8s s HIS 176 CO 0.04 -1.06 0.75 0.12 -0.85 0.00 0.00 174.74 173.74 3a8s s PHE 177 N 1.56 3.52 -0.22 1.40 5.36 -0.53 -1.90 117.98 127.18 3a8s s PHE 177 Ca 0.06 1.25 -0.04 0.00 -0.96 0.00 0.00 56.93 57.24 3a8s s PHE 177 Cb -0.26 -2.88 0.08 0.00 -0.34 0.00 0.00 43.02 39.61 3a8s s PHE 177 CO 0.02 -0.03 0.12 0.34 -1.46 0.00 0.00 175.22 174.20 3a8s s ASP 178 N 0.95 2.76 -0.05 6.13 -1.08 0.13 -2.00 116.67 123.50 3a8s s ASP 178 Ca 0.38 -0.87 0.03 0.00 -0.52 0.00 0.00 52.55 51.57 3a8s s ASP 178 Cb -0.17 -0.24 0.01 0.00 -1.46 0.00 0.00 42.92 41.05 3a8s s ASP 178 CO 0.17 -0.39 -0.14 -0.55 0.52 0.00 0.00 175.17 174.78 3a8s s SER 179 N 2.14 1.91 -0.16 -0.34 0.15 0.86 -0.93 113.70 117.32 3a8s s SER 179 Ca 0.05 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 3a8s s SER 179 Cb -0.16 -0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 3a8s s SER 179 CO -0.21 0.09 -0.08 -0.75 1.20 0.00 0.00 173.24 173.49 3a8s s LYS 180 N 0.36 3.46 -0.38 5.44 2.20 0.11 0.67 119.74 131.59 3a8s s LYS 180 Ca -0.10 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 54.82 3a8s s LYS 180 Cb -0.13 -2.81 0.07 0.00 -1.51 0.00 0.00 37.83 33.45 3a8s s LYS 180 CO 0.03 0.11 0.18 -1.64 -0.36 0.00 0.00 175.35 173.66 3a8s s MET 181 N 0.67 2.49 -0.16 4.03 -1.94 0.56 -1.10 119.30 123.84 3a8s s MET 181 Ca -0.04 -1.41 -0.11 0.00 -1.71 0.00 0.00 55.69 52.42 3a8s s MET 181 Cb -0.15 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.06 3a8s s MET 181 CO 0.02 -0.85 0.19 0.99 -0.01 0.00 0.00 175.02 175.37 3a8s s THR 182 N 1.35 5.38 0.07 2.05 2.01 -0.23 -1.28 115.64 125.00 3a8s s THR 182 Ca 0.02 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3a8s s THR 182 Cb -0.22 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3a8s s THR 182 CO 0.01 0.47 1.02 0.12 -0.69 0.00 0.00 174.62 175.56 3a8s s PHE 183 N 0.00 3.66 -0.35 4.92 5.36 -0.45 -1.40 117.98 129.73 3a8s s PHE 183 Ca 0.13 1.65 0.23 0.00 -0.96 0.00 0.00 56.93 57.98 3a8s s PHE 183 Cb -0.12 -3.17 0.06 0.00 -0.34 0.00 0.00 43.02 39.45 3a8s s PHE 183 CO 0.02 -0.22 1.07 0.09 -1.46 0.00 0.00 175.22 174.72 3a8s n ASN 184 N 3.38 0.75 -4.51 6.13 3.02 -0.94 -4.93 115.26 118.16 3a8s n ASN 184 Ca 0.05 0.21 -0.29 0.00 -0.03 0.00 0.00 54.58 54.52 3a8s n ASN 184 Cb 0.49 0.50 0.24 0.00 -0.61 0.00 0.00 39.78 40.41 3a8s n ASN 184 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3a8s s GLY 185 N -4.14 1.56 -0.30 7.41 0.00 -1.26 -4.95 107.32 105.63 3a8s s GLY 185 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3a8s s GLY 185 CO 0.78 0.63 1.50 -1.14 0.00 0.00 0.00 173.10 174.88 3a8s n SER 186 N -4.87 2.55 -3.42 1.64 3.41 -1.26 -4.99 113.62 106.68 3a8s n SER 186 Ca 0.04 -3.78 -0.10 0.00 -0.26 0.00 0.00 58.87 54.78 3a8s n SER 186 Cb 0.54 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3a8s n SER 186 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a8s n ARG 187 N -1.12 0.82 -3.77 4.33 1.74 -1.26 -5.09 116.66 112.30 3a8s n ARG 187 Ca 0.35 -1.52 -0.37 0.00 -0.77 0.00 0.00 57.85 55.54 3a8s n ARG 187 Cb 1.09 -0.10 -0.13 0.00 -1.02 0.00 0.00 32.46 32.30 3a8s n ARG 187 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a8s s ALA 188 N -2.34 3.03 0.28 7.54 0.00 -1.26 -5.09 121.76 123.92 3a8s s ALA 188 Ca 0.29 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.62 3a8s s ALA 188 Cb -0.02 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 3a8s s ALA 188 CO 0.18 -1.21 0.43 -1.50 0.00 0.00 0.00 175.76 173.67 3a8s s ILE 189 N 1.42 5.17 -0.39 0.00 2.07 -1.26 -5.06 121.20 123.14 3a8s s ILE 189 Ca -0.01 -0.79 -0.21 0.00 -1.41 0.00 0.00 60.65 58.23 3a8s s ILE 189 Cb -0.19 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.57 3a8s s ILE 189 CO 0.02 -0.41 0.66 -0.70 -1.91 0.00 0.00 174.94 172.60 3a8s s GLU 190 N -4.11 3.54 -0.03 3.50 2.12 -1.26 -4.91 118.70 117.55 3a8s s GLU 190 Ca 0.37 -0.07 -0.28 0.00 0.36 0.00 0.00 54.97 55.34 3a8s s GLU 190 Cb -0.09 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 3a8s s GLU 190 CO 0.32 -0.86 0.89 0.42 -0.54 0.00 0.00 175.26 175.49 3a8s s ILE 191 N 2.82 4.92 0.55 -3.70 -1.09 -1.26 -4.74 121.20 118.70 3a8s s ILE 191 Ca 0.25 1.86 -0.14 0.00 -2.23 0.00 0.00 60.65 60.39 3a8s s ILE 191 Cb -0.14 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.45 3a8s s ILE 191 CO 0.17 0.18 0.99 -2.16 -1.23 0.00 0.00 174.94 172.89 3a8s s PRO 192 N 1.02 3.79 0.79 2.79 0.04 -1.26 -5.01 135.00 137.17 3a8s s PRO 192 Ca 0.47 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 3a8s s PRO 192 Cb -0.20 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3a8s s PRO 192 CO 0.24 -0.38 1.13 0.20 0.04 0.00 0.00 177.00 178.23 3a8s s GLY 193 N -3.55 1.61 -0.08 0.56 0.00 -1.26 -3.82 107.32 100.78 3a8s s GLY 193 Ca 0.57 -0.45 -0.38 0.00 0.00 0.00 0.00 44.72 44.45 3a8s s GLY 193 CO 0.41 -0.00 1.54 -1.05 0.00 0.00 0.00 173.10 174.00 3a8s n PRO 194 N -3.32 1.19 -1.51 2.90 -0.02 -1.26 -4.75 135.00 128.23 3a8s n PRO 194 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3a8s n PRO 194 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.92 -0.35 -4.18 6.00 1.44 -1.01 -4.79 115.22 116.25 3a8s n HIS 195 Ca 0.22 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.79 3a8s n HIS 195 Cb 0.17 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.17 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 -4.44 1.04 -0.16 -1.40 0.08 0.33 -1.24 117.98 112.19 3a8s s PHE 196 Ca 0.00 -0.70 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 3a8s s PHE 196 Cb 0.00 -0.57 0.05 0.00 -0.57 0.00 0.00 43.02 41.93 3a8s s PHE 196 CO 0.00 -0.02 0.04 0.54 -0.10 0.00 0.00 175.22 175.68 3a8s s VAL 197 N -2.68 0.33 0.24 -0.44 0.11 -0.87 -1.03 120.40 116.06 3a8s s VAL 197 Ca 0.07 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 3a8s s VAL 197 Cb -0.01 -0.79 -0.09 0.00 -1.53 0.00 0.00 36.38 33.96 3a8s s VAL 197 CO -0.01 -0.12 1.20 -0.89 -3.33 0.00 0.00 175.10 171.96 3a8s s THR 198 N 1.96 3.36 -0.24 5.04 2.01 0.54 -2.32 115.64 125.99 3a8s s THR 198 Ca 0.01 1.23 -0.04 0.00 0.31 0.00 0.00 61.69 63.21 3a8s s THR 198 Cb -0.16 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.65 3a8s s THR 198 CO -0.07 0.24 0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 3a8s s ILE 199 N -0.52 0.15 -0.11 1.82 1.01 -0.76 -2.07 121.20 120.72 3a8s s ILE 199 Ca 0.50 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3a8s s ILE 199 Cb -0.34 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3a8s s ILE 199 CO 0.41 -0.50 0.10 -0.63 0.00 0.00 0.00 174.94 174.32 3a8s s ILE 200 N 2.00 5.20 0.03 2.92 1.09 -0.51 -2.89 121.20 129.05 3a8s s ILE 200 Ca 0.05 0.09 -0.01 0.00 -1.10 0.00 0.00 60.65 59.69 3a8s s ILE 200 Cb -0.16 -3.25 -0.02 0.00 -1.06 0.00 0.00 42.46 37.96 3a8s s ILE 200 CO -0.22 0.61 -0.01 0.42 -0.10 0.00 0.00 174.94 175.64 3a8s s THR 201 N -0.98 0.14 -0.08 2.92 -4.23 -1.26 -1.04 115.64 111.11 3a8s s THR 201 Ca 0.14 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 3a8s s THR 201 Cb -0.12 -0.67 0.04 0.00 1.34 0.00 0.00 72.50 73.09 3a8s s THR 201 CO 0.04 -0.64 0.19 -0.75 -0.54 0.00 0.00 174.62 172.91 3a8s s LYS 202 N -2.24 0.14 0.18 3.99 2.20 -0.30 -4.64 119.74 119.07 3a8s s LYS 202 Ca -0.09 0.45 0.05 0.00 -0.36 0.00 0.00 55.97 56.02 3a8s s LYS 202 Cb -0.04 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 3a8s s LYS 202 CO -0.04 -0.17 0.20 -0.65 -0.36 0.00 0.00 175.35 174.33 3a8s s GLN 203 N 1.25 3.06 -0.29 4.03 -0.21 -1.26 -2.04 119.66 124.20 3a8s s GLN 203 Ca -0.09 -0.84 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 3a8s s GLN 203 Cb -0.11 -2.72 0.11 0.00 1.00 0.00 0.00 33.01 31.29 3a8s s GLN 203 CO -0.07 0.47 0.71 -1.64 -2.12 0.00 0.00 175.29 172.64 3a8s s MET 204 N -3.34 0.60 0.03 2.91 -1.94 0.74 -4.98 119.30 113.32 3a8s s MET 204 Ca 0.32 1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 55.25 3a8s s MET 204 Cb -0.10 0.48 -0.05 0.00 2.01 0.00 0.00 34.83 37.17 3a8s s MET 204 CO 0.25 -0.16 1.24 0.50 -0.01 0.00 0.00 175.02 176.84 3a8s s ARG 205 N 2.23 4.39 -0.87 2.03 6.06 -1.26 0.18 118.95 131.70 3a8s s ARG 205 Ca -0.08 1.79 -0.24 0.00 -2.50 0.00 0.00 55.73 54.71 3a8s s ARG 205 Cb -0.08 -3.42 0.06 0.00 0.06 0.00 0.00 34.95 31.57 3a8s s ARG 205 CO -0.19 -0.35 1.29 0.34 -2.50 0.00 0.00 175.30 173.89 3a8s s ASP 206 N 1.27 6.37 0.18 -2.12 2.15 0.32 -4.86 116.67 119.99 3a8s s ASP 206 Ca 0.59 -1.16 -0.05 0.00 0.43 0.00 0.00 52.55 52.36 3a8s s ASP 206 Cb -0.29 -2.52 0.08 0.00 -0.30 0.00 0.00 42.92 39.88 3a8s s ASP 206 CO 0.27 -1.54 1.49 0.71 -0.17 0.00 0.00 175.17 175.93 3a8s h THR 207 N 6.32 1.31 -1.17 1.71 1.35 -1.93 -2.73 112.91 117.77 3a8s h THR 207 Ca -0.02 -1.78 0.35 0.00 -0.55 0.00 0.00 66.41 64.41 3a8s h THR 207 Cb 1.03 1.74 -0.12 0.00 -1.73 0.00 0.00 68.15 69.08 3a8s h THR 207 CO 1.31 0.56 0.75 0.77 -0.25 0.00 0.00 175.52 178.65 3a8s h SER 208 N 0.47 0.35 -3.51 5.36 4.64 -1.97 -3.38 113.55 115.51 3a8s h SER 208 Ca 0.01 0.12 -0.53 0.00 -0.47 0.00 0.00 61.79 60.92 3a8s h SER 208 Cb 1.10 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 3a8s h SER 208 CO 0.11 -0.07 0.31 -0.62 -0.87 0.00 0.00 176.83 175.68 3a8s s ASP 209 N -4.85 7.40 0.39 4.97 -1.08 -1.03 -4.96 116.67 117.50 3a8s s ASP 209 Ca -0.08 1.68 0.21 0.00 -0.52 0.00 0.00 52.55 53.83 3a8s s ASP 209 Cb 0.28 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.55 3a8s s ASP 209 CO 0.81 -0.07 1.59 0.11 0.52 0.00 0.00 175.17 178.13 3a8s h LYS 210 N 5.78 0.00 -7.49 4.34 1.79 -1.85 -3.45 116.57 115.69 3a8s h LYS 210 Ca -0.43 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.57 3a8s h LYS 210 Cb 1.21 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.97 3a8s h LYS 210 CO 0.72 0.21 0.35 1.03 -1.08 0.00 0.00 179.45 180.69 3a8s s ARG 211 N -3.19 1.89 -0.89 3.15 0.52 -1.26 -4.93 118.95 114.25 3a8s s ARG 211 Ca 0.05 0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 55.42 3a8s s ARG 211 Cb 0.07 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 3a8s s ARG 211 CO 0.69 -1.70 1.87 0.34 0.02 0.00 0.00 175.30 176.52 3a8s s ASP 212 N -4.14 5.32 -0.21 0.23 -1.08 -1.26 -4.90 116.67 110.62 3a8s s ASP 212 Ca 0.61 -0.66 0.01 0.00 -0.52 0.00 0.00 52.55 51.99 3a8s s ASP 212 Cb -0.13 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 3a8s s ASP 212 CO 0.53 -2.56 -0.08 -2.28 0.52 0.00 0.00 175.17 171.30 3a8s s HIS 213 N 9.35 2.38 -0.07 -5.34 5.65 -1.26 -2.13 115.29 123.87 3a8s s HIS 213 Ca 0.67 -1.65 0.03 0.00 0.25 0.00 0.00 55.06 54.35 3a8s s HIS 213 Cb -0.06 -1.59 -0.02 0.00 -1.18 0.00 0.00 32.58 29.72 3a8s s HIS 213 CO 0.00 -0.75 -0.15 0.54 -0.65 0.00 0.00 174.74 173.73 3a8s s VAL 214 N 1.40 2.94 -0.03 0.89 0.11 -0.83 -0.52 120.40 124.37 3a8s s VAL 214 Ca -0.04 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3a8s s VAL 214 Cb -0.18 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 3a8s s VAL 214 CO -0.07 0.57 0.14 0.00 -3.33 0.00 0.00 175.10 172.42 3a8s s GLN 216 N -1.69 0.01 0.08 0.00 0.74 -0.39 -0.19 119.66 118.22 3a8s s GLN 216 Ca 0.23 0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.84 3a8s s GLN 216 Cb -0.12 -0.20 -0.03 0.00 1.10 0.00 0.00 33.01 33.76 3a8s s GLN 216 CO 0.14 -0.11 -0.22 -0.98 -0.55 0.00 0.00 175.29 173.58 3a8s s ARG 217 N 0.71 1.28 0.01 1.67 1.70 -0.86 0.34 118.95 123.80 3a8s s ARG 217 Ca -0.06 -1.08 -0.06 0.00 -0.47 0.00 0.00 55.73 54.06 3a8s s ARG 217 Cb -0.09 -1.50 -0.00 0.00 -0.57 0.00 0.00 34.95 32.79 3a8s s ARG 217 CO -0.02 0.37 0.10 -1.83 -1.08 0.00 0.00 175.30 172.84 3a8s s GLU 218 N -1.59 0.45 -0.15 3.89 -1.05 -0.71 -1.16 118.70 118.39 3a8s s GLU 218 Ca 0.08 -0.45 -0.01 0.00 -0.15 0.00 0.00 54.97 54.44 3a8s s GLU 218 Cb -0.09 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 3a8s s GLU 218 CO 0.03 -0.10 -0.12 0.54 0.95 0.00 0.00 175.26 176.56 3a8s s VAL 219 N -1.42 3.03 -0.07 1.83 0.11 -0.21 -2.34 120.40 121.33 3a8s s VAL 219 Ca -0.15 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3a8s s VAL 219 Cb -0.08 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.51 3a8s s VAL 219 CO 0.01 0.51 -0.01 0.00 -3.33 0.00 0.00 175.10 172.27 3a8s s ALA 220 N 0.62 0.73 0.02 1.54 0.00 -0.64 -1.42 121.76 122.61 3a8s s ALA 220 Ca -0.07 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3a8s s ALA 220 Cb -0.15 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3a8s s ALA 220 CO 0.03 -0.35 -0.06 1.52 0.00 0.00 0.00 175.76 176.90 3a8s s TYR 221 N 1.69 0.54 0.26 0.00 -0.85 -0.88 -0.88 117.35 117.22 3a8s s TYR 221 Ca 0.01 -0.33 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 3a8s s TYR 221 Cb -0.13 -0.33 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 3a8s s TYR 221 CO -0.04 -0.06 0.38 0.00 -1.52 0.00 0.00 175.55 174.31 3a8s s ALA 222 N -0.88 3.98 0.30 9.51 0.00 -0.73 -0.34 121.76 133.60 3a8s s ALA 222 Ca -0.06 -1.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 3a8s s ALA 222 Cb -0.07 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.38 3a8s s ALA 222 CO 0.00 0.19 0.82 -3.38 0.00 0.00 0.00 175.76 173.39 3a8s s HIS 223 N -2.01 -0.02 0.28 0.00 -3.43 -0.19 -4.51 115.29 105.40 3a8s s HIS 223 Ca 0.36 -0.50 0.04 0.00 -0.80 0.00 0.00 55.06 54.15 3a8s s HIS 223 Cb -0.09 0.75 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 3a8s s HIS 223 CO 0.29 -1.28 0.21 -1.54 -2.00 0.00 0.00 174.74 170.42 3a8s s SER 224 N -3.05 1.09 -0.07 7.38 1.04 -1.26 -0.51 113.70 118.32 3a8s s SER 224 Ca 0.14 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.98 3a8s s SER 224 Cb -0.05 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3a8s s SER 224 CO 0.08 -0.96 -0.05 -0.69 0.98 0.00 0.00 173.24 172.60 3a8s s VAL 225 N -3.73 0.71 0.57 5.02 1.01 -1.26 -5.01 120.40 117.71 3a8s s VAL 225 Ca 0.39 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 3a8s s VAL 225 Cb 0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3a8s s VAL 225 CO 0.20 0.29 1.13 -2.16 0.00 0.00 0.00 175.10 174.56 3a8s s PRO 226 N 1.36 3.21 0.60 2.72 0.04 -1.26 -5.04 135.00 136.63 3a8s s PRO 226 Ca -0.03 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 3a8s s PRO 226 Cb -0.14 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.55 3a8s s PRO 226 CO -0.03 -0.95 0.82 2.89 0.04 0.00 0.00 177.00 179.77 3a8s n ARG 227 N -1.56 -0.44 0.00 4.56 1.85 -1.26 -5.31 116.66 114.50 3a8s n ARG 227 Ca 0.11 -1.65 0.08 0.00 -1.00 0.00 0.00 57.85 55.40 3a8s n ARG 227 Cb 0.51 -0.73 0.07 0.00 -1.05 0.00 0.00 32.46 31.26 3a8s n ARG 227 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73