#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8s s PRO 23 N 0.00 -0.22 0.06 0.00 0.02 -1.26 -4.97 135.00 128.63 3b8s s PRO 23 Ca 0.00 -0.34 -0.31 0.00 0.02 0.00 0.00 61.00 60.37 3b8s s PRO 23 Cb 0.00 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.71 3b8s s PRO 23 CO 0.00 -3.00 1.44 0.99 -0.33 0.00 0.00 177.00 176.10 3b8s s THR 24 N -3.58 3.44 0.23 0.99 2.01 0.76 -4.61 115.64 114.88 3b8s s THR 24 Ca 0.74 0.93 -0.31 0.00 0.31 0.00 0.00 61.69 63.36 3b8s s THR 24 Cb -0.05 -3.60 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 3b8s s THR 24 CO 0.54 0.03 1.44 0.00 -0.69 0.00 0.00 174.62 175.94 3b8s n ALA 25 N 4.82 1.21 -1.66 7.40 0.00 -1.26 -4.84 120.51 126.18 3b8s n ALA 25 Ca 0.13 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 3b8s n ALA 25 Cb 0.43 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.59 3b8s n ALA 25 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3b8s n PRO 26 N 2.21 1.69 -3.95 0.00 -0.02 -1.26 -4.87 135.00 128.80 3b8s n PRO 26 Ca 0.12 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.86 3b8s n PRO 26 Cb 0.31 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3b8s n PRO 26 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3b8s s SER 27 N -0.57 4.68 -0.16 2.55 0.15 -0.54 -4.49 113.70 115.32 3b8s s SER 27 Ca 0.61 -1.22 -0.29 0.00 0.70 0.00 0.00 55.95 55.74 3b8s s SER 27 Cb -0.56 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 3b8s s SER 27 CO 0.58 -0.22 1.31 -0.63 1.20 0.00 0.00 173.24 175.49 3b8s s ILE 28 N 1.24 4.19 -0.97 6.45 1.01 -1.26 -0.69 121.20 131.18 3b8s s ILE 28 Ca -0.05 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 3b8s s ILE 28 Cb -0.19 -3.94 0.08 0.00 0.01 0.00 0.00 42.46 38.42 3b8s s ILE 28 CO -0.03 -0.14 1.31 -0.62 0.00 0.00 0.00 174.94 175.46 3b8s s ASP 29 N 2.18 6.53 0.10 3.58 -1.08 -0.28 -4.91 116.67 122.80 3b8s s ASP 29 Ca 0.57 -1.63 -0.35 0.00 -0.52 0.00 0.00 52.55 50.62 3b8s s ASP 29 Cb -0.23 -2.50 -0.15 0.00 -1.46 0.00 0.00 42.92 38.58 3b8s s ASP 29 CO 0.17 -1.35 1.56 -0.03 0.52 0.00 0.00 175.17 176.03 3b8s h MET 30 N 9.44 -0.74 -0.24 4.34 1.85 -1.93 -1.46 114.93 126.20 3b8s h MET 30 Ca 0.15 0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.21 3b8s h MET 30 Cb 1.02 0.17 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 3b8s h MET 30 CO 1.30 -0.50 -0.20 -0.92 -0.40 0.00 0.00 176.91 176.19 3b8s h TYR 31 N -0.77 0.46 0.00 1.39 3.20 -1.93 -1.23 116.97 118.09 3b8s h TYR 31 Ca -0.01 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3b8s h TYR 31 Cb 0.77 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3b8s h TYR 31 CO -0.45 0.60 0.00 0.41 -1.64 0.00 0.00 178.16 177.08 3b8s n GLY 32 N -0.54 -1.20 1.71 1.82 0.00 -1.10 -3.43 105.19 102.45 3b8s n GLY 32 Ca -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 3b8s n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3b8s n SER 33 N -1.36 4.42 -3.72 1.61 7.64 -0.57 -4.63 113.62 117.02 3b8s n SER 33 Ca 0.10 -3.79 -0.25 0.00 1.01 0.00 0.00 58.87 55.94 3b8s n SER 33 Cb 0.23 -0.56 0.05 0.00 -1.01 0.00 0.00 64.21 62.93 3b8s n SER 33 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3b8s n ASN 34 N -0.91 -4.78 -2.83 6.43 5.15 -1.22 -1.54 115.26 115.56 3b8s n ASN 34 Ca 0.42 -0.67 -0.16 0.00 -0.60 0.00 0.00 54.58 53.57 3b8s n ASN 34 Cb 0.92 -4.49 -0.00 0.00 -0.53 0.00 0.00 39.78 35.67 3b8s n ASN 34 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3b8s n ASN 35 N -2.96 -3.68 -3.32 1.20 3.02 -0.53 -1.28 115.26 107.70 3b8s n ASN 35 Ca -0.04 -0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.24 3b8s n ASN 35 Cb 0.57 -3.10 0.01 0.00 -0.61 0.00 0.00 39.78 36.65 3b8s n ASN 35 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3b8s n LEU 36 N -3.19 -2.03 -4.38 3.41 4.77 -0.59 -4.92 117.00 110.07 3b8s n LEU 36 Ca -0.08 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 3b8s n LEU 36 Cb 0.58 -2.44 -0.12 0.00 -2.33 0.00 0.00 43.42 39.10 3b8s n LEU 36 CO 0.30 0.22 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.27 3b8s s GLN 37 N -5.99 3.05 0.34 3.23 -1.52 -0.41 -1.81 119.66 116.55 3b8s s GLN 37 Ca 0.40 -0.91 0.05 0.00 -1.95 0.00 0.00 55.36 52.95 3b8s s GLN 37 Cb -0.20 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 28.97 3b8s s GLN 37 CO 0.49 -0.53 0.04 -0.06 -0.25 0.00 0.00 175.29 174.98 3b8s s PHE 38 N 1.54 2.07 -0.13 0.91 0.40 0.00 -4.87 117.98 117.90 3b8s s PHE 38 Ca 0.03 -0.88 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 3b8s s PHE 38 Cb -0.18 -1.36 0.05 0.00 0.51 0.00 0.00 43.02 42.05 3b8s s PHE 38 CO 0.05 0.12 0.56 0.45 0.70 0.00 0.00 175.22 177.10 3b8s s SER 39 N -3.52 -0.54 0.43 1.36 0.15 -1.26 0.12 113.70 110.44 3b8s s SER 39 Ca 0.35 0.84 0.24 0.00 0.70 0.00 0.00 55.95 58.09 3b8s s SER 39 Cb 0.08 0.84 0.70 0.00 -1.71 0.00 0.00 66.02 65.93 3b8s s SER 39 CO 0.16 -0.36 1.73 0.11 1.20 0.00 0.00 173.24 176.08 3b8s h LYS 40 N 4.36 0.00 -5.19 5.44 1.57 -1.44 -3.35 116.57 117.96 3b8s h LYS 40 Ca -0.28 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.85 3b8s h LYS 40 Cb 1.16 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.22 3b8s h LYS 40 CO 0.26 0.17 -0.71 -1.50 -0.57 0.00 0.00 179.45 177.09 3b8s s ILE 41 N -3.41 3.48 -0.35 1.86 2.07 -1.26 -0.06 121.20 123.53 3b8s s ILE 41 Ca 0.03 -0.49 -0.15 0.00 -1.41 0.00 0.00 60.65 58.64 3b8s s ILE 41 Cb 0.08 -2.53 -0.01 0.00 0.13 0.00 0.00 42.46 40.13 3b8s s ILE 41 CO 0.65 0.47 0.33 -0.70 -1.91 0.00 0.00 174.94 173.78 3b8s s GLU 42 N 0.78 3.48 -0.12 3.50 2.12 0.68 -4.96 118.70 124.18 3b8s s GLU 42 Ca -0.02 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.79 3b8s s GLU 42 Cb -0.15 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.42 3b8s s GLU 42 CO 0.02 -0.54 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.48 3b8s s LEU 43 N 1.92 2.00 0.18 2.70 1.43 -1.26 -1.32 118.68 124.33 3b8s s LEU 43 Ca 0.10 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.35 3b8s s LEU 43 Cb -0.17 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.63 3b8s s LEU 43 CO 0.11 0.09 1.52 0.00 0.23 0.00 0.00 176.35 178.30 3b8s s ALA 44 N 0.70 3.72 -0.02 4.21 0.00 -0.47 -4.92 121.76 124.99 3b8s s ALA 44 Ca -0.11 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.27 3b8s s ALA 44 Cb -0.16 -3.60 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 3b8s s ALA 44 CO 0.02 -0.76 0.17 -1.33 0.00 0.00 0.00 175.76 173.86 3b8s n MET 45 N 3.55 0.55 0.00 0.00 2.81 -1.26 -4.74 117.12 118.03 3b8s n MET 45 Ca 0.12 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3b8s n MET 45 Cb 0.39 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3b8s n MET 45 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3b8s n GLU 46 N -1.86 1.75 -4.27 0.03 1.02 -1.26 -4.99 120.64 111.07 3b8s n GLU 46 Ca -0.03 -1.08 -0.14 0.00 -0.02 0.00 0.00 57.16 55.88 3b8s n GLU 46 Cb 0.29 -0.82 -0.10 0.00 -0.02 0.00 0.00 31.44 30.79 3b8s n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3b8s s THR 47 N -0.59 0.59 -0.09 2.62 -4.23 -1.26 -5.16 115.64 107.52 3b8s s THR 47 Ca 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3b8s s THR 47 Cb 0.00 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.53 3b8s s THR 47 CO 0.00 -0.27 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.89 3b8s s THR 48 N -3.73 0.64 0.00 3.99 2.01 -1.26 -4.97 115.64 112.32 3b8s s THR 48 Ca 0.30 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3b8s s THR 48 Cb 0.07 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.84 3b8s s THR 48 CO 0.08 0.30 0.00 -1.54 -0.69 0.00 0.00 174.62 172.77 3b8s n SER 49 N 5.04 0.00 -4.72 3.53 3.41 -1.26 -5.07 113.62 114.54 3b8s n SER 49 Ca -0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.17 3b8s n SER 49 Cb 0.50 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.54 3b8s n SER 49 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3b8s s GLY 50 N 0.00 2.46 0.19 5.00 0.00 -1.17 -4.17 107.32 109.63 3b8s s GLY 50 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 44.72 45.55 3b8s s GLY 50 CO 0.00 1.36 1.80 -1.82 0.00 0.00 0.00 173.10 174.44 3b8s h TYR 51 N -0.07 0.54 0.00 1.90 3.20 -1.16 -0.94 116.97 120.43 3b8s h TYR 51 Ca -0.48 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3b8s h TYR 51 Cb 1.30 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 3b8s h TYR 51 CO 0.46 0.27 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.27 3b8s h ASN 52 N 0.57 0.00 0.18 -2.11 2.35 -1.83 -0.50 115.58 114.22 3b8s h ASN 52 Ca 0.24 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.68 3b8s h ASN 52 Cb 0.13 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.51 3b8s h ASN 52 CO -0.15 0.07 -1.49 -0.78 -1.65 0.00 0.00 177.43 173.43 3b8s h ASP 53 N 0.00 0.58 0.82 5.81 -0.00 -1.69 -3.39 116.42 118.55 3b8s h ASP 53 Ca -0.00 -0.91 -0.24 0.00 -0.00 0.00 0.00 57.03 55.87 3b8s h ASP 53 Cb 0.35 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.48 3b8s h ASP 53 CO 0.01 1.68 -1.16 0.24 -0.00 0.00 0.00 179.24 180.01 3b8s h MET 54 N -0.06 0.10 -4.92 0.28 2.86 -1.01 -3.44 114.93 108.72 3b8s h MET 54 Ca -0.29 -0.17 -0.67 0.00 -2.06 0.00 0.00 59.70 56.51 3b8s h MET 54 Cb 1.96 0.06 -0.34 0.00 0.06 0.00 0.00 31.60 33.34 3b8s h MET 54 CO 0.16 1.04 -0.78 0.08 1.06 0.00 0.00 176.91 178.46 3b8s s VAL 55 N -2.68 2.49 -0.29 -2.22 1.01 -0.21 -1.36 120.40 117.14 3b8s s VAL 55 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3b8s s VAL 55 Cb 0.09 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.26 3b8s s VAL 55 CO 0.84 0.19 0.05 -0.54 0.00 0.00 0.00 175.10 175.64 3b8s s LYS 56 N 1.25 1.06 -0.09 2.72 1.02 -0.44 -4.58 119.74 120.68 3b8s s LYS 56 Ca -0.02 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 54.59 3b8s s LYS 56 Cb -0.17 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3b8s s LYS 56 CO -0.06 -0.85 0.75 -0.47 -0.92 0.00 0.00 175.35 173.79 3b8s s TYR 57 N 1.45 3.54 -0.07 3.18 5.04 -1.26 -0.23 117.35 128.99 3b8s s TYR 57 Ca 0.05 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3b8s s TYR 57 Cb -0.18 -2.88 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 3b8s s TYR 57 CO -0.16 -0.01 -0.05 -1.01 -1.34 0.00 0.00 175.55 172.98 3b8s s HIS 58 N 1.18 2.98 0.37 4.97 3.76 0.91 -4.99 115.29 124.47 3b8s s HIS 58 Ca 0.38 0.04 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 3b8s s HIS 58 Cb -0.18 -1.74 0.74 0.00 1.11 0.00 0.00 32.58 32.52 3b8s s HIS 58 CO 0.17 0.34 2.00 0.93 -0.85 0.00 0.00 174.74 177.33 3b8s h GLU 59 N 5.30 0.71 -5.35 1.40 4.39 -1.97 -3.42 114.58 115.63 3b8s h GLU 59 Ca -0.48 -0.04 -0.53 0.00 0.34 0.00 0.00 59.36 58.64 3b8s h GLU 59 Cb 1.18 -0.16 -0.30 0.00 -0.10 0.00 0.00 28.75 29.37 3b8s h GLU 59 CO 0.53 0.47 -0.83 -0.51 -1.16 0.00 0.00 179.01 177.51 3b8s s LEU 60 N -9.65 1.96 0.20 1.33 1.43 -1.26 -4.60 118.68 108.10 3b8s s LEU 60 Ca -0.09 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3b8s s LEU 60 Cb 0.18 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 3b8s s LEU 60 CO 0.76 0.17 1.25 0.00 0.23 0.00 0.00 176.35 178.76 3b8s s ALA 61 N -0.16 3.48 -0.35 4.21 0.00 0.60 -4.78 121.76 124.76 3b8s s ALA 61 Ca 0.01 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 3b8s s ALA 61 Cb -0.09 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3b8s s ALA 61 CO 0.01 -0.45 0.88 0.15 0.00 0.00 0.00 175.76 176.34 3b8s s LYS 62 N -0.29 3.87 -0.18 0.00 1.02 -1.26 -1.94 119.74 120.95 3b8s s LYS 62 Ca 0.54 0.57 -0.07 0.00 0.02 0.00 0.00 55.97 57.03 3b8s s LYS 62 Cb -0.35 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 3b8s s LYS 62 CO 0.38 -0.87 0.06 0.42 -0.92 0.00 0.00 175.35 174.43 3b8s s ILE 63 N 3.30 4.75 -0.26 2.17 -1.09 0.72 -4.64 121.20 126.16 3b8s s ILE 63 Ca 0.36 -0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.73 3b8s s ILE 63 Cb -0.13 -3.14 0.08 0.00 -1.58 0.00 0.00 42.46 37.69 3b8s s ILE 63 CO 0.17 0.46 0.04 -0.54 -1.23 0.00 0.00 174.94 173.83 3b8s s LYS 64 N 0.41 1.02 -0.24 2.79 1.02 -1.26 -1.27 119.74 122.21 3b8s s LYS 64 Ca 0.03 -0.96 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 3b8s s LYS 64 Cb -0.12 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3b8s s LYS 64 CO 0.00 -0.79 -0.02 0.08 -0.92 0.00 0.00 175.35 173.70 3b8s s VAL 65 N 1.55 3.37 -0.06 3.17 1.01 -0.44 -4.73 120.40 124.29 3b8s s VAL 65 Ca 0.03 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 3b8s s VAL 65 Cb -0.18 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3b8s s VAL 65 CO -0.14 0.30 0.61 -0.54 0.00 0.00 0.00 175.10 175.33 3b8s s LYS 66 N 1.45 4.38 0.05 2.72 1.02 -1.26 0.99 119.74 129.08 3b8s s LYS 66 Ca 0.04 0.73 0.03 0.00 0.02 0.00 0.00 55.97 56.79 3b8s s LYS 66 Cb -0.15 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 3b8s s LYS 66 CO -0.02 0.19 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.91 3b8s s PHE 67 N 0.41 0.89 0.03 3.18 -0.12 0.62 -1.12 117.98 121.87 3b8s s PHE 67 Ca 0.33 -0.44 0.06 0.00 -0.05 0.00 0.00 56.93 56.82 3b8s s PHE 67 Cb -0.17 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 3b8s s PHE 67 CO 0.16 -0.02 -0.13 0.54 -0.05 0.00 0.00 175.22 175.72 3b8s s ASN 68 N -1.47 4.15 -0.46 1.98 4.22 0.14 -1.58 114.94 121.91 3b8s s ASN 68 Ca -0.05 -0.31 0.08 0.00 -2.14 0.00 0.00 52.86 50.43 3b8s s ASN 68 Cb -0.09 -0.81 0.26 0.00 1.28 0.00 0.00 41.25 41.89 3b8s s ASN 68 CO 0.01 0.26 0.62 0.00 -2.04 0.00 0.00 177.10 175.95 3b8s n GLN 69 N 1.51 1.33 0.12 3.55 6.02 -0.01 -1.47 117.38 128.43 3b8s n GLN 69 Ca -0.16 -3.70 0.05 0.00 -0.01 0.00 0.00 57.00 53.19 3b8s n GLN 69 Cb 0.52 -1.58 0.51 0.00 1.02 0.00 0.00 30.24 30.71 3b8s n GLN 69 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3b8s h TRP 70 N 3.92 0.27 -3.44 1.08 4.06 -1.97 -3.42 115.95 116.46 3b8s h TRP 70 Ca 0.11 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.71 3b8s h TRP 70 Cb 0.81 -0.09 -0.16 0.00 -1.00 0.00 0.00 29.16 28.72 3b8s h TRP 70 CO 0.49 0.20 -0.73 -1.12 -3.56 0.00 0.00 178.44 173.72 3b8s s SER 71 N -6.87 1.86 0.13 -3.49 0.01 -1.26 -5.03 113.70 99.06 3b8s s SER 71 Ca -0.07 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.26 3b8s s SER 71 Cb 0.17 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.37 3b8s s SER 71 CO 0.71 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.70 3b8s n GLY 72 N 0.07 -1.91 3.80 3.44 0.00 -1.26 -4.78 105.19 104.55 3b8s n GLY 72 Ca -0.12 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 3b8s n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b8s s THR 73 N 0.00 4.37 -0.32 2.61 -4.23 -1.26 -4.91 115.64 111.90 3b8s s THR 73 Ca 0.00 1.58 0.21 0.00 -1.18 0.00 0.00 61.69 62.30 3b8s s THR 73 Cb 0.00 -3.92 -0.30 0.00 1.34 0.00 0.00 72.50 69.62 3b8s s THR 73 CO 0.00 0.14 0.59 -1.54 -0.54 0.00 0.00 174.62 173.27 3b8s n SER 74 N 0.55 0.38 0.00 3.99 3.41 -1.26 -0.17 113.62 120.51 3b8s n SER 74 Ca 0.01 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3b8s n SER 74 Cb 0.51 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.14 3b8s n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b8s n GLY 75 N 1.35 -2.02 0.35 5.00 0.00 -1.26 -4.74 105.19 103.86 3b8s n GLY 75 Ca -0.02 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 3b8s n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b8s n ASP 76 N 0.82 1.80 -4.24 1.61 8.00 -0.11 -4.70 116.55 119.73 3b8s n ASP 76 Ca 0.00 0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 3b8s n ASP 76 Cb 0.00 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 3b8s n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3b8s s THR 77 N -2.28 1.39 0.10 -3.53 -4.23 -0.86 -0.53 115.64 105.70 3b8s s THR 77 Ca -0.21 -1.55 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 3b8s s THR 77 Cb 0.07 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 3b8s s THR 77 CO 0.29 -0.26 -0.24 -0.72 -0.54 0.00 0.00 174.62 173.15 3b8s s TYR 78 N -1.60 2.37 -0.04 3.99 -0.85 -0.23 -0.18 117.35 120.81 3b8s s TYR 78 Ca 0.05 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.31 3b8s s TYR 78 Cb -0.08 -1.32 -0.01 0.00 0.38 0.00 0.00 41.96 40.93 3b8s s TYR 78 CO 0.03 0.30 -0.25 -0.80 -1.52 0.00 0.00 175.55 173.31 3b8s s ASN 79 N -1.85 2.99 -0.14 -0.18 0.01 0.37 -2.18 114.94 113.96 3b8s s ASN 79 Ca 0.14 -0.48 -0.04 0.00 -0.71 0.00 0.00 52.86 51.77 3b8s s ASN 79 Cb -0.10 -0.63 -0.03 0.00 0.41 0.00 0.00 41.25 40.90 3b8s s ASN 79 CO 0.06 0.27 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.21 3b8s s VAL 80 N -0.33 4.09 -0.07 1.60 1.01 -0.48 0.04 120.40 126.27 3b8s s VAL 80 Ca 0.02 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3b8s s VAL 80 Cb -0.12 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3b8s s VAL 80 CO 0.02 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 175.08 3b8s s TYR 81 N 0.10 2.38 -0.21 5.22 1.51 0.49 -0.75 117.35 126.09 3b8s s TYR 81 Ca 0.01 -0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 55.22 3b8s s TYR 81 Cb -0.13 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3b8s s TYR 81 CO 0.02 -0.29 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.08 3b8s s PHE 82 N 0.06 2.97 -1.52 2.71 0.40 0.48 -0.86 117.98 122.21 3b8s s PHE 82 Ca -0.09 -0.84 -0.14 0.00 -0.60 0.00 0.00 56.93 55.26 3b8s s PHE 82 Cb -0.15 -2.09 0.09 0.00 0.51 0.00 0.00 43.02 41.38 3b8s s PHE 82 CO 0.05 -0.48 0.85 -0.25 0.70 0.00 0.00 175.22 176.09 3b8s n ASP 83 N 4.67 -4.49 0.00 1.36 8.00 0.54 -1.20 116.55 125.42 3b8s n ASP 83 Ca -0.18 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3b8s n ASP 83 Cb 0.51 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 3b8s n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8s n GLY 84 N -1.54 1.37 3.41 0.44 0.00 -1.26 -5.02 105.19 102.58 3b8s n GLY 84 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3b8s n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 85 N -3.30 3.50 0.34 1.61 1.01 -0.35 -5.03 120.40 118.19 3b8s s VAL 85 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3b8s s VAL 85 Cb 0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 36.38 33.74 3b8s s VAL 85 CO 0.00 0.48 1.51 -0.75 0.00 0.00 0.00 175.10 176.34 3b8s s LYS 86 N 0.64 4.13 0.00 2.72 2.20 -1.26 -0.38 119.74 127.79 3b8s s LYS 86 Ca -0.04 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 3b8s s LYS 86 Cb -0.15 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3b8s s LYS 86 CO 0.02 -0.54 0.00 1.33 -0.36 0.00 0.00 175.35 175.80 3b8s n VAL 87 N 1.07 0.00 -3.53 4.02 0.24 0.07 -4.84 118.33 115.35 3b8s n VAL 87 Ca 0.03 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 3b8s n VAL 87 Cb 0.39 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 3b8s n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b8s s ALA 88 N -0.89 -1.39 0.12 2.33 0.00 -1.19 -4.91 121.76 115.84 3b8s s ALA 88 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 3b8s s ALA 88 Cb 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3b8s s ALA 88 CO 0.00 -0.78 0.09 0.95 0.00 0.00 0.00 175.76 176.01 3b8s s THR 89 N -3.79 0.12 -0.91 0.00 -4.23 -1.26 -1.39 115.64 104.18 3b8s s THR 89 Ca 0.03 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3b8s s THR 89 Cb -0.01 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.92 3b8s s THR 89 CO -0.10 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 3b8s n GLY 90 N -0.08 -1.29 3.52 3.99 0.00 -0.92 -4.99 105.19 105.41 3b8s n GLY 90 Ca -0.07 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3b8s n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8s s ALA 91 N -1.15 2.79 -0.06 4.61 0.00 -1.26 -1.07 121.76 125.63 3b8s s ALA 91 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 3b8s s ALA 91 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3b8s s ALA 91 CO 0.00 0.59 0.73 0.42 0.00 0.00 0.00 175.76 177.50 3b8s s ILE 92 N -0.93 5.02 -0.85 0.00 1.01 0.31 -4.82 121.20 120.94 3b8s s ILE 92 Ca 0.15 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.32 3b8s s ILE 92 Cb -0.11 -4.07 0.30 0.00 0.01 0.00 0.00 42.46 38.60 3b8s s ILE 92 CO 0.06 0.25 1.28 0.35 0.00 0.00 0.00 174.94 176.87 3b8s n THR 93 N 3.76 4.34 -3.04 2.92 -2.24 -1.26 -4.86 114.28 113.89 3b8s n THR 93 Ca -0.01 -5.71 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 3b8s n THR 93 Cb 0.51 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 3b8s n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8s n GLY 94 N 0.49 0.29 0.25 3.38 0.00 -1.26 -3.91 105.19 104.42 3b8s n GLY 94 Ca 0.34 -1.15 0.14 0.00 0.00 0.00 0.00 46.02 45.34 3b8s n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b8s n SER 95 N 2.43 0.91 -3.90 1.61 3.41 -1.26 -4.75 113.62 112.08 3b8s n SER 95 Ca 0.00 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.45 3b8s n SER 95 Cb 0.00 0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 63.82 3b8s n SER 95 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3b8s s GLN 96 N -2.37 1.17 -0.02 4.33 -0.21 -1.25 -0.83 119.66 120.48 3b8s s GLN 96 Ca 0.30 -0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.53 3b8s s GLN 96 Cb 0.20 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 33.00 3b8s s GLN 96 CO 0.46 -0.17 -0.06 0.99 -2.12 0.00 0.00 175.29 174.39 3b8s s THR 97 N 1.34 0.53 -0.32 -0.19 2.01 -0.62 -4.29 115.64 114.10 3b8s s THR 97 Ca -0.03 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3b8s s THR 97 Cb -0.14 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.92 3b8s s THR 97 CO -0.03 0.17 0.11 -0.89 -0.69 0.00 0.00 174.62 173.29 3b8s s THR 98 N 0.14 4.05 -0.67 -0.82 2.01 -1.26 -0.27 115.64 118.81 3b8s s THR 98 Ca -0.01 -0.81 -0.24 0.00 0.31 0.00 0.00 61.69 60.94 3b8s s THR 98 Cb -0.06 -3.16 0.05 0.00 0.01 0.00 0.00 72.50 69.34 3b8s s THR 98 CO -0.00 -0.03 1.06 0.00 -0.69 0.00 0.00 174.62 174.96 3b8s s ALA 99 N 1.49 3.01 -0.31 7.40 0.00 0.28 -4.90 121.76 128.72 3b8s s ALA 99 Ca 0.02 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 3b8s s ALA 99 Cb -0.18 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 3b8s s ALA 99 CO 0.03 -2.88 0.20 -1.12 0.00 0.00 0.00 175.76 171.99 3b8s s SER 100 N 3.58 5.95 0.31 0.00 0.01 -1.26 -1.33 113.70 120.97 3b8s s SER 100 Ca 0.27 -0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.16 3b8s s SER 100 Cb -0.13 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.00 3b8s s SER 100 CO 0.13 -0.15 0.58 0.72 0.41 0.00 0.00 173.24 174.93 3b8s s PHE 101 N 1.72 0.44 0.03 2.43 -0.71 -0.40 -5.02 117.98 116.47 3b8s s PHE 101 Ca 0.06 -0.85 0.06 0.00 -1.04 0.00 0.00 56.93 55.17 3b8s s PHE 101 Cb -0.17 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 3b8s s PHE 101 CO 0.10 -1.19 -0.18 -1.21 -1.34 0.00 0.00 175.22 171.39 3b8s s GLU 102 N -3.35 1.28 -0.10 1.99 2.02 -1.26 -0.20 118.70 119.09 3b8s s GLU 102 Ca 0.22 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 3b8s s GLU 102 Cb -0.02 -1.33 0.04 0.00 0.10 0.00 0.00 34.13 32.92 3b8s s GLU 102 CO 0.12 0.34 0.23 -0.47 0.02 0.00 0.00 175.26 175.51 3b8s s TYR 103 N -0.70 -0.30 -2.66 1.61 5.04 -0.82 -4.93 117.35 114.59 3b8s s TYR 103 Ca 0.06 0.72 0.27 0.00 -2.44 0.00 0.00 57.07 55.68 3b8s s TYR 103 Cb -0.08 0.05 0.78 0.00 0.35 0.00 0.00 41.96 43.05 3b8s s TYR 103 CO 0.01 -0.20 1.59 0.41 -1.34 0.00 0.00 175.55 176.02 3b8s n GLY 104 N 3.93 0.32 3.22 8.97 0.00 -1.26 -0.29 105.19 120.07 3b8s n GLY 104 Ca -0.22 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3b8s n GLY 104 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3b8s s GLN 105 N -2.00 3.09 0.70 1.61 2.00 -1.26 -4.85 119.66 118.95 3b8s s GLN 105 Ca 0.35 -0.83 -0.12 0.00 -2.00 0.00 0.00 55.36 52.76 3b8s s GLN 105 Cb 0.21 -2.44 0.01 0.00 0.80 0.00 0.00 33.01 31.58 3b8s s GLN 105 CO 0.32 0.07 1.07 0.20 -0.50 0.00 0.00 175.29 176.45 3b8s s GLY 106 N 0.63 1.75 0.00 2.59 0.00 -1.26 -4.90 107.32 106.12 3b8s s GLY 106 Ca -0.11 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.79 3b8s s GLY 106 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.23 3b8s n GLY 107 N -1.66 0.99 3.64 0.20 0.00 0.10 -4.84 105.19 103.62 3b8s n GLY 107 Ca 0.08 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3b8s n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b8s s LEU 108 N 0.00 3.57 0.03 0.99 1.43 -1.26 -0.63 118.68 122.81 3b8s s LEU 108 Ca 0.00 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3b8s s LEU 108 Cb 0.00 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3b8s s LEU 108 CO 0.00 0.31 -0.06 -0.31 0.23 0.00 0.00 176.35 176.52 3b8s s TYR 109 N -0.44 0.51 -0.59 0.29 2.02 -0.45 -4.98 117.35 113.70 3b8s s TYR 109 Ca 0.08 -0.47 -0.23 0.00 -0.37 0.00 0.00 57.07 56.08 3b8s s TYR 109 Cb -0.12 -0.32 0.05 0.00 -0.40 0.00 0.00 41.96 41.17 3b8s s TYR 109 CO 0.02 -0.11 0.93 -0.65 -1.57 0.00 0.00 175.55 174.17 3b8s s GLN 110 N -1.42 3.23 -0.16 -0.62 -1.52 -1.26 -0.21 119.66 117.70 3b8s s GLN 110 Ca -0.11 -0.53 -0.12 0.00 -1.95 0.00 0.00 55.36 52.65 3b8s s GLN 110 Cb -0.09 -4.13 -0.05 0.00 -0.22 0.00 0.00 33.01 28.52 3b8s s GLN 110 CO -0.00 -1.60 0.25 1.41 -0.25 0.00 0.00 175.29 175.10 3b8s s MET 111 N 3.92 4.15 -0.03 2.91 -2.45 0.11 -0.34 119.30 127.58 3b8s s MET 111 Ca 0.26 0.03 0.06 0.00 -1.25 0.00 0.00 55.69 54.79 3b8s s MET 111 Cb -0.15 -3.39 -0.01 0.00 1.25 0.00 0.00 34.83 32.53 3b8s s MET 111 CO 0.15 0.32 -0.22 -1.21 1.05 0.00 0.00 175.02 175.12 3b8s s GLU 112 N 0.22 1.89 -0.12 4.11 2.02 -0.04 -1.12 118.70 125.66 3b8s s GLU 112 Ca 0.15 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3b8s s GLU 112 Cb -0.13 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3b8s s GLU 112 CO 0.03 0.43 -0.13 0.42 0.02 0.00 0.00 175.26 176.04 3b8s s ILE 113 N -0.40 3.08 -0.10 -1.63 1.01 -1.26 -0.38 121.20 121.52 3b8s s ILE 113 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3b8s s ILE 113 Cb -0.10 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3b8s s ILE 113 CO 0.00 0.53 -0.18 -0.70 0.00 0.00 0.00 174.94 174.59 3b8s s GLU 114 N 0.26 3.08 -0.13 2.79 2.12 0.11 -0.44 118.70 126.48 3b8s s GLU 114 Ca -0.09 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 3b8s s GLU 114 Cb -0.15 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 3b8s s GLU 114 CO 0.05 0.28 0.00 0.00 -0.54 0.00 0.00 175.26 175.05 3b8s s ALA 115 N 0.14 3.21 0.04 6.30 0.00 -0.60 -0.47 121.76 130.38 3b8s s ALA 115 Ca -0.09 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3b8s s ALA 115 Cb -0.16 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3b8s s ALA 115 CO 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 175.76 176.05 3b8s n ASP 117 N 1.78 0.00 0.01 0.00 5.68 -0.89 -0.94 116.55 122.19 3b8s n ASP 117 Ca -0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.09 3b8s n ASP 117 Cb 0.55 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.80 3b8s n ASP 117 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b8s h ALA 118 N 1.12 1.28 0.11 2.12 0.00 -2.02 -3.20 119.26 118.68 3b8s h ALA 118 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 3b8s h ALA 118 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3b8s h ALA 118 CO 0.00 0.48 -1.20 0.00 0.00 0.00 0.00 179.25 178.52 3b8s h THR 119 N 0.47 1.44 0.00 0.00 1.03 -1.99 -3.50 112.91 110.36 3b8s h THR 119 Ca 0.09 -2.85 0.00 0.00 -0.01 0.00 0.00 66.41 63.64 3b8s h THR 119 Cb 0.44 2.82 0.00 0.00 -1.07 0.00 0.00 68.15 70.35 3b8s h THR 119 CO 0.02 0.84 0.00 0.61 -0.01 0.00 0.00 175.52 176.98 3b8s n GLY 120 N 1.41 -1.34 3.31 2.99 0.00 -1.21 -4.56 105.19 105.78 3b8s n GLY 120 Ca -0.09 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 3b8s n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8s s SER 122 N -1.39 3.67 0.31 0.00 0.01 0.09 -4.91 113.70 111.48 3b8s s SER 122 Ca 0.10 -1.08 -0.25 0.00 1.31 0.00 0.00 55.95 56.02 3b8s s SER 122 Cb -0.10 -1.14 -0.10 0.00 0.21 0.00 0.00 66.02 64.90 3b8s s SER 122 CO 0.03 -0.22 0.91 -0.54 0.41 0.00 0.00 173.24 173.83 3b8s s LYS 123 N 1.44 4.54 0.73 12.44 1.02 -1.26 -1.55 119.74 137.09 3b8s s LYS 123 Ca -0.05 1.27 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 3b8s s LYS 123 Cb -0.18 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3b8s s LYS 123 CO -0.07 0.30 1.09 -1.54 -0.92 0.00 0.00 175.35 174.21 3b8s s SER 124 N -1.62 5.17 0.40 2.83 1.04 0.42 -4.80 113.70 117.15 3b8s s SER 124 Ca 0.49 1.24 -0.26 0.00 0.48 0.00 0.00 55.95 57.91 3b8s s SER 124 Cb -0.18 -2.04 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 3b8s s SER 124 CO 0.23 -1.53 1.26 0.00 0.98 0.00 0.00 173.24 174.18 3b8s s ALA 125 N -3.26 3.23 0.36 5.32 0.00 -1.26 -4.60 121.76 121.54 3b8s s ALA 125 Ca 0.59 1.15 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 3b8s s ALA 125 Cb -0.12 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3b8s s ALA 125 CO 0.53 -0.73 1.41 -1.25 0.00 0.00 0.00 175.76 175.71 3b8s s PRO 126 N -2.24 4.22 0.02 0.00 0.04 -1.26 -4.77 135.00 131.00 3b8s s PRO 126 Ca 0.57 2.41 0.02 0.00 0.04 0.00 0.00 61.00 64.04 3b8s s PRO 126 Cb -0.36 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 3b8s s PRO 126 CO 0.46 -0.38 -0.07 0.54 0.04 0.00 0.00 177.00 177.59 3b8s s VAL 127 N -1.12 0.55 -0.06 -0.36 0.11 -0.27 -4.92 120.40 114.33 3b8s s VAL 127 Ca 0.51 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 3b8s s VAL 127 Cb -0.43 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3b8s s VAL 127 CO 0.58 -0.06 1.18 -0.70 -3.33 0.00 0.00 175.10 172.78 3b8s s GLU 128 N -0.74 4.36 -0.09 1.54 2.12 -1.26 0.10 118.70 124.73 3b8s s GLU 128 Ca -0.02 1.65 -0.02 0.00 0.36 0.00 0.00 54.97 56.94 3b8s s GLU 128 Cb -0.05 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 3b8s s GLU 128 CO 0.00 -0.44 -0.02 -1.50 -0.54 0.00 0.00 175.26 172.77 3b8s s ILE 129 N 2.22 4.15 -0.20 -3.70 2.07 0.71 -4.93 121.20 121.52 3b8s s ILE 129 Ca 0.55 -0.30 -0.06 0.00 -1.41 0.00 0.00 60.65 59.43 3b8s s ILE 129 Cb -0.24 -2.74 -0.03 0.00 0.13 0.00 0.00 42.46 39.58 3b8s s ILE 129 CO 0.21 0.59 0.02 -0.89 -1.91 0.00 0.00 174.94 172.96 3b8s s THR 130 N -0.72 4.17 -0.34 4.00 2.01 -0.75 -1.34 115.64 122.67 3b8s s THR 130 Ca 0.11 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3b8s s THR 130 Cb -0.12 -2.89 0.09 0.00 0.01 0.00 0.00 72.50 69.60 3b8s s THR 130 CO 0.02 0.43 0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 3b8s s ILE 131 N 0.90 2.57 0.28 1.82 1.01 0.20 -0.82 121.20 127.16 3b8s s ILE 131 Ca 0.02 -2.09 -0.29 0.00 0.00 0.00 0.00 60.65 58.28 3b8s s ILE 131 Cb -0.14 -2.77 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 3b8s s ILE 131 CO 0.02 -0.50 1.30 0.00 0.00 0.00 0.00 174.94 175.76 3b8s s ALA 132 N 1.02 3.51 0.05 9.38 0.00 0.12 0.02 121.76 135.85 3b8s s ALA 132 Ca 0.06 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 3b8s s ALA 132 Cb -0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3b8s s ALA 132 CO -0.06 -0.57 -0.04 0.34 0.00 0.00 0.00 175.76 175.43 3b8s s ASP 133 N -0.25 0.58 0.00 0.00 2.15 -1.26 -1.11 116.67 116.78 3b8s s ASP 133 Ca 0.51 -0.88 0.19 0.00 0.43 0.00 0.00 52.55 52.80 3b8s s ASP 133 Cb -0.38 0.15 1.15 0.00 -0.30 0.00 0.00 42.92 43.55 3b8s s ASP 133 CO 0.47 -0.50 1.62 0.35 -0.17 0.00 0.00 175.17 176.94 3b8s n THR 134 N 0.44 0.00 1.00 1.71 -2.24 -1.26 -1.18 114.28 112.74 3b8s n THR 134 Ca -0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3b8s n THR 134 Cb 0.59 -0.47 0.36 0.00 -2.10 0.00 0.00 70.33 68.71 3b8s n THR 134 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3b8s n ASP 135 N -0.87 0.36 -0.17 3.42 5.75 -1.26 -1.48 116.55 122.28 3b8s n ASP 135 Ca 0.15 -0.03 -0.02 0.00 -0.01 0.00 0.00 54.79 54.88 3b8s n ASP 135 Cb 0.07 0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 3b8s n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b8s n GLY 136 N 1.50 0.56 0.33 6.12 0.00 -0.32 -4.77 105.19 108.61 3b8s n GLY 136 Ca 0.06 -0.80 0.16 0.00 0.00 0.00 0.00 46.02 45.44 3b8s n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b8s h SER 137 N 0.00 0.00 -0.05 1.61 4.64 -1.91 0.43 113.55 118.27 3b8s h SER 137 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3b8s h SER 137 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3b8s h SER 137 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3b8s n HIS 138 N -4.18 0.06 -4.54 4.77 1.44 -1.26 -4.66 115.22 106.85 3b8s n HIS 138 Ca 0.03 -0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 3b8s n HIS 138 Cb 0.37 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.37 3b8s n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3b8s s LEU 139 N -1.77 2.90 0.57 2.39 1.43 0.14 -4.83 118.68 119.51 3b8s s LEU 139 Ca 0.36 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 3b8s s LEU 139 Cb 0.18 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3b8s s LEU 139 CO 0.29 0.26 1.02 -0.54 0.23 0.00 0.00 176.35 177.61 3b8s s LYS 140 N -1.49 3.62 0.24 1.70 -0.14 -1.26 -4.93 119.74 117.48 3b8s s LYS 140 Ca 0.16 1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 55.47 3b8s s LYS 140 Cb -0.11 -2.08 -0.14 0.00 -1.68 0.00 0.00 37.83 33.81 3b8s s LYS 140 CO 0.07 -0.55 1.15 -2.30 -0.76 0.00 0.00 175.35 172.96 3b8s n PRO 141 N -2.01 1.43 -1.90 -1.68 -0.02 -1.26 -4.72 135.00 124.83 3b8s n PRO 141 Ca 0.07 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 3b8s n PRO 141 Cb 0.54 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3b8s n PRO 141 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3b8s s LEU 142 N 0.42 4.36 -0.11 2.45 2.96 -0.72 -4.90 118.68 123.14 3b8s s LEU 142 Ca 0.66 2.88 -0.28 0.00 -0.22 0.00 0.00 54.13 57.17 3b8s s LEU 142 Cb -0.74 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 42.28 3b8s s LEU 142 CO 0.55 -0.78 0.96 -0.89 -1.32 0.00 0.00 176.35 174.87 3b8s s THR 143 N -0.69 4.82 0.32 3.68 2.01 -1.26 -4.93 115.64 119.59 3b8s s THR 143 Ca 0.55 1.93 -0.05 0.00 0.31 0.00 0.00 61.69 64.44 3b8s s THR 143 Cb -0.44 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 67.75 3b8s s THR 143 CO 0.54 0.03 0.59 -0.04 -0.69 0.00 0.00 174.62 175.05 3b8s s MET 144 N 1.93 3.63 -0.40 4.92 1.00 -1.26 -4.83 119.30 124.28 3b8s s MET 144 Ca 0.46 0.03 0.07 0.00 0.00 0.00 0.00 55.69 56.25 3b8s s MET 144 Cb -0.18 -2.60 0.22 0.00 0.00 0.00 0.00 34.83 32.27 3b8s s MET 144 CO 0.17 0.15 0.48 -1.71 0.00 0.00 0.00 175.02 174.11 3b8s n ASN 145 N -1.17 -0.20 -4.83 3.03 5.15 0.46 -5.03 115.26 112.67 3b8s n ASN 145 Ca -0.01 -2.61 -0.37 0.00 -0.60 0.00 0.00 54.58 50.99 3b8s n ASN 145 Cb 0.54 -0.50 -0.06 0.00 -0.53 0.00 0.00 39.78 39.23 3b8s n ASN 145 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3b8s s VAL 146 N -0.69 5.35 -0.14 3.44 1.01 -1.25 -4.07 120.40 124.05 3b8s s VAL 146 Ca 0.34 0.42 -0.35 0.00 0.00 0.00 0.00 61.98 62.39 3b8s s VAL 146 Cb 0.13 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 3b8s s VAL 146 CO -0.14 0.55 1.88 -0.67 0.00 0.00 0.00 175.10 176.72 3b8s n ASP 147 N 2.36 3.21 0.00 3.32 -0.08 -1.26 -4.84 116.55 119.25 3b8s n ASP 147 Ca -0.17 0.95 0.02 0.00 -1.51 0.00 0.00 54.79 54.08 3b8s n ASP 147 Cb 0.54 -1.33 0.07 0.00 2.34 0.00 0.00 41.12 42.74 3b8s n ASP 147 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3b8s n PRO 148 N 6.57 0.01 0.26 -0.67 -0.04 -1.26 -1.40 135.00 138.46 3b8s n PRO 148 Ca 0.24 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 64.23 3b8s n PRO 148 Cb 0.27 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 32.91 3b8s n PRO 148 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3b8s h ASN 149 N 0.00 0.00 -2.64 3.54 -1.24 -1.88 -3.40 115.58 109.95 3b8s h ASN 149 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 3b8s h ASN 149 Cb 0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3b8s h ASN 149 CO 0.00 0.10 1.05 0.20 -1.29 0.00 0.00 177.43 177.50 3b8s s ASN 150 N -6.56 6.66 0.50 1.15 0.01 -0.49 -4.75 114.94 111.46 3b8s s ASN 150 Ca -0.04 2.31 -0.01 0.00 -0.71 0.00 0.00 52.86 54.41 3b8s s ASN 150 Cb 0.15 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.28 3b8s s ASN 150 CO 0.63 -0.91 0.74 -0.54 -1.51 0.00 0.00 177.10 175.51 3b8s s LYS 151 N 3.60 2.89 -0.04 -0.60 1.02 -1.26 -5.02 119.74 120.32 3b8s s LYS 151 Ca 0.74 -0.49 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 3b8s s LYS 151 Cb -0.35 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3b8s s LYS 151 CO 0.31 -0.47 0.32 -1.12 -0.92 0.00 0.00 175.35 173.47 3b8s s SER 152 N -4.29 6.67 0.20 2.83 0.01 -1.26 -4.91 113.70 112.95 3b8s s SER 152 Ca 0.52 0.80 0.02 0.00 1.31 0.00 0.00 55.95 58.60 3b8s s SER 152 Cb -0.10 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 3b8s s SER 152 CO 0.39 0.34 0.02 -0.31 0.41 0.00 0.00 173.24 174.10 3b8s s TYR 153 N -1.01 1.36 -0.34 2.43 1.51 -1.26 -5.06 117.35 114.98 3b8s s TYR 153 Ca 0.21 -1.03 0.08 0.00 -1.01 0.00 0.00 57.07 55.31 3b8s s TYR 153 Cb -0.15 -0.78 0.45 0.00 -0.11 0.00 0.00 41.96 41.36 3b8s s TYR 153 CO 0.10 -0.20 1.15 0.09 -1.11 0.00 0.00 175.55 175.58 3b8s n ASN 154 N -0.33 4.55 -4.75 2.29 3.02 -1.26 -5.07 115.26 113.71 3b8s n ASN 154 Ca -0.05 -3.61 -0.41 0.00 -0.03 0.00 0.00 54.58 50.48 3b8s n ASN 154 Cb 0.64 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3b8s n ASN 154 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3b8s s THR 155 N -4.83 2.77 -0.39 3.41 2.01 -1.26 -4.89 115.64 112.46 3b8s s THR 155 Ca 0.48 0.69 -0.43 0.00 0.31 0.00 0.00 61.69 62.74 3b8s s THR 155 Cb 0.40 -3.44 -0.17 0.00 0.01 0.00 0.00 72.50 69.30 3b8s s THR 155 CO -0.04 0.13 1.73 -0.67 -0.69 0.00 0.00 174.62 175.07 3b8s n ASP 156 N 1.73 1.82 0.18 3.53 -0.08 -1.26 -4.82 116.55 117.65 3b8s n ASP 156 Ca 0.04 1.08 0.13 0.00 -1.51 0.00 0.00 54.79 54.52 3b8s n ASP 156 Cb 0.41 -1.03 0.64 0.00 2.34 0.00 0.00 41.12 43.49 3b8s n ASP 156 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3b8s h PRO 157 N 6.61 0.00 0.00 -0.67 0.13 -2.03 -1.78 132.00 134.25 3b8s h PRO 157 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3b8s h PRO 157 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3b8s h PRO 157 CO 0.98 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 3b8s n SER 158 N -2.37 0.74 -4.71 1.44 3.41 -1.26 -4.79 113.62 106.08 3b8s n SER 158 Ca -0.01 0.61 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 3b8s n SER 158 Cb 0.09 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 63.20 3b8s n SER 158 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b8s s ILE 159 N -3.18 4.98 -0.01 -1.33 1.01 -0.67 -4.98 121.20 117.02 3b8s s ILE 159 Ca 0.08 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 3b8s s ILE 159 Cb 0.11 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3b8s s ILE 159 CO 0.51 0.19 1.46 -0.69 0.00 0.00 0.00 174.94 176.42 3b8s s VAL 160 N 1.09 3.64 -0.37 2.92 1.01 -0.39 -4.88 120.40 123.43 3b8s s VAL 160 Ca 0.41 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.39 3b8s s VAL 160 Cb -0.18 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.68 3b8s s VAL 160 CO 0.19 -0.02 0.14 -0.04 0.00 0.00 0.00 175.10 175.37 3b8s s MET 161 N 2.76 1.10 0.31 2.72 -1.94 -1.24 -0.54 119.30 122.47 3b8s s MET 161 Ca 0.66 -1.59 0.09 0.00 -1.71 0.00 0.00 55.69 53.14 3b8s s MET 161 Cb -0.32 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 3b8s s MET 161 CO 0.27 -1.04 0.04 0.20 -0.01 0.00 0.00 175.02 174.48 3b8s s GLY 162 N 0.99 1.87 0.18 -0.03 0.00 -0.02 -0.64 107.32 109.67 3b8s s GLY 162 Ca 0.13 -1.81 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 3b8s s GLY 162 CO -0.13 -1.79 0.50 -1.08 0.00 0.00 0.00 173.10 170.60 3b8s s THR 163 N -2.42 0.03 -0.19 0.90 -1.32 -0.89 -1.51 115.64 110.23 3b8s s THR 163 Ca 0.34 -0.74 -0.07 0.00 -1.21 0.00 0.00 61.69 60.01 3b8s s THR 163 Cb -0.03 -1.51 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 3b8s s THR 163 CO 0.20 -0.14 0.06 -0.31 -2.21 0.00 0.00 174.62 172.22 3b8s s TYR 164 N -3.86 3.21 -0.21 9.09 1.51 -0.89 -0.65 117.35 125.55 3b8s s TYR 164 Ca 0.08 -0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 3b8s s TYR 164 Cb -0.00 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3b8s s TYR 164 CO -0.04 0.06 0.06 0.12 -1.11 0.00 0.00 175.55 174.63 3b8s s PHE 165 N 0.60 3.17 -0.10 2.71 2.19 0.08 -2.12 117.98 124.51 3b8s s PHE 165 Ca 0.03 -0.12 -0.11 0.00 0.33 0.00 0.00 56.93 57.05 3b8s s PHE 165 Cb -0.13 -2.14 -0.05 0.00 -1.31 0.00 0.00 43.02 39.40 3b8s s PHE 165 CO 0.01 -0.05 0.26 0.14 1.83 0.00 0.00 175.22 177.42 3b8s s VAL 166 N 0.86 5.30 0.27 3.12 -7.23 -1.26 -1.30 120.40 120.16 3b8s s VAL 166 Ca 0.03 0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 60.69 3b8s s VAL 166 Cb -0.14 -3.57 0.27 0.00 0.56 0.00 0.00 36.38 33.51 3b8s s VAL 166 CO 0.02 0.53 1.86 -0.08 -0.31 0.00 0.00 175.10 177.12 3b8s h GLU 167 N 5.49 1.05 -0.00 4.82 4.81 -1.25 -2.15 114.58 127.34 3b8s h GLU 167 Ca -0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3b8s h GLU 167 Cb 1.20 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3b8s h GLU 167 CO 0.65 0.70 0.00 -2.67 -0.73 0.00 0.00 179.01 176.96 3b8s n TRP 168 N -4.56 0.00 0.43 0.92 2.14 -1.26 -3.90 117.44 111.21 3b8s n TRP 168 Ca 0.17 -0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.83 3b8s n TRP 168 Cb 0.25 0.00 0.41 0.00 -0.81 0.00 0.00 31.31 31.16 3b8s n TRP 168 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3b8s n GLY 169 N 1.00 -1.14 0.00 -1.67 0.00 -0.81 -3.08 105.19 99.48 3b8s n GLY 169 Ca 0.23 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3b8s n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3b8s n ILE 170 N -1.91 0.10 0.00 -0.61 -5.35 -1.22 -0.46 119.36 109.91 3b8s n ILE 170 Ca 0.03 0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3b8s n ILE 170 Cb 0.20 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 3b8s n ILE 170 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3b8s n TYR 171 N -1.41 0.00 -0.37 4.28 4.01 -1.18 -4.36 117.16 118.14 3b8s n TYR 171 Ca 0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.86 3b8s n TYR 171 Cb 0.28 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.48 3b8s n TYR 171 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3b8s h GLY 172 N 0.00 1.52 2.00 2.72 0.00 -1.83 -0.93 103.07 106.55 3b8s h GLY 172 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3b8s h GLY 172 CO 0.00 0.34 0.00 3.21 0.00 0.00 0.00 176.54 180.09 3b8s h ARG 173 N 1.17 0.00 -6.48 4.80 3.08 -1.85 -3.46 114.38 111.64 3b8s h ARG 173 Ca 0.43 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.97 3b8s h ARG 173 Cb 0.16 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.09 3b8s h ARG 173 CO -0.17 0.00 -0.78 -3.47 -1.07 0.00 0.00 179.97 174.47 3b8s n ASP 174 N -2.86 -4.11 -4.19 7.04 2.03 -0.35 -4.94 116.55 109.18 3b8s n ASP 174 Ca -0.00 -0.87 -0.34 0.00 0.52 0.00 0.00 54.79 54.10 3b8s n ASP 174 Cb 0.22 -3.31 -0.15 0.00 -0.72 0.00 0.00 41.12 37.16 3b8s n ASP 174 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3b8s s TYR 175 N -3.27 3.03 0.39 -0.67 5.04 0.40 -4.97 117.35 117.29 3b8s s TYR 175 Ca 0.70 -1.57 0.08 0.00 -2.44 0.00 0.00 57.07 53.84 3b8s s TYR 175 Cb -0.37 -2.03 -0.05 0.00 0.35 0.00 0.00 41.96 39.86 3b8s s TYR 175 CO 0.86 -0.74 0.16 0.95 -1.34 0.00 0.00 175.55 175.45 3b8s s THR 176 N 1.32 2.54 0.26 4.34 -4.23 -1.26 -3.45 115.64 115.15 3b8s s THR 176 Ca 0.01 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3b8s s THR 176 Cb -0.16 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.96 3b8s s THR 176 CO -0.06 -0.07 1.83 0.58 -0.54 0.00 0.00 174.62 176.37 3b8s h VAL 177 N 1.48 0.94 0.00 2.29 2.07 -1.97 -0.86 116.25 120.20 3b8s h VAL 177 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3b8s h VAL 177 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3b8s h VAL 177 CO 0.67 0.17 0.00 -0.90 0.02 0.00 0.00 177.57 177.53 3b8s n ASP 178 N -4.66 0.21 0.17 0.57 5.75 -1.26 -2.16 116.55 115.16 3b8s n ASP 178 Ca 0.16 0.56 0.12 0.00 -0.01 0.00 0.00 54.79 55.62 3b8s n ASP 178 Cb 0.29 -0.60 0.23 0.00 -1.03 0.00 0.00 41.12 40.01 3b8s n ASP 178 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3b8s h ASN 179 N 0.00 0.00 -3.20 -1.12 2.35 -1.29 0.13 115.58 112.45 3b8s h ASN 179 Ca 0.00 -0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 3b8s h ASN 179 Cb 0.22 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.62 3b8s h ASN 179 CO 0.00 0.01 0.71 -0.04 -1.65 0.00 0.00 177.43 176.46 3b8s s MET 180 N -3.19 4.33 -1.14 0.81 -1.94 -0.92 -4.47 119.30 112.78 3b8s s MET 180 Ca 0.07 2.12 -0.18 0.00 -1.71 0.00 0.00 55.69 55.99 3b8s s MET 180 Cb 0.08 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 3b8s s MET 180 CO 0.66 -0.37 2.04 -0.35 -0.01 0.00 0.00 175.02 176.99 3b8s n PRO 181 N 3.17 2.23 -0.04 2.03 -0.04 -1.26 -4.78 135.00 136.32 3b8s n PRO 181 Ca 0.09 -2.35 0.11 0.00 -0.04 0.00 0.00 63.50 61.31 3b8s n PRO 181 Cb 0.42 -3.19 0.52 0.00 -0.04 0.00 0.00 33.50 31.20 3b8s n PRO 181 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3b8s h VAL 182 N 4.51 0.92 0.00 0.52 3.04 -1.93 0.27 116.25 123.58 3b8s h VAL 182 Ca 0.47 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 66.03 3b8s h VAL 182 Cb 0.70 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3b8s h VAL 182 CO 1.83 0.07 -0.02 0.44 -1.01 0.00 0.00 177.57 178.88 3b8s h ASP 183 N 0.37 0.00 -0.55 3.17 3.32 -1.99 -2.45 116.42 118.29 3b8s h ASP 183 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3b8s h ASP 183 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3b8s h ASP 183 CO -0.06 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.07 3b8s n ASN 184 N -3.14 3.12 -4.16 6.45 4.13 0.08 -4.92 115.26 116.83 3b8s n ASN 184 Ca -0.01 -1.98 -0.23 0.00 1.68 0.00 0.00 54.58 54.04 3b8s n ASN 184 Cb 0.22 -0.36 -0.15 0.00 -1.54 0.00 0.00 39.78 37.96 3b8s n ASN 184 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3b8s s LEU 185 N -1.09 2.08 -0.14 3.41 1.43 -0.92 -4.87 118.68 118.58 3b8s s LEU 185 Ca 0.39 -0.36 0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3b8s s LEU 185 Cb 0.21 -0.79 -0.22 0.00 0.03 0.00 0.00 46.19 45.41 3b8s s LEU 185 CO 0.28 0.15 0.13 0.35 0.23 0.00 0.00 176.35 177.48 3b8s n THR 186 N 2.38 0.92 -4.23 5.49 -2.24 0.18 -4.90 114.28 111.88 3b8s n THR 186 Ca -0.16 -0.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.76 3b8s n THR 186 Cb 0.54 -0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 68.18 3b8s n THR 186 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3b8s s HIS 187 N -2.57 0.89 -0.23 4.78 3.76 -1.15 -1.31 115.29 119.45 3b8s s HIS 187 Ca -0.08 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 3b8s s HIS 187 Cb 0.06 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 33.02 3b8s s HIS 187 CO 0.70 -0.21 -0.08 0.42 -0.85 0.00 0.00 174.74 174.71 3b8s s ILE 188 N 0.90 2.80 -0.25 0.60 1.01 0.38 -2.10 121.20 124.53 3b8s s ILE 188 Ca -0.11 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 3b8s s ILE 188 Cb -0.15 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3b8s s ILE 188 CO 0.01 0.28 0.22 -0.76 0.00 0.00 0.00 174.94 174.69 3b8s s LEU 189 N 1.34 4.09 -0.36 2.97 1.43 0.18 -0.77 118.68 127.55 3b8s s LEU 189 Ca 0.02 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 3b8s s LEU 189 Cb -0.16 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3b8s s LEU 189 CO -0.06 -0.01 0.39 -0.47 0.23 0.00 0.00 176.35 176.43 3b8s s TYR 190 N 1.38 3.20 -0.12 0.29 5.04 0.31 -0.74 117.35 126.72 3b8s s TYR 190 Ca 0.10 -0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.60 3b8s s TYR 190 Cb -0.15 -2.73 -0.03 0.00 0.35 0.00 0.00 41.96 39.40 3b8s s TYR 190 CO 0.07 -0.50 0.01 0.20 -1.34 0.00 0.00 175.55 173.99 3b8s s GLY 191 N 1.75 1.84 0.04 8.97 0.00 -0.42 -0.54 107.32 118.96 3b8s s GLY 191 Ca 0.12 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.06 3b8s s GLY 191 CO 0.12 -0.36 -0.06 -1.36 0.00 0.00 0.00 173.10 171.44 3b8s s PHE 192 N -0.42 0.55 -0.30 1.90 0.08 -1.26 -0.61 117.98 117.91 3b8s s PHE 192 Ca 0.08 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.39 3b8s s PHE 192 Cb -0.12 -0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 3b8s s PHE 192 CO 0.02 -0.14 0.49 0.42 -0.10 0.00 0.00 175.22 175.92 3b8s s ILE 193 N -1.70 5.06 0.66 0.64 -1.09 0.45 -4.61 121.20 120.62 3b8s s ILE 193 Ca -0.09 0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 3b8s s ILE 193 Cb -0.08 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3b8s s ILE 193 CO -0.01 -0.04 1.06 -2.16 -1.23 0.00 0.00 174.94 172.56 3b8s s PRO 194 N 2.32 3.22 -0.14 2.79 0.04 -1.25 -1.80 135.00 140.18 3b8s s PRO 194 Ca 0.19 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 3b8s s PRO 194 Cb -0.16 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3b8s s PRO 194 CO 0.11 -0.81 -0.12 0.42 0.04 0.00 0.00 177.00 176.64 3b8s s ILE 195 N -3.26 3.10 0.53 0.56 1.01 -1.26 -2.48 121.20 119.40 3b8s s ILE 195 Ca 0.57 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3b8s s ILE 195 Cb -0.11 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 3b8s s ILE 195 CO 0.53 0.51 1.24 0.00 0.00 0.00 0.00 174.94 177.23 3b8s n GLY 197 N 0.56 0.30 3.65 0.00 0.00 -1.26 0.36 105.19 108.79 3b8s n GLY 197 Ca 0.10 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3b8s n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b8s s PRO 198 N -0.99 3.98 -0.32 1.61 0.04 -1.26 -4.87 135.00 133.18 3b8s s PRO 198 Ca 0.00 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.23 3b8s s PRO 198 Cb 0.00 -4.03 0.46 0.00 0.04 0.00 0.00 34.50 30.96 3b8s s PRO 198 CO 0.00 -1.08 1.07 0.09 0.04 0.00 0.00 177.00 177.12 3b8s n ASN 199 N 7.87 0.83 -0.11 6.66 3.02 -1.26 -2.85 115.26 129.43 3b8s n ASN 199 Ca 0.19 -2.52 0.06 0.00 -0.03 0.00 0.00 54.58 52.27 3b8s n ASN 199 Cb 0.44 -0.23 0.39 0.00 -0.61 0.00 0.00 39.78 39.77 3b8s n ASN 199 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3b8s h GLU 200 N 2.69 0.64 0.00 3.52 4.39 -1.91 -2.66 114.58 121.25 3b8s h GLU 200 Ca -0.15 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3b8s h GLU 200 Cb 1.22 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3b8s h GLU 200 CO 0.32 0.42 -0.02 0.77 -1.16 0.00 0.00 179.01 179.35 3b8s h SER 201 N 0.66 0.00 0.24 1.42 0.02 -1.93 -3.00 113.55 110.97 3b8s h SER 201 Ca 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3b8s h SER 201 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3b8s h SER 201 CO -0.07 0.02 -0.16 0.58 -1.14 0.00 0.00 176.83 176.06 3b8s h VAL 202 N 0.00 0.91 -0.11 2.27 2.07 -1.43 -2.52 116.25 117.44 3b8s h VAL 202 Ca -0.00 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3b8s h VAL 202 Cb 0.18 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3b8s h VAL 202 CO 0.00 0.16 0.12 0.11 0.02 0.00 0.00 177.57 177.98 3b8s h LYS 203 N 0.00 0.00 0.00 1.57 1.57 -1.73 -2.08 116.57 115.90 3b8s h LYS 203 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3b8s h LYS 203 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3b8s h LYS 203 CO 0.02 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 3b8s h SER 204 N 0.00 0.00 0.19 0.86 4.64 -1.68 -2.72 113.55 114.84 3b8s h SER 204 Ca 0.05 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.08 3b8s h SER 204 Cb 0.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3b8s h SER 204 CO -0.00 0.00 -1.38 0.58 -0.87 0.00 0.00 176.83 175.16 3b8s h VAL 205 N 0.00 1.21 0.00 0.95 2.07 -1.57 -3.50 116.25 115.41 3b8s h VAL 205 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3b8s h VAL 205 Cb 0.46 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3b8s h VAL 205 CO 0.00 0.78 0.00 0.61 0.02 0.00 0.00 177.57 178.98 3b8s n GLY 206 N 1.75 1.43 0.08 2.17 0.00 -1.02 -4.95 105.19 104.64 3b8s n GLY 206 Ca -0.19 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 3b8s n GLY 206 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b8s h GLY 207 N 0.00 0.14 0.86 -0.02 0.00 -1.90 -2.82 103.07 99.33 3b8s h GLY 207 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.26 3b8s h GLY 207 CO 0.00 0.12 0.61 3.43 0.00 0.00 0.00 176.54 180.69 3b8s h ASN 208 N -0.26 0.97 -0.44 0.19 2.35 -1.98 0.16 115.58 116.57 3b8s h ASN 208 Ca 0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3b8s h ASN 208 Cb 0.47 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3b8s h ASN 208 CO 0.01 0.63 0.09 -1.28 -1.65 0.00 0.00 177.43 175.24 3b8s h SER 209 N 1.10 0.68 -0.37 5.81 0.87 -1.91 -0.54 113.55 119.19 3b8s h SER 209 Ca 0.39 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 3b8s h SER 209 Cb 0.13 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3b8s h SER 209 CO -0.14 0.75 -0.06 0.15 -0.53 0.00 0.00 176.83 176.99 3b8s h PHE 210 N 0.58 0.77 -0.82 2.24 3.04 -1.15 -2.65 116.94 118.95 3b8s h PHE 210 Ca 0.14 -0.16 0.09 0.00 3.98 0.00 0.00 57.97 62.02 3b8s h PHE 210 Cb 0.34 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 3b8s h PHE 210 CO 0.02 0.83 0.47 -0.91 -2.02 0.00 0.00 178.31 176.70 3b8s h ASN 211 N 0.49 0.67 -0.52 0.41 2.35 -0.59 0.15 115.58 118.54 3b8s h ASN 211 Ca 0.10 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3b8s h ASN 211 Cb 0.56 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3b8s h ASN 211 CO 0.03 0.38 0.27 0.00 -1.65 0.00 0.00 177.43 176.46 3b8s h ALA 212 N 1.45 0.66 -0.27 -0.83 0.00 -1.01 -0.46 119.26 118.81 3b8s h ALA 212 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3b8s h ALA 212 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3b8s h ALA 212 CO -0.25 0.20 -0.04 1.25 0.00 0.00 0.00 179.25 180.41 3b8s h LEU 213 N 0.69 0.50 -0.41 0.00 5.85 -1.09 -0.07 115.31 120.79 3b8s h LEU 213 Ca 0.18 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3b8s h LEU 213 Cb 0.08 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3b8s h LEU 213 CO -0.03 0.73 -0.08 1.56 -0.34 0.00 0.00 178.44 180.28 3b8s h GLN 214 N 0.27 0.02 -0.07 1.25 1.08 -0.86 -1.32 115.11 115.46 3b8s h GLN 214 Ca 0.07 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3b8s h GLN 214 Cb 0.50 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3b8s h GLN 214 CO 0.02 0.01 0.04 1.15 -0.95 0.00 0.00 178.83 179.11 3b8s h THR 215 N 0.02 1.06 -0.55 -0.54 2.02 -0.94 -2.89 112.91 111.09 3b8s h THR 215 Ca 0.20 -0.17 0.10 0.00 0.77 0.00 0.00 66.41 67.30 3b8s h THR 215 Cb 0.30 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3b8s h THR 215 CO -0.40 0.05 0.37 0.00 0.37 0.00 0.00 175.52 175.92 3b8s h ALA 216 N 0.97 2.06 -0.04 6.16 0.00 -0.68 -2.47 119.26 125.26 3b8s h ALA 216 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b8s h ALA 216 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b8s h ALA 216 CO -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3b8s s ARG 218 N -1.97 4.20 -0.29 0.00 0.52 -0.94 -2.00 118.95 118.48 3b8s s ARG 218 Ca 0.36 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 3b8s s ARG 218 Cb 0.21 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 32.09 3b8s s ARG 218 CO 0.32 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.33 3b8s n GLY 219 N 3.97 0.56 3.48 -3.53 0.00 -1.26 -4.27 105.19 104.13 3b8s n GLY 219 Ca 0.16 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3b8s n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 220 N -1.88 3.11 0.46 1.61 1.01 -0.84 -4.84 120.40 119.03 3b8s s VAL 220 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 3b8s s VAL 220 Cb 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 3b8s s VAL 220 CO 0.00 0.59 1.19 0.20 0.00 0.00 0.00 175.10 177.08 3b8s s ASN 221 N -0.69 6.10 0.46 3.32 0.01 -1.26 -4.98 114.94 117.90 3b8s s ASN 221 Ca 0.11 2.36 -0.24 0.00 -0.71 0.00 0.00 52.86 54.38 3b8s s ASN 221 Cb -0.11 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.86 3b8s s ASN 221 CO 0.01 -0.97 1.25 0.47 -1.51 0.00 0.00 177.10 176.35 3b8s n ASP 222 N -0.49 2.36 0.00 -1.22 8.00 -1.26 -2.71 116.55 121.22 3b8s n ASP 222 Ca 0.07 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.62 3b8s n ASP 222 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 3b8s n ASP 222 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3b8s n TYR 223 N -0.52 0.00 -3.85 1.24 4.02 0.16 -4.90 117.16 113.30 3b8s n TYR 223 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.64 3b8s n TYR 223 Cb 0.41 -0.26 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 3b8s n TYR 223 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3b8s s GLU 224 N -0.24 3.49 0.48 -0.72 2.02 -1.10 -3.12 118.70 119.51 3b8s s GLU 224 Ca 0.00 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 3b8s s GLU 224 Cb 0.00 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 3b8s s GLU 224 CO 0.00 0.62 1.00 0.14 0.02 0.00 0.00 175.26 177.04 3b8s s VAL 225 N -1.42 4.13 0.20 2.63 -7.23 -1.26 -1.26 120.40 116.19 3b8s s VAL 225 Ca 0.31 1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 61.71 3b8s s VAL 225 Cb -0.13 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3b8s s VAL 225 CO 0.22 -0.37 0.14 0.68 -0.31 0.00 0.00 175.10 175.46 3b8s s VAL 226 N -2.21 0.00 -0.13 1.32 -7.23 -1.03 -4.91 120.40 106.21 3b8s s VAL 226 Ca 0.64 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 3b8s s VAL 226 Cb -0.13 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 3b8s s VAL 226 CO 0.21 0.00 0.71 -0.63 -0.31 0.00 0.00 175.10 175.08 3b8s s ILE 227 N -4.14 5.00 0.01 -0.62 1.01 -1.26 -3.79 121.20 117.41 3b8s s ILE 227 Ca 0.38 1.41 -0.25 0.00 0.00 0.00 0.00 60.65 62.19 3b8s s ILE 227 Cb 0.07 -4.03 -0.17 0.00 0.01 0.00 0.00 42.46 38.33 3b8s s ILE 227 CO 0.12 0.16 1.31 -0.74 0.00 0.00 0.00 174.94 175.80 3b8s h HIS 228 N 7.08 -0.26 -3.17 3.97 2.76 -1.94 -3.41 115.15 120.19 3b8s h HIS 228 Ca -0.36 -0.01 -0.63 0.00 -2.20 0.00 0.00 60.37 57.18 3b8s h HIS 228 Cb 1.17 0.08 -0.41 0.00 1.55 0.00 0.00 27.41 29.80 3b8s h HIS 228 CO 0.68 0.07 -0.68 0.34 -1.30 0.00 0.00 177.93 177.04 3b8s s ASP 229 N -5.22 4.02 0.51 3.26 -1.08 -1.26 -4.52 116.67 112.38 3b8s s ASP 229 Ca -0.15 -2.93 0.27 0.00 -0.52 0.00 0.00 52.55 49.22 3b8s s ASP 229 Cb 0.03 -1.36 1.38 0.00 -1.46 0.00 0.00 42.92 41.50 3b8s s ASP 229 CO 0.59 -0.23 2.04 1.55 0.52 0.00 0.00 175.17 179.64 3b8s h PRO 230 N 6.48 0.00 0.47 4.34 0.13 -1.98 -0.26 132.00 141.18 3b8s h PRO 230 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3b8s h PRO 230 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3b8s h PRO 230 CO 0.60 0.13 -0.23 2.35 -0.23 0.00 0.00 178.00 180.63 3b8s h TRP 231 N 0.00 -0.59 -0.62 1.56 2.91 -1.96 -1.00 115.95 116.24 3b8s h TRP 231 Ca -0.00 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.93 3b8s h TRP 231 Cb 0.38 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 3b8s h TRP 231 CO 0.00 -0.36 0.09 0.00 -1.03 0.00 0.00 178.44 177.13 3b8s h ALA 232 N -0.11 0.83 0.14 2.65 0.00 -1.84 -0.05 119.26 120.88 3b8s h ALA 232 Ca -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3b8s h ALA 232 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3b8s h ALA 232 CO 0.11 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.89 3b8s h ALA 233 N 1.02 -0.19 0.00 0.00 0.00 -1.00 0.18 119.26 119.28 3b8s h ALA 233 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3b8s h ALA 233 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3b8s h ALA 233 CO 0.02 -0.46 0.00 2.48 0.00 0.00 0.00 179.25 181.28 3b8s n TYR 234 N -5.04 0.00 -0.05 0.00 0.18 -0.46 0.02 117.16 111.81 3b8s n TYR 234 Ca -0.09 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.52 3b8s n TYR 234 Cb 0.20 0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.03 3b8s n TYR 234 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3b8s n GLN 235 N 0.00 0.70 -2.02 -3.48 6.02 -0.75 -1.05 117.38 116.80 3b8s n GLN 235 Ca 0.00 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 3b8s n GLN 235 Cb 0.13 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 3b8s n GLN 235 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3b8s s LYS 236 N -2.55 4.23 -0.14 -1.09 2.20 -0.05 -4.56 119.74 117.78 3b8s s LYS 236 Ca -0.22 2.22 -0.29 0.00 -0.36 0.00 0.00 55.97 57.31 3b8s s LYS 236 Cb 0.07 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3b8s s LYS 236 CO 0.73 -0.67 1.22 0.45 -0.36 0.00 0.00 175.35 176.72 3b8s s SER 237 N 2.14 6.99 -0.37 1.43 0.15 -1.26 0.03 113.70 122.80 3b8s s SER 237 Ca 0.70 1.70 -0.07 0.00 0.70 0.00 0.00 55.95 58.99 3b8s s SER 237 Cb -0.37 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.45 3b8s s SER 237 CO 0.30 -0.70 0.17 -0.36 1.20 0.00 0.00 173.24 173.86 3b8s s PHE 238 N 3.06 3.33 0.49 3.44 0.40 -1.26 -4.98 117.98 122.46 3b8s s PHE 238 Ca 0.54 -1.61 0.20 0.00 -0.60 0.00 0.00 56.93 55.46 3b8s s PHE 238 Cb -0.22 -2.64 1.25 0.00 0.51 0.00 0.00 43.02 41.92 3b8s s PHE 238 CO 0.16 -0.81 2.02 -1.00 0.70 0.00 0.00 175.22 176.29 3b8s h PRO 239 N 8.25 0.14 0.00 0.24 0.13 -1.95 -0.42 132.00 138.40 3b8s h PRO 239 Ca -0.22 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3b8s h PRO 239 Cb 1.08 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3b8s h PRO 239 CO 0.67 0.09 -0.11 -0.56 -0.23 0.00 0.00 178.00 177.86 3b8s h GLN 240 N 0.14 0.00 -0.19 0.86 -0.00 -1.95 -1.47 115.11 112.50 3b8s h GLN 240 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 3b8s h GLN 240 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.16 3b8s h GLN 240 CO -0.03 0.11 0.00 0.00 -0.00 0.00 0.00 178.83 178.91 3b8s n ALA 241 N -2.25 2.48 -1.63 0.06 0.00 -0.18 -4.67 120.51 114.32 3b8s n ALA 241 Ca -0.02 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 3b8s n ALA 241 Cb 0.24 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3b8s n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8s n GLY 242 N 1.30 0.65 3.76 0.00 0.00 -0.55 -4.99 105.19 105.35 3b8s n GLY 242 Ca 0.17 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3b8s n GLY 242 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b8s s HIS 243 N -2.38 2.96 0.36 1.61 3.76 -1.13 -5.02 115.29 115.45 3b8s s HIS 243 Ca 0.00 1.25 0.04 0.00 -0.15 0.00 0.00 55.06 56.20 3b8s s HIS 243 Cb 0.00 -3.78 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 3b8s s HIS 243 CO 0.00 -2.30 0.07 -1.21 -0.85 0.00 0.00 174.74 170.45 3b8s s GLU 244 N -1.40 1.76 0.26 1.40 2.02 -1.26 -4.70 118.70 116.79 3b8s s GLU 244 Ca 0.53 -2.02 -0.01 0.00 0.02 0.00 0.00 54.97 53.49 3b8s s GLU 244 Cb -0.42 -0.84 0.51 0.00 0.10 0.00 0.00 34.13 33.49 3b8s s GLU 244 CO 0.52 -0.28 1.79 -0.92 0.02 0.00 0.00 175.26 176.39 3b8s h TYR 245 N 1.98 0.90 -0.00 1.61 3.20 -2.03 -2.12 116.97 120.51 3b8s h TYR 245 Ca -0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3b8s h TYR 245 Cb 1.26 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3b8s h TYR 245 CO 0.88 0.29 -0.24 -1.13 -1.64 0.00 0.00 178.16 176.33 3b8s n SER 246 N -4.77 0.34 -4.65 -2.11 3.41 -1.26 -4.86 113.62 99.72 3b8s n SER 246 Ca 0.17 -0.07 -0.47 0.00 -0.26 0.00 0.00 58.87 58.23 3b8s n SER 246 Cb 0.38 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 3b8s n SER 246 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3b8s n THR 247 N -1.36 0.54 0.21 6.66 -1.04 -0.80 -4.85 114.28 113.64 3b8s n THR 247 Ca 0.08 -0.16 0.09 0.00 -2.04 0.00 0.00 64.05 62.02 3b8s n THR 247 Cb 0.33 -1.97 0.42 0.00 -1.82 0.00 0.00 70.33 67.28 3b8s n THR 247 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3b8s h PRO 248 N 10.35 0.00 -4.38 -2.82 0.11 -1.89 -3.42 132.00 129.95 3b8s h PRO 248 Ca -0.46 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 3b8s h PRO 248 Cb 1.27 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.04 3b8s h PRO 248 CO 0.96 0.25 -0.80 0.42 -0.21 0.00 0.00 178.00 178.61 3b8s s ILE 249 N -3.60 0.95 0.00 4.15 1.01 -1.26 -4.70 121.20 117.75 3b8s s ILE 249 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3b8s s ILE 249 Cb 0.10 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3b8s s ILE 249 CO 0.65 0.32 0.00 0.29 0.00 0.00 0.00 174.94 176.19 3b8s n LYS 250 N 3.90 1.80 0.00 2.79 5.02 -0.22 -4.76 118.16 126.69 3b8s n LYS 250 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3b8s n LYS 250 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3b8s n LYS 250 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b8s n GLY 251 N 2.24 -0.96 0.35 0.72 0.00 0.10 -2.27 105.19 105.37 3b8s n GLY 251 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.93 3b8s n GLY 251 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3b8s h ASN 252 N 0.00 0.95 -0.11 1.61 2.35 -0.14 -3.00 115.58 117.25 3b8s h ASN 252 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3b8s h ASN 252 Cb 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3b8s h ASN 252 CO 0.00 0.61 0.07 1.88 -1.65 0.00 0.00 177.43 178.34 3b8s h TYR 253 N 1.09 0.14 -0.55 1.19 -1.99 -0.53 0.43 116.97 116.75 3b8s h TYR 253 Ca 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.14 3b8s h TYR 253 Cb 0.16 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 3b8s h TYR 253 CO -0.02 0.11 0.33 0.00 -0.00 0.00 0.00 178.16 178.59 3b8s h ALA 254 N 1.02 1.56 -0.43 3.88 0.00 -1.41 -0.15 119.26 123.73 3b8s h ALA 254 Ca 0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3b8s h ALA 254 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3b8s h ALA 254 CO -0.01 0.39 -0.30 0.52 0.00 0.00 0.00 179.25 179.85 3b8s h MET 255 N 0.75 0.96 -0.22 0.00 2.86 -1.27 -1.55 114.93 116.47 3b8s h MET 255 Ca 0.20 -0.46 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 3b8s h MET 255 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3b8s h MET 255 CO -0.04 1.12 -0.16 -0.07 1.06 0.00 0.00 176.91 178.83 3b8s h LEU 256 N 0.81 0.36 -0.40 1.22 3.38 -0.40 0.17 115.31 120.45 3b8s h LEU 256 Ca 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3b8s h LEU 256 Cb 0.89 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3b8s h LEU 256 CO 0.08 0.54 0.14 0.24 0.09 0.00 0.00 178.44 179.53 3b8s h MET 257 N 0.34 0.61 -0.19 1.13 2.86 -0.83 -1.67 114.93 117.18 3b8s h MET 257 Ca 0.06 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 3b8s h MET 257 Cb 0.48 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3b8s h MET 257 CO 0.03 0.59 -0.36 0.00 1.06 0.00 0.00 176.91 178.24 3b8s h ALA 258 N 0.99 1.03 -0.55 6.32 0.00 -0.96 -2.90 119.26 123.19 3b8s h ALA 258 Ca 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3b8s h ALA 258 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3b8s h ALA 258 CO -0.01 0.59 0.33 1.25 0.00 0.00 0.00 179.25 181.42 3b8s h LEU 259 N 0.35 0.67 -1.69 0.00 5.85 -0.51 -1.77 115.31 118.21 3b8s h LEU 259 Ca 0.04 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3b8s h LEU 259 Cb 0.79 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3b8s h LEU 259 CO 0.06 0.53 0.22 0.11 -0.34 0.00 0.00 178.44 179.03 3b8s h LYS 260 N 0.74 0.42 -0.06 1.25 1.79 -1.18 0.21 116.57 119.75 3b8s h LYS 260 Ca 0.20 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 3b8s h LYS 260 Cb -0.01 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3b8s h LYS 260 CO -0.04 0.28 -0.45 1.96 -1.08 0.00 0.00 179.45 180.12 3b8s h GLN 261 N 0.43 0.14 0.00 3.15 1.08 -1.24 -2.35 115.11 116.33 3b8s h GLN 261 Ca 0.12 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.10 3b8s h GLN 261 Cb -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3b8s h GLN 261 CO -0.03 0.57 -0.60 -0.09 -0.95 0.00 0.00 178.83 177.74 3b8s h ARG 262 N 0.12 0.40 -3.00 1.46 2.43 -0.70 -3.42 114.38 111.67 3b8s h ARG 262 Ca 0.01 -0.44 -0.62 0.00 -0.81 0.00 0.00 59.98 58.12 3b8s h ARG 262 Cb 0.85 0.13 -0.41 0.00 -0.42 0.00 0.00 29.97 30.12 3b8s h ARG 262 CO 0.07 1.10 -0.66 -0.80 -1.51 0.00 0.00 179.97 178.17 3b8s s ASN 263 N -6.75 4.10 0.55 -3.80 -0.87 0.64 -4.98 114.94 103.84 3b8s s ASN 263 Ca -0.13 -3.49 0.28 0.00 -1.57 0.00 0.00 52.86 47.94 3b8s s ASN 263 Cb 0.03 -1.39 1.61 0.00 -0.02 0.00 0.00 41.25 41.49 3b8s s ASN 263 CO 0.82 -0.14 2.16 1.55 -2.57 0.00 0.00 177.10 178.93 3b8s h PRO 264 N 5.72 0.00 -0.00 -0.60 0.13 -1.66 -2.24 132.00 133.35 3b8s h PRO 264 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3b8s h PRO 264 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3b8s h PRO 264 CO 0.64 0.06 -0.16 -0.25 -0.23 0.00 0.00 178.00 178.06 3b8s n ASP 265 N -3.80 0.18 -4.77 1.44 8.00 -1.26 -4.89 116.55 111.45 3b8s n ASP 265 Ca -0.02 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.24 3b8s n ASP 265 Cb 0.16 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 3b8s n ASP 265 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3b8s s LEU 266 N -2.95 4.33 -0.28 0.64 2.96 -0.84 -5.01 118.68 117.54 3b8s s LEU 266 Ca 0.15 2.99 -0.10 0.00 -0.22 0.00 0.00 54.13 56.95 3b8s s LEU 266 Cb 0.19 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3b8s s LEU 266 CO 0.57 -0.86 0.15 -0.54 -1.32 0.00 0.00 176.35 174.35 3b8s s LYS 267 N -1.54 3.69 -0.20 1.98 -0.14 -0.43 -5.03 119.74 118.08 3b8s s LYS 267 Ca 0.56 -0.48 -0.04 0.00 -1.36 0.00 0.00 55.97 54.65 3b8s s LYS 267 Cb -0.46 -3.55 -0.01 0.00 -1.68 0.00 0.00 37.83 32.12 3b8s s LYS 267 CO 0.57 -0.25 -0.05 0.42 -0.76 0.00 0.00 175.35 175.28 3b8s s ILE 268 N 1.68 3.47 -0.06 2.17 1.01 -1.26 -0.47 121.20 127.74 3b8s s ILE 268 Ca 0.06 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3b8s s ILE 268 Cb -0.16 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.76 3b8s s ILE 268 CO 0.08 0.44 -0.12 -0.63 0.00 0.00 0.00 174.94 174.71 3b8s s ILE 269 N 1.19 1.07 0.13 2.92 1.01 0.05 0.33 121.20 127.88 3b8s s ILE 269 Ca 0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3b8s s ILE 269 Cb -0.14 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.29 3b8s s ILE 269 CO -0.01 0.34 1.08 -2.16 0.00 0.00 0.00 174.94 174.18 3b8s s PRO 270 N 0.60 4.58 -0.30 2.79 0.04 -1.26 -0.53 135.00 140.93 3b8s s PRO 270 Ca -0.13 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 3b8s s PRO 270 Cb -0.15 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 3b8s s PRO 270 CO 0.03 0.03 0.18 0.45 0.04 0.00 0.00 177.00 177.74 3b8s s SER 271 N 0.23 5.84 -0.22 6.66 0.15 0.30 -1.07 113.70 125.59 3b8s s SER 271 Ca 0.51 -0.25 -0.15 0.00 0.70 0.00 0.00 55.95 56.76 3b8s s SER 271 Cb -0.27 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 3b8s s SER 271 CO 0.32 -0.13 0.35 -0.63 1.20 0.00 0.00 173.24 174.35 3b8s s ILE 272 N 1.71 5.23 0.00 6.45 1.01 0.39 -0.41 121.20 135.57 3b8s s ILE 272 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3b8s s ILE 272 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3b8s s ILE 272 CO 0.09 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3b8s n GLY 273 N 4.13 0.72 0.07 6.18 0.00 -0.74 -0.21 105.19 115.33 3b8s n GLY 273 Ca -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3b8s n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8s n GLY 274 N 0.00 -3.45 0.30 -0.02 0.00 0.53 -4.24 105.19 98.31 3b8s n GLY 274 Ca 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.97 3b8s n GLY 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3b8s h TRP 275 N 0.00 0.82 -0.01 1.61 2.91 -1.91 -3.00 115.95 116.36 3b8s h TRP 275 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3b8s h TRP 275 Cb 0.00 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.40 3b8s h TRP 275 CO 0.00 0.33 -0.32 0.25 -1.03 0.00 0.00 178.44 177.67 3b8s n THR 276 N -4.76 0.00 -1.14 2.65 -2.24 -1.26 -4.25 114.28 103.27 3b8s n THR 276 Ca 0.13 -0.34 0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3b8s n THR 276 Cb 0.28 1.24 0.16 0.00 -2.10 0.00 0.00 70.33 69.90 3b8s n THR 276 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3b8s n LEU 277 N 0.08 2.50 0.03 3.22 4.77 -1.17 -3.19 117.00 123.24 3b8s n LEU 277 Ca 0.08 -3.20 0.11 0.00 -0.03 0.00 0.00 56.01 52.97 3b8s n LEU 277 Cb 0.39 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3b8s n LEU 277 CO 0.21 0.81 0.13 -1.20 -1.33 0.00 0.00 177.39 176.01 3b8s n SER 278 N -1.35 0.63 -0.26 -1.43 7.64 -1.14 -4.37 113.62 113.34 3b8s n SER 278 Ca 0.17 -0.15 0.07 0.00 1.01 0.00 0.00 58.87 59.97 3b8s n SER 278 Cb 0.66 0.58 0.21 0.00 -1.01 0.00 0.00 64.21 64.66 3b8s n SER 278 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3b8s h ASP 279 N 0.00 0.13 0.06 6.43 3.32 -1.84 -1.73 116.42 122.80 3b8s h ASP 279 Ca 0.00 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3b8s h ASP 279 Cb 0.71 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 3b8s h ASP 279 CO 0.00 -0.00 -0.04 -0.65 -1.72 0.00 0.00 179.24 176.83 3b8s h PRO 280 N 0.33 0.00 -0.59 3.56 0.11 -1.78 -2.96 132.00 130.67 3b8s h PRO 280 Ca 0.45 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.68 3b8s h PRO 280 Cb 0.77 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 3b8s h PRO 280 CO -0.49 0.04 0.40 0.74 -0.21 0.00 0.00 178.00 178.48 3b8s h PHE 281 N 0.00 0.29 0.00 0.65 0.04 -1.64 -1.89 116.94 114.39 3b8s h PHE 281 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3b8s h PHE 281 Cb 0.08 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3b8s h PHE 281 CO 0.00 0.13 0.00 1.88 -0.60 0.00 0.00 178.31 179.72 3b8s h TYR 282 N 0.26 0.00 -0.34 -0.55 -1.99 -1.68 -0.96 116.97 111.72 3b8s h TYR 282 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3b8s h TYR 282 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 3b8s h TYR 282 CO -0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 177.91 3b8s n ASP 283 N -2.37 2.60 0.00 3.88 8.00 -0.71 -4.12 116.55 123.82 3b8s n ASP 283 Ca 0.00 -1.89 0.14 0.00 0.71 0.00 0.00 54.79 53.75 3b8s n ASP 283 Cb 0.14 -0.22 0.83 0.00 -0.02 0.00 0.00 41.12 41.85 3b8s n ASP 283 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3b8s n PHE 284 N 0.92 0.00 0.28 1.24 3.01 -0.36 -2.59 117.46 119.96 3b8s n PHE 284 Ca 0.18 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.78 3b8s n PHE 284 Cb 0.46 0.00 0.81 0.00 -0.01 0.00 0.00 39.48 40.73 3b8s n PHE 284 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3b8s h VAL 285 N 0.00 0.44 -3.62 -4.37 -1.51 -1.79 -3.39 116.25 102.01 3b8s h VAL 285 Ca 0.00 -0.40 -0.63 0.00 -1.23 0.00 0.00 66.70 64.43 3b8s h VAL 285 Cb 0.00 1.28 -0.14 0.00 -2.13 0.00 0.00 31.29 30.29 3b8s h VAL 285 CO 0.00 0.08 -0.07 -0.62 -1.23 0.00 0.00 177.57 175.73 3b8s s ASP 286 N -5.99 6.34 0.48 4.19 -1.08 -1.07 -4.97 116.67 114.58 3b8s s ASP 286 Ca -0.03 0.21 0.16 0.00 -0.52 0.00 0.00 52.55 52.36 3b8s s ASP 286 Cb 0.13 -2.26 1.16 0.00 -1.46 0.00 0.00 42.92 40.49 3b8s s ASP 286 CO 0.55 -0.37 2.06 0.50 0.52 0.00 0.00 175.17 178.44 3b8s h LYS 287 N 8.27 0.19 -0.95 4.34 3.64 -1.88 -2.07 116.57 128.11 3b8s h LYS 287 Ca -0.29 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.19 3b8s h LYS 287 Cb 1.14 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 3b8s h LYS 287 CO 0.73 0.13 0.60 0.87 -2.27 0.00 0.00 179.45 179.51 3b8s h LYS 288 N 0.20 0.90 -0.08 1.90 1.57 -1.93 0.16 116.57 119.28 3b8s h LYS 288 Ca 0.14 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 3b8s h LYS 288 Cb 0.32 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3b8s h LYS 288 CO -0.02 0.59 -0.72 -0.91 -0.57 0.00 0.00 179.45 177.82 3b8s h ASN 289 N 0.92 0.48 -0.31 0.86 2.35 -1.66 -2.41 115.58 115.82 3b8s h ASN 289 Ca 0.45 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3b8s h ASN 289 Cb 0.47 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3b8s h ASN 289 CO -0.22 1.05 0.11 0.03 -1.65 0.00 0.00 177.43 176.75 3b8s h ARG 290 N 0.28 0.47 -0.18 0.81 3.08 -1.22 -1.70 114.38 115.93 3b8s h ARG 290 Ca -0.03 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3b8s h ARG 290 Cb 1.29 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 3b8s h ARG 290 CO 0.12 0.49 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.97 3b8s h ASP 291 N 0.34 -0.34 -0.39 7.04 3.32 -0.67 0.19 116.42 125.91 3b8s h ASP 291 Ca 0.10 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.29 3b8s h ASP 291 Cb 0.21 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3b8s h ASP 291 CO -0.01 -0.14 0.06 0.74 -1.72 0.00 0.00 179.24 178.17 3b8s h THR 292 N -0.09 0.77 0.26 0.35 2.02 -1.40 -1.44 112.91 113.37 3b8s h THR 292 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3b8s h THR 292 Cb 0.24 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3b8s h THR 292 CO -0.24 0.03 -0.12 0.15 0.37 0.00 0.00 175.52 175.71 3b8s h PHE 293 N 0.18 -0.32 -0.88 3.16 3.57 -0.81 -2.20 116.94 119.63 3b8s h PHE 293 Ca 0.19 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 3b8s h PHE 293 Cb 0.24 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3b8s h PHE 293 CO -0.21 -0.08 0.58 0.28 -2.23 0.00 0.00 178.31 176.65 3b8s h VAL 294 N -0.52 1.15 -0.61 1.41 2.07 -0.57 -0.68 116.25 118.51 3b8s h VAL 294 Ca -0.04 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3b8s h VAL 294 Cb 0.39 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3b8s h VAL 294 CO 0.06 0.20 0.25 0.00 0.02 0.00 0.00 177.57 178.10 3b8s h ALA 295 N 1.48 0.79 -0.28 1.67 0.00 -1.22 -2.18 119.26 119.52 3b8s h ALA 295 Ca 0.35 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3b8s h ALA 295 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3b8s h ALA 295 CO -0.10 0.40 -0.22 0.66 0.00 0.00 0.00 179.25 179.99 3b8s h SER 296 N 0.84 0.52 -0.56 0.00 4.64 -0.62 -1.86 113.55 116.51 3b8s h SER 296 Ca 0.20 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 3b8s h SER 296 Cb 0.19 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3b8s h SER 296 CO -0.02 0.74 -0.04 0.58 -0.87 0.00 0.00 176.83 177.23 3b8s h VAL 297 N 0.47 1.27 -0.17 0.95 2.07 -1.03 0.18 116.25 119.98 3b8s h VAL 297 Ca 0.07 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3b8s h VAL 297 Cb 0.64 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3b8s h VAL 297 CO 0.05 0.42 0.11 0.50 0.02 0.00 0.00 177.57 178.66 3b8s h LYS 298 N 0.90 0.23 -0.94 1.57 3.64 -1.10 0.13 116.57 121.00 3b8s h LYS 298 Ca 0.15 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3b8s h LYS 298 Cb 0.60 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3b8s h LYS 298 CO 0.04 0.18 0.62 -0.22 -2.27 0.00 0.00 179.45 177.79 3b8s h LYS 299 N 0.21 1.20 -0.43 1.90 3.64 -1.23 -1.13 116.57 120.74 3b8s h LYS 299 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3b8s h LYS 299 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3b8s h LYS 299 CO -0.01 0.79 0.22 0.35 -2.27 0.00 0.00 179.45 178.53 3b8s h PHE 300 N 1.23 0.60 0.00 1.91 3.04 -0.08 -0.31 116.94 123.33 3b8s h PHE 300 Ca 0.35 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.23 3b8s h PHE 300 Cb -0.09 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 3b8s h PHE 300 CO -0.01 0.48 -0.25 -0.07 -2.02 0.00 0.00 178.31 176.44 3b8s h LEU 301 N 0.55 0.00 0.00 0.59 3.38 -0.48 0.33 115.31 119.67 3b8s h LEU 301 Ca 0.15 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3b8s h LEU 301 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3b8s h LEU 301 CO -0.02 0.25 -0.80 0.11 0.09 0.00 0.00 178.44 178.07 3b8s h LYS 302 N 0.00 0.00 0.10 1.13 1.57 -0.94 -3.32 116.57 115.11 3b8s h LYS 302 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3b8s h LYS 302 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.15 3b8s h LYS 302 CO 0.03 0.78 -0.86 1.15 -0.57 0.00 0.00 179.45 179.98 3b8s h THR 303 N 0.00 1.44 -3.28 -0.16 2.02 -0.69 -3.40 112.91 108.84 3b8s h THR 303 Ca -0.01 -2.40 -0.67 0.00 0.77 0.00 0.00 66.41 64.10 3b8s h THR 303 Cb 1.61 2.94 -0.38 0.00 -1.74 0.00 0.00 68.15 70.58 3b8s h THR 303 CO 0.10 0.70 -0.32 0.26 0.37 0.00 0.00 175.52 176.63 3b8s s TRP 304 N -2.76 3.68 0.33 3.16 0.52 0.07 -4.68 118.94 119.27 3b8s s TRP 304 Ca -0.13 -3.10 0.37 0.00 0.02 0.00 0.00 56.10 53.27 3b8s s TRP 304 Cb 0.03 -3.04 1.74 0.00 -1.15 0.00 0.00 33.47 31.05 3b8s s TRP 304 CO 0.85 -0.69 2.13 0.87 0.02 0.00 0.00 176.95 180.13 3b8s h LYS 305 N 5.99 0.00 0.00 4.98 1.57 -1.66 -2.74 116.57 124.71 3b8s h LYS 305 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3b8s h LYS 305 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3b8s h LYS 305 CO 0.78 0.02 -0.02 0.27 -0.57 0.00 0.00 179.45 179.92 3b8s h PHE 306 N 0.00 0.00 -3.81 -1.35 -0.00 -1.56 -3.44 116.94 106.77 3b8s h PHE 306 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.97 57.46 3b8s h PHE 306 Cb 0.32 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.30 3b8s h PHE 306 CO 0.00 0.02 0.50 0.71 -0.00 0.00 0.00 178.31 179.54 3b8s s TYR 307 N -3.88 3.49 -0.77 6.09 4.12 -1.04 -4.55 117.35 120.82 3b8s s TYR 307 Ca -0.01 1.65 0.13 0.00 0.02 0.00 0.00 57.07 58.86 3b8s s TYR 307 Cb 0.11 -3.35 0.41 0.00 -1.52 0.00 0.00 41.96 37.61 3b8s s TYR 307 CO 0.51 -0.76 1.34 -0.25 0.02 0.00 0.00 175.55 176.40 3b8s n ASP 308 N 1.15 3.36 0.00 2.29 8.00 0.15 -4.99 116.55 126.51 3b8s n ASP 308 Ca -0.01 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.18 3b8s n ASP 308 Cb 0.44 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3b8s n ASP 308 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8s n GLY 309 N 0.32 -0.29 3.12 0.44 0.00 -1.26 -1.14 105.19 106.38 3b8s n GLY 309 Ca 0.16 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 3b8s n GLY 309 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8s s VAL 310 N -4.00 0.01 -0.16 1.61 0.11 -0.66 -4.21 120.40 113.10 3b8s s VAL 310 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 3b8s s VAL 310 Cb 0.00 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 3b8s s VAL 310 CO 0.00 -0.03 -0.14 -0.62 -3.33 0.00 0.00 175.10 170.98 3b8s s ASP 311 N -0.02 3.73 -0.34 3.54 2.15 -0.23 -1.29 116.67 124.22 3b8s s ASP 311 Ca -0.01 -0.46 -0.13 0.00 0.43 0.00 0.00 52.55 52.38 3b8s s ASP 311 Cb -0.02 -1.58 -0.02 0.00 -0.30 0.00 0.00 42.92 41.00 3b8s s ASP 311 CO 0.01 0.08 0.23 -0.63 -0.17 0.00 0.00 175.17 174.69 3b8s s ILE 312 N 0.86 5.24 -0.74 4.11 -1.09 -0.13 -0.46 121.20 128.99 3b8s s ILE 312 Ca -0.04 -0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3b8s s ILE 312 Cb -0.15 -3.68 0.26 0.00 -1.58 0.00 0.00 42.46 37.31 3b8s s ILE 312 CO -0.01 0.01 0.90 0.47 -1.23 0.00 0.00 174.94 175.09 3b8s n ASP 313 N 5.10 4.35 -4.56 3.58 8.00 0.70 -2.18 116.55 131.54 3b8s n ASP 313 Ca -0.13 -3.43 -0.43 0.00 0.71 0.00 0.00 54.79 51.51 3b8s n ASP 313 Cb 0.50 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 3b8s n ASP 313 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3b8s s TRP 314 N -2.52 3.05 -0.50 1.24 -0.11 -1.26 -0.35 118.94 118.49 3b8s s TRP 314 Ca 0.38 0.32 -0.01 0.00 1.22 0.00 0.00 56.10 58.01 3b8s s TRP 314 Cb 0.12 -3.53 0.13 0.00 -1.50 0.00 0.00 33.47 28.69 3b8s s TRP 314 CO 0.01 -0.87 0.28 -1.21 -4.62 0.00 0.00 176.95 170.54 3b8s s GLU 315 N 3.18 2.12 0.01 5.86 2.02 -1.26 -4.14 118.70 126.49 3b8s s GLU 315 Ca 0.30 -2.23 -0.07 0.00 0.02 0.00 0.00 54.97 52.99 3b8s s GLU 315 Cb -0.13 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 3b8s s GLU 315 CO 0.20 -1.10 0.13 -0.06 0.02 0.00 0.00 175.26 174.46 3b8s s PHE 316 N 0.41 0.07 0.17 1.61 0.08 -1.26 -4.30 117.98 114.76 3b8s s PHE 316 Ca 0.13 -0.22 -0.34 0.00 0.12 0.00 0.00 56.93 56.63 3b8s s PHE 316 Cb -0.22 -0.06 -0.13 0.00 -0.57 0.00 0.00 43.02 42.03 3b8s s PHE 316 CO -0.04 -0.31 1.61 -2.30 -0.10 0.00 0.00 175.22 174.08 3b8s n PRO 317 N 1.26 2.27 0.00 0.24 -0.02 -1.26 -0.97 135.00 136.52 3b8s n PRO 317 Ca -0.22 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3b8s n PRO 317 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3b8s n PRO 317 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b8s n GLY 318 N 3.53 2.20 0.00 -1.23 0.00 -1.26 -4.84 105.19 103.58 3b8s n GLY 318 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3b8s n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8s n GLY 319 N -2.00 -1.46 1.28 -0.02 0.00 -0.14 -3.81 105.19 99.05 3b8s n GLY 319 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3b8s n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8s n GLY 320 N 0.00 0.70 0.00 -0.02 0.00 -1.26 -4.22 105.19 100.39 3b8s n GLY 320 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b8s n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8s n GLY 321 N -2.58 1.51 0.27 -0.02 0.00 -1.26 -4.87 105.19 98.24 3b8s n GLY 321 Ca 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 3b8s n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8s h ALA 322 N -1.30 0.94 -1.87 4.61 0.00 -1.76 -3.40 119.26 116.48 3b8s h ALA 322 Ca 0.00 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.96 3b8s h ALA 322 Cb 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.52 3b8s h ALA 322 CO 0.00 0.61 0.57 0.00 0.00 0.00 0.00 179.25 180.43 3b8s s ALA 323 N -4.68 3.20 0.42 0.00 0.00 -1.26 -4.91 121.76 114.53 3b8s s ALA 323 Ca -0.09 -1.03 0.24 0.00 0.00 0.00 0.00 51.96 51.08 3b8s s ALA 323 Cb 0.13 -3.68 1.33 0.00 0.00 0.00 0.00 23.12 20.90 3b8s s ALA 323 CO 0.83 -2.22 2.05 0.00 0.00 0.00 0.00 175.76 176.41 3b8s h ALA 324 N 9.20 1.38 -0.12 0.00 0.00 -2.00 -3.01 119.26 124.71 3b8s h ALA 324 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3b8s h ALA 324 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3b8s h ALA 324 CO 1.06 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 180.08 3b8s n ASP 325 N -3.81 1.77 -4.40 0.00 5.75 -1.26 -4.94 116.55 109.66 3b8s n ASP 325 Ca -0.02 -1.66 -0.24 0.00 -0.01 0.00 0.00 54.79 52.86 3b8s n ASP 325 Cb 0.24 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3b8s n ASP 325 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3b8s s LYS 326 N -1.86 1.46 0.00 0.11 1.02 -1.14 -5.08 119.74 114.26 3b8s s LYS 326 Ca 0.35 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.79 3b8s s LYS 326 Cb 0.19 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 3b8s s LYS 326 CO 0.29 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 3b8s n GLY 327 N 0.02 4.00 2.79 -3.33 0.00 -1.26 -4.35 105.19 103.06 3b8s n GLY 327 Ca -0.11 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3b8s n GLY 327 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b8s s ASP 328 N 0.00 4.17 0.64 1.61 -1.08 -1.25 -4.72 116.67 116.04 3b8s s ASP 328 Ca 0.00 -1.73 0.41 0.00 -0.52 0.00 0.00 52.55 50.71 3b8s s ASP 328 Cb 0.00 -1.00 2.21 0.00 -1.46 0.00 0.00 42.92 42.67 3b8s s ASP 328 CO 0.00 -0.41 2.31 -0.65 0.52 0.00 0.00 175.17 176.94 3b8s h PRO 329 N 8.00 0.00 0.08 4.34 0.11 -1.94 -0.85 132.00 141.75 3b8s h PRO 329 Ca -0.12 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.68 3b8s h PRO 329 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3b8s h PRO 329 CO 0.48 0.01 -1.68 0.28 -0.21 0.00 0.00 178.00 176.88 3b8s h VAL 330 N 0.00 0.77 0.00 3.15 2.07 -1.94 -3.43 116.25 116.86 3b8s h VAL 330 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3b8s h VAL 330 Cb 0.07 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3b8s h VAL 330 CO 0.00 0.67 -1.13 0.59 0.02 0.00 0.00 177.57 177.72 3b8s n ASN 331 N -3.87 0.90 -0.04 0.57 3.02 -1.11 -4.53 115.26 110.20 3b8s n ASN 331 Ca -0.31 -0.57 -0.16 0.00 -0.03 0.00 0.00 54.58 53.50 3b8s n ASN 331 Cb 0.90 1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 41.28 3b8s n ASN 331 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3b8s h ASP 332 N 0.00 0.93 0.49 6.41 3.32 -1.43 -2.60 116.42 123.55 3b8s h ASP 332 Ca 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.44 3b8s h ASP 332 Cb 0.52 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3b8s h ASP 332 CO 0.00 1.36 -0.29 1.23 -1.72 0.00 0.00 179.24 179.83 3b8s h GLY 333 N 0.55 -0.78 0.42 2.75 0.00 -1.78 0.12 103.07 104.36 3b8s h GLY 333 Ca -0.03 0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.75 3b8s h GLY 333 CO 0.14 -0.29 0.60 -2.55 0.00 0.00 0.00 176.54 174.44 3b8s h PRO 334 N -0.73 0.89 -0.54 4.80 0.11 -1.80 -0.81 132.00 133.92 3b8s h PRO 334 Ca -0.06 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 3b8s h PRO 334 Cb 0.59 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3b8s h PRO 334 CO 0.07 0.59 0.13 0.00 -0.21 0.00 0.00 178.00 178.58 3b8s h ALA 335 N 1.54 1.22 -0.20 -0.75 0.00 -1.14 -0.13 119.26 119.80 3b8s h ALA 335 Ca 0.49 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3b8s h ALA 335 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3b8s h ALA 335 CO -0.28 0.54 -0.03 -0.92 0.00 0.00 0.00 179.25 178.56 3b8s h TYR 336 N 0.80 0.41 -0.37 0.00 5.03 -0.04 0.11 116.97 122.90 3b8s h TYR 336 Ca 0.18 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 3b8s h TYR 336 Cb 0.29 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3b8s h TYR 336 CO 0.02 0.60 0.22 0.82 -1.32 0.00 0.00 178.16 178.49 3b8s h ILE 337 N 0.10 1.13 -0.69 1.81 2.04 -1.04 -1.71 117.51 119.15 3b8s h ILE 337 Ca 0.05 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3b8s h ILE 337 Cb 0.45 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3b8s h ILE 337 CO 0.02 0.13 0.43 0.00 0.00 0.00 0.00 178.15 178.73 3b8s h ALA 338 N 1.09 0.89 -0.61 1.87 0.00 -0.96 -1.47 119.26 120.07 3b8s h ALA 338 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3b8s h ALA 338 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3b8s h ALA 338 CO -0.02 0.21 0.36 1.25 0.00 0.00 0.00 179.25 181.05 3b8s h LEU 339 N 0.85 0.56 -0.47 0.00 5.85 -0.66 -0.69 115.31 120.75 3b8s h LEU 339 Ca 0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 3b8s h LEU 339 Cb -0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3b8s h LEU 339 CO -0.10 0.38 0.11 0.24 -0.34 0.00 0.00 178.44 178.73 3b8s h MET 340 N 0.69 0.76 -0.34 1.25 2.86 -0.93 0.19 114.93 119.41 3b8s h MET 340 Ca 0.26 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3b8s h MET 340 Cb 0.08 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3b8s h MET 340 CO -0.13 0.75 0.17 -0.09 1.06 0.00 0.00 176.91 178.66 3b8s h ARG 341 N 0.64 0.34 -0.34 1.72 2.43 -1.03 -1.08 114.38 117.06 3b8s h ARG 341 Ca 0.15 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3b8s h ARG 341 Cb 0.33 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3b8s h ARG 341 CO 0.00 0.22 -0.37 0.93 -1.51 0.00 0.00 179.97 179.25 3b8s h GLU 342 N 0.35 0.79 -0.67 0.20 5.08 -0.86 -1.40 114.58 118.06 3b8s h GLU 342 Ca 0.14 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3b8s h GLU 342 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3b8s h GLU 342 CO -0.10 1.02 0.11 -0.07 -1.00 0.00 0.00 179.01 178.98 3b8s h LEU 343 N 0.65 1.07 -0.48 1.33 3.38 -0.55 -1.97 115.31 118.74 3b8s h LEU 343 Ca 0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3b8s h LEU 343 Cb 0.92 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3b8s h LEU 343 CO 0.08 1.05 0.10 -0.09 0.09 0.00 0.00 178.44 179.68 3b8s h ARG 344 N 1.04 0.78 -0.29 1.13 9.65 -1.01 0.10 114.38 125.78 3b8s h ARG 344 Ca 0.21 -0.20 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3b8s h ARG 344 Cb 0.44 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 3b8s h ARG 344 CO 0.01 0.77 -0.05 0.28 2.80 0.00 0.00 179.97 183.79 3b8s h VAL 345 N 0.66 0.74 -0.71 0.20 2.07 -1.17 -0.20 116.25 117.83 3b8s h VAL 345 Ca 0.15 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3b8s h VAL 345 Cb 0.35 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3b8s h VAL 345 CO 0.00 0.01 0.44 -0.03 0.02 0.00 0.00 177.57 178.01 3b8s h MET 346 N 0.03 0.96 -0.10 1.57 1.85 -1.07 -2.27 114.93 115.90 3b8s h MET 346 Ca 0.14 -0.08 -0.10 0.00 -0.61 0.00 0.00 59.70 59.06 3b8s h MET 346 Cb 0.20 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3b8s h MET 346 CO -0.28 0.66 -0.37 -0.07 -0.40 0.00 0.00 176.91 176.46 3b8s h LEU 347 N 0.97 0.21 -0.81 3.39 3.38 -0.46 -2.17 115.31 119.82 3b8s h LEU 347 Ca 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3b8s h LEU 347 Cb -0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3b8s h LEU 347 CO -0.05 0.57 0.41 0.44 0.09 0.00 0.00 178.44 179.90 3b8s h ASP 348 N 0.17 1.04 -0.51 -0.43 3.32 -0.72 -0.23 116.42 119.07 3b8s h ASP 348 Ca 0.02 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.98 3b8s h ASP 348 Cb 0.74 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3b8s h ASP 348 CO 0.06 0.86 0.28 -0.33 -1.72 0.00 0.00 179.24 178.39 3b8s h GLU 349 N 1.14 0.54 -0.75 3.56 5.08 -0.86 0.03 114.58 123.32 3b8s h GLU 349 Ca 0.28 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3b8s h GLU 349 Cb 0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3b8s h GLU 349 CO -0.04 0.35 0.25 -0.07 -1.00 0.00 0.00 179.01 178.51 3b8s h LEU 350 N 0.55 1.07 -0.66 1.33 3.38 -1.06 -0.26 115.31 119.66 3b8s h LEU 350 Ca 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3b8s h LEU 350 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3b8s h LEU 350 CO -0.13 0.98 0.34 -0.33 0.09 0.00 0.00 178.44 179.40 3b8s h GLU 351 N 1.11 0.93 -0.71 1.13 5.08 -0.65 0.11 114.58 121.57 3b8s h GLU 351 Ca 0.25 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3b8s h GLU 351 Cb 0.28 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3b8s h GLU 351 CO -0.01 0.72 0.28 0.00 -1.00 0.00 0.00 179.01 179.00 3b8s h ALA 352 N 1.16 1.16 0.00 3.43 0.00 -0.64 0.20 119.26 124.57 3b8s h ALA 352 Ca 0.23 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3b8s h ALA 352 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3b8s h ALA 352 CO -0.03 0.61 -0.83 0.93 0.00 0.00 0.00 179.25 179.92 3b8s h GLU 353 N 1.03 0.00 0.00 0.00 5.08 -0.63 -3.38 114.58 116.67 3b8s h GLU 353 Ca 0.24 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3b8s h GLU 353 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3b8s h GLU 353 CO -0.02 0.83 -1.43 0.25 -1.00 0.00 0.00 179.01 177.64 3b8s n THR 354 N -3.49 0.18 -0.98 1.13 -2.24 0.33 -4.99 114.28 104.22 3b8s n THR 354 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3b8s n THR 354 Cb 0.81 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3b8s n THR 354 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8s n GLY 355 N 2.20 0.82 3.93 3.38 0.00 0.70 -5.03 105.19 111.19 3b8s n GLY 355 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3b8s n GLY 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8s s ARG 356 N -0.07 2.95 -0.18 1.61 0.52 -1.25 -5.04 118.95 117.50 3b8s s ARG 356 Ca 0.00 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.01 3b8s s ARG 356 Cb 0.00 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 3b8s s ARG 356 CO 0.00 -0.60 0.09 0.99 0.02 0.00 0.00 175.30 175.80 3b8s s THR 357 N -2.89 5.09 0.01 0.02 2.01 -1.26 -4.39 115.64 114.23 3b8s s THR 357 Ca 0.53 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.65 3b8s s THR 357 Cb -0.10 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 3b8s s THR 357 CO 0.43 0.47 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.38 3b8s s TYR 358 N 0.18 2.67 0.03 4.92 2.02 -1.26 -4.89 117.35 121.01 3b8s s TYR 358 Ca 0.07 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 3b8s s TYR 358 Cb -0.12 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 3b8s s TYR 358 CO -0.00 0.26 0.04 -1.21 -1.57 0.00 0.00 175.55 173.07 3b8s s GLU 359 N -1.27 2.84 -0.15 -0.62 2.02 -0.29 -4.96 118.70 116.27 3b8s s GLU 359 Ca 0.15 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3b8s s GLU 359 Cb -0.11 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3b8s s GLU 359 CO 0.05 0.61 -0.19 -1.17 0.02 0.00 0.00 175.26 174.57 3b8s s LEU 360 N -1.89 2.00 0.27 1.80 2.96 -1.26 -1.65 118.68 120.91 3b8s s LEU 360 Ca 0.23 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3b8s s LEU 360 Cb -0.12 -1.36 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 3b8s s LEU 360 CO 0.15 0.03 0.12 0.42 -1.32 0.00 0.00 176.35 175.75 3b8s s THR 361 N 1.05 0.43 -0.20 3.68 -4.23 -0.41 -0.37 115.64 115.59 3b8s s THR 361 Ca -0.02 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.32 3b8s s THR 361 Cb -0.14 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3b8s s THR 361 CO -0.06 0.00 0.53 -0.55 -0.54 0.00 0.00 174.62 174.00 3b8s s SER 362 N -3.32 -0.59 -0.15 3.99 0.15 -1.11 -0.95 113.70 111.73 3b8s s SER 362 Ca 0.37 1.09 -0.18 0.00 0.70 0.00 0.00 55.95 57.93 3b8s s SER 362 Cb 0.07 1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 3b8s s SER 362 CO 0.15 -0.19 0.46 0.00 1.20 0.00 0.00 173.24 174.85 3b8s s ALA 363 N 0.57 3.51 0.11 5.45 0.00 -0.93 -0.06 121.76 130.40 3b8s s ALA 363 Ca -0.02 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.71 3b8s s ALA 363 Cb -0.05 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3b8s s ALA 363 CO -0.03 -0.10 -0.15 0.96 0.00 0.00 0.00 175.76 176.43 3b8s s ILE 364 N 0.87 1.35 0.49 0.00 -4.36 -0.79 -4.30 121.20 114.45 3b8s s ILE 364 Ca 0.24 -1.58 -0.22 0.00 -0.26 0.00 0.00 60.65 58.83 3b8s s ILE 364 Cb -0.15 -1.42 -0.07 0.00 1.25 0.00 0.00 42.46 42.08 3b8s s ILE 364 CO 0.09 -0.30 1.16 -0.83 0.24 0.00 0.00 174.94 175.30 3b8s s GLY 365 N -2.17 2.74 0.00 6.27 0.00 -1.26 -1.45 107.32 111.45 3b8s s GLY 365 Ca 0.06 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.72 3b8s s GLY 365 CO 0.03 1.34 0.72 3.33 0.00 0.00 0.00 173.10 178.53 3b8s n VAL 366 N -0.73 0.27 -1.89 1.40 0.24 -1.26 -4.37 118.33 112.00 3b8s n VAL 366 Ca 0.09 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.34 61.36 3b8s n VAL 366 Cb 0.49 0.91 0.02 0.00 -1.47 0.00 0.00 33.84 33.78 3b8s n VAL 366 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3b8s s GLY 367 N -0.44 2.90 0.40 7.63 0.00 -1.26 -3.94 107.32 112.61 3b8s s GLY 367 Ca 0.04 1.33 0.14 0.00 0.00 0.00 0.00 44.72 46.23 3b8s s GLY 367 CO 0.04 1.89 1.89 0.10 0.00 0.00 0.00 173.10 177.01 3b8s h TYR 368 N 2.11 0.60 0.00 1.90 -0.00 -1.90 -0.54 116.97 119.13 3b8s h TYR 368 Ca -0.50 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.22 3b8s h TYR 368 Cb 1.27 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 37.81 3b8s h TYR 368 CO 0.50 0.21 -0.09 0.38 -0.00 0.00 0.00 178.16 179.15 3b8s h ASP 369 N 0.49 0.00 0.10 0.10 2.03 -1.94 -2.32 116.42 114.89 3b8s h ASP 369 Ca 0.42 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.50 3b8s h ASP 369 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 3b8s h ASP 369 CO -0.16 0.09 -1.09 0.11 -1.03 0.00 0.00 179.24 177.16 3b8s h LYS 370 N 0.00 0.21 -0.61 4.15 1.79 -1.46 -3.38 116.57 117.27 3b8s h LYS 370 Ca -0.00 -0.37 -0.08 0.00 -2.18 0.00 0.00 60.65 58.03 3b8s h LYS 370 Cb 0.86 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 3b8s h LYS 370 CO 0.01 1.17 0.08 0.82 -1.08 0.00 0.00 179.45 180.46 3b8s h ILE 371 N -0.45 1.26 0.00 1.86 2.04 -1.32 -2.88 117.51 118.01 3b8s h ILE 371 Ca -0.23 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3b8s h ILE 371 Cb 1.61 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3b8s h ILE 371 CO 0.06 0.38 0.00 1.05 0.00 0.00 0.00 178.15 179.63 3b8s h GLU 372 N 0.94 0.00 -0.00 2.37 4.11 -1.60 -2.65 114.58 117.75 3b8s h GLU 372 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3b8s h GLU 372 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3b8s h GLU 372 CO 0.01 0.00 -0.06 -0.25 0.07 0.00 0.00 179.01 178.78 3b8s n ASP 373 N -2.54 0.29 -3.89 3.06 8.00 -1.09 -4.79 116.55 115.61 3b8s n ASP 373 Ca 0.00 -0.50 -0.17 0.00 0.71 0.00 0.00 54.79 54.83 3b8s n ASP 373 Cb 0.17 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 40.98 3b8s n ASP 373 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3b8s s VAL 374 N -2.45 0.31 -0.86 2.53 1.01 -1.00 -3.48 120.40 116.46 3b8s s VAL 374 Ca 0.31 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 3b8s s VAL 374 Cb 0.20 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.32 3b8s s VAL 374 CO 0.46 0.13 1.27 -0.62 0.00 0.00 0.00 175.10 176.34 3b8s s ASP 375 N 0.47 6.36 0.46 3.32 2.15 -1.26 -4.86 116.67 123.30 3b8s s ASP 375 Ca -0.05 -1.15 0.26 0.00 0.43 0.00 0.00 52.55 52.05 3b8s s ASP 375 Cb -0.08 -2.52 0.83 0.00 -0.30 0.00 0.00 42.92 40.85 3b8s s ASP 375 CO -0.01 -1.54 1.78 1.88 -0.17 0.00 0.00 175.17 177.12 3b8s h TYR 376 N 9.69 0.00 -0.76 -5.34 0.05 -1.92 -2.39 116.97 116.30 3b8s h TYR 376 Ca -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 3b8s h TYR 376 Cb 1.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3b8s h TYR 376 CO 1.17 0.11 0.33 0.00 -1.05 0.00 0.00 178.16 178.71 3b8s h ALA 377 N 1.89 1.14 0.15 3.88 0.00 -1.87 0.55 119.26 124.99 3b8s h ALA 377 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3b8s h ALA 377 Cb 0.80 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3b8s h ALA 377 CO 0.01 0.63 -0.07 0.22 0.00 0.00 0.00 179.25 180.04 3b8s h ASP 378 N 1.10 -0.17 -0.89 0.00 1.82 -1.87 -3.32 116.42 113.09 3b8s h ASP 378 Ca 0.26 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 3b8s h ASP 378 Cb 0.17 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 3b8s h ASP 378 CO -0.03 0.26 0.48 0.00 -1.61 0.00 0.00 179.24 178.35 3b8s h ALA 379 N 0.11 1.14 0.00 -0.78 0.00 -1.32 -3.16 119.26 115.25 3b8s h ALA 379 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3b8s h ALA 379 Cb 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3b8s h ALA 379 CO 0.03 0.66 0.00 -0.24 0.00 0.00 0.00 179.25 179.70 3b8s h VAL 380 N 1.25 0.00 0.00 0.00 3.04 -1.00 -2.69 116.25 116.84 3b8s h VAL 380 Ca 0.31 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 3b8s h VAL 380 Cb 0.04 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 3b8s h VAL 380 CO -0.05 0.00 -0.04 0.06 -1.01 0.00 0.00 177.57 176.53 3b8s h GLN 381 N 0.00 0.00 -0.00 4.17 3.07 -1.65 -1.42 115.11 119.29 3b8s h GLN 381 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3b8s h GLN 381 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 3b8s h GLN 381 CO 0.00 0.04 -0.65 0.66 0.09 0.00 0.00 178.83 178.97 3b8s n TYR 382 N -3.79 0.00 -4.21 0.06 4.02 -1.02 -4.98 117.16 107.24 3b8s n TYR 382 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.59 3b8s n TYR 382 Cb 0.13 -0.16 -0.08 0.00 -0.02 0.00 0.00 39.34 39.21 3b8s n TYR 382 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3b8s s MET 383 N -2.97 2.39 -0.14 -0.72 -1.94 -0.53 -4.79 119.30 110.59 3b8s s MET 383 Ca 0.11 -1.10 -0.21 0.00 -1.71 0.00 0.00 55.69 52.78 3b8s s MET 383 Cb 0.17 -2.36 -0.25 0.00 2.01 0.00 0.00 34.83 34.40 3b8s s MET 383 CO 0.74 0.46 0.55 -0.44 -0.01 0.00 0.00 175.02 176.33 3b8s h ASP 384 N 2.79 0.19 -4.83 3.03 3.32 -0.97 -3.48 116.42 116.46 3b8s h ASP 384 Ca -0.47 -0.81 -0.15 0.00 0.02 0.00 0.00 57.03 55.62 3b8s h ASP 384 Cb 1.20 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 3b8s h ASP 384 CO 0.58 1.41 -0.53 -0.31 -1.72 0.00 0.00 179.24 178.66 3b8s s TYR 385 N -2.38 0.05 -0.23 4.55 1.51 -1.20 -4.70 117.35 114.96 3b8s s TYR 385 Ca -0.21 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3b8s s TYR 385 Cb 0.03 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.82 3b8s s TYR 385 CO 0.71 -0.25 -0.05 0.42 -1.11 0.00 0.00 175.55 175.27 3b8s s ILE 386 N -1.22 3.24 -0.73 2.71 1.01 0.09 -2.77 121.20 123.53 3b8s s ILE 386 Ca -0.13 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.69 3b8s s ILE 386 Cb -0.07 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.98 3b8s s ILE 386 CO 0.01 0.38 1.01 -0.36 0.00 0.00 0.00 174.94 175.98 3b8s s PHE 387 N 1.45 2.77 -0.34 3.97 0.08 0.91 -0.86 117.98 125.96 3b8s s PHE 387 Ca 0.05 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 3b8s s PHE 387 Cb -0.15 -4.30 -0.00 0.00 -0.57 0.00 0.00 43.02 38.00 3b8s s PHE 387 CO -0.04 -1.62 1.46 0.00 -0.10 0.00 0.00 175.22 174.93 3b8s s ALA 388 N 3.76 3.15 -1.23 5.36 0.00 -0.43 -1.89 121.76 130.49 3b8s s ALA 388 Ca 0.25 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 3b8s s ALA 388 Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 23.12 19.08 3b8s s ALA 388 CO 0.05 -2.17 1.92 -1.33 0.00 0.00 0.00 175.76 174.23 3b8s n MET 389 N 7.84 2.49 -1.68 0.00 0.00 -0.53 -2.82 117.12 122.42 3b8s n MET 389 Ca 0.17 -2.73 -0.39 0.00 0.00 0.00 0.00 57.70 54.75 3b8s n MET 389 Cb 0.47 -3.42 -0.02 0.00 0.00 0.00 0.00 33.22 30.25 3b8s n MET 389 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3b8s n THR 390 N 6.39 4.82 -3.85 2.03 -2.24 -1.26 -4.39 114.28 115.77 3b8s n THR 390 Ca 0.49 -3.53 -0.09 0.00 -2.27 0.00 0.00 64.05 58.65 3b8s n THR 390 Cb 0.44 -2.31 0.01 0.00 -2.10 0.00 0.00 70.33 66.36 3b8s n THR 390 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3b8s s TYR 391 N 0.34 0.21 -1.62 4.78 -0.85 -1.26 -4.59 117.35 114.36 3b8s s TYR 391 Ca 0.61 -0.81 -0.03 0.00 -0.52 0.00 0.00 57.07 56.32 3b8s s TYR 391 Cb 0.18 0.70 0.01 0.00 0.38 0.00 0.00 41.96 43.23 3b8s s TYR 391 CO -0.08 -1.47 0.38 -0.25 -1.52 0.00 0.00 175.55 172.60 3b8s n ASP 392 N -1.30 -5.92 -0.02 -0.18 8.00 -0.36 -4.91 116.55 111.87 3b8s n ASP 392 Ca -0.07 -0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.15 3b8s n ASP 392 Cb 0.60 -4.84 0.05 0.00 -0.02 0.00 0.00 41.12 36.92 3b8s n ASP 392 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3b8s h PHE 393 N -0.85 0.77 -3.83 1.24 0.04 -1.11 -3.45 116.94 109.75 3b8s h PHE 393 Ca -0.51 -0.25 -0.26 0.00 2.80 0.00 0.00 57.97 59.74 3b8s h PHE 393 Cb 1.36 -0.15 -0.17 0.00 2.20 0.00 0.00 35.95 39.19 3b8s h PHE 393 CO 0.55 0.99 -0.72 0.71 -0.60 0.00 0.00 178.31 179.25 3b8s s TYR 394 N -4.11 0.88 0.01 -0.55 1.51 -1.26 -4.95 117.35 108.87 3b8s s TYR 394 Ca -0.08 -0.74 -0.22 0.00 -1.01 0.00 0.00 57.07 55.03 3b8s s TYR 394 Cb 0.11 -0.50 0.07 0.00 -0.11 0.00 0.00 41.96 41.53 3b8s s TYR 394 CO 0.84 -0.09 0.98 0.41 -1.11 0.00 0.00 175.55 176.58 3b8s n GLY 395 N 0.50 0.37 0.00 0.71 0.00 -1.26 -4.50 105.19 101.00 3b8s n GLY 395 Ca -0.16 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3b8s n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8s n GLY 396 N -0.70 -0.76 0.30 -0.02 0.00 -1.26 -3.20 105.19 99.55 3b8s n GLY 396 Ca 0.03 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.09 3b8s n GLY 396 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3b8s h TRP 397 N 0.00 0.00 -3.11 1.61 0.09 -1.96 -3.42 115.95 109.17 3b8s h TRP 397 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 58.82 3b8s h TRP 397 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.22 3b8s h TRP 397 CO 0.00 0.03 -0.15 0.27 0.09 0.00 0.00 178.44 178.68 3b8s n ASN 398 N -3.24 0.17 -1.35 0.11 0.23 -1.20 -5.07 115.26 104.91 3b8s n ASN 398 Ca -0.02 -1.69 0.08 0.00 -0.53 0.00 0.00 54.58 52.43 3b8s n ASN 398 Cb 0.18 0.46 0.32 0.00 -2.08 0.00 0.00 39.78 38.66 3b8s n ASN 398 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3b8s n ASN 399 N -2.37 4.54 -4.51 0.53 3.02 -1.26 -4.89 115.26 110.32 3b8s n ASN 399 Ca 0.01 -2.66 -0.42 0.00 -0.03 0.00 0.00 54.58 51.48 3b8s n ASN 399 Cb 0.19 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 3b8s n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3b8s s VAL 400 N -2.22 5.06 0.52 2.41 1.01 -1.26 -1.63 120.40 124.29 3b8s s VAL 400 Ca 0.46 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 3b8s s VAL 400 Cb 0.33 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3b8s s VAL 400 CO 0.17 -0.37 1.12 -2.84 0.00 0.00 0.00 175.10 173.18 3b8s s PRO 401 N 2.23 3.48 -0.07 2.72 0.02 -1.26 -4.59 135.00 137.53 3b8s s PRO 401 Ca 0.14 1.58 -0.32 0.00 0.02 0.00 0.00 61.00 62.42 3b8s s PRO 401 Cb -0.16 -2.06 0.13 0.00 0.02 0.00 0.00 34.50 32.42 3b8s s PRO 401 CO 0.14 -0.74 1.39 0.20 -0.33 0.00 0.00 177.00 177.66 3b8s s GLY 402 N -1.77 -0.43 -0.24 0.52 0.00 -1.26 -4.86 107.32 99.29 3b8s s GLY 402 Ca 0.71 0.75 -0.26 0.00 0.00 0.00 0.00 44.72 45.91 3b8s s GLY 402 CO 0.26 1.32 0.91 0.30 0.00 0.00 0.00 173.10 175.89 3b8s s HIS 403 N -2.11 3.32 -0.23 1.90 3.76 -1.26 -4.77 115.29 115.90 3b8s s HIS 403 Ca 0.18 1.26 0.28 0.00 -0.15 0.00 0.00 55.06 56.64 3b8s s HIS 403 Cb 0.06 -3.13 0.98 0.00 1.11 0.00 0.00 32.58 31.60 3b8s s HIS 403 CO -0.05 -0.43 1.82 -0.56 -0.85 0.00 0.00 174.74 174.67 3b8s h GLN 404 N 7.59 0.00 0.00 1.40 3.07 -1.85 -3.35 115.11 121.96 3b8s h GLN 404 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 3b8s h GLN 404 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3b8s h GLN 404 CO 0.91 0.00 -0.31 -2.37 0.09 0.00 0.00 178.83 177.15 3b8s n THR 405 N -2.85 0.00 -1.73 1.86 5.66 -1.26 -0.60 114.28 115.35 3b8s n THR 405 Ca 0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.64 3b8s n THR 405 Cb 0.36 0.35 0.05 0.00 -1.55 0.00 0.00 70.33 69.54 3b8s n THR 405 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3b8s n ALA 406 N 0.00 1.37 -0.03 1.79 0.00 -1.26 -4.77 120.51 117.60 3b8s n ALA 406 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 3b8s n ALA 406 Cb 0.62 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 3b8s n ALA 406 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3b8s h LEU 407 N 1.03 0.06 0.00 0.00 5.85 -1.50 -0.62 115.31 120.12 3b8s h LEU 407 Ca -0.51 -0.68 -0.35 0.00 0.84 0.00 0.00 57.88 57.18 3b8s h LEU 407 Cb 1.32 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 3b8s h LEU 407 CO 0.55 0.73 -0.24 -1.22 -0.34 0.00 0.00 178.44 177.92 3b8s n TYR 408 N -4.71 0.41 -2.62 1.25 4.02 -0.15 -0.85 117.16 114.51 3b8s n TYR 408 Ca -0.09 -1.32 -0.41 0.00 -0.01 0.00 0.00 57.90 56.07 3b8s n TYR 408 Cb 0.36 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 3b8s n TYR 408 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3b8s s GLY 410 N -0.15 2.08 0.56 0.00 0.00 -1.26 -3.69 107.32 104.86 3b8s s GLY 410 Ca 0.48 0.29 0.28 0.00 0.00 0.00 0.00 44.72 45.76 3b8s s GLY 410 CO 0.33 0.59 1.96 0.23 0.00 0.00 0.00 173.10 176.20 3b8s h SER 411 N 0.59 0.00 0.56 1.64 0.87 -1.97 -2.45 113.55 112.79 3b8s h SER 411 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3b8s h SER 411 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3b8s h SER 411 CO 0.59 0.00 0.00 2.19 -0.53 0.00 0.00 176.83 179.08 3b8s h PHE 412 N 0.00 0.00 -3.95 2.24 -5.15 -1.92 -3.45 116.94 104.72 3b8s h PHE 412 Ca 0.25 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.53 3b8s h PHE 412 Cb 1.12 0.00 0.03 0.00 0.22 0.00 0.00 35.95 37.32 3b8s h PHE 412 CO 0.00 0.00 0.44 -1.64 -2.00 0.00 0.00 178.31 175.11 3b8s s MET 413 N -3.81 4.16 0.73 6.09 -1.94 -0.93 -4.92 119.30 118.68 3b8s s MET 413 Ca -0.01 1.61 -0.11 0.00 -1.71 0.00 0.00 55.69 55.47 3b8s s MET 413 Cb 0.10 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.36 3b8s s MET 413 CO 0.46 -0.17 1.10 1.03 -0.01 0.00 0.00 175.02 177.43 3b8s s ARG 414 N -2.38 2.64 0.07 2.03 0.52 -1.26 -4.92 118.95 115.64 3b8s s ARG 414 Ca 0.57 0.51 -0.36 0.00 -0.52 0.00 0.00 55.73 55.93 3b8s s ARG 414 Cb -0.25 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.08 3b8s s ARG 414 CO 0.31 -1.20 1.49 -2.30 0.02 0.00 0.00 175.30 173.62 3b8s n PRO 415 N -3.13 1.53 -0.90 3.54 -0.02 -1.26 -1.52 135.00 133.24 3b8s n PRO 415 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3b8s n PRO 415 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3b8s n PRO 415 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b8s n GLY 416 N 3.08 0.76 0.24 -1.23 0.00 -1.26 -3.83 105.19 102.94 3b8s n GLY 416 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3b8s n GLY 416 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3b8s h GLN 417 N 2.23 0.84 0.09 1.61 4.15 -1.62 0.23 115.11 122.64 3b8s h GLN 417 Ca 0.00 -0.59 0.02 0.00 0.77 0.00 0.00 58.65 58.86 3b8s h GLN 417 Cb 0.02 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 3b8s h GLN 417 CO 0.00 1.21 -0.30 0.00 -1.93 0.00 0.00 178.83 177.81 3b8s n ASP 419 N -5.41 1.20 0.00 0.00 8.00 -1.25 -1.43 116.55 117.66 3b8s n ASP 419 Ca -0.06 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.48 3b8s n ASP 419 Cb 0.32 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3b8s n ASP 419 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8s n GLY 420 N 1.40 0.47 0.22 0.44 0.00 -0.53 -3.91 105.19 103.28 3b8s n GLY 420 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3b8s n GLY 420 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b8s h GLY 421 N 0.00 0.00 0.00 -0.02 0.00 -1.02 -3.38 103.07 98.65 3b8s h GLY 421 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b8s h GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3b8s n GLY 422 N -0.08 0.44 3.03 4.60 0.00 0.52 -4.78 105.19 108.92 3b8s n GLY 422 Ca -0.01 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 3b8s n GLY 422 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 423 N 0.46 -0.02 0.99 1.61 1.01 -1.25 -1.82 120.40 121.38 3b8s s VAL 423 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 3b8s s VAL 423 Cb 0.00 -0.27 0.21 0.00 0.00 0.00 0.00 36.38 36.32 3b8s s VAL 423 CO 0.00 0.02 1.29 1.51 0.00 0.00 0.00 175.10 177.92 3b8s s ASP 424 N 0.48 2.86 0.56 3.32 1.47 -0.28 -4.84 116.67 120.25 3b8s s ASP 424 Ca -0.03 0.34 0.26 0.00 1.18 0.00 0.00 52.55 54.30 3b8s s ASP 424 Cb -0.05 -0.43 1.50 0.00 -0.34 0.00 0.00 42.92 43.60 3b8s s ASP 424 CO -0.02 -2.90 2.03 -0.08 0.68 0.00 0.00 175.17 174.88 3b8s h GLU 425 N -1.75 0.00 -0.00 2.11 4.57 -2.02 -0.08 114.58 117.40 3b8s h GLU 425 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3b8s h GLU 425 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3b8s h GLU 425 CO 0.39 0.00 -0.20 0.09 -1.18 0.00 0.00 179.01 178.11 3b8s n ASN 426 N -4.07 0.61 0.00 1.04 3.02 -1.26 -4.93 115.26 109.67 3b8s n ASN 426 Ca 0.05 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3b8s n ASN 426 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3b8s n ASN 426 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b8s n GLY 427 N 1.35 0.64 3.72 7.41 0.00 -0.04 -5.06 105.19 113.20 3b8s n GLY 427 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3b8s n GLY 427 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8s s GLU 428 N -0.78 4.52 0.66 1.61 2.02 -1.26 -4.71 118.70 120.76 3b8s s GLU 428 Ca 0.00 1.61 -0.17 0.00 0.02 0.00 0.00 54.97 56.43 3b8s s GLU 428 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 3b8s s GLU 428 CO 0.00 -0.11 1.21 -2.14 0.02 0.00 0.00 175.26 174.24 3b8s s PRO 429 N 0.81 2.57 -0.16 0.39 0.02 -1.26 -1.13 135.00 136.25 3b8s s PRO 429 Ca 0.54 1.78 -0.28 0.00 0.02 0.00 0.00 61.00 63.06 3b8s s PRO 429 Cb -0.26 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3b8s s PRO 429 CO 0.29 -1.51 0.97 0.71 -0.33 0.00 0.00 177.00 177.14 3b8s s TYR 430 N -1.81 3.44 0.21 6.54 1.51 -0.76 -4.82 117.35 121.66 3b8s s TYR 430 Ca 0.76 1.48 0.19 0.00 -1.01 0.00 0.00 57.07 58.48 3b8s s TYR 430 Cb -0.30 -3.17 0.76 0.00 -0.11 0.00 0.00 41.96 39.14 3b8s s TYR 430 CO 0.40 -0.30 1.77 0.87 -1.11 0.00 0.00 175.55 177.18 3b8s h LYS 431 N 7.25 0.00 0.00 -0.62 1.57 -1.92 -3.43 116.57 119.43 3b8s h LYS 431 Ca -0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 3b8s h LYS 431 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3b8s h LYS 431 CO 0.89 0.35 0.17 0.41 -0.57 0.00 0.00 179.45 180.69 3b8s n GLY 432 N 0.09 1.25 3.73 3.86 0.00 -1.26 -5.06 105.19 107.81 3b8s n GLY 432 Ca -0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3b8s n GLY 432 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b8s s PRO 433 N -2.26 2.55 0.89 1.61 0.02 -1.25 -4.10 135.00 132.46 3b8s s PRO 433 Ca 0.19 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 3b8s s PRO 433 Cb -0.04 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.76 3b8s s PRO 433 CO 0.14 -1.58 1.12 0.00 -0.33 0.00 0.00 177.00 176.35 3b8s s ALA 434 N -1.46 1.56 -0.90 -1.55 0.00 -0.51 -4.63 121.76 114.27 3b8s s ALA 434 Ca 0.82 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 3b8s s ALA 434 Cb -0.36 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.41 3b8s s ALA 434 CO 0.39 -2.55 1.47 0.71 0.00 0.00 0.00 175.76 175.78 3b8s s TYR 435 N -2.72 2.33 0.13 0.00 1.51 -1.26 -4.80 117.35 112.54 3b8s s TYR 435 Ca 0.65 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 3b8s s TYR 435 Cb -0.21 -4.58 -0.04 0.00 -0.11 0.00 0.00 41.96 37.02 3b8s s TYR 435 CO 0.58 -1.98 -0.06 0.95 -1.11 0.00 0.00 175.55 173.92 3b8s s THR 436 N 5.95 0.82 0.14 -0.71 -4.23 -1.26 -4.87 115.64 111.47 3b8s s THR 436 Ca 0.46 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 3b8s s THR 436 Cb -0.04 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 3b8s s THR 436 CO 0.00 -0.76 1.77 0.00 -0.54 0.00 0.00 174.62 175.09 3b8s h ALA 437 N 2.86 0.44 -0.57 3.99 0.00 -1.05 -2.37 119.26 122.56 3b8s h ALA 437 Ca -0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3b8s h ALA 437 Cb 1.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3b8s h ALA 437 CO 0.64 -0.06 0.23 0.22 0.00 0.00 0.00 179.25 180.28 3b8s h ASP 438 N 0.45 0.79 -0.67 0.00 3.58 -1.23 -0.63 116.42 118.71 3b8s h ASP 438 Ca 0.12 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.45 3b8s h ASP 438 Cb 0.01 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 3b8s h ASP 438 CO -0.02 0.74 0.39 0.78 -2.88 0.00 0.00 179.24 178.25 3b8s h ASN 439 N 0.79 0.62 0.21 2.28 2.35 -1.76 0.86 115.58 120.94 3b8s h ASN 439 Ca 0.19 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3b8s h ASN 439 Cb 0.20 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3b8s h ASN 439 CO -0.02 0.42 -0.10 1.23 -1.65 0.00 0.00 177.43 177.31 3b8s h GLY 440 N 0.75 -0.30 0.84 2.83 0.00 -1.11 -1.91 103.07 104.17 3b8s h GLY 440 Ca 0.28 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.76 3b8s h GLY 440 CO -0.14 -0.11 0.36 -2.22 0.00 0.00 0.00 176.54 174.43 3b8s h ILE 441 N -0.40 1.05 -0.71 2.60 1.08 -0.97 -1.87 117.51 118.29 3b8s h ILE 441 Ca -0.03 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.13 3b8s h ILE 441 Cb 0.31 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 3b8s h ILE 441 CO 0.05 0.13 0.20 1.56 -0.69 0.00 0.00 178.15 179.39 3b8s h GLN 442 N 0.71 1.12 -0.61 2.37 1.08 -0.82 -1.14 115.11 117.82 3b8s h GLN 442 Ca 0.25 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 3b8s h GLN 442 Cb 0.05 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 3b8s h GLN 442 CO -0.11 0.97 0.19 -0.07 -0.95 0.00 0.00 178.83 178.86 3b8s h LEU 443 N 1.06 0.86 -0.29 1.46 3.38 -1.06 -0.08 115.31 120.64 3b8s h LEU 443 Ca 0.23 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3b8s h LEU 443 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3b8s h LEU 443 CO -0.00 0.81 -0.13 -0.07 0.09 0.00 0.00 178.44 179.14 3b8s h LEU 444 N 0.90 0.61 -0.68 1.67 3.38 -1.09 -2.57 115.31 117.54 3b8s h LEU 444 Ca 0.20 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3b8s h LEU 444 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3b8s h LEU 444 CO -0.01 0.88 0.44 -0.07 0.09 0.00 0.00 178.44 179.77 3b8s h LEU 445 N 0.35 0.75 -1.98 1.67 3.38 -1.04 -2.42 115.31 116.02 3b8s h LEU 445 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3b8s h LEU 445 Cb 0.64 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3b8s h LEU 445 CO 0.04 0.54 0.02 0.00 0.09 0.00 0.00 178.44 179.12 3b8s h ALA 446 N 1.26 1.99 0.00 1.53 0.00 -0.94 -0.42 119.26 122.69 3b8s h ALA 446 Ca 0.26 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3b8s h ALA 446 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3b8s h ALA 446 CO -0.07 0.01 -0.31 1.96 0.00 0.00 0.00 179.25 180.84 3b8s h GLN 447 N 0.03 0.00 0.00 0.00 4.20 -1.02 -3.47 115.11 114.85 3b8s h GLN 447 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3b8s h GLN 447 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3b8s h GLN 447 CO -0.00 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.87 3b8s n GLY 448 N -0.15 1.36 3.68 3.46 0.00 -0.17 -4.53 105.19 108.85 3b8s n GLY 448 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3b8s n GLY 448 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 449 N -2.00 3.41 0.32 1.61 1.01 -0.97 -4.80 120.40 118.98 3b8s s VAL 449 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 3b8s s VAL 449 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 3b8s s VAL 449 CO 0.00 -0.01 1.44 -2.16 0.00 0.00 0.00 175.10 174.36 3b8s s PRO 450 N 2.74 4.22 0.28 2.72 0.04 -1.26 -4.40 135.00 139.34 3b8s s PRO 450 Ca 0.69 2.40 0.01 0.00 0.04 0.00 0.00 61.00 64.14 3b8s s PRO 450 Cb -0.35 -3.04 0.53 0.00 0.04 0.00 0.00 34.50 31.68 3b8s s PRO 450 CO 0.29 -0.42 1.84 0.00 0.04 0.00 0.00 177.00 178.76 3b8s h ALA 451 N 3.87 1.50 0.00 8.56 0.00 -1.88 -2.31 119.26 128.99 3b8s h ALA 451 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3b8s h ALA 451 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3b8s h ALA 451 CO 0.70 0.26 0.00 0.27 0.00 0.00 0.00 179.25 180.48 3b8s n ASN 452 N -4.60 0.00 -0.19 0.00 0.23 -1.19 -1.74 115.26 107.77 3b8s n ASN 452 Ca 0.18 -0.98 0.05 0.00 -0.53 0.00 0.00 54.58 53.31 3b8s n ASN 452 Cb 0.33 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.01 3b8s n ASN 452 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b8s n LYS 453 N -0.81 2.41 -3.34 -3.83 5.02 -0.87 -4.15 118.16 112.58 3b8s n LYS 453 Ca 0.11 -0.47 -0.38 0.00 -2.02 0.00 0.00 58.31 55.55 3b8s n LYS 453 Cb 0.05 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3b8s n LYS 453 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3b8s s LEU 454 N -1.91 4.29 -0.14 -0.35 1.43 -0.71 -0.73 118.68 120.56 3b8s s LEU 454 Ca 0.08 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 3b8s s LEU 454 Cb 0.09 -2.66 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 3b8s s LEU 454 CO 0.32 0.04 -0.16 -0.69 0.23 0.00 0.00 176.35 176.08 3b8s s VAL 455 N 0.46 2.59 -0.10 -1.59 1.01 -0.04 -0.40 120.40 122.34 3b8s s VAL 455 Ca 0.25 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3b8s s VAL 455 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3b8s s VAL 455 CO 0.10 0.52 0.53 -0.22 0.00 0.00 0.00 175.10 176.04 3b8s s LEU 456 N 0.71 4.29 -0.00 3.92 2.96 -0.48 -1.31 118.68 128.78 3b8s s LEU 456 Ca -0.07 0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 54.55 3b8s s LEU 456 Cb -0.16 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 3b8s s LEU 456 CO 0.01 -0.02 0.58 -0.83 -1.32 0.00 0.00 176.35 174.77 3b8s s GLY 457 N 0.62 2.60 0.06 7.98 0.00 -1.13 -1.43 107.32 116.02 3b8s s GLY 457 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 44.72 45.06 3b8s s GLY 457 CO 0.12 0.69 -0.07 -0.51 0.00 0.00 0.00 173.10 173.34 3b8s s THR 458 N -0.27 3.58 -0.14 0.90 -4.23 0.38 -4.51 115.64 111.35 3b8s s THR 458 Ca 0.30 -1.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.65 3b8s s THR 458 Cb -0.18 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 3b8s s THR 458 CO 0.17 0.22 0.27 0.00 -0.54 0.00 0.00 174.62 174.74 3b8s s ALA 459 N -1.15 3.65 -0.44 3.99 0.00 -1.26 -2.68 121.76 123.87 3b8s s ALA 459 Ca 0.21 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.74 3b8s s ALA 459 Cb -0.11 -2.32 0.66 0.00 0.00 0.00 0.00 23.12 21.36 3b8s s ALA 459 CO 0.12 0.22 1.90 -1.33 0.00 0.00 0.00 175.76 176.67 3b8s n MET 460 N 3.13 2.24 -3.61 0.00 2.81 -0.02 -4.07 117.12 117.60 3b8s n MET 460 Ca -0.14 -3.02 -0.11 0.00 -1.81 0.00 0.00 57.70 52.63 3b8s n MET 460 Cb 0.52 -2.16 -0.04 0.00 -0.71 0.00 0.00 33.22 30.83 3b8s n MET 460 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 3b8s s TYR 461 N -3.30 -0.26 0.17 2.03 1.13 -1.26 -1.05 117.35 114.81 3b8s s TYR 461 Ca 0.56 -0.04 0.07 0.00 -1.41 0.00 0.00 57.07 56.25 3b8s s TYR 461 Cb 0.48 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.66 3b8s s TYR 461 CO 0.10 -0.79 0.03 0.20 -2.51 0.00 0.00 175.55 172.59 3b8s s GLY 462 N -2.81 1.74 0.08 5.49 0.00 0.93 -4.32 107.32 108.42 3b8s s GLY 462 Ca 0.04 -1.32 0.04 0.00 0.00 0.00 0.00 44.72 43.49 3b8s s GLY 462 CO -0.10 -1.33 0.00 0.50 0.00 0.00 0.00 173.10 172.18 3b8s s ARG 463 N -2.93 2.61 0.06 2.90 0.52 -0.24 -1.45 118.95 120.41 3b8s s ARG 463 Ca 0.28 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.57 3b8s s ARG 463 Cb -0.10 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.82 3b8s s ARG 463 CO 0.20 0.55 0.28 0.20 0.02 0.00 0.00 175.30 176.55 3b8s s GLY 464 N -2.20 -0.08 0.39 -3.53 0.00 -0.37 -0.77 107.32 100.76 3b8s s GLY 464 Ca 0.25 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.88 3b8s s GLY 464 CO 0.17 -0.35 0.04 -0.98 0.00 0.00 0.00 173.10 171.98 3b8s s TRP 465 N -2.90 2.17 0.23 1.90 0.51 0.05 -1.46 118.94 119.44 3b8s s TRP 465 Ca -0.02 -0.86 0.04 0.00 -2.12 0.00 0.00 56.10 53.14 3b8s s TRP 465 Cb 0.00 -1.52 -0.05 0.00 -0.81 0.00 0.00 33.47 31.09 3b8s s TRP 465 CO -0.06 0.20 -0.03 -1.83 -0.51 0.00 0.00 176.95 174.72 3b8s s GLU 466 N -3.80 1.35 0.00 4.98 -1.05 -0.03 -1.76 118.70 118.39 3b8s s GLU 466 Ca 0.31 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 3b8s s GLU 466 Cb 0.08 -0.75 0.00 0.00 -0.44 0.00 0.00 34.13 33.02 3b8s s GLU 466 CO 0.15 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.73 3b8s n GLY 467 N -0.43 0.81 2.92 -3.83 0.00 -0.82 -1.08 105.19 102.77 3b8s n GLY 467 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3b8s n GLY 467 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3b8s n VAL 468 N -2.28 3.57 -2.65 1.61 0.31 0.63 -4.36 118.33 115.17 3b8s n VAL 468 Ca 0.00 -3.27 -0.30 0.00 -0.01 0.00 0.00 64.34 60.76 3b8s n VAL 468 Cb 0.00 -2.55 -0.02 0.00 -0.91 0.00 0.00 33.84 30.36 3b8s n VAL 468 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3b8s s THR 469 N 3.39 4.75 0.53 2.52 -4.23 -1.26 -4.41 115.64 116.93 3b8s s THR 469 Ca 0.48 0.70 0.31 0.00 -1.18 0.00 0.00 61.69 62.00 3b8s s THR 469 Cb 0.12 -3.76 0.48 0.00 1.34 0.00 0.00 72.50 70.68 3b8s s THR 469 CO -0.05 -0.66 1.88 -0.65 -0.54 0.00 0.00 174.62 174.60 3b8s h PRO 470 N 0.91 0.04 0.00 3.99 0.11 -1.93 -0.62 132.00 134.49 3b8s h PRO 470 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3b8s h PRO 470 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b8s h PRO 470 CO 0.63 0.03 0.00 0.38 -0.21 0.00 0.00 178.00 178.83 3b8s h ASP 471 N 0.04 0.00 0.94 -2.05 2.03 -1.96 -2.78 116.42 112.64 3b8s h ASP 471 Ca 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 3b8s h ASP 471 Cb 1.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.21 3b8s h ASP 471 CO -0.03 0.00 -0.28 0.35 -1.03 0.00 0.00 179.24 178.25 3b8s n THR 472 N -2.90 0.21 -2.60 1.15 -2.24 -0.24 -4.91 114.28 102.76 3b8s n THR 472 Ca 0.01 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3b8s n THR 472 Cb 0.26 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 3b8s n THR 472 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3b8s s LEU 473 N -3.63 4.48 0.18 3.22 1.02 -1.05 -4.11 118.68 118.80 3b8s s LEU 473 Ca 0.11 1.96 0.18 0.00 0.02 0.00 0.00 54.13 56.39 3b8s s LEU 473 Cb 0.16 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.76 3b8s s LEU 473 CO 0.63 -0.18 1.11 0.71 0.02 0.00 0.00 176.35 178.65 3b8s h THR 474 N 3.92 0.46 -3.69 5.49 1.35 -1.84 -3.42 112.91 115.18 3b8s h THR 474 Ca -0.43 -1.78 -0.64 0.00 -0.55 0.00 0.00 66.41 63.00 3b8s h THR 474 Cb 1.21 2.03 -0.38 0.00 -1.73 0.00 0.00 68.15 69.28 3b8s h THR 474 CO 0.73 0.26 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.87 3b8s s ASP 475 N -5.93 4.35 0.66 5.36 2.15 -1.26 -5.01 116.67 116.99 3b8s s ASP 475 Ca 0.00 -1.59 0.37 0.00 0.43 0.00 0.00 52.55 51.77 3b8s s ASP 475 Cb 0.08 -1.42 2.02 0.00 -0.30 0.00 0.00 42.92 43.31 3b8s s ASP 475 CO 0.78 -0.28 2.14 1.55 -0.17 0.00 0.00 175.17 179.19 3b8s h PRO 476 N 7.80 0.00 -0.00 4.34 0.13 -1.93 0.77 132.00 143.11 3b8s h PRO 476 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3b8s h PRO 476 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3b8s h PRO 476 CO 0.47 0.00 -0.26 0.09 -0.23 0.00 0.00 178.00 178.07 3b8s n ASN 477 N -2.96 0.65 -3.61 1.44 3.02 -1.26 -4.80 115.26 107.73 3b8s n ASN 477 Ca -0.02 -0.53 -0.28 0.00 -0.03 0.00 0.00 54.58 53.72 3b8s n ASN 477 Cb 0.22 0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 39.29 3b8s n ASN 477 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b8s s ASP 478 N -2.66 3.23 0.44 6.41 2.15 0.26 -5.00 116.67 121.50 3b8s s ASP 478 Ca 0.21 -1.11 0.30 0.00 0.43 0.00 0.00 52.55 52.39 3b8s s ASP 478 Cb 0.19 -0.44 1.50 0.00 -0.30 0.00 0.00 42.92 43.87 3b8s s ASP 478 CO 0.55 -0.39 1.92 1.55 -0.17 0.00 0.00 175.17 178.62 3b8s h PRO 479 N 8.34 0.00 0.00 4.34 0.13 -1.87 -1.88 132.00 141.05 3b8s h PRO 479 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3b8s h PRO 479 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3b8s h PRO 479 CO 0.39 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 176.83 3b8s n MET 480 N -2.61 0.02 -0.12 0.86 2.81 -1.26 -1.63 117.12 115.19 3b8s n MET 480 Ca -0.01 0.28 0.11 0.00 -1.81 0.00 0.00 57.70 56.28 3b8s n MET 480 Cb 0.13 -1.53 0.28 0.00 -0.71 0.00 0.00 33.22 31.39 3b8s n MET 480 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3b8s n THR 481 N -1.56 0.31 -1.88 2.03 -2.24 -0.71 -4.60 114.28 105.63 3b8s n THR 481 Ca 0.03 -0.54 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 3b8s n THR 481 Cb 0.16 0.79 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3b8s n THR 481 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8s n GLY 482 N 1.33 0.07 2.93 3.38 0.00 -0.65 -2.91 105.19 109.35 3b8s n GLY 482 Ca 0.17 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 3b8s n GLY 482 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8s s THR 483 N -0.61 0.57 0.52 2.61 2.01 -1.26 -4.43 115.64 115.04 3b8s s THR 483 Ca 0.09 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 3b8s s THR 483 Cb -0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 3b8s s THR 483 CO 0.06 0.21 0.84 0.00 -0.69 0.00 0.00 174.62 175.04 3b8s s ALA 484 N 0.56 3.34 -0.06 7.40 0.00 -0.65 -3.79 121.76 128.56 3b8s s ALA 484 Ca -0.08 -0.49 0.16 0.00 0.00 0.00 0.00 51.96 51.55 3b8s s ALA 484 Cb -0.11 -2.66 -0.23 0.00 0.00 0.00 0.00 23.12 20.12 3b8s s ALA 484 CO 0.00 -0.49 0.27 0.25 0.00 0.00 0.00 175.76 175.80 3b8s n THR 485 N -2.39 0.28 -3.82 0.00 -2.24 -0.24 -4.83 114.28 101.04 3b8s n THR 485 Ca 0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3b8s n THR 485 Cb 0.55 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3b8s n THR 485 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8s n GLY 486 N 1.71 0.66 3.82 3.38 0.00 -1.16 -5.02 105.19 108.59 3b8s n GLY 486 Ca -0.09 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3b8s n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8s s LYS 487 N -2.00 3.81 0.21 1.61 1.02 -1.26 -0.85 119.74 122.28 3b8s s LYS 487 Ca 0.04 1.09 -0.32 0.00 0.02 0.00 0.00 55.97 56.79 3b8s s LYS 487 Cb -0.00 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 35.07 3b8s s LYS 487 CO 0.00 -0.40 1.63 -0.11 -0.92 0.00 0.00 175.35 175.56 3b8s n LEU 488 N -1.50 3.71 -4.56 3.17 7.94 -0.54 -4.05 117.00 121.17 3b8s n LEU 488 Ca 0.07 1.09 -0.24 0.00 -1.11 0.00 0.00 56.01 55.82 3b8s n LEU 488 Cb 0.54 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.88 3b8s n LEU 488 CO 0.44 -0.02 -0.40 -0.54 -1.11 0.00 0.00 177.39 175.76 3b8s s LYS 489 N 0.68 2.01 0.00 1.96 3.01 -1.26 0.23 119.74 126.37 3b8s s LYS 489 Ca 0.74 -1.51 0.00 0.00 -1.01 0.00 0.00 55.97 54.19 3b8s s LYS 489 Cb -0.57 -2.02 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 3b8s s LYS 489 CO 0.38 0.37 0.00 0.41 0.51 0.00 0.00 175.35 177.02 3b8s n GLY 490 N -0.57 -1.11 3.76 -3.33 0.00 -1.26 -5.01 105.19 97.66 3b8s n GLY 490 Ca -0.07 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 3b8s n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b8s s SER 491 N -4.00 5.24 0.55 1.61 1.04 -1.26 -4.91 113.70 111.97 3b8s s SER 491 Ca 0.00 -0.31 0.30 0.00 0.48 0.00 0.00 55.95 56.42 3b8s s SER 491 Cb 0.00 -1.26 1.60 0.00 0.10 0.00 0.00 66.02 66.47 3b8s s SER 491 CO 0.00 0.01 2.12 0.71 0.98 0.00 0.00 173.24 177.06 3b8s h THR 492 N 1.84 0.43 -0.15 2.02 1.35 -1.92 -1.69 112.91 114.79 3b8s h THR 492 Ca -0.47 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 3b8s h THR 492 Cb 1.23 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 3b8s h THR 492 CO 0.61 0.08 -0.05 0.00 -0.25 0.00 0.00 175.52 175.91 3b8s h ALA 493 N 1.92 1.65 -0.11 6.62 0.00 -1.95 -1.65 119.26 125.74 3b8s h ALA 493 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b8s h ALA 493 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3b8s h ALA 493 CO 0.01 0.26 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3b8s n GLN 494 N -4.36 1.72 -0.73 0.00 6.02 -0.76 -4.92 117.38 114.36 3b8s n GLN 494 Ca -0.01 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 3b8s n GLN 494 Cb 0.20 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3b8s n GLN 494 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b8s n GLY 495 N 1.15 0.56 3.33 1.08 0.00 -0.62 -4.30 105.19 106.40 3b8s n GLY 495 Ca 0.17 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 3b8s n GLY 495 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 496 N -2.00 5.29 -0.83 1.61 1.01 -0.71 -1.08 120.40 123.68 3b8s s VAL 496 Ca 0.00 -1.81 0.24 0.00 0.00 0.00 0.00 61.98 60.41 3b8s s VAL 496 Cb 0.00 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 3b8s s VAL 496 CO 0.00 -0.99 1.19 0.79 0.00 0.00 0.00 175.10 176.09 3b8s n TRP 497 N 4.96 0.14 -3.67 5.22 7.02 -1.26 -3.05 117.44 126.81 3b8s n TRP 497 Ca -0.01 0.04 -0.14 0.00 -1.02 0.00 0.00 57.50 56.37 3b8s n TRP 497 Cb 0.43 -0.31 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 3b8s n TRP 497 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3b8s s GLU 498 N -3.08 0.71 0.21 -0.99 2.12 -1.26 -5.05 118.70 111.35 3b8s s GLU 498 Ca 0.08 0.67 -0.32 0.00 0.36 0.00 0.00 54.97 55.75 3b8s s GLU 498 Cb 0.16 0.34 -0.14 0.00 0.26 0.00 0.00 34.13 34.75 3b8s s GLU 498 CO 0.76 -0.12 1.43 -0.25 -0.54 0.00 0.00 175.26 176.54 3b8s n ASP 499 N 2.45 2.68 0.00 -1.70 8.00 -1.26 -2.23 116.55 124.49 3b8s n ASP 499 Ca -0.15 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3b8s n ASP 499 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3b8s n ASP 499 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8s n GLY 500 N 2.47 0.64 2.90 0.44 0.00 0.14 -4.87 105.19 106.90 3b8s n GLY 500 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3b8s n GLY 500 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8s s VAL 501 N -2.57 0.36 -0.04 1.61 1.01 -0.94 -1.23 120.40 118.59 3b8s s VAL 501 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3b8s s VAL 501 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3b8s s VAL 501 CO 0.00 0.14 0.09 -0.51 0.00 0.00 0.00 175.10 174.82 3b8s s ILE 502 N 0.42 -0.03 0.32 2.22 2.07 -0.53 -4.05 121.20 121.63 3b8s s ILE 502 Ca -0.05 0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 59.02 3b8s s ILE 502 Cb -0.08 -0.15 -0.13 0.00 0.13 0.00 0.00 42.46 42.24 3b8s s ILE 502 CO -0.00 0.05 1.29 0.47 -1.91 0.00 0.00 174.94 174.83 3b8s n ASP 503 N 3.71 2.66 -0.29 4.50 8.00 -0.24 -0.05 116.55 134.84 3b8s n ASP 503 Ca -0.21 1.20 0.07 0.00 0.71 0.00 0.00 54.79 56.55 3b8s n ASP 503 Cb 0.55 -1.46 0.22 0.00 -0.02 0.00 0.00 41.12 40.40 3b8s n ASP 503 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3b8s h TYR 504 N 2.77 0.76 -0.00 1.24 3.20 -0.93 -1.06 116.97 122.95 3b8s h TYR 504 Ca -0.45 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.41 3b8s h TYR 504 Cb 1.29 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 3b8s h TYR 504 CO 0.51 0.19 -0.17 1.57 -1.64 0.00 0.00 178.16 178.62 3b8s h LYS 505 N 0.63 0.01 -0.25 1.82 2.10 -1.35 -0.07 116.57 119.44 3b8s h LYS 505 Ca 0.45 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.05 3b8s h LYS 505 Cb 0.62 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 3b8s h LYS 505 CO -0.35 0.18 -0.05 0.78 -2.00 0.00 0.00 179.45 178.00 3b8s h GLY 506 N 0.53 0.52 0.51 0.07 0.00 -1.42 -1.31 103.07 101.98 3b8s h GLY 506 Ca -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 46.95 3b8s h GLY 506 CO 0.02 0.39 -0.10 -2.22 0.00 0.00 0.00 176.54 174.63 3b8s h ILE 507 N 0.23 0.69 -0.58 2.60 2.04 -0.42 0.07 117.51 122.15 3b8s h ILE 507 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3b8s h ILE 507 Cb 0.52 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3b8s h ILE 507 CO 0.02 0.00 0.36 0.50 0.00 0.00 0.00 178.15 179.03 3b8s h LYS 508 N -0.09 0.78 0.00 2.37 1.63 -1.03 0.24 116.57 120.47 3b8s h LYS 508 Ca 0.10 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.70 3b8s h LYS 508 Cb 0.24 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3b8s h LYS 508 CO -0.24 0.55 -0.64 0.77 -3.45 0.00 0.00 179.45 176.44 3b8s h SER 509 N 0.78 0.00 0.00 4.20 0.02 -1.00 -1.40 113.55 116.16 3b8s h SER 509 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3b8s h SER 509 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3b8s h SER 509 CO -0.04 0.64 0.00 0.49 -1.14 0.00 0.00 176.83 176.78 3b8s n PHE 510 N -3.52 0.00 0.00 3.45 3.72 -0.01 -4.75 117.46 116.35 3b8s n PHE 510 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3b8s n PHE 510 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3b8s n PHE 510 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3b8s n MET 511 N -0.50 0.00 -0.08 -1.08 2.81 0.60 -4.45 117.12 114.42 3b8s n MET 511 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.74 3b8s n MET 511 Cb 0.02 -0.71 -0.10 0.00 -0.71 0.00 0.00 33.22 31.72 3b8s n MET 511 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3b8s h LEU 512 N 0.00 0.00 -0.06 4.03 3.38 -0.99 0.39 115.31 122.06 3b8s h LEU 512 Ca 0.00 -0.59 0.08 0.00 0.09 0.00 0.00 57.88 57.45 3b8s h LEU 512 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3b8s h LEU 512 CO 0.00 1.15 -0.12 0.61 0.09 0.00 0.00 178.44 180.17 3b8s n GLY 513 N 1.55 -1.53 0.33 0.83 0.00 -0.53 -0.62 105.19 105.22 3b8s n GLY 513 Ca -0.19 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3b8s n GLY 513 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8s h ALA 514 N -0.26 -0.61 -0.86 4.61 0.00 -1.98 -3.09 119.26 117.06 3b8s h ALA 514 Ca 0.00 0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 3b8s h ALA 514 Cb 0.26 1.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.73 3b8s h ALA 514 CO 0.00 -0.83 -0.20 0.09 0.00 0.00 0.00 179.25 178.32 3b8s n ASN 515 N -4.65 5.93 -2.63 0.00 3.02 -1.26 -4.90 115.26 110.77 3b8s n ASN 515 Ca -0.02 -3.76 -0.19 0.00 -0.03 0.00 0.00 54.58 50.58 3b8s n ASN 515 Cb 0.24 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3b8s n ASN 515 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3b8s n ASN 516 N -0.77 -5.18 0.19 6.41 3.02 -1.17 -4.88 115.26 112.88 3b8s n ASN 516 Ca 0.51 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 3b8s n ASN 516 Cb 0.84 -4.30 0.34 0.00 -0.61 0.00 0.00 39.78 36.06 3b8s n ASN 516 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3b8s h THR 517 N -0.38 0.00 -0.21 3.41 1.35 -1.75 -3.40 112.91 111.93 3b8s h THR 517 Ca -0.44 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3b8s h THR 517 Cb 1.32 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3b8s h THR 517 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3b8s n GLY 518 N 0.90 -1.86 3.35 5.82 0.00 0.21 -4.76 105.19 108.84 3b8s n GLY 518 Ca 0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 3b8s n GLY 518 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b8s s ILE 519 N -0.48 1.15 -1.46 -0.61 -4.36 0.13 -4.82 121.20 110.75 3b8s s ILE 519 Ca 0.00 -2.05 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 3b8s s ILE 519 Cb 0.00 -2.35 0.07 0.00 1.25 0.00 0.00 42.46 41.43 3b8s s ILE 519 CO 0.00 -0.33 0.75 0.59 0.24 0.00 0.00 174.94 176.18 3b8s n ASN 520 N -0.44 -4.67 0.00 4.36 3.02 -1.26 -1.61 115.26 114.66 3b8s n ASN 520 Ca -0.05 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3b8s n ASN 520 Cb 0.64 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 3b8s n ASN 520 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b8s n GLY 521 N -1.48 1.53 3.82 7.41 0.00 -1.26 -5.04 105.19 110.16 3b8s n GLY 521 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3b8s n GLY 521 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b8s s PHE 522 N -2.58 3.63 0.05 1.61 0.40 -0.63 -4.19 117.98 116.27 3b8s s PHE 522 Ca 0.00 1.36 0.09 0.00 -0.60 0.00 0.00 56.93 57.78 3b8s s PHE 522 Cb 0.00 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 3b8s s PHE 522 CO 0.00 0.32 -0.25 -1.83 0.70 0.00 0.00 175.22 174.17 3b8s s GLU 523 N -2.04 1.67 0.13 0.44 -1.05 0.09 -3.27 118.70 114.67 3b8s s GLU 523 Ca 0.44 -1.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.00 3b8s s GLU 523 Cb -0.16 -1.83 -0.07 0.00 -0.44 0.00 0.00 34.13 31.62 3b8s s GLU 523 CO 0.21 0.47 0.63 -0.47 0.95 0.00 0.00 175.26 177.05 3b8s s TYR 524 N -0.81 3.76 0.15 4.83 6.14 -1.26 -0.88 117.35 129.28 3b8s s TYR 524 Ca 0.10 1.32 -0.04 0.00 0.64 0.00 0.00 57.07 59.09 3b8s s TYR 524 Cb -0.10 -2.54 -0.03 0.00 0.42 0.00 0.00 41.96 39.71 3b8s s TYR 524 CO 0.02 0.50 0.16 0.20 0.64 0.00 0.00 175.55 177.08 3b8s s GLY 525 N -1.32 0.81 -0.16 8.97 0.00 -0.42 -4.99 107.32 110.21 3b8s s GLY 525 Ca 0.34 -1.24 -0.08 0.00 0.00 0.00 0.00 44.72 43.75 3b8s s GLY 525 CO 0.21 -1.14 0.36 -0.47 0.00 0.00 0.00 173.10 172.06 3b8s s TYR 526 N -4.02 -0.55 -0.64 1.90 5.04 -1.26 -0.85 117.35 116.96 3b8s s TYR 526 Ca 0.22 1.18 -0.23 0.00 -2.44 0.00 0.00 57.07 55.81 3b8s s TYR 526 Cb 0.06 0.20 0.06 0.00 0.35 0.00 0.00 41.96 42.63 3b8s s TYR 526 CO 0.02 -0.34 0.98 0.34 -1.34 0.00 0.00 175.55 175.21 3b8s s ASP 527 N 1.59 6.21 0.45 4.32 -1.08 0.41 -4.90 116.67 123.67 3b8s s ASP 527 Ca -0.08 -0.81 0.17 0.00 -0.52 0.00 0.00 52.55 51.32 3b8s s ASP 527 Cb -0.10 -2.43 1.06 0.00 -1.46 0.00 0.00 42.92 40.00 3b8s s ASP 527 CO -0.12 -1.42 1.98 0.00 0.52 0.00 0.00 175.17 176.14 3b8s h ALA 528 N 9.54 1.53 -0.01 3.66 0.00 -1.97 0.17 119.26 132.17 3b8s h ALA 528 Ca -0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3b8s h ALA 528 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3b8s h ALA 528 CO 1.17 0.25 -0.02 0.37 0.00 0.00 0.00 179.25 181.02 3b8s h GLN 529 N 0.00 0.03 0.00 0.00 4.15 -1.90 -3.31 115.11 114.08 3b8s h GLN 529 Ca -0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 3b8s h GLN 529 Cb 0.39 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3b8s h GLN 529 CO 0.03 0.64 -0.41 0.00 -1.93 0.00 0.00 178.83 177.16 3b8s h ALA 530 N 0.39 0.86 -4.98 3.38 0.00 -1.58 -3.42 119.26 113.92 3b8s h ALA 530 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3b8s h ALA 530 Cb 0.64 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.43 3b8s h ALA 530 CO 0.00 0.51 -0.27 0.39 0.00 0.00 0.00 179.25 179.89 3b8s n GLU 531 N -3.38 -1.38 -3.66 0.00 -0.58 0.57 -0.98 120.64 111.23 3b8s n GLU 531 Ca 0.01 1.09 -0.08 0.00 -0.42 0.00 0.00 57.16 57.76 3b8s n GLU 531 Cb 0.59 -5.04 -0.09 0.00 -0.57 0.00 0.00 31.44 26.33 3b8s n GLU 531 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3b8s s ALA 532 N -3.12 -1.24 0.48 0.62 0.00 -1.06 -3.92 121.76 113.52 3b8s s ALA 532 Ca 0.14 1.62 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 3b8s s ALA 532 Cb -0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3b8s s ALA 532 CO 0.61 -0.66 0.80 -1.25 0.00 0.00 0.00 175.76 175.27 3b8s s PRO 533 N 2.35 3.56 0.09 0.00 0.04 -1.26 -0.45 135.00 139.34 3b8s s PRO 533 Ca -0.04 0.26 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 3b8s s PRO 533 Cb -0.11 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 3b8s s PRO 533 CO -0.14 -0.22 0.18 1.67 0.04 0.00 0.00 177.00 178.54 3b8s s TRP 534 N -2.74 0.17 -0.00 0.56 1.48 -0.03 -3.61 118.94 114.76 3b8s s TRP 534 Ca 0.48 -0.60 0.08 0.00 -1.06 0.00 0.00 56.10 55.00 3b8s s TRP 534 Cb -0.10 -0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.11 3b8s s TRP 534 CO 0.44 -0.54 -0.26 0.14 -4.06 0.00 0.00 176.95 172.67 3b8s s VAL 535 N -3.87 2.04 -0.05 -0.66 -7.23 -0.87 -1.30 120.40 108.47 3b8s s VAL 535 Ca 0.05 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 3b8s s VAL 535 Cb 0.05 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.31 3b8s s VAL 535 CO -0.11 0.51 0.09 0.86 -0.31 0.00 0.00 175.10 176.14 3b8s s TRP 536 N -0.66 -0.04 -0.41 2.82 -0.00 -0.06 -1.35 118.94 119.24 3b8s s TRP 536 Ca 0.10 0.34 -0.14 0.00 -0.00 0.00 0.00 56.10 56.40 3b8s s TRP 536 Cb -0.10 -0.29 0.03 0.00 -0.00 0.00 0.00 33.47 33.11 3b8s s TRP 536 CO -0.00 -0.18 0.29 1.21 -0.00 0.00 0.00 176.95 178.27 3b8s s ASN 537 N 1.71 6.02 0.56 5.86 3.84 0.50 -0.73 114.94 132.70 3b8s s ASN 537 Ca -0.02 -1.00 0.35 0.00 0.21 0.00 0.00 52.86 52.40 3b8s s ASN 537 Cb -0.12 -2.13 1.56 0.00 -0.55 0.00 0.00 41.25 40.01 3b8s s ASN 537 CO -0.04 -0.46 2.06 0.03 -2.79 0.00 0.00 177.10 175.89 3b8s h ARG 538 N 8.60 0.00 0.00 0.43 3.08 -1.86 0.17 114.38 124.80 3b8s h ARG 538 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3b8s h ARG 538 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3b8s h ARG 538 CO 0.74 0.03 -0.07 1.03 -1.07 0.00 0.00 179.97 180.63 3b8s h SER 539 N 0.00 0.00 1.53 7.04 0.87 -1.93 -3.37 113.55 117.69 3b8s h SER 539 Ca -0.00 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3b8s h SER 539 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3b8s h SER 539 CO 0.00 0.88 -0.22 0.71 -0.53 0.00 0.00 176.83 177.67 3b8s h THR 540 N -1.00 0.00 -0.29 2.23 1.35 -1.95 -3.47 112.91 109.77 3b8s h THR 540 Ca -0.02 -0.75 -0.13 0.00 -0.55 0.00 0.00 66.41 64.97 3b8s h THR 540 Cb 0.72 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 3b8s h THR 540 CO -0.01 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 175.76 3b8s n GLY 541 N 1.21 0.82 3.71 5.82 0.00 0.58 -1.94 105.19 115.40 3b8s n GLY 541 Ca 0.04 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3b8s n GLY 541 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8s s GLU 542 N -2.15 4.37 -0.04 1.61 2.02 -1.10 -0.27 118.70 123.14 3b8s s GLU 542 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 54.97 56.90 3b8s s GLU 542 Cb 0.00 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.91 3b8s s GLU 542 CO 0.00 -0.38 0.00 -1.17 0.02 0.00 0.00 175.26 173.73 3b8s s LEU 543 N 1.31 1.01 -0.07 1.80 2.96 -0.72 -0.37 118.68 124.59 3b8s s LEU 543 Ca 0.61 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3b8s s LEU 543 Cb -0.32 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.11 3b8s s LEU 543 CO 0.29 -0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.43 3b8s s ILE 544 N 1.25 1.24 -0.13 6.68 1.01 -0.45 -0.77 121.20 130.02 3b8s s ILE 544 Ca -0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3b8s s ILE 544 Cb -0.13 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3b8s s ILE 544 CO -0.02 0.38 -0.08 0.28 0.00 0.00 0.00 174.94 175.50 3b8s s THR 545 N 0.62 3.55 0.17 2.92 -1.32 0.05 -2.05 115.64 119.58 3b8s s THR 545 Ca -0.15 -0.49 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 3b8s s THR 545 Cb -0.16 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3b8s s THR 545 CO 0.04 0.52 0.29 2.22 -2.21 0.00 0.00 174.62 175.48 3b8s n PHE 546 N 3.36 -1.27 -4.26 9.09 -1.74 -1.24 -1.08 117.46 120.31 3b8s n PHE 546 Ca -0.18 -0.95 -0.35 0.00 -0.56 0.00 0.00 57.45 55.41 3b8s n PHE 546 Cb 0.53 0.34 -0.09 0.00 1.52 0.00 0.00 39.48 41.78 3b8s n PHE 546 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3b8s s ASP 547 N -1.96 5.43 0.17 5.98 1.01 -1.26 -4.11 116.67 121.93 3b8s s ASP 547 Ca 0.10 0.17 0.01 0.00 0.71 0.00 0.00 52.55 53.54 3b8s s ASP 547 Cb -0.01 -1.55 -0.00 0.00 1.01 0.00 0.00 42.92 42.36 3b8s s ASP 547 CO 0.07 0.36 0.04 -0.90 0.21 0.00 0.00 175.17 174.95 3b8s n ASP 548 N 1.90 1.51 -0.10 0.27 5.75 -1.26 -4.92 116.55 119.71 3b8s n ASP 548 Ca -0.18 -1.87 -0.06 0.00 -0.01 0.00 0.00 54.79 52.68 3b8s n ASP 548 Cb 0.54 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 3b8s n ASP 548 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 3b8s h HIS 549 N 1.22 -0.23 0.06 2.11 -0.00 -1.96 -1.05 115.15 115.30 3b8s h HIS 549 Ca -0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 3b8s h HIS 549 Cb 0.49 0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 3b8s h HIS 549 CO 0.00 -0.17 -0.04 -0.09 -0.00 0.00 0.00 177.93 177.63 3b8s h ARG 550 N -0.02 -0.10 -0.20 5.26 2.43 -1.98 -0.68 114.38 119.09 3b8s h ARG 550 Ca 0.17 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3b8s h ARG 550 Cb 0.28 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3b8s h ARG 550 CO -0.38 -0.07 -0.24 0.66 -1.51 0.00 0.00 179.97 178.44 3b8s h SER 551 N -0.11 0.35 -0.17 -3.80 4.64 -1.80 -1.67 113.55 111.01 3b8s h SER 551 Ca -0.00 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.02 3b8s h SER 551 Cb 0.09 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3b8s h SER 551 CO -0.00 0.60 -0.59 0.58 -0.87 0.00 0.00 176.83 176.55 3b8s h VAL 552 N 0.32 1.29 -0.78 0.95 2.07 -1.08 -1.29 116.25 117.72 3b8s h VAL 552 Ca 0.05 -1.79 0.05 0.00 0.82 0.00 0.00 66.70 65.83 3b8s h VAL 552 Cb 0.60 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 3b8s h VAL 552 CO 0.04 0.57 0.48 -0.07 0.02 0.00 0.00 177.57 178.62 3b8s h LEU 553 N 0.58 0.76 -0.91 2.57 3.38 -0.84 0.17 115.31 121.02 3b8s h LEU 553 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3b8s h LEU 553 Cb 1.18 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3b8s h LEU 553 CO 0.12 0.50 0.35 0.00 0.09 0.00 0.00 178.44 179.51 3b8s h ALA 554 N 1.36 1.14 -0.36 1.53 0.00 -1.11 0.50 119.26 122.33 3b8s h ALA 554 Ca 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3b8s h ALA 554 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3b8s h ALA 554 CO -0.15 0.63 -0.04 0.87 0.00 0.00 0.00 179.25 180.56 3b8s h LYS 555 N 1.12 0.66 -0.44 0.00 1.57 -0.64 -1.28 116.57 117.57 3b8s h LYS 555 Ca 0.27 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3b8s h LYS 555 Cb 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3b8s h LYS 555 CO -0.03 0.80 0.21 0.78 -0.57 0.00 0.00 179.45 180.63 3b8s h GLY 556 N 0.46 0.59 1.13 3.86 0.00 -0.39 -0.40 103.07 108.32 3b8s h GLY 556 Ca 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3b8s h GLY 556 CO 0.03 0.09 0.33 -0.57 0.00 0.00 0.00 176.54 176.41 3b8s h ASN 557 N 0.41 1.02 -0.23 0.19 -1.24 -0.81 -2.08 115.58 112.84 3b8s h ASN 557 Ca 0.19 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 3b8s h ASN 557 Cb 0.12 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 3b8s h ASN 557 CO -0.15 0.89 0.11 0.22 -1.29 0.00 0.00 177.43 177.21 3b8s h TYR 558 N 1.10 0.34 -0.73 0.67 3.20 -0.86 -2.07 116.97 118.62 3b8s h TYR 558 Ca 0.26 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3b8s h TYR 558 Cb 0.17 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3b8s h TYR 558 CO 0.02 0.34 0.47 0.00 -1.64 0.00 0.00 178.16 177.35 3b8s h ALA 559 N 0.97 0.93 -0.49 1.82 0.00 -0.88 -2.32 119.26 119.29 3b8s h ALA 559 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3b8s h ALA 559 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3b8s h ALA 559 CO -0.01 0.37 0.27 0.87 0.00 0.00 0.00 179.25 180.75 3b8s h LYS 560 N 0.99 0.68 -0.83 0.00 1.57 -1.30 -0.43 116.57 117.26 3b8s h LYS 560 Ca 0.27 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3b8s h LYS 560 Cb -0.09 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3b8s h LYS 560 CO -0.06 0.53 0.41 0.77 -0.57 0.00 0.00 179.45 180.54 3b8s h SER 561 N 0.65 1.07 0.33 0.86 0.02 -1.05 -2.88 113.55 112.55 3b8s h SER 561 Ca 0.17 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3b8s h SER 561 Cb 0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3b8s h SER 561 CO -0.03 0.89 -0.39 0.18 -1.14 0.00 0.00 176.83 176.35 3b8s n LEU 562 N -4.35 0.84 -2.54 5.07 4.77 -0.90 -4.96 117.00 114.93 3b8s n LEU 562 Ca 0.08 -0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 3b8s n LEU 562 Cb 0.13 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3b8s n LEU 562 CO 0.39 0.17 0.15 0.61 -1.33 0.00 0.00 177.39 177.38 3b8s n GLY 563 N 1.41 -0.04 3.73 -0.72 0.00 -0.51 -4.84 105.19 104.22 3b8s n GLY 563 Ca 0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3b8s n GLY 563 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b8s s LEU 564 N -5.09 2.45 0.39 0.99 1.43 -0.29 -3.19 118.68 115.39 3b8s s LEU 564 Ca 0.32 1.57 0.09 0.00 -1.03 0.00 0.00 54.13 55.08 3b8s s LEU 564 Cb -0.14 -4.06 0.81 0.00 0.03 0.00 0.00 46.19 42.83 3b8s s LEU 564 CO 0.48 -2.48 1.94 0.00 0.23 0.00 0.00 176.35 176.52 3b8s h ALA 565 N -1.44 1.55 0.00 4.21 0.00 -0.59 -3.45 119.26 119.54 3b8s h ALA 565 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3b8s h ALA 565 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3b8s h ALA 565 CO 0.54 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3b8s n GLY 566 N -0.99 -0.03 3.32 0.00 0.00 -1.24 -1.26 105.19 104.99 3b8s n GLY 566 Ca -0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3b8s n GLY 566 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b8s s LEU 567 N 0.00 2.36 0.19 0.99 1.43 0.29 -1.37 118.68 122.57 3b8s s LEU 567 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3b8s s LEU 567 Cb 0.00 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3b8s s LEU 567 CO 0.00 0.04 0.08 0.72 0.23 0.00 0.00 176.35 177.42 3b8s s PHE 568 N -1.48 1.20 0.03 0.29 -0.71 -0.51 -0.84 117.98 115.95 3b8s s PHE 568 Ca 0.11 -1.24 -0.06 0.00 -1.04 0.00 0.00 56.93 54.71 3b8s s PHE 568 Cb -0.08 -0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 41.07 3b8s s PHE 568 CO 0.05 -0.46 0.10 -1.54 -1.34 0.00 0.00 175.22 172.03 3b8s s SER 569 N -3.18 0.16 -0.05 1.98 1.04 -0.57 -0.47 113.70 112.61 3b8s s SER 569 Ca 0.33 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 3b8s s SER 569 Cb 0.07 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.44 3b8s s SER 569 CO 0.09 -0.49 -0.01 0.86 0.98 0.00 0.00 173.24 174.67 3b8s s TRP 570 N -2.45 0.56 0.07 5.02 -0.11 -1.09 -2.10 118.94 118.84 3b8s s TRP 570 Ca -0.06 -0.11 0.07 0.00 1.22 0.00 0.00 56.10 57.22 3b8s s TRP 570 Cb -0.02 -0.65 -0.03 0.00 -1.50 0.00 0.00 33.47 31.26 3b8s s TRP 570 CO -0.04 -0.24 -0.20 -1.83 -4.62 0.00 0.00 176.95 170.02 3b8s s GLU 571 N 1.52 1.20 0.54 5.86 -1.05 -1.26 -0.84 118.70 124.67 3b8s s GLU 571 Ca -0.02 -1.03 0.21 0.00 -0.15 0.00 0.00 54.97 53.98 3b8s s GLU 571 Cb -0.13 -1.38 1.42 0.00 -0.44 0.00 0.00 34.13 33.60 3b8s s GLU 571 CO -0.03 0.33 2.13 -0.84 0.95 0.00 0.00 175.26 177.80 3b8s h ILE 572 N 4.24 0.82 0.00 1.83 -0.00 -1.71 -1.75 117.51 120.93 3b8s h ILE 572 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.41 3b8s h ILE 572 Cb 1.17 0.92 -0.00 0.00 -0.00 0.00 0.00 36.82 38.91 3b8s h ILE 572 CO 0.42 0.00 -0.05 -2.24 -0.00 0.00 0.00 178.15 176.28 3b8s h ASP 573 N 0.00 0.00 0.42 2.16 3.04 -1.97 -2.47 116.42 117.60 3b8s h ASP 573 Ca 0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 3b8s h ASP 573 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 3b8s h ASP 573 CO -0.00 0.05 -0.49 0.00 -2.04 0.00 0.00 179.24 176.76 3b8s n ALA 574 N -2.20 3.56 -2.20 4.15 0.00 -0.66 -4.87 120.51 118.28 3b8s n ALA 574 Ca -0.02 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 3b8s n ALA 574 Cb 0.18 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 3b8s n ALA 574 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3b8s s ASP 575 N -2.92 6.80 0.00 0.00 2.15 -0.93 -1.08 116.67 120.69 3b8s s ASP 575 Ca 0.13 1.22 0.19 0.00 0.43 0.00 0.00 52.55 54.52 3b8s s ASP 575 Cb 0.18 -2.35 0.25 0.00 -0.30 0.00 0.00 42.92 40.70 3b8s s ASP 575 CO 0.68 -0.12 1.19 -0.46 -0.17 0.00 0.00 175.17 176.30 3b8s n ASN 576 N -0.04 2.85 0.00 -0.34 0.23 -1.26 -4.86 115.26 111.84 3b8s n ASN 576 Ca 0.01 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 3b8s n ASN 576 Cb 0.53 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3b8s n ASN 576 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3b8s n GLY 577 N 1.11 0.94 0.23 4.83 0.00 -1.26 -4.41 105.19 106.63 3b8s n GLY 577 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3b8s n GLY 577 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3b8s h ASP 578 N 1.73 0.32 0.06 1.61 3.32 -1.93 -0.47 116.42 121.07 3b8s h ASP 578 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3b8s h ASP 578 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3b8s h ASP 578 CO 0.00 0.20 -0.03 0.40 -1.72 0.00 0.00 179.24 178.09 3b8s h ILE 579 N 0.48 1.21 -0.68 0.35 1.08 -1.94 -1.28 117.51 116.72 3b8s h ILE 579 Ca 0.28 -1.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 3b8s h ILE 579 Cb 0.29 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 3b8s h ILE 579 CO -0.25 0.24 0.29 0.25 -0.69 0.00 0.00 178.15 178.00 3b8s h LEU 580 N -0.54 0.90 -0.26 1.44 5.85 -1.99 0.20 115.31 120.91 3b8s h LEU 580 Ca -0.01 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3b8s h LEU 580 Cb 0.47 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3b8s h LEU 580 CO 0.01 0.79 -0.10 0.78 -0.34 0.00 0.00 178.44 179.59 3b8s h ASN 581 N 0.97 -0.33 0.31 1.25 4.21 -1.05 -2.28 115.58 118.65 3b8s h ASN 581 Ca 0.23 0.09 -0.07 0.00 1.21 0.00 0.00 56.30 57.77 3b8s h ASN 581 Cb 0.16 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 3b8s h ASN 581 CO -0.02 -0.13 -0.31 0.00 -1.29 0.00 0.00 177.43 175.68 3b8s h ALA 582 N 1.19 1.49 -0.30 -0.83 0.00 -0.54 -1.45 119.26 118.82 3b8s h ALA 582 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3b8s h ALA 582 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3b8s h ALA 582 CO -0.30 0.39 0.15 0.52 0.00 0.00 0.00 179.25 180.01 3b8s h MET 583 N 0.00 0.43 -0.28 0.00 2.86 -0.55 0.28 114.93 117.66 3b8s h MET 583 Ca -0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3b8s h MET 583 Cb 0.55 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3b8s h MET 583 CO 0.04 0.39 -0.06 0.45 1.06 0.00 0.00 176.91 178.79 3b8s h HIS 584 N 0.35 0.61 -0.28 -0.22 -0.00 -1.07 -2.69 115.15 111.85 3b8s h HIS 584 Ca 0.10 -0.13 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 3b8s h HIS 584 Cb 0.10 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 3b8s h HIS 584 CO -0.02 0.74 -0.13 0.93 -0.00 0.00 0.00 177.93 179.44 3b8s h GLU 585 N 0.30 0.47 0.00 2.45 5.08 -1.23 -2.25 114.58 119.41 3b8s h GLU 585 Ca 0.07 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3b8s h GLU 585 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3b8s h GLU 585 CO 0.03 0.60 -0.22 0.78 -1.00 0.00 0.00 179.01 179.20 3b8s h GLY 586 N 0.92 0.00 -0.89 -3.84 0.00 -0.88 -2.96 103.07 95.42 3b8s h GLY 586 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3b8s h GLY 586 CO 0.03 0.00 -0.17 1.03 0.00 0.00 0.00 176.54 177.43 3b8s n MET 587 N -3.42 1.58 0.00 4.80 2.81 -0.89 -3.18 117.12 118.82 3b8s n MET 587 Ca -0.00 -1.16 0.01 0.00 -1.81 0.00 0.00 57.70 54.73 3b8s n MET 587 Cb 0.41 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.49 3b8s n MET 587 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48