#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4o n ALA 8 N 0.00 -0.04 -0.43 2.24 0.00 -1.26 0.32 120.51 121.34 3a4o n ALA 8 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 3a4o n ALA 8 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 3a4o n ALA 8 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3a4o n TRP 9 N -2.92 0.00 -4.13 0.00 8.01 -1.26 -4.86 117.44 112.28 3a4o n TRP 9 Ca 0.00 -0.78 -0.33 0.00 -1.31 0.00 0.00 57.50 55.07 3a4o n TRP 9 Cb 0.02 -0.62 -0.07 0.00 -2.01 0.00 0.00 31.31 28.63 3a4o n TRP 9 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3a4o s GLU 10 N 0.83 3.06 -0.06 -0.99 0.41 0.94 -1.52 118.70 121.37 3a4o s GLU 10 Ca 0.11 -0.46 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 3a4o s GLU 10 Cb 0.05 -2.86 0.02 0.00 -1.78 0.00 0.00 34.13 29.56 3a4o s GLU 10 CO 0.00 0.66 0.15 -1.50 -0.49 0.00 0.00 175.26 174.09 3a4o s ILE 11 N -1.14 -0.01 0.72 -1.63 2.07 -1.14 -4.91 121.20 115.15 3a4o s ILE 11 Ca 0.21 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 3a4o s ILE 11 Cb -0.12 -0.23 0.02 0.00 0.13 0.00 0.00 42.46 42.26 3a4o s ILE 11 CO 0.12 0.01 1.07 -2.16 -1.91 0.00 0.00 174.94 172.07 3a4o s PRO 12 N 0.31 2.76 0.00 3.50 0.04 -1.26 -4.68 135.00 135.68 3a4o s PRO 12 Ca -0.02 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3a4o s PRO 12 Cb -0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3a4o s PRO 12 CO -0.01 -1.22 0.00 0.54 0.04 0.00 0.00 177.00 176.35 3a4o n ARG 13 N -3.21 0.19 0.00 4.56 1.74 -1.26 -3.90 116.66 114.79 3a4o n ARG 13 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3a4o n ARG 13 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 3a4o n ARG 13 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3a4o n GLU 14 N -0.68 0.00 0.03 5.56 0.00 -1.26 -4.40 120.64 119.89 3a4o n GLU 14 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 3a4o n GLU 14 Cb 0.00 -2.93 0.28 0.00 0.00 0.00 0.00 31.44 28.79 3a4o n GLU 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3a4o n SER 15 N 0.02 0.54 -4.37 -1.84 3.41 -1.25 -4.67 113.62 105.46 3a4o n SER 15 Ca 0.00 0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 58.34 3a4o n SER 15 Cb 0.00 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 3a4o n SER 15 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a4o s ILE 16 N -3.08 3.93 -0.28 -1.33 -1.09 -1.25 0.60 121.20 118.70 3a4o s ILE 16 Ca 0.09 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 3a4o s ILE 16 Cb 0.16 -2.89 0.07 0.00 -1.58 0.00 0.00 42.46 38.21 3a4o s ILE 16 CO 0.67 0.28 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.85 3a4o s LYS 17 N 1.54 2.14 0.19 2.79 2.36 -0.99 -4.91 119.74 122.85 3a4o s LYS 17 Ca 0.05 -1.44 -0.30 0.00 -2.55 0.00 0.00 55.97 51.74 3a4o s LYS 17 Cb -0.16 -2.99 -0.08 0.00 -1.05 0.00 0.00 37.83 33.55 3a4o s LYS 17 CO 0.01 -0.65 1.16 -0.51 1.55 0.00 0.00 175.35 176.92 3a4o s LEU 18 N 1.09 4.47 0.00 5.43 1.43 -1.26 -0.75 118.68 129.08 3a4o s LEU 18 Ca -0.05 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3a4o s LEU 18 Cb -0.20 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3a4o s LEU 18 CO -0.05 -0.32 0.00 0.52 0.23 0.00 0.00 176.35 176.73 3a4o n VAL 19 N 2.37 0.00 -2.25 -1.59 0.31 -1.26 -4.84 118.33 111.07 3a4o n VAL 19 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 3a4o n VAL 19 Cb 0.45 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 3a4o n VAL 19 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3a4o s LYS 20 N 0.00 3.48 0.20 5.55 2.47 -1.26 -4.82 119.74 125.36 3a4o s LYS 20 Ca 0.00 1.33 0.23 0.00 -1.56 0.00 0.00 55.97 55.97 3a4o s LYS 20 Cb 0.00 -2.05 0.05 0.00 -1.46 0.00 0.00 37.83 34.37 3a4o s LYS 20 CO 0.00 -0.70 1.09 0.00 0.16 0.00 0.00 175.35 175.91 3a4o h ARG 21 N 0.95 0.00 0.00 4.03 3.08 -1.94 0.11 114.38 120.61 3a4o h ARG 21 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3a4o h ARG 21 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3a4o h ARG 21 CO 0.58 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.76 3a4o n LEU 22 N -2.62 0.00 -4.58 3.04 4.77 -1.21 -4.21 117.00 112.19 3a4o n LEU 22 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 3a4o n LEU 22 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3a4o n LEU 22 CO 0.39 0.00 -0.27 -0.83 -1.33 0.00 0.00 177.39 175.35 3a4o s GLY 23 N 0.00 2.47 0.31 -0.72 0.00 -1.22 -4.96 107.32 103.21 3a4o s GLY 23 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.86 3a4o s GLY 23 CO 0.00 -2.01 0.40 0.00 0.00 0.00 0.00 173.10 171.50 3a4o s ALA 24 N -2.96 0.83 0.00 3.20 0.00 -1.26 0.79 121.76 122.36 3a4o s ALA 24 Ca 0.30 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3a4o s ALA 24 Cb 0.08 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.41 3a4o s ALA 24 CO 0.15 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3a4o n GLY 25 N -0.51 4.53 1.76 0.00 0.00 0.30 -4.98 105.19 106.29 3a4o n GLY 25 Ca 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 3a4o n GLY 25 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a4o n GLN 26 N 0.00 3.66 -0.49 1.61 -0.06 -1.26 -4.05 117.38 116.79 3a4o n GLN 26 Ca 0.00 -2.59 0.00 0.00 -2.00 0.00 0.00 57.00 52.41 3a4o n GLN 26 Cb 0.00 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 3a4o n GLN 26 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3a4o n PHE 27 N 0.15 0.00 0.00 3.69 3.72 -1.26 -4.75 117.46 119.00 3a4o n PHE 27 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 3a4o n PHE 27 Cb 1.16 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.82 3a4o n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a4o n GLY 28 N 0.00 0.62 2.37 1.37 0.00 -1.26 -3.18 105.19 105.12 3a4o n GLY 28 Ca 0.00 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 3a4o n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a4o n GLU 29 N 0.00 0.43 -4.05 1.61 1.02 -1.26 -0.54 120.64 117.84 3a4o n GLU 29 Ca 0.00 -2.45 -0.26 0.00 -0.02 0.00 0.00 57.16 54.43 3a4o n GLU 29 Cb 0.00 1.77 -0.17 0.00 -0.02 0.00 0.00 31.44 33.02 3a4o n GLU 29 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a4o s VAL 30 N -2.87 1.06 0.30 2.62 1.01 0.24 0.77 120.40 123.53 3a4o s VAL 30 Ca 0.24 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3a4o s VAL 30 Cb 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3a4o s VAL 30 CO 0.17 0.37 0.18 0.26 0.00 0.00 0.00 175.10 176.08 3a4o s TRP 31 N 1.47 2.88 -0.63 5.22 0.52 -0.44 -3.33 118.94 124.62 3a4o s TRP 31 Ca 0.01 -0.26 0.15 0.00 0.02 0.00 0.00 56.10 56.02 3a4o s TRP 31 Cb -0.13 -1.56 0.74 0.00 -1.15 0.00 0.00 33.47 31.37 3a4o s TRP 31 CO -0.06 0.38 1.64 -0.12 0.02 0.00 0.00 176.95 178.81 3a4o n MET 32 N -1.19 4.25 0.00 4.98 0.00 0.36 -1.06 117.12 124.46 3a4o n MET 32 Ca -0.04 -2.86 0.00 0.00 -0.00 0.00 0.00 57.70 54.80 3a4o n MET 32 Cb 0.59 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.73 3a4o n MET 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3a4o n GLY 33 N 0.79 0.00 3.01 -5.12 0.00 -0.22 -3.76 105.19 99.89 3a4o n GLY 33 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3a4o n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a4o s TYR 34 N 0.00 0.34 -0.37 1.61 2.02 0.07 -2.04 117.35 118.98 3a4o s TYR 34 Ca 0.00 -0.69 -0.06 0.00 -0.37 0.00 0.00 57.07 55.95 3a4o s TYR 34 Cb 0.00 -0.25 0.06 0.00 -0.40 0.00 0.00 41.96 41.37 3a4o s TYR 34 CO 0.00 -0.25 0.15 -0.47 -1.57 0.00 0.00 175.55 173.41 3a4o s TYR 35 N -2.21 3.33 -1.14 2.71 6.14 -0.95 -2.36 117.35 122.86 3a4o s TYR 35 Ca -0.09 -1.66 -0.07 0.00 0.64 0.00 0.00 57.07 55.89 3a4o s TYR 35 Cb -0.05 -2.58 0.06 0.00 0.42 0.00 0.00 41.96 39.81 3a4o s TYR 35 CO -0.04 -0.81 0.35 0.09 0.64 0.00 0.00 175.55 175.78 3a4o n ASN 36 N 4.78 -3.48 -0.53 4.32 5.03 0.20 -4.06 115.26 121.52 3a4o n ASN 36 Ca -0.10 -0.21 0.01 0.00 0.87 0.00 0.00 54.58 55.14 3a4o n ASN 36 Cb 0.43 -2.91 -0.00 0.00 -1.02 0.00 0.00 39.78 36.28 3a4o n ASN 36 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3a4o n ASN 37 N -2.12 -3.20 0.00 6.41 4.13 -1.26 -4.88 115.26 114.34 3a4o n ASN 37 Ca -0.04 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3a4o n ASN 37 Cb 0.55 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3a4o n ASN 37 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3a4o n SER 38 N -1.18 0.00 -3.64 6.41 3.41 -1.26 -4.87 113.62 112.49 3a4o n SER 38 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 3a4o n SER 38 Cb 0.02 -1.32 -0.17 0.00 -0.26 0.00 0.00 64.21 62.48 3a4o n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3a4o s THR 39 N -0.59 0.07 0.04 6.66 2.01 -1.26 -4.95 115.64 117.61 3a4o s THR 39 Ca 0.00 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.41 3a4o s THR 39 Cb 0.00 -0.70 -0.10 0.00 0.01 0.00 0.00 72.50 71.71 3a4o s THR 39 CO 0.00 -0.27 1.91 0.29 -0.69 0.00 0.00 174.62 175.86 3a4o n LYS 40 N 5.22 2.71 -3.85 4.92 4.01 -1.26 -2.25 118.16 127.65 3a4o n LYS 40 Ca -0.07 0.99 -0.12 0.00 -0.51 0.00 0.00 58.31 58.60 3a4o n LYS 40 Cb 0.48 -2.91 -0.11 0.00 -0.51 0.00 0.00 35.03 31.98 3a4o n LYS 40 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3a4o s VAL 41 N 3.86 0.04 -0.10 -0.18 0.11 -0.87 -4.57 120.40 118.69 3a4o s VAL 41 Ca 0.88 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 59.51 3a4o s VAL 41 Cb -0.50 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3a4o s VAL 41 CO 0.43 -0.20 0.10 0.00 -3.33 0.00 0.00 175.10 172.10 3a4o s ALA 42 N -0.67 3.72 -0.09 1.54 0.00 -1.24 -1.06 121.76 123.96 3a4o s ALA 42 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3a4o s ALA 42 Cb -0.05 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.26 3a4o s ALA 42 CO 0.01 0.62 -0.10 0.54 0.00 0.00 0.00 175.76 176.83 3a4o s VAL 43 N -1.01 1.05 -0.15 0.00 0.11 -0.23 -3.01 120.40 117.16 3a4o s VAL 43 Ca 0.15 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 3a4o s VAL 43 Cb -0.12 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3a4o s VAL 43 CO 0.05 0.35 0.96 -0.75 -3.33 0.00 0.00 175.10 172.37 3a4o s LYS 44 N 1.14 4.35 0.00 1.54 2.20 -1.13 -1.33 119.74 126.50 3a4o s LYS 44 Ca -0.06 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 3a4o s LYS 44 Cb -0.14 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3a4o s LYS 44 CO -0.02 -0.39 0.15 2.41 -0.36 0.00 0.00 175.35 177.15 3a4o n THR 45 N 4.78 0.00 -0.94 3.43 -1.04 0.23 -3.60 114.28 117.14 3a4o n THR 45 Ca 0.08 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 3a4o n THR 45 Cb 0.48 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 3a4o n THR 45 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3a4o n LEU 46 N -0.30 -1.25 -4.65 -4.42 -0.00 -1.19 -3.74 117.00 101.45 3a4o n LEU 46 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 3a4o n LEU 46 Cb 0.00 -0.63 -0.08 0.00 -0.00 0.00 0.00 43.42 42.72 3a4o n LEU 46 CO 0.00 0.00 0.14 -0.75 -0.00 0.00 0.00 177.39 176.78 3a4o s LYS 47 N -0.58 4.14 0.31 1.96 2.36 -1.23 -4.46 119.74 122.23 3a4o s LYS 47 Ca 0.00 0.23 -0.19 0.00 -2.55 0.00 0.00 55.97 53.47 3a4o s LYS 47 Cb 0.00 -3.58 -0.13 0.00 -1.05 0.00 0.00 37.83 33.07 3a4o s LYS 47 CO 0.00 -0.14 0.14 -2.30 1.55 0.00 0.00 175.35 174.60 3a4o n PRO 48 N 4.82 0.00 -0.95 4.03 -0.02 -1.26 -2.41 135.00 139.20 3a4o n PRO 48 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3a4o n PRO 48 Cb 0.51 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 3a4o n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4o n GLY 49 N 1.91 0.29 0.25 -1.23 0.00 -1.26 -4.81 105.19 100.33 3a4o n GLY 49 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3a4o n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3a4o n THR 50 N -2.38 1.37 0.00 2.61 5.66 -1.01 -5.01 114.28 115.51 3a4o n THR 50 Ca 0.00 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3a4o n THR 50 Cb 0.21 -2.00 0.00 0.00 -1.55 0.00 0.00 70.33 66.99 3a4o n THR 50 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3a4o n MET 51 N -4.17 0.00 0.00 1.09 2.81 -1.26 -4.94 117.12 110.65 3a4o n MET 51 Ca -0.32 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 3a4o n MET 51 Cb 0.67 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.18 3a4o n MET 51 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3a4o n SER 52 N 0.00 0.00 0.00 7.83 7.64 -1.26 -5.02 113.62 122.81 3a4o n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3a4o n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3a4o n SER 52 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3a4o n VAL 53 N 0.00 0.00 0.00 0.44 3.14 -1.26 -4.78 118.33 115.87 3a4o n VAL 53 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3a4o n VAL 53 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3a4o n VAL 53 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a4o n GLN 54 N 0.00 2.01 0.04 1.45 10.64 -1.26 -4.18 117.38 126.08 3a4o n GLN 54 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 3a4o n GLN 54 Cb 0.08 -0.89 -0.14 0.00 -0.86 0.00 0.00 30.24 28.43 3a4o n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3a4o h ALA 55 N 0.00 0.39 0.00 2.61 0.00 -1.95 0.41 119.26 120.72 3a4o h ALA 55 Ca 0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 54.91 53.57 3a4o h ALA 55 Cb 0.31 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3a4o h ALA 55 CO 0.00 1.25 -0.73 0.35 0.00 0.00 0.00 179.25 180.12 3a4o h PHE 56 N 0.05 0.00 -0.67 0.00 3.57 -1.90 -1.59 116.94 116.40 3a4o h PHE 56 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3a4o h PHE 56 Cb 2.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.74 3a4o h PHE 56 CO 0.05 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.14 3a4o n LEU 57 N -3.50 4.46 -0.12 0.59 4.77 -1.21 -3.82 117.00 118.17 3a4o n LEU 57 Ca -0.00 -2.25 -0.25 0.00 -0.03 0.00 0.00 56.01 53.49 3a4o n LEU 57 Cb 0.75 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3a4o n LEU 57 CO 0.43 0.85 -1.15 1.21 -1.33 0.00 0.00 177.39 177.40 3a4o n GLU 58 N 1.27 0.57 0.00 3.23 0.00 0.14 -4.25 120.64 121.61 3a4o n GLU 58 Ca 0.25 0.32 0.10 0.00 0.00 0.00 0.00 57.16 57.82 3a4o n GLU 58 Cb 0.80 -1.53 0.43 0.00 0.00 0.00 0.00 31.44 31.14 3a4o n GLU 58 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3a4o n GLU 59 N -4.32 0.02 0.07 5.31 0.00 -0.88 -1.98 120.64 118.85 3a4o n GLU 59 Ca -0.43 0.15 0.13 0.00 0.00 0.00 0.00 57.16 57.01 3a4o n GLU 59 Cb 0.78 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 31.17 3a4o n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3a4o n ALA 60 N -1.49 2.39 -0.04 4.31 0.00 -1.25 -3.21 120.51 121.23 3a4o n ALA 60 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 3a4o n ALA 60 Cb 0.23 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 3a4o n ALA 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a4o n ASN 61 N -1.99 0.40 0.18 0.00 4.13 -0.84 -3.01 115.26 114.13 3a4o n ASN 61 Ca 0.06 0.18 -0.11 0.00 1.68 0.00 0.00 54.58 56.39 3a4o n ASN 61 Cb 0.40 0.72 -0.06 0.00 -1.54 0.00 0.00 39.78 39.30 3a4o n ASN 61 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3a4o h LEU 62 N 0.00 -0.85 -0.73 3.41 3.38 -1.57 -1.17 115.31 117.78 3a4o h LEU 62 Ca -0.31 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3a4o h LEU 62 Cb 1.83 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.86 3a4o h LEU 62 CO 0.04 -0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.16 3a4o h MET 63 N -0.62 0.00 0.00 1.13 -0.00 -1.76 -0.51 114.93 113.16 3a4o h MET 63 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3a4o h MET 63 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 3a4o h MET 63 CO -0.03 0.00 0.00 1.17 -0.00 0.00 0.00 176.91 178.05 3a4o n LYS 64 N -2.37 0.31 0.00 -0.10 4.81 -0.49 -2.43 118.16 117.89 3a4o n LYS 64 Ca 0.02 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3a4o n LYS 64 Cb 0.26 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3a4o n LYS 64 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 3a4o n THR 65 N -1.10 0.00 0.00 3.15 5.66 -0.36 -4.98 114.28 116.65 3a4o n THR 65 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 3a4o n THR 65 Cb 0.06 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 3a4o n THR 65 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3a4o n LEU 66 N 0.00 0.09 -1.92 1.09 4.77 -0.34 -5.07 117.00 115.61 3a4o n LEU 66 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3a4o n LEU 66 Cb 0.39 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3a4o n LEU 66 CO 0.00 -0.47 -0.08 0.00 -1.33 0.00 0.00 177.39 175.51 3a4o n GLN 67 N -2.19 -0.86 -3.44 3.23 6.02 -1.24 -5.07 117.38 113.84 3a4o n GLN 67 Ca 0.00 0.62 -0.13 0.00 -0.01 0.00 0.00 57.00 57.48 3a4o n GLN 67 Cb 0.00 -1.16 -0.03 0.00 1.02 0.00 0.00 30.24 30.08 3a4o n GLN 67 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3a4o s HIS 68 N -0.09 -0.54 -1.51 1.08 2.46 -1.26 -5.04 115.29 110.38 3a4o s HIS 68 Ca 0.00 0.43 0.14 0.00 0.47 0.00 0.00 55.06 56.10 3a4o s HIS 68 Cb 0.00 0.54 0.73 0.00 -0.13 0.00 0.00 32.58 33.72 3a4o s HIS 68 CO 0.00 -0.80 1.36 -0.40 -2.47 0.00 0.00 174.74 172.43 3a4o n ASP 69 N -0.20 0.00 -0.33 9.88 5.75 -1.26 -2.49 116.55 127.90 3a4o n ASP 69 Ca -0.17 0.01 0.06 0.00 -0.01 0.00 0.00 54.79 54.68 3a4o n ASP 69 Cb 0.64 -0.24 0.13 0.00 -1.03 0.00 0.00 41.12 40.62 3a4o n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3a4o n LYS 70 N -1.24 2.36 -3.80 0.11 4.76 -1.26 -4.86 118.16 114.23 3a4o n LYS 70 Ca 0.07 -2.27 -0.26 0.00 -2.87 0.00 0.00 58.31 52.99 3a4o n LYS 70 Cb 0.10 -1.41 -0.17 0.00 -1.84 0.00 0.00 35.03 31.72 3a4o n LYS 70 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3a4o s LEU 71 N -2.07 1.03 -0.86 -0.35 1.02 -1.04 0.16 118.68 116.57 3a4o s LEU 71 Ca 0.24 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 53.66 3a4o s LEU 71 Cb 0.19 -0.63 -0.19 0.00 0.02 0.00 0.00 46.19 45.58 3a4o s LEU 71 CO 0.06 -0.21 2.59 0.52 0.02 0.00 0.00 176.35 179.33 3a4o n VAL 72 N 5.04 -0.01 -2.84 -1.59 0.31 -0.54 -4.49 118.33 114.21 3a4o n VAL 72 Ca -0.09 -0.12 -0.35 0.00 -0.01 0.00 0.00 64.34 63.76 3a4o n VAL 72 Cb 0.49 -0.87 -0.07 0.00 -0.91 0.00 0.00 33.84 32.48 3a4o n VAL 72 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3a4o s ARG 73 N 8.52 4.42 0.00 5.55 0.52 -1.26 -4.88 118.95 131.82 3a4o s ARG 73 Ca 1.28 1.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 3a4o s ARG 73 Cb -1.11 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3a4o s ARG 73 CO 0.47 0.19 0.00 -0.11 0.02 0.00 0.00 175.30 175.88 3a4o n LEU 74 N 0.17 0.00 0.00 2.53 7.94 -1.26 -2.53 117.00 123.86 3a4o n LEU 74 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3a4o n LEU 74 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3a4o n LEU 74 CO 0.42 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.48 3a4o n TYR 75 N 0.00 0.00 -3.77 1.96 0.53 -1.14 -3.32 117.16 111.42 3a4o n TYR 75 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 3a4o n TYR 75 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.29 3a4o n TYR 75 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a4o s ALA 76 N -0.29 -1.27 0.20 -0.72 0.00 -0.87 -4.97 121.76 113.84 3a4o s ALA 76 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.88 3a4o s ALA 76 Cb 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 3a4o s ALA 76 CO 0.00 -0.98 -0.16 0.14 0.00 0.00 0.00 175.76 174.76 3a4o s VAL 77 N -3.89 1.82 -0.32 0.00 -7.23 -0.58 -0.36 120.40 109.85 3a4o s VAL 77 Ca 0.09 -2.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.07 3a4o s VAL 77 Cb -0.05 -2.02 0.11 0.00 0.56 0.00 0.00 36.38 34.97 3a4o s VAL 77 CO 0.03 -0.52 0.13 -0.69 -0.31 0.00 0.00 175.10 173.73 3a4o s VAL 78 N -2.75 0.53 -0.35 1.32 1.01 -0.76 -2.90 120.40 116.50 3a4o s VAL 78 Ca 0.22 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.96 3a4o s VAL 78 Cb -0.02 -1.41 0.18 0.00 0.00 0.00 0.00 36.38 35.13 3a4o s VAL 78 CO 0.08 -0.74 0.54 0.28 0.00 0.00 0.00 175.10 175.26 3a4o s THR 79 N 1.64 -0.84 0.00 3.92 -1.32 -1.26 0.23 115.64 118.01 3a4o s THR 79 Ca 0.11 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 3a4o s THR 79 Cb -0.18 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3a4o s THR 79 CO -0.25 -0.14 0.41 0.54 -2.21 0.00 0.00 174.62 172.97 3a4o n ARG 80 N 4.85 0.00 0.00 7.08 5.12 -1.26 -5.05 116.66 127.40 3a4o n ARG 80 Ca 0.07 -0.36 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 3a4o n ARG 80 Cb 0.53 -0.29 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 3a4o n ARG 80 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3a4o n GLU 81 N 0.00 0.00 -1.31 5.56 0.00 -1.26 -5.14 120.64 118.49 3a4o n GLU 81 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.71 3a4o n GLU 81 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.94 3a4o n GLU 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3a4o n GLU 82 N 0.00 0.00 -1.32 5.31 1.02 -1.26 -4.57 120.64 119.81 3a4o n GLU 82 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3a4o n GLU 82 Cb 0.00 -0.95 0.16 0.00 -0.02 0.00 0.00 31.44 30.63 3a4o n GLU 82 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3a4o s PRO 83 N -0.95 0.64 -0.13 3.49 0.04 -1.26 -5.15 135.00 131.67 3a4o s PRO 83 Ca 0.60 0.38 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 3a4o s PRO 83 Cb -0.83 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 3a4o s PRO 83 CO 0.54 -2.56 -0.00 0.42 0.04 0.00 0.00 177.00 175.44 3a4o s ILE 84 N -3.11 4.26 0.21 0.56 1.01 -1.25 -4.73 121.20 118.16 3a4o s ILE 84 Ca 0.65 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 61.16 3a4o s ILE 84 Cb -0.17 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3a4o s ILE 84 CO 0.56 0.53 -0.14 -0.31 0.00 0.00 0.00 174.94 175.58 3a4o s TYR 85 N -0.13 2.50 -0.30 3.97 1.51 0.62 -4.42 117.35 121.10 3a4o s TYR 85 Ca 0.04 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3a4o s TYR 85 Cb -0.13 -1.19 0.11 0.00 -0.11 0.00 0.00 41.96 40.64 3a4o s TYR 85 CO 0.02 0.55 0.16 0.42 -1.11 0.00 0.00 175.55 175.59 3a4o s ILE 86 N -1.89 -0.09 -0.34 2.71 1.01 -1.24 -1.83 121.20 119.53 3a4o s ILE 86 Ca 0.25 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3a4o s ILE 86 Cb -0.08 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.41 3a4o s ILE 86 CO 0.14 -0.72 0.74 -0.63 0.00 0.00 0.00 174.94 174.47 3a4o s ILE 87 N 2.03 4.80 0.40 2.92 -1.09 0.52 -2.84 121.20 127.93 3a4o s ILE 87 Ca 0.10 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.44 3a4o s ILE 87 Cb -0.16 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 3a4o s ILE 87 CO -0.33 -0.34 0.17 0.42 -1.23 0.00 0.00 174.94 173.64 3a4o s THR 88 N 2.93 0.41 0.69 2.92 -4.23 -1.16 -2.06 115.64 115.14 3a4o s THR 88 Ca 0.29 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 3a4o s THR 88 Cb -0.14 -2.36 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 3a4o s THR 88 CO 0.15 0.00 0.49 1.21 -0.54 0.00 0.00 174.62 175.93 3a4o n GLU 89 N -0.85 0.34 -4.68 3.99 2.13 -1.05 -3.66 120.64 116.86 3a4o n GLU 89 Ca -0.03 0.15 -0.33 0.00 0.66 0.00 0.00 57.16 57.61 3a4o n GLU 89 Cb 0.64 -1.77 -0.12 0.00 0.27 0.00 0.00 31.44 30.46 3a4o n GLU 89 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3a4o s TYR 90 N -1.87 2.87 -0.55 4.31 5.04 -1.26 -4.54 117.35 121.35 3a4o s TYR 90 Ca 0.66 -0.18 0.06 0.00 -2.44 0.00 0.00 57.07 55.17 3a4o s TYR 90 Cb -0.37 -1.75 0.32 0.00 0.35 0.00 0.00 41.96 40.51 3a4o s TYR 90 CO 0.58 0.15 0.88 -1.33 -1.34 0.00 0.00 175.55 174.48 3a4o n MET 91 N 2.66 2.75 0.00 4.97 2.81 -1.26 -4.73 117.12 124.32 3a4o n MET 91 Ca -0.18 -4.58 0.00 0.00 -1.81 0.00 0.00 57.70 51.13 3a4o n MET 91 Cb 0.53 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 3a4o n MET 91 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a4o n ALA 92 N 0.04 0.00 -0.23 3.04 0.00 -1.26 0.86 120.51 122.96 3a4o n ALA 92 Ca 0.30 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.80 3a4o n ALA 92 Cb 0.43 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.21 3a4o n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3a4o h LYS 93 N 0.00 0.80 0.00 0.00 6.56 -1.78 -3.49 116.57 118.66 3a4o h LYS 93 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3a4o h LYS 93 Cb 0.00 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.48 3a4o h LYS 93 CO 0.00 0.53 0.00 0.41 -2.06 0.00 0.00 179.45 178.33 3a4o n GLY 94 N -1.43 -2.10 3.49 3.86 0.00 0.25 -4.66 105.19 104.59 3a4o n GLY 94 Ca 0.13 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 3a4o n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a4o n SER 95 N 0.46 -0.26 0.19 1.61 2.88 -1.26 -0.51 113.62 116.73 3a4o n SER 95 Ca 0.00 1.05 0.03 0.00 -1.33 0.00 0.00 58.87 58.62 3a4o n SER 95 Cb 0.00 -1.13 0.41 0.00 -0.75 0.00 0.00 64.21 62.74 3a4o n SER 95 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3a4o h LEU 96 N 1.24 0.04 0.46 2.46 5.85 0.39 -2.17 115.31 123.57 3a4o h LEU 96 Ca -0.37 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3a4o h LEU 96 Cb 1.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3a4o h LEU 96 CO 0.56 0.32 -0.22 0.25 -0.34 0.00 0.00 178.44 179.00 3a4o h LEU 97 N 0.04 -0.52 0.23 2.25 5.85 -1.62 -2.45 115.31 119.09 3a4o h LEU 97 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3a4o h LEU 97 Cb 0.50 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3a4o h LEU 97 CO 0.04 -0.37 -0.11 0.44 -0.34 0.00 0.00 178.44 178.09 3a4o h ASP 98 N -0.61 -0.26 -0.99 1.25 3.32 -1.84 -3.13 116.42 114.16 3a4o h ASP 98 Ca -0.06 -0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.02 3a4o h ASP 98 Cb 0.47 0.07 -0.15 0.00 0.22 0.00 0.00 39.33 39.94 3a4o h ASP 98 CO 0.10 -0.06 -0.45 0.33 -1.72 0.00 0.00 179.24 177.45 3a4o n PHE 99 N -5.16 -0.12 0.25 4.55 7.35 -0.83 0.12 117.46 123.63 3a4o n PHE 99 Ca -0.09 1.22 0.10 0.00 -0.76 0.00 0.00 57.45 57.92 3a4o n PHE 99 Cb 0.19 -0.78 0.49 0.00 0.35 0.00 0.00 39.48 39.74 3a4o n PHE 99 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3a4o n LEU 100 N -5.39 0.52 0.03 -2.13 7.99 -0.93 -1.68 117.00 115.41 3a4o n LEU 100 Ca 0.08 0.69 0.10 0.00 -0.01 0.00 0.00 56.01 56.87 3a4o n LEU 100 Cb 0.35 -0.69 -0.11 0.00 -0.11 0.00 0.00 43.42 42.85 3a4o n LEU 100 CO -0.14 -0.74 -0.51 0.29 -1.51 0.00 0.00 177.39 174.78 3a4o n LYS 101 N -2.15 0.64 0.00 3.23 5.02 0.32 -2.61 118.16 122.62 3a4o n LYS 101 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3a4o n LYS 101 Cb 0.11 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3a4o n LYS 101 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a4o n SER 102 N -2.43 -0.99 0.11 4.39 3.41 -0.02 -4.80 113.62 113.29 3a4o n SER 102 Ca -0.04 -0.38 -0.04 0.00 -0.26 0.00 0.00 58.87 58.14 3a4o n SER 102 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 3a4o n SER 102 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3a4o h ASP 103 N -0.99 -0.24 0.28 4.04 1.82 -1.92 -3.22 116.42 116.19 3a4o h ASP 103 Ca 0.00 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 3a4o h ASP 103 Cb 0.00 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 3a4o h ASP 103 CO 0.00 -0.12 -0.08 1.05 -1.61 0.00 0.00 179.24 178.48 3a4o h GLU 104 N -0.39 0.00 0.00 0.28 9.09 -1.95 -2.79 114.58 118.82 3a4o h GLU 104 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 3a4o h GLU 104 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3a4o h GLU 104 CO 0.05 0.08 0.00 0.41 0.05 0.00 0.00 179.01 179.59 3a4o n GLY 105 N -0.83 -2.94 0.12 1.06 0.00 -1.16 -0.18 105.19 101.26 3a4o n GLY 105 Ca -0.02 0.38 0.10 0.00 0.00 0.00 0.00 46.02 46.47 3a4o n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a4o n GLY 106 N -0.97 -0.95 0.24 -0.02 0.00 -1.07 -2.38 105.19 100.02 3a4o n GLY 106 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3a4o n GLY 106 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a4o h LYS 107 N 0.00 -0.42 -7.16 1.61 1.63 -0.28 -3.43 116.57 108.52 3a4o h LYS 107 Ca 0.00 0.03 -0.40 0.00 -0.85 0.00 0.00 60.65 59.43 3a4o h LYS 107 Cb 0.13 0.09 0.21 0.00 -0.60 0.00 0.00 32.23 32.06 3a4o h LYS 107 CO 0.00 -0.28 -0.02 0.14 -3.45 0.00 0.00 179.45 175.84 3a4o s VAL 108 N -6.10 1.43 0.24 2.00 -7.23 -0.71 -5.08 120.40 104.96 3a4o s VAL 108 Ca -0.15 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 3a4o s VAL 108 Cb 0.06 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3a4o s VAL 108 CO 0.65 0.00 0.19 -0.76 -0.31 0.00 0.00 175.10 174.87 3a4o s LEU 109 N -7.49 1.30 0.01 1.32 2.01 -1.26 -5.03 118.68 109.54 3a4o s LEU 109 Ca 0.69 -1.49 -0.02 0.00 0.01 0.00 0.00 54.13 53.32 3a4o s LEU 109 Cb -0.14 0.49 -0.00 0.00 0.01 0.00 0.00 46.19 46.55 3a4o s LEU 109 CO 0.58 -0.92 0.17 0.18 1.01 0.00 0.00 176.35 177.37 3a4o n LEU 110 N -0.38 -0.06 -0.17 1.79 7.99 -1.26 -1.09 117.00 123.82 3a4o n LEU 110 Ca 0.04 0.18 -0.02 0.00 -0.01 0.00 0.00 56.01 56.19 3a4o n LEU 110 Cb 0.65 -0.05 -0.01 0.00 -0.11 0.00 0.00 43.42 43.90 3a4o n LEU 110 CO 0.32 -0.12 0.23 -0.81 -1.51 0.00 0.00 177.39 175.50 3a4o n PRO 111 N -3.01 -0.14 0.03 3.23 -0.04 -1.26 0.20 135.00 134.01 3a4o n PRO 111 Ca 0.00 0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 63.96 3a4o n PRO 111 Cb 0.02 -0.95 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3a4o n PRO 111 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3a4o h LYS 112 N 0.00 0.58 0.47 0.54 1.63 -1.53 -2.26 116.57 116.00 3a4o h LYS 112 Ca 0.11 -0.51 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 3a4o h LYS 112 Cb 0.22 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3a4o h LYS 112 CO -0.41 1.13 -0.23 -0.07 -3.45 0.00 0.00 179.45 176.43 3a4o h LEU 113 N 0.38 -0.54 -1.63 5.20 3.38 0.26 -1.15 115.31 121.21 3a4o h LEU 113 Ca -0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3a4o h LEU 113 Cb 1.43 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 3a4o h LEU 113 CO 0.15 -0.36 0.40 0.16 0.09 0.00 0.00 178.44 178.88 3a4o h ILE 114 N -0.67 0.91 0.00 1.22 3.07 0.13 0.19 117.51 122.36 3a4o h ILE 114 Ca -0.07 -0.15 -0.02 0.00 1.55 0.00 0.00 64.86 66.18 3a4o h ILE 114 Cb 0.51 0.45 -0.00 0.00 -0.27 0.00 0.00 36.82 37.50 3a4o h ILE 114 CO 0.11 0.08 -0.11 -0.78 -1.05 0.00 0.00 178.15 176.40 3a4o h ASP 115 N 0.43 0.00 0.06 2.16 3.58 -0.69 -3.09 116.42 118.87 3a4o h ASP 115 Ca 0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 3a4o h ASP 115 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3a4o h ASP 115 CO -0.08 0.11 -0.03 -0.26 -2.88 0.00 0.00 179.24 176.10 3a4o h PHE 116 N 0.00 -0.07 -1.32 0.28 0.04 0.56 -3.12 116.94 113.30 3a4o h PHE 116 Ca -0.00 -0.00 0.39 0.00 2.80 0.00 0.00 57.97 61.15 3a4o h PHE 116 Cb 0.42 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 3a4o h PHE 116 CO 0.00 -0.05 0.92 0.66 -0.60 0.00 0.00 178.31 179.25 3a4o h SER 117 N -0.77 0.13 0.04 2.17 4.64 -1.60 0.49 113.55 118.65 3a4o h SER 117 Ca -0.01 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3a4o h SER 117 Cb 0.06 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3a4o h SER 117 CO 0.01 -0.01 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3a4o h ALA 118 N 1.41 -0.08 -0.58 5.18 0.00 -1.60 0.44 119.26 124.03 3a4o h ALA 118 Ca 0.68 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.49 3a4o h ALA 118 Cb 2.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 3a4o h ALA 118 CO -0.13 -0.55 0.00 1.96 0.00 0.00 0.00 179.25 180.53 3a4o h GLN 119 N -0.10 1.02 0.12 0.00 4.20 0.00 0.27 115.11 120.62 3a4o h GLN 119 Ca 0.01 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3a4o h GLN 119 Cb 0.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3a4o h GLN 119 CO -0.02 1.01 -0.06 0.82 -0.67 0.00 0.00 178.83 179.92 3a4o h ILE 120 N 0.91 0.93 -0.78 2.54 1.08 -1.02 -0.45 117.51 120.72 3a4o h ILE 120 Ca 0.16 -0.16 0.16 0.00 -0.39 0.00 0.00 64.86 64.64 3a4o h ILE 120 Cb 0.55 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 3a4o h ILE 120 CO 0.03 0.04 0.52 0.00 -0.69 0.00 0.00 178.15 178.05 3a4o h ALA 121 N 0.65 2.12 0.51 1.87 0.00 0.19 0.45 119.26 125.05 3a4o h ALA 121 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a4o h ALA 121 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a4o h ALA 121 CO 0.03 -0.34 -0.24 1.49 0.00 0.00 0.00 179.25 180.18 3a4o h GLU 122 N 0.42 -0.66 0.00 0.00 4.81 0.43 -0.25 114.58 119.34 3a4o h GLU 122 Ca 0.39 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3a4o h GLU 122 Cb 0.90 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3a4o h GLU 122 CO -0.13 -0.44 -0.09 0.78 -0.73 0.00 0.00 179.01 178.41 3a4o h GLY 123 N -1.17 0.00 1.07 1.92 0.00 -0.85 -0.50 103.07 103.54 3a4o h GLY 123 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 3a4o h GLY 123 CO 0.11 0.00 -0.42 1.98 0.00 0.00 0.00 176.54 178.22 3a4o h MET 124 N 0.00 0.82 0.00 4.80 4.05 -0.10 -2.37 114.93 122.13 3a4o h MET 124 Ca -0.00 -0.48 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3a4o h MET 124 Cb 0.20 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3a4o h MET 124 CO 0.01 1.11 -0.06 0.00 0.23 0.00 0.00 176.91 178.20 3a4o h ALA 125 N 0.70 1.69 0.28 0.39 0.00 0.57 -2.30 119.26 120.59 3a4o h ALA 125 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a4o h ALA 125 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a4o h ALA 125 CO 0.10 0.08 -0.13 -0.92 0.00 0.00 0.00 179.25 178.37 3a4o h TYR 126 N 0.00 -0.35 -0.90 0.00 3.20 -0.83 -2.91 116.97 115.18 3a4o h TYR 126 Ca -0.00 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.12 3a4o h TYR 126 Cb 0.13 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3a4o h TYR 126 CO 0.00 -0.22 0.65 0.82 -1.64 0.00 0.00 178.16 177.77 3a4o h ILE 127 N -0.38 0.55 -0.46 1.81 2.04 -1.32 0.69 117.51 120.43 3a4o h ILE 127 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3a4o h ILE 127 Cb 0.29 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3a4o h ILE 127 CO 0.06 0.00 0.15 -0.08 0.00 0.00 0.00 178.15 178.29 3a4o h GLU 128 N 0.00 0.68 0.07 2.37 4.81 -1.30 0.14 114.58 121.34 3a4o h GLU 128 Ca 0.43 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3a4o h GLU 128 Cb 1.71 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3a4o h GLU 128 CO -0.00 0.58 -0.03 0.00 -0.73 0.00 0.00 179.01 178.83 3a4o h ARG 129 N 0.67 -0.09 0.00 1.92 3.08 0.55 -3.02 114.38 117.48 3a4o h ARG 129 Ca 0.16 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3a4o h ARG 129 Cb 0.18 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3a4o h ARG 129 CO -0.01 0.46 0.01 1.63 -1.07 0.00 0.00 179.97 180.99 3a4o n LYS 130 N -4.80 0.00 -3.22 0.04 4.76 -0.67 -4.80 118.16 109.47 3a4o n LYS 130 Ca -0.07 0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 3a4o n LYS 130 Cb 0.29 -1.51 0.07 0.00 -1.84 0.00 0.00 35.03 32.04 3a4o n LYS 130 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3a4o n ASN 131 N -1.13 -6.62 -3.88 4.39 3.02 -0.37 -5.04 115.26 105.63 3a4o n ASN 131 Ca 0.00 -0.68 -0.25 0.00 -0.03 0.00 0.00 54.58 53.61 3a4o n ASN 131 Cb 0.01 -5.16 -0.08 0.00 -0.61 0.00 0.00 39.78 33.95 3a4o n ASN 131 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a4o s TYR 132 N -3.38 1.78 -0.03 3.10 1.51 0.35 -4.53 117.35 116.16 3a4o s TYR 132 Ca 0.44 -1.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.06 3a4o s TYR 132 Cb -0.06 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.74 3a4o s TYR 132 CO 0.73 -0.47 0.08 0.96 -1.11 0.00 0.00 175.55 175.74 3a4o s ILE 133 N -3.22 0.01 -0.13 2.71 -4.36 0.03 -4.53 121.20 111.71 3a4o s ILE 133 Ca 0.26 -0.08 -0.15 0.00 -0.26 0.00 0.00 60.65 60.42 3a4o s ILE 133 Cb 0.01 -0.15 -0.12 0.00 1.25 0.00 0.00 42.46 43.45 3a4o s ILE 133 CO 0.18 -0.04 0.30 -0.74 0.24 0.00 0.00 174.94 174.88 3a4o h HIS 134 N 5.86 0.00 0.00 1.37 -0.00 -1.90 -2.85 115.15 117.63 3a4o h HIS 134 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3a4o h HIS 134 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3a4o h HIS 134 CO 0.43 0.55 0.00 -2.13 -0.00 0.00 0.00 177.93 176.78 3a4o n ARG 135 N -4.66 0.00 -3.21 5.26 3.00 -1.26 -2.37 116.66 113.42 3a4o n ARG 135 Ca -0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.54 3a4o n ARG 135 Cb 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 32.46 32.60 3a4o n ARG 135 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3a4o n ASP 136 N 0.23 1.19 -4.34 6.15 3.85 -1.26 -4.67 116.55 117.70 3a4o n ASP 136 Ca 0.00 -2.96 -0.46 0.00 -0.71 0.00 0.00 54.79 50.66 3a4o n ASP 136 Cb 0.00 -0.63 -0.04 0.00 -1.35 0.00 0.00 41.12 39.10 3a4o n ASP 136 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3a4o s LEU 137 N -1.86 6.19 0.01 -2.12 0.20 -1.26 -4.77 118.68 115.08 3a4o s LEU 137 Ca 0.38 -2.06 -0.12 0.00 0.69 0.00 0.00 54.13 53.03 3a4o s LEU 137 Cb 0.22 -2.24 0.01 0.00 -0.43 0.00 0.00 46.19 43.76 3a4o s LEU 137 CO -0.09 -0.82 0.24 0.00 -0.29 0.00 0.00 176.35 175.40 3a4o s ARG 138 N 1.35 0.66 0.45 1.98 1.04 -1.26 -4.74 118.95 118.43 3a4o s ARG 138 Ca 0.11 -0.40 0.35 0.00 -1.04 0.00 0.00 55.73 54.75 3a4o s ARG 138 Cb -0.21 0.28 1.19 0.00 -2.04 0.00 0.00 34.95 34.18 3a4o s ARG 138 CO -0.01 -0.19 1.18 0.00 -0.04 0.00 0.00 175.30 176.24 3a4o n ALA 139 N 1.05 1.31 0.10 7.88 0.00 -1.26 0.10 120.51 129.69 3a4o n ALA 139 Ca -0.21 0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 3a4o n ALA 139 Cb 0.57 -0.78 0.13 0.00 0.00 0.00 0.00 19.45 19.37 3a4o n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a4o h ALA 140 N 0.68 0.87 -0.15 0.00 0.00 -1.95 -2.08 119.26 116.65 3a4o h ALA 140 Ca 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a4o h ALA 140 Cb 2.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.52 3a4o h ALA 140 CO -0.01 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.08 3a4o n ASN 141 N -3.85 1.13 -4.23 0.00 4.13 0.29 -4.69 115.26 108.04 3a4o n ASN 141 Ca -0.02 -1.74 -0.34 0.00 1.68 0.00 0.00 54.58 54.16 3a4o n ASN 141 Cb 0.62 -0.10 -0.15 0.00 -1.54 0.00 0.00 39.78 38.62 3a4o n ASN 141 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a4o s VAL 142 N -1.81 2.89 0.20 2.41 0.11 -1.13 -1.25 120.40 121.83 3a4o s VAL 142 Ca 0.26 -0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 3a4o s VAL 142 Cb 0.13 -2.33 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 3a4o s VAL 142 CO 0.20 0.41 0.44 -0.76 -3.33 0.00 0.00 175.10 172.05 3a4o s LEU 143 N 1.39 4.20 -0.14 2.54 1.43 -0.89 0.26 118.68 127.47 3a4o s LEU 143 Ca 0.04 0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 3a4o s LEU 143 Cb -0.14 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3a4o s LEU 143 CO -0.06 -0.04 0.02 -0.69 0.23 0.00 0.00 176.35 175.80 3a4o s VAL 144 N -1.82 4.40 0.48 -1.59 1.01 0.33 -2.57 120.40 120.63 3a4o s VAL 144 Ca 0.42 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 3a4o s VAL 144 Cb -0.11 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 3a4o s VAL 144 CO 0.27 0.53 1.11 -0.94 0.00 0.00 0.00 175.10 176.06 3a4o s SER 145 N -0.12 6.19 0.00 3.32 1.04 0.52 -2.89 113.70 121.76 3a4o s SER 145 Ca 0.05 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.63 3a4o s SER 145 Cb -0.12 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3a4o s SER 145 CO 0.02 -0.89 0.57 -0.62 0.98 0.00 0.00 173.24 173.29 3a4o n GLU 146 N -0.71 0.00 -0.07 4.02 1.02 -1.26 0.17 120.64 123.81 3a4o n GLU 146 Ca 0.08 0.16 0.06 0.00 -0.02 0.00 0.00 57.16 57.44 3a4o n GLU 146 Cb 0.50 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.34 3a4o n GLU 146 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3a4o n SER 147 N -1.07 2.03 -0.95 1.62 3.41 -1.26 -4.95 113.62 112.44 3a4o n SER 147 Ca 0.00 -2.58 -0.06 0.00 -0.26 0.00 0.00 58.87 55.97 3a4o n SER 147 Cb 0.16 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3a4o n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a4o n LEU 148 N -0.99 -1.75 -4.87 1.04 4.32 0.45 -5.05 117.00 110.15 3a4o n LEU 148 Ca 0.09 -0.07 -0.36 0.00 -0.02 0.00 0.00 56.01 55.65 3a4o n LEU 148 Cb 0.50 -1.18 -0.06 0.00 -1.62 0.00 0.00 43.42 41.06 3a4o n LEU 148 CO 0.01 0.04 -0.06 -0.32 -1.22 0.00 0.00 177.39 175.84 3a4o s MET 149 N -4.75 3.61 -0.25 3.23 1.75 -1.24 -4.80 119.30 116.85 3a4o s MET 149 Ca 0.07 0.02 -0.16 0.00 -1.25 0.00 0.00 55.69 54.37 3a4o s MET 149 Cb -0.03 -3.15 -0.03 0.00 2.84 0.00 0.00 34.83 34.45 3a4o s MET 149 CO 0.09 0.71 0.43 0.00 -0.65 0.00 0.00 175.02 175.59 3a4o s LYS 151 N 1.95 1.25 -0.26 0.00 1.02 -1.06 -4.67 119.74 117.97 3a4o s LYS 151 Ca 0.18 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.52 3a4o s LYS 151 Cb -0.15 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 3a4o s LYS 151 CO 0.09 0.13 0.93 0.42 -0.92 0.00 0.00 175.35 176.00 3a4o s ILE 152 N 0.25 4.72 0.47 2.17 1.09 0.41 -2.09 121.20 128.23 3a4o s ILE 152 Ca -0.05 1.70 0.07 0.00 -1.10 0.00 0.00 60.65 61.26 3a4o s ILE 152 Cb -0.10 -4.23 0.07 0.00 -1.06 0.00 0.00 42.46 37.13 3a4o s ILE 152 CO 0.01 -0.20 0.54 0.00 -0.10 0.00 0.00 174.94 175.19 3a4o n ALA 153 N 6.28 0.90 -1.45 9.38 0.00 -0.38 -1.46 120.51 133.78 3a4o n ALA 153 Ca 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3a4o n ALA 153 Cb 0.47 0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.50 3a4o n ALA 153 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a4o n ASP 154 N -2.23 -6.22 -2.40 0.00 -0.08 -1.26 -4.84 116.55 99.52 3a4o n ASP 154 Ca 0.08 1.33 -0.03 0.00 -1.51 0.00 0.00 54.79 54.66 3a4o n ASP 154 Cb 0.50 -4.17 0.08 0.00 2.34 0.00 0.00 41.12 39.87 3a4o n ASP 154 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3a4o n PHE 155 N -2.28 -1.47 0.03 -0.67 3.72 -1.26 -4.98 117.46 110.54 3a4o n PHE 155 Ca 0.00 -1.24 -0.19 0.00 -0.05 0.00 0.00 57.45 55.97 3a4o n PHE 155 Cb 0.31 1.29 -0.10 0.00 -0.94 0.00 0.00 39.48 40.04 3a4o n PHE 155 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a4o h GLY 156 N 0.96 0.73 1.20 1.37 0.00 -1.91 -3.26 103.07 102.15 3a4o h GLY 156 Ca -0.33 -1.25 0.00 0.00 0.00 0.00 0.00 47.33 45.75 3a4o h GLY 156 CO -0.13 1.11 -0.31 1.04 0.00 0.00 0.00 176.54 178.25 3a4o n LEU 157 N -3.94 0.40 -4.64 3.11 4.32 -1.26 -4.93 117.00 110.05 3a4o n LEU 157 Ca -0.11 0.12 -0.47 0.00 -0.02 0.00 0.00 56.01 55.52 3a4o n LEU 157 Cb 0.83 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 3a4o n LEU 157 CO 0.54 0.09 1.07 0.00 -1.22 0.00 0.00 177.39 177.87 3a4o n ALA 158 N -1.38 0.62 -2.69 -1.18 0.00 -1.00 -4.71 120.51 110.17 3a4o n ALA 158 Ca 0.07 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 3a4o n ALA 158 Cb 0.33 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 3a4o n ALA 158 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3a4o s ARG 159 N 0.53 1.43 0.21 0.00 1.81 -1.08 -4.97 118.95 116.88 3a4o s ARG 159 Ca 0.78 -1.49 0.16 0.00 -1.72 0.00 0.00 55.73 53.47 3a4o s ARG 159 Cb -0.75 0.37 0.01 0.00 -0.45 0.00 0.00 34.95 34.13 3a4o s ARG 159 CO 0.43 -0.54 1.23 0.28 -0.68 0.00 0.00 175.30 176.01 3a4o h VAL 160 N 2.40 0.67 0.00 3.52 2.07 -1.89 0.13 116.25 123.15 3a4o h VAL 160 Ca -0.31 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3a4o h VAL 160 Cb 1.25 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3a4o h VAL 160 CO 0.44 0.38 0.11 -1.84 0.02 0.00 0.00 177.57 176.67 3a4o n GLU 170 N -3.08 0.00 -0.19 1.57 0.28 -1.26 -4.40 120.64 113.56 3a4o n GLU 170 Ca -0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3a4o n GLU 170 Cb 0.75 -0.78 0.00 0.00 1.43 0.00 0.00 31.44 32.84 3a4o n GLU 170 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3a4o n GLY 171 N 1.96 -0.21 2.86 -1.84 0.00 -1.26 -5.09 105.19 101.62 3a4o n GLY 171 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 3a4o n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4o s ALA 172 N 0.00 -0.91 0.00 4.61 0.00 -1.26 -5.00 121.76 119.20 3a4o s ALA 172 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3a4o s ALA 172 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3a4o s ALA 172 CO 0.00 -1.48 0.00 1.17 0.00 0.00 0.00 175.76 175.45 3a4o n LYS 173 N 5.35 0.00 0.00 0.00 4.81 -1.26 -4.93 118.16 122.12 3a4o n LYS 173 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3a4o n LYS 173 Cb 0.49 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.44 3a4o n LYS 173 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3a4o n PHE 174 N -1.14 0.00 -1.27 5.64 3.72 -1.26 -3.96 117.46 119.19 3a4o n PHE 174 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3a4o n PHE 174 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3a4o n PHE 174 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3a4o n PRO 175 N 0.00 0.05 0.09 -1.08 -0.04 -1.26 -4.71 135.00 128.05 3a4o n PRO 175 Ca 0.00 -0.72 -0.08 0.00 -0.04 0.00 0.00 63.50 62.67 3a4o n PRO 175 Cb 0.00 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.14 3a4o n PRO 175 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3a4o h ILE 176 N 6.90 0.00 0.00 0.52 1.08 -1.94 0.12 117.51 124.19 3a4o h ILE 176 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3a4o h ILE 176 Cb 1.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3a4o h ILE 176 CO 1.02 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 178.77 3a4o n LYS 177 N -3.74 0.35 0.00 2.37 5.02 -1.26 -1.63 118.16 119.27 3a4o n LYS 177 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3a4o n LYS 177 Cb 0.19 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3a4o n LYS 177 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3a4o n TRP 178 N 1.77 0.00 -1.90 2.13 8.01 -1.03 -4.82 117.44 121.59 3a4o n TRP 178 Ca 0.00 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.85 3a4o n TRP 178 Cb 0.18 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.51 3a4o n TRP 178 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3a4o s THR 179 N -1.00 2.97 0.25 -0.99 2.01 0.40 -3.92 115.64 115.36 3a4o s THR 179 Ca 0.00 0.52 -0.13 0.00 0.31 0.00 0.00 61.69 62.40 3a4o s THR 179 Cb 0.00 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 3a4o s THR 179 CO 0.00 -0.21 0.63 0.00 -0.69 0.00 0.00 174.62 174.35 3a4o s ALA 180 N -1.99 3.47 0.36 7.40 0.00 -1.26 -4.93 121.76 124.81 3a4o s ALA 180 Ca 0.72 -0.11 0.18 0.00 0.00 0.00 0.00 51.96 52.74 3a4o s ALA 180 Cb -0.25 -2.59 1.15 0.00 0.00 0.00 0.00 23.12 21.44 3a4o s ALA 180 CO 0.36 0.43 1.67 -1.35 0.00 0.00 0.00 175.76 176.86 3a4o h PRO 181 N 2.61 0.28 0.39 0.00 0.11 -1.95 -0.97 132.00 132.46 3a4o h PRO 181 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3a4o h PRO 181 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a4o h PRO 181 CO 0.67 0.18 -0.19 0.93 -0.21 0.00 0.00 178.00 179.39 3a4o h GLU 182 N 0.28 -0.51 0.00 1.05 3.07 -1.90 1.06 114.58 117.64 3a4o h GLU 182 Ca 0.74 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.63 3a4o h GLU 182 Cb 1.82 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.84 3a4o h GLU 182 CO -0.55 -0.24 -0.02 0.00 -1.40 0.00 0.00 179.01 176.80 3a4o h ALA 183 N -0.19 1.04 0.09 3.43 0.00 -1.36 0.99 119.26 123.27 3a4o h ALA 183 Ca -0.05 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 3a4o h ALA 183 Cb 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3a4o h ALA 183 CO 0.09 0.03 -2.01 -0.89 0.00 0.00 0.00 179.25 176.46 3a4o n ILE 184 N -3.18 1.71 0.04 0.00 5.41 -0.45 -2.46 119.36 120.43 3a4o n ILE 184 Ca -0.01 -0.57 -0.10 0.00 1.00 0.00 0.00 62.75 63.06 3a4o n ILE 184 Cb 0.21 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 3a4o n ILE 184 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3a4o h ASN 185 N -0.08 -0.17 -0.11 4.38 2.35 0.15 -3.39 115.58 118.71 3a4o h ASN 185 Ca -0.45 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3a4o h ASN 185 Cb 1.93 0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.34 3a4o h ASN 185 CO 0.01 0.41 0.00 0.49 -1.65 0.00 0.00 177.43 176.69 3a4o n PHE 186 N -4.90 0.14 -2.19 1.19 3.72 0.34 -5.00 117.46 110.76 3a4o n PHE 186 Ca -0.07 -0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.00 3a4o n PHE 186 Cb 0.26 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3a4o n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a4o n GLY 187 N 0.27 0.05 3.20 1.37 0.00 -0.64 -4.92 105.19 104.52 3a4o n GLY 187 Ca 0.06 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 3a4o n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4o s PHE 189 N -1.05 3.56 0.32 0.00 0.40 -1.26 -3.44 117.98 116.51 3a4o s PHE 189 Ca 0.34 1.42 -0.10 0.00 -0.60 0.00 0.00 56.93 57.99 3a4o s PHE 189 Cb -0.02 -2.98 0.01 0.00 0.51 0.00 0.00 43.02 40.55 3a4o s PHE 189 CO 0.00 -0.04 0.55 0.95 0.70 0.00 0.00 175.22 177.39 3a4o s THR 190 N 1.25 0.00 0.45 0.64 -4.23 -1.26 -4.94 115.64 107.55 3a4o s THR 190 Ca 0.43 -1.38 0.24 0.00 -1.18 0.00 0.00 61.69 59.80 3a4o s THR 190 Cb -0.19 -2.52 0.44 0.00 1.34 0.00 0.00 72.50 71.57 3a4o s THR 190 CO 0.20 0.00 1.81 0.40 -0.54 0.00 0.00 174.62 176.49 3a4o h ILE 191 N 2.13 0.52 0.00 2.99 2.04 -1.96 2.00 117.51 125.23 3a4o h ILE 191 Ca -0.28 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3a4o h ILE 191 Cb 1.25 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3a4o h ILE 191 CO 0.37 0.05 -0.09 0.11 0.00 0.00 0.00 178.15 178.59 3a4o h LYS 192 N 0.26 0.00 -0.15 2.37 1.79 -1.94 -1.39 116.57 117.50 3a4o h LYS 192 Ca 0.55 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.98 3a4o h LYS 192 Cb 1.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.30 3a4o h LYS 192 CO -0.18 0.09 -0.05 0.77 -1.08 0.00 0.00 179.45 179.00 3a4o h SER 193 N 0.00 0.31 0.44 0.86 0.02 0.29 -2.45 113.55 113.01 3a4o h SER 193 Ca -0.00 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.51 3a4o h SER 193 Cb 0.33 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3a4o h SER 193 CO 0.01 0.61 -0.31 0.44 -1.14 0.00 0.00 176.83 176.45 3a4o h ASP 194 N -0.01 0.00 0.16 3.07 3.32 -1.18 -2.07 116.42 119.71 3a4o h ASP 194 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3a4o h ASP 194 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3a4o h ASP 194 CO 0.02 0.31 -0.08 0.58 -1.72 0.00 0.00 179.24 178.35 3a4o h VAL 195 N 0.00 0.92 -0.78 -1.35 2.07 -1.06 -1.34 116.25 114.72 3a4o h VAL 195 Ca -0.00 -0.35 0.18 0.00 0.82 0.00 0.00 66.70 67.35 3a4o h VAL 195 Cb 0.61 1.14 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 3a4o h VAL 195 CO 0.04 0.08 0.18 -0.25 0.02 0.00 0.00 177.57 177.64 3a4o h TRP 196 N -0.38 0.27 0.00 1.57 2.91 -1.07 0.28 115.95 119.53 3a4o h TRP 196 Ca -0.02 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3a4o h TRP 196 Cb 0.30 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.95 3a4o h TRP 196 CO -0.02 -0.13 -0.06 0.77 -1.03 0.00 0.00 178.44 177.98 3a4o h SER 197 N 0.25 0.00 0.43 2.65 0.02 -0.68 -2.40 113.55 113.82 3a4o h SER 197 Ca 0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 3a4o h SER 197 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3a4o h SER 197 CO -0.56 0.06 -0.43 0.15 -1.14 0.00 0.00 176.83 174.91 3a4o h PHE 198 N 0.00 0.00 -0.07 3.45 3.57 0.66 -0.19 116.94 124.37 3a4o h PHE 198 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3a4o h PHE 198 Cb 0.12 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3a4o h PHE 198 CO 0.00 0.43 -0.09 0.78 -2.23 0.00 0.00 178.31 177.20 3a4o h GLY 199 N 1.29 0.19 1.52 2.40 0.00 -1.38 0.15 103.07 107.24 3a4o h GLY 199 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3a4o h GLY 199 CO 0.06 0.19 0.31 -2.22 0.00 0.00 0.00 176.54 174.88 3a4o h ILE 200 N -0.28 1.11 -0.24 2.60 1.08 -1.49 0.34 117.51 120.62 3a4o h ILE 200 Ca 0.01 -0.21 -0.15 0.00 -0.39 0.00 0.00 64.86 64.11 3a4o h ILE 200 Cb 0.63 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3a4o h ILE 200 CO 0.02 0.11 -0.43 0.25 -0.69 0.00 0.00 178.15 177.42 3a4o h LEU 201 N 0.63 0.79 -0.13 1.44 6.46 -0.87 -2.23 115.31 121.40 3a4o h LEU 201 Ca 0.18 -0.53 0.03 0.00 -0.12 0.00 0.00 57.88 57.43 3a4o h LEU 201 Cb -0.05 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.63 3a4o h LEU 201 CO -0.04 1.18 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.86 3a4o h LEU 202 N 0.44 -0.11 -1.79 2.25 3.38 0.35 0.27 115.31 120.10 3a4o h LEU 202 Ca 0.01 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3a4o h LEU 202 Cb 1.03 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3a4o h LEU 202 CO 0.10 -0.04 0.34 0.22 0.09 0.00 0.00 178.44 179.15 3a4o h TYR 203 N 0.01 0.26 0.00 1.13 3.20 -0.95 -1.45 116.97 119.17 3a4o h TYR 203 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3a4o h TYR 203 Cb 0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3a4o h TYR 203 CO -0.17 0.12 0.00 0.93 -1.64 0.00 0.00 178.16 177.41 3a4o h GLU 204 N 0.24 0.00 0.00 1.82 5.08 -0.30 -3.16 114.58 118.27 3a4o h GLU 204 Ca 0.23 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.29 3a4o h GLU 204 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3a4o h GLU 204 CO -0.05 0.00 -2.14 0.44 -1.00 0.00 0.00 179.01 176.27 3a4o n ILE 205 N -2.79 1.14 0.25 3.13 -5.35 -0.56 -0.28 119.36 114.91 3a4o n ILE 205 Ca -0.00 -0.49 0.09 0.00 -0.27 0.00 0.00 62.75 62.07 3a4o n ILE 205 Cb 0.18 -1.07 0.64 0.00 -1.74 0.00 0.00 39.64 37.65 3a4o n ILE 205 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 3a4o h VAL 206 N 0.00 0.87 0.00 7.28 -1.51 -1.59 0.14 116.25 121.43 3a4o h VAL 206 Ca -0.45 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3a4o h VAL 206 Cb 1.76 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 3a4o h VAL 206 CO -0.05 0.12 -0.59 0.35 -1.23 0.00 0.00 177.57 176.17 3a4o n THR 207 N -4.08 0.07 -2.51 7.19 -2.24 -1.19 -4.93 114.28 106.58 3a4o n THR 207 Ca -0.02 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 3a4o n THR 207 Cb 0.20 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 68.68 3a4o n THR 207 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3a4o n TYR 208 N -1.63 -0.71 -0.45 4.78 4.02 0.47 -4.40 117.16 119.23 3a4o n TYR 208 Ca 0.05 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 3a4o n TYR 208 Cb 0.36 -2.82 0.00 0.00 -0.02 0.00 0.00 39.34 36.86 3a4o n TYR 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a4o n GLY 209 N -1.03 1.11 3.85 2.72 0.00 0.62 -4.50 105.19 107.96 3a4o n GLY 209 Ca -0.07 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3a4o n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4o s LYS 210 N -1.21 3.97 -0.01 1.61 1.02 -1.26 -5.03 119.74 118.84 3a4o s LYS 210 Ca 0.00 0.67 -0.30 0.00 0.02 0.00 0.00 55.97 56.36 3a4o s LYS 210 Cb 0.00 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3a4o s LYS 210 CO 0.00 0.08 1.10 -1.50 -0.92 0.00 0.00 175.35 174.12 3a4o s ILE 211 N -2.11 4.45 0.12 2.17 1.10 -1.26 -4.72 121.20 120.95 3a4o s ILE 211 Ca 0.54 1.76 -0.35 0.00 -0.51 0.00 0.00 60.65 62.09 3a4o s ILE 211 Cb -0.10 -4.13 -0.16 0.00 0.15 0.00 0.00 42.46 38.22 3a4o s ILE 211 CO 0.21 0.08 1.31 -2.65 -2.11 0.00 0.00 174.94 171.78 3a4o n PRO 212 N 4.39 1.24 -3.19 3.50 -0.02 -1.26 -2.86 135.00 136.80 3a4o n PRO 212 Ca 0.08 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3a4o n PRO 212 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3a4o n PRO 212 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a4o n TYR 213 N 2.30 -2.89 -1.02 6.00 4.01 -1.26 -4.95 117.16 119.35 3a4o n TYR 213 Ca 0.17 1.13 -0.30 0.00 -0.16 0.00 0.00 57.90 58.75 3a4o n TYR 213 Cb 0.22 -3.72 0.15 0.00 -0.31 0.00 0.00 39.34 35.68 3a4o n TYR 213 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3a4o s PRO 214 N -3.26 1.01 0.00 -0.72 0.04 -1.14 -3.23 135.00 127.70 3a4o s PRO 214 Ca 0.07 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3a4o s PRO 214 Cb -0.02 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3a4o s PRO 214 CO 0.79 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.78 3a4o n GLY 215 N -0.62 1.79 3.94 0.56 0.00 -1.26 -4.94 105.19 104.66 3a4o n GLY 215 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3a4o n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a4o s ARG 216 N 0.00 1.87 -0.06 1.61 0.52 -1.20 -5.09 118.95 116.60 3a4o s ARG 216 Ca 0.00 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 3a4o s ARG 216 Cb 0.00 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 3a4o s ARG 216 CO 0.00 -1.46 -0.24 0.95 0.02 0.00 0.00 175.30 174.57 3a4o s THR 217 N -3.33 1.99 -0.53 0.02 -4.23 -1.26 -4.97 115.64 103.33 3a4o s THR 217 Ca 0.63 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3a4o s THR 217 Cb -0.09 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3a4o s THR 217 CO 0.46 0.55 0.54 -0.46 -0.54 0.00 0.00 174.62 175.17 3a4o n ASN 218 N 3.06 0.00 0.06 3.99 6.94 -1.26 0.19 115.26 128.24 3a4o n ASN 218 Ca -0.18 0.13 -0.23 0.00 -0.02 0.00 0.00 54.58 54.29 3a4o n ASN 218 Cb 0.52 -0.13 -0.15 0.00 -2.36 0.00 0.00 39.78 37.66 3a4o n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a4o h ALA 219 N 0.80 0.20 -0.28 -2.53 0.00 -2.03 -3.29 119.26 112.13 3a4o h ALA 219 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3a4o h ALA 219 Cb 0.41 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3a4o h ALA 219 CO 0.00 1.07 0.00 -3.47 0.00 0.00 0.00 179.25 176.85 3a4o n ASP 220 N -3.58 2.33 -0.04 0.00 2.03 0.52 -3.64 116.55 114.18 3a4o n ASP 220 Ca -0.26 -2.19 -0.19 0.00 0.52 0.00 0.00 54.79 52.67 3a4o n ASP 220 Cb 1.07 -0.39 -0.13 0.00 -0.72 0.00 0.00 41.12 40.95 3a4o n ASP 220 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3a4o n VAL 221 N 0.35 1.67 -0.26 5.18 3.14 -0.93 -3.86 118.33 123.63 3a4o n VAL 221 Ca 0.11 -0.65 -0.01 0.00 -2.96 0.00 0.00 64.34 60.83 3a4o n VAL 221 Cb 0.45 -1.55 0.05 0.00 -1.06 0.00 0.00 33.84 31.74 3a4o n VAL 221 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3a4o h MET 222 N 0.04 -0.06 0.00 1.45 2.86 -1.71 -3.10 114.93 114.41 3a4o h MET 222 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3a4o h MET 222 Cb 2.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.68 3a4o h MET 222 CO 0.03 -0.04 0.00 2.41 1.06 0.00 0.00 176.91 180.37 3a4o n THR 223 N -5.48 0.00 0.00 2.22 -1.04 -1.26 -3.52 114.28 105.20 3a4o n THR 223 Ca 0.08 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 3a4o n THR 223 Cb 0.38 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 3a4o n THR 223 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a4o n ALA 224 N -3.00 0.00 -0.04 2.41 0.00 -1.18 0.20 120.51 118.90 3a4o n ALA 224 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3a4o n ALA 224 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3a4o n ALA 224 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a4o h LEU 225 N 0.00 -0.74 -0.61 0.00 3.38 -1.59 0.16 115.31 115.91 3a4o h LEU 225 Ca 0.00 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.32 3a4o h LEU 225 Cb 0.00 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 3a4o h LEU 225 CO 0.00 -0.17 0.32 -1.54 0.09 0.00 0.00 178.44 177.14 3a4o n SER 226 N -3.76 0.21 -1.64 -0.43 3.41 0.54 0.40 113.62 112.35 3a4o n SER 226 Ca -0.02 1.02 -0.08 0.00 -0.26 0.00 0.00 58.87 59.53 3a4o n SER 226 Cb 0.14 -0.49 0.17 0.00 -0.26 0.00 0.00 64.21 63.77 3a4o n SER 226 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3a4o n GLN 227 N -4.39 2.48 -3.80 4.33 -0.06 0.49 -4.91 117.38 111.52 3a4o n GLN 227 Ca 0.23 -1.97 -0.27 0.00 -2.00 0.00 0.00 57.00 52.99 3a4o n GLN 227 Cb 0.78 -1.85 0.04 0.00 -4.06 0.00 0.00 30.24 25.15 3a4o n GLN 227 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3a4o n GLY 228 N -0.18 -0.46 3.75 1.69 0.00 1.33 -4.96 105.19 106.37 3a4o n GLY 228 Ca 0.30 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 3a4o n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a4o s TYR 229 N -3.38 3.68 0.02 1.61 5.04 -0.84 -4.99 117.35 118.49 3a4o s TYR 229 Ca 0.49 1.27 -0.01 0.00 -2.44 0.00 0.00 57.07 56.38 3a4o s TYR 229 Cb -0.24 -2.68 -0.02 0.00 0.35 0.00 0.00 41.96 39.37 3a4o s TYR 229 CO 0.81 0.30 -0.01 1.03 -1.34 0.00 0.00 175.55 176.33 3a4o s ARG 230 N -0.03 0.34 0.36 4.97 1.81 -1.26 -4.55 118.95 120.59 3a4o s ARG 230 Ca 0.33 -0.63 -0.26 0.00 -1.72 0.00 0.00 55.73 53.46 3a4o s ARG 230 Cb -0.19 0.12 -0.09 0.00 -0.45 0.00 0.00 34.95 34.35 3a4o s ARG 230 CO 0.19 -0.06 1.08 -1.64 -0.68 0.00 0.00 175.30 174.18 3a4o s MET 231 N -1.61 4.31 0.84 3.54 -1.94 -1.26 -5.02 119.30 118.17 3a4o s MET 231 Ca -0.14 1.64 -0.11 0.00 -1.71 0.00 0.00 55.69 55.37 3a4o s MET 231 Cb -0.09 -2.77 0.10 0.00 2.01 0.00 0.00 34.83 34.08 3a4o s MET 231 CO -0.01 -0.04 1.10 -1.25 -0.01 0.00 0.00 175.02 174.80 3a4o s PRO 232 N -2.12 1.68 0.88 2.03 0.04 -1.26 -4.95 135.00 131.30 3a4o s PRO 232 Ca 0.53 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 3a4o s PRO 232 Cb -0.26 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.46 3a4o s PRO 232 CO 0.33 -2.03 0.47 -2.13 0.04 0.00 0.00 177.00 173.68 3a4o n ARG 233 N -3.77 -0.10 -2.83 4.56 0.63 -1.26 -4.89 116.66 109.00 3a4o n ARG 233 Ca 0.09 0.02 -0.36 0.00 -0.92 0.00 0.00 57.85 56.67 3a4o n ARG 233 Cb 0.54 -1.87 -0.06 0.00 0.45 0.00 0.00 32.46 31.51 3a4o n ARG 233 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3a4o s VAL 234 N -2.24 4.28 -0.74 5.15 0.11 -1.26 -4.90 120.40 120.79 3a4o s VAL 234 Ca 0.60 1.72 -0.28 0.00 -2.93 0.00 0.00 61.98 61.08 3a4o s VAL 234 Cb -0.25 -3.94 -0.28 0.00 -1.53 0.00 0.00 36.38 30.38 3a4o s VAL 234 CO 0.64 0.09 1.94 1.21 -3.33 0.00 0.00 175.10 175.66 3a4o n GLU 235 N 0.44 0.17 0.00 1.54 4.07 -1.26 -3.48 120.64 122.11 3a4o n GLU 235 Ca 0.02 -1.53 0.00 0.00 -0.06 0.00 0.00 57.16 55.59 3a4o n GLU 235 Cb 0.51 -3.46 0.00 0.00 -0.06 0.00 0.00 31.44 28.42 3a4o n GLU 235 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3a4o n ASN 236 N 16.05 0.00 -0.67 4.31 6.94 -1.26 -5.11 115.26 135.52 3a4o n ASN 236 Ca 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.90 3a4o n ASN 236 Cb 0.45 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.86 3a4o n ASN 236 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a4o n PRO 238 N 0.38 2.48 -0.32 0.00 -0.04 -1.26 -4.72 135.00 131.53 3a4o n PRO 238 Ca 0.04 0.87 0.22 0.00 -0.04 0.00 0.00 63.50 64.59 3a4o n PRO 238 Cb 0.00 -2.62 0.41 0.00 -0.04 0.00 0.00 33.50 31.26 3a4o n PRO 238 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3a4o n ASP 239 N 0.30 0.10 0.00 3.54 9.92 -1.26 -1.95 116.55 127.19 3a4o n ASP 239 Ca 0.03 1.60 0.00 0.00 -0.53 0.00 0.00 54.79 55.89 3a4o n ASP 239 Cb 0.39 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 3a4o n ASP 239 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3a4o n GLU 240 N -5.29 0.00 -0.30 -1.24 2.13 -1.26 0.28 120.64 114.96 3a4o n GLU 240 Ca 0.29 0.13 0.06 0.00 0.66 0.00 0.00 57.16 58.30 3a4o n GLU 240 Cb 0.97 -0.31 0.27 0.00 0.27 0.00 0.00 31.44 32.64 3a4o n GLU 240 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3a4o h LEU 241 N 0.00 0.86 -0.88 4.31 4.07 -1.71 0.95 115.31 122.91 3a4o h LEU 241 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3a4o h LEU 241 Cb 0.00 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 3a4o h LEU 241 CO 0.00 0.52 0.55 0.22 -1.08 0.00 0.00 178.44 178.65 3a4o h TYR 242 N 0.96 1.13 0.08 1.13 3.20 0.12 0.48 116.97 124.06 3a4o h TYR 242 Ca 0.41 0.01 -0.26 0.00 3.14 0.00 0.00 58.73 62.03 3a4o h TYR 242 Cb 0.33 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3a4o h TYR 242 CO -0.00 0.74 -1.24 0.22 -1.64 0.00 0.00 178.16 176.24 3a4o h ASP 243 N 1.20 0.25 -0.13 -2.11 1.82 0.51 -0.47 116.42 117.49 3a4o h ASP 243 Ca 0.32 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.61 3a4o h ASP 243 Cb -0.09 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 3a4o h ASP 243 CO -0.06 1.23 0.07 0.00 -1.61 0.00 0.00 179.24 178.87 3a4o n ILE 244 N -3.43 1.11 0.00 2.25 0.00 0.32 -1.60 119.36 118.01 3a4o n ILE 244 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 62.75 62.41 3a4o n ILE 244 Cb 1.00 -0.82 0.00 0.00 0.00 0.00 0.00 39.64 39.82 3a4o n ILE 244 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 3a4o n MET 245 N 0.22 0.50 0.20 9.51 1.56 0.16 -4.67 117.12 124.60 3a4o n MET 245 Ca 0.08 0.00 0.14 0.00 -0.27 0.00 0.00 57.70 57.65 3a4o n MET 245 Cb 0.61 -0.74 0.53 0.00 2.15 0.00 0.00 33.22 35.77 3a4o n MET 245 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 3a4o h LYS 246 N 0.00 0.00 0.58 2.12 1.57 -0.09 -2.88 116.57 117.87 3a4o h LYS 246 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3a4o h LYS 246 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3a4o h LYS 246 CO 0.00 0.00 -0.32 0.52 -0.57 0.00 0.00 179.45 179.08 3a4o h MET 247 N 0.00 -0.81 -0.05 3.15 2.86 -1.70 -2.85 114.93 115.53 3a4o h MET 247 Ca 0.00 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3a4o h MET 247 Cb 0.55 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 3a4o h MET 247 CO 0.00 -0.54 0.04 0.00 1.06 0.00 0.00 176.91 177.47 3a4o n TRP 249 N -4.26 0.85 -1.75 0.00 8.01 -1.08 -3.66 117.44 115.55 3a4o n TRP 249 Ca -0.02 -0.35 -0.28 0.00 -1.31 0.00 0.00 57.50 55.55 3a4o n TRP 249 Cb 0.14 -0.15 -0.05 0.00 -2.01 0.00 0.00 31.31 29.25 3a4o n TRP 249 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3a4o s LYS 250 N -1.68 2.13 0.11 -0.99 -0.14 -1.06 -4.79 119.74 113.32 3a4o s LYS 250 Ca 0.30 0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 55.55 3a4o s LYS 250 Cb 0.19 -4.70 0.20 0.00 -1.68 0.00 0.00 37.83 31.84 3a4o s LYS 250 CO 0.15 -3.56 0.57 0.39 -0.76 0.00 0.00 175.35 172.15 3a4o n GLU 251 N 8.96 -0.03 -1.83 1.68 -0.58 -1.26 -3.10 120.64 124.48 3a4o n GLU 251 Ca 0.37 0.56 -0.28 0.00 -0.42 0.00 0.00 57.16 57.40 3a4o n GLU 251 Cb 0.49 -0.86 -0.05 0.00 -0.57 0.00 0.00 31.44 30.46 3a4o n GLU 251 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3a4o s LYS 252 N -5.36 2.23 0.19 3.49 -0.14 -1.26 -4.78 119.74 114.11 3a4o s LYS 252 Ca -0.05 0.45 0.11 0.00 -1.36 0.00 0.00 55.97 55.11 3a4o s LYS 252 Cb 0.10 -4.74 0.69 0.00 -1.68 0.00 0.00 37.83 32.20 3a4o s LYS 252 CO 0.29 -3.50 0.81 0.00 -0.76 0.00 0.00 175.35 172.19 3a4o n ALA 253 N 15.32 0.52 0.12 5.17 0.00 -1.18 -0.46 120.51 140.00 3a4o n ALA 253 Ca 0.37 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 54.29 3a4o n ALA 253 Cb 0.49 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 3a4o n ALA 253 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3a4o h GLU 254 N 0.00 -0.29 -0.45 0.00 5.08 -1.86 -2.87 114.58 114.20 3a4o h GLU 254 Ca 0.43 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.94 3a4o h GLU 254 Cb 1.14 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3a4o h GLU 254 CO -0.40 -0.19 0.65 0.39 -1.00 0.00 0.00 179.01 178.46 3a4o n GLU 255 N -2.82 0.01 -2.31 2.33 -0.58 0.39 -4.37 120.64 113.30 3a4o n GLU 255 Ca -0.04 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 56.84 3a4o n GLU 255 Cb 0.12 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 3a4o n GLU 255 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3a4o s ARG 256 N -3.21 4.42 1.38 3.49 0.52 -1.09 -4.91 118.95 119.55 3a4o s ARG 256 Ca -0.01 1.93 -0.22 0.00 -0.52 0.00 0.00 55.73 56.91 3a4o s ARG 256 Cb 0.06 -3.26 0.34 0.00 0.52 0.00 0.00 34.95 32.61 3a4o s ARG 256 CO 0.20 -0.24 0.78 -0.35 0.02 0.00 0.00 175.30 175.72 3a4o n PRO 257 N 3.19 -4.29 -4.18 3.54 -0.04 -1.26 -5.04 135.00 126.93 3a4o n PRO 257 Ca 0.07 -1.27 -0.23 0.00 -0.04 0.00 0.00 63.50 62.04 3a4o n PRO 257 Cb 0.44 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 3a4o n PRO 257 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3a4o s THR 258 N -2.12 3.56 0.07 0.52 -4.23 -1.26 -4.96 115.64 107.22 3a4o s THR 258 Ca 0.61 -1.71 -0.36 0.00 -1.18 0.00 0.00 61.69 59.05 3a4o s THR 258 Cb -0.12 -3.03 -0.19 0.00 1.34 0.00 0.00 72.50 70.50 3a4o s THR 258 CO 0.52 -0.31 1.59 -0.26 -0.54 0.00 0.00 174.62 175.62 3a4o h PHE 259 N 1.67 -1.16 -0.65 3.99 0.04 -1.93 -2.55 116.94 116.36 3a4o h PHE 259 Ca -0.45 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.41 3a4o h PHE 259 Cb 1.25 0.40 -0.11 0.00 2.20 0.00 0.00 35.95 39.69 3a4o h PHE 259 CO 0.63 -0.68 -0.24 -3.47 -0.60 0.00 0.00 178.31 173.95 3a4o n ASP 260 N -5.59 -0.38 0.13 2.17 4.64 -1.26 0.23 116.55 116.47 3a4o n ASP 260 Ca -0.15 1.13 -0.12 0.00 -1.38 0.00 0.00 54.79 54.28 3a4o n ASP 260 Cb 0.47 -0.28 -0.07 0.00 -1.04 0.00 0.00 41.12 40.21 3a4o n ASP 260 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3a4o h TYR 261 N 0.00 -1.00 -0.07 -0.67 3.20 -1.91 2.21 116.97 118.73 3a4o h TYR 261 Ca 0.24 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3a4o h TYR 261 Cb 0.41 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3a4o h TYR 261 CO -0.56 -0.43 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.22 3a4o h LEU 262 N -0.58 -0.79 -0.65 2.82 3.38 0.21 1.52 115.31 121.21 3a4o h LEU 262 Ca -0.02 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3a4o h LEU 262 Cb 0.55 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3a4o h LEU 262 CO -0.13 -0.22 -0.36 1.67 0.09 0.00 0.00 178.44 179.49 3a4o n GLN 263 N -3.88 -0.26 0.15 1.13 0.00 0.61 0.81 117.38 115.95 3a4o n GLN 263 Ca -0.03 0.99 -0.14 0.00 -0.00 0.00 0.00 57.00 57.83 3a4o n GLN 263 Cb 0.17 -1.46 -0.08 0.00 0.00 0.00 0.00 30.24 28.87 3a4o n GLN 263 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3a4o h SER 264 N 0.00 -0.27 0.43 1.69 0.87 0.56 -2.73 113.55 114.11 3a4o h SER 264 Ca 0.13 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3a4o h SER 264 Cb 0.29 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3a4o h SER 264 CO -0.62 -0.17 -0.03 -0.37 -0.53 0.00 0.00 176.83 175.11 3a4o h VAL 265 N -0.34 0.14 0.00 2.23 -1.51 0.53 0.37 116.25 117.68 3a4o h VAL 265 Ca -0.03 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 3a4o h VAL 265 Cb 0.26 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3a4o h VAL 265 CO 0.05 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 176.60 3a4o n LEU 266 N -3.23 0.00 -0.13 4.19 4.77 0.24 -2.35 117.00 120.49 3a4o n LEU 266 Ca -0.02 0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 3a4o n LEU 266 Cb 0.19 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 3a4o n LEU 266 CO 0.25 -0.00 -1.38 0.47 -1.33 0.00 0.00 177.39 175.39 3a4o n ASP 267 N -1.20 1.89 0.10 -1.43 9.92 0.09 -4.09 116.55 121.83 3a4o n ASP 267 Ca 0.17 0.33 -0.04 0.00 -0.53 0.00 0.00 54.79 54.72 3a4o n ASP 267 Cb 0.20 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 39.87 3a4o n ASP 267 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3a4o h ASP 268 N -0.96 -0.21 0.00 -2.24 3.32 -1.52 -1.76 116.42 113.05 3a4o h ASP 268 Ca -0.65 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3a4o h ASP 268 Cb 1.56 0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3a4o h ASP 268 CO -0.39 -0.15 0.00 0.49 -1.72 0.00 0.00 179.24 177.47 3a4o n PHE 269 N -2.68 0.00 0.00 4.55 3.72 -0.99 -3.05 117.46 119.01 3a4o n PHE 269 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3a4o n PHE 269 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3a4o n PHE 269 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3a4o n TYR 270 N -0.71 0.00 -0.29 1.38 9.36 -0.70 -4.32 117.16 121.88 3a4o n TYR 270 Ca 0.01 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.49 3a4o n TYR 270 Cb 0.01 -0.13 0.45 0.00 -0.63 0.00 0.00 39.34 39.03 3a4o n TYR 270 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3a4o n THR 271 N -1.55 -0.22 -0.47 2.97 -2.24 -0.98 0.39 114.28 112.17 3a4o n THR 271 Ca 0.00 1.32 0.41 0.00 -2.27 0.00 0.00 64.05 63.51 3a4o n THR 271 Cb 0.00 -2.16 0.74 0.00 -2.10 0.00 0.00 70.33 66.80 3a4o n THR 271 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4o h ALA 272 N 1.23 3.23 0.19 6.98 0.00 -1.75 2.50 119.26 131.64 3a4o h ALA 272 Ca 0.61 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.18 3a4o h ALA 272 Cb 1.82 0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.75 3a4o h ALA 272 CO -0.41 -1.70 -1.52 1.79 0.00 0.00 0.00 179.25 177.41 3a4o h THR 273 N 0.05 1.21 0.00 0.00 1.35 0.70 -3.53 112.91 112.69 3a4o h THR 273 Ca 0.74 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3a4o h THR 273 Cb 2.76 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 72.08 3a4o h THR 273 CO -0.11 0.84 0.00 1.21 -0.25 0.00 0.00 175.52 177.21