#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c8o s HIS 2 N 0.00 3.49 0.01 1.12 -3.43 -1.26 -4.62 115.29 110.61 3c8o s HIS 2 Ca 0.00 0.63 0.06 0.00 -0.80 0.00 0.00 55.06 54.94 3c8o s HIS 2 Cb 0.00 -2.05 -0.02 0.00 -1.43 0.00 0.00 32.58 29.08 3c8o s HIS 2 CO 0.00 0.44 -0.17 0.71 -2.00 0.00 0.00 174.74 173.73 3c8o s TYR 3 N -1.61 1.48 -0.31 0.38 1.51 -1.26 -5.00 117.35 112.55 3c8o s TYR 3 Ca 0.39 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 3c8o s TYR 3 Cb -0.12 -0.92 0.05 0.00 -0.11 0.00 0.00 41.96 40.85 3c8o s TYR 3 CO 0.23 0.02 0.02 0.08 -1.11 0.00 0.00 175.55 174.79 3c8o s VAL 4 N -0.60 3.19 0.22 0.71 1.01 -1.26 -4.78 120.40 118.89 3c8o s VAL 4 Ca 0.05 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.76 3c8o s VAL 4 Cb -0.07 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3c8o s VAL 4 CO 0.00 -0.12 1.53 0.00 0.00 0.00 0.00 175.10 176.51 3c8o h THR 5 N 6.39 1.41 -0.66 3.92 1.03 -1.93 -2.14 112.91 120.92 3c8o h THR 5 Ca -0.22 -2.10 -0.02 0.00 -0.01 0.00 0.00 66.41 64.07 3c8o h THR 5 Cb 1.07 2.09 -0.03 0.00 -1.07 0.00 0.00 68.15 70.20 3c8o h THR 5 CO 0.55 0.62 0.35 -0.65 -0.01 0.00 0.00 175.52 176.38 3c8o h PRO 6 N 0.16 0.91 -0.61 0.00 0.11 -1.98 -2.44 132.00 128.15 3c8o h PRO 6 Ca -0.01 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3c8o h PRO 6 Cb 1.18 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3c8o h PRO 6 CO 0.10 0.68 0.15 -0.44 -0.21 0.00 0.00 178.00 178.29 3c8o h ASP 7 N 0.92 0.89 -0.09 -2.05 3.32 -1.83 -1.95 116.42 115.61 3c8o h ASP 7 Ca 0.23 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 3c8o h ASP 7 Cb 0.04 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3c8o h ASP 7 CO -0.04 0.86 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.66 3c8o h LEU 8 N 0.91 0.79 -0.72 1.55 3.38 -1.36 -2.13 115.31 117.72 3c8o h LEU 8 Ca 0.20 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3c8o h LEU 8 Cb 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3c8o h LEU 8 CO -0.00 1.21 0.30 0.00 0.09 0.00 0.00 178.44 180.04 3c8o h ASP 10 N 1.02 0.79 0.69 0.00 3.32 -1.29 -2.99 116.42 117.97 3c8o h ASP 10 Ca 0.24 -0.24 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3c8o h ASP 10 Cb 0.19 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3c8o h ASP 10 CO -0.02 0.92 -1.27 0.00 -1.72 0.00 0.00 179.24 177.15 3c8o h ALA 11 N 1.15 0.27 -2.18 3.45 0.00 -1.26 -3.39 119.26 117.31 3c8o h ALA 11 Ca 0.12 -0.99 -0.55 0.00 0.00 0.00 0.00 54.91 53.49 3c8o h ALA 11 Cb 0.60 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.04 3c8o h ALA 11 CO 0.04 1.15 -0.85 0.66 0.00 0.00 0.00 179.25 180.24 3c8o n TYR 12 N -3.42 2.55 0.26 0.00 4.02 -0.34 -4.93 117.16 115.30 3c8o n TYR 12 Ca -0.08 -3.93 0.12 0.00 -0.01 0.00 0.00 57.90 53.99 3c8o n TYR 12 Cb 1.01 -0.46 0.69 0.00 -0.02 0.00 0.00 39.34 40.55 3c8o n TYR 12 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3c8o h PRO 13 N 3.04 0.00 -0.01 -0.72 0.13 -1.73 -1.95 132.00 130.76 3c8o h PRO 13 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3c8o h PRO 13 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3c8o h PRO 13 CO 0.70 0.14 -0.13 0.39 -0.23 0.00 0.00 178.00 178.86 3c8o n GLU 14 N -3.66 0.89 -0.04 0.86 1.02 -1.26 -4.14 120.64 114.31 3c8o n GLU 14 Ca -0.02 -0.40 -0.04 0.00 -0.02 0.00 0.00 57.16 56.69 3c8o n GLU 14 Cb 0.26 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 3c8o n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3c8o n LEU 15 N -0.70 0.00 -4.83 -4.62 4.77 -0.77 -5.05 117.00 105.80 3c8o n LEU 15 Ca 0.15 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.77 3c8o n LEU 15 Cb 0.30 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3c8o n LEU 15 CO 0.23 0.19 0.32 0.68 -1.33 0.00 0.00 177.39 177.48 3c8o s VAL 16 N -2.21 4.71 -0.04 4.08 -7.23 -0.97 -4.28 120.40 114.46 3c8o s VAL 16 Ca -0.04 1.09 0.05 0.00 -1.81 0.00 0.00 61.98 61.26 3c8o s VAL 16 Cb 0.02 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 3c8o s VAL 16 CO 0.32 0.26 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.62 3c8o s GLN 17 N -1.87 1.75 -0.19 4.82 0.74 -0.33 -4.98 119.66 119.61 3c8o s GLN 17 Ca 0.39 -0.63 -0.13 0.00 0.05 0.00 0.00 55.36 55.04 3c8o s GLN 17 Cb -0.16 -1.56 -0.05 0.00 1.10 0.00 0.00 33.01 32.35 3c8o s GLN 17 CO 0.20 0.29 0.26 0.08 -0.55 0.00 0.00 175.29 175.56 3c8o s VAL 18 N -0.08 5.31 0.42 1.34 1.01 -1.26 -0.89 120.40 126.26 3c8o s VAL 18 Ca -0.01 0.44 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 3c8o s VAL 18 Cb -0.11 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 3c8o s VAL 18 CO 0.02 0.36 1.39 -0.69 0.00 0.00 0.00 175.10 176.17 3c8o s VAL 19 N 0.75 2.28 0.19 2.92 1.01 -0.05 -4.91 120.40 122.59 3c8o s VAL 19 Ca 0.14 0.25 -0.33 0.00 0.00 0.00 0.00 61.98 62.04 3c8o s VAL 19 Cb -0.13 -3.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.96 3c8o s VAL 19 CO 0.04 0.04 1.39 -0.62 0.00 0.00 0.00 175.10 175.95 3c8o n GLU 20 N 0.01 1.80 -1.97 2.72 1.02 -0.29 -4.69 120.64 119.25 3c8o n GLU 20 Ca 0.04 0.64 -0.25 0.00 -0.02 0.00 0.00 57.16 57.58 3c8o n GLU 20 Cb 0.42 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.49 3c8o n GLU 20 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3c8o s PRO 21 N -0.02 2.39 0.00 3.49 0.02 -1.26 -4.41 135.00 135.21 3c8o s PRO 21 Ca 0.73 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.60 3c8o s PRO 21 Cb -0.73 -5.01 0.00 0.00 0.02 0.00 0.00 34.50 28.78 3c8o s PRO 21 CO 0.47 -3.55 0.00 0.00 -0.33 0.00 0.00 177.00 173.59 3c8o n MET 22 N 8.85 0.00 -3.41 5.54 0.00 -1.26 -5.12 117.12 121.72 3c8o n MET 22 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.85 3c8o n MET 22 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 33.22 33.61 3c8o n MET 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3c8o s PHE 23 N 0.00 3.49 0.08 3.17 0.40 -1.26 -4.68 117.98 119.17 3c8o s PHE 23 Ca 0.00 0.48 0.07 0.00 -0.60 0.00 0.00 56.93 56.88 3c8o s PHE 23 Cb 0.00 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3c8o s PHE 23 CO 0.00 0.19 -0.19 -1.12 0.70 0.00 0.00 175.22 174.79 3c8o s SER 24 N -3.50 2.34 -0.03 1.36 0.01 0.12 -4.93 113.70 109.07 3c8o s SER 24 Ca 0.41 -0.61 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 3c8o s SER 24 Cb -0.10 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 3c8o s SER 24 CO 0.32 0.07 0.90 0.20 0.41 0.00 0.00 173.24 175.15 3c8o s ASN 25 N -1.59 7.25 0.00 2.44 0.01 -1.26 -1.70 114.94 120.09 3c8o s ASN 25 Ca 0.05 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 3c8o s ASN 25 Cb -0.09 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3c8o s ASN 25 CO 0.03 -0.23 0.00 0.49 -1.51 0.00 0.00 177.10 175.88 3c8o n PHE 26 N 3.96 0.00 -2.27 2.20 3.01 0.63 -5.01 117.46 119.97 3c8o n PHE 26 Ca 0.04 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.24 3c8o n PHE 26 Cb 0.51 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.04 3c8o n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3c8o s GLY 27 N -1.63 1.67 0.47 1.37 0.00 -1.19 -2.72 107.32 105.30 3c8o s GLY 27 Ca 0.00 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.10 3c8o s GLY 27 CO 0.00 -0.51 1.89 -1.33 0.00 0.00 0.00 173.10 173.15 3c8o h GLY 28 N -0.45 0.00 -7.55 0.20 0.00 -0.92 -3.40 103.07 90.94 3c8o h GLY 28 Ca -0.45 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.24 3c8o h GLY 28 CO 0.60 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 177.28 3c8o s ARG 29 N -3.73 3.87 0.28 4.80 0.52 -1.10 -4.88 118.95 118.71 3c8o s ARG 29 Ca 0.00 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.06 3c8o s ARG 29 Cb 0.10 -3.70 0.40 0.00 0.52 0.00 0.00 34.95 32.27 3c8o s ARG 29 CO 0.61 -0.30 1.66 -0.44 0.02 0.00 0.00 175.30 176.85 3c8o h ASP 30 N 8.32 0.27 -4.34 0.23 5.19 -1.90 -3.37 116.42 120.82 3c8o h ASP 30 Ca -0.32 -0.12 -0.47 0.00 -0.62 0.00 0.00 57.03 55.49 3c8o h ASP 30 Cb 1.17 -0.08 -0.23 0.00 0.18 0.00 0.00 39.33 40.37 3c8o h ASP 30 CO 0.62 0.69 -0.80 -0.94 -3.12 0.00 0.00 179.24 175.69 3c8o s SER 31 N -6.88 1.95 0.13 6.45 1.04 -1.26 -3.78 113.70 111.35 3c8o s SER 31 Ca -0.04 -0.57 -0.25 0.00 0.48 0.00 0.00 55.95 55.57 3c8o s SER 31 Cb 0.13 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.21 3c8o s SER 31 CO 0.78 0.02 0.77 0.72 0.98 0.00 0.00 173.24 176.51 3c8o s PHE 32 N -1.05 -0.34 -0.16 5.02 -0.12 0.00 -4.67 117.98 116.66 3c8o s PHE 32 Ca 0.02 0.09 -0.34 0.00 -0.05 0.00 0.00 56.93 56.65 3c8o s PHE 32 Cb -0.09 0.60 0.13 0.00 -0.63 0.00 0.00 43.02 43.03 3c8o s PHE 32 CO 0.02 -0.83 1.15 0.20 -0.05 0.00 0.00 175.22 175.71 3c8o s GLY 33 N -2.74 -0.31 0.00 1.99 0.00 -1.26 -0.50 107.32 104.50 3c8o s GLY 33 Ca 0.06 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3c8o s GLY 33 CO -0.05 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.18 3c8o n GLY 34 N -0.08 -1.15 3.74 0.20 0.00 -0.43 -4.71 105.19 102.76 3c8o n GLY 34 Ca -0.02 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3c8o n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c8o s GLU 35 N -1.90 4.48 0.05 1.61 2.12 0.16 -1.56 118.70 123.65 3c8o s GLU 35 Ca 0.00 1.91 -0.30 0.00 0.36 0.00 0.00 54.97 56.93 3c8o s GLU 35 Cb 0.00 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 3c8o s GLU 35 CO 0.00 -0.11 1.16 0.42 -0.54 0.00 0.00 175.26 176.19 3c8o s ILE 36 N -0.07 4.18 -0.06 -3.70 1.01 0.12 -0.69 121.20 122.00 3c8o s ILE 36 Ca 0.53 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.79 3c8o s ILE 36 Cb -0.33 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3c8o s ILE 36 CO 0.37 0.12 -0.18 0.54 0.00 0.00 0.00 174.94 175.79 3c8o s VAL 37 N 1.10 1.57 0.12 2.92 0.11 -0.66 -1.95 120.40 123.60 3c8o s VAL 37 Ca 0.57 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3c8o s VAL 37 Cb -0.28 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 3c8o s VAL 37 CO 0.29 0.45 -0.05 0.42 -3.33 0.00 0.00 175.10 172.88 3c8o s THR 38 N 0.21 3.64 -0.06 5.04 -4.23 -1.26 -0.17 115.64 118.82 3c8o s THR 38 Ca -0.09 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 3c8o s THR 38 Cb -0.14 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3c8o s THR 38 CO 0.04 0.06 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.42 3c8o s ILE 39 N -1.37 1.16 -0.24 2.99 1.01 -0.28 -0.62 121.20 123.85 3c8o s ILE 39 Ca 0.24 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3c8o s ILE 39 Cb -0.11 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 3c8o s ILE 39 CO 0.16 0.36 0.03 -0.75 0.00 0.00 0.00 174.94 174.74 3c8o s LYS 40 N 0.48 3.55 0.31 2.79 2.20 -0.05 -0.12 119.74 128.90 3c8o s LYS 40 Ca -0.11 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 54.88 3c8o s LYS 40 Cb -0.14 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3c8o s LYS 40 CO 0.03 -0.20 0.51 0.00 -0.36 0.00 0.00 175.35 175.33 3c8o s PHE 42 N -3.37 -0.92 -1.68 0.00 5.36 -1.26 -3.71 117.98 112.39 3c8o s PHE 42 Ca 0.26 1.43 -0.18 0.00 -0.96 0.00 0.00 56.93 57.48 3c8o s PHE 42 Cb -0.01 0.30 0.15 0.00 -0.34 0.00 0.00 43.02 43.12 3c8o s PHE 42 CO 0.14 -0.60 0.83 0.39 -1.46 0.00 0.00 175.22 174.53 3c8o n GLU 43 N 5.39 -3.61 -3.15 10.12 1.02 -1.26 -4.91 120.64 124.24 3c8o n GLU 43 Ca -0.07 0.41 0.04 0.00 -0.02 0.00 0.00 57.16 57.52 3c8o n GLU 43 Cb 0.50 -5.18 -0.01 0.00 -0.02 0.00 0.00 31.44 26.73 3c8o n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3c8o s ASP 44 N -3.29 -1.37 -0.32 1.62 -1.08 -1.26 -4.24 116.67 106.73 3c8o s ASP 44 Ca 0.73 0.85 0.10 0.00 -0.52 0.00 0.00 52.55 53.72 3c8o s ASP 44 Cb -0.39 2.15 0.74 0.00 -1.46 0.00 0.00 42.92 43.95 3c8o s ASP 44 CO 0.91 -0.26 1.79 -0.46 0.52 0.00 0.00 175.17 177.67 3c8o n ASN 45 N 5.43 4.77 -0.22 -0.34 6.94 -1.26 -4.65 115.26 125.92 3c8o n ASN 45 Ca -0.01 -3.23 0.02 0.00 -0.02 0.00 0.00 54.58 51.33 3c8o n ASN 45 Cb 0.51 -0.74 0.11 0.00 -2.36 0.00 0.00 39.78 37.30 3c8o n ASN 45 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3c8o h SER 46 N 2.62 -0.39 0.77 0.53 0.02 -1.91 -0.88 113.55 114.31 3c8o h SER 46 Ca 0.25 0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.26 3c8o h SER 46 Cb 2.29 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 65.14 3c8o h SER 46 CO 0.71 -0.16 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.62 3c8o h LEU 47 N 0.08 0.00 -0.31 5.07 4.07 -1.83 -2.29 115.31 120.10 3c8o h LEU 47 Ca 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.29 3c8o h LEU 47 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3c8o h LEU 47 CO -0.60 0.56 0.14 0.58 -1.08 0.00 0.00 178.44 178.03 3c8o h VAL 48 N 0.00 1.16 -0.72 1.22 2.07 -1.56 -0.40 116.25 118.02 3c8o h VAL 48 Ca -0.01 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3c8o h VAL 48 Cb 1.09 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3c8o h VAL 48 CO 0.07 0.17 0.42 0.50 0.02 0.00 0.00 177.57 178.75 3c8o h LYS 49 N 0.36 0.74 -0.35 1.57 3.64 -1.04 -2.30 116.57 119.19 3c8o h LYS 49 Ca 0.10 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3c8o h LYS 49 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3c8o h LYS 49 CO -0.01 0.49 -0.08 0.93 -2.27 0.00 0.00 179.45 178.50 3c8o h GLU 50 N 0.76 0.68 -0.10 1.90 5.08 -1.17 -3.29 114.58 118.45 3c8o h GLU 50 Ca 0.32 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 3c8o h GLU 50 Cb 0.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3c8o h GLU 50 CO -0.18 0.84 -0.72 1.96 -1.00 0.00 0.00 179.01 179.90 3c8o h GLN 51 N 0.47 0.48 0.00 2.33 1.08 -0.90 -2.93 115.11 115.64 3c8o h GLN 51 Ca 0.09 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3c8o h GLN 51 Cb 0.59 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3c8o h GLN 51 CO 0.03 1.02 0.00 -0.39 -0.95 0.00 0.00 178.83 178.54 3c8o h VAL 52 N 0.33 0.00 0.00 -0.54 -1.51 -1.51 -1.29 116.25 111.74 3c8o h VAL 52 Ca -0.03 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3c8o h VAL 52 Cb 1.30 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3c8o h VAL 52 CO 0.13 0.00 -0.18 0.47 -1.23 0.00 0.00 177.57 176.76 3c8o n ASP 53 N -2.44 0.30 -4.93 4.19 8.00 -1.11 -3.75 116.55 116.82 3c8o n ASP 53 Ca 0.01 0.29 -0.25 0.00 0.71 0.00 0.00 54.79 55.56 3c8o n ASP 53 Cb 0.21 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3c8o n ASP 53 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3c8o s LYS 54 N -3.03 3.46 0.06 -1.24 -0.14 -0.49 -5.04 119.74 113.32 3c8o s LYS 54 Ca 0.12 -0.19 -0.31 0.00 -1.36 0.00 0.00 55.97 54.23 3c8o s LYS 54 Cb 0.17 -2.57 -0.08 0.00 -1.68 0.00 0.00 37.83 33.67 3c8o s LYS 54 CO 0.60 -0.00 1.69 0.34 -0.76 0.00 0.00 175.35 177.22 3c8o s ASP 55 N -4.08 6.58 -0.05 2.83 3.68 -1.26 -4.84 116.67 119.53 3c8o s ASP 55 Ca 0.43 2.51 0.09 0.00 2.13 0.00 0.00 52.55 57.70 3c8o s ASP 55 Cb -0.10 -2.56 0.21 0.00 -1.45 0.00 0.00 42.92 39.02 3c8o s ASP 55 CO 0.39 -0.91 1.15 0.61 0.13 0.00 0.00 175.17 176.54 3c8o n GLY 56 N 4.07 3.44 3.67 2.66 0.00 0.23 -4.97 105.19 114.28 3c8o n GLY 56 Ca 0.16 -0.45 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 3c8o n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3c8o n LYS 57 N -0.41 1.92 -1.00 1.61 3.00 -1.16 -0.82 118.16 121.30 3c8o n LYS 57 Ca 0.09 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 3c8o n LYS 57 Cb 0.45 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.01 3c8o n LYS 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3c8o n GLY 58 N 3.74 0.36 3.35 3.14 0.00 -1.26 -4.99 105.19 109.54 3c8o n GLY 58 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3c8o n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c8o s LYS 59 N -0.57 1.30 -0.11 1.61 1.02 0.00 -0.67 119.74 122.33 3c8o s LYS 59 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.72 3c8o s LYS 59 Cb 0.00 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.63 3c8o s LYS 59 CO 0.00 0.39 -0.22 0.08 -0.92 0.00 0.00 175.35 174.69 3c8o s VAL 60 N -1.19 1.93 -0.39 3.17 1.01 0.14 -1.54 120.40 123.52 3c8o s VAL 60 Ca 0.12 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3c8o s VAL 60 Cb -0.10 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3c8o s VAL 60 CO 0.06 0.53 0.93 -0.22 0.00 0.00 0.00 175.10 176.40 3c8o s LEU 61 N 0.56 3.98 -0.40 3.92 2.96 -0.53 -1.65 118.68 127.52 3c8o s LEU 61 Ca -0.14 0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 54.11 3c8o s LEU 61 Cb -0.17 -3.26 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3c8o s LEU 61 CO 0.05 -0.91 0.26 -0.69 -1.32 0.00 0.00 176.35 173.74 3c8o s VAL 62 N 3.57 5.02 -0.38 1.68 1.01 0.77 -0.67 120.40 131.38 3c8o s VAL 62 Ca 0.38 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3c8o s VAL 62 Cb -0.11 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.52 3c8o s VAL 62 CO 0.21 -0.27 0.22 -0.69 0.00 0.00 0.00 175.10 174.56 3c8o s VAL 63 N 1.64 4.47 -0.75 2.92 1.01 0.95 -1.13 120.40 129.51 3c8o s VAL 63 Ca 0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3c8o s VAL 63 Cb -0.19 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.69 3c8o s VAL 63 CO 0.09 -0.30 1.16 -0.62 0.00 0.00 0.00 175.10 175.43 3c8o s ASP 64 N 1.68 6.24 -0.26 3.32 -1.08 0.83 -0.59 116.67 126.80 3c8o s ASP 64 Ca 0.02 -0.91 0.13 0.00 -0.52 0.00 0.00 52.55 51.27 3c8o s ASP 64 Cb -0.20 -2.49 0.77 0.00 -1.46 0.00 0.00 42.92 39.54 3c8o s ASP 64 CO 0.06 -1.58 1.74 0.61 0.52 0.00 0.00 175.17 176.52 3c8o n GLY 65 N 5.53 3.35 2.68 2.66 0.00 -0.60 -0.81 105.19 118.00 3c8o n GLY 65 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3c8o n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c8o n GLY 66 N 0.24 0.19 2.24 -0.02 0.00 -1.20 -2.83 105.19 103.80 3c8o n GLY 66 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 3c8o n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c8o n GLY 67 N -0.50 0.62 3.67 -0.02 0.00 -0.51 -4.96 105.19 103.49 3c8o n GLY 67 Ca 0.00 -0.41 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 3c8o n GLY 67 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3c8o n SER 68 N 0.38 3.21 -1.73 1.61 2.88 -1.13 -4.67 113.62 114.18 3c8o n SER 68 Ca -0.03 1.07 -0.15 0.00 -1.33 0.00 0.00 58.87 58.43 3c8o n SER 68 Cb 0.18 -1.44 0.18 0.00 -0.75 0.00 0.00 64.21 62.38 3c8o n SER 68 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3c8o n LEU 69 N 3.66 5.50 -0.00 2.46 4.77 -1.26 -3.57 117.00 128.56 3c8o n LEU 69 Ca 0.17 -3.76 0.01 0.00 -0.03 0.00 0.00 56.01 52.41 3c8o n LEU 69 Cb 0.29 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3c8o n LEU 69 CO 0.64 1.20 -0.53 0.54 -1.33 0.00 0.00 177.39 177.91 3c8o n ARG 70 N -1.12 0.10 -3.91 3.23 1.74 -1.26 -5.03 116.66 110.41 3c8o n ARG 70 Ca 0.47 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.43 3c8o n ARG 70 Cb 1.32 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 31.60 3c8o n ARG 70 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3c8o s ARG 71 N -2.18 0.59 0.09 5.56 1.81 -1.26 -4.74 118.95 118.82 3c8o s ARG 71 Ca -0.01 -0.68 -0.17 0.00 -1.72 0.00 0.00 55.73 53.15 3c8o s ARG 71 Cb 0.02 0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 34.69 3c8o s ARG 71 CO 0.11 -0.15 0.54 0.00 -0.68 0.00 0.00 175.30 175.12 3c8o s ALA 72 N -2.43 3.60 -0.72 2.13 0.00 0.28 -3.94 121.76 120.68 3c8o s ALA 72 Ca -0.06 -0.06 0.12 0.00 0.00 0.00 0.00 51.96 51.95 3c8o s ALA 72 Cb -0.02 -2.56 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 3c8o s ALA 72 CO -0.04 0.43 0.56 1.28 0.00 0.00 0.00 175.76 177.99 3c8o n LEU 73 N 1.41 0.80 -3.78 0.00 4.77 0.47 -4.04 117.00 116.63 3c8o n LEU 73 Ca -0.09 -0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 3c8o n LEU 73 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 3c8o n LEU 73 CO 0.41 0.18 -0.08 -0.22 -1.33 0.00 0.00 177.39 176.35 3c8o s LEU 74 N -2.29 0.95 0.00 2.23 2.96 -1.25 -4.83 118.68 116.44 3c8o s LEU 74 Ca 0.06 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 3c8o s LEU 74 Cb 0.09 0.89 0.00 0.00 0.50 0.00 0.00 46.19 47.67 3c8o s LEU 74 CO 0.42 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 3c8o n GLY 75 N 3.04 4.75 0.32 7.98 0.00 -1.26 -0.24 105.19 119.79 3c8o n GLY 75 Ca -0.14 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 3c8o n GLY 75 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3c8o h ASP 76 N 0.00 1.05 -0.23 1.61 3.04 -1.82 -1.45 116.42 118.61 3c8o h ASP 76 Ca 0.00 -0.23 -0.01 0.00 -3.24 0.00 0.00 57.03 53.55 3c8o h ASP 76 Cb 0.00 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.00 3c8o h ASP 76 CO 0.00 1.01 0.11 0.24 -2.04 0.00 0.00 179.24 178.56 3c8o h MET 77 N 1.04 0.34 -0.18 4.15 2.86 -1.97 -0.53 114.93 120.64 3c8o h MET 77 Ca 0.21 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.64 3c8o h MET 77 Cb 0.39 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3c8o h MET 77 CO 0.01 0.36 -0.53 -0.07 1.06 0.00 0.00 176.91 177.73 3c8o h LEU 78 N 0.24 0.59 -0.55 1.22 3.38 -1.96 -1.85 115.31 116.37 3c8o h LEU 78 Ca 0.08 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3c8o h LEU 78 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3c8o h LEU 78 CO -0.01 1.01 0.18 0.00 0.09 0.00 0.00 178.44 179.71 3c8o h ALA 79 N 1.01 0.72 -0.48 1.53 0.00 -1.15 -1.05 119.26 119.84 3c8o h ALA 79 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3c8o h ALA 79 Cb 1.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3c8o h ALA 79 CO 0.10 0.38 -0.11 1.49 0.00 0.00 0.00 179.25 181.11 3c8o h GLU 80 N 0.77 0.91 -0.46 0.00 4.57 -1.04 -0.91 114.58 118.43 3c8o h GLU 80 Ca 0.18 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3c8o h GLU 80 Cb 0.27 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3c8o h GLU 80 CO -0.01 1.00 0.21 -0.22 -1.18 0.00 0.00 179.01 178.82 3c8o h LYS 81 N 0.76 0.41 -0.48 1.92 1.63 -1.23 -0.92 116.57 118.66 3c8o h LYS 81 Ca 0.12 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3c8o h LYS 81 Cb 0.66 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3c8o h LYS 81 CO 0.05 0.27 0.26 0.00 -3.45 0.00 0.00 179.45 176.58 3c8o h ALA 82 N 1.26 0.62 -0.32 5.00 0.00 -1.02 -1.42 119.26 123.37 3c8o h ALA 82 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3c8o h ALA 82 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3c8o h ALA 82 CO -0.16 0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.45 3c8o h ALA 83 N 1.10 0.41 -0.32 0.00 0.00 -0.88 -1.53 119.26 118.04 3c8o h ALA 83 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3c8o h ALA 83 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3c8o h ALA 83 CO -0.03 -0.12 -0.11 0.87 0.00 0.00 0.00 179.25 179.86 3c8o h LYS 84 N 0.43 0.54 -0.14 0.00 1.79 -1.08 -2.80 116.57 115.31 3c8o h LYS 84 Ca 0.12 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3c8o h LYS 84 Cb -0.04 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3c8o h LYS 84 CO -0.02 0.65 0.00 0.09 -1.08 0.00 0.00 179.45 179.08 3c8o n ASN 85 N -4.20 0.89 0.00 0.86 3.02 -0.54 -4.91 115.26 110.38 3c8o n ASN 85 Ca 0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3c8o n ASN 85 Cb 0.32 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3c8o n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c8o n GLY 86 N 0.84 0.76 3.68 7.41 0.00 -0.94 -0.60 105.19 116.34 3c8o n GLY 86 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 3c8o n GLY 86 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3c8o n TRP 87 N -2.15 2.31 -0.10 1.61 7.02 -0.62 -3.00 117.44 122.51 3c8o n TRP 87 Ca 0.00 0.28 -0.12 0.00 -1.02 0.00 0.00 57.50 56.64 3c8o n TRP 87 Cb 0.00 -2.54 -0.04 0.00 -2.42 0.00 0.00 31.31 26.31 3c8o n TRP 87 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3c8o h GLU 88 N 5.65 0.61 -2.15 -0.99 4.39 -1.36 -3.43 114.58 117.29 3c8o h GLU 88 Ca -0.45 -0.27 0.31 0.00 0.34 0.00 0.00 59.36 59.29 3c8o h GLU 88 Cb 1.25 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 3c8o h GLU 88 CO 0.87 0.85 0.84 0.20 -1.16 0.00 0.00 179.01 180.61 3c8o s GLY 89 N -3.48 -0.10 -0.03 -3.84 0.00 -1.24 -2.70 107.32 95.92 3c8o s GLY 89 Ca -0.13 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.61 3c8o s GLY 89 CO 0.80 4.61 -0.02 -0.42 0.00 0.00 0.00 173.10 178.06 3c8o s ILE 90 N -2.08 0.35 -0.20 0.90 1.01 0.62 -1.46 121.20 120.34 3c8o s ILE 90 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 3c8o s ILE 90 Cb -0.01 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 3c8o s ILE 90 CO 0.00 0.18 -0.04 -0.69 0.00 0.00 0.00 174.94 174.39 3c8o s VAL 91 N 0.92 3.60 -0.26 2.92 1.01 0.15 -1.23 120.40 127.50 3c8o s VAL 91 Ca -0.11 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3c8o s VAL 91 Cb -0.14 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3c8o s VAL 91 CO -0.01 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 3c8o s VAL 92 N 1.07 2.34 -1.28 2.92 1.01 0.90 -0.04 120.40 127.33 3c8o s VAL 92 Ca 0.01 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 60.28 3c8o s VAL 92 Cb -0.15 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3c8o s VAL 92 CO 0.00 -0.00 1.76 -0.47 0.00 0.00 0.00 175.10 176.39 3c8o s TYR 93 N 1.15 2.68 -5.00 5.22 6.04 0.24 -3.32 117.35 124.36 3c8o s TYR 93 Ca -0.07 -1.38 0.00 0.00 0.04 0.00 0.00 57.07 55.66 3c8o s TYR 93 Cb -0.19 -4.67 0.00 0.00 -1.04 0.00 0.00 41.96 36.05 3c8o s TYR 93 CO -0.05 -1.74 0.00 0.41 -1.54 0.00 0.00 175.55 172.63 3c8o n GLY 94 N 5.47 -0.30 3.54 8.97 0.00 -1.26 -1.43 105.19 120.18 3c8o n GLY 94 Ca 0.48 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3c8o n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c8o s ILE 96 N -2.22 1.06 0.33 0.00 -4.36 -0.83 -0.39 121.20 114.79 3c8o s ILE 96 Ca 0.29 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 3c8o s ILE 96 Cb -0.06 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 3c8o s ILE 96 CO 0.16 0.00 0.37 0.00 0.24 0.00 0.00 174.94 175.71 3c8o s ARG 97 N -3.80 1.80 -1.22 0.37 1.70 0.67 -0.80 118.95 117.68 3c8o s ARG 97 Ca 0.21 -1.85 -0.02 0.00 -0.47 0.00 0.00 55.73 53.60 3c8o s ARG 97 Cb 0.04 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3c8o s ARG 97 CO 0.11 -0.71 1.03 -0.25 -1.08 0.00 0.00 175.30 174.40 3c8o n ASP 98 N -1.39 -3.20 0.22 -2.89 8.00 -1.26 -4.13 116.55 111.90 3c8o n ASP 98 Ca 0.04 -0.59 0.05 0.00 0.71 0.00 0.00 54.79 55.00 3c8o n ASP 98 Cb 0.62 -5.01 0.51 0.00 -0.02 0.00 0.00 41.12 37.22 3c8o n ASP 98 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3c8o h VAL 99 N -2.08 1.12 -0.16 2.53 -1.51 -1.96 -1.00 116.25 113.20 3c8o h VAL 99 Ca -0.57 -0.57 -0.12 0.00 -1.23 0.00 0.00 66.70 64.21 3c8o h VAL 99 Cb 1.34 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 3c8o h VAL 99 CO 0.51 0.17 -0.41 0.44 -1.23 0.00 0.00 177.57 177.04 3c8o h ASP 100 N 0.02 0.39 0.16 4.19 3.32 -1.94 -1.60 116.42 120.96 3c8o h ASP 100 Ca 0.00 -0.17 -0.27 0.00 0.02 0.00 0.00 57.03 56.61 3c8o h ASP 100 Cb 0.29 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3c8o h ASP 100 CO 0.02 0.76 -1.31 0.58 -1.72 0.00 0.00 179.24 177.57 3c8o h VAL 101 N 0.30 1.20 -0.57 -1.35 2.07 -1.84 -3.33 116.25 112.73 3c8o h VAL 101 Ca 0.03 -2.51 0.05 0.00 0.82 0.00 0.00 66.70 65.08 3c8o h VAL 101 Cb 0.86 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 3c8o h VAL 101 CO 0.07 0.75 0.38 0.40 0.02 0.00 0.00 177.57 179.19 3c8o h ILE 102 N -0.18 1.02 0.00 4.57 2.04 -1.21 0.20 117.51 123.96 3c8o h ILE 102 Ca -0.26 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3c8o h ILE 102 Cb 1.86 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3c8o h ILE 102 CO 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 3c8o h ALA 103 N 1.68 1.06 -0.05 1.87 0.00 -1.08 -2.06 119.26 120.68 3c8o h ALA 103 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3c8o h ALA 103 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3c8o h ALA 103 CO -0.07 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3c8o n GLN 104 N -3.19 1.51 -3.20 0.00 1.13 0.00 -3.44 117.38 110.20 3c8o n GLN 104 Ca -0.02 -1.59 -0.39 0.00 -1.94 0.00 0.00 57.00 53.06 3c8o n GLN 104 Cb 0.13 -1.34 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 3c8o n GLN 104 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3c8o s THR 105 N -1.43 4.74 -1.12 5.09 2.01 -0.80 -4.88 115.64 119.26 3c8o s THR 105 Ca 0.21 1.31 -0.17 0.00 0.31 0.00 0.00 61.69 63.35 3c8o s THR 105 Cb 0.15 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 3c8o s THR 105 CO 0.22 0.50 2.10 -0.67 -0.69 0.00 0.00 174.62 176.08 3c8o n ASP 106 N 2.06 3.42 -3.62 3.53 2.03 -1.26 -1.63 116.55 121.07 3c8o n ASP 106 Ca -0.08 -2.73 -0.15 0.00 0.52 0.00 0.00 54.79 52.35 3c8o n ASP 106 Cb 0.50 -1.37 -0.07 0.00 -0.72 0.00 0.00 41.12 39.46 3c8o n ASP 106 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3c8o s LEU 107 N 1.56 -0.62 -0.02 -2.67 2.96 -1.26 -4.64 118.68 113.99 3c8o s LEU 107 Ca 0.52 1.26 -0.28 0.00 -0.22 0.00 0.00 54.13 55.41 3c8o s LEU 107 Cb 0.14 2.38 -0.03 0.00 0.50 0.00 0.00 46.19 49.18 3c8o s LEU 107 CO 0.01 -0.30 0.89 -0.83 -1.32 0.00 0.00 176.35 174.79 3c8o s GLY 108 N 0.08 2.81 -0.07 7.98 0.00 -1.10 -2.37 107.32 114.66 3c8o s GLY 108 Ca -0.02 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 3c8o s GLY 108 CO 0.03 1.52 0.03 0.14 0.00 0.00 0.00 173.10 174.82 3c8o s VAL 109 N 0.94 0.16 -0.08 1.40 1.01 -1.26 -0.28 120.40 122.30 3c8o s VAL 109 Ca 0.47 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.70 3c8o s VAL 109 Cb -0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3c8o s VAL 109 CO 0.25 0.18 -0.21 -1.10 0.00 0.00 0.00 175.10 174.21 3c8o s GLN 110 N 2.06 2.77 0.24 2.72 -0.21 -0.37 -0.27 119.66 126.60 3c8o s GLN 110 Ca 0.05 -0.84 -0.10 0.00 0.02 0.00 0.00 55.36 54.49 3c8o s GLN 110 Cb -0.13 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.58 3c8o s GLN 110 CO -0.05 0.35 0.41 0.00 -2.12 0.00 0.00 175.29 173.88 3c8o s ALA 111 N -0.07 0.05 0.06 6.09 0.00 -0.69 -0.07 121.76 127.15 3c8o s ALA 111 Ca -0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 3c8o s ALA 111 Cb -0.14 1.14 -0.16 0.00 0.00 0.00 0.00 23.12 23.95 3c8o s ALA 111 CO 0.04 -0.80 1.28 -0.07 0.00 0.00 0.00 175.76 176.21 3c8o h LEU 112 N 2.32 0.69 -7.84 0.00 3.38 -1.37 0.37 115.31 112.87 3c8o h LEU 112 Ca -0.28 -0.61 0.18 0.00 0.09 0.00 0.00 57.88 57.26 3c8o h LEU 112 Cb 1.25 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3c8o h LEU 112 CO 0.39 1.18 0.58 0.00 0.09 0.00 0.00 178.44 180.68 3c8o s ALA 113 N -3.81 -1.66 0.16 1.53 0.00 -1.24 -4.69 121.76 112.04 3c8o s ALA 113 Ca -0.12 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3c8o s ALA 113 Cb 0.07 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3c8o s ALA 113 CO 0.84 -1.06 0.25 -1.54 0.00 0.00 0.00 175.76 174.25 3c8o s SER 114 N -3.28 6.14 -0.25 0.00 1.04 -1.26 -1.96 113.70 114.13 3c8o s SER 114 Ca 0.19 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.59 3c8o s SER 114 Cb -0.02 -1.79 0.09 0.00 0.10 0.00 0.00 66.02 64.39 3c8o s SER 114 CO 0.04 0.05 0.60 -2.28 0.98 0.00 0.00 173.24 172.62 3c8o s HIS 115 N -1.76 -1.00 -0.29 5.02 5.04 0.02 -4.85 115.29 117.48 3c8o s HIS 115 Ca 0.34 1.94 0.28 0.00 -1.54 0.00 0.00 55.06 56.07 3c8o s HIS 115 Cb -0.11 0.56 0.96 0.00 0.04 0.00 0.00 32.58 34.04 3c8o s HIS 115 CO 0.27 -0.51 1.80 -1.00 -2.34 0.00 0.00 174.74 172.97 3c8o h PRO 116 N 7.32 0.00 -5.91 2.88 0.13 -1.94 -3.35 132.00 131.13 3c8o h PRO 116 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 3c8o h PRO 116 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 3c8o h PRO 116 CO 0.17 0.00 0.61 -1.17 -0.23 0.00 0.00 178.00 177.38 3c8o s LEU 117 N -5.52 4.09 0.83 1.56 2.96 -1.26 -4.90 118.68 116.44 3c8o s LEU 117 Ca 0.05 1.18 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 3c8o s LEU 117 Cb 0.09 -3.33 0.09 0.00 0.50 0.00 0.00 46.19 43.53 3c8o s LEU 117 CO 0.54 -0.58 1.17 -1.59 -1.32 0.00 0.00 176.35 174.58 3c8o s LYS 118 N 2.99 1.84 0.14 1.98 -2.85 -1.26 -0.55 119.74 122.01 3c8o s LYS 118 Ca 0.39 0.14 0.02 0.00 -1.00 0.00 0.00 55.97 55.52 3c8o s LYS 118 Cb -0.15 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.65 3c8o s LYS 118 CO 0.07 -1.69 0.26 -0.08 0.10 0.00 0.00 175.35 174.01 3c8o s THR 119 N -3.53 5.27 -0.31 3.79 -1.32 -1.26 -4.80 115.64 113.49 3c8o s THR 119 Ca 0.62 -0.67 -0.26 0.00 -1.21 0.00 0.00 61.69 60.18 3c8o s THR 119 Cb -0.12 -3.69 0.01 0.00 -1.51 0.00 0.00 72.50 67.19 3c8o s THR 119 CO 0.50 -0.06 0.91 -1.81 -2.21 0.00 0.00 174.62 171.95 3c8o s ASP 120 N -3.11 6.78 -0.37 8.08 1.01 -1.26 -4.91 116.67 122.90 3c8o s ASP 120 Ca 0.34 0.83 -0.29 0.00 0.71 0.00 0.00 52.55 54.15 3c8o s ASP 120 Cb -0.11 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3c8o s ASP 120 CO 0.28 -0.72 1.07 -0.54 0.21 0.00 0.00 175.17 175.47 3c8o s LYS 121 N 3.22 3.95 -0.01 8.23 1.02 -1.26 -4.60 119.74 130.30 3c8o s LYS 121 Ca 0.38 0.88 0.01 0.00 0.02 0.00 0.00 55.97 57.25 3c8o s LYS 121 Cb -0.13 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.40 3c8o s LYS 121 CO 0.13 -1.03 0.85 0.54 -0.92 0.00 0.00 175.35 174.92 3c8o n ARG 122 N 7.10 1.92 -1.74 1.68 1.74 -1.26 -5.01 116.66 121.09 3c8o n ARG 122 Ca 0.11 -1.21 -0.09 0.00 -0.77 0.00 0.00 57.85 55.89 3c8o n ARG 122 Cb 0.48 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 31.05 3c8o n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3c8o n GLY 123 N -0.37 0.49 3.69 -0.13 0.00 -1.26 -5.01 105.19 102.60 3c8o n GLY 123 Ca 0.01 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3c8o n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c8o s ILE 124 N -2.38 5.34 0.00 -0.61 -1.09 -1.26 -5.00 121.20 116.19 3c8o s ILE 124 Ca 0.00 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3c8o s ILE 124 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3c8o s ILE 124 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3c8o n GLY 125 N 3.83 3.49 3.39 6.18 0.00 -1.26 -4.67 105.19 116.16 3c8o n GLY 125 Ca -0.13 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 3c8o n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3c8o s ASP 126 N 0.00 3.80 -0.15 1.61 -0.00 0.08 -4.97 116.67 117.04 3c8o s ASP 126 Ca 0.00 -0.31 -0.09 0.00 -0.00 0.00 0.00 52.55 52.15 3c8o s ASP 126 Cb 0.00 -1.10 -0.04 0.00 -0.00 0.00 0.00 42.92 41.77 3c8o s ASP 126 CO 0.00 0.26 0.14 -0.22 -0.00 0.00 0.00 175.17 175.36 3c8o s LEU 127 N -0.24 4.31 -1.40 1.23 2.96 -1.26 -0.87 118.68 123.41 3c8o s LEU 127 Ca 0.00 0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 3c8o s LEU 127 Cb -0.13 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.50 3c8o s LEU 127 CO 0.03 0.30 0.91 0.59 -1.32 0.00 0.00 176.35 176.86 3c8o n ASN 128 N 2.69 -3.47 -4.88 3.68 3.02 0.21 -5.00 115.26 111.51 3c8o n ASN 128 Ca -0.18 -0.75 -0.26 0.00 -0.03 0.00 0.00 54.58 53.37 3c8o n ASN 128 Cb 0.54 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 3c8o n ASN 128 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3c8o s VAL 129 N -3.44 4.93 0.23 2.41 -7.23 -1.26 -4.83 120.40 111.20 3c8o s VAL 129 Ca 0.36 -0.91 -0.31 0.00 -1.81 0.00 0.00 61.98 59.31 3c8o s VAL 129 Cb -0.17 -3.55 -0.11 0.00 0.56 0.00 0.00 36.38 33.11 3c8o s VAL 129 CO 0.80 -0.13 1.61 0.00 -0.31 0.00 0.00 175.10 177.07 3c8o s ALA 130 N -1.78 3.80 0.01 1.32 0.00 -1.26 -4.70 121.76 119.14 3c8o s ALA 130 Ca 0.33 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.85 3c8o s ALA 130 Cb -0.10 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3c8o s ALA 130 CO 0.26 -0.88 -0.20 0.14 0.00 0.00 0.00 175.76 175.08 3c8o s VAL 131 N 0.66 1.61 -0.15 0.00 -7.23 -0.76 -4.98 120.40 109.54 3c8o s VAL 131 Ca 0.68 -0.98 -0.00 0.00 -1.81 0.00 0.00 61.98 59.87 3c8o s VAL 131 Cb -0.47 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.15 3c8o s VAL 131 CO 0.38 0.35 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.55 3c8o s THR 132 N -0.59 1.24 0.10 5.32 2.01 -1.26 0.15 115.64 122.61 3c8o s THR 132 Ca 0.08 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 3c8o s THR 132 Cb -0.08 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.15 3c8o s THR 132 CO 0.00 0.24 0.44 0.72 -0.69 0.00 0.00 174.62 175.33 3c8o s PHE 133 N 1.59 -0.27 -1.53 4.92 -0.12 -0.81 -4.96 117.98 116.80 3c8o s PHE 133 Ca 0.02 0.06 -0.14 0.00 -0.05 0.00 0.00 56.93 56.83 3c8o s PHE 133 Cb -0.14 0.29 0.09 0.00 -0.63 0.00 0.00 43.02 42.63 3c8o s PHE 133 CO -0.08 -0.68 0.89 0.41 -0.05 0.00 0.00 175.22 175.71 3c8o n GLY 134 N -0.02 -0.49 2.20 1.99 0.00 -1.26 -1.87 105.19 105.74 3c8o n GLY 134 Ca -0.17 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3c8o n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c8o n GLY 135 N -1.59 0.42 2.94 -0.02 0.00 -1.26 -1.13 105.19 104.55 3c8o n GLY 135 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3c8o n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c8o s VAL 136 N -1.83 0.42 -0.29 1.61 1.01 -0.78 -4.92 120.40 115.62 3c8o s VAL 136 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3c8o s VAL 136 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3c8o s VAL 136 CO 0.00 0.14 0.33 -0.89 0.00 0.00 0.00 175.10 174.68 3c8o s THR 137 N 0.14 5.20 -0.30 3.92 2.01 -1.26 -1.93 115.64 123.42 3c8o s THR 137 Ca -0.01 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.22 3c8o s THR 137 Cb -0.05 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3c8o s THR 137 CO -0.00 0.13 0.32 -0.36 -0.69 0.00 0.00 174.62 174.02 3c8o s PHE 138 N 1.99 3.22 -0.11 4.92 0.40 0.12 -4.95 117.98 123.58 3c8o s PHE 138 Ca 0.13 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.60 3c8o s PHE 138 Cb -0.16 -2.57 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 3c8o s PHE 138 CO 0.11 -0.30 -0.11 1.03 0.70 0.00 0.00 175.22 176.64 3c8o s ARG 139 N 1.97 3.18 0.24 0.44 0.52 -1.26 -1.83 118.95 122.20 3c8o s ARG 139 Ca 0.12 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 3c8o s ARG 139 Cb -0.16 -2.62 -0.13 0.00 0.52 0.00 0.00 34.95 32.56 3c8o s ARG 139 CO 0.11 0.36 1.53 -2.30 0.02 0.00 0.00 175.30 175.02 3c8o n PRO 140 N 3.12 2.34 0.00 3.54 -0.02 -1.26 -1.69 135.00 141.02 3c8o n PRO 140 Ca -0.18 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3c8o n PRO 140 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3c8o n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3c8o n GLY 141 N 2.58 2.85 0.75 -1.23 0.00 -0.82 -4.98 105.19 104.34 3c8o n GLY 141 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3c8o n GLY 141 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3c8o n GLU 142 N -2.00 0.15 -4.44 1.61 1.02 -0.68 -4.74 120.64 111.55 3c8o n GLU 142 Ca 0.00 -0.47 -0.21 0.00 -0.02 0.00 0.00 57.16 56.46 3c8o n GLU 142 Cb 0.00 -0.19 -0.14 0.00 -0.02 0.00 0.00 31.44 31.09 3c8o n GLU 142 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3c8o s PHE 143 N -0.93 1.34 -0.00 -0.32 0.40 0.41 0.13 117.98 119.01 3c8o s PHE 143 Ca 0.14 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 3c8o s PHE 143 Cb -0.01 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 3c8o s PHE 143 CO 0.09 0.04 -0.10 0.54 0.70 0.00 0.00 175.22 176.50 3c8o s VAL 144 N -0.79 0.75 -0.01 -0.44 0.11 -0.60 -0.76 120.40 118.65 3c8o s VAL 144 Ca 0.03 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 3c8o s VAL 144 Cb -0.08 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3c8o s VAL 144 CO 0.01 0.16 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.60 3c8o s TYR 145 N -0.33 0.40 -0.05 1.54 1.51 -0.01 -1.31 117.35 119.10 3c8o s TYR 145 Ca 0.03 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 55.97 3c8o s TYR 145 Cb -0.04 -0.31 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 3c8o s TYR 145 CO -0.00 -0.05 0.14 0.00 -1.11 0.00 0.00 175.55 174.53 3c8o s ALA 146 N 0.22 -0.33 0.00 3.71 0.00 0.35 -0.47 121.76 125.23 3c8o s ALA 146 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3c8o s ALA 146 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3c8o s ALA 146 CO -0.00 -0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.29 3c8o n ASP 147 N 3.04 0.00 0.04 0.00 5.75 -0.70 -0.82 116.55 123.86 3c8o n ASP 147 Ca -0.13 -0.41 0.07 0.00 -0.01 0.00 0.00 54.79 54.31 3c8o n ASP 147 Cb 0.59 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.99 3c8o n ASP 147 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3c8o n ASN 148 N -0.87 0.18 -0.02 -1.12 3.02 -1.25 -2.87 115.26 112.33 3c8o n ASN 148 Ca 0.00 0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 55.00 3c8o n ASN 148 Cb 0.00 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.44 3c8o n ASN 148 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3c8o n ASN 149 N -1.70 1.01 0.00 6.41 4.13 -1.26 -5.06 115.26 118.79 3c8o n ASN 149 Ca 0.02 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.65 3c8o n ASN 149 Cb 0.14 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 3c8o n ASN 149 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3c8o n GLY 150 N 1.63 -0.87 3.17 7.41 0.00 -1.14 -5.07 105.19 110.33 3c8o n GLY 150 Ca -0.20 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3c8o n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c8o s ILE 151 N -2.99 1.63 0.12 -0.61 1.01 -1.26 -1.72 121.20 117.37 3c8o s ILE 151 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3c8o s ILE 151 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3c8o s ILE 151 CO 0.00 0.46 -0.14 0.27 0.00 0.00 0.00 174.94 175.54 3c8o s ILE 152 N -0.01 1.28 0.04 2.92 -4.36 0.37 -0.87 121.20 120.57 3c8o s ILE 152 Ca -0.04 -1.70 0.06 0.00 -0.26 0.00 0.00 60.65 58.71 3c8o s ILE 152 Cb -0.12 -1.50 -0.02 0.00 1.25 0.00 0.00 42.46 42.06 3c8o s ILE 152 CO 0.03 -0.43 -0.17 -0.69 0.24 0.00 0.00 174.94 173.92 3c8o s VAL 153 N -2.15 1.39 -0.01 8.37 1.01 -0.07 -0.83 120.40 128.11 3c8o s VAL 153 Ca 0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3c8o s VAL 153 Cb -0.05 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3c8o s VAL 153 CO 0.03 0.10 0.04 -0.55 0.00 0.00 0.00 175.10 174.71 3c8o s SER 154 N -1.17 0.03 0.29 3.32 0.15 0.06 -1.19 113.70 115.18 3c8o s SER 154 Ca 0.05 -0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.87 3c8o s SER 154 Cb -0.08 0.10 1.01 0.00 -1.71 0.00 0.00 66.02 65.33 3c8o s SER 154 CO 0.02 -0.11 1.75 1.55 1.20 0.00 0.00 173.24 177.64 3c8o h PRO 155 N 5.60 0.00 -5.95 5.44 0.13 -1.85 0.12 132.00 135.48 3c8o h PRO 155 Ca -0.27 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.34 3c8o h PRO 155 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 3c8o h PRO 155 CO 0.46 0.00 -0.80 -0.65 -0.23 0.00 0.00 178.00 176.78 3c8o s GLN 156 N -3.34 1.17 0.23 0.86 -0.21 -1.26 -4.63 119.66 112.48 3c8o s GLN 156 Ca 0.04 -1.27 -0.31 0.00 0.02 0.00 0.00 55.36 53.85 3c8o s GLN 156 Cb 0.09 -1.29 -0.11 0.00 1.00 0.00 0.00 33.01 32.71 3c8o s GLN 156 CO 0.43 0.28 1.58 0.00 -2.12 0.00 0.00 175.29 175.46 3c8o s ALA 157 N -1.65 3.77 -0.02 6.09 0.00 -1.26 -4.73 121.76 123.96 3c8o s ALA 157 Ca 0.10 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.56 3c8o s ALA 157 Cb -0.08 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3c8o s ALA 157 CO 0.05 -0.86 -0.09 -0.51 0.00 0.00 0.00 175.76 174.35 3c8o s LEU 158 N 0.33 3.04 -0.02 0.00 1.43 -1.26 -5.13 118.68 117.07 3c8o s LEU 158 Ca 0.67 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 3c8o s LEU 158 Cb -0.46 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3c8o s LEU 158 CO 0.39 0.31 -0.12 -1.59 0.23 0.00 0.00 176.35 175.57 3c8o s LYS 159 N -1.19 2.48 0.26 1.70 -2.85 -1.26 -5.10 119.74 113.78 3c8o s LYS 159 Ca 0.15 -0.73 -0.31 0.00 -1.00 0.00 0.00 55.97 54.08 3c8o s LYS 159 Cb -0.11 -2.41 -0.12 0.00 -2.06 0.00 0.00 37.83 33.13 3c8o s LYS 159 CO 0.05 0.61 1.59 -1.33 0.10 0.00 0.00 175.35 176.37 3c8o n MET 160 N 1.94 2.58 0.00 1.78 2.81 -1.26 -5.01 117.12 119.96 3c8o n MET 160 Ca -0.17 0.92 0.02 0.00 -1.81 0.00 0.00 57.70 56.66 3c8o n MET 160 Cb 0.52 -2.70 0.11 0.00 -0.71 0.00 0.00 33.22 30.44 3c8o n MET 160 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18