#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c8o s TYR 3 N 0.00 1.84 -0.26 1.57 1.51 -1.26 -4.97 117.35 115.78 3c8o s TYR 3 Ca 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3c8o s TYR 3 Cb 0.00 -1.08 0.07 0.00 -0.11 0.00 0.00 41.96 40.84 3c8o s TYR 3 CO 0.00 0.12 -0.04 0.08 -1.11 0.00 0.00 175.55 174.60 3c8o s VAL 4 N -0.87 1.75 0.29 0.71 1.01 -1.26 -4.77 120.40 117.26 3c8o s VAL 4 Ca 0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 3c8o s VAL 4 Cb -0.09 -2.05 0.26 0.00 0.00 0.00 0.00 36.38 34.50 3c8o s VAL 4 CO 0.02 -0.21 1.95 0.71 0.00 0.00 0.00 175.10 177.58 3c8o h THR 5 N 6.67 1.22 -0.72 3.92 1.35 -1.92 -1.73 112.91 121.70 3c8o h THR 5 Ca -0.16 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 65.35 3c8o h THR 5 Cb 1.05 -0.01 -0.06 0.00 -1.73 0.00 0.00 68.15 67.40 3c8o h THR 5 CO 0.45 0.22 0.41 -0.65 -0.25 0.00 0.00 175.52 175.69 3c8o h PRO 6 N 1.15 0.71 -0.81 4.72 0.11 -1.98 0.26 132.00 136.16 3c8o h PRO 6 Ca 0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3c8o h PRO 6 Cb -0.11 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 30.80 3c8o h PRO 6 CO -0.06 0.47 0.42 -0.44 -0.21 0.00 0.00 178.00 178.17 3c8o h ASP 7 N 0.74 1.02 -0.24 -2.05 3.32 -1.77 -0.52 116.42 116.91 3c8o h ASP 7 Ca 0.33 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 3c8o h ASP 7 Cb 0.22 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3c8o h ASP 7 CO -0.19 0.84 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.48 3c8o h LEU 8 N 1.14 0.97 -0.64 1.55 3.38 -1.01 -1.53 115.31 119.16 3c8o h LEU 8 Ca 0.28 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3c8o h LEU 8 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3c8o h LEU 8 CO -0.04 1.36 0.32 0.00 0.09 0.00 0.00 178.44 180.16 3c8o h ASP 10 N 0.88 1.05 0.63 0.00 5.19 -1.04 -3.09 116.42 120.04 3c8o h ASP 10 Ca 0.22 -0.24 -0.24 0.00 -0.62 0.00 0.00 57.03 56.15 3c8o h ASP 10 Cb 0.11 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 3c8o h ASP 10 CO -0.03 1.02 -1.10 0.00 -3.12 0.00 0.00 179.24 176.01 3c8o h ALA 11 N 1.07 0.24 -2.16 3.45 0.00 -1.16 -3.39 119.26 117.32 3c8o h ALA 11 Ca 0.21 -0.83 -0.55 0.00 0.00 0.00 0.00 54.91 53.74 3c8o h ALA 11 Cb 0.38 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.73 3c8o h ALA 11 CO 0.00 0.98 -0.85 0.66 0.00 0.00 0.00 179.25 180.04 3c8o n TYR 12 N -3.56 2.42 0.24 0.00 4.02 -0.37 -4.93 117.16 114.97 3c8o n TYR 12 Ca -0.06 -3.93 0.08 0.00 -0.01 0.00 0.00 57.90 53.98 3c8o n TYR 12 Cb 0.95 -0.46 0.58 0.00 -0.02 0.00 0.00 39.34 40.38 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 3.21 0.00 -0.00 -0.72 0.13 -1.74 -2.20 132.00 130.67 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 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3c8o h PRO 13 CO 0.69 0.16 -0.11 -0.85 -0.23 0.00 0.00 178.00 177.66 3c8o n GLU 14 N -4.13 0.03 -0.03 0.86 0.28 -1.26 -4.05 120.64 112.33 3c8o n GLU 14 Ca -0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3c8o n GLU 14 Cb 0.24 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.51 3c8o n GLU 14 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3c8o n LEU 15 N -1.48 0.00 -4.84 -1.84 4.77 -0.85 -5.04 117.00 107.72 3c8o n LEU 15 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 3c8o n LEU 15 Cb 0.33 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3c8o n LEU 15 CO 0.29 0.14 0.25 0.68 -1.33 0.00 0.00 177.39 177.42 3c8o s VAL 16 N -2.56 4.82 -0.04 4.08 -7.23 -1.07 -4.30 120.40 114.11 3c8o s VAL 16 Ca -0.05 0.92 0.06 0.00 -1.81 0.00 0.00 61.98 61.11 3c8o s VAL 16 Cb 0.06 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 3c8o s VAL 16 CO 0.49 0.31 -0.23 -1.10 -0.31 0.00 0.00 175.10 174.25 3c8o s GLN 17 N -1.79 2.11 -0.22 4.82 -0.21 -0.40 -4.98 119.66 119.00 3c8o s GLN 17 Ca 0.36 -0.82 -0.10 0.00 0.02 0.00 0.00 55.36 54.82 3c8o s GLN 17 Cb -0.16 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 3c8o s GLN 17 CO 0.19 0.42 0.14 0.08 -2.12 0.00 0.00 175.29 173.99 3c8o s VAL 18 N -0.32 5.29 0.37 1.09 1.01 -1.26 -0.75 120.40 125.83 3c8o s VAL 18 Ca 0.02 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3c8o s VAL 18 Cb -0.11 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3c8o s VAL 18 CO 0.01 0.39 1.39 -0.69 0.00 0.00 0.00 175.10 176.20 3c8o s VAL 19 N 0.75 2.37 0.21 2.92 1.01 0.03 -4.90 120.40 122.79 3c8o s VAL 19 Ca 0.07 0.37 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 3c8o s VAL 19 Cb -0.13 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.89 3c8o s VAL 19 CO 0.02 0.08 1.43 -0.62 0.00 0.00 0.00 175.10 176.01 3c8o n GLU 20 N 0.48 1.98 -2.04 2.72 1.02 -0.51 -4.67 120.64 119.61 3c8o n GLU 20 Ca 0.01 0.71 -0.26 0.00 -0.02 0.00 0.00 57.16 57.59 3c8o n GLU 20 Cb 0.41 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 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 -0.06 2.51 0.00 3.49 0.02 -1.26 -4.44 135.00 135.26 3c8o s PRO 21 Ca 0.72 -0.39 0.00 0.00 0.02 0.00 0.00 61.00 61.34 3c8o s PRO 21 Cb -0.68 -5.08 0.00 0.00 0.02 0.00 0.00 34.50 28.76 3c8o s PRO 21 CO 0.47 -3.50 0.04 0.00 -0.33 0.00 0.00 177.00 173.68 3c8o n MET 22 N 8.77 0.61 -3.75 5.54 0.00 -1.26 -5.11 117.12 121.92 3c8o n MET 22 Ca 0.41 -0.04 -0.28 0.00 0.00 0.00 0.00 57.70 57.79 3c8o n MET 22 Cb 0.47 -0.32 -0.03 0.00 0.00 0.00 0.00 33.22 33.33 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 -0.10 3.49 0.09 3.17 0.40 -1.26 -4.66 117.98 119.11 3c8o s PHE 23 Ca 0.00 0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.75 3c8o s PHE 23 Cb 0.00 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 3c8o s PHE 23 CO 0.00 0.42 -0.23 -1.12 0.70 0.00 0.00 175.22 174.99 3c8o s SER 24 N -3.01 2.80 0.05 1.36 0.01 0.14 -4.94 113.70 110.11 3c8o s SER 24 Ca 0.38 -0.66 -0.28 0.00 1.31 0.00 0.00 55.95 56.70 3c8o s SER 24 Cb -0.11 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 3c8o s SER 24 CO 0.28 0.13 0.89 0.20 0.41 0.00 0.00 173.24 175.15 3c8o s ASN 25 N -1.73 7.34 0.00 2.44 0.01 -1.26 -1.85 114.94 119.89 3c8o s ASN 25 Ca 0.09 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 3c8o s ASN 25 Cb -0.10 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3c8o s ASN 25 CO 0.04 -0.09 0.00 0.49 -1.51 0.00 0.00 177.10 176.03 3c8o n PHE 26 N 3.15 0.00 -2.14 2.20 3.01 0.43 -5.00 117.46 119.10 3c8o n PHE 26 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 3c8o n PHE 26 Cb 0.50 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.06 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 -1.57 1.68 0.38 1.37 0.00 -1.17 -2.88 107.32 105.13 3c8o s GLY 27 Ca 0.00 -0.94 0.17 0.00 0.00 0.00 0.00 44.72 43.95 3c8o s GLY 27 CO 0.00 -0.48 1.80 -1.33 0.00 0.00 0.00 173.10 173.10 3c8o h GLY 28 N -0.77 0.00 -7.43 0.20 0.00 -0.89 -3.39 103.07 90.78 3c8o h GLY 28 Ca -0.44 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.23 3c8o h GLY 28 CO 0.59 0.00 -0.28 0.50 0.00 0.00 0.00 176.54 177.35 3c8o s ARG 29 N -3.91 3.63 0.00 4.80 0.52 -1.08 -4.89 118.95 118.02 3c8o s ARG 29 Ca -0.02 -0.35 0.28 0.00 -0.52 0.00 0.00 55.73 55.12 3c8o s ARG 29 Cb 0.13 -3.78 1.07 0.00 0.52 0.00 0.00 34.95 32.89 3c8o s ARG 29 CO 0.69 -0.49 1.81 -0.40 0.02 0.00 0.00 175.30 176.93 3c8o n ASP 30 N 5.38 0.14 -4.05 0.23 3.85 -1.26 -4.12 116.55 116.72 3c8o n ASP 30 Ca -0.09 0.25 -0.20 0.00 -0.71 0.00 0.00 54.79 54.04 3c8o n ASP 30 Cb 0.50 -0.29 -0.15 0.00 -1.35 0.00 0.00 41.12 39.82 3c8o n ASP 30 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3c8o s SER 31 N -2.96 1.30 0.12 -1.12 1.04 -1.26 -3.49 113.70 107.32 3c8o s SER 31 Ca 0.14 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 3c8o s SER 31 Cb 0.19 -0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.19 3c8o s SER 31 CO 0.57 0.12 0.72 0.72 0.98 0.00 0.00 173.24 176.34 3c8o s PHE 32 N -0.16 -0.43 -0.02 5.02 -0.12 -0.19 -4.66 117.98 117.42 3c8o s PHE 32 Ca 0.03 0.22 -0.30 0.00 -0.05 0.00 0.00 56.93 56.83 3c8o s PHE 32 Cb -0.05 0.57 0.11 0.00 -0.63 0.00 0.00 43.02 43.01 3c8o s PHE 32 CO -0.00 -0.78 1.04 0.20 -0.05 0.00 0.00 175.22 175.62 3c8o s GLY 33 N -2.69 -0.37 0.00 1.99 0.00 -1.26 -0.39 107.32 104.61 3c8o s GLY 33 Ca 0.04 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.69 3c8o s GLY 33 CO -0.09 0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.90 3c8o n GLY 34 N -0.29 -0.94 3.73 0.20 0.00 -0.66 -4.68 105.19 102.56 3c8o n GLY 34 Ca -0.06 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 4.56 -0.03 1.61 2.12 0.28 -1.92 118.70 123.33 3c8o s GLU 35 Ca 0.00 1.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 3c8o s GLU 35 Cb 0.00 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3c8o s GLU 35 CO 0.00 0.01 1.12 0.42 -0.54 0.00 0.00 175.26 176.27 3c8o s ILE 36 N -0.04 4.43 -0.05 -3.70 1.01 0.11 -0.44 121.20 122.52 3c8o s ILE 36 Ca 0.51 1.74 0.06 0.00 0.00 0.00 0.00 60.65 62.96 3c8o s ILE 36 Cb -0.30 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 3c8o s ILE 36 CO 0.34 0.06 -0.24 0.54 0.00 0.00 0.00 174.94 175.64 3c8o s VAL 37 N 1.67 2.13 0.16 2.92 0.11 -0.80 -1.42 120.40 125.16 3c8o s VAL 37 Ca 0.54 -1.05 0.07 0.00 -2.93 0.00 0.00 61.98 58.61 3c8o s VAL 37 Cb -0.24 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 3c8o s VAL 37 CO 0.24 0.57 -0.02 0.42 -3.33 0.00 0.00 175.10 172.98 3c8o s THR 38 N -0.27 3.68 -0.05 5.04 -4.23 -1.26 -0.54 115.64 118.01 3c8o s THR 38 Ca -0.00 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3c8o s THR 38 Cb -0.13 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.91 3c8o s THR 38 CO 0.03 -0.06 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.35 3c8o s ILE 39 N -1.63 0.69 -0.23 2.99 1.01 -0.20 -1.13 121.20 122.69 3c8o s ILE 39 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3c8o s ILE 39 Cb -0.10 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3c8o s ILE 39 CO 0.18 0.25 0.05 -0.75 0.00 0.00 0.00 174.94 174.67 3c8o s LYS 40 N 0.79 3.66 0.31 2.79 2.20 0.10 -0.11 119.74 129.48 3c8o s LYS 40 Ca -0.12 -0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 3c8o s LYS 40 Cb -0.14 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 3c8o s LYS 40 CO 0.01 -0.12 0.52 0.00 -0.36 0.00 0.00 175.35 175.40 3c8o s PHE 42 N -3.33 -0.96 -1.65 0.00 5.36 -1.26 -3.63 117.98 112.50 3c8o s PHE 42 Ca 0.25 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.56 3c8o s PHE 42 Cb -0.01 0.34 0.13 0.00 -0.34 0.00 0.00 43.02 43.14 3c8o s PHE 42 CO 0.14 -0.60 0.82 0.39 -1.46 0.00 0.00 175.22 174.51 3c8o n GLU 43 N 5.40 -3.76 -3.15 10.12 1.02 -1.26 -4.91 120.64 124.10 3c8o n GLU 43 Ca -0.07 0.43 0.04 0.00 -0.02 0.00 0.00 57.16 57.54 3c8o n GLU 43 Cb 0.50 -5.17 -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 -3.35 -1.34 -0.36 1.62 -1.08 -1.26 -4.30 116.67 106.60 3c8o s ASP 44 Ca 0.69 0.84 0.08 0.00 -0.52 0.00 0.00 52.55 53.65 3c8o s ASP 44 Cb -0.37 2.13 0.74 0.00 -1.46 0.00 0.00 42.92 43.95 3c8o s ASP 44 CO 0.90 -0.25 1.84 -0.46 0.52 0.00 0.00 175.17 177.72 3c8o n ASN 45 N 5.43 4.62 -0.20 -0.34 6.94 -1.26 -4.65 115.26 125.81 3c8o n ASN 45 Ca -0.01 -3.32 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 3c8o n ASN 45 Cb 0.51 -0.77 0.09 0.00 -2.36 0.00 0.00 39.78 37.25 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 2.32 -0.29 0.77 0.53 0.02 -1.91 -2.15 113.55 112.83 3c8o h SER 46 Ca 0.35 0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 61.31 3c8o h SER 46 Cb 2.48 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 65.27 3c8o h SER 46 CO 0.83 -0.12 -0.70 -0.07 -1.14 0.00 0.00 176.83 175.64 3c8o h LEU 47 N 0.11 0.00 0.05 5.07 4.07 -1.82 -2.78 115.31 120.00 3c8o h LEU 47 Ca 0.31 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.28 3c8o h LEU 47 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3c8o h LEU 47 CO -0.52 0.70 -0.12 0.58 -1.08 0.00 0.00 178.44 177.99 3c8o h VAL 48 N 0.00 0.71 -0.76 1.22 2.07 -1.74 -1.63 116.25 116.11 3c8o h VAL 48 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3c8o h VAL 48 Cb 1.27 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3c8o h VAL 48 CO 0.09 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.63 3c8o h LYS 49 N -0.23 0.78 -0.72 1.57 3.64 -1.42 -2.08 116.57 118.11 3c8o h LYS 49 Ca 0.03 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3c8o h LYS 49 Cb 0.26 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 3c8o h LYS 49 CO -0.09 0.52 0.41 0.93 -2.27 0.00 0.00 179.45 178.95 3c8o h GLU 50 N 0.81 0.72 0.21 1.90 5.08 -1.19 -3.11 114.58 118.99 3c8o h GLU 50 Ca 0.34 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.35 3c8o h GLU 50 Cb 0.21 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 29.33 3c8o h GLU 50 CO -0.19 0.47 -1.32 1.96 -1.00 0.00 0.00 179.01 178.93 3c8o h GLN 51 N 0.74 0.52 0.00 2.33 1.08 -0.83 -3.20 115.11 115.75 3c8o h GLN 51 Ca 0.32 -0.84 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3c8o h GLN 51 Cb 0.21 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3c8o h GLN 51 CO -0.19 1.40 0.00 -0.39 -0.95 0.00 0.00 178.83 178.70 3c8o h VAL 52 N 0.09 0.00 0.00 -0.54 -1.51 -1.44 -0.45 116.25 112.40 3c8o h VAL 52 Ca -0.22 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3c8o h VAL 52 Cb 2.03 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 3c8o h VAL 52 CO 0.25 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.06 3c8o n ASP 53 N -2.53 0.72 -4.97 4.19 8.00 -1.18 -3.77 116.55 117.01 3c8o n ASP 53 Ca -0.00 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.90 3c8o n ASP 53 Cb 0.15 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 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 -3.18 3.35 0.04 -1.24 1.02 -0.18 -5.04 119.74 114.50 3c8o s LYS 54 Ca 0.08 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3c8o s LYS 54 Cb 0.11 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 3c8o s LYS 54 CO 0.51 0.31 1.95 0.34 -0.92 0.00 0.00 175.35 177.54 3c8o s ASP 55 N -4.04 6.45 -0.12 2.83 3.68 -1.26 -4.83 116.67 119.38 3c8o s ASP 55 Ca 0.37 2.67 0.18 0.00 2.13 0.00 0.00 52.55 57.91 3c8o s ASP 55 Cb -0.09 -2.53 0.28 0.00 -1.45 0.00 0.00 42.92 39.12 3c8o s ASP 55 CO 0.30 -1.05 1.14 0.61 0.13 0.00 0.00 175.17 176.30 3c8o n GLY 56 N 4.51 4.75 3.67 2.66 0.00 -0.20 -4.98 105.19 115.60 3c8o n GLY 56 Ca 0.20 -1.09 -0.48 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.39 2.10 -1.11 1.61 3.00 -1.17 -1.34 118.16 119.87 3c8o n LYS 57 Ca 0.15 0.76 -0.04 0.00 -0.00 0.00 0.00 58.31 59.19 3c8o n LYS 57 Cb 0.63 -2.56 -0.02 0.00 0.00 0.00 0.00 35.03 33.08 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 3.86 0.64 3.28 3.14 0.00 -1.26 -4.99 105.19 109.86 3c8o n GLY 58 Ca 0.20 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.68 1.10 -0.11 1.61 1.02 -0.45 -0.56 119.74 120.68 3c8o s LYS 59 Ca 0.00 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 54.84 3c8o s LYS 59 Cb 0.00 -1.28 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 3c8o s LYS 59 CO 0.00 0.29 -0.19 0.08 -0.92 0.00 0.00 175.35 174.60 3c8o s VAL 60 N -1.37 1.78 -0.35 3.17 1.01 0.41 -1.33 120.40 123.73 3c8o s VAL 60 Ca 0.07 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 3c8o s VAL 60 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3c8o s VAL 60 CO 0.04 0.50 0.87 -0.22 0.00 0.00 0.00 175.10 176.29 3c8o s LEU 61 N 0.67 4.04 -0.37 3.92 2.96 -0.64 -1.90 118.68 127.37 3c8o s LEU 61 Ca -0.12 0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 3c8o s LEU 61 Cb -0.16 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.36 3c8o s LEU 61 CO 0.03 -0.77 0.21 -0.69 -1.32 0.00 0.00 176.35 173.81 3c8o s VAL 62 N 3.27 4.67 -0.39 1.68 1.01 0.30 -0.71 120.40 130.23 3c8o s VAL 62 Ca 0.36 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3c8o s VAL 62 Cb -0.13 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3c8o s VAL 62 CO 0.16 -0.22 0.22 -0.69 0.00 0.00 0.00 175.10 174.58 3c8o s VAL 63 N 1.58 4.36 -0.81 2.92 1.01 0.93 -1.03 120.40 129.36 3c8o s VAL 63 Ca 0.03 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 3c8o s VAL 63 Cb -0.19 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.71 3c8o s VAL 63 CO 0.07 -0.35 1.22 -0.62 0.00 0.00 0.00 175.10 175.42 3c8o s ASP 64 N 1.79 6.30 -0.27 3.32 -1.08 0.84 -0.50 116.67 127.08 3c8o s ASP 64 Ca 0.02 -1.04 0.11 0.00 -0.52 0.00 0.00 52.55 51.12 3c8o s ASP 64 Cb -0.21 -2.50 0.73 0.00 -1.46 0.00 0.00 42.92 39.47 3c8o s ASP 64 CO 0.04 -1.55 1.70 0.61 0.52 0.00 0.00 175.17 176.49 3c8o n GLY 65 N 5.73 3.23 2.64 2.66 0.00 -0.64 -0.78 105.19 118.05 3c8o n GLY 65 Ca 0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 0.18 0.34 2.28 -0.02 0.00 -1.20 -2.99 105.19 103.79 3c8o n GLY 66 Ca 0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.41 1.07 3.71 -0.02 0.00 -0.39 -4.96 105.19 104.19 3c8o n GLY 67 Ca -0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3c8o n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c8o s SER 68 N -2.87 6.42 -0.41 1.61 0.15 -1.16 -4.71 113.70 112.73 3c8o s SER 68 Ca 0.00 2.81 0.05 0.00 0.70 0.00 0.00 55.95 59.51 3c8o s SER 68 Cb 0.00 -2.59 0.60 0.00 -1.71 0.00 0.00 66.02 62.32 3c8o s SER 68 CO 0.00 -0.97 1.76 0.18 1.20 0.00 0.00 173.24 175.41 3c8o n LEU 69 N 4.55 5.88 -0.00 3.45 4.77 -1.26 -3.54 117.00 130.86 3c8o n LEU 69 Ca 0.16 -3.75 0.01 0.00 -0.03 0.00 0.00 56.01 52.41 3c8o n LEU 69 Cb 0.36 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3c8o n LEU 69 CO 0.64 1.18 -0.22 0.54 -1.33 0.00 0.00 177.39 178.20 3c8o n ARG 70 N -1.12 3.68 -3.71 3.23 1.74 -1.26 -5.04 116.66 114.18 3c8o n ARG 70 Ca 0.51 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.45 3c8o n ARG 70 Cb 1.38 -0.81 -0.07 0.00 -1.02 0.00 0.00 32.46 31.94 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 -1.64 0.81 0.01 5.56 3.00 -1.26 -4.80 118.95 120.63 3c8o s ARG 71 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 55.73 55.32 3c8o s ARG 71 Cb 0.02 0.36 -0.06 0.00 0.00 0.00 0.00 34.95 35.27 3c8o s ARG 71 CO 0.11 -0.25 0.39 0.00 0.00 0.00 0.00 175.30 175.56 3c8o s ALA 72 N -1.94 3.71 -0.68 2.13 0.00 0.23 -3.93 121.76 121.29 3c8o s ALA 72 Ca -0.09 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 51.71 3c8o s ALA 72 Cb -0.02 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 3c8o s ALA 72 CO 0.01 0.51 0.54 1.28 0.00 0.00 0.00 175.76 178.09 3c8o n LEU 73 N 1.64 0.74 -3.79 0.00 4.77 0.24 -3.92 117.00 116.68 3c8o n LEU 73 Ca -0.13 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 3c8o n LEU 73 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 3c8o n LEU 73 CO 0.38 0.17 -0.15 -0.22 -1.33 0.00 0.00 177.39 176.24 3c8o s LEU 74 N -2.33 1.10 0.00 2.23 2.96 -1.25 -4.83 118.68 116.56 3c8o s LEU 74 Ca 0.06 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 3c8o s LEU 74 Cb 0.09 0.67 0.00 0.00 0.50 0.00 0.00 46.19 47.45 3c8o s LEU 74 CO 0.42 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.97 3c8o n GLY 75 N 3.21 4.15 0.28 7.98 0.00 -1.26 -0.35 105.19 119.20 3c8o n GLY 75 Ca -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 0.66 -0.17 1.61 3.04 -1.83 -1.30 116.42 118.43 3c8o h ASP 76 Ca 0.00 -0.13 -0.01 0.00 -3.24 0.00 0.00 57.03 53.64 3c8o h ASP 76 Cb 0.00 -0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 38.11 3c8o h ASP 76 CO 0.00 0.71 0.05 -0.03 -2.04 0.00 0.00 179.24 177.93 3c8o h MET 77 N 0.67 0.26 -0.16 4.15 4.05 -1.97 0.43 114.93 122.36 3c8o h MET 77 Ca 0.14 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.36 3c8o h MET 77 Cb 0.36 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3c8o h MET 77 CO 0.01 0.37 -0.51 -0.07 0.23 0.00 0.00 176.91 176.94 3c8o h LEU 78 N 0.10 0.49 -0.80 3.39 3.38 -1.95 -2.08 115.31 117.84 3c8o h LEU 78 Ca 0.05 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3c8o h LEU 78 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3c8o h LEU 78 CO -0.00 0.91 0.24 0.00 0.09 0.00 0.00 178.44 179.68 3c8o h ALA 79 N 1.10 1.03 -0.30 1.53 0.00 -1.12 -1.43 119.26 120.07 3c8o h ALA 79 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3c8o h ALA 79 Cb 1.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3c8o h ALA 79 CO 0.09 0.66 0.08 1.49 0.00 0.00 0.00 179.25 181.57 3c8o h GLU 80 N 1.09 0.47 -0.21 0.00 4.81 -0.75 -1.72 114.58 118.28 3c8o h GLU 80 Ca 0.24 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3c8o h GLU 80 Cb 0.29 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3c8o h GLU 80 CO -0.01 0.54 -0.14 0.87 -0.73 0.00 0.00 179.01 179.54 3c8o h LYS 81 N 0.32 -0.12 -0.53 1.92 1.57 -1.24 -1.06 116.57 117.43 3c8o h LYS 81 Ca 0.09 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3c8o h LYS 81 Cb 0.27 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3c8o h LYS 81 CO -0.00 -0.08 0.30 0.00 -0.57 0.00 0.00 179.45 179.10 3c8o h ALA 82 N 1.02 0.68 -0.21 3.86 0.00 -1.15 0.35 119.26 123.81 3c8o h ALA 82 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3c8o h ALA 82 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3c8o h ALA 82 CO -0.29 -0.01 0.11 0.00 0.00 0.00 0.00 179.25 179.06 3c8o h ALA 83 N 1.25 0.27 -0.36 0.00 0.00 -1.09 -0.81 119.26 118.52 3c8o h ALA 83 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3c8o h ALA 83 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3c8o h ALA 83 CO -0.12 -0.19 -0.02 0.87 0.00 0.00 0.00 179.25 179.79 3c8o h LYS 84 N 0.23 0.57 -0.19 0.00 1.79 -0.90 -2.79 116.57 115.26 3c8o h LYS 84 Ca 0.07 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3c8o h LYS 84 Cb 0.08 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3c8o h LYS 84 CO -0.01 0.61 0.00 0.09 -1.08 0.00 0.00 179.45 179.06 3c8o n ASN 85 N -4.25 1.45 0.00 0.86 3.02 0.09 -4.93 115.26 111.50 3c8o n ASN 85 Ca 0.02 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 3c8o n ASN 85 Cb 0.27 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 1.04 0.74 3.74 7.41 0.00 -0.91 -1.03 105.19 116.17 3c8o n GLY 86 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 2.76 -0.07 1.61 7.02 -0.36 -3.04 117.44 123.22 3c8o n TRP 87 Ca 0.00 0.28 -0.15 0.00 -1.02 0.00 0.00 57.50 56.62 3c8o n TRP 87 Cb 0.00 -2.58 -0.05 0.00 -2.42 0.00 0.00 31.31 26.26 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 4.67 0.74 -2.13 -0.99 4.39 -1.30 -3.43 114.58 116.53 3c8o h GLU 88 Ca -0.47 -0.47 0.35 0.00 0.34 0.00 0.00 59.36 59.12 3c8o h GLU 88 Cb 1.23 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 3c8o h GLU 88 CO 0.78 1.09 0.92 0.20 -1.16 0.00 0.00 179.01 180.85 3c8o s GLY 89 N -3.85 -0.13 -0.02 -3.84 0.00 -1.24 -2.64 107.32 95.60 3c8o s GLY 89 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3c8o s GLY 89 CO 0.86 5.93 0.00 -0.42 0.00 0.00 0.00 173.10 179.47 3c8o s ILE 90 N -2.02 0.10 -0.20 0.90 1.01 0.10 -1.62 121.20 119.48 3c8o s ILE 90 Ca 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 3c8o s ILE 90 Cb -0.01 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.30 3c8o s ILE 90 CO -0.01 0.09 -0.11 -0.69 0.00 0.00 0.00 174.94 174.23 3c8o s VAL 91 N 0.67 2.89 -0.29 2.92 1.01 0.11 -1.23 120.40 126.47 3c8o s VAL 91 Ca -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3c8o s VAL 91 Cb -0.09 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.07 3c8o s VAL 91 CO -0.01 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 3c8o s VAL 92 N 1.30 2.82 -1.29 2.92 1.01 0.67 -0.05 120.40 127.79 3c8o s VAL 92 Ca 0.04 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 3c8o s VAL 92 Cb -0.14 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.65 3c8o s VAL 92 CO -0.06 -0.11 1.77 0.00 0.00 0.00 0.00 175.10 176.70 3c8o n TYR 93 N 4.58 4.40 -2.52 5.22 -0.00 0.34 -3.34 117.16 125.84 3c8o n TYR 93 Ca -0.13 -2.65 0.00 0.00 -0.00 0.00 0.00 57.90 55.12 3c8o n TYR 93 Cb 0.43 -2.64 0.00 0.00 -0.00 0.00 0.00 39.34 37.13 3c8o n TYR 93 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3c8o n GLY 94 N 5.45 -0.30 3.63 2.98 0.00 -1.26 -1.26 105.19 114.42 3c8o n GLY 94 Ca 0.48 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.39 0.95 0.35 0.00 -4.36 -0.82 -0.59 121.20 114.34 3c8o s ILE 96 Ca 0.32 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 3c8o s ILE 96 Cb -0.05 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 3c8o s ILE 96 CO 0.20 0.00 0.41 0.00 0.24 0.00 0.00 174.94 175.78 3c8o s ARG 97 N -3.81 1.89 -1.26 0.37 1.70 0.52 -0.82 118.95 117.54 3c8o s ARG 97 Ca 0.28 -1.89 -0.03 0.00 -0.47 0.00 0.00 55.73 53.62 3c8o s ARG 97 Cb 0.05 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3c8o s ARG 97 CO 0.14 -0.76 1.07 -0.25 -1.08 0.00 0.00 175.30 174.42 3c8o n ASP 98 N -1.54 -3.66 0.17 -2.89 8.00 -1.26 -4.14 116.55 111.22 3c8o n ASP 98 Ca 0.04 -0.59 0.07 0.00 0.71 0.00 0.00 54.79 55.02 3c8o n ASP 98 Cb 0.62 -5.09 0.57 0.00 -0.02 0.00 0.00 41.12 37.20 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 -2.20 1.02 -0.11 2.53 -1.51 -1.96 -0.84 116.25 113.17 3c8o h VAL 99 Ca -0.58 -0.06 -0.14 0.00 -1.23 0.00 0.00 66.70 64.69 3c8o h VAL 99 Cb 1.35 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 3c8o h VAL 99 CO 0.52 0.03 -0.54 0.44 -1.23 0.00 0.00 177.57 176.79 3c8o h ASP 100 N 0.18 0.35 0.20 4.19 3.32 -1.94 -1.96 116.42 120.74 3c8o h ASP 100 Ca 0.06 -0.18 -0.28 0.00 0.02 0.00 0.00 57.03 56.65 3c8o h ASP 100 Cb 0.02 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.50 3c8o h ASP 100 CO -0.01 0.82 -1.28 0.58 -1.72 0.00 0.00 179.24 177.63 3c8o h VAL 101 N 0.24 1.30 -0.25 -1.35 2.07 -1.78 -3.33 116.25 113.14 3c8o h VAL 101 Ca 0.00 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 3c8o h VAL 101 Cb 1.03 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3c8o h VAL 101 CO 0.09 0.77 0.11 0.40 0.02 0.00 0.00 177.57 178.96 3c8o h ILE 102 N -0.08 1.10 0.00 4.57 2.04 -1.19 -2.11 117.51 121.83 3c8o h ILE 102 Ca -0.23 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3c8o h ILE 102 Cb 1.94 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3c8o h ILE 102 CO 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 178.15 178.45 3c8o h ALA 103 N 1.78 1.03 -0.11 1.87 0.00 -1.21 -2.29 119.26 120.33 3c8o h ALA 103 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3c8o h ALA 103 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3c8o h ALA 103 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3c8o n GLN 104 N -3.14 2.19 -3.46 0.00 10.64 -0.82 -3.43 117.38 119.36 3c8o n GLN 104 Ca -0.02 -2.43 -0.38 0.00 -1.83 0.00 0.00 57.00 52.34 3c8o n GLN 104 Cb 0.16 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.98 3c8o n GLN 104 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 3c8o s THR 105 N -2.38 5.13 -1.01 -0.39 2.01 -0.88 -4.90 115.64 113.21 3c8o s THR 105 Ca 0.29 0.81 -0.18 0.00 0.31 0.00 0.00 61.69 62.92 3c8o s THR 105 Cb 0.24 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 3c8o s THR 105 CO 0.05 0.47 2.06 -0.67 -0.69 0.00 0.00 174.62 175.85 3c8o n ASP 106 N 2.66 3.27 -3.63 3.53 2.03 -1.26 -1.54 116.55 121.61 3c8o n ASP 106 Ca -0.12 -2.70 -0.15 0.00 0.52 0.00 0.00 54.79 52.34 3c8o n ASP 106 Cb 0.52 -1.29 -0.07 0.00 -0.72 0.00 0.00 41.12 39.56 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 1.38 -0.27 -0.08 -2.67 2.96 -1.26 -4.66 118.68 114.08 3c8o s LEU 107 Ca 0.53 0.86 -0.26 0.00 -0.22 0.00 0.00 54.13 55.04 3c8o s LEU 107 Cb 0.14 2.13 -0.03 0.00 0.50 0.00 0.00 46.19 48.93 3c8o s LEU 107 CO 0.04 -0.40 0.81 -0.83 -1.32 0.00 0.00 176.35 174.66 3c8o s GLY 108 N -0.50 2.53 -0.06 7.98 0.00 -1.08 -2.36 107.32 113.83 3c8o s GLY 108 Ca -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 3c8o s GLY 108 CO 0.05 1.47 0.02 0.14 0.00 0.00 0.00 173.10 174.78 3c8o s VAL 109 N 1.28 0.20 -0.04 1.40 1.01 -1.26 0.03 120.40 123.02 3c8o s VAL 109 Ca 0.41 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.67 3c8o s VAL 109 Cb -0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3c8o s VAL 109 CO 0.19 0.22 -0.22 -1.10 0.00 0.00 0.00 175.10 174.18 3c8o s GLN 110 N 1.89 2.11 0.28 2.72 -0.21 -0.36 -0.43 119.66 125.66 3c8o s GLN 110 Ca 0.03 -0.80 -0.09 0.00 0.02 0.00 0.00 55.36 54.52 3c8o s GLN 110 Cb -0.12 -1.87 -0.00 0.00 1.00 0.00 0.00 33.01 32.01 3c8o s GLN 110 CO -0.04 0.38 0.47 0.00 -2.12 0.00 0.00 175.29 173.99 3c8o s ALA 111 N -0.24 0.12 0.04 6.09 0.00 -0.77 -0.24 121.76 126.75 3c8o s ALA 111 Ca 0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 3c8o s ALA 111 Cb -0.11 1.09 -0.17 0.00 0.00 0.00 0.00 23.12 23.93 3c8o s ALA 111 CO 0.02 -0.83 1.25 -0.07 0.00 0.00 0.00 175.76 176.13 3c8o h LEU 112 N 2.22 0.51 -7.78 0.00 3.38 -1.41 0.42 115.31 112.65 3c8o h LEU 112 Ca -0.28 -0.60 0.17 0.00 0.09 0.00 0.00 57.88 57.27 3c8o h LEU 112 Cb 1.25 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3c8o h LEU 112 CO 0.38 1.02 0.55 0.00 0.09 0.00 0.00 178.44 180.47 3c8o s ALA 113 N -3.85 -1.63 0.17 1.53 0.00 -1.25 -4.66 121.76 112.07 3c8o s ALA 113 Ca -0.13 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3c8o s ALA 113 Cb 0.05 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3c8o s ALA 113 CO 0.79 -1.05 0.32 -1.54 0.00 0.00 0.00 175.76 174.28 3c8o s SER 114 N -3.17 6.34 -0.28 0.00 1.04 -1.26 -1.93 113.70 114.44 3c8o s SER 114 Ca 0.17 0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 3c8o s SER 114 Cb -0.02 -1.92 0.10 0.00 0.10 0.00 0.00 66.02 64.28 3c8o s SER 114 CO 0.04 0.01 0.66 -2.28 0.98 0.00 0.00 173.24 172.65 3c8o s HIS 115 N -1.81 -1.15 -0.86 5.02 5.04 0.00 -4.84 115.29 116.69 3c8o s HIS 115 Ca 0.35 2.16 0.24 0.00 -1.54 0.00 0.00 55.06 56.28 3c8o s HIS 115 Cb -0.11 0.68 0.96 0.00 0.04 0.00 0.00 32.58 34.15 3c8o s HIS 115 CO 0.29 -0.57 1.75 -0.35 -2.34 0.00 0.00 174.74 173.52 3c8o n PRO 116 N 4.75 0.09 -3.03 2.88 -0.04 -1.26 -4.05 135.00 134.34 3c8o n PRO 116 Ca -0.17 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3c8o n PRO 116 Cb 0.55 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 3c8o n PRO 116 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3c8o s LEU 117 N -3.58 4.07 0.68 1.53 2.96 -1.26 -4.92 118.68 118.16 3c8o s LEU 117 Ca 0.10 0.84 -0.11 0.00 -0.22 0.00 0.00 54.13 54.74 3c8o s LEU 117 Cb 0.14 -2.98 -0.00 0.00 0.50 0.00 0.00 46.19 43.84 3c8o s LEU 117 CO 0.46 -0.42 1.07 -1.59 -1.32 0.00 0.00 176.35 174.55 3c8o s LYS 118 N 2.59 3.09 0.48 1.98 -2.85 -1.26 -0.60 119.74 123.17 3c8o s LYS 118 Ca 0.30 0.61 -0.03 0.00 -1.00 0.00 0.00 55.97 55.84 3c8o s LYS 118 Cb -0.15 -2.03 -0.02 0.00 -2.06 0.00 0.00 37.83 33.56 3c8o s LYS 118 CO 0.08 -0.90 0.75 0.95 0.10 0.00 0.00 175.35 176.33 3c8o s THR 119 N -3.26 4.44 -0.22 3.79 -4.23 -1.25 -4.82 115.64 110.08 3c8o s THR 119 Ca 0.57 -0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 3c8o s THR 119 Cb -0.11 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 3c8o s THR 119 CO 0.53 -0.60 0.68 -1.81 -0.54 0.00 0.00 174.62 172.88 3c8o s ASP 120 N -4.17 6.70 -0.29 3.99 1.01 -1.26 -4.92 116.67 117.74 3c8o s ASP 120 Ca 0.48 0.86 -0.26 0.00 0.71 0.00 0.00 52.55 54.34 3c8o s ASP 120 Cb -0.10 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3c8o s ASP 120 CO 0.42 -0.35 0.93 -0.54 0.21 0.00 0.00 175.17 175.84 3c8o s LYS 121 N 2.26 4.08 -0.02 8.23 1.02 -1.26 -4.63 119.74 129.42 3c8o s LYS 121 Ca 0.30 0.93 0.03 0.00 0.02 0.00 0.00 55.97 57.25 3c8o s LYS 121 Cb -0.16 -3.70 0.05 0.00 -0.52 0.00 0.00 37.83 33.50 3c8o s LYS 121 CO 0.09 -0.72 0.87 0.54 -0.92 0.00 0.00 175.35 175.22 3c8o n ARG 122 N 6.41 1.43 -1.24 1.68 1.74 -1.26 -5.00 116.66 120.41 3c8o n ARG 122 Ca 0.08 -1.30 -0.08 0.00 -0.77 0.00 0.00 57.85 55.77 3c8o n ARG 122 Cb 0.47 -0.87 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 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 -0.44 1.01 3.70 -0.13 0.00 -1.26 -5.01 105.19 103.06 3c8o n GLY 123 Ca 0.03 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.30 5.23 0.00 -0.61 -1.09 -1.26 -4.98 121.20 116.19 3c8o s ILE 124 Ca 0.00 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 3c8o s ILE 124 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3c8o s ILE 124 CO 0.00 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 3c8o n GLY 125 N 3.63 3.65 3.47 6.18 0.00 -1.26 -4.65 105.19 116.21 3c8o n GLY 125 Ca -0.09 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 4.51 -0.16 1.61 -0.00 0.33 -4.96 116.67 118.00 3c8o s ASP 126 Ca 0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 52.55 52.29 3c8o s ASP 126 Cb 0.00 -1.60 -0.05 0.00 -0.00 0.00 0.00 42.92 41.28 3c8o s ASP 126 CO 0.00 0.21 0.13 -0.22 -0.00 0.00 0.00 175.17 175.29 3c8o s LEU 127 N 0.12 4.28 -1.37 1.23 2.96 -1.26 -0.72 118.68 123.91 3c8o s LEU 127 Ca -0.03 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3c8o s LEU 127 Cb -0.14 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3c8o s LEU 127 CO 0.03 0.28 0.92 0.59 -1.32 0.00 0.00 176.35 176.86 3c8o n ASN 128 N 2.82 -3.34 -4.82 3.68 3.02 -0.28 -5.00 115.26 111.34 3c8o n ASN 128 Ca -0.18 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.36 3c8o n ASN 128 Cb 0.53 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.45 4.71 0.26 2.41 -7.23 -1.26 -4.86 120.40 110.98 3c8o s VAL 129 Ca 0.31 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.32 3c8o s VAL 129 Cb -0.15 -3.36 -0.11 0.00 0.56 0.00 0.00 36.38 33.32 3c8o s VAL 129 CO 0.79 -0.01 1.61 0.00 -0.31 0.00 0.00 175.10 177.19 3c8o s ALA 130 N -1.61 3.79 0.00 1.32 0.00 -1.26 -4.70 121.76 119.30 3c8o s ALA 130 Ca 0.31 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.87 3c8o s ALA 130 Cb -0.11 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3c8o s ALA 130 CO 0.24 -0.93 -0.18 0.14 0.00 0.00 0.00 175.76 175.03 3c8o s VAL 131 N 0.41 1.45 -0.15 0.00 -7.23 -0.72 -4.98 120.40 109.18 3c8o s VAL 131 Ca 0.67 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 3c8o s VAL 131 Cb -0.47 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.27 3c8o s VAL 131 CO 0.42 0.34 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.55 3c8o s THR 132 N -0.52 1.40 0.08 5.32 2.01 -1.26 0.39 115.64 123.05 3c8o s THR 132 Ca 0.07 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 3c8o s THR 132 Cb -0.07 -1.40 0.04 0.00 0.01 0.00 0.00 72.50 71.08 3c8o s THR 132 CO -0.00 0.33 0.47 0.72 -0.69 0.00 0.00 174.62 175.45 3c8o s PHE 133 N 1.54 -0.33 -1.54 4.92 -0.12 -0.72 -4.96 117.98 116.76 3c8o s PHE 133 Ca 0.03 0.23 -0.12 0.00 -0.05 0.00 0.00 56.93 57.01 3c8o s PHE 133 Cb -0.14 0.31 0.09 0.00 -0.63 0.00 0.00 43.02 42.65 3c8o s PHE 133 CO -0.09 -0.66 0.85 0.41 -0.05 0.00 0.00 175.22 175.67 3c8o n GLY 134 N 0.17 -0.43 2.71 1.99 0.00 -1.26 -1.85 105.19 106.52 3c8o n GLY 134 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.63 0.73 3.05 -0.02 0.00 -1.26 -1.43 105.19 104.62 3c8o n GLY 135 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.01 0.97 -0.32 1.61 1.01 -0.77 -4.95 120.40 114.94 3c8o s VAL 136 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3c8o s VAL 136 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3c8o s VAL 136 CO 0.00 0.29 0.44 -0.89 0.00 0.00 0.00 175.10 174.94 3c8o s THR 137 N 0.04 5.10 -0.36 3.92 2.01 -1.26 -1.76 115.64 123.33 3c8o s THR 137 Ca -0.01 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 3c8o s THR 137 Cb -0.08 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 3c8o s THR 137 CO 0.01 -0.05 0.46 -0.36 -0.69 0.00 0.00 174.62 173.98 3c8o s PHE 138 N 2.21 3.18 -0.15 4.92 0.40 0.16 -4.95 117.98 123.75 3c8o s PHE 138 Ca 0.16 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.47 3c8o s PHE 138 Cb -0.16 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 3c8o s PHE 138 CO 0.12 -0.55 -0.04 1.03 0.70 0.00 0.00 175.22 176.47 3c8o s ARG 139 N 2.26 3.64 0.27 0.44 0.52 -1.26 -1.76 118.95 123.06 3c8o s ARG 139 Ca 0.16 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 3c8o s ARG 139 Cb -0.16 -2.89 -0.13 0.00 0.52 0.00 0.00 34.95 32.29 3c8o s ARG 139 CO 0.13 0.25 1.44 -2.30 0.02 0.00 0.00 175.30 174.85 3c8o n PRO 140 N 3.50 2.24 0.00 3.54 -0.02 -1.26 -1.57 135.00 141.43 3c8o n PRO 140 Ca -0.17 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3c8o n PRO 140 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.92 2.93 0.74 -1.23 0.00 -0.51 -4.98 105.19 104.06 3c8o n GLY 141 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.19 -4.21 1.61 1.02 -0.61 -4.74 120.64 111.90 3c8o n GLU 142 Ca 0.00 -0.47 -0.20 0.00 -0.02 0.00 0.00 57.16 56.47 3c8o n GLU 142 Cb 0.00 -0.18 -0.12 0.00 -0.02 0.00 0.00 31.44 31.12 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 -0.85 1.42 -0.00 -0.32 0.40 0.39 0.04 117.98 119.06 3c8o s PHE 143 Ca 0.13 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3c8o s PHE 143 Cb -0.01 -0.79 -0.00 0.00 0.51 0.00 0.00 43.02 42.74 3c8o s PHE 143 CO 0.09 0.11 -0.02 0.54 0.70 0.00 0.00 175.22 176.64 3c8o s VAL 144 N -1.23 0.18 -0.01 -0.44 0.11 -0.81 -1.09 120.40 117.11 3c8o s VAL 144 Ca 0.01 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3c8o s VAL 144 Cb -0.10 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3c8o s VAL 144 CO 0.03 0.05 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.49 3c8o s TYR 145 N -0.04 0.56 0.00 1.54 1.51 -0.07 -1.65 117.35 119.21 3c8o s TYR 145 Ca 0.01 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 3c8o s TYR 145 Cb -0.01 -0.41 -0.00 0.00 -0.11 0.00 0.00 41.96 41.43 3c8o s TYR 145 CO -0.00 -0.05 -0.01 0.00 -1.11 0.00 0.00 175.55 174.38 3c8o s ALA 146 N 0.15 0.02 0.00 3.71 0.00 0.48 -0.59 121.76 125.53 3c8o s ALA 146 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3c8o s ALA 146 Cb -0.06 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3c8o s ALA 146 CO -0.00 -0.03 0.00 -0.40 0.00 0.00 0.00 175.76 175.33 3c8o n ASP 147 N 2.83 0.00 0.00 0.00 5.75 -0.68 -1.02 116.55 123.43 3c8o n ASP 147 Ca -0.14 -0.32 0.06 0.00 -0.01 0.00 0.00 54.79 54.38 3c8o n ASP 147 Cb 0.59 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.95 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 -0.64 0.00 -0.02 -1.12 3.02 -1.23 -3.02 115.26 112.25 3c8o n ASN 148 Ca 0.00 0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 54.93 3c8o n ASN 148 Cb 0.00 -0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.50 1.19 0.00 6.41 4.13 -1.26 -5.06 115.26 119.16 3c8o n ASN 149 Ca 0.03 0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.60 3c8o n ASN 149 Cb 0.15 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 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 1.71 -1.15 3.20 7.41 0.00 -1.17 -5.07 105.19 110.13 3c8o n GLY 150 Ca -0.23 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.00 1.73 0.12 -0.61 1.01 -1.26 -1.68 121.20 117.51 3c8o s ILE 151 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.83 3c8o s ILE 151 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3c8o s ILE 151 CO 0.00 0.49 -0.15 0.27 0.00 0.00 0.00 174.94 175.55 3c8o s ILE 152 N -0.05 1.36 0.18 2.92 -4.36 0.24 -0.79 121.20 120.70 3c8o s ILE 152 Ca -0.04 -1.69 0.09 0.00 -0.26 0.00 0.00 60.65 58.74 3c8o s ILE 152 Cb -0.13 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 3c8o s ILE 152 CO 0.03 -0.38 -0.18 0.68 0.24 0.00 0.00 174.94 175.33 3c8o s VAL 153 N -2.02 1.84 -0.12 8.37 -7.23 0.07 -0.89 120.40 120.43 3c8o s VAL 153 Ca 0.08 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 3c8o s VAL 153 Cb -0.06 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 35.03 3c8o s VAL 153 CO 0.03 -0.35 0.39 -0.55 -0.31 0.00 0.00 175.10 174.30 3c8o s SER 154 N -2.79 -0.37 0.50 4.85 0.15 -0.25 -1.27 113.70 114.52 3c8o s SER 154 Ca 0.17 0.64 0.29 0.00 0.70 0.00 0.00 55.95 57.76 3c8o s SER 154 Cb -0.05 0.69 1.03 0.00 -1.71 0.00 0.00 66.02 65.98 3c8o s SER 154 CO 0.07 -0.22 1.86 1.55 1.20 0.00 0.00 173.24 177.70 3c8o h PRO 155 N 5.08 0.00 -6.73 5.44 0.13 -1.85 0.11 132.00 134.18 3c8o h PRO 155 Ca -0.27 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.19 3c8o h PRO 155 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 3c8o h PRO 155 CO 0.29 0.04 -0.83 -0.65 -0.23 0.00 0.00 178.00 176.63 3c8o s GLN 156 N -3.54 1.57 0.24 0.86 -0.21 -1.26 -4.58 119.66 112.74 3c8o s GLN 156 Ca 0.03 -1.37 -0.31 0.00 0.02 0.00 0.00 55.36 53.73 3c8o s GLN 156 Cb 0.08 -1.95 -0.11 0.00 1.00 0.00 0.00 33.01 32.04 3c8o s GLN 156 CO 0.59 0.44 1.56 0.00 -2.12 0.00 0.00 175.29 175.76 3c8o s ALA 157 N -1.34 3.74 -0.09 6.09 0.00 -1.26 -4.75 121.76 124.16 3c8o s ALA 157 Ca 0.18 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 3c8o s ALA 157 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3c8o s ALA 157 CO 0.09 -0.86 -0.02 -0.51 0.00 0.00 0.00 175.76 174.46 3c8o s LEU 158 N 0.09 3.45 -0.16 0.00 1.43 -1.26 -5.11 118.68 117.12 3c8o s LEU 158 Ca 0.65 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 3c8o s LEU 158 Cb -0.45 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3c8o s LEU 158 CO 0.41 0.36 0.11 -0.54 0.23 0.00 0.00 176.35 176.92 3c8o s LYS 159 N -0.76 3.75 0.29 1.70 1.02 -1.26 -5.08 119.74 119.39 3c8o s LYS 159 Ca 0.12 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 3c8o s LYS 159 Cb -0.11 -3.23 -0.11 0.00 -0.52 0.00 0.00 37.83 33.85 3c8o s LYS 159 CO 0.02 0.51 1.60 -1.64 -0.92 0.00 0.00 175.35 174.92 3c8o s MET 160 N -0.28 4.12 0.00 1.68 -1.94 -1.26 -5.01 119.30 116.62 3c8o s MET 160 Ca 0.10 2.57 0.00 0.00 -1.71 0.00 0.00 55.69 56.66 3c8o s MET 160 Cb -0.12 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 33.69 3c8o s MET 160 CO 0.01 -0.64 0.39 -2.30 -0.01 0.00 0.00 175.02 172.47