#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm s THR 2 N 0.00 0.52 0.13 12.58 2.01 -1.26 -0.97 115.64 128.65 3jrm s THR 2 Ca 0.00 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.11 3jrm s THR 2 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3jrm s THR 2 CO 0.00 0.29 -0.20 0.42 -0.69 0.00 0.00 174.62 174.43 3jrm s THR 3 N 1.91 1.78 -0.01 -0.82 -4.23 -0.20 -2.42 115.64 111.65 3jrm s THR 3 Ca 0.05 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3jrm s THR 3 Cb -0.12 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3jrm s THR 3 CO -0.06 -0.15 0.10 0.54 -0.54 0.00 0.00 174.62 174.50 3jrm s VAL 4 N -1.51 0.06 -0.03 2.29 0.11 0.31 -1.02 120.40 120.61 3jrm s VAL 4 Ca 0.10 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3jrm s VAL 4 Cb -0.08 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3jrm s VAL 4 CO 0.05 -0.27 0.01 -0.83 -3.33 0.00 0.00 175.10 170.73 3jrm s GLY 5 N -0.91 0.23 0.20 6.54 0.00 0.01 -1.12 107.32 112.27 3jrm s GLY 5 Ca -0.10 0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.88 3jrm s GLY 5 CO 0.01 0.75 -0.18 -0.26 0.00 0.00 0.00 173.10 173.42 3jrm s ILE 6 N 1.23 1.93 0.04 0.90 -4.36 0.15 -1.44 121.20 119.64 3jrm s ILE 6 Ca -0.07 -2.10 0.08 0.00 -0.26 0.00 0.00 60.65 58.30 3jrm s ILE 6 Cb -0.13 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 3jrm s ILE 6 CO -0.02 -0.41 -0.21 0.42 0.24 0.00 0.00 174.94 174.96 3jrm s THR 7 N -2.40 2.55 0.07 8.37 -4.23 -0.57 -1.62 115.64 117.82 3jrm s THR 7 Ca 0.20 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3jrm s THR 7 Cb -0.04 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.76 3jrm s THR 7 CO 0.08 0.37 0.01 0.18 -0.54 0.00 0.00 174.62 174.72 3jrm n LEU 8 N 1.70 0.00 -0.19 4.79 4.77 -0.72 -4.92 117.00 122.42 3jrm n LEU 8 Ca -0.16 -0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 55.23 3jrm n LEU 8 Cb 0.52 0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 3jrm n LEU 8 CO 0.25 -0.08 1.10 0.11 -1.33 0.00 0.00 177.39 177.45 3jrm h LYS 9 N 0.00 0.73 -0.19 3.23 1.57 -1.84 -3.22 116.57 116.84 3jrm h LYS 9 Ca -0.06 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 3jrm h LYS 9 Cb 0.20 -0.16 -0.30 0.00 0.08 0.00 0.00 32.23 32.05 3jrm h LYS 9 CO 0.10 0.48 -0.90 -0.25 -0.57 0.00 0.00 179.45 178.31 3jrm n ASP 10 N -4.70 1.82 -3.72 0.86 10.43 -1.26 -4.70 116.55 115.28 3jrm n ASP 10 Ca 0.03 -2.70 -0.10 0.00 2.57 0.00 0.00 54.79 54.60 3jrm n ASP 10 Cb 0.02 -0.40 -0.05 0.00 1.84 0.00 0.00 41.12 42.53 3jrm n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jrm s ALA 11 N -2.10 -0.73 -0.04 2.24 0.00 -1.22 -4.47 121.76 115.44 3jrm s ALA 11 Ca 0.36 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.08 3jrm s ALA 11 Cb 0.37 0.71 0.02 0.00 0.00 0.00 0.00 23.12 24.22 3jrm s ALA 11 CO -0.09 -0.65 -0.07 0.08 0.00 0.00 0.00 175.76 175.03 3jrm s VAL 12 N -3.84 0.68 -0.10 0.00 1.01 -0.72 -1.76 120.40 115.67 3jrm s VAL 12 Ca 0.06 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3jrm s VAL 12 Cb 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3jrm s VAL 12 CO -0.09 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.46 3jrm s ILE 13 N 0.65 2.77 -0.02 2.22 1.01 -0.64 -0.45 121.20 126.74 3jrm s ILE 13 Ca -0.10 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3jrm s ILE 13 Cb -0.13 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3jrm s ILE 13 CO 0.01 0.55 -0.11 -0.04 0.00 0.00 0.00 174.94 175.35 3jrm s MET 14 N 0.10 1.05 0.04 2.79 -1.94 -0.44 -0.68 119.30 120.23 3jrm s MET 14 Ca -0.08 -0.38 -0.10 0.00 -1.71 0.00 0.00 55.69 53.42 3jrm s MET 14 Cb -0.15 -0.98 0.01 0.00 2.01 0.00 0.00 34.83 35.72 3jrm s MET 14 CO 0.05 0.17 0.22 0.00 -0.01 0.00 0.00 175.02 175.46 3jrm s ALA 15 N 0.02 -0.44 0.27 3.03 0.00 -0.28 -0.90 121.76 123.47 3jrm s ALA 15 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 3jrm s ALA 15 Cb -0.08 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3jrm s ALA 15 CO 0.00 -0.37 0.29 0.95 0.00 0.00 0.00 175.76 176.63 3jrm s THR 16 N -2.53 0.00 0.22 0.00 -4.23 -0.76 -0.53 115.64 107.80 3jrm s THR 16 Ca -0.05 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3jrm s THR 16 Cb -0.01 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.35 3jrm s THR 16 CO -0.04 0.00 0.13 -1.84 -0.54 0.00 0.00 174.62 172.33 3jrm n GLU 17 N -0.45 1.24 -0.09 3.99 -0.00 -1.02 -1.42 120.64 122.90 3jrm n GLU 17 Ca 0.03 -1.40 0.03 0.00 -0.00 0.00 0.00 57.16 55.82 3jrm n GLU 17 Cb 0.63 0.20 0.04 0.00 -0.00 0.00 0.00 31.44 32.31 3jrm n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3jrm n ARG 18 N -0.91 1.48 -2.82 3.44 1.74 -0.81 -4.59 116.66 114.19 3jrm n ARG 18 Ca -0.02 -1.54 -0.40 0.00 -0.77 0.00 0.00 57.85 55.12 3jrm n ARG 18 Cb 0.25 -0.97 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 3jrm n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3jrm s ARG 19 N -1.19 4.71 -0.15 5.56 3.52 -0.52 -0.59 118.95 130.29 3jrm s ARG 19 Ca 0.09 1.36 0.01 0.00 -0.13 0.00 0.00 55.73 57.06 3jrm s ARG 19 Cb 0.08 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 3jrm s ARG 19 CO 0.01 0.41 -0.16 0.08 -0.81 0.00 0.00 175.30 174.83 3jrm s VAL 20 N -0.70 1.69 0.14 7.11 1.01 0.48 -4.76 120.40 125.37 3jrm s VAL 20 Ca 0.41 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3jrm s VAL 20 Cb -0.24 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3jrm s VAL 20 CO 0.29 0.48 -0.23 0.42 0.00 0.00 0.00 175.10 176.06 3jrm s THR 21 N 1.36 2.50 -0.53 3.92 -4.23 -1.26 -1.89 115.64 115.51 3jrm s THR 21 Ca 0.03 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3jrm s THR 21 Cb -0.13 -2.14 0.14 0.00 1.34 0.00 0.00 72.50 71.71 3jrm s THR 21 CO -0.10 0.06 0.35 -0.32 -0.54 0.00 0.00 174.62 174.07 3jrm s MET 22 N -2.20 2.35 7.04 3.99 -2.45 -0.41 -4.92 119.30 122.71 3jrm s MET 22 Ca 0.17 -2.21 0.00 0.00 -1.25 0.00 0.00 55.69 52.39 3jrm s MET 22 Cb -0.10 -3.69 0.00 0.00 1.25 0.00 0.00 34.83 32.29 3jrm s MET 22 CO 0.08 -1.14 0.00 -1.91 1.05 0.00 0.00 175.02 173.11 3jrm n GLU 23 N 4.00 0.00 0.00 4.11 4.07 -1.26 -2.46 120.64 129.10 3jrm n GLU 23 Ca 0.03 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 3jrm n GLU 23 Cb 0.39 0.00 0.57 0.00 -0.06 0.00 0.00 31.44 32.35 3jrm n GLU 23 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3jrm n ASN 24 N 6.43 0.18 -4.55 4.31 0.23 -1.26 -4.82 115.26 115.78 3jrm n ASN 24 Ca 0.00 0.05 -0.43 0.00 -0.53 0.00 0.00 54.58 53.67 3jrm n ASN 24 Cb 0.00 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.41 3jrm n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3jrm s PHE 25 N -2.83 2.91 -0.80 -2.53 2.19 -1.03 -4.99 117.98 110.90 3jrm s PHE 25 Ca 0.19 0.29 -0.26 0.00 0.33 0.00 0.00 56.93 57.48 3jrm s PHE 25 Cb 0.19 -3.94 0.01 0.00 -1.31 0.00 0.00 43.02 37.96 3jrm s PHE 25 CO 0.54 -1.12 1.60 0.42 1.83 0.00 0.00 175.22 178.49 3jrm s ILE 26 N 3.72 3.61 0.05 3.12 1.01 -1.26 -1.29 121.20 130.16 3jrm s ILE 26 Ca 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 3jrm s ILE 26 Cb -0.11 -4.51 -0.28 0.00 0.01 0.00 0.00 42.46 37.57 3jrm s ILE 26 CO 0.25 -1.44 1.04 0.24 0.00 0.00 0.00 174.94 175.02 3jrm h MET 27 N 11.58 0.27 -3.58 2.79 2.86 -1.73 -3.45 114.93 123.66 3jrm h MET 27 Ca -0.10 -0.46 -0.34 0.00 -2.06 0.00 0.00 59.70 56.74 3jrm h MET 27 Cb 1.06 0.17 -0.35 0.00 0.06 0.00 0.00 31.60 32.54 3jrm h MET 27 CO 1.28 1.19 -0.74 -1.01 1.06 0.00 0.00 176.91 178.69 3jrm s HIS 28 N -2.64 0.20 -0.66 -0.22 3.76 -1.04 -5.03 115.29 109.66 3jrm s HIS 28 Ca -0.06 0.07 0.24 0.00 -0.15 0.00 0.00 55.06 55.17 3jrm s HIS 28 Cb 0.07 -0.39 0.32 0.00 1.11 0.00 0.00 32.58 33.68 3jrm s HIS 28 CO 0.88 -0.14 1.29 1.63 -0.85 0.00 0.00 174.74 177.54 3jrm n LYS 29 N 4.42 0.27 -3.14 1.40 5.02 -1.26 -0.39 118.16 124.48 3jrm n LYS 29 Ca -0.22 0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 55.93 3jrm n LYS 29 Cb 0.50 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 3jrm n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jrm n ASN 30 N -2.04 1.73 -4.90 4.39 3.02 -1.21 -4.19 115.26 112.06 3jrm n ASN 30 Ca 0.03 -3.16 -0.29 0.00 -0.03 0.00 0.00 54.58 51.13 3jrm n ASN 30 Cb 0.43 -0.61 0.08 0.00 -0.61 0.00 0.00 39.78 39.07 3jrm n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3jrm s GLY 31 N -2.60 1.60 -0.14 7.41 0.00 0.24 -5.04 107.32 108.79 3jrm s GLY 31 Ca 0.42 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 3jrm s GLY 31 CO -0.09 -0.14 -0.11 1.25 0.00 0.00 0.00 173.10 174.00 3jrm s LYS 32 N -5.52 3.43 0.00 2.90 2.20 -1.26 -4.55 119.74 116.94 3jrm s LYS 32 Ca 0.61 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 3jrm s LYS 32 Cb -0.11 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3jrm s LYS 32 CO 0.49 0.20 0.33 1.63 -0.36 0.00 0.00 175.35 177.65 3jrm n LYS 33 N 3.57 0.12 -4.66 4.03 5.02 -1.26 -4.98 118.16 120.00 3jrm n LYS 33 Ca -0.18 -0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 3jrm n LYS 33 Cb 0.53 -0.82 -0.17 0.00 -0.02 0.00 0.00 35.03 34.55 3jrm n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jrm s LEU 34 N -0.23 1.81 -0.00 -0.35 2.96 -1.26 -1.53 118.68 120.09 3jrm s LEU 34 Ca 0.00 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3jrm s LEU 34 Cb 0.00 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 3jrm s LEU 34 CO 0.00 0.05 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.71 3jrm s PHE 35 N 0.77 0.16 0.04 5.38 0.08 -0.37 -5.00 117.98 119.03 3jrm s PHE 35 Ca -0.11 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 3jrm s PHE 35 Cb -0.16 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.14 3jrm s PHE 35 CO 0.02 -0.01 0.99 -1.14 -0.10 0.00 0.00 175.22 174.98 3jrm s GLN 36 N -0.00 4.60 0.00 0.44 0.74 -1.26 -0.74 119.66 123.44 3jrm s GLN 36 Ca 0.00 1.45 0.00 0.00 0.05 0.00 0.00 55.36 56.87 3jrm s GLN 36 Cb -0.01 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3jrm s GLN 36 CO -0.00 0.02 0.28 0.44 -0.55 0.00 0.00 175.29 175.49 3jrm n ILE 37 N 3.52 0.00 -3.84 -2.34 -5.35 -0.22 -4.94 119.36 106.19 3jrm n ILE 37 Ca 0.05 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 61.99 3jrm n ILE 37 Cb 0.50 1.02 0.02 0.00 -1.74 0.00 0.00 39.64 39.45 3jrm n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3jrm s ASP 38 N -0.39 -0.01 0.15 7.28 -1.08 -1.04 -4.54 116.67 117.03 3jrm s ASP 38 Ca 0.00 -0.92 -0.17 0.00 -0.52 0.00 0.00 52.55 50.94 3jrm s ASP 38 Cb 0.00 0.69 0.04 0.00 -1.46 0.00 0.00 42.92 42.19 3jrm s ASP 38 CO 0.00 -1.37 1.76 0.74 0.52 0.00 0.00 175.17 176.81 3jrm h THR 39 N 2.00 0.92 -0.39 1.71 2.02 -1.98 -2.94 112.91 114.25 3jrm h THR 39 Ca -0.30 -0.10 -0.27 0.00 0.77 0.00 0.00 66.41 66.51 3jrm h THR 39 Cb 1.24 0.62 -0.20 0.00 -1.74 0.00 0.00 68.15 68.07 3jrm h THR 39 CO 0.38 0.05 -0.54 -1.22 0.37 0.00 0.00 175.52 174.56 3jrm n TYR 40 N -5.00 1.38 -4.20 3.16 4.01 -1.26 -3.12 117.16 112.13 3jrm n TYR 40 Ca 0.00 -1.87 -0.18 0.00 -0.16 0.00 0.00 57.90 55.70 3jrm n TYR 40 Cb 0.11 -0.36 -0.15 0.00 -0.31 0.00 0.00 39.34 38.63 3jrm n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3jrm s THR 41 N -3.87 0.51 0.19 -0.72 2.01 -1.11 -1.76 115.64 110.89 3jrm s THR 41 Ca 0.45 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.32 3jrm s THR 41 Cb 0.40 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 3jrm s THR 41 CO -0.01 0.17 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.11 3jrm s GLY 42 N 0.27 1.38 -0.01 4.40 0.00 0.53 -1.06 107.32 112.83 3jrm s GLY 42 Ca -0.03 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3jrm s GLY 42 CO -0.00 -1.70 -0.02 -0.29 0.00 0.00 0.00 173.10 171.09 3jrm s MET 43 N -3.51 0.28 0.09 2.90 1.75 0.08 -0.93 119.30 119.98 3jrm s MET 43 Ca 0.21 -0.06 0.06 0.00 -1.25 0.00 0.00 55.69 54.64 3jrm s MET 43 Cb -0.01 -0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.29 3jrm s MET 43 CO 0.06 0.01 -0.08 0.95 -0.65 0.00 0.00 175.02 175.32 3jrm s THR 44 N 0.24 3.53 -0.00 10.11 -4.23 -0.07 -1.24 115.64 123.97 3jrm s THR 44 Ca -0.02 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3jrm s THR 44 Cb -0.05 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 3jrm s THR 44 CO -0.01 0.15 -0.24 0.27 -0.54 0.00 0.00 174.62 174.25 3jrm s ILE 45 N -1.21 1.89 0.04 2.99 -4.36 -0.58 -2.30 121.20 117.67 3jrm s ILE 45 Ca 0.22 -1.08 -0.02 0.00 -0.26 0.00 0.00 60.65 59.50 3jrm s ILE 45 Cb -0.11 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3jrm s ILE 45 CO 0.14 0.48 0.02 0.00 0.24 0.00 0.00 174.94 175.82 3jrm s ALA 46 N -0.61 0.19 0.00 2.27 0.00 -0.87 -4.90 121.76 117.84 3jrm s ALA 46 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3jrm s ALA 46 Cb -0.09 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3jrm s ALA 46 CO -0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3jrm n GLY 47 N 0.74 -0.40 3.69 0.00 0.00 -1.26 -1.46 105.19 106.50 3jrm n GLY 47 Ca -0.18 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3jrm n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jrm s LEU 48 N 0.00 4.36 0.09 0.99 2.96 -0.03 -4.88 118.68 122.16 3jrm s LEU 48 Ca 0.00 2.43 -0.22 0.00 -0.22 0.00 0.00 54.13 56.12 3jrm s LEU 48 Cb 0.00 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 3jrm s LEU 48 CO 0.00 -0.88 1.70 0.58 -1.32 0.00 0.00 176.35 176.43 3jrm h VAL 49 N 4.90 1.06 -0.32 1.68 2.07 -1.92 -1.71 116.25 122.00 3jrm h VAL 49 Ca -0.42 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3jrm h VAL 49 Cb 1.20 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 3jrm h VAL 49 CO 0.93 0.05 -0.14 1.23 0.02 0.00 0.00 177.57 179.65 3jrm h GLY 50 N 0.02 0.12 0.89 2.17 0.00 -1.99 -0.11 103.07 104.17 3jrm h GLY 50 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3jrm h GLY 50 CO -0.00 -0.16 0.24 -0.55 0.00 0.00 0.00 176.54 176.06 3jrm h ASP 51 N -0.09 0.39 -0.38 0.19 3.32 -1.92 -2.04 116.42 115.89 3jrm h ASP 51 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3jrm h ASP 51 Cb 0.34 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3jrm h ASP 51 CO -0.38 0.28 0.24 0.00 -1.72 0.00 0.00 179.24 177.65 3jrm h ALA 52 N 1.19 0.48 -0.37 3.45 0.00 -0.74 -1.92 119.26 121.35 3jrm h ALA 52 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3jrm h ALA 52 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3jrm h ALA 52 CO -0.08 -0.04 0.11 1.96 0.00 0.00 0.00 179.25 181.21 3jrm h GLN 53 N 0.50 0.58 -0.41 0.00 4.20 -0.91 0.45 115.11 119.52 3jrm h GLN 53 Ca 0.14 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 58.80 3jrm h GLN 53 Cb -0.02 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.61 3jrm h GLN 53 CO -0.03 0.60 -0.01 0.28 -0.67 0.00 0.00 178.83 179.00 3jrm h VAL 54 N 0.46 0.68 -0.55 -0.54 2.07 -1.32 -1.66 116.25 115.39 3jrm h VAL 54 Ca 0.12 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3jrm h VAL 54 Cb 0.26 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3jrm h VAL 54 CO -0.00 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.75 3jrm h LEU 55 N 0.09 0.72 -0.38 2.57 3.38 -0.81 -1.33 115.31 119.55 3jrm h LEU 55 Ca 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3jrm h LEU 55 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3jrm h LEU 55 CO -0.35 0.65 0.23 0.58 0.09 0.00 0.00 178.44 179.64 3jrm h VAL 56 N 0.78 1.12 -0.34 1.22 2.07 -0.05 -1.35 116.25 119.70 3jrm h VAL 56 Ca 0.19 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3jrm h VAL 56 Cb 0.16 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3jrm h VAL 56 CO -0.02 0.12 0.19 0.03 0.02 0.00 0.00 177.57 177.92 3jrm h ARG 57 N 0.50 0.47 -0.47 1.57 3.08 -0.85 -1.46 114.38 117.21 3jrm h ARG 57 Ca 0.14 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3jrm h ARG 57 Cb -0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 3jrm h ARG 57 CO -0.03 0.37 0.21 1.88 -1.07 0.00 0.00 179.97 181.34 3jrm h TYR 58 N 0.43 0.37 -0.55 3.04 0.99 -1.06 -1.22 116.97 118.98 3jrm h TYR 58 Ca 0.12 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.79 3jrm h TYR 58 Cb 0.04 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.65 3jrm h TYR 58 CO -0.03 0.17 0.02 0.52 -0.00 0.00 0.00 178.16 178.83 3jrm h MET 59 N 0.41 0.97 -0.20 4.88 2.86 -0.97 0.40 114.93 123.28 3jrm h MET 59 Ca 0.21 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3jrm h MET 59 Cb 0.17 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3jrm h MET 59 CO -0.18 0.96 -0.11 0.87 1.06 0.00 0.00 176.91 179.52 3jrm h LYS 60 N 0.85 -0.09 -0.01 1.72 1.57 -0.99 -0.55 116.57 119.08 3jrm h LYS 60 Ca 0.16 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3jrm h LYS 60 Cb 0.52 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3jrm h LYS 60 CO 0.03 -0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 3jrm h ALA 61 N 1.08 0.01 -0.33 3.86 0.00 -0.82 -1.45 119.26 121.60 3jrm h ALA 61 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 61 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jrm h ALA 61 CO -0.26 -0.45 -0.23 1.49 0.00 0.00 0.00 179.25 179.80 3jrm h GLU 62 N -0.07 0.64 0.07 0.00 4.22 -0.04 -1.59 114.58 117.82 3jrm h GLU 62 Ca 0.00 -0.25 -0.25 0.00 0.08 0.00 0.00 59.36 58.95 3jrm h GLU 62 Cb 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3jrm h GLU 62 CO -0.00 0.82 -1.10 -0.07 -2.18 0.00 0.00 179.01 176.48 3jrm h LEU 63 N 0.57 0.40 -0.46 1.64 3.38 -1.04 -1.36 115.31 118.43 3jrm h LEU 63 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3jrm h LEU 63 Cb 0.70 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3jrm h LEU 63 CO 0.05 1.25 0.25 -0.08 0.09 0.00 0.00 178.44 180.00 3jrm h GLU 64 N 0.11 0.65 0.10 1.13 4.81 -1.13 -1.96 114.58 118.29 3jrm h GLU 64 Ca -0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3jrm h GLU 64 Cb 1.79 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.05 3jrm h GLU 64 CO 0.18 0.52 -0.05 1.25 -0.73 0.00 0.00 179.01 180.18 3jrm h LEU 65 N 0.61 -0.12 -0.66 1.64 5.85 -1.24 -2.62 115.31 118.77 3jrm h LEU 65 Ca 0.16 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3jrm h LEU 65 Cb 0.06 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3jrm h LEU 65 CO -0.03 -0.02 0.25 0.22 -0.34 0.00 0.00 178.44 178.52 3jrm h TYR 66 N -0.20 0.43 -0.69 1.25 5.03 -1.16 -1.31 116.97 120.33 3jrm h TYR 66 Ca -0.01 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 3jrm h TYR 66 Cb 0.16 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 3jrm h TYR 66 CO -0.05 0.09 0.25 -0.09 -1.32 0.00 0.00 178.16 177.04 3jrm h ARG 67 N 0.42 1.04 -0.56 1.82 2.43 -1.17 0.27 114.38 118.63 3jrm h ARG 67 Ca 0.35 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3jrm h ARG 67 Cb 0.46 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3jrm h ARG 67 CO -0.34 0.88 0.02 -0.07 -1.51 0.00 0.00 179.97 178.95 3jrm h LEU 68 N 0.99 0.95 -0.44 3.80 3.38 -1.06 0.43 115.31 123.35 3jrm h LEU 68 Ca 0.23 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3jrm h LEU 68 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3jrm h LEU 68 CO -0.01 1.01 -0.66 1.56 0.09 0.00 0.00 178.44 180.43 3jrm h GLN 69 N 0.86 0.48 0.00 1.13 4.20 -0.71 -3.32 115.11 117.75 3jrm h GLN 69 Ca 0.16 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3jrm h GLN 69 Cb 0.51 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3jrm h GLN 69 CO 0.02 0.98 -2.00 0.54 -0.67 0.00 0.00 178.83 177.70 3jrm n ARG 70 N -3.90 0.65 -1.08 1.46 3.00 0.89 -4.98 116.66 112.70 3jrm n ARG 70 Ca -0.04 -0.19 -0.03 0.00 -0.01 0.00 0.00 57.85 57.58 3jrm n ARG 70 Cb 0.66 -1.51 -0.01 0.00 0.00 0.00 0.00 32.46 31.60 3jrm n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3jrm n ARG 71 N -2.27 -1.48 -4.20 5.56 1.74 0.15 -4.98 116.66 111.18 3jrm n ARG 71 Ca -0.05 0.51 -0.15 0.00 -0.77 0.00 0.00 57.85 57.38 3jrm n ARG 71 Cb 0.59 -4.68 -0.11 0.00 -1.02 0.00 0.00 32.46 27.24 3jrm n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3jrm s VAL 72 N -1.47 1.05 0.50 1.55 -7.23 -1.24 -5.03 120.40 108.54 3jrm s VAL 72 Ca 0.00 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 3jrm s VAL 72 Cb 0.00 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 3jrm s VAL 72 CO 0.00 -0.53 1.18 0.20 -0.31 0.00 0.00 175.10 175.65 3jrm s ASN 73 N -2.47 5.86 0.20 4.85 -0.87 -1.26 -4.20 114.94 117.06 3jrm s ASN 73 Ca 0.07 2.34 -0.32 0.00 -1.57 0.00 0.00 52.86 53.38 3jrm s ASN 73 Cb -0.03 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.48 3jrm s ASN 73 CO 0.01 -1.13 1.70 -0.32 -2.57 0.00 0.00 177.10 174.78 3jrm s MET 74 N -2.91 4.14 0.47 -0.60 -2.45 -1.26 -4.95 119.30 111.74 3jrm s MET 74 Ca 0.68 2.57 -0.22 0.00 -1.25 0.00 0.00 55.69 57.47 3jrm s MET 74 Cb -0.29 -3.08 -0.09 0.00 1.25 0.00 0.00 34.83 32.61 3jrm s MET 74 CO 0.34 -0.73 0.96 -2.30 1.05 0.00 0.00 175.02 174.34 3jrm n PRO 75 N 3.93 1.18 -0.24 4.11 -0.02 -1.26 -4.83 135.00 137.87 3jrm n PRO 75 Ca 0.15 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3jrm n PRO 75 Cb 0.36 -2.04 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3jrm n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3jrm h ILE 76 N 1.20 1.23 0.00 4.25 1.08 -1.92 -0.53 117.51 122.82 3jrm h ILE 76 Ca -0.45 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3jrm h ILE 76 Cb 1.35 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 35.52 3jrm h ILE 76 CO 0.55 0.27 -0.00 -0.08 -0.69 0.00 0.00 178.15 178.19 3jrm h GLU 77 N 0.93 0.00 -0.29 2.37 4.81 -1.99 -1.72 114.58 118.70 3jrm h GLU 77 Ca 0.23 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 3jrm h GLU 77 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3jrm h GLU 77 CO -0.03 0.00 -0.43 0.00 -0.73 0.00 0.00 179.01 177.82 3jrm h ALA 78 N 2.00 0.70 -0.29 2.92 0.00 -1.48 -1.39 119.26 121.72 3jrm h ALA 78 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3jrm h ALA 78 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 78 CO 0.00 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.30 3jrm h VAL 79 N 0.59 1.19 -0.73 0.00 2.07 -0.54 0.12 116.25 118.94 3jrm h VAL 79 Ca 0.04 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3jrm h VAL 79 Cb 0.98 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3jrm h VAL 79 CO 0.09 0.20 0.33 0.00 0.02 0.00 0.00 177.57 178.21 3jrm h ALA 80 N 0.94 1.21 -0.40 1.67 0.00 -1.34 -1.39 119.26 119.94 3jrm h ALA 80 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3jrm h ALA 80 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jrm h ALA 80 CO -0.01 0.59 -0.26 1.15 0.00 0.00 0.00 179.25 180.73 3jrm h THR 81 N 1.04 1.27 -0.02 0.00 2.02 -0.86 0.77 112.91 117.13 3jrm h THR 81 Ca 0.25 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 3jrm h THR 81 Cb 0.14 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3jrm h THR 81 CO -0.03 0.47 0.01 0.25 0.37 0.00 0.00 175.52 176.59 3jrm h LEU 82 N 0.72 0.02 -0.82 2.58 5.85 -0.49 -1.49 115.31 121.68 3jrm h LEU 82 Ca 0.09 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3jrm h LEU 82 Cb 0.80 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3jrm h LEU 82 CO 0.07 0.12 0.51 -0.07 -0.34 0.00 0.00 178.44 178.72 3jrm h LEU 83 N -0.07 0.98 -0.12 2.25 3.38 -1.12 -1.56 115.31 119.04 3jrm h LEU 83 Ca 0.01 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3jrm h LEU 83 Cb 0.10 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3jrm h LEU 83 CO -0.00 0.75 -0.38 -1.28 0.09 0.00 0.00 178.44 177.61 3jrm h SER 84 N 1.13 -1.19 -0.53 -0.43 0.87 -0.69 -1.34 113.55 111.36 3jrm h SER 84 Ca 0.30 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 61.04 3jrm h SER 84 Cb -0.06 0.49 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3jrm h SER 84 CO -0.06 -0.40 0.33 0.78 -0.53 0.00 0.00 176.83 176.95 3jrm h ASN 85 N -0.46 0.55 -0.34 6.23 2.35 -0.94 -2.02 115.58 120.95 3jrm h ASN 85 Ca 0.08 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3jrm h ASN 85 Cb 0.60 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3jrm h ASN 85 CO -0.38 0.39 0.15 0.24 -1.65 0.00 0.00 177.43 176.18 3jrm h MET 86 N 0.66 0.50 -0.15 0.81 2.86 -0.96 -0.87 114.93 117.78 3jrm h MET 86 Ca 0.20 -0.08 -0.20 0.00 -2.06 0.00 0.00 59.70 57.56 3jrm h MET 86 Cb -0.02 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3jrm h MET 86 CO -0.07 0.48 -0.71 -0.07 1.06 0.00 0.00 176.91 177.60 3jrm h LEU 87 N 0.41 0.78 -0.62 1.22 4.07 -1.21 -3.09 115.31 116.87 3jrm h LEU 87 Ca 0.11 -0.49 -0.15 0.00 0.08 0.00 0.00 57.88 57.44 3jrm h LEU 87 Cb 0.15 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3jrm h LEU 87 CO -0.01 1.26 -0.52 -1.13 -1.08 0.00 0.00 178.44 176.95 3jrm h ASN 88 N 0.47 0.49 -0.86 -0.43 -0.73 -1.32 -2.76 115.58 110.44 3jrm h ASN 88 Ca -0.03 -0.25 0.15 0.00 1.87 0.00 0.00 56.30 58.04 3jrm h ASN 88 Cb 1.31 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.69 3jrm h ASN 88 CO 0.14 0.93 0.56 1.56 -0.37 0.00 0.00 177.43 180.24 3jrm h GLN 89 N 0.35 0.56 -0.72 6.67 4.20 -1.07 -2.43 115.11 122.66 3jrm h GLN 89 Ca 0.01 -0.03 -0.49 0.00 0.06 0.00 0.00 58.65 58.19 3jrm h GLN 89 Cb 1.04 -0.13 -0.31 0.00 0.30 0.00 0.00 27.48 28.38 3jrm h GLN 89 CO 0.09 0.37 -0.18 1.33 -0.67 0.00 0.00 178.83 179.77 3jrm n VAL 90 N -4.53 2.83 0.04 -0.54 0.24 -1.07 -4.81 118.33 110.49 3jrm n VAL 90 Ca 0.17 -3.51 0.04 0.00 -2.04 0.00 0.00 64.34 59.00 3jrm n VAL 90 Cb 0.52 -0.94 0.44 0.00 -1.47 0.00 0.00 33.84 32.39 3jrm n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3jrm h LYS 91 N 1.83 0.46 0.00 7.34 2.10 -1.18 -1.40 116.57 125.73 3jrm h LYS 91 Ca 0.40 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3jrm h LYS 91 Cb 1.38 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3jrm h LYS 91 CO 0.89 0.33 -0.21 0.66 -2.00 0.00 0.00 179.45 179.11 3jrm n TYR 92 N -4.46 0.14 -3.13 0.07 4.02 -1.26 -3.70 117.16 108.84 3jrm n TYR 92 Ca 0.02 0.04 -0.21 0.00 -0.01 0.00 0.00 57.90 57.75 3jrm n TYR 92 Cb 0.08 -0.48 -0.03 0.00 -0.02 0.00 0.00 39.34 38.89 3jrm n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3jrm n MET 93 N -1.63 1.54 -1.56 -0.72 2.81 -0.61 -5.13 117.12 111.81 3jrm n MET 93 Ca 0.06 -3.76 -0.31 0.00 -1.81 0.00 0.00 57.70 51.89 3jrm n MET 93 Cb 0.36 -1.83 0.05 0.00 -0.71 0.00 0.00 33.22 31.09 3jrm n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3jrm s PRO 94 N -2.64 2.87 -0.33 0.03 0.04 -0.69 -4.91 135.00 129.37 3jrm s PRO 94 Ca 0.42 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3jrm s PRO 94 Cb 0.32 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.88 3jrm s PRO 94 CO -0.09 -1.14 1.44 0.71 0.04 0.00 0.00 177.00 177.96 3jrm s TYR 95 N -3.05 2.39 -1.37 0.56 1.51 -1.26 -4.94 117.35 111.19 3jrm s TYR 95 Ca 0.58 0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 57.23 3jrm s TYR 95 Cb -0.14 -4.10 0.09 0.00 -0.11 0.00 0.00 41.96 37.70 3jrm s TYR 95 CO 0.55 -2.15 2.03 -1.33 -1.11 0.00 0.00 175.55 173.54 3jrm n MET 96 N 7.76 3.16 -4.16 -0.62 2.81 -1.26 -4.61 117.12 120.20 3jrm n MET 96 Ca 0.17 -3.03 -0.10 0.00 -1.81 0.00 0.00 57.70 52.93 3jrm n MET 96 Cb 0.47 -3.18 -0.10 0.00 -0.71 0.00 0.00 33.22 29.70 3jrm n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3jrm s VAL 97 N 2.31 0.44 -0.11 2.03 -7.23 -1.26 -0.85 120.40 115.73 3jrm s VAL 97 Ca 0.45 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 3jrm s VAL 97 Cb 0.11 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.22 3jrm s VAL 97 CO -0.04 -0.71 -0.20 -1.10 -0.31 0.00 0.00 175.10 172.73 3jrm s GLN 98 N -3.92 2.71 -0.04 4.82 -0.21 -0.53 -2.88 119.66 119.61 3jrm s GLN 98 Ca 0.16 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.86 3jrm s GLN 98 Cb 0.07 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 3jrm s GLN 98 CO -0.02 0.07 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.47 3jrm s LEU 99 N 0.62 2.19 -0.13 2.90 1.43 0.16 -2.05 118.68 123.80 3jrm s LEU 99 Ca -0.13 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3jrm s LEU 99 Cb -0.16 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3jrm s LEU 99 CO 0.04 0.30 -0.03 -0.76 0.23 0.00 0.00 176.35 176.13 3jrm s LEU 100 N -0.48 3.35 -0.16 1.79 1.43 -0.97 -0.55 118.68 123.10 3jrm s LEU 100 Ca 0.06 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3jrm s LEU 100 Cb -0.11 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3jrm s LEU 100 CO 0.01 0.25 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 3jrm s VAL 101 N -0.14 1.93 0.04 -1.59 1.01 -0.32 -0.89 120.40 120.44 3jrm s VAL 101 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3jrm s VAL 101 Cb -0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3jrm s VAL 101 CO 0.02 0.52 -0.14 -0.83 0.00 0.00 0.00 175.10 174.67 3jrm s GLY 102 N 1.21 0.78 -0.06 4.51 0.00 -0.10 -0.51 107.32 113.16 3jrm s GLY 102 Ca 0.02 -0.82 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 3jrm s GLY 102 CO -0.10 -0.79 1.20 0.61 0.00 0.00 0.00 173.10 174.02 3jrm n GLY 103 N 1.93 0.17 3.24 0.20 0.00 -0.69 -0.34 105.19 109.69 3jrm n GLY 103 Ca -0.18 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 3jrm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 104 N -2.01 2.41 0.00 -0.61 -1.09 -0.72 -1.16 121.20 118.02 3jrm s ILE 104 Ca 0.28 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3jrm s ILE 104 Cb -0.00 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 3jrm s ILE 104 CO -0.02 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.33 3jrm n ASP 105 N 3.92 0.00 0.06 3.58 5.68 -1.26 -4.80 116.55 123.73 3jrm n ASP 105 Ca -0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.21 3jrm n ASP 105 Cb 0.52 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.96 3jrm n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3jrm n THR 106 N 0.00 0.57 -3.80 2.12 -2.24 -1.26 -4.87 114.28 104.81 3jrm n THR 106 Ca 0.00 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3jrm n THR 106 Cb 0.00 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 3jrm n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jrm s ALA 107 N -3.10 -0.80 0.56 6.98 0.00 -1.26 -5.16 121.76 118.99 3jrm s ALA 107 Ca 0.09 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 3jrm s ALA 107 Cb 0.13 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 3jrm s ALA 107 CO 0.46 -0.82 1.05 -2.14 0.00 0.00 0.00 175.76 174.31 3jrm s PRO 108 N -3.90 3.50 -0.10 0.00 0.02 -1.26 -4.40 135.00 128.86 3jrm s PRO 108 Ca 0.12 1.24 -0.18 0.00 0.02 0.00 0.00 61.00 62.19 3jrm s PRO 108 Cb -0.01 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.49 3jrm s PRO 108 CO -0.00 -0.67 0.44 -1.01 -0.33 0.00 0.00 177.00 175.43 3jrm s HIS 109 N -2.32 -0.41 -0.04 6.54 3.76 -0.31 -4.95 115.29 117.55 3jrm s HIS 109 Ca 0.64 0.88 0.02 0.00 -0.15 0.00 0.00 55.06 56.45 3jrm s HIS 109 Cb -0.16 0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.72 3jrm s HIS 109 CO 0.31 -0.35 -0.10 0.08 -0.85 0.00 0.00 174.74 173.83 3jrm s VAL 110 N -0.54 0.91 0.03 -0.90 1.01 -1.26 -1.70 120.40 117.96 3jrm s VAL 110 Ca -0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3jrm s VAL 110 Cb -0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3jrm s VAL 110 CO 0.03 0.29 -0.18 -0.36 0.00 0.00 0.00 175.10 174.88 3jrm s PHE 111 N 0.45 1.62 -0.17 5.22 0.40 0.33 -2.12 117.98 123.72 3jrm s PHE 111 Ca -0.08 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3jrm s PHE 111 Cb -0.12 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.43 3jrm s PHE 111 CO 0.02 0.05 -0.15 0.45 0.70 0.00 0.00 175.22 176.29 3jrm s SER 112 N -1.01 3.61 -0.05 1.36 0.15 -0.57 -1.18 113.70 116.01 3jrm s SER 112 Ca 0.06 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.26 3jrm s SER 112 Cb -0.08 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 3jrm s SER 112 CO 0.01 0.04 -0.23 -0.63 1.20 0.00 0.00 173.24 173.63 3jrm s ILE 113 N 1.07 2.27 0.57 6.45 1.09 0.29 -1.86 121.20 131.08 3jrm s ILE 113 Ca -0.00 -1.00 0.08 0.00 -1.10 0.00 0.00 60.65 58.62 3jrm s ILE 113 Cb -0.14 -1.83 0.07 0.00 -1.06 0.00 0.00 42.46 39.50 3jrm s ILE 113 CO -0.04 0.57 0.64 1.51 -0.10 0.00 0.00 174.94 177.52 3jrm s ASP 114 N -0.36 4.85 0.16 3.58 1.47 -0.21 -0.67 116.67 125.50 3jrm s ASP 114 Ca 0.02 -1.07 0.21 0.00 1.18 0.00 0.00 52.55 52.89 3jrm s ASP 114 Cb -0.12 0.45 0.86 0.00 -0.34 0.00 0.00 42.92 43.76 3jrm s ASP 114 CO 0.02 -1.29 1.63 0.00 0.68 0.00 0.00 175.17 176.21 3jrm n ALA 115 N -2.07 1.70 -0.25 2.11 0.00 -1.14 -1.79 120.51 119.07 3jrm n ALA 115 Ca 0.08 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3jrm n ALA 115 Cb 0.63 -1.34 0.28 0.00 0.00 0.00 0.00 19.45 19.02 3jrm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jrm n ALA 116 N -1.68 2.35 -0.64 0.00 0.00 -1.26 -4.51 120.51 114.77 3jrm n ALA 116 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3jrm n ALA 116 Cb 0.22 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3jrm n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrm n GLY 117 N 1.45 0.78 3.68 0.00 0.00 -0.74 -3.90 105.19 106.46 3jrm n GLY 117 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3jrm n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jrm s GLY 118 N -1.75 1.69 -0.11 -0.02 0.00 -1.26 -4.45 107.32 101.43 3jrm s GLY 118 Ca 0.00 1.00 0.02 0.00 0.00 0.00 0.00 44.72 45.74 3jrm s GLY 118 CO 0.00 2.73 -0.16 -0.45 0.00 0.00 0.00 173.10 175.22 3jrm s SER 119 N 2.28 2.48 -0.03 1.64 0.15 -1.26 -1.05 113.70 117.91 3jrm s SER 119 Ca 0.69 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.93 3jrm s SER 119 Cb -0.35 -1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 3jrm s SER 119 CO 0.29 0.03 -0.12 -0.69 1.20 0.00 0.00 173.24 173.94 3jrm s VAL 120 N 0.91 1.04 0.33 4.45 1.01 -0.78 -4.97 120.40 122.40 3jrm s VAL 120 Ca -0.08 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 3jrm s VAL 120 Cb -0.15 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 3jrm s VAL 120 CO -0.01 0.31 0.74 -0.70 0.00 0.00 0.00 175.10 175.45 3jrm s GLU 121 N 0.09 3.98 0.15 2.72 2.12 -1.26 -1.51 118.70 124.98 3jrm s GLU 121 Ca -0.03 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 55.72 3jrm s GLU 121 Cb -0.09 -2.42 0.07 0.00 0.26 0.00 0.00 34.13 31.95 3jrm s GLU 121 CO 0.01 0.13 0.64 0.34 -0.54 0.00 0.00 175.26 175.84 3jrm s ASP 122 N -2.38 -0.53 0.28 -1.70 -1.08 -0.90 -4.98 116.67 105.38 3jrm s ASP 122 Ca 0.54 -0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.67 3jrm s ASP 122 Cb -0.10 0.58 0.33 0.00 -1.46 0.00 0.00 42.92 42.27 3jrm s ASP 122 CO 0.19 -0.95 1.58 0.16 0.52 0.00 0.00 175.17 176.67 3jrm h ILE 123 N 2.00 1.27 -3.68 4.11 3.07 -1.95 -3.35 117.51 118.98 3jrm h ILE 123 Ca -0.32 -2.17 -0.08 0.00 1.55 0.00 0.00 64.86 63.84 3jrm h ILE 123 Cb 1.30 2.23 -0.13 0.00 -0.27 0.00 0.00 36.82 39.95 3jrm h ILE 123 CO 0.36 0.59 -0.24 -0.72 -1.05 0.00 0.00 178.15 177.09 3jrm s TYR 124 N -3.40 0.12 -0.06 0.16 -0.85 -1.26 -1.51 117.35 110.55 3jrm s TYR 124 Ca -0.00 -0.50 -0.31 0.00 -0.52 0.00 0.00 57.07 55.74 3jrm s TYR 124 Cb 0.11 0.07 0.07 0.00 0.38 0.00 0.00 41.96 42.59 3jrm s TYR 124 CO 0.75 -0.69 0.70 0.00 -1.52 0.00 0.00 175.55 174.79 3jrm s ALA 125 N -3.89 -1.78 0.04 9.51 0.00 -0.52 -5.02 121.76 120.10 3jrm s ALA 125 Ca 0.09 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3jrm s ALA 125 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3jrm s ALA 125 CO -0.06 -0.37 -0.06 0.45 0.00 0.00 0.00 175.76 175.72 3jrm s SER 126 N -1.13 0.68 0.08 0.00 0.15 -1.26 -0.81 113.70 111.41 3jrm s SER 126 Ca -0.10 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.00 3jrm s SER 126 Cb -0.00 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 3jrm s SER 126 CO 0.09 -0.24 -0.06 0.42 1.20 0.00 0.00 173.24 174.66 3jrm s THR 127 N -1.49 0.55 0.00 6.45 -4.23 -0.19 -4.91 115.64 111.83 3jrm s THR 127 Ca -0.11 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3jrm s THR 127 Cb -0.09 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.11 3jrm s THR 127 CO -0.00 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.78 3jrm n GLY 128 N 0.01 0.59 0.30 3.99 0.00 -1.26 -1.04 105.19 107.77 3jrm n GLY 128 Ca -0.13 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.04 3jrm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 129 N 0.00 0.00 -0.01 1.61 4.64 -1.46 -0.95 113.55 117.39 3jrm h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jrm h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jrm h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3jrm n GLY 130 N -1.56 -0.38 0.28 -0.77 0.00 -0.37 -4.38 105.19 98.00 3jrm n GLY 130 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3jrm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 131 N 1.46 0.50 -0.18 1.61 4.64 -1.35 -2.16 113.55 118.06 3jrm h SER 131 Ca 0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 3jrm h SER 131 Cb 0.31 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3jrm h SER 131 CO 0.00 0.55 0.05 -0.65 -0.87 0.00 0.00 176.83 175.91 3jrm h PRO 132 N 0.52 0.37 -0.38 4.77 0.11 -1.80 0.25 132.00 135.84 3jrm h PRO 132 Ca 0.11 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 3jrm h PRO 132 Cb 0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3jrm h PRO 132 CO 0.01 0.36 -0.36 0.74 -0.21 0.00 0.00 178.00 178.54 3jrm h PHE 133 N 0.37 1.06 -0.47 0.65 0.04 -1.72 -2.35 116.94 114.52 3jrm h PHE 133 Ca 0.09 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.55 3jrm h PHE 133 Cb 0.17 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3jrm h PHE 133 CO 0.00 1.11 0.30 0.28 -0.60 0.00 0.00 178.31 179.40 3jrm h VAL 134 N 0.74 1.14 -0.29 -0.55 2.07 -1.10 -2.48 116.25 115.78 3jrm h VAL 134 Ca 0.07 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3jrm h VAL 134 Cb 0.94 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3jrm h VAL 134 CO 0.09 0.14 0.18 1.88 0.02 0.00 0.00 177.57 179.88 3jrm h TYR 135 N 0.64 0.37 0.95 1.57 0.05 -0.71 0.82 116.97 120.67 3jrm h TYR 135 Ca 0.17 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3jrm h TYR 135 Cb -0.03 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 37.59 3jrm h TYR 135 CO -0.03 0.24 -0.46 0.78 -1.05 0.00 0.00 178.16 177.64 3jrm h GLY 136 N 0.41 -1.34 0.46 3.88 0.00 -1.00 -0.79 103.07 104.70 3jrm h GLY 136 Ca 0.11 0.50 0.07 0.00 0.00 0.00 0.00 47.33 48.00 3jrm h GLY 136 CO -0.02 -0.49 0.11 -2.08 0.00 0.00 0.00 176.54 174.06 3jrm h VAL 137 N -1.30 0.77 -0.54 4.60 2.07 -0.97 -2.46 116.25 118.43 3jrm h VAL 137 Ca -0.13 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3jrm h VAL 137 Cb 0.98 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3jrm h VAL 137 CO 0.22 0.05 0.14 -0.07 0.02 0.00 0.00 177.57 177.92 3jrm h LEU 138 N 0.25 0.81 -0.97 2.57 3.38 -0.83 -0.43 115.31 120.11 3jrm h LEU 138 Ca 0.23 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3jrm h LEU 138 Cb 0.28 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3jrm h LEU 138 CO -0.28 0.83 0.62 -0.33 0.09 0.00 0.00 178.44 179.37 3jrm h GLU 139 N 0.76 1.09 0.03 1.13 4.39 -0.77 -0.88 114.58 120.33 3jrm h GLU 139 Ca 0.17 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 3jrm h GLU 139 Cb 0.32 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3jrm h GLU 139 CO -0.00 0.72 -1.04 1.03 -1.16 0.00 0.00 179.01 178.56 3jrm h SER 140 N 1.12 0.66 0.00 1.42 0.87 -1.06 -3.41 113.55 113.15 3jrm h SER 140 Ca 0.42 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3jrm h SER 140 Cb 0.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3jrm h SER 140 CO -0.18 1.36 -0.34 0.00 -0.53 0.00 0.00 176.83 177.14 3jrm n GLN 141 N -3.76 4.79 -2.67 2.24 6.02 -0.20 -5.03 117.38 118.77 3jrm n GLN 141 Ca -0.09 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 3jrm n GLN 141 Cb 0.88 -0.70 -0.04 0.00 1.02 0.00 0.00 30.24 31.41 3jrm n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3jrm s TYR 142 N -1.41 3.69 0.00 1.08 5.04 -0.36 -5.03 117.35 120.37 3jrm s TYR 142 Ca 0.00 1.69 0.08 0.00 -2.44 0.00 0.00 57.07 56.40 3jrm s TYR 142 Cb 0.01 -3.14 -0.02 0.00 0.35 0.00 0.00 41.96 39.16 3jrm s TYR 142 CO 0.08 -0.11 -0.24 0.45 -1.34 0.00 0.00 175.55 174.39 3jrm s SER 143 N 0.48 2.78 0.54 4.32 0.15 -1.26 -4.98 113.70 115.73 3jrm s SER 143 Ca 0.50 -0.47 0.21 0.00 0.70 0.00 0.00 55.95 56.89 3jrm s SER 143 Cb -0.24 -0.29 1.42 0.00 -1.71 0.00 0.00 66.02 65.21 3jrm s SER 143 CO 0.30 0.26 2.15 -0.33 1.20 0.00 0.00 173.24 176.82 3jrm h GLU 144 N 5.30 0.00 -0.13 5.44 5.08 -1.96 -2.69 114.58 125.62 3jrm h GLU 144 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3jrm h GLU 144 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3jrm h GLU 144 CO 0.46 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.10 3jrm n LYS 145 N -4.34 1.45 -2.03 2.33 5.02 -1.26 -4.31 118.16 115.01 3jrm n LYS 145 Ca -0.01 -0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 55.23 3jrm n LYS 145 Cb 0.16 -1.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3jrm n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3jrm s MET 146 N -1.84 3.12 0.62 1.97 -1.94 -1.02 -5.03 119.30 115.19 3jrm s MET 146 Ca 0.26 1.86 -0.09 0.00 -1.71 0.00 0.00 55.69 56.02 3jrm s MET 146 Cb 0.13 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.93 3jrm s MET 146 CO 0.21 -1.09 0.97 0.95 -0.01 0.00 0.00 175.02 176.05 3jrm s THR 147 N -1.56 4.05 0.26 2.05 -4.23 -1.26 -4.69 115.64 110.26 3jrm s THR 147 Ca 0.75 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.62 3jrm s THR 147 Cb -0.31 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.14 3jrm s THR 147 CO 0.35 -0.74 1.81 0.58 -0.54 0.00 0.00 174.62 176.08 3jrm h VAL 148 N -0.29 0.88 -0.66 2.29 2.07 -1.99 0.09 116.25 118.64 3jrm h VAL 148 Ca -0.45 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3jrm h VAL 148 Cb 1.23 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3jrm h VAL 148 CO 0.62 0.15 0.17 0.44 0.02 0.00 0.00 177.57 178.97 3jrm h ASP 149 N 0.81 0.97 -0.45 0.57 3.32 -2.00 -0.06 116.42 119.59 3jrm h ASP 149 Ca 0.43 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3jrm h ASP 149 Cb 0.43 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3jrm h ASP 149 CO -0.27 0.93 0.08 -0.33 -1.72 0.00 0.00 179.24 177.94 3jrm h GLU 150 N 0.99 0.74 -0.11 3.56 5.08 -1.75 -2.50 114.58 120.58 3jrm h GLU 150 Ca 0.21 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3jrm h GLU 150 Cb 0.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3jrm h GLU 150 CO -0.00 0.75 -0.04 0.78 -1.00 0.00 0.00 179.01 179.50 3jrm h GLY 151 N 0.60 0.06 0.63 -3.84 0.00 -0.50 0.86 103.07 100.89 3jrm h GLY 151 Ca 0.14 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.59 3jrm h GLY 151 CO 0.01 -0.06 0.44 -2.08 0.00 0.00 0.00 176.54 174.85 3jrm h VAL 152 N -0.03 0.96 -0.71 4.60 2.07 -0.99 -0.57 116.25 121.60 3jrm h VAL 152 Ca 0.06 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3jrm h VAL 152 Cb 0.12 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3jrm h VAL 152 CO -0.13 0.14 0.26 0.44 0.02 0.00 0.00 177.57 178.30 3jrm h ASP 153 N 0.79 0.99 -0.24 0.57 3.32 -0.97 -2.08 116.42 118.80 3jrm h ASP 153 Ca 0.35 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3jrm h ASP 153 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3jrm h ASP 153 CO -0.20 0.91 0.15 0.25 -1.72 0.00 0.00 179.24 178.62 3jrm h LEU 154 N 1.02 0.29 -0.88 1.55 5.85 0.64 -1.48 115.31 122.29 3jrm h LEU 154 Ca 0.23 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3jrm h LEU 154 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3jrm h LEU 154 CO -0.01 0.25 -0.27 -0.37 -0.34 0.00 0.00 178.44 177.70 3jrm h VAL 155 N 0.30 1.27 -0.84 1.05 -1.51 -1.10 -0.66 116.25 114.76 3jrm h VAL 155 Ca 0.09 -1.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.21 3jrm h VAL 155 Cb 0.02 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 30.51 3jrm h VAL 155 CO -0.02 0.42 0.45 0.40 -1.23 0.00 0.00 177.57 177.59 3jrm h ILE 156 N 0.44 1.25 0.06 7.19 2.04 -1.10 -0.14 117.51 127.25 3jrm h ILE 156 Ca 0.06 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3jrm h ILE 156 Cb 0.71 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3jrm h ILE 156 CO 0.05 0.28 -0.03 0.03 0.00 0.00 0.00 178.15 178.49 3jrm h ARG 157 N 1.17 -0.07 -0.23 2.37 3.08 -0.67 -0.99 114.38 119.04 3jrm h ARG 157 Ca 0.29 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.41 3jrm h ARG 157 Cb 0.05 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3jrm h ARG 157 CO -0.04 0.18 -0.17 0.00 -1.07 0.00 0.00 179.97 178.87 3jrm h ALA 158 N 0.61 -0.01 -0.12 0.04 0.00 -0.93 0.24 119.26 119.08 3jrm h ALA 158 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 158 Cb 0.28 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3jrm h ALA 158 CO 0.01 -0.59 -0.30 0.82 0.00 0.00 0.00 179.25 179.20 3jrm h ILE 159 N -0.16 1.26 -0.61 0.00 2.04 -1.00 -1.36 117.51 117.68 3jrm h ILE 159 Ca 0.13 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.67 3jrm h ILE 159 Cb 0.36 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3jrm h ILE 159 CO -0.33 0.37 -0.00 0.28 0.00 0.00 0.00 178.15 178.47 3jrm h SER 160 N 0.20 1.05 -0.15 1.72 0.02 -0.50 0.30 113.55 116.19 3jrm h SER 160 Ca 0.03 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3jrm h SER 160 Cb 0.63 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3jrm h SER 160 CO 0.05 1.10 0.07 0.00 -1.14 0.00 0.00 176.83 176.91 3jrm h ALA 161 N 1.00 0.20 -0.64 3.77 0.00 -0.59 -2.29 119.26 120.71 3jrm h ALA 161 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3jrm h ALA 161 Cb 0.56 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3jrm h ALA 161 CO 0.03 -0.24 0.40 0.00 0.00 0.00 0.00 179.25 179.44 3jrm h ALA 162 N 0.93 0.84 -0.66 0.00 0.00 -0.96 -1.80 119.26 117.60 3jrm h ALA 162 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3jrm h ALA 162 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3jrm h ALA 162 CO -0.01 0.15 0.44 0.87 0.00 0.00 0.00 179.25 180.70 3jrm h LYS 163 N 0.78 0.74 0.00 0.00 1.57 -0.82 0.70 116.57 119.54 3jrm h LYS 163 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3jrm h LYS 163 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3jrm h LYS 163 CO -0.11 0.49 0.00 1.96 -0.57 0.00 0.00 179.45 181.22 3jrm h GLN 164 N 0.77 0.00 0.00 3.15 1.08 -0.74 -3.33 115.11 116.04 3jrm h GLN 164 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3jrm h GLN 164 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3jrm h GLN 164 CO -0.08 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.34 3jrm n ARG 165 N -2.85 2.28 -3.99 1.46 5.12 -0.71 -4.97 116.66 112.99 3jrm n ARG 165 Ca 0.01 -0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.48 3jrm n ARG 165 Cb 0.28 -0.55 -0.16 0.00 -1.16 0.00 0.00 32.46 30.88 3jrm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jrm s ASP 166 N -0.37 3.40 0.33 0.55 2.15 0.16 -4.98 116.67 117.91 3jrm s ASP 166 Ca 0.00 -0.89 0.26 0.00 0.43 0.00 0.00 52.55 52.35 3jrm s ASP 166 Cb 0.00 -1.22 0.83 0.00 -0.30 0.00 0.00 42.92 42.23 3jrm s ASP 166 CO 0.00 -0.15 1.76 0.77 -0.17 0.00 0.00 175.17 177.38 3jrm h SER 167 N 7.98 0.00 0.82 -0.34 4.64 -1.86 -1.80 113.55 123.00 3jrm h SER 167 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3jrm h SER 167 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jrm h SER 167 CO 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 3jrm n ALA 168 N -1.90 2.35 -2.67 5.18 0.00 -1.26 -4.75 120.51 117.46 3jrm n ALA 168 Ca 0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 3jrm n ALA 168 Cb 0.39 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 3jrm n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3jrm s SER 169 N -2.84 5.06 0.00 0.00 0.01 -0.68 -1.63 113.70 113.62 3jrm s SER 169 Ca 0.19 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.42 3jrm s SER 169 Cb 0.19 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 65.12 3jrm s SER 169 CO 0.49 0.28 0.00 0.61 0.41 0.00 0.00 173.24 175.03 3jrm n GLY 170 N 1.37 0.05 0.35 3.44 0.00 -1.26 -4.76 105.19 104.39 3jrm n GLY 170 Ca -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3jrm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrm n GLY 171 N -0.40 -2.29 3.77 -0.02 0.00 -1.26 -1.44 105.19 103.54 3jrm n GLY 171 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3jrm n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jrm s MET 172 N -0.23 4.33 0.24 1.61 1.75 -1.26 -4.67 119.30 121.06 3jrm s MET 172 Ca 0.00 2.25 -0.29 0.00 -1.25 0.00 0.00 55.69 56.40 3jrm s MET 172 Cb 0.00 -3.07 -0.09 0.00 2.84 0.00 0.00 34.83 34.51 3jrm s MET 172 CO 0.00 -0.25 0.93 0.42 -0.65 0.00 0.00 175.02 175.47 3jrm s ILE 173 N -0.92 4.09 -0.13 10.11 1.01 -1.26 -3.81 121.20 130.28 3jrm s ILE 173 Ca 0.51 2.05 -0.00 0.00 0.00 0.00 0.00 60.65 63.21 3jrm s ILE 173 Cb -0.40 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 37.80 3jrm s ILE 173 CO 0.52 0.48 -0.08 -0.62 0.00 0.00 0.00 174.94 175.23 3jrm s ASP 174 N -1.21 2.45 -0.02 3.58 3.68 -0.50 -4.99 116.67 119.66 3jrm s ASP 174 Ca 0.41 -0.43 0.04 0.00 2.13 0.00 0.00 52.55 54.70 3jrm s ASP 174 Cb -0.25 -0.93 -0.01 0.00 -1.45 0.00 0.00 42.92 40.28 3jrm s ASP 174 CO 0.31 -0.12 -0.15 -0.69 0.13 0.00 0.00 175.17 174.65 3jrm s VAL 175 N 1.64 1.21 -0.03 1.11 1.01 -1.26 -1.83 120.40 122.26 3jrm s VAL 175 Ca 0.04 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3jrm s VAL 175 Cb -0.13 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3jrm s VAL 175 CO -0.09 0.35 -0.18 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 176 N -0.15 1.54 -0.09 5.51 0.00 -0.08 -0.78 121.76 127.71 3jrm s ALA 176 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3jrm s ALA 176 Cb -0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3jrm s ALA 176 CO 0.00 0.33 -0.15 0.08 0.00 0.00 0.00 175.76 176.02 3jrm s VAL 177 N -0.23 2.88 -0.23 0.00 1.01 0.16 -1.33 120.40 122.68 3jrm s VAL 177 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3jrm s VAL 177 Cb -0.09 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.18 3jrm s VAL 177 CO 0.01 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 3jrm s ILE 178 N -0.09 1.91 0.14 2.22 1.01 0.41 -0.79 121.20 126.00 3jrm s ILE 178 Ca -0.03 -1.28 0.07 0.00 0.00 0.00 0.00 60.65 59.41 3jrm s ILE 178 Cb -0.14 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3jrm s ILE 178 CO 0.04 0.11 -0.16 0.42 0.00 0.00 0.00 174.94 175.34 3jrm s THR 179 N 1.26 1.55 0.21 2.92 -4.23 -0.73 -1.75 115.64 114.88 3jrm s THR 179 Ca -0.04 -1.77 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 3jrm s THR 179 Cb -0.18 -1.64 0.15 0.00 1.34 0.00 0.00 72.50 72.17 3jrm s THR 179 CO -0.07 -0.33 1.83 -0.09 -0.54 0.00 0.00 174.62 175.42 3jrm h ARG 180 N 3.49 0.78 0.08 3.99 9.65 -1.87 0.38 114.38 130.88 3jrm h ARG 180 Ca -0.41 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3jrm h ARG 180 Cb 1.20 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3jrm h ARG 180 CO 0.49 0.51 -0.04 -0.22 2.80 0.00 0.00 179.97 183.52 3jrm h LYS 181 N 0.80 -0.10 -0.01 0.20 3.64 -1.96 -3.33 116.57 115.81 3jrm h LYS 181 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3jrm h LYS 181 Cb 0.09 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3jrm h LYS 181 CO -0.14 0.05 -0.02 -0.25 -2.27 0.00 0.00 179.45 176.82 3jrm n ASP 182 N -5.08 1.82 0.00 4.20 8.00 -1.23 -5.11 116.55 119.16 3jrm n ASP 182 Ca -0.08 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3jrm n ASP 182 Cb 0.12 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3jrm n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrm n GLY 183 N 0.62 -0.04 3.59 0.44 0.00 0.13 -4.56 105.19 105.38 3jrm n GLY 183 Ca 0.06 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3jrm n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3jrm s TYR 184 N 0.00 2.76 -0.17 1.61 6.14 -1.18 -1.77 117.35 124.73 3jrm s TYR 184 Ca 0.00 0.58 -0.01 0.00 0.64 0.00 0.00 57.07 58.28 3jrm s TYR 184 Cb 0.00 -4.43 -0.01 0.00 0.42 0.00 0.00 41.96 37.94 3jrm s TYR 184 CO 0.00 -1.36 -0.11 0.08 0.64 0.00 0.00 175.55 174.80 3jrm s VAL 185 N 4.56 3.03 -0.25 3.14 1.01 0.03 -4.99 120.40 126.92 3jrm s VAL 185 Ca 0.45 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 3jrm s VAL 185 Cb -0.07 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3jrm s VAL 185 CO 0.29 0.49 0.81 -1.58 0.00 0.00 0.00 175.10 175.11 3jrm s GLN 186 N 0.93 4.17 0.47 2.72 0.74 -1.26 -0.66 119.66 126.77 3jrm s GLN 186 Ca -0.02 0.90 -0.24 0.00 0.05 0.00 0.00 55.36 56.05 3jrm s GLN 186 Cb -0.15 -3.65 -0.08 0.00 1.10 0.00 0.00 33.01 30.23 3jrm s GLN 186 CO -0.01 -0.52 1.30 1.28 -0.55 0.00 0.00 175.29 176.80 3jrm n LEU 187 N 6.00 4.59 -4.81 3.68 4.77 0.04 -4.98 117.00 126.29 3jrm n LEU 187 Ca 0.05 1.06 -0.32 0.00 -0.03 0.00 0.00 56.01 56.77 3jrm n LEU 187 Cb 0.48 -1.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.06 3jrm n LEU 187 CO 0.47 -0.62 0.71 -2.84 -1.33 0.00 0.00 177.39 173.78 3jrm s PRO 188 N -2.46 3.16 0.20 3.23 0.02 -1.26 -4.72 135.00 133.17 3jrm s PRO 188 Ca 0.65 1.11 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 3jrm s PRO 188 Cb -0.47 -2.02 0.13 0.00 0.02 0.00 0.00 34.50 32.16 3jrm s PRO 188 CO 0.55 -0.93 1.83 1.15 -0.33 0.00 0.00 177.00 179.27 3jrm h THR 189 N -0.00 1.20 -0.68 0.99 2.02 -1.95 -2.48 112.91 112.01 3jrm h THR 189 Ca -0.46 -0.47 0.13 0.00 0.77 0.00 0.00 66.41 66.38 3jrm h THR 189 Cb 1.22 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 67.76 3jrm h THR 189 CO 0.57 0.22 -0.21 0.44 0.37 0.00 0.00 175.52 176.91 3jrm h ASP 190 N 0.95 -0.75 -0.48 4.18 5.19 -1.99 -1.18 116.42 122.33 3jrm h ASP 190 Ca 0.25 0.21 -0.13 0.00 -0.62 0.00 0.00 57.03 56.74 3jrm h ASP 190 Cb -0.01 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3jrm h ASP 190 CO -0.04 -0.25 -0.21 -0.61 -3.12 0.00 0.00 179.24 175.01 3jrm h GLN 191 N -0.03 1.00 0.36 3.56 4.15 -1.85 -0.42 115.11 121.89 3jrm h GLN 191 Ca 0.32 -0.43 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3jrm h GLN 191 Cb 0.52 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3jrm h GLN 191 CO -0.71 1.10 -0.17 0.82 -1.93 0.00 0.00 178.83 177.94 3jrm h ILE 192 N 0.85 0.64 -0.69 2.39 2.04 -1.19 -2.29 117.51 119.26 3jrm h ILE 192 Ca 0.11 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.73 3jrm h ILE 192 Cb 0.80 0.83 -0.11 0.00 -0.74 0.00 0.00 36.82 37.60 3jrm h ILE 192 CO 0.07 0.07 0.11 -0.33 0.00 0.00 0.00 178.15 178.07 3jrm h GLU 193 N -0.71 0.21 -0.36 2.37 5.08 -1.16 -0.42 114.58 119.59 3jrm h GLU 193 Ca -0.05 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3jrm h GLU 193 Cb 0.50 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 3jrm h GLU 193 CO 0.08 0.14 -0.10 1.03 -1.00 0.00 0.00 179.01 179.16 3jrm h SER 194 N 0.22 -0.36 0.44 1.42 0.87 -0.94 -1.16 113.55 114.04 3jrm h SER 194 Ca 0.38 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.96 3jrm h SER 194 Cb 0.63 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 3jrm h SER 194 CO -0.51 -0.13 -0.39 0.03 -0.53 0.00 0.00 176.83 175.30 3jrm h ARG 195 N -0.01 0.00 -0.53 2.24 3.08 -0.61 -0.55 114.38 118.00 3jrm h ARG 195 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3jrm h ARG 195 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3jrm h ARG 195 CO -0.38 0.39 0.30 0.82 -1.07 0.00 0.00 179.97 180.04 3jrm h ILE 196 N 0.00 1.17 0.56 2.04 2.04 -0.14 -0.40 117.51 122.78 3jrm h ILE 196 Ca -0.00 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3jrm h ILE 196 Cb 0.72 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3jrm h ILE 196 CO 0.05 0.18 -0.27 0.03 0.00 0.00 0.00 178.15 178.15 3jrm h ARG 197 N 0.71 -0.72 -0.82 2.37 3.08 -0.77 -1.40 114.38 116.82 3jrm h ARG 197 Ca 0.19 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.46 3jrm h ARG 197 Cb 0.03 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 3jrm h ARG 197 CO -0.03 -0.43 0.55 -0.22 -1.07 0.00 0.00 179.97 178.76 3jrm h LYS 198 N -0.89 0.40 0.00 0.04 3.64 -1.05 0.16 116.57 118.88 3jrm h LYS 198 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3jrm h LYS 198 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3jrm h LYS 198 CO 0.13 0.27 -0.29 1.28 -2.27 0.00 0.00 179.45 178.56 3jrm n LEU 199 N -4.49 0.33 -2.14 5.20 4.77 -0.17 -5.00 117.00 115.50 3jrm n LEU 199 Ca 0.16 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.35 3jrm n LEU 199 Cb 0.60 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3jrm n LEU 199 CO 0.32 0.05 0.06 0.61 -1.33 0.00 0.00 177.39 177.11 3jrm n GLY 200 N 1.48 -0.90 0.00 -0.72 0.00 0.56 -5.07 105.19 100.54 3jrm n GLY 200 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3jrm n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jrm n LEU 201 N -0.68 0.00 0.00 0.99 4.77 -0.92 -5.03 117.00 116.13 3jrm n LEU 201 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3jrm n LEU 201 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3jrm n LEU 201 CO 0.22 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.90 3jrm n ILE 202 N 0.00 0.00 0.00 -0.08 5.41 -1.26 -4.92 119.36 118.51 3jrm n ILE 202 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3jrm n ILE 202 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3jrm n ILE 202 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44