#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 0.65 0.12 12.58 2.01 -1.26 -1.25 115.64 128.49 3jrm s THR 2 Ca 0.00 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.01 3jrm s THR 2 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3jrm s THR 2 CO 0.00 0.30 -0.20 0.42 -0.69 0.00 0.00 174.62 174.45 3jrm s THR 3 N 1.70 1.74 0.00 -0.82 -4.23 -0.30 -2.36 115.64 111.38 3jrm s THR 3 Ca 0.02 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 3jrm s THR 3 Cb -0.13 -1.65 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 3jrm s THR 3 CO -0.05 -0.15 0.08 0.54 -0.54 0.00 0.00 174.62 174.50 3jrm s VAL 4 N -1.46 0.08 -0.03 2.29 0.11 0.31 -1.18 120.40 120.52 3jrm s VAL 4 Ca 0.09 -0.65 -0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3jrm s VAL 4 Cb -0.09 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3jrm s VAL 4 CO 0.05 -0.36 0.03 -0.83 -3.33 0.00 0.00 175.10 170.66 3jrm s GLY 5 N -1.18 0.16 0.21 6.54 0.00 -0.14 -1.19 107.32 111.72 3jrm s GLY 5 Ca -0.13 0.24 0.10 0.00 0.00 0.00 0.00 44.72 44.93 3jrm s GLY 5 CO 0.01 0.86 -0.20 -0.26 0.00 0.00 0.00 173.10 173.51 3jrm s ILE 6 N 1.36 2.13 0.02 0.90 -4.36 0.25 -1.33 121.20 120.17 3jrm s ILE 6 Ca -0.05 -2.14 0.07 0.00 -0.26 0.00 0.00 60.65 58.27 3jrm s ILE 6 Cb -0.13 -2.08 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 3jrm s ILE 6 CO -0.03 -0.34 -0.18 0.42 0.24 0.00 0.00 174.94 175.05 3jrm s THR 7 N -2.24 2.74 0.00 8.37 -4.23 -0.39 -1.61 115.64 118.28 3jrm s THR 7 Ca 0.22 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3jrm s THR 7 Cb -0.05 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3jrm s THR 7 CO 0.10 0.40 0.00 0.18 -0.54 0.00 0.00 174.62 174.76 3jrm n LEU 8 N 1.75 0.00 -0.17 4.79 4.77 -0.75 -4.92 117.00 122.48 3jrm n LEU 8 Ca -0.16 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 3jrm n LEU 8 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3jrm n LEU 8 CO 0.26 0.00 1.02 0.11 -1.33 0.00 0.00 177.39 177.45 3jrm h LYS 9 N 0.00 0.69 -0.10 3.23 1.57 -1.84 -3.27 116.57 116.85 3jrm h LYS 9 Ca 0.00 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3jrm h LYS 9 Cb 0.00 -0.13 -0.28 0.00 0.08 0.00 0.00 32.23 31.90 3jrm h LYS 9 CO 0.00 0.54 -0.87 -0.25 -0.57 0.00 0.00 179.45 178.30 3jrm n ASP 10 N -4.66 1.54 -3.84 0.86 10.43 -1.26 -4.69 116.55 114.93 3jrm n ASP 10 Ca 0.02 -2.69 -0.10 0.00 2.57 0.00 0.00 54.79 54.59 3jrm n ASP 10 Cb 0.08 -0.39 -0.06 0.00 1.84 0.00 0.00 41.12 42.59 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 -1.66 -0.39 -0.04 2.24 0.00 -1.24 -4.44 121.76 116.24 3jrm s ALA 11 Ca 0.36 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3jrm s ALA 11 Cb 0.38 0.76 0.02 0.00 0.00 0.00 0.00 23.12 24.29 3jrm s ALA 11 CO -0.11 -0.66 -0.02 0.08 0.00 0.00 0.00 175.76 175.05 3jrm s VAL 12 N -3.90 0.37 -0.12 0.00 1.01 -0.80 -1.81 120.40 115.16 3jrm s VAL 12 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3jrm s VAL 12 Cb 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3jrm s VAL 12 CO -0.04 0.19 -0.16 -0.63 0.00 0.00 0.00 175.10 174.45 3jrm s ILE 13 N 0.97 2.76 -0.01 2.22 1.01 -0.64 -0.15 121.20 127.37 3jrm s ILE 13 Ca -0.10 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3jrm s ILE 13 Cb -0.14 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3jrm s ILE 13 CO -0.01 0.54 -0.14 -0.04 0.00 0.00 0.00 174.94 175.29 3jrm s MET 14 N 0.27 1.15 0.06 2.79 -1.94 -0.50 -0.59 119.30 120.55 3jrm s MET 14 Ca -0.12 -0.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 3jrm s MET 14 Cb -0.16 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.58 3jrm s MET 14 CO 0.06 0.29 0.22 0.00 -0.01 0.00 0.00 175.02 175.58 3jrm s ALA 15 N -0.28 -0.39 0.26 3.03 0.00 -0.34 -0.86 121.76 123.18 3jrm s ALA 15 Ca 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3jrm s ALA 15 Cb -0.06 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3jrm s ALA 15 CO -0.00 -0.44 0.33 0.95 0.00 0.00 0.00 175.76 176.59 3jrm s THR 16 N -3.16 0.00 0.30 0.00 -4.23 -0.60 -0.53 115.64 107.42 3jrm s THR 16 Ca -0.01 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 3jrm s THR 16 Cb 0.02 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.45 3jrm s THR 16 CO -0.07 0.00 0.19 -1.84 -0.54 0.00 0.00 174.62 172.35 3jrm n GLU 17 N -0.40 1.09 -0.07 3.99 -0.00 -0.99 -1.23 120.64 123.02 3jrm n GLU 17 Ca 0.01 -1.94 0.02 0.00 -0.00 0.00 0.00 57.16 55.26 3jrm n GLU 17 Cb 0.63 0.27 0.03 0.00 -0.00 0.00 0.00 31.44 32.37 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 -1.12 1.58 -2.79 3.44 1.74 -0.83 -4.60 116.66 114.08 3jrm n ARG 18 Ca -0.03 -1.45 -0.40 0.00 -0.77 0.00 0.00 57.85 55.19 3jrm n ARG 18 Cb 0.35 -0.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.07 4.75 -0.16 5.56 3.52 -0.58 -0.66 118.95 130.31 3jrm s ARG 19 Ca 0.07 1.41 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 3jrm s ARG 19 Cb 0.06 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 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 -0.72 1.73 0.12 7.11 1.01 0.93 -4.77 120.40 125.81 3jrm s VAL 20 Ca 0.42 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3jrm s VAL 20 Cb -0.24 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3jrm s VAL 20 CO 0.30 0.47 -0.19 0.42 0.00 0.00 0.00 175.10 176.09 3jrm s THR 21 N 1.42 2.75 -0.52 3.92 -4.23 -1.26 -1.88 115.64 115.83 3jrm s THR 21 Ca 0.05 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3jrm s THR 21 Cb -0.13 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.59 3jrm s THR 21 CO -0.11 0.08 0.32 -0.32 -0.54 0.00 0.00 174.62 174.05 3jrm s MET 22 N -2.17 2.26 7.16 3.99 -2.45 -0.51 -4.92 119.30 122.67 3jrm s MET 22 Ca 0.18 -2.21 0.00 0.00 -1.25 0.00 0.00 55.69 52.40 3jrm s MET 22 Cb -0.10 -3.63 0.00 0.00 1.25 0.00 0.00 34.83 32.34 3jrm s MET 22 CO 0.10 -1.12 0.00 -1.91 1.05 0.00 0.00 175.02 173.13 3jrm n GLU 23 N 3.96 0.00 0.00 4.11 4.07 -1.26 -2.54 120.64 128.98 3jrm n GLU 23 Ca 0.03 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.27 3jrm n GLU 23 Cb 0.39 0.00 0.50 0.00 -0.06 0.00 0.00 31.44 32.27 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 6.81 0.21 -4.55 4.31 0.23 -1.26 -4.83 115.26 116.19 3jrm n ASN 24 Ca 0.00 0.12 -0.43 0.00 -0.53 0.00 0.00 54.58 53.74 3jrm n ASN 24 Cb 0.00 -0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 37.46 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 -2.93 2.75 -0.88 -2.53 2.19 -1.05 -4.99 117.98 110.53 3jrm s PHE 25 Ca 0.15 0.18 -0.25 0.00 0.33 0.00 0.00 56.93 57.34 3jrm s PHE 25 Cb 0.19 -4.21 0.00 0.00 -1.31 0.00 0.00 43.02 37.69 3jrm s PHE 25 CO 0.58 -1.39 1.67 0.42 1.83 0.00 0.00 175.22 178.32 3jrm s ILE 26 N 4.25 3.64 0.07 3.12 1.01 -1.26 -1.42 121.20 130.61 3jrm s ILE 26 Ca 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3jrm s ILE 26 Cb -0.11 -4.50 -0.28 0.00 0.01 0.00 0.00 42.46 37.59 3jrm s ILE 26 CO 0.22 -1.42 1.14 0.24 0.00 0.00 0.00 174.94 175.12 3jrm h MET 27 N 11.09 0.41 -3.77 2.79 2.86 -1.73 -3.45 114.93 123.13 3jrm h MET 27 Ca 0.03 -0.61 -0.37 0.00 -2.06 0.00 0.00 59.70 56.69 3jrm h MET 27 Cb 1.03 0.21 -0.35 0.00 0.06 0.00 0.00 31.60 32.56 3jrm h MET 27 CO 1.30 1.27 -0.75 -1.01 1.06 0.00 0.00 176.91 178.77 3jrm s HIS 28 N -2.83 0.44 -0.72 -0.22 3.76 -1.00 -5.03 115.29 109.71 3jrm s HIS 28 Ca -0.06 -0.06 0.24 0.00 -0.15 0.00 0.00 55.06 55.03 3jrm s HIS 28 Cb 0.07 -0.52 0.32 0.00 1.11 0.00 0.00 32.58 33.56 3jrm s HIS 28 CO 0.90 -0.17 1.28 1.63 -0.85 0.00 0.00 174.74 177.53 3jrm n LYS 29 N 4.28 0.22 -3.14 1.40 5.02 -1.26 -0.05 118.16 124.64 3jrm n LYS 29 Ca -0.23 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3jrm n LYS 29 Cb 0.50 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.93 1.82 -4.89 4.39 3.02 -1.22 -4.23 115.26 112.22 3jrm n ASN 30 Ca 0.03 -3.17 -0.29 0.00 -0.03 0.00 0.00 54.58 51.12 3jrm n ASN 30 Cb 0.41 -0.61 0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.58 1.61 -0.14 7.41 0.00 0.16 -5.04 107.32 108.75 3jrm s GLY 31 Ca 0.42 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 3jrm s GLY 31 CO -0.10 -0.10 -0.07 1.25 0.00 0.00 0.00 173.10 174.08 3jrm s LYS 32 N -5.43 3.54 0.00 2.90 2.20 -1.26 -4.54 119.74 117.15 3jrm s LYS 32 Ca 0.60 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3jrm s LYS 32 Cb -0.11 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3jrm s LYS 32 CO 0.50 0.26 0.35 1.63 -0.36 0.00 0.00 175.35 177.72 3jrm n LYS 33 N 3.46 -0.53 -4.71 4.03 5.02 -1.26 -4.99 118.16 119.17 3jrm n LYS 33 Ca -0.18 -0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 55.46 3jrm n LYS 33 Cb 0.53 -0.82 -0.17 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.03 1.85 0.00 -0.35 2.96 -1.26 -1.51 118.68 120.34 3jrm s LEU 34 Ca 0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3jrm s LEU 34 Cb 0.00 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3jrm s LEU 34 CO 0.00 0.07 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.69 3jrm s PHE 35 N 0.72 0.39 0.06 5.38 0.08 -0.23 -4.99 117.98 119.39 3jrm s PHE 35 Ca -0.12 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 3jrm s PHE 35 Cb -0.16 -0.25 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 3jrm s PHE 35 CO 0.02 -0.03 0.97 -1.14 -0.10 0.00 0.00 175.22 174.95 3jrm s GLN 36 N -0.36 4.63 0.00 0.44 0.74 -1.26 -0.76 119.66 123.09 3jrm s GLN 36 Ca -0.01 1.44 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3jrm s GLN 36 Cb -0.03 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3jrm s GLN 36 CO -0.00 0.09 0.34 0.44 -0.55 0.00 0.00 175.29 175.61 3jrm n ILE 37 N 3.28 0.00 -3.85 -2.34 -5.35 -0.01 -4.93 119.36 106.16 3jrm n ILE 37 Ca 0.04 -0.43 -0.05 0.00 -0.27 0.00 0.00 62.75 62.03 3jrm n ILE 37 Cb 0.50 1.10 0.02 0.00 -1.74 0.00 0.00 39.64 39.52 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 -0.19 -0.00 0.16 7.28 2.15 -1.05 -4.53 116.67 120.48 3jrm s ASP 38 Ca 0.00 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 51.99 3jrm s ASP 38 Cb 0.00 0.63 0.09 0.00 -0.30 0.00 0.00 42.92 43.34 3jrm s ASP 38 CO 0.00 -1.25 1.76 0.74 -0.17 0.00 0.00 175.17 176.24 3jrm h THR 39 N 2.00 0.90 -0.43 1.71 2.02 -1.98 -2.78 112.91 114.35 3jrm h THR 39 Ca -0.29 -0.11 -0.31 0.00 0.77 0.00 0.00 66.41 66.47 3jrm h THR 39 Cb 1.23 0.54 -0.23 0.00 -1.74 0.00 0.00 68.15 67.95 3jrm h THR 39 CO 0.37 0.06 -0.61 -1.22 0.37 0.00 0.00 175.52 174.49 3jrm n TYR 40 N -4.99 1.54 -4.19 3.16 4.01 -1.26 -2.92 117.16 112.50 3jrm n TYR 40 Ca 0.02 -1.91 -0.19 0.00 -0.16 0.00 0.00 57.90 55.67 3jrm n TYR 40 Cb 0.14 -0.34 -0.16 0.00 -0.31 0.00 0.00 39.34 38.68 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 -3.97 0.52 0.17 -0.72 2.01 -1.05 -2.04 115.64 110.55 3jrm s THR 41 Ca 0.46 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.35 3jrm s THR 41 Cb 0.40 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 3jrm s THR 41 CO -0.01 0.19 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.13 3jrm s GLY 42 N 0.51 1.32 -0.02 4.40 0.00 0.58 -0.83 107.32 113.28 3jrm s GLY 42 Ca -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.17 3jrm s GLY 42 CO 0.00 -1.57 -0.05 -0.29 0.00 0.00 0.00 173.10 171.19 3jrm s MET 43 N -3.08 0.55 0.10 2.90 1.75 0.06 -0.68 119.30 120.90 3jrm s MET 43 Ca 0.16 -0.15 0.06 0.00 -1.25 0.00 0.00 55.69 54.52 3jrm s MET 43 Cb -0.04 -0.56 -0.04 0.00 2.84 0.00 0.00 34.83 37.03 3jrm s MET 43 CO 0.06 0.04 -0.06 0.95 -0.65 0.00 0.00 175.02 175.36 3jrm s THR 44 N 0.28 3.62 -0.01 10.11 -4.23 0.09 -1.07 115.64 124.43 3jrm s THR 44 Ca -0.03 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3jrm s THR 44 Cb -0.07 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3jrm s THR 44 CO -0.00 0.12 -0.23 0.27 -0.54 0.00 0.00 174.62 174.24 3jrm s ILE 45 N -1.24 1.84 0.04 2.99 -4.36 -0.57 -2.21 121.20 117.68 3jrm s ILE 45 Ca 0.23 -1.05 -0.02 0.00 -0.26 0.00 0.00 60.65 59.55 3jrm s ILE 45 Cb -0.11 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 3jrm s ILE 45 CO 0.15 0.47 -0.00 0.00 0.24 0.00 0.00 174.94 175.80 3jrm s ALA 46 N -0.59 0.30 0.00 2.27 0.00 -0.75 -4.89 121.76 118.10 3jrm s ALA 46 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3jrm s ALA 46 Cb -0.09 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3jrm s ALA 46 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3jrm n GLY 47 N 0.57 -0.32 3.67 0.00 0.00 -1.26 -1.37 105.19 106.48 3jrm n GLY 47 Ca -0.17 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 4.32 0.10 0.99 2.96 0.19 -4.90 118.68 122.35 3jrm s LEU 48 Ca 0.00 2.22 -0.22 0.00 -0.22 0.00 0.00 54.13 55.91 3jrm s LEU 48 Cb 0.00 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.03 3jrm s LEU 48 CO 0.00 -0.86 1.75 0.58 -1.32 0.00 0.00 176.35 176.50 3jrm h VAL 49 N 5.26 1.01 -0.37 1.68 2.07 -1.93 -1.74 116.25 122.23 3jrm h VAL 49 Ca -0.39 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3jrm h VAL 49 Cb 1.18 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3jrm h VAL 49 CO 0.94 0.02 -0.15 1.23 0.02 0.00 0.00 177.57 179.63 3jrm h GLY 50 N 0.10 0.17 0.96 2.17 0.00 -1.99 0.91 103.07 105.37 3jrm h GLY 50 Ca 0.03 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.56 3jrm h GLY 50 CO -0.01 -0.17 0.23 -0.55 0.00 0.00 0.00 176.54 176.03 3jrm h ASP 51 N -0.08 0.38 -0.21 0.19 3.32 -1.89 -2.05 116.42 116.08 3jrm h ASP 51 Ca 0.19 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.25 3jrm h ASP 51 Cb 0.36 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3jrm h ASP 51 CO -0.43 0.27 0.10 0.00 -1.72 0.00 0.00 179.24 177.47 3jrm h ALA 52 N 1.15 0.25 -0.57 3.45 0.00 -0.72 -1.85 119.26 120.96 3jrm h ALA 52 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3jrm h ALA 52 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3jrm h ALA 52 CO -0.05 -0.32 0.20 1.96 0.00 0.00 0.00 179.25 181.05 3jrm h GLN 53 N 0.22 0.88 -0.22 0.00 4.20 -0.68 0.22 115.11 119.72 3jrm h GLN 53 Ca 0.09 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3jrm h GLN 53 Cb 0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3jrm h GLN 53 CO -0.07 0.78 0.01 0.28 -0.67 0.00 0.00 178.83 179.16 3jrm h VAL 54 N 0.80 0.87 -0.88 -0.54 2.07 -1.29 -2.24 116.25 115.03 3jrm h VAL 54 Ca 0.19 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3jrm h VAL 54 Cb 0.25 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3jrm h VAL 54 CO -0.01 0.02 0.58 -0.07 0.02 0.00 0.00 177.57 178.10 3jrm h LEU 55 N 0.09 0.94 -0.15 2.57 3.38 -0.70 -1.19 115.31 120.25 3jrm h LEU 55 Ca 0.10 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3jrm h LEU 55 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3jrm h LEU 55 CO -0.16 0.65 0.03 0.58 0.09 0.00 0.00 178.44 179.63 3jrm h VAL 56 N 1.09 0.94 -0.42 1.22 2.07 -0.43 -0.75 116.25 119.98 3jrm h VAL 56 Ca 0.35 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 3jrm h VAL 56 Cb 0.04 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3jrm h VAL 56 CO -0.11 0.02 0.22 0.03 0.02 0.00 0.00 177.57 177.75 3jrm h ARG 57 N 0.09 0.60 -0.45 1.57 3.08 -0.92 -1.06 114.38 117.28 3jrm h ARG 57 Ca 0.07 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3jrm h ARG 57 Cb 0.06 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 3jrm h ARG 57 CO -0.09 0.50 0.18 1.88 -1.07 0.00 0.00 179.97 181.36 3jrm h TYR 58 N 0.55 0.31 -0.44 3.04 0.99 -0.96 -1.30 116.97 119.16 3jrm h TYR 58 Ca 0.15 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 3jrm h TYR 58 Cb 0.08 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 3jrm h TYR 58 CO -0.02 0.12 0.13 0.52 -0.00 0.00 0.00 178.16 178.91 3jrm h MET 59 N 0.36 0.70 -0.27 4.88 2.86 -0.72 0.38 114.93 123.11 3jrm h MET 59 Ca 0.21 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3jrm h MET 59 Cb 0.19 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3jrm h MET 59 CO -0.20 0.68 -0.10 0.87 1.06 0.00 0.00 176.91 179.22 3jrm h LYS 60 N 0.58 -0.05 0.22 1.72 1.57 -0.96 -0.69 116.57 118.95 3jrm h LYS 60 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3jrm h LYS 60 Cb 0.28 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3jrm h LYS 60 CO -0.00 -0.04 -0.10 0.00 -0.57 0.00 0.00 179.45 178.74 3jrm h ALA 61 N 1.19 -0.29 -0.22 3.86 0.00 -0.88 -1.50 119.26 121.41 3jrm h ALA 61 Ca 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 61 Cb 0.27 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3jrm h ALA 61 CO -0.31 -0.60 -0.12 1.49 0.00 0.00 0.00 179.25 179.70 3jrm h GLU 62 N -0.41 0.37 0.15 0.00 4.22 0.04 -1.15 114.58 117.79 3jrm h GLU 62 Ca -0.03 -0.09 -0.30 0.00 0.08 0.00 0.00 59.36 59.02 3jrm h GLU 62 Cb 0.31 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.52 3jrm h GLU 62 CO 0.05 0.49 -1.40 -0.07 -2.18 0.00 0.00 179.01 175.91 3jrm h LEU 63 N 0.34 0.48 -0.34 1.64 3.38 -1.10 -1.81 115.31 117.90 3jrm h LEU 63 Ca 0.07 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3jrm h LEU 63 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3jrm h LEU 63 CO 0.02 1.45 0.23 -0.08 0.09 0.00 0.00 178.44 180.15 3jrm h GLU 64 N 0.08 0.45 0.12 1.13 4.81 -1.00 -1.76 114.58 118.41 3jrm h GLU 64 Ca -0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3jrm h GLU 64 Cb 2.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 3jrm h GLU 64 CO 0.20 0.30 -0.09 1.25 -0.73 0.00 0.00 179.01 179.94 3jrm h LEU 65 N 0.46 -0.23 -0.71 1.64 5.85 -1.24 -2.34 115.31 118.74 3jrm h LEU 65 Ca 0.13 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3jrm h LEU 65 Cb -0.05 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 3jrm h LEU 65 CO -0.03 -0.14 0.33 0.22 -0.34 0.00 0.00 178.44 178.47 3jrm h TYR 66 N -0.22 0.57 -0.61 1.25 5.03 -1.24 -1.13 116.97 120.62 3jrm h TYR 66 Ca -0.01 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3jrm h TYR 66 Cb 0.19 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 3jrm h TYR 66 CO -0.10 0.16 0.07 -0.09 -1.32 0.00 0.00 178.16 176.88 3jrm h ARG 67 N 0.53 1.03 -0.44 1.82 2.43 -1.08 0.25 114.38 118.91 3jrm h ARG 67 Ca 0.37 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3jrm h ARG 67 Cb 0.45 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3jrm h ARG 67 CO -0.31 0.97 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.82 3jrm h LEU 68 N 0.96 0.96 -0.50 3.80 3.38 -0.95 0.12 115.31 123.08 3jrm h LEU 68 Ca 0.19 -0.41 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 3jrm h LEU 68 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3jrm h LEU 68 CO 0.02 1.16 -0.59 1.56 0.09 0.00 0.00 178.44 180.68 3jrm h GLN 69 N 0.77 0.52 0.00 1.13 4.20 -0.84 -3.31 115.11 117.58 3jrm h GLN 69 Ca 0.10 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 3jrm h GLN 69 Cb 0.80 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 3jrm h GLN 69 CO 0.07 0.96 -2.00 0.54 -0.67 0.00 0.00 178.83 177.72 3jrm n ARG 70 N -3.93 0.66 -1.12 1.46 3.00 0.86 -4.98 116.66 112.60 3jrm n ARG 70 Ca -0.03 -0.20 -0.04 0.00 -0.01 0.00 0.00 57.85 57.57 3jrm n ARG 70 Cb 0.62 -1.52 -0.02 0.00 0.00 0.00 0.00 32.46 31.55 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 -2.26 -1.46 -4.17 5.56 1.74 0.41 -4.98 116.66 111.49 3jrm n ARG 71 Ca -0.04 0.57 -0.14 0.00 -0.77 0.00 0.00 57.85 57.47 3jrm n ARG 71 Cb 0.58 -4.75 -0.11 0.00 -1.02 0.00 0.00 32.46 27.16 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 -1.58 0.92 0.43 1.55 -7.23 -1.25 -5.04 120.40 108.21 3jrm s VAL 72 Ca 0.00 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 3jrm s VAL 72 Cb 0.00 -1.38 -0.08 0.00 0.56 0.00 0.00 36.38 35.48 3jrm s VAL 72 CO 0.00 -0.58 1.15 0.20 -0.31 0.00 0.00 175.10 175.55 3jrm s ASN 73 N -2.49 6.36 0.21 4.85 -0.87 -1.26 -4.18 114.94 117.56 3jrm s ASN 73 Ca 0.06 2.27 -0.32 0.00 -1.57 0.00 0.00 52.86 53.30 3jrm s ASN 73 Cb -0.02 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.48 3jrm s ASN 73 CO -0.00 -0.78 1.68 0.80 -2.57 0.00 0.00 177.10 176.22 3jrm n MET 74 N -0.28 2.65 -1.63 -0.60 0.00 -1.26 -4.94 117.12 111.07 3jrm n MET 74 Ca 0.06 0.96 -0.40 0.00 -0.00 0.00 0.00 57.70 58.31 3jrm n MET 74 Cb 0.48 -2.78 0.02 0.00 0.00 0.00 0.00 33.22 30.95 3jrm n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3jrm n PRO 75 N 3.57 1.32 -0.21 2.12 -0.02 -1.26 -4.82 135.00 135.70 3jrm n PRO 75 Ca 0.15 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3jrm n PRO 75 Cb 0.34 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.34 1.21 -0.01 4.25 1.08 -1.91 0.43 117.51 123.89 3jrm h ILE 76 Ca -0.46 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3jrm h ILE 76 Cb 1.34 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 3jrm h ILE 76 CO 0.56 0.24 0.01 -0.08 -0.69 0.00 0.00 178.15 178.18 3jrm h GLU 77 N 0.81 0.00 -0.33 2.37 4.81 -1.99 -1.74 114.58 118.52 3jrm h GLU 77 Ca 0.21 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3jrm h GLU 77 Cb 0.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3jrm h GLU 77 CO -0.03 0.00 -0.37 0.00 -0.73 0.00 0.00 179.01 177.88 3jrm h ALA 78 N 2.00 0.73 -0.30 2.92 0.00 -1.31 -0.32 119.26 122.98 3jrm h ALA 78 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3jrm h ALA 78 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 78 CO -0.00 0.66 0.15 0.28 0.00 0.00 0.00 179.25 180.34 3jrm h VAL 79 N 0.63 1.15 -0.71 0.00 2.07 -0.43 0.24 116.25 119.19 3jrm h VAL 79 Ca 0.06 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3jrm h VAL 79 Cb 0.92 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3jrm h VAL 79 CO 0.08 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.09 3jrm h ALA 80 N 1.01 0.93 -0.50 1.67 0.00 -1.31 -1.46 119.26 119.59 3jrm h ALA 80 Ca 0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3jrm h ALA 80 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3jrm h ALA 80 CO -0.01 0.56 -0.05 1.15 0.00 0.00 0.00 179.25 180.90 3jrm h THR 81 N 1.02 1.26 -0.08 0.00 2.02 -0.68 -0.33 112.91 116.13 3jrm h THR 81 Ca 0.24 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 3jrm h THR 81 Cb 0.24 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3jrm h THR 81 CO -0.02 0.40 0.04 0.25 0.37 0.00 0.00 175.52 176.56 3jrm h LEU 82 N 0.80 0.09 -0.77 2.58 5.85 -0.67 -1.49 115.31 121.71 3jrm h LEU 82 Ca 0.14 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3jrm h LEU 82 Cb 0.55 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3jrm h LEU 82 CO 0.03 0.13 0.47 -0.07 -0.34 0.00 0.00 178.44 178.66 3jrm h LEU 83 N 0.05 0.92 -0.17 2.25 3.38 -1.06 -1.18 115.31 119.49 3jrm h LEU 83 Ca 0.03 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3jrm h LEU 83 Cb 0.05 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3jrm h LEU 83 CO -0.00 0.71 -0.29 -1.28 0.09 0.00 0.00 178.44 177.66 3jrm h SER 84 N 1.05 -0.92 -0.61 -0.43 0.87 -0.85 -0.80 113.55 111.87 3jrm h SER 84 Ca 0.28 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.95 3jrm h SER 84 Cb -0.05 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3jrm h SER 84 CO -0.05 -0.33 0.24 0.78 -0.53 0.00 0.00 176.83 176.94 3jrm h ASN 85 N -0.34 0.84 -0.45 6.23 2.35 -0.94 -2.20 115.58 121.07 3jrm h ASN 85 Ca 0.11 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3jrm h ASN 85 Cb 0.51 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3jrm h ASN 85 CO -0.37 0.78 0.14 0.24 -1.65 0.00 0.00 177.43 176.58 3jrm h MET 86 N 0.85 0.70 -0.13 0.81 2.86 -0.74 -1.02 114.93 118.26 3jrm h MET 86 Ca 0.20 -0.15 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 3jrm h MET 86 Cb 0.21 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.77 3jrm h MET 86 CO -0.02 0.67 -0.79 -0.07 1.06 0.00 0.00 176.91 177.77 3jrm h LEU 87 N 0.59 0.91 -0.64 1.22 4.07 -1.13 -3.11 115.31 117.22 3jrm h LEU 87 Ca 0.15 -0.65 -0.13 0.00 0.08 0.00 0.00 57.88 57.33 3jrm h LEU 87 Cb 0.26 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3jrm h LEU 87 CO -0.01 1.42 -0.29 -1.13 -1.08 0.00 0.00 178.44 177.35 3jrm h ASN 88 N 0.48 0.77 -0.89 -0.43 -0.73 -1.37 -2.37 115.58 111.04 3jrm h ASN 88 Ca -0.06 -0.30 0.19 0.00 1.87 0.00 0.00 56.30 57.99 3jrm h ASN 88 Cb 1.42 -0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.73 3jrm h ASN 88 CO 0.16 1.01 0.58 1.56 -0.37 0.00 0.00 177.43 180.38 3jrm h GLN 89 N 0.63 0.47 -0.76 6.67 4.20 -1.12 -1.73 115.11 123.48 3jrm h GLN 89 Ca 0.08 -0.03 -0.52 0.00 0.06 0.00 0.00 58.65 58.23 3jrm h GLN 89 Cb 0.81 -0.11 -0.33 0.00 0.30 0.00 0.00 27.48 28.16 3jrm h GLN 89 CO 0.07 0.31 -0.16 1.33 -0.67 0.00 0.00 178.83 179.71 3jrm n VAL 90 N -4.53 2.88 0.05 -0.54 0.24 -0.91 -4.81 118.33 110.70 3jrm n VAL 90 Ca 0.19 -3.55 0.04 0.00 -2.04 0.00 0.00 64.34 58.98 3jrm n VAL 90 Cb 0.63 -0.99 0.44 0.00 -1.47 0.00 0.00 33.84 32.45 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 1.90 0.43 -0.00 7.34 2.10 -1.09 -1.22 116.57 126.03 3jrm h LYS 91 Ca 0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3jrm h LYS 91 Cb 1.35 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3jrm h LYS 91 CO 0.95 0.33 -0.20 0.66 -2.00 0.00 0.00 179.45 179.19 3jrm n TYR 92 N -4.44 0.00 -3.15 0.07 4.02 -1.26 -3.71 117.16 108.68 3jrm n TYR 92 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.71 3jrm n TYR 92 Cb 0.10 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.05 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 -1.37 1.35 -1.44 -0.72 2.81 -0.55 -5.13 117.12 112.07 3jrm n MET 93 Ca 0.08 -3.63 -0.31 0.00 -1.81 0.00 0.00 57.70 52.03 3jrm n MET 93 Cb 0.32 -1.78 0.08 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.56 2.46 -0.30 0.03 0.04 -0.68 -4.92 135.00 129.07 3jrm s PRO 94 Ca 0.41 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 3jrm s PRO 94 Cb 0.33 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.93 3jrm s PRO 94 CO -0.09 -1.44 1.38 0.71 0.04 0.00 0.00 177.00 177.60 3jrm s TYR 95 N -3.01 2.52 -1.35 0.56 1.51 -1.26 -4.96 117.35 111.36 3jrm s TYR 95 Ca 0.60 0.77 -0.14 0.00 -1.01 0.00 0.00 57.07 57.30 3jrm s TYR 95 Cb -0.15 -3.99 0.10 0.00 -0.11 0.00 0.00 41.96 37.80 3jrm s TYR 95 CO 0.55 -1.99 1.94 -1.33 -1.11 0.00 0.00 175.55 173.61 3jrm n MET 96 N 7.51 3.19 -4.09 -0.62 2.81 -1.26 -4.61 117.12 120.05 3jrm n MET 96 Ca 0.16 -3.13 -0.07 0.00 -1.81 0.00 0.00 57.70 52.84 3jrm n MET 96 Cb 0.47 -3.21 -0.10 0.00 -0.71 0.00 0.00 33.22 29.67 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 2.49 0.22 -0.13 2.03 -7.23 -1.26 -0.63 120.40 115.89 3jrm s VAL 97 Ca 0.46 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 3jrm s VAL 97 Cb 0.09 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3jrm s VAL 97 CO -0.02 -0.97 -0.21 -1.10 -0.31 0.00 0.00 175.10 172.49 3jrm s GLN 98 N -3.92 2.82 -0.05 4.82 -0.21 -0.47 -2.86 119.66 119.79 3jrm s GLN 98 Ca 0.08 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 54.72 3jrm s GLN 98 Cb 0.08 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 3jrm s GLN 98 CO -0.09 -0.00 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.40 3jrm s LEU 99 N 0.80 2.60 -0.12 2.90 1.43 -0.10 -1.81 118.68 124.37 3jrm s LEU 99 Ca -0.08 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3jrm s LEU 99 Cb -0.16 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3jrm s LEU 99 CO -0.01 0.34 -0.06 -0.76 0.23 0.00 0.00 176.35 176.09 3jrm s LEU 100 N -0.69 3.16 -0.18 1.79 1.43 -0.94 -0.83 118.68 122.43 3jrm s LEU 100 Ca 0.11 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3jrm s LEU 100 Cb -0.11 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3jrm s LEU 100 CO 0.00 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 3jrm s VAL 101 N -0.02 2.06 0.04 -1.59 1.01 -0.44 -0.73 120.40 120.73 3jrm s VAL 101 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3jrm s VAL 101 Cb -0.13 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3jrm s VAL 101 CO 0.03 0.54 -0.16 -0.83 0.00 0.00 0.00 175.10 174.68 3jrm s GLY 102 N 1.27 0.89 -0.06 4.51 0.00 0.15 -0.45 107.32 113.63 3jrm s GLY 102 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 3jrm s GLY 102 CO -0.13 -0.86 1.34 -0.32 0.00 0.00 0.00 173.10 173.13 3jrm s GLY 103 N -1.17 -0.20 -0.14 0.20 0.00 -0.59 -0.31 107.32 105.10 3jrm s GLY 103 Ca 0.03 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3jrm s GLY 103 CO 0.01 5.94 -0.17 -0.42 0.00 0.00 0.00 173.10 178.46 3jrm s ILE 104 N -2.02 2.54 0.00 0.90 -1.09 -0.87 -0.84 121.20 119.82 3jrm s ILE 104 Ca 0.30 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3jrm s ILE 104 Cb 0.00 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 3jrm s ILE 104 CO -0.02 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.32 3jrm n ASP 105 N 3.86 0.00 0.07 3.58 5.68 -1.26 -4.79 116.55 123.69 3jrm n ASP 105 Ca -0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.22 3jrm n ASP 105 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 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 0.64 -3.92 2.12 -2.24 -1.26 -4.85 114.28 104.78 3jrm n THR 106 Ca 0.00 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 3jrm n THR 106 Cb 0.00 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.13 -0.44 0.47 6.98 0.00 -1.26 -5.15 121.76 119.23 3jrm s ALA 107 Ca 0.08 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 3jrm s ALA 107 Cb 0.12 0.97 -0.09 0.00 0.00 0.00 0.00 23.12 24.12 3jrm s ALA 107 CO 0.44 -0.82 1.01 -1.25 0.00 0.00 0.00 175.76 175.14 3jrm s PRO 108 N -3.97 3.93 -0.06 0.00 0.05 -1.26 -4.33 135.00 129.37 3jrm s PRO 108 Ca 0.17 1.27 -0.11 0.00 0.05 0.00 0.00 61.00 62.39 3jrm s PRO 108 Cb -0.00 -2.12 0.02 0.00 0.05 0.00 0.00 34.50 32.45 3jrm s PRO 108 CO 0.04 -0.31 0.27 -1.01 0.05 0.00 0.00 177.00 176.05 3jrm s HIS 109 N -2.07 -0.22 -0.06 0.56 3.76 -0.02 -4.97 115.29 112.28 3jrm s HIS 109 Ca 0.65 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 56.05 3jrm s HIS 109 Cb -0.14 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.65 3jrm s HIS 109 CO 0.18 -0.25 -0.09 0.08 -0.85 0.00 0.00 174.74 173.81 3jrm s VAL 110 N -0.57 0.92 0.05 -0.90 1.01 -1.26 -1.55 120.40 118.10 3jrm s VAL 110 Ca -0.07 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3jrm s VAL 110 Cb -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3jrm s VAL 110 CO 0.02 0.31 -0.25 -0.36 0.00 0.00 0.00 175.10 174.83 3jrm s PHE 111 N 0.88 2.15 -0.19 5.22 0.40 0.41 -2.08 117.98 124.77 3jrm s PHE 111 Ca -0.11 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3jrm s PHE 111 Cb -0.15 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.11 3jrm s PHE 111 CO 0.01 0.12 -0.16 0.45 0.70 0.00 0.00 175.22 176.34 3jrm s SER 112 N -1.22 3.43 -0.07 1.36 0.15 -0.60 -1.32 113.70 115.42 3jrm s SER 112 Ca 0.10 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.21 3jrm s SER 112 Cb -0.10 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 3jrm s SER 112 CO 0.02 -0.00 -0.18 -0.63 1.20 0.00 0.00 173.24 173.65 3jrm s ILE 113 N 1.33 2.71 0.56 6.45 1.09 -0.01 -1.98 121.20 131.35 3jrm s ILE 113 Ca 0.05 -0.83 0.08 0.00 -1.10 0.00 0.00 60.65 58.85 3jrm s ILE 113 Cb -0.13 -2.05 0.06 0.00 -1.06 0.00 0.00 42.46 39.28 3jrm s ILE 113 CO -0.10 0.57 0.62 1.51 -0.10 0.00 0.00 174.94 177.44 3jrm s ASP 114 N -0.31 4.91 0.18 3.58 1.47 -0.10 -0.92 116.67 125.47 3jrm s ASP 114 Ca 0.02 -1.01 0.20 0.00 1.18 0.00 0.00 52.55 52.94 3jrm s ASP 114 Cb -0.13 0.33 0.86 0.00 -0.34 0.00 0.00 42.92 43.64 3jrm s ASP 114 CO 0.03 -1.23 1.63 0.00 0.68 0.00 0.00 175.17 176.27 3jrm n ALA 115 N -2.03 1.64 -0.06 2.11 0.00 -1.13 -1.65 120.51 119.39 3jrm n ALA 115 Ca 0.08 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3jrm n ALA 115 Cb 0.63 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.69 2.38 -0.67 0.00 0.00 -1.26 -4.52 120.51 114.74 3jrm n ALA 116 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3jrm n ALA 116 Cb 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.46 0.70 3.68 0.00 0.00 -0.66 -3.88 105.19 106.49 3jrm n GLY 117 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 1.86 -0.11 -0.02 0.00 -1.26 -4.50 107.32 101.36 3jrm s GLY 118 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3jrm s GLY 118 CO 0.00 2.47 -0.16 -0.45 0.00 0.00 0.00 173.10 174.96 3jrm s SER 119 N 1.91 2.56 -0.04 1.64 0.15 -1.26 -0.92 113.70 117.74 3jrm s SER 119 Ca 0.61 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.83 3jrm s SER 119 Cb -0.28 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 3jrm s SER 119 CO 0.23 0.02 -0.13 -0.69 1.20 0.00 0.00 173.24 173.88 3jrm s VAL 120 N 0.97 1.08 0.38 4.45 1.01 -0.84 -4.96 120.40 122.50 3jrm s VAL 120 Ca -0.06 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3jrm s VAL 120 Cb -0.15 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 3jrm s VAL 120 CO -0.02 0.33 0.79 -0.70 0.00 0.00 0.00 175.10 175.50 3jrm s GLU 121 N 0.19 3.93 0.09 2.72 2.12 -1.26 -1.56 118.70 124.93 3jrm s GLU 121 Ca -0.05 0.67 -0.25 0.00 0.36 0.00 0.00 54.97 55.70 3jrm s GLU 121 Cb -0.11 -2.36 0.08 0.00 0.26 0.00 0.00 34.13 32.01 3jrm s GLU 121 CO 0.01 0.02 0.70 0.34 -0.54 0.00 0.00 175.26 175.80 3jrm s ASP 122 N -2.68 -0.50 0.30 -1.70 -1.08 -0.88 -4.98 116.67 105.14 3jrm s ASP 122 Ca 0.54 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.74 3jrm s ASP 122 Cb -0.10 0.52 0.42 0.00 -1.46 0.00 0.00 42.92 42.30 3jrm s ASP 122 CO 0.24 -0.83 1.62 0.16 0.52 0.00 0.00 175.17 176.88 3jrm h ILE 123 N 2.04 1.19 -3.60 4.11 3.07 -1.95 -3.35 117.51 119.02 3jrm h ILE 123 Ca -0.30 -1.99 -0.07 0.00 1.55 0.00 0.00 64.86 64.05 3jrm h ILE 123 Cb 1.28 2.14 -0.13 0.00 -0.27 0.00 0.00 36.82 39.84 3jrm h ILE 123 CO 0.36 0.53 -0.20 -0.72 -1.05 0.00 0.00 178.15 177.06 3jrm s TYR 124 N -3.48 0.03 -0.05 0.16 -0.85 -1.26 -1.26 117.35 110.63 3jrm s TYR 124 Ca -0.00 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 55.85 3jrm s TYR 124 Cb 0.11 0.12 0.07 0.00 0.38 0.00 0.00 41.96 42.64 3jrm s TYR 124 CO 0.73 -0.68 0.68 0.00 -1.52 0.00 0.00 175.55 174.77 3jrm s ALA 125 N -3.86 -1.77 0.04 9.51 0.00 -0.44 -5.02 121.76 120.23 3jrm s ALA 125 Ca 0.07 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3jrm s ALA 125 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3jrm s ALA 125 CO -0.09 -0.37 -0.06 0.45 0.00 0.00 0.00 175.76 175.70 3jrm s SER 126 N -1.16 0.65 0.11 0.00 0.15 -1.26 -0.96 113.70 111.22 3jrm s SER 126 Ca -0.11 -0.60 -0.00 0.00 0.70 0.00 0.00 55.95 55.94 3jrm s SER 126 Cb -0.00 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 3jrm s SER 126 CO 0.10 -0.29 0.00 0.42 1.20 0.00 0.00 173.24 174.67 3jrm s THR 127 N -1.77 0.32 0.00 6.45 -4.23 -0.33 -4.91 115.64 111.17 3jrm s THR 127 Ca -0.09 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3jrm s THR 127 Cb -0.08 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.93 3jrm s THR 127 CO -0.01 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 3jrm n GLY 128 N -0.04 0.05 0.35 3.99 0.00 -1.26 -1.15 105.19 107.13 3jrm n GLY 128 Ca -0.09 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 0.01 0.07 1.61 4.64 -1.58 0.19 113.55 118.49 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 0.01 -0.03 0.61 -0.87 0.00 0.00 176.83 176.54 3jrm n GLY 130 N -1.61 -0.50 0.29 -0.77 0.00 -0.49 -4.38 105.19 97.72 3jrm n GLY 130 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 1.26 0.51 0.03 1.61 4.64 -1.13 -2.27 113.55 118.20 3jrm h SER 131 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3jrm h SER 131 Cb 0.32 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3jrm h SER 131 CO 0.00 0.49 -0.09 -0.65 -0.87 0.00 0.00 176.83 175.71 3jrm h PRO 132 N 0.55 0.15 -0.29 4.77 0.11 -1.80 0.11 132.00 135.61 3jrm h PRO 132 Ca 0.13 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.04 3jrm h PRO 132 Cb 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3jrm h PRO 132 CO -0.01 0.25 -0.52 0.74 -0.21 0.00 0.00 178.00 178.25 3jrm h PHE 133 N 0.15 1.06 -0.42 0.65 0.04 -1.74 -2.38 116.94 114.29 3jrm h PHE 133 Ca 0.03 -0.37 -0.02 0.00 2.80 0.00 0.00 57.97 60.42 3jrm h PHE 133 Cb 0.25 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3jrm h PHE 133 CO 0.00 1.19 0.18 0.28 -0.60 0.00 0.00 178.31 179.36 3jrm h VAL 134 N 0.66 1.19 -0.47 -0.55 2.07 -1.17 -2.57 116.25 115.40 3jrm h VAL 134 Ca 0.02 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3jrm h VAL 134 Cb 1.12 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3jrm h VAL 134 CO 0.12 0.21 0.31 1.88 0.02 0.00 0.00 177.57 180.11 3jrm h TYR 135 N 0.54 0.54 0.42 1.57 0.05 -0.65 -0.11 116.97 119.33 3jrm h TYR 135 Ca 0.14 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 3jrm h TYR 135 Cb 0.16 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3jrm h TYR 135 CO -0.00 0.33 -0.20 0.78 -1.05 0.00 0.00 178.16 178.02 3jrm h GLY 136 N 0.58 -0.58 0.74 3.88 0.00 -1.05 -0.62 103.07 106.02 3jrm h GLY 136 Ca 0.18 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.76 3jrm h GLY 136 CO -0.04 -0.21 0.05 -2.08 0.00 0.00 0.00 176.54 174.26 3jrm h VAL 137 N -0.57 0.90 -0.52 4.60 2.07 -1.09 -2.57 116.25 119.06 3jrm h VAL 137 Ca -0.06 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3jrm h VAL 137 Cb 0.43 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3jrm h VAL 137 CO 0.09 0.03 0.16 -0.07 0.02 0.00 0.00 177.57 177.80 3jrm h LEU 138 N 0.15 0.76 -0.83 2.57 3.38 -0.98 -0.23 115.31 120.13 3jrm h LEU 138 Ca 0.11 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3jrm h LEU 138 Cb 0.10 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3jrm h LEU 138 CO -0.14 0.77 0.49 -0.33 0.09 0.00 0.00 178.44 179.32 3jrm h GLU 139 N 0.72 0.82 0.02 1.13 4.39 -0.97 -0.84 114.58 119.85 3jrm h GLU 139 Ca 0.17 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.59 3jrm h GLU 139 Cb 0.28 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3jrm h GLU 139 CO -0.00 0.55 -0.96 1.03 -1.16 0.00 0.00 179.01 178.46 3jrm h SER 140 N 0.85 0.46 0.00 1.42 0.87 -1.06 -3.40 113.55 112.68 3jrm h SER 140 Ca 0.39 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3jrm h SER 140 Cb 0.30 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3jrm h SER 140 CO -0.22 1.20 0.00 0.00 -0.53 0.00 0.00 176.83 177.28 3jrm n GLN 141 N -3.70 6.49 -2.66 2.24 6.02 -0.13 -5.03 117.38 120.60 3jrm n GLN 141 Ca -0.06 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 3jrm n GLN 141 Cb 0.85 -0.51 -0.04 0.00 1.02 0.00 0.00 30.24 31.57 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 -0.93 3.69 -0.02 1.08 5.04 -0.35 -5.03 117.35 120.83 3jrm s TYR 142 Ca 0.00 1.69 0.07 0.00 -2.44 0.00 0.00 57.07 56.39 3jrm s TYR 142 Cb 0.00 -3.14 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 3jrm s TYR 142 CO 0.00 -0.13 -0.24 0.45 -1.34 0.00 0.00 175.55 174.29 3jrm s SER 143 N 0.47 2.81 0.47 4.32 0.15 -1.26 -4.99 113.70 115.67 3jrm s SER 143 Ca 0.50 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 56.89 3jrm s SER 143 Cb -0.24 -0.32 1.15 0.00 -1.71 0.00 0.00 66.02 64.90 3jrm s SER 143 CO 0.30 0.29 2.00 -0.33 1.20 0.00 0.00 173.24 176.70 3jrm h GLU 144 N 5.55 0.25 -0.03 5.44 5.08 -1.96 -2.50 114.58 126.40 3jrm h GLU 144 Ca -0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3jrm h GLU 144 Cb 1.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3jrm h GLU 144 CO 0.47 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 3jrm n LYS 145 N -4.45 1.17 -1.96 2.33 5.02 -1.26 -4.31 118.16 114.70 3jrm n LYS 145 Ca 0.08 -0.26 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 3jrm n LYS 145 Cb 0.41 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.97 3.02 0.64 1.97 -1.94 -0.95 -5.02 119.30 115.05 3jrm s MET 146 Ca 0.34 1.93 -0.09 0.00 -1.71 0.00 0.00 55.69 56.16 3jrm s MET 146 Cb 0.16 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.98 3jrm s MET 146 CO 0.27 -1.20 1.01 0.95 -0.01 0.00 0.00 175.02 176.04 3jrm s THR 147 N -1.51 3.87 0.27 2.05 -4.23 -1.26 -4.69 115.64 110.14 3jrm s THR 147 Ca 0.76 0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 61.66 3jrm s THR 147 Cb -0.33 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.21 3jrm s THR 147 CO 0.37 -0.70 1.86 0.58 -0.54 0.00 0.00 174.62 176.19 3jrm h VAL 148 N -0.39 1.01 -0.77 2.29 2.07 -1.99 0.31 116.25 118.78 3jrm h VAL 148 Ca -0.45 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 3jrm h VAL 148 Cb 1.24 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3jrm h VAL 148 CO 0.62 0.20 0.27 0.44 0.02 0.00 0.00 177.57 179.12 3jrm h ASP 149 N 1.09 1.09 -0.50 0.57 3.32 -2.00 -0.71 116.42 119.28 3jrm h ASP 149 Ca 0.46 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3jrm h ASP 149 Cb 0.32 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3jrm h ASP 149 CO -0.22 0.99 0.04 -0.33 -1.72 0.00 0.00 179.24 178.01 3jrm h GLU 150 N 1.13 0.86 -0.11 3.56 5.08 -1.75 -2.46 114.58 120.89 3jrm h GLU 150 Ca 0.25 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3jrm h GLU 150 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3jrm h GLU 150 CO -0.01 0.87 0.03 0.78 -1.00 0.00 0.00 179.01 179.68 3jrm h GLY 151 N 0.73 0.13 0.59 -3.84 0.00 -0.62 0.09 103.07 100.15 3jrm h GLY 151 Ca 0.15 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.54 3jrm h GLY 151 CO 0.02 0.01 0.45 -2.08 0.00 0.00 0.00 176.54 174.94 3jrm h VAL 152 N 0.09 0.94 -0.60 4.60 2.07 -1.11 -0.83 116.25 121.42 3jrm h VAL 152 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3jrm h VAL 152 Cb 0.03 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3jrm h VAL 152 CO -0.05 0.14 0.32 0.44 0.02 0.00 0.00 177.57 178.44 3jrm h ASP 153 N 0.79 0.75 -0.40 0.57 3.32 -1.14 -2.12 116.42 118.19 3jrm h ASP 153 Ca 0.37 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3jrm h ASP 153 Cb 0.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3jrm h ASP 153 CO -0.22 0.63 0.25 0.25 -1.72 0.00 0.00 179.24 178.43 3jrm h LEU 154 N 0.81 0.47 -0.73 1.55 5.85 0.35 -0.99 115.31 122.62 3jrm h LEU 154 Ca 0.21 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 3jrm h LEU 154 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3jrm h LEU 154 CO -0.03 0.37 -0.34 -0.37 -0.34 0.00 0.00 178.44 177.73 3jrm h VAL 155 N 0.53 1.29 -0.69 1.05 -1.51 -1.17 -0.91 116.25 114.83 3jrm h VAL 155 Ca 0.14 -1.46 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 3jrm h VAL 155 Cb -0.03 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 3jrm h VAL 155 CO -0.03 0.47 0.43 0.40 -1.23 0.00 0.00 177.57 177.61 3jrm h ILE 156 N 0.50 1.19 -0.01 7.19 2.04 -0.93 -0.33 117.51 127.17 3jrm h ILE 156 Ca 0.06 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3jrm h ILE 156 Cb 0.82 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3jrm h ILE 156 CO 0.07 0.20 0.00 0.03 0.00 0.00 0.00 178.15 178.45 3jrm h ARG 157 N 0.94 0.01 -0.21 2.37 3.08 -0.81 -0.63 114.38 119.13 3jrm h ARG 157 Ca 0.25 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.35 3jrm h ARG 157 Cb -0.05 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 3jrm h ARG 157 CO -0.05 0.17 -0.11 0.00 -1.07 0.00 0.00 179.97 178.91 3jrm h ALA 158 N 0.84 0.06 -0.18 0.04 0.00 -0.86 -0.59 119.26 118.57 3jrm h ALA 158 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 158 Cb 0.16 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3jrm h ALA 158 CO -0.00 -0.54 -0.28 0.82 0.00 0.00 0.00 179.25 179.25 3jrm h ILE 159 N -0.09 1.26 -0.55 0.00 2.04 -1.03 -1.38 117.51 117.76 3jrm h ILE 159 Ca 0.12 -1.27 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 3jrm h ILE 159 Cb 0.27 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3jrm h ILE 159 CO -0.27 0.39 0.03 0.28 0.00 0.00 0.00 178.15 178.59 3jrm h SER 160 N 0.31 0.87 -0.15 1.72 0.02 -0.53 0.53 113.55 116.33 3jrm h SER 160 Ca 0.04 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3jrm h SER 160 Cb 0.66 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3jrm h SER 160 CO 0.05 0.92 0.03 0.00 -1.14 0.00 0.00 176.83 176.68 3jrm h ALA 161 N 1.18 0.20 -0.75 3.77 0.00 -0.82 -2.51 119.26 120.33 3jrm h ALA 161 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3jrm h ALA 161 Cb 0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3jrm h ALA 161 CO 0.02 -0.15 0.48 0.00 0.00 0.00 0.00 179.25 179.60 3jrm h ALA 162 N 0.81 0.97 -0.58 0.00 0.00 -0.94 -1.72 119.26 117.80 3jrm h ALA 162 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3jrm h ALA 162 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3jrm h ALA 162 CO 0.00 0.30 0.38 0.87 0.00 0.00 0.00 179.25 180.81 3jrm h LYS 163 N 0.96 0.70 0.00 0.00 1.57 -0.85 0.73 116.57 119.68 3jrm h LYS 163 Ca 0.29 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3jrm h LYS 163 Cb -0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3jrm h LYS 163 CO -0.09 0.46 -0.00 1.96 -0.57 0.00 0.00 179.45 181.21 3jrm h GLN 164 N 0.72 0.00 0.00 3.15 1.08 -0.86 -3.34 115.11 115.86 3jrm h GLN 164 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3jrm h GLN 164 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3jrm h GLN 164 CO -0.06 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.37 3jrm n ARG 165 N -3.10 -0.50 -3.94 1.46 5.12 -0.77 -4.97 116.66 109.96 3jrm n ARG 165 Ca 0.01 -0.30 -0.28 0.00 -1.93 0.00 0.00 57.85 55.34 3jrm n ARG 165 Cb 0.32 -0.80 -0.17 0.00 -1.16 0.00 0.00 32.46 30.65 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 -0.01 2.70 0.38 0.55 2.15 0.18 -4.98 116.67 117.64 3jrm s ASP 166 Ca 0.00 -0.56 0.26 0.00 0.43 0.00 0.00 52.55 52.68 3jrm s ASP 166 Cb 0.00 -0.99 0.73 0.00 -0.30 0.00 0.00 42.92 42.36 3jrm s ASP 166 CO 0.00 -0.13 1.74 0.77 -0.17 0.00 0.00 175.17 177.37 3jrm h SER 167 N 8.10 0.00 0.65 -0.34 4.64 -1.85 -2.41 113.55 122.34 3jrm h SER 167 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3jrm h SER 167 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3jrm h SER 167 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3jrm n ALA 168 N -1.98 2.32 -2.54 5.18 0.00 -1.26 -4.75 120.51 117.48 3jrm n ALA 168 Ca 0.04 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 3jrm n ALA 168 Cb 0.43 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.71 4.36 0.00 0.00 0.01 -0.91 -1.79 113.70 112.66 3jrm s SER 169 Ca 0.22 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.31 3jrm s SER 169 Cb 0.18 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.43 3jrm s SER 169 CO 0.44 0.32 0.00 0.61 0.41 0.00 0.00 173.24 175.02 3jrm n GLY 170 N 1.94 -0.14 0.48 3.44 0.00 -1.26 -4.71 105.19 104.94 3jrm n GLY 170 Ca -0.17 -1.00 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 -0.27 -3.01 3.77 -0.02 0.00 -1.26 -1.53 105.19 102.87 3jrm n GLY 171 Ca 0.00 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.54 4.09 0.19 1.61 1.75 -1.26 -4.63 119.30 120.49 3jrm s MET 172 Ca 0.00 2.35 -0.27 0.00 -1.25 0.00 0.00 55.69 56.51 3jrm s MET 172 Cb 0.00 -2.90 -0.08 0.00 2.84 0.00 0.00 34.83 34.69 3jrm s MET 172 CO 0.00 -0.46 0.85 0.42 -0.65 0.00 0.00 175.02 175.18 3jrm s ILE 173 N -1.17 4.27 -0.13 10.11 1.01 -1.26 -3.80 121.20 130.24 3jrm s ILE 173 Ca 0.54 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 63.06 3jrm s ILE 173 Cb -0.42 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 37.85 3jrm s ILE 173 CO 0.56 0.49 -0.09 -0.62 0.00 0.00 0.00 174.94 175.28 3jrm s ASP 174 N -1.03 2.36 -0.03 3.58 3.68 -0.37 -4.98 116.67 119.88 3jrm s ASP 174 Ca 0.39 -0.38 0.04 0.00 2.13 0.00 0.00 52.55 54.73 3jrm s ASP 174 Cb -0.24 -0.93 -0.01 0.00 -1.45 0.00 0.00 42.92 40.29 3jrm s ASP 174 CO 0.29 -0.11 -0.16 -0.69 0.13 0.00 0.00 175.17 174.63 3jrm s VAL 175 N 1.65 1.28 -0.04 1.11 1.01 -1.26 -1.56 120.40 122.59 3jrm s VAL 175 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3jrm s VAL 175 Cb -0.13 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3jrm s VAL 175 CO -0.09 0.37 -0.17 0.00 0.00 0.00 0.00 175.10 175.21 3jrm s ALA 176 N -0.15 1.50 -0.08 5.51 0.00 -0.04 -0.80 121.76 127.70 3jrm s ALA 176 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3jrm s ALA 176 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3jrm s ALA 176 CO 0.01 0.29 -0.07 0.08 0.00 0.00 0.00 175.76 176.06 3jrm s VAL 177 N -0.02 3.66 -0.22 0.00 1.01 0.09 -1.41 120.40 123.51 3jrm s VAL 177 Ca -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3jrm s VAL 177 Cb -0.11 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.81 3jrm s VAL 177 CO 0.02 0.58 -0.11 -0.63 0.00 0.00 0.00 175.10 174.95 3jrm s ILE 178 N -0.58 1.84 0.16 2.22 1.01 0.79 -0.91 121.20 125.72 3jrm s ILE 178 Ca 0.09 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.62 3jrm s ILE 178 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3jrm s ILE 178 CO 0.02 0.14 -0.16 0.42 0.00 0.00 0.00 174.94 175.36 3jrm s THR 179 N 1.30 1.65 0.13 2.92 -4.23 -0.77 -1.90 115.64 114.74 3jrm s THR 179 Ca -0.03 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 3jrm s THR 179 Cb -0.17 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 3jrm s THR 179 CO -0.08 -0.40 1.74 -0.09 -0.54 0.00 0.00 174.62 175.25 3jrm h ARG 180 N 3.21 0.13 0.24 3.99 9.65 -1.87 0.19 114.38 129.92 3jrm h ARG 180 Ca -0.41 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 3jrm h ARG 180 Cb 1.20 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3jrm h ARG 180 CO 0.53 0.08 -0.26 -0.22 2.80 0.00 0.00 179.97 182.90 3jrm h LYS 181 N 0.13 -0.52 -0.01 0.20 3.64 -1.96 -3.27 116.57 114.78 3jrm h LYS 181 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3jrm h LYS 181 Cb 0.10 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3jrm h LYS 181 CO -0.13 -0.35 -0.24 -0.25 -2.27 0.00 0.00 179.45 176.21 3jrm n ASP 182 N -5.38 1.80 0.00 4.20 8.00 -1.24 -5.10 116.55 118.83 3jrm n ASP 182 Ca -0.08 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3jrm n ASP 182 Cb 0.29 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.07 -0.19 3.57 0.44 0.00 0.68 -4.59 105.19 106.18 3jrm n GLY 183 Ca 0.07 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.15 -1.84 117.35 124.70 3jrm s TYR 184 Ca 0.00 0.38 -0.03 0.00 0.64 0.00 0.00 57.07 58.06 3jrm s TYR 184 Cb 0.00 -4.29 -0.02 0.00 0.42 0.00 0.00 41.96 38.07 3jrm s TYR 184 CO 0.00 -1.37 -0.06 0.08 0.64 0.00 0.00 175.55 174.84 3jrm s VAL 185 N 4.38 3.57 -0.24 3.14 1.01 -0.09 -4.99 120.40 127.19 3jrm s VAL 185 Ca 0.40 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 3jrm s VAL 185 Cb -0.09 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3jrm s VAL 185 CO 0.26 0.48 0.75 -1.58 0.00 0.00 0.00 175.10 175.00 3jrm s GLN 186 N 0.67 4.17 0.46 2.72 0.74 -1.26 -0.73 119.66 126.42 3jrm s GLN 186 Ca -0.03 0.79 -0.25 0.00 0.05 0.00 0.00 55.36 55.92 3jrm s GLN 186 Cb -0.15 -3.64 -0.08 0.00 1.10 0.00 0.00 33.01 30.24 3jrm s GLN 186 CO 0.02 -0.45 1.43 1.28 -0.55 0.00 0.00 175.29 177.02 3jrm n LEU 187 N 5.79 5.18 -4.78 3.68 4.77 0.02 -4.98 117.00 126.68 3jrm n LEU 187 Ca 0.03 1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 56.80 3jrm n LEU 187 Cb 0.48 -1.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.02 3jrm n LEU 187 CO 0.46 -0.17 0.72 -2.84 -1.33 0.00 0.00 177.39 174.23 3jrm s PRO 188 N -2.48 2.77 0.17 3.23 0.02 -1.26 -4.73 135.00 132.72 3jrm s PRO 188 Ca 0.62 1.26 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 3jrm s PRO 188 Cb -0.45 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 32.20 3jrm s PRO 188 CO 0.57 -1.26 1.75 1.15 -0.33 0.00 0.00 177.00 178.88 3jrm h THR 189 N -0.27 1.22 -0.70 0.99 2.02 -1.95 -2.60 112.91 111.62 3jrm h THR 189 Ca -0.46 -0.64 0.14 0.00 0.77 0.00 0.00 66.41 66.22 3jrm h THR 189 Cb 1.23 0.53 -0.13 0.00 -1.74 0.00 0.00 68.15 68.04 3jrm h THR 189 CO 0.54 0.26 -0.18 0.44 0.37 0.00 0.00 175.52 176.95 3jrm h ASP 190 N 0.82 -0.67 -0.45 4.18 5.19 -1.99 -1.28 116.42 122.23 3jrm h ASP 190 Ca 0.20 0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.72 3jrm h ASP 190 Cb 0.15 0.44 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3jrm h ASP 190 CO -0.02 -0.23 -0.14 -0.61 -3.12 0.00 0.00 179.24 175.12 3jrm h GLN 191 N -0.00 0.89 0.24 3.56 4.15 -1.87 -0.09 115.11 121.99 3jrm h GLN 191 Ca 0.33 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3jrm h GLN 191 Cb 0.51 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3jrm h GLN 191 CO -0.72 1.00 -0.11 0.82 -1.93 0.00 0.00 178.83 177.88 3jrm h ILE 192 N 0.73 0.82 -0.69 2.39 2.04 -1.15 -2.47 117.51 119.18 3jrm h ILE 192 Ca 0.11 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.70 3jrm h ILE 192 Cb 0.69 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 3jrm h ILE 192 CO 0.05 0.09 0.21 -0.33 0.00 0.00 0.00 178.15 178.17 3jrm h GLU 193 N -0.53 0.32 -0.39 2.37 5.08 -1.18 -0.96 114.58 119.30 3jrm h GLU 193 Ca -0.03 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3jrm h GLU 193 Cb 0.39 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3jrm h GLU 193 CO 0.05 0.21 -0.00 1.03 -1.00 0.00 0.00 179.01 179.30 3jrm h SER 194 N 0.33 -0.17 0.49 1.42 0.87 -0.89 -1.49 113.55 114.11 3jrm h SER 194 Ca 0.38 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.94 3jrm h SER 194 Cb 0.58 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3jrm h SER 194 CO -0.43 -0.05 -0.41 0.03 -0.53 0.00 0.00 176.83 175.44 3jrm h ARG 195 N 0.10 0.00 -0.43 2.24 3.08 -0.82 -0.44 114.38 118.10 3jrm h ARG 195 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3jrm h ARG 195 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3jrm h ARG 195 CO -0.33 0.41 0.27 0.82 -1.07 0.00 0.00 179.97 180.08 3jrm h ILE 196 N 0.00 1.13 0.33 2.04 2.04 -0.58 0.27 117.51 122.73 3jrm h ILE 196 Ca -0.00 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3jrm h ILE 196 Cb 0.77 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3jrm h ILE 196 CO 0.05 0.12 -0.16 0.03 0.00 0.00 0.00 178.15 178.20 3jrm h ARG 197 N 0.58 -0.42 -0.74 2.37 3.08 -0.86 -0.94 114.38 117.44 3jrm h ARG 197 Ca 0.16 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.35 3jrm h ARG 197 Cb -0.04 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3jrm h ARG 197 CO -0.03 -0.19 0.49 -0.22 -1.07 0.00 0.00 179.97 178.95 3jrm h LYS 198 N -0.59 0.53 0.00 0.04 3.64 -1.04 -0.22 116.57 118.93 3jrm h LYS 198 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3jrm h LYS 198 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3jrm h LYS 198 CO 0.07 0.35 -0.26 1.28 -2.27 0.00 0.00 179.45 178.63 3jrm n LEU 199 N -4.49 0.29 -2.06 5.20 4.77 0.08 -5.00 117.00 115.77 3jrm n LEU 199 Ca 0.13 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 3jrm n LEU 199 Cb 0.42 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3jrm n LEU 199 CO 0.32 0.05 0.09 0.61 -1.33 0.00 0.00 177.39 177.13 3jrm n GLY 200 N 1.49 -0.76 0.00 -0.72 0.00 -0.09 -5.07 105.19 100.04 3jrm n GLY 200 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.96 0.00 0.00 0.99 4.77 -0.89 -5.03 117.00 115.87 3jrm n LEU 201 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3jrm n LEU 201 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3jrm n LEU 201 CO 0.19 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.87 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