#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gml s TYR 8 N 0.00 0.32 -0.21 3.10 1.51 -0.91 -5.00 117.35 116.15 3gml s TYR 8 Ca 0.00 -0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.99 3gml s TYR 8 Cb 0.00 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 3gml s TYR 8 CO 0.00 -0.11 0.02 0.99 -1.11 0.00 0.00 175.55 175.35 3gml s THR 9 N 0.79 4.17 -0.24 -0.71 2.01 -1.26 -1.10 115.64 119.29 3gml s THR 9 Ca -0.08 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 3gml s THR 9 Cb -0.11 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3gml s THR 9 CO -0.01 0.41 0.33 0.12 -0.69 0.00 0.00 174.62 174.78 3gml s PHE 10 N 1.01 3.30 -0.17 4.92 5.36 0.09 -0.41 117.98 132.08 3gml s PHE 10 Ca 0.03 0.42 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3gml s PHE 10 Cb -0.14 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.03 3gml s PHE 10 CO 0.02 -0.11 -0.11 1.03 -1.46 0.00 0.00 175.22 174.60 3gml s ARG 11 N 1.64 3.34 -0.25 10.12 0.52 -0.19 -1.77 118.95 132.36 3gml s ARG 11 Ca 0.14 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3gml s ARG 11 Cb -0.15 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3gml s ARG 11 CO 0.08 0.03 0.01 0.00 0.02 0.00 0.00 175.30 175.44 3gml s LEU 13 N 1.48 2.86 -0.15 0.00 1.43 0.64 -1.38 118.68 123.56 3gml s LEU 13 Ca 0.04 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3gml s LEU 13 Cb -0.16 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3gml s LEU 13 CO -0.01 -0.07 -0.03 -1.58 0.23 0.00 0.00 176.35 174.89 3gml s GLN 14 N 1.36 3.59 -0.15 1.70 0.74 0.62 -0.95 119.66 126.56 3gml s GLN 14 Ca 0.03 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.93 3gml s GLN 14 Cb -0.15 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.08 3gml s GLN 14 CO -0.06 0.30 -0.11 0.00 -0.55 0.00 0.00 175.29 174.87 3gml s MET 15 N 0.20 1.96 -0.08 1.67 0.23 0.95 -0.96 119.30 123.26 3gml s MET 15 Ca -0.02 -0.50 0.04 0.00 -1.03 0.00 0.00 55.69 54.19 3gml s MET 15 Cb -0.14 -1.98 -0.00 0.00 -1.53 0.00 0.00 34.83 31.18 3gml s MET 15 CO 0.03 -0.29 -0.22 -1.12 -2.03 0.00 0.00 175.02 171.39 3gml s SER 16 N 1.56 2.84 -0.12 -1.18 0.01 0.88 -1.32 113.70 116.37 3gml s SER 16 Ca 0.04 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.82 3gml s SER 16 Cb -0.13 -1.15 -0.00 0.00 0.21 0.00 0.00 66.02 64.94 3gml s SER 16 CO -0.09 0.16 -0.20 -0.44 0.41 0.00 0.00 173.24 173.07 3gml s SER 17 N 0.25 3.37 -0.29 2.44 0.01 -0.00 -0.62 113.70 118.86 3gml s SER 17 Ca -0.14 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.63 3gml s SER 17 Cb -0.16 -1.48 0.06 0.00 0.21 0.00 0.00 66.02 64.65 3gml s SER 17 CO 0.07 0.15 -0.03 -0.36 0.41 0.00 0.00 173.24 173.47 3gml s PHE 18 N 0.43 3.34 0.00 2.43 0.40 0.85 -1.15 117.98 124.28 3gml s PHE 18 Ca -0.15 -2.25 -0.05 0.00 -0.60 0.00 0.00 56.93 53.89 3gml s PHE 18 Cb -0.17 -2.18 -0.29 0.00 0.51 0.00 0.00 43.02 40.89 3gml s PHE 18 CO 0.06 -0.87 0.85 0.00 0.70 0.00 0.00 175.22 175.97 3gml h ALA 19 N 7.85 0.21 -2.38 5.36 0.00 -1.45 0.21 119.26 129.06 3gml h ALA 19 Ca -0.18 -1.09 0.24 0.00 0.00 0.00 0.00 54.91 53.88 3gml h ALA 19 Cb 1.05 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3gml h ALA 19 CO 0.51 1.08 0.72 0.54 0.00 0.00 0.00 179.25 182.10 3gml s ASN 20 N -7.08 0.01 0.60 0.00 2.20 -1.23 -4.27 114.94 105.18 3gml s ASN 20 Ca -0.10 -0.49 0.28 0.00 -0.94 0.00 0.00 52.86 51.61 3gml s ASN 20 Cb 0.06 0.36 1.44 0.00 -2.00 0.00 0.00 41.25 41.11 3gml s ASN 20 CO 0.86 -0.71 1.84 0.03 -2.94 0.00 0.00 177.10 176.18 3gml h ARG 21 N 2.00 0.00 -0.07 3.55 3.08 -2.00 -2.48 114.38 118.47 3gml h ARG 21 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3gml h ARG 21 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3gml h ARG 21 CO 0.34 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.67 3gml n SER 22 N -3.53 2.45 -3.70 7.04 7.64 -1.26 -4.97 113.62 117.29 3gml n SER 22 Ca 0.08 -1.71 -0.15 0.00 1.01 0.00 0.00 58.87 58.10 3gml n SER 22 Cb 0.69 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.70 3gml n SER 22 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3gml s TRP 23 N -1.31 -0.20 0.20 1.43 -0.00 -0.93 -5.09 118.94 113.03 3gml s TRP 23 Ca 0.20 0.60 -0.19 0.00 -0.00 0.00 0.00 56.10 56.72 3gml s TRP 23 Cb 0.14 -0.17 0.04 0.00 -0.00 0.00 0.00 33.47 33.47 3gml s TRP 23 CO 0.20 -0.24 0.57 -1.54 -0.00 0.00 0.00 176.95 175.94 3gml s SER 24 N 1.90 -0.34 -0.03 5.86 1.04 -1.26 -1.25 113.70 119.63 3gml s SER 24 Ca -0.02 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 3gml s SER 24 Cb -0.12 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3gml s SER 24 CO -0.06 -1.07 0.49 0.00 0.98 0.00 0.00 173.24 173.58 3gml s ARG 25 N -3.85 0.87 -0.07 4.02 1.70 -0.30 -4.99 118.95 116.33 3gml s ARG 25 Ca 0.07 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.37 3gml s ARG 25 Cb -0.02 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3gml s ARG 25 CO -0.04 -0.26 -0.13 0.99 -1.08 0.00 0.00 175.30 174.78 3gml s THR 26 N -1.32 1.20 0.00 4.99 2.01 -1.26 -0.82 115.64 120.44 3gml s THR 26 Ca -0.12 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3gml s THR 26 Cb -0.03 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 3gml s THR 26 CO 0.07 0.37 -0.08 -1.81 -0.69 0.00 0.00 174.62 172.47 3gml s ASP 27 N 0.71 0.99 0.15 3.53 1.11 -0.43 -2.17 116.67 120.56 3gml s ASP 27 Ca -0.13 -0.20 0.06 0.00 0.18 0.00 0.00 52.55 52.46 3gml s ASP 27 Cb -0.16 -0.09 -0.04 0.00 1.07 0.00 0.00 42.92 43.70 3gml s ASP 27 CO 0.03 0.07 -0.14 -0.44 1.18 0.00 0.00 175.17 175.87 3gml s SER 28 N -0.38 2.20 0.06 0.27 0.01 0.12 -0.03 113.70 115.94 3gml s SER 28 Ca 0.02 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3gml s SER 28 Cb -0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 3gml s SER 28 CO -0.00 -0.16 -0.07 0.68 0.41 0.00 0.00 173.24 174.11 3gml s VAL 29 N -2.45 0.53 -0.03 3.43 -7.23 -0.13 -0.54 120.40 113.98 3gml s VAL 29 Ca 0.14 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3gml s VAL 29 Cb -0.03 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.93 3gml s VAL 29 CO 0.04 -0.59 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.47 3gml s VAL 30 N -2.27 0.70 -0.00 1.32 1.01 -0.67 -0.26 120.40 120.23 3gml s VAL 30 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3gml s VAL 30 Cb -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3gml s VAL 30 CO -0.02 0.23 -0.20 0.26 0.00 0.00 0.00 175.10 175.37 3gml s TRP 31 N 0.30 1.75 -0.28 5.22 0.52 -0.20 -0.38 118.94 125.87 3gml s TRP 31 Ca -0.04 -0.34 -0.02 0.00 0.02 0.00 0.00 56.10 55.72 3gml s TRP 31 Cb -0.09 -1.11 0.04 0.00 -1.15 0.00 0.00 33.47 31.16 3gml s TRP 31 CO 0.00 -0.00 -0.01 -1.17 0.02 0.00 0.00 176.95 175.79 3gml s LEU 32 N -0.63 3.69 0.00 2.99 2.96 0.26 -1.02 118.68 126.93 3gml s LEU 32 Ca 0.07 -1.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.86 3gml s LEU 32 Cb -0.08 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3gml s LEU 32 CO -0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3gml n GLY 33 N 4.65 3.72 1.77 7.98 0.00 0.45 -1.65 105.19 122.11 3gml n GLY 33 Ca -0.14 0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3gml n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gml n ASP 34 N 5.87 5.39 -4.33 1.61 5.68 -1.26 -4.91 116.55 124.61 3gml n ASP 34 Ca 0.00 -2.79 -0.33 0.00 -0.50 0.00 0.00 54.79 51.17 3gml n ASP 34 Cb 0.00 -0.65 -0.15 0.00 -1.14 0.00 0.00 41.12 39.19 3gml n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3gml s LEU 35 N -2.49 2.67 0.13 -2.12 1.43 -0.66 -5.05 118.68 112.58 3gml s LEU 35 Ca 0.53 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 3gml s LEU 35 Cb 0.39 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 3gml s LEU 35 CO 0.18 0.11 1.17 -1.58 0.23 0.00 0.00 176.35 176.46 3gml s GLN 36 N 0.68 4.50 -0.05 1.70 0.74 -1.26 -0.57 119.66 125.39 3gml s GLN 36 Ca -0.06 1.77 0.08 0.00 0.05 0.00 0.00 55.36 57.21 3gml s GLN 36 Cb -0.15 -3.30 -0.12 0.00 1.10 0.00 0.00 33.01 30.53 3gml s GLN 36 CO 0.02 -0.11 0.11 0.25 -0.55 0.00 0.00 175.29 175.01 3gml n THR 37 N 3.10 0.31 -3.82 -0.34 -2.24 0.49 -4.60 114.28 107.19 3gml n THR 37 Ca 0.06 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 3gml n THR 37 Cb 0.46 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 3gml n THR 37 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gml s HIS 38 N -2.41 0.07 0.04 4.78 3.76 -1.18 -1.35 115.29 118.99 3gml s HIS 38 Ca -0.04 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 3gml s HIS 38 Cb 0.04 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.71 3gml s HIS 38 CO 0.37 -0.55 -0.08 -0.98 -0.85 0.00 0.00 174.74 172.65 3gml s ARG 39 N -3.56 0.52 -0.31 1.40 1.70 -0.73 -1.67 118.95 116.31 3gml s ARG 39 Ca 0.02 -0.71 -0.02 0.00 -0.47 0.00 0.00 55.73 54.55 3gml s ARG 39 Cb 0.03 -0.31 0.11 0.00 -0.57 0.00 0.00 34.95 34.21 3gml s ARG 39 CO -0.09 0.06 0.14 -0.46 -1.08 0.00 0.00 175.30 173.87 3gml s TRP 40 N -1.28 0.74 0.46 5.89 -0.00 0.30 -0.32 118.94 124.75 3gml s TRP 40 Ca -0.09 -1.27 -0.22 0.00 -0.00 0.00 0.00 56.10 54.52 3gml s TRP 40 Cb -0.09 -1.11 -0.07 0.00 -0.00 0.00 0.00 33.47 32.20 3gml s TRP 40 CO 0.00 -0.84 1.14 0.45 -0.00 0.00 0.00 176.95 177.70 3gml s SER 41 N 1.72 6.20 0.48 5.86 0.15 -1.26 -0.70 113.70 126.15 3gml s SER 41 Ca 0.11 2.23 0.21 0.00 0.70 0.00 0.00 55.95 59.20 3gml s SER 41 Cb -0.18 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 62.77 3gml s SER 41 CO -0.25 -0.89 1.97 -1.13 1.20 0.00 0.00 173.24 174.13 3gml h ASN 42 N 1.96 0.18 0.63 5.45 -1.24 -1.83 -2.07 115.58 118.66 3gml h ASN 42 Ca -0.49 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.53 3gml h ASN 42 Cb 1.24 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.27 3gml h ASN 42 CO 0.60 0.10 0.00 0.47 -1.29 0.00 0.00 177.43 177.31 3gml n ASP 43 N -4.42 0.00 -4.54 1.15 10.43 -1.26 -4.76 116.55 113.15 3gml n ASP 43 Ca 0.11 0.43 -0.34 0.00 2.57 0.00 0.00 54.79 57.57 3gml n ASP 43 Cb 0.55 -0.47 -0.12 0.00 1.84 0.00 0.00 41.12 42.93 3gml n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3gml s SER 44 N -2.94 4.60 0.31 -2.24 0.15 -0.78 -4.99 113.70 107.80 3gml s SER 44 Ca 0.11 -0.08 0.13 0.00 0.70 0.00 0.00 55.95 56.81 3gml s SER 44 Cb 0.13 -1.34 0.48 0.00 -1.71 0.00 0.00 66.02 63.57 3gml s SER 44 CO 0.35 0.30 1.66 0.00 1.20 0.00 0.00 173.24 176.75 3gml h ALA 45 N 5.72 1.02 -2.16 5.45 0.00 -1.85 -3.45 119.26 123.98 3gml h ALA 45 Ca -0.42 -0.48 -0.45 0.00 0.00 0.00 0.00 54.91 53.55 3gml h ALA 45 Cb 1.18 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 3gml h ALA 45 CO 0.55 0.66 -0.70 0.95 0.00 0.00 0.00 179.25 180.71 3gml s THR 46 N -3.66 1.59 0.08 0.00 -4.23 -1.26 -4.97 115.64 103.18 3gml s THR 46 Ca -0.01 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.06 3gml s THR 46 Cb 0.12 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 3gml s THR 46 CO 0.74 -0.45 0.93 -0.63 -0.54 0.00 0.00 174.62 174.67 3gml s ILE 47 N -3.06 4.61 -0.10 2.99 1.01 -1.26 -4.78 121.20 120.62 3gml s ILE 47 Ca 0.26 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.80 3gml s ILE 47 Cb 0.02 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3gml s ILE 47 CO 0.09 0.30 0.21 -0.44 0.00 0.00 0.00 174.94 175.09 3gml s SER 48 N 0.18 6.49 0.02 3.58 0.01 0.57 -4.98 113.70 119.56 3gml s SER 48 Ca 0.46 0.58 -0.24 0.00 1.31 0.00 0.00 55.95 58.07 3gml s SER 48 Cb -0.22 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 3gml s SER 48 CO 0.28 0.37 0.71 -0.36 0.41 0.00 0.00 173.24 174.65 3gml s PHE 49 N -0.93 3.70 -1.80 2.43 0.08 -1.26 -1.77 117.98 118.43 3gml s PHE 49 Ca 0.17 1.38 0.16 0.00 0.12 0.00 0.00 56.93 58.75 3gml s PHE 49 Cb -0.13 -2.76 0.20 0.00 -0.57 0.00 0.00 43.02 39.75 3gml s PHE 49 CO 0.06 0.27 1.08 0.25 -0.10 0.00 0.00 175.22 176.79 3gml n THR 50 N 2.90 0.24 -4.14 0.64 -2.24 -0.46 -4.90 114.28 106.32 3gml n THR 50 Ca -0.03 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 3gml n THR 50 Cb 0.51 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3gml n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gml s LYS 51 N -1.23 0.74 0.50 -0.78 -0.14 -1.25 -4.92 119.74 112.66 3gml s LYS 51 Ca 0.22 -1.24 0.33 0.00 -1.36 0.00 0.00 55.97 53.92 3gml s LYS 51 Cb 0.14 -0.10 1.51 0.00 -1.68 0.00 0.00 37.83 37.69 3gml s LYS 51 CO 0.20 -0.03 1.99 -1.00 -0.76 0.00 0.00 175.35 175.75 3gml h PRO 52 N 3.19 0.00 -0.40 -1.68 0.13 -1.96 -2.86 132.00 128.42 3gml h PRO 52 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3gml h PRO 52 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gml h PRO 52 CO 0.62 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.72 3gml n TRP 53 N -2.85 1.08 0.31 1.56 4.27 -1.26 -4.68 117.44 115.87 3gml n TRP 53 Ca -0.00 -0.72 0.20 0.00 -3.89 0.00 0.00 57.50 53.09 3gml n TRP 53 Cb 0.22 -0.26 0.98 0.00 -1.36 0.00 0.00 31.31 30.89 3gml n TRP 53 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3gml h SER 54 N 2.59 0.00 0.16 -0.67 0.02 -1.79 -0.10 113.55 113.77 3gml h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gml h SER 54 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3gml h SER 54 CO 0.21 0.00 -0.06 1.67 -1.14 0.00 0.00 176.83 177.50 3gml n GLN 55 N -2.95 1.05 0.00 3.45 7.27 -1.26 -5.00 117.38 119.94 3gml n GLN 55 Ca -0.02 -0.41 0.00 0.00 0.07 0.00 0.00 57.00 56.64 3gml n GLN 55 Cb 0.14 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.30 3gml n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gml n GLY 56 N 1.19 2.78 1.17 1.69 0.00 -0.05 -2.31 105.19 109.66 3gml n GLY 56 Ca 0.18 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3gml n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gml n LYS 57 N 13.69 3.23 -2.60 1.61 5.02 -1.26 -4.87 118.16 132.98 3gml n LYS 57 Ca 0.00 -2.61 -0.40 0.00 -2.02 0.00 0.00 58.31 53.28 3gml n LYS 57 Cb 0.00 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 3gml n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gml s LEU 58 N -1.64 4.54 0.76 -0.35 1.43 -0.98 -5.05 118.68 117.40 3gml s LEU 58 Ca 0.41 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 3gml s LEU 58 Cb 0.26 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.84 3gml s LEU 58 CO 0.21 -0.05 1.09 -0.94 0.23 0.00 0.00 176.35 176.88 3gml s SER 59 N -1.10 4.67 0.28 2.29 1.04 -1.26 -4.77 113.70 114.85 3gml s SER 59 Ca 0.45 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.68 3gml s SER 59 Cb -0.28 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 63.91 3gml s SER 59 CO 0.35 -1.92 1.79 0.78 0.98 0.00 0.00 173.24 175.22 3gml h ASN 60 N -1.04 0.73 -0.55 7.02 4.21 -1.98 0.20 115.58 124.17 3gml h ASN 60 Ca -0.44 0.08 -0.09 0.00 1.21 0.00 0.00 56.30 57.06 3gml h ASN 60 Cb 1.23 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 3gml h ASN 60 CO 0.52 0.33 0.01 -0.61 -1.29 0.00 0.00 177.43 176.39 3gml h GLN 61 N 0.78 0.99 -0.12 0.81 4.15 -1.99 0.32 115.11 120.05 3gml h GLN 61 Ca 0.50 -0.29 -0.18 0.00 0.77 0.00 0.00 58.65 59.45 3gml h GLN 61 Cb 0.65 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 3gml h GLN 61 CO -0.33 0.96 -0.67 1.96 -1.93 0.00 0.00 178.83 178.82 3gml h GLN 62 N 0.91 0.49 -0.49 1.69 4.20 -1.48 -2.26 115.11 118.18 3gml h GLN 62 Ca 0.17 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 3gml h GLN 62 Cb 0.51 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3gml h GLN 62 CO 0.02 0.99 0.11 2.35 -0.67 0.00 0.00 178.83 181.63 3gml h TRP 63 N 0.35 0.83 -0.78 2.96 2.91 -0.55 -1.98 115.95 119.68 3gml h TRP 63 Ca -0.02 -0.10 0.03 0.00 1.13 0.00 0.00 58.89 59.93 3gml h TRP 63 Cb 1.24 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.61 3gml h TRP 63 CO 0.05 0.75 0.52 0.93 -1.03 0.00 0.00 178.44 179.66 3gml h GLU 64 N 0.67 0.95 -0.23 2.65 4.39 -0.67 0.10 114.58 122.44 3gml h GLU 64 Ca 0.15 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 3gml h GLU 64 Cb 0.35 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3gml h GLU 64 CO 0.00 0.63 -0.45 0.87 -1.16 0.00 0.00 179.01 178.91 3gml h LYS 65 N 0.98 0.71 -0.45 2.33 1.57 -0.98 0.98 116.57 121.71 3gml h LYS 65 Ca 0.31 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 3gml h LYS 65 Cb 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3gml h LYS 65 CO -0.09 1.08 -0.11 1.25 -0.57 0.00 0.00 179.45 181.01 3gml h LEU 66 N 0.42 0.88 -0.76 2.94 5.85 -0.95 -1.61 115.31 122.08 3gml h LEU 66 Ca 0.01 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 3gml h LEU 66 Cb 1.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3gml h LEU 66 CO 0.10 1.04 0.29 -0.61 -0.34 0.00 0.00 178.44 178.93 3gml h GLN 67 N 0.71 1.14 -0.54 1.25 4.15 -0.72 -2.67 115.11 118.43 3gml h GLN 67 Ca 0.11 -0.21 0.07 0.00 0.77 0.00 0.00 58.65 59.39 3gml h GLN 67 Cb 0.66 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 3gml h GLN 67 CO 0.05 0.94 0.22 1.25 -1.93 0.00 0.00 178.83 179.36 3gml h HIS 68 N 1.10 0.40 -0.90 3.99 2.76 -0.58 0.20 115.15 122.12 3gml h HIS 68 Ca 0.25 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 3gml h HIS 68 Cb 0.23 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 3gml h HIS 68 CO 0.02 0.15 0.57 1.98 -1.30 0.00 0.00 177.93 179.34 3gml h MET 69 N 0.43 1.02 -0.01 5.26 1.85 -1.04 -0.54 114.93 121.89 3gml h MET 69 Ca 0.26 -0.06 -0.15 0.00 -0.61 0.00 0.00 59.70 59.13 3gml h MET 69 Cb 0.26 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3gml h MET 69 CO -0.24 0.68 -0.71 0.74 -0.40 0.00 0.00 176.91 176.98 3gml h PHE 70 N 1.05 0.08 -0.36 1.39 0.04 -1.10 -0.49 116.94 117.56 3gml h PHE 70 Ca 0.38 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 3gml h PHE 70 Cb 0.13 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3gml h PHE 70 CO -0.02 0.74 0.12 1.96 -0.60 0.00 0.00 178.31 180.51 3gml h GLN 71 N 0.04 0.56 -0.78 1.51 4.20 -0.07 0.16 115.11 120.73 3gml h GLN 71 Ca -0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3gml h GLN 71 Cb 1.25 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 3gml h GLN 71 CO 0.10 0.58 0.44 0.28 -0.67 0.00 0.00 178.83 179.55 3gml h VAL 72 N 0.44 1.23 -0.31 -0.54 2.07 -0.96 -2.95 116.25 115.22 3gml h VAL 72 Ca 0.12 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3gml h VAL 72 Cb 0.25 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3gml h VAL 72 CO -0.00 0.25 0.20 0.22 0.02 0.00 0.00 177.57 178.26 3gml h TYR 73 N 1.08 0.40 -0.40 1.57 3.20 -0.74 -0.19 116.97 121.88 3gml h TYR 73 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 3gml h TYR 73 Cb 0.01 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3gml h TYR 73 CO -0.00 0.26 0.25 -0.09 -1.64 0.00 0.00 178.16 176.94 3gml h ARG 74 N 0.41 0.50 -0.55 1.82 2.43 -0.56 0.43 114.38 118.86 3gml h ARG 74 Ca 0.11 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3gml h ARG 74 Cb -0.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3gml h ARG 74 CO -0.02 0.33 0.14 0.28 -1.51 0.00 0.00 179.97 179.19 3gml h VAL 75 N 0.52 1.24 -0.23 0.20 2.07 -1.41 -2.22 116.25 116.43 3gml h VAL 75 Ca 0.15 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3gml h VAL 75 Cb -0.04 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3gml h VAL 75 CO -0.05 0.32 0.05 0.28 0.02 0.00 0.00 177.57 178.19 3gml h SER 76 N 0.78 0.35 -0.12 0.57 0.02 -0.24 -1.41 113.55 113.50 3gml h SER 76 Ca 0.18 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3gml h SER 76 Cb 0.33 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3gml h SER 76 CO 0.00 0.51 -0.09 0.15 -1.14 0.00 0.00 176.83 176.26 3gml h PHE 77 N 0.18 -0.22 -0.76 3.45 3.04 -0.19 0.33 116.94 122.78 3gml h PHE 77 Ca 0.07 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 3gml h PHE 77 Cb 0.30 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 3gml h PHE 77 CO 0.02 -0.14 0.45 1.15 -2.02 0.00 0.00 178.31 177.77 3gml h THR 78 N -0.10 1.22 -0.53 4.41 2.02 -1.18 -1.76 112.91 116.99 3gml h THR 78 Ca 0.08 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3gml h THR 78 Cb 0.21 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3gml h THR 78 CO -0.18 0.23 -0.01 -0.09 0.37 0.00 0.00 175.52 175.84 3gml h ARG 79 N 1.05 0.94 -0.20 6.66 2.43 -0.81 -1.63 114.38 122.82 3gml h ARG 79 Ca 0.27 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3gml h ARG 79 Cb -0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3gml h ARG 79 CO -0.05 0.96 0.02 -0.44 -1.51 0.00 0.00 179.97 178.95 3gml h ASP 80 N 0.82 -0.04 -0.35 -3.80 3.32 -0.76 0.31 116.42 115.91 3gml h ASP 80 Ca 0.15 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3gml h ASP 80 Cb 0.55 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3gml h ASP 80 CO 0.03 0.01 -0.14 0.40 -1.72 0.00 0.00 179.24 177.81 3gml h ILE 81 N 0.08 1.28 -0.42 0.35 1.08 -1.22 -0.34 117.51 118.33 3gml h ILE 81 Ca 0.09 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.27 3gml h ILE 81 Cb 0.10 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3gml h ILE 81 CO -0.14 0.41 0.10 1.56 -0.69 0.00 0.00 178.15 179.39 3gml h GLN 82 N 0.51 0.62 -0.35 2.37 4.20 -0.90 -0.63 115.11 120.93 3gml h GLN 82 Ca 0.08 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 3gml h GLN 82 Cb 0.67 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3gml h GLN 82 CO 0.05 0.57 -0.44 0.93 -0.67 0.00 0.00 178.83 179.27 3gml h GLU 83 N 0.61 0.91 -0.25 1.46 4.39 -0.09 -2.50 114.58 119.10 3gml h GLU 83 Ca 0.14 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 3gml h GLU 83 Cb 0.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3gml h GLU 83 CO -0.00 1.16 0.11 1.25 -1.16 0.00 0.00 179.01 180.37 3gml h LEU 84 N 0.73 0.33 -0.97 1.33 5.85 -0.62 -0.56 115.31 121.40 3gml h LEU 84 Ca 0.05 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3gml h LEU 84 Cb 1.04 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 3gml h LEU 84 CO 0.10 0.38 0.64 0.58 -0.34 0.00 0.00 178.44 179.80 3gml h VAL 85 N 0.26 1.21 -0.60 1.05 2.07 -1.11 -0.97 116.25 118.17 3gml h VAL 85 Ca 0.08 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gml h VAL 85 Cb 0.15 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3gml h VAL 85 CO -0.01 0.23 0.38 0.11 0.02 0.00 0.00 177.57 178.31 3gml h LYS 86 N 1.27 0.80 -0.18 1.57 1.57 -1.12 -0.71 116.57 119.78 3gml h LYS 86 Ca 0.37 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 3gml h LYS 86 Cb -0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3gml h LYS 86 CO -0.10 0.55 -0.43 1.98 -0.57 0.00 0.00 179.45 180.88 3gml h MET 87 N 0.81 0.43 0.00 3.15 4.05 -0.54 -2.89 114.93 119.93 3gml h MET 87 Ca 0.22 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3gml h MET 87 Cb -0.06 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3gml h MET 87 CO -0.04 0.78 -0.29 -1.33 0.23 0.00 0.00 176.91 176.26 3gml n MET 88 N -4.01 0.24 -1.56 0.39 2.81 -0.42 -4.96 117.12 109.61 3gml n MET 88 Ca -0.02 0.13 -0.50 0.00 -1.81 0.00 0.00 57.70 55.51 3gml n MET 88 Cb 0.52 -1.71 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 3gml n MET 88 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gml n SER 89 N -2.09 1.03 -1.71 7.83 2.88 -0.30 -1.31 113.62 119.94 3gml n SER 89 Ca 0.05 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.62 3gml n SER 89 Cb 0.42 -1.17 0.22 0.00 -0.75 0.00 0.00 64.21 62.93 3gml n SER 89 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gml n PRO 90 N 1.69 2.44 0.18 -1.46 -0.04 -1.26 -4.96 135.00 131.59 3gml n PRO 90 Ca 0.16 -3.08 0.04 0.00 -0.04 0.00 0.00 63.50 60.58 3gml n PRO 90 Cb 0.23 -2.04 0.33 0.00 -0.04 0.00 0.00 33.50 31.98 3gml n PRO 90 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3gml h LYS 91 N 1.38 0.00 -3.35 0.54 1.57 -1.56 -3.36 116.57 111.78 3gml h LYS 91 Ca 0.38 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.51 3gml h LYS 91 Cb 2.24 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 34.15 3gml h LYS 91 CO 0.72 0.42 -0.60 -1.21 -0.57 0.00 0.00 179.45 178.21 3gml s GLU 92 N -3.77 2.09 0.77 3.15 0.41 -1.26 -5.10 118.70 115.00 3gml s GLU 92 Ca -0.01 -2.73 -0.11 0.00 -0.41 0.00 0.00 54.97 51.71 3gml s GLU 92 Cb 0.12 -3.36 0.05 0.00 -1.78 0.00 0.00 34.13 29.16 3gml s GLU 92 CO 0.71 -1.14 1.08 -0.51 -0.49 0.00 0.00 175.26 174.91 3gml s ASP 93 N -0.40 4.60 0.67 -0.19 1.11 -1.26 -4.87 116.67 116.33 3gml s ASP 93 Ca 0.18 1.66 -0.11 0.00 0.18 0.00 0.00 52.55 54.46 3gml s ASP 93 Cb -0.23 -2.41 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3gml s ASP 93 CO -0.02 -1.95 1.07 -0.31 1.18 0.00 0.00 175.17 175.13 3gml s TYR 94 N -2.98 3.43 0.51 4.23 4.12 -1.26 -4.67 117.35 120.73 3gml s TYR 94 Ca 0.61 1.16 -0.17 0.00 0.02 0.00 0.00 57.07 58.68 3gml s TYR 94 Cb -0.16 -2.92 -0.08 0.00 -1.52 0.00 0.00 41.96 37.28 3gml s TYR 94 CO 0.56 -1.00 0.99 -1.25 0.02 0.00 0.00 175.55 174.86 3gml s PRO 95 N -5.27 3.93 -0.02 -1.71 0.04 -1.26 -5.04 135.00 125.68 3gml s PRO 95 Ca 0.57 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.67 3gml s PRO 95 Cb -0.11 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3gml s PRO 95 CO 0.53 -0.29 -0.11 0.42 0.04 0.00 0.00 177.00 177.59 3gml s ILE 96 N -2.51 0.94 -0.07 0.56 1.01 0.06 -4.99 121.20 116.21 3gml s ILE 96 Ca 0.60 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.82 3gml s ILE 96 Cb -0.11 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3gml s ILE 96 CO 0.28 0.28 -0.21 -0.70 0.00 0.00 0.00 174.94 174.59 3gml s GLU 97 N -0.03 2.47 -0.05 2.79 2.56 -1.26 -0.10 118.70 125.07 3gml s GLU 97 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 54.97 54.25 3gml s GLU 97 Cb -0.07 -1.98 0.00 0.00 2.00 0.00 0.00 34.13 34.08 3gml s GLU 97 CO 0.00 0.21 -0.15 0.42 -0.56 0.00 0.00 175.26 175.18 3gml s ILE 98 N 0.23 1.31 -0.03 -3.70 1.01 0.21 -0.98 121.20 119.25 3gml s ILE 98 Ca -0.12 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 59.99 3gml s ILE 98 Cb -0.15 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3gml s ILE 98 CO 0.06 0.39 -0.25 -1.10 0.00 0.00 0.00 174.94 174.04 3gml s GLN 99 N 0.31 2.10 -0.02 2.79 -0.21 -0.58 -0.08 119.66 123.96 3gml s GLN 99 Ca -0.09 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.46 3gml s GLN 99 Cb -0.13 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 3gml s GLN 99 CO 0.03 0.50 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.34 3gml s LEU 100 N -0.49 2.02 -0.16 2.90 0.20 -0.14 -0.63 118.68 122.38 3gml s LEU 100 Ca 0.07 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.55 3gml s LEU 100 Cb -0.10 -0.98 0.03 0.00 -0.43 0.00 0.00 46.19 44.70 3gml s LEU 100 CO -0.00 0.22 -0.12 -0.55 -0.29 0.00 0.00 176.35 175.61 3gml s SER 101 N -0.37 2.82 0.02 3.68 0.15 0.22 -0.28 113.70 119.95 3gml s SER 101 Ca 0.05 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.13 3gml s SER 101 Cb -0.08 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.09 3gml s SER 101 CO -0.00 -0.10 -0.04 0.00 1.20 0.00 0.00 173.24 174.30 3gml s ALA 102 N 1.50 0.29 0.00 5.45 0.00 -0.48 -0.89 121.76 127.63 3gml s ALA 102 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3gml s ALA 102 Cb -0.14 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3gml s ALA 102 CO -0.10 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3gml n GLY 103 N 2.14 -0.52 3.40 0.00 0.00 -0.54 0.16 105.19 109.84 3gml n GLY 103 Ca -0.19 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3gml n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gml s GLU 105 N -0.74 4.09 -0.24 0.00 2.12 0.56 -0.73 118.70 123.77 3gml s GLU 105 Ca -0.08 -0.21 -0.10 0.00 0.36 0.00 0.00 54.97 54.94 3gml s GLU 105 Cb -0.03 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3gml s GLU 105 CO 0.05 0.07 0.16 -1.64 -0.54 0.00 0.00 175.26 173.36 3gml s MET 106 N 1.02 4.05 0.40 4.30 -1.94 -0.26 -1.76 119.30 125.11 3gml s MET 106 Ca 0.09 -0.28 0.07 0.00 -1.71 0.00 0.00 55.69 53.86 3gml s MET 106 Cb -0.13 -3.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.10 3gml s MET 106 CO 0.04 0.04 0.02 0.71 -0.01 0.00 0.00 175.02 175.83 3gml s TYR 107 N 1.10 2.52 0.11 -0.03 2.02 -0.83 -2.15 117.35 120.09 3gml s TYR 107 Ca 0.07 -0.63 -0.09 0.00 -0.37 0.00 0.00 57.07 56.05 3gml s TYR 107 Cb -0.14 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 3gml s TYR 107 CO 0.05 0.43 0.12 -2.30 -1.57 0.00 0.00 175.55 172.28 3gml n PRO 108 N -0.98 0.00 0.00 -1.71 -0.02 -1.26 -3.90 135.00 127.12 3gml n PRO 108 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3gml n PRO 108 Cb 0.66 -0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 3gml n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gml n GLY 109 N 0.82 -0.04 0.32 -1.23 0.00 -1.26 -3.93 105.19 99.87 3gml n GLY 109 Ca 0.06 -1.39 0.05 0.00 0.00 0.00 0.00 46.02 44.74 3gml n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gml n ASN 110 N 0.92 1.51 -3.40 1.61 3.02 -1.26 -5.07 115.26 112.58 3gml n ASN 110 Ca 0.00 -1.25 -0.36 0.00 -0.03 0.00 0.00 54.58 52.94 3gml n ASN 110 Cb 0.00 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 3gml n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gml n ALA 111 N 0.07 -2.50 -3.44 5.41 0.00 -1.25 -4.81 120.51 113.98 3gml n ALA 111 Ca 0.05 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 3gml n ALA 111 Cb 0.25 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3gml n ALA 111 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gml s SER 112 N -0.78 -0.54 -0.01 0.00 1.04 -1.26 -1.97 113.70 110.18 3gml s SER 112 Ca 0.49 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.95 3gml s SER 112 Cb -0.67 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3gml s SER 112 CO 0.45 -0.95 -0.17 -0.70 0.98 0.00 0.00 173.24 172.85 3gml s GLU 113 N -3.70 1.34 0.36 4.02 2.12 -0.72 -4.98 118.70 117.14 3gml s GLU 113 Ca 0.02 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.84 3gml s GLU 113 Cb -0.01 -1.30 -0.05 0.00 0.26 0.00 0.00 34.13 33.03 3gml s GLU 113 CO -0.12 0.36 0.10 -1.12 -0.54 0.00 0.00 175.26 173.94 3gml s SER 114 N -0.39 4.44 0.05 -1.70 0.01 -1.26 -0.32 113.70 114.52 3gml s SER 114 Ca 0.06 -0.93 -0.21 0.00 1.31 0.00 0.00 55.95 56.19 3gml s SER 114 Cb -0.06 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.62 3gml s SER 114 CO -0.01 -0.34 0.48 0.72 0.41 0.00 0.00 173.24 174.50 3gml s PHE 115 N -2.50 -0.36 -0.25 2.43 -0.71 -0.37 -4.97 117.98 111.25 3gml s PHE 115 Ca 0.37 0.37 -0.02 0.00 -1.04 0.00 0.00 56.93 56.61 3gml s PHE 115 Cb -0.00 0.29 0.13 0.00 -1.21 0.00 0.00 43.02 42.24 3gml s PHE 115 CO 0.21 -0.62 0.36 -1.17 -1.34 0.00 0.00 175.22 172.66 3gml s LEU 116 N -2.00 -0.56 0.05 -1.99 0.20 -1.26 -1.46 118.68 111.67 3gml s LEU 116 Ca -0.05 -0.02 0.08 0.00 0.69 0.00 0.00 54.13 54.82 3gml s LEU 116 Cb -0.01 0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 46.69 3gml s LEU 116 CO -0.02 -0.32 -0.20 -1.00 -0.29 0.00 0.00 176.35 174.52 3gml s HIS 117 N 2.50 2.50 -0.04 5.38 3.76 -0.07 -1.41 115.29 127.91 3gml s HIS 117 Ca 0.11 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 3gml s HIS 117 Cb -0.15 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.12 3gml s HIS 117 CO -0.19 0.25 -0.12 0.08 -0.85 0.00 0.00 174.74 173.90 3gml s VAL 118 N -0.93 1.09 0.12 -0.90 1.01 0.49 -0.61 120.40 120.67 3gml s VAL 118 Ca 0.14 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3gml s VAL 118 Cb -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3gml s VAL 118 CO 0.05 0.33 -0.22 0.00 0.00 0.00 0.00 175.10 175.27 3gml s ALA 119 N 0.33 2.55 -0.07 5.51 0.00 0.20 -0.57 121.76 129.71 3gml s ALA 119 Ca -0.07 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.51 3gml s ALA 119 Cb -0.12 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3gml s ALA 119 CO 0.02 0.57 -0.11 0.12 0.00 0.00 0.00 175.76 176.36 3gml s PHE 120 N -1.10 1.41 -1.58 0.00 5.36 0.01 -1.53 117.98 120.55 3gml s PHE 120 Ca 0.16 -0.54 -0.14 0.00 -0.96 0.00 0.00 56.93 55.45 3gml s PHE 120 Cb -0.10 -1.06 0.10 0.00 -0.34 0.00 0.00 43.02 41.62 3gml s PHE 120 CO 0.08 -0.31 0.86 1.04 -1.46 0.00 0.00 175.22 175.43 3gml n GLN 121 N 4.00 -4.49 -0.92 10.12 1.13 -0.15 -2.15 117.38 124.92 3gml n GLN 121 Ca -0.22 0.50 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 3gml n GLN 121 Cb 0.51 -5.27 0.00 0.00 0.11 0.00 0.00 30.24 25.60 3gml n GLN 121 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gml n GLY 122 N -1.60 0.75 3.05 1.08 0.00 -1.26 -5.03 105.19 102.18 3gml n GLY 122 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3gml n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gml s LYS 123 N -0.08 1.77 -0.07 1.61 2.20 -0.91 -5.07 119.74 119.19 3gml s LYS 123 Ca 0.00 -0.46 -0.35 0.00 -0.36 0.00 0.00 55.97 54.80 3gml s LYS 123 Cb 0.00 -1.46 -0.13 0.00 -1.51 0.00 0.00 37.83 34.74 3gml s LYS 123 CO 0.00 0.06 1.81 0.98 -0.36 0.00 0.00 175.35 177.84 3gml n TYR 124 N 3.71 2.27 0.00 4.03 9.36 -1.26 -0.81 117.16 134.45 3gml n TYR 124 Ca -0.22 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3gml n TYR 124 Cb 0.52 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 3gml n TYR 124 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 3gml n VAL 125 N 4.79 0.00 -3.96 2.97 0.24 0.27 -4.83 118.33 117.80 3gml n VAL 125 Ca 0.22 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.41 3gml n VAL 125 Cb 0.27 -0.57 -0.13 0.00 -1.47 0.00 0.00 33.84 31.94 3gml n VAL 125 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gml s VAL 126 N -1.68 0.13 0.16 3.34 1.01 -0.97 -0.05 120.40 122.34 3gml s VAL 126 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3gml s VAL 126 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3gml s VAL 126 CO 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 175.10 174.87 3gml s ARG 127 N -0.75 1.05 -0.19 2.72 1.70 -0.28 -0.38 118.95 122.83 3gml s ARG 127 Ca -0.07 -1.49 -0.09 0.00 -0.47 0.00 0.00 55.73 53.60 3gml s ARG 127 Cb -0.05 -0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.06 3gml s ARG 127 CO -0.00 -0.12 0.13 0.12 -1.08 0.00 0.00 175.30 174.35 3gml s PHE 128 N -3.68 3.45 -0.10 5.89 5.36 -0.50 -0.27 117.98 128.12 3gml s PHE 128 Ca 0.22 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 3gml s PHE 128 Cb 0.06 -2.12 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3gml s PHE 128 CO 0.02 0.37 0.22 -0.46 -1.46 0.00 0.00 175.22 173.91 3gml s TRP 129 N 0.11 -0.30 0.00 10.12 -0.11 0.06 -4.39 118.94 124.42 3gml s TRP 129 Ca 0.09 0.76 0.00 0.00 1.22 0.00 0.00 56.10 58.17 3gml s TRP 129 Cb -0.11 -0.05 0.00 0.00 -1.50 0.00 0.00 33.47 31.81 3gml s TRP 129 CO -0.01 -0.26 0.00 0.41 -4.62 0.00 0.00 176.95 172.47 3gml n GLY 130 N 4.73 1.70 0.01 5.86 0.00 -1.26 -2.41 105.19 113.81 3gml n GLY 130 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gml n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gml n THR 131 N 0.00 0.83 -3.99 2.61 -2.24 -1.26 -4.88 114.28 105.35 3gml n THR 131 Ca 0.00 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 60.85 3gml n THR 131 Cb 0.00 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 3gml n THR 131 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gml s SER 132 N -0.86 0.10 0.27 3.42 1.04 -1.01 -4.96 113.70 111.69 3gml s SER 132 Ca 0.01 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.29 3gml s SER 132 Cb 0.01 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 3gml s SER 132 CO 0.00 -0.85 0.85 0.26 0.98 0.00 0.00 173.24 174.48 3gml s TRP 133 N -3.97 3.71 -0.04 5.02 0.52 -1.26 -0.76 118.94 122.15 3gml s TRP 133 Ca 0.17 1.63 -0.02 0.00 0.02 0.00 0.00 56.10 57.91 3gml s TRP 133 Cb 0.04 -2.80 0.03 0.00 -1.15 0.00 0.00 33.47 29.60 3gml s TRP 133 CO -0.01 0.30 0.08 1.14 0.02 0.00 0.00 176.95 178.48 3gml s GLN 134 N -1.90 -0.01 0.42 4.98 -2.07 0.62 -4.94 119.66 116.77 3gml s GLN 134 Ca 0.46 0.33 -0.23 0.00 -1.82 0.00 0.00 55.36 54.10 3gml s GLN 134 Cb -0.19 -0.30 -0.09 0.00 -1.09 0.00 0.00 33.01 31.34 3gml s GLN 134 CO 0.23 -0.23 1.06 0.95 -1.32 0.00 0.00 175.29 175.98 3gml s THR 135 N 1.56 3.68 0.31 3.63 -4.23 -1.26 -1.13 115.64 118.20 3gml s THR 135 Ca -0.04 1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.65 3gml s THR 135 Cb -0.12 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 3gml s THR 135 CO -0.04 -0.04 0.59 0.68 -0.54 0.00 0.00 174.62 175.27 3gml s VAL 136 N -1.71 4.98 0.30 2.29 -7.23 0.93 -4.91 120.40 115.05 3gml s VAL 136 Ca 0.60 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.64 3gml s VAL 136 Cb -0.21 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 32.88 3gml s VAL 136 CO 0.27 -0.36 1.54 -2.84 -0.31 0.00 0.00 175.10 173.40 3gml s PRO 137 N -3.60 4.15 0.00 4.82 0.02 -1.26 -1.54 135.00 137.58 3gml s PRO 137 Ca 0.45 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3gml s PRO 137 Cb -0.11 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3gml s PRO 137 CO 0.30 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3gml n GLY 138 N 1.79 3.17 3.76 0.52 0.00 -1.26 -5.06 105.19 108.12 3gml n GLY 138 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3gml n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gml s ALA 139 N -2.80 2.47 0.44 4.61 0.00 -0.59 -4.95 121.76 120.94 3gml s ALA 139 Ca 0.00 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 3gml s ALA 139 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 3gml s ALA 139 CO 0.00 -1.26 1.29 -2.14 0.00 0.00 0.00 175.76 173.65 3gml s PRO 140 N -3.90 3.78 0.47 0.00 0.02 -1.26 -4.90 135.00 129.22 3gml s PRO 140 Ca 0.69 2.10 0.30 0.00 0.02 0.00 0.00 61.00 64.12 3gml s PRO 140 Cb -0.23 -2.60 1.11 0.00 0.02 0.00 0.00 34.50 32.81 3gml s PRO 140 CO 0.39 -0.63 1.87 0.66 -0.33 0.00 0.00 177.00 178.96 3gml h SER 141 N 2.33 0.00 0.44 2.53 4.64 -2.00 -2.38 113.55 119.11 3gml h SER 141 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3gml h SER 141 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gml h SER 141 CO 0.61 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.90 3gml n TRP 142 N -2.93 0.65 0.59 4.77 4.27 -1.26 -1.96 117.44 121.57 3gml n TRP 142 Ca 0.02 0.28 0.13 0.00 -3.89 0.00 0.00 57.50 54.04 3gml n TRP 142 Cb 0.34 -0.96 0.42 0.00 -1.36 0.00 0.00 31.31 29.75 3gml n TRP 142 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gml n LEU 143 N -2.12 0.81 -0.07 5.67 4.77 -0.90 -4.12 117.00 121.04 3gml n LEU 143 Ca 0.01 0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 3gml n LEU 143 Cb 0.15 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3gml n LEU 143 CO 0.15 -0.24 0.84 0.44 -1.33 0.00 0.00 177.39 177.25 3gml h ASP 144 N 0.00 0.33 0.09 -1.43 3.32 -1.59 -2.18 116.42 114.96 3gml h ASP 144 Ca 0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3gml h ASP 144 Cb 0.69 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3gml h ASP 144 CO 0.00 0.44 -0.04 0.25 -1.72 0.00 0.00 179.24 178.17 3gml h LEU 145 N 0.20 -0.10 -1.46 1.55 5.85 -1.79 -0.64 115.31 118.93 3gml h LEU 145 Ca 0.07 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.73 3gml h LEU 145 Cb 0.23 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3gml h LEU 145 CO -0.00 0.09 0.46 -0.65 -0.34 0.00 0.00 178.44 177.99 3gml h PRO 146 N -0.29 0.61 -0.31 5.25 0.11 -1.76 -1.10 132.00 134.51 3gml h PRO 146 Ca -0.01 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.89 3gml h PRO 146 Cb 0.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3gml h PRO 146 CO 0.02 0.40 -0.48 0.82 -0.21 0.00 0.00 178.00 178.56 3gml h ILE 147 N 0.63 1.28 -0.42 4.15 1.08 -1.16 0.25 117.51 123.32 3gml h ILE 147 Ca 0.31 -1.66 0.04 0.00 -0.39 0.00 0.00 64.86 63.15 3gml h ILE 147 Cb 0.40 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 3gml h ILE 147 CO -0.10 0.54 0.20 0.50 -0.69 0.00 0.00 178.15 178.60 3gml h LYS 148 N 0.67 0.39 -0.58 2.37 3.11 -0.58 0.15 116.57 122.10 3gml h LYS 148 Ca 0.03 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 3gml h LYS 148 Cb 1.07 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 3gml h LYS 148 CO 0.11 0.26 0.01 0.28 -2.81 0.00 0.00 179.45 177.30 3gml h VAL 149 N 0.41 1.26 -0.89 2.00 2.07 -1.05 -2.09 116.25 117.96 3gml h VAL 149 Ca 0.19 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3gml h VAL 149 Cb 0.11 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3gml h VAL 149 CO -0.14 0.41 0.50 0.25 0.02 0.00 0.00 177.57 178.61 3gml h LEU 150 N 0.92 1.09 -2.45 2.57 5.85 -0.58 -1.84 115.31 120.87 3gml h LEU 150 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3gml h LEU 150 Cb 0.54 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3gml h LEU 150 CO 0.03 0.86 0.00 0.78 -0.34 0.00 0.00 178.44 179.77 3gml h ASN 151 N 1.23 0.00 1.26 1.25 2.35 -0.00 -1.63 115.58 120.04 3gml h ASN 151 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3gml h ASN 151 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gml h ASN 151 CO -0.05 0.00 -0.08 0.00 -1.65 0.00 0.00 177.43 175.65 3gml n ALA 152 N -1.99 2.40 -2.74 -0.83 0.00 -0.69 -4.56 120.51 112.10 3gml n ALA 152 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3gml n ALA 152 Cb 0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 3gml n ALA 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gml s ASP 153 N -4.03 6.55 0.27 0.00 -1.08 -0.61 -4.83 116.67 112.94 3gml s ASP 153 Ca 0.11 -1.71 0.01 0.00 -0.52 0.00 0.00 52.55 50.43 3gml s ASP 153 Cb 0.14 -2.48 0.38 0.00 -1.46 0.00 0.00 42.92 39.50 3gml s ASP 153 CO 0.59 -1.30 1.73 1.56 0.52 0.00 0.00 175.17 178.28 3gml h GLN 154 N 9.33 0.60 -0.63 4.34 4.20 -1.85 -1.85 115.11 129.25 3gml h GLN 154 Ca 0.16 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gml h GLN 154 Cb 1.02 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 3gml h GLN 154 CO 1.27 0.74 0.40 0.78 -0.67 0.00 0.00 178.83 181.35 3gml h GLY 155 N 0.98 0.89 1.08 3.46 0.00 -1.97 0.25 103.07 107.76 3gml h GLY 155 Ca 0.09 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3gml h GLY 155 CO 0.04 0.34 -0.22 -0.84 0.00 0.00 0.00 176.54 175.86 3gml h THR 156 N 0.85 1.27 -0.76 4.70 2.02 -1.87 -1.16 112.91 117.96 3gml h THR 156 Ca 0.23 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 3gml h THR 156 Cb -0.07 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3gml h THR 156 CO -0.05 0.47 0.34 -1.28 0.37 0.00 0.00 175.52 175.38 3gml h SER 157 N 0.79 1.02 -0.49 4.18 0.87 -1.01 -0.41 113.55 118.51 3gml h SER 157 Ca 0.10 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 3gml h SER 157 Cb 0.80 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3gml h SER 157 CO 0.07 0.89 0.04 0.00 -0.53 0.00 0.00 176.83 177.30 3gml h ALA 158 N 1.17 0.66 -0.34 6.23 0.00 -0.75 -0.64 119.26 125.60 3gml h ALA 158 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gml h ALA 158 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gml h ALA 158 CO -0.03 0.43 0.22 1.15 0.00 0.00 0.00 179.25 181.02 3gml h THR 159 N 0.71 1.09 -0.44 0.00 2.02 -0.96 -1.11 112.91 114.21 3gml h THR 159 Ca 0.14 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3gml h THR 159 Cb 0.45 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3gml h THR 159 CO 0.02 0.09 0.07 0.58 0.37 0.00 0.00 175.52 176.65 3gml h VAL 160 N 0.46 1.24 -0.57 3.16 2.07 -0.89 -0.16 116.25 121.57 3gml h VAL 160 Ca 0.12 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3gml h VAL 160 Cb -0.05 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3gml h VAL 160 CO -0.03 0.31 0.26 1.56 0.02 0.00 0.00 177.57 179.69 3gml h GLN 161 N 0.59 0.47 0.01 1.57 4.20 -1.10 0.11 115.11 120.96 3gml h GLN 161 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3gml h GLN 161 Cb 0.38 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3gml h GLN 161 CO 0.01 0.31 -0.03 1.98 -0.67 0.00 0.00 178.83 180.43 3gml h MET 162 N 0.48 -0.05 -0.56 1.46 4.05 -0.96 0.88 114.93 120.23 3gml h MET 162 Ca 0.27 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.72 3gml h MET 162 Cb 0.24 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 3gml h MET 162 CO -0.22 -0.04 0.34 -0.07 0.23 0.00 0.00 176.91 177.15 3gml h LEU 163 N -0.06 0.54 0.01 3.39 3.38 -0.36 0.25 115.31 122.47 3gml h LEU 163 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gml h LEU 163 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gml h LEU 163 CO -0.02 0.38 -0.01 -0.07 0.09 0.00 0.00 178.44 178.81 3gml h LEU 164 N 0.67 -0.01 -0.07 1.67 3.38 -0.92 0.12 115.31 120.13 3gml h LEU 164 Ca 0.23 -0.73 -0.15 0.00 0.09 0.00 0.00 57.88 57.31 3gml h LEU 164 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3gml h LEU 164 CO -0.10 0.75 -0.73 0.78 0.09 0.00 0.00 178.44 179.23 3gml h ASN 165 N -0.79 0.00 0.00 -0.43 4.21 -0.80 -3.41 115.58 114.36 3gml h ASN 165 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3gml h ASN 165 Cb 0.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3gml h ASN 165 CO 0.00 0.73 -0.02 0.47 -1.29 0.00 0.00 177.43 177.32 3gml n ASP 166 N -3.32 0.69 -0.17 5.81 8.00 0.73 -4.74 116.55 123.56 3gml n ASP 166 Ca 0.01 0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.71 3gml n ASP 166 Cb 0.81 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 3gml n ASP 166 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gml h THR 167 N 0.00 0.99 0.59 -3.53 2.02 -1.13 -2.45 112.91 109.39 3gml h THR 167 Ca 0.00 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3gml h THR 167 Cb 0.02 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3gml h THR 167 CO 0.00 0.10 -0.39 0.00 0.37 0.00 0.00 175.52 175.60 3gml h PRO 169 N -0.93 0.78 -0.04 0.00 0.13 -1.78 -0.94 132.00 129.23 3gml h PRO 169 Ca -0.08 -0.15 0.02 0.00 -0.87 0.00 0.00 66.00 64.92 3gml h PRO 169 Cb 0.75 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3gml h PRO 169 CO 0.06 0.70 -0.08 1.25 -0.23 0.00 0.00 178.00 179.70 3gml h LEU 170 N 0.76 -0.24 -0.49 1.56 5.85 -1.32 -1.18 115.31 120.24 3gml h LEU 170 Ca 0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3gml h LEU 170 Cb 0.27 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3gml h LEU 170 CO -0.00 -0.12 0.27 0.15 -0.34 0.00 0.00 178.44 178.40 3gml h PHE 171 N -0.12 0.50 -0.46 1.25 3.57 -0.45 -2.57 116.94 118.66 3gml h PHE 171 Ca 0.05 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3gml h PHE 171 Cb 0.19 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3gml h PHE 171 CO -0.17 0.27 -0.08 0.28 -2.23 0.00 0.00 178.31 176.38 3gml h VAL 172 N 0.53 1.26 -0.98 1.41 2.07 -1.01 -0.18 116.25 119.34 3gml h VAL 172 Ca 0.20 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.67 3gml h VAL 172 Cb 0.07 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3gml h VAL 172 CO -0.12 0.40 0.63 0.03 0.02 0.00 0.00 177.57 178.53 3gml h ARG 173 N 0.74 1.01 -0.47 1.57 3.08 -0.97 0.14 114.38 119.50 3gml h ARG 173 Ca 0.13 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3gml h ARG 173 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gml h ARG 173 CO 0.03 0.67 -0.19 0.78 -1.07 0.00 0.00 179.97 180.20 3gml h GLY 174 N 1.04 1.00 0.95 0.04 0.00 -0.99 -2.40 103.07 102.71 3gml h GLY 174 Ca 0.45 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3gml h GLY 174 CO -0.21 0.77 0.04 1.41 0.00 0.00 0.00 176.54 178.55 3gml h LEU 175 N 0.80 0.68 -1.30 3.11 3.38 -0.33 0.10 115.31 121.76 3gml h LEU 175 Ca 0.11 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3gml h LEU 175 Cb 0.73 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gml h LEU 175 CO 0.06 0.79 -0.16 -0.07 0.09 0.00 0.00 178.44 179.15 3gml h LEU 176 N 0.55 0.27 -0.06 1.67 3.38 -0.64 0.13 115.31 120.61 3gml h LEU 176 Ca 0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3gml h LEU 176 Cb 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gml h LEU 176 CO 0.01 0.45 -0.12 -0.08 0.09 0.00 0.00 178.44 178.80 3gml h GLU 177 N 0.26 0.18 -0.02 1.13 4.81 -1.18 -3.09 114.58 116.67 3gml h GLU 177 Ca 0.05 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 3gml h GLU 177 Cb 0.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3gml h GLU 177 CO 0.03 0.71 -0.56 0.00 -0.73 0.00 0.00 179.01 178.45 3gml h ALA 178 N 0.48 1.03 -0.61 2.92 0.00 -0.68 -3.15 119.26 119.25 3gml h ALA 178 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gml h ALA 178 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gml h ALA 178 CO 0.03 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3gml n GLY 179 N 0.10 2.75 0.22 0.00 0.00 0.44 -4.73 105.19 103.97 3gml n GLY 179 Ca -0.02 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 3gml n GLY 179 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gml h LYS 180 N 4.00 -0.10 -0.00 1.61 3.64 -1.49 0.13 116.57 124.35 3gml h LYS 180 Ca 0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3gml h LYS 180 Cb 1.61 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 3gml h LYS 180 CO 0.32 -0.07 -0.25 0.66 -2.27 0.00 0.00 179.45 177.84 3gml h SER 181 N -0.10 0.00 0.00 4.20 4.64 -1.88 -0.00 113.55 120.41 3gml h SER 181 Ca 0.18 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 3gml h SER 181 Cb 0.37 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3gml h SER 181 CO -0.42 0.26 -0.77 0.44 -0.87 0.00 0.00 176.83 175.47 3gml h ASP 182 N 0.00 0.68 0.07 4.97 3.32 -1.57 -2.99 116.42 120.91 3gml h ASP 182 Ca -0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 57.03 56.23 3gml h ASP 182 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gml h ASP 182 CO 0.03 1.34 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.63 3gml h LEU 183 N 0.08 0.24 -3.07 1.55 3.38 -0.43 -2.46 115.31 114.59 3gml h LEU 183 Ca -0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gml h LEU 183 Cb 1.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3gml h LEU 183 CO 0.15 0.46 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 3gml n GLU 184 N -4.21 3.83 -1.63 1.13 1.02 -0.05 -4.99 120.64 115.75 3gml n GLU 184 Ca -0.01 -2.79 -0.35 0.00 -0.02 0.00 0.00 57.16 53.99 3gml n GLU 184 Cb 0.32 -1.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.87 3gml n GLU 184 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3gml s LYS 185 N -2.00 2.42 -0.17 3.49 -2.85 -0.93 -5.01 119.74 114.69 3gml s LYS 185 Ca 0.50 1.83 0.01 0.00 -1.00 0.00 0.00 55.97 57.31 3gml s LYS 185 Cb 0.33 -1.86 0.03 0.00 -2.06 0.00 0.00 37.83 34.27 3gml s LYS 185 CO 0.22 -1.64 -0.13 -0.65 0.10 0.00 0.00 175.35 173.25 3gml s GLN 186 N -3.68 2.26 -0.06 1.78 -1.52 -1.26 -4.00 119.66 113.19 3gml s GLN 186 Ca 0.77 -0.68 0.06 0.00 -1.95 0.00 0.00 55.36 53.55 3gml s GLN 186 Cb -0.31 -2.25 -0.01 0.00 -0.22 0.00 0.00 33.01 30.21 3gml s GLN 186 CO 0.41 -0.30 -0.24 -1.21 -0.25 0.00 0.00 175.29 173.70 3gml s GLU 187 N 1.44 2.54 0.08 2.91 0.41 0.57 -4.96 118.70 121.70 3gml s GLU 187 Ca 0.03 -0.88 -0.25 0.00 -0.41 0.00 0.00 54.97 53.45 3gml s GLU 187 Cb -0.14 -2.19 -0.06 0.00 -1.78 0.00 0.00 34.13 29.96 3gml s GLU 187 CO -0.10 0.41 0.77 0.15 -0.49 0.00 0.00 175.26 176.00 3gml s LYS 188 N -0.23 4.52 0.61 1.61 1.02 -1.25 -1.84 119.74 124.17 3gml s LYS 188 Ca -0.01 1.10 -0.17 0.00 0.02 0.00 0.00 55.97 56.90 3gml s LYS 188 Cb -0.13 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3gml s LYS 188 CO 0.03 0.38 1.13 -1.25 -0.92 0.00 0.00 175.35 174.72 3gml s PRO 189 N -0.42 3.01 0.12 -1.68 0.04 -1.26 -4.29 135.00 130.53 3gml s PRO 189 Ca 0.38 1.52 0.09 0.00 0.04 0.00 0.00 61.00 63.04 3gml s PRO 189 Cb -0.21 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3gml s PRO 189 CO 0.24 -1.11 -0.20 0.08 0.04 0.00 0.00 177.00 176.06 3gml s VAL 190 N -2.04 2.73 0.12 -0.36 1.01 0.01 -4.93 120.40 116.94 3gml s VAL 190 Ca 0.70 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3gml s VAL 190 Cb -0.23 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3gml s VAL 190 CO 0.35 0.09 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 3gml s ALA 191 N -1.13 1.49 0.09 5.51 0.00 -1.26 -0.99 121.76 125.47 3gml s ALA 191 Ca 0.17 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3gml s ALA 191 Cb -0.10 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3gml s ALA 191 CO 0.09 0.12 0.37 1.67 0.00 0.00 0.00 175.76 178.02 3gml s TRP 192 N -2.00 -0.17 0.06 0.00 -2.14 -0.32 -4.98 118.94 109.39 3gml s TRP 192 Ca 0.08 -0.06 0.04 0.00 2.66 0.00 0.00 56.10 58.82 3gml s TRP 192 Cb -0.06 0.20 -0.04 0.00 -3.10 0.00 0.00 33.47 30.47 3gml s TRP 192 CO 0.03 -0.63 -0.03 -0.51 -2.66 0.00 0.00 176.95 173.16 3gml s LEU 193 N -2.51 3.36 0.30 -4.66 1.43 -1.26 -0.33 118.68 115.00 3gml s LEU 193 Ca 0.00 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3gml s LEU 193 Cb 0.01 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3gml s LEU 193 CO -0.08 0.21 0.52 -0.94 0.23 0.00 0.00 176.35 176.29 3gml s SER 194 N -2.02 0.22 0.00 2.29 1.04 -0.64 -5.00 113.70 109.59 3gml s SER 194 Ca 0.23 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3gml s SER 194 Cb -0.11 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3gml s SER 194 CO 0.15 -1.27 0.00 -1.54 0.98 0.00 0.00 173.24 171.56 3gml n SER 195 N -0.84 0.00 -0.05 7.02 3.41 -1.26 -0.60 113.62 121.31 3gml n SER 195 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3gml n SER 195 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3gml n SER 195 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gml n HIS 203 N 0.00 -0.05 -3.84 7.33 -0.00 -1.26 -5.04 115.22 112.35 3gml n HIS 203 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 3gml n HIS 203 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 3gml n HIS 203 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3gml s ARG 204 N -0.02 2.03 -0.35 -1.40 1.70 0.94 -4.86 118.95 116.99 3gml s ARG 204 Ca 0.00 -1.26 -0.07 0.00 -0.47 0.00 0.00 55.73 53.94 3gml s ARG 204 Cb -0.00 0.61 0.04 0.00 -0.57 0.00 0.00 34.95 35.03 3gml s ARG 204 CO 0.01 -0.94 0.13 -1.14 -1.08 0.00 0.00 175.30 172.28 3gml s GLN 205 N -3.03 2.61 0.12 3.89 0.74 -1.26 0.12 119.66 122.86 3gml s GLN 205 Ca 0.14 -1.22 -0.23 0.00 0.05 0.00 0.00 55.36 54.10 3gml s GLN 205 Cb -0.05 -3.51 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 3gml s GLN 205 CO 0.10 -0.71 0.71 -0.51 -0.55 0.00 0.00 175.29 174.33 3gml s LEU 206 N 1.41 4.55 -0.12 3.68 1.43 0.13 -4.46 118.68 125.31 3gml s LEU 206 Ca -0.01 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 3gml s LEU 206 Cb -0.20 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.86 3gml s LEU 206 CO 0.03 0.20 -0.21 -0.69 0.23 0.00 0.00 176.35 175.90 3gml s VAL 207 N -0.96 1.96 -0.25 -1.59 1.01 0.23 -0.98 120.40 119.82 3gml s VAL 207 Ca 0.34 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3gml s VAL 207 Cb -0.22 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3gml s VAL 207 CO 0.24 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.94 3gml s HIS 209 N 1.60 3.36 -0.09 0.00 3.76 0.55 -1.36 115.29 123.11 3gml s HIS 209 Ca 0.06 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3gml s HIS 209 Cb -0.15 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.50 3gml s HIS 209 CO 0.03 0.33 -0.08 0.08 -0.85 0.00 0.00 174.74 174.25 3gml s VAL 210 N 0.03 0.96 0.01 -0.90 1.01 0.83 -1.18 120.40 121.17 3gml s VAL 210 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3gml s VAL 210 Cb -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3gml s VAL 210 CO 0.00 0.34 -0.00 -0.55 0.00 0.00 0.00 175.10 174.89 3gml s SER 211 N 1.37 0.17 0.00 3.32 0.15 -0.16 -0.75 113.70 117.80 3gml s SER 211 Ca -0.02 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.26 3gml s SER 211 Cb -0.14 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3gml s SER 211 CO -0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3gml n GLY 212 N 1.86 0.82 3.88 9.45 0.00 0.33 -0.81 105.19 120.72 3gml n GLY 212 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3gml n GLY 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gml s PHE 213 N -2.03 3.44 -0.26 1.61 -0.71 -1.17 -3.96 117.98 114.89 3gml s PHE 213 Ca 0.00 0.83 -0.20 0.00 -1.04 0.00 0.00 56.93 56.52 3gml s PHE 213 Cb 0.00 -2.23 0.07 0.00 -1.21 0.00 0.00 43.02 39.65 3gml s PHE 213 CO 0.00 0.22 0.67 -0.47 -1.34 0.00 0.00 175.22 174.30 3gml s TYR 214 N -1.92 -0.86 0.51 3.49 6.14 -0.77 -1.17 117.35 122.76 3gml s TYR 214 Ca 0.47 1.91 -0.08 0.00 0.64 0.00 0.00 57.07 60.01 3gml s TYR 214 Cb -0.11 0.40 0.11 0.00 0.42 0.00 0.00 41.96 42.79 3gml s TYR 214 CO 0.24 -0.42 0.69 -0.35 0.64 0.00 0.00 175.55 176.35 3gml n PRO 215 N 3.42 -0.57 -0.07 4.97 -0.04 -1.26 -0.32 135.00 141.14 3gml n PRO 215 Ca -0.17 -1.16 -0.04 0.00 -0.04 0.00 0.00 63.50 62.10 3gml n PRO 215 Cb 0.57 -0.68 0.18 0.00 -0.04 0.00 0.00 33.50 33.53 3gml n PRO 215 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3gml h LYS 216 N 0.00 0.70 -6.79 0.54 3.64 -1.98 -3.44 116.57 109.24 3gml h LYS 216 Ca -0.22 -0.20 -0.53 0.00 -1.27 0.00 0.00 60.65 58.43 3gml h LYS 216 Cb 0.64 -0.08 0.06 0.00 -0.41 0.00 0.00 32.23 32.45 3gml h LYS 216 CO 0.17 0.75 0.74 -2.14 -2.27 0.00 0.00 179.45 176.70 3gml s PRO 217 N -4.88 4.27 0.06 1.90 0.02 -1.26 -4.96 135.00 130.15 3gml s PRO 217 Ca -0.09 2.31 -0.27 0.00 0.02 0.00 0.00 61.00 62.98 3gml s PRO 217 Cb 0.14 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.65 3gml s PRO 217 CO 0.80 -0.39 0.66 0.54 -0.33 0.00 0.00 177.00 178.28 3gml s VAL 218 N -0.31 0.00 -0.09 3.83 0.11 -1.26 -4.63 120.40 118.06 3gml s VAL 218 Ca 0.57 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 3gml s VAL 218 Cb -0.42 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 3gml s VAL 218 CO 0.47 0.00 -0.11 0.86 -3.33 0.00 0.00 175.10 172.99 3gml s TRP 219 N -2.63 1.50 -0.05 1.54 -0.00 -0.76 -5.02 118.94 113.52 3gml s TRP 219 Ca -0.04 -0.64 0.01 0.00 -0.00 0.00 0.00 56.10 55.43 3gml s TRP 219 Cb -0.01 -1.15 0.02 0.00 -0.00 0.00 0.00 33.47 32.33 3gml s TRP 219 CO -0.03 -0.38 -0.04 0.08 -0.00 0.00 0.00 176.95 176.57 3gml s VAL 220 N 1.09 0.58 -0.06 5.86 1.01 -1.26 -1.05 120.40 126.56 3gml s VAL 220 Ca -0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3gml s VAL 220 Cb -0.14 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3gml s VAL 220 CO -0.01 0.25 0.29 -0.32 0.00 0.00 0.00 175.10 175.31 3gml s MET 221 N 1.13 0.50 0.18 2.72 0.00 -0.52 -4.98 119.30 118.33 3gml s MET 221 Ca -0.08 0.10 -0.28 0.00 0.00 0.00 0.00 55.69 55.43 3gml s MET 221 Cb -0.14 0.23 -0.08 0.00 0.00 0.00 0.00 34.83 34.84 3gml s MET 221 CO -0.01 -0.11 0.88 -1.58 0.00 0.00 0.00 175.02 174.20 3gml s TRP 222 N -0.59 3.91 0.04 4.11 0.52 -1.26 -0.11 118.94 125.57 3gml s TRP 222 Ca -0.07 1.78 0.04 0.00 0.02 0.00 0.00 56.10 57.87 3gml s TRP 222 Cb -0.04 -2.92 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 3gml s TRP 222 CO 0.02 0.42 -0.12 -1.64 0.02 0.00 0.00 176.95 175.64 3gml s MET 223 N -0.87 0.81 -0.33 4.98 -1.94 0.54 -0.67 119.30 121.83 3gml s MET 223 Ca 0.40 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 3gml s MET 223 Cb -0.24 -0.78 0.09 0.00 2.01 0.00 0.00 34.83 35.91 3gml s MET 223 CO 0.29 0.19 0.03 0.50 -0.01 0.00 0.00 175.02 176.02 3gml s ARG 224 N -1.21 1.85 6.34 2.03 3.52 -0.06 -1.32 118.95 130.09 3gml s ARG 224 Ca -0.01 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 3gml s ARG 224 Cb -0.08 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3gml s ARG 224 CO 0.01 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.08 3gml n GLY 225 N 4.39 1.91 0.07 8.12 0.00 -1.26 -1.70 105.19 116.72 3gml n GLY 225 Ca -0.03 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3gml n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gml n ASP 226 N 4.74 0.36 -4.58 1.61 8.00 -1.26 -4.82 116.55 120.59 3gml n ASP 226 Ca 0.00 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.77 3gml n ASP 226 Cb 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3gml n ASP 226 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3gml s GLN 227 N -2.65 3.62 0.17 -1.24 0.74 -0.69 -5.00 119.66 114.61 3gml s GLN 227 Ca 0.24 0.36 -0.32 0.00 0.05 0.00 0.00 55.36 55.68 3gml s GLN 227 Cb 0.19 -3.92 -0.12 0.00 1.10 0.00 0.00 33.01 30.26 3gml s GLN 227 CO 0.52 -1.31 1.73 0.39 -0.55 0.00 0.00 175.29 176.06 3gml n GLU 228 N 7.53 2.66 -2.59 1.67 1.02 -1.26 -0.89 120.64 128.78 3gml n GLU 228 Ca 0.09 0.96 -0.43 0.00 -0.02 0.00 0.00 57.16 57.76 3gml n GLU 228 Cb 0.49 -2.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.08 3gml n GLU 228 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gml s GLN 229 N 1.56 4.01 0.37 3.49 -1.52 0.15 -4.91 119.66 122.81 3gml s GLN 229 Ca 0.78 1.06 0.09 0.00 -1.95 0.00 0.00 55.36 55.33 3gml s GLN 229 Cb -0.53 -3.78 0.82 0.00 -0.22 0.00 0.00 33.01 29.29 3gml s GLN 229 CO 0.35 -0.99 1.90 1.96 -0.25 0.00 0.00 175.29 178.26 3gml h GLN 230 N 8.42 0.66 0.00 2.91 1.08 -1.92 -2.24 115.11 124.03 3gml h GLN 230 Ca -0.22 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3gml h GLN 230 Cb 1.07 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 3gml h GLN 230 CO 1.04 0.44 0.00 0.41 -0.95 0.00 0.00 178.83 179.77 3gml n GLY 231 N -1.45 -0.81 3.70 3.46 0.00 -1.26 -4.81 105.19 104.01 3gml n GLY 231 Ca 0.15 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3gml n GLY 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gml s THR 232 N -2.00 2.67 -0.20 2.61 2.01 -0.84 -4.65 115.64 115.23 3gml s THR 232 Ca 0.20 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 3gml s THR 232 Cb 0.09 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3gml s THR 232 CO 0.16 0.00 -0.13 -1.00 -0.69 0.00 0.00 174.62 172.96 3gml s HIS 233 N 2.44 2.86 0.03 4.92 3.76 -0.56 -4.95 115.29 123.78 3gml s HIS 233 Ca 0.77 -1.36 -0.27 0.00 -0.15 0.00 0.00 55.06 54.06 3gml s HIS 233 Cb -0.44 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.21 3gml s HIS 233 CO 0.34 -0.70 0.85 0.50 -0.85 0.00 0.00 174.74 174.88 3gml s ARG 234 N 1.37 4.55 0.32 1.40 3.52 -1.26 -1.08 118.95 127.76 3gml s ARG 234 Ca 0.05 1.21 -0.05 0.00 -0.13 0.00 0.00 55.73 56.80 3gml s ARG 234 Cb -0.14 -3.41 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 3gml s ARG 234 CO -0.09 0.14 0.38 0.41 -0.81 0.00 0.00 175.30 175.33 3gml n GLY 235 N 2.63 -1.66 3.81 8.12 0.00 0.80 -4.99 105.19 113.88 3gml n GLY 235 Ca 0.01 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 3gml n GLY 235 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gml s ASP 236 N -2.45 6.39 -0.04 1.61 1.01 -1.26 -4.83 116.67 117.09 3gml s ASP 236 Ca 0.22 1.84 -0.29 0.00 0.71 0.00 0.00 52.55 55.03 3gml s ASP 236 Cb -0.01 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3gml s ASP 236 CO 0.16 -0.75 0.97 -0.36 0.21 0.00 0.00 175.17 175.41 3gml s PHE 237 N -2.13 3.60 -0.07 4.23 0.08 -1.26 -4.58 117.98 117.85 3gml s PHE 237 Ca 0.65 1.63 0.04 0.00 0.12 0.00 0.00 56.93 59.38 3gml s PHE 237 Cb -0.14 -3.13 -0.02 0.00 -0.57 0.00 0.00 43.02 39.16 3gml s PHE 237 CO 0.22 -0.08 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.56 3gml s LEU 238 N 1.35 2.43 0.33 -0.37 1.43 -0.07 -4.96 118.68 118.82 3gml s LEU 238 Ca 0.50 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 3gml s LEU 238 Cb -0.20 -1.48 -0.10 0.00 0.03 0.00 0.00 46.19 44.44 3gml s LEU 238 CO 0.24 0.27 0.97 -2.16 0.23 0.00 0.00 176.35 175.90 3gml s PRO 239 N -0.30 4.55 0.62 1.29 0.04 -1.26 -0.02 135.00 139.92 3gml s PRO 239 Ca 0.01 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 3gml s PRO 239 Cb -0.13 -2.81 0.06 0.00 0.04 0.00 0.00 34.50 31.66 3gml s PRO 239 CO 0.03 0.23 0.88 -0.80 0.04 0.00 0.00 177.00 177.38 3gml s ASN 240 N -1.55 4.98 0.00 6.66 0.01 -0.25 -4.86 114.94 119.93 3gml s ASN 240 Ca 0.50 0.04 0.27 0.00 -0.71 0.00 0.00 52.86 52.97 3gml s ASN 240 Cb -0.20 -0.77 1.12 0.00 0.41 0.00 0.00 41.25 41.80 3gml s ASN 240 CO 0.26 -1.40 1.78 0.00 -1.51 0.00 0.00 177.10 176.22 3gml n ALA 241 N -2.58 2.58 -1.70 0.60 0.00 -1.26 -3.82 120.51 114.33 3gml n ALA 241 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 3gml n ALA 241 Cb 0.60 -1.20 0.14 0.00 0.00 0.00 0.00 19.45 18.98 3gml n ALA 241 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gml n ASP 242 N 0.01 3.27 -3.69 0.00 5.75 -1.26 -4.94 116.55 115.70 3gml n ASP 242 Ca 0.19 -3.83 -0.22 0.00 -0.01 0.00 0.00 54.79 50.92 3gml n ASP 242 Cb 0.31 -0.51 0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3gml n ASP 242 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3gml n GLU 243 N -0.97 -5.34 -4.26 0.11 1.02 -1.25 -4.99 120.64 104.96 3gml n GLU 243 Ca 0.33 0.66 -0.16 0.00 -0.02 0.00 0.00 57.16 57.97 3gml n GLU 243 Cb 0.86 -5.34 -0.09 0.00 -0.02 0.00 0.00 31.44 26.85 3gml n GLU 243 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gml s THR 244 N -3.57 0.09 0.22 2.62 -4.23 -1.26 -4.85 115.64 104.65 3gml s THR 244 Ca 0.11 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.73 3gml s THR 244 Cb -0.06 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 3gml s THR 244 CO 0.80 0.00 -0.18 0.26 -0.54 0.00 0.00 174.62 174.96 3gml s TRP 245 N -3.80 2.41 -0.01 3.99 0.52 -0.32 -1.09 118.94 120.64 3gml s TRP 245 Ca 0.39 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.24 3gml s TRP 245 Cb 0.05 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 3gml s TRP 245 CO 0.18 0.56 -0.14 -0.47 0.02 0.00 0.00 176.95 177.10 3gml s TYR 246 N -1.92 1.30 -0.07 -1.98 5.04 0.97 -0.52 117.35 120.18 3gml s TYR 246 Ca 0.25 -0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.51 3gml s TYR 246 Cb -0.07 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.41 3gml s TYR 246 CO 0.13 -0.03 0.26 -1.17 -1.34 0.00 0.00 175.55 173.40 3gml s LEU 247 N -0.30 1.01 0.07 6.97 2.96 0.07 -0.89 118.68 128.58 3gml s LEU 247 Ca 0.05 0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.35 3gml s LEU 247 Cb -0.06 0.99 -0.04 0.00 0.50 0.00 0.00 46.19 47.58 3gml s LEU 247 CO -0.00 -0.23 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.54 3gml s GLN 248 N -0.45 2.03 -0.05 1.98 -0.21 -1.26 -0.12 119.66 121.58 3gml s GLN 248 Ca -0.06 -1.03 0.05 0.00 0.02 0.00 0.00 55.36 54.34 3gml s GLN 248 Cb -0.04 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 3gml s GLN 248 CO 0.02 0.52 -0.19 0.00 -2.12 0.00 0.00 175.29 173.51 3gml s ALA 249 N -1.05 1.70 0.16 6.09 0.00 -0.47 -0.14 121.76 128.06 3gml s ALA 249 Ca 0.17 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.45 3gml s ALA 249 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3gml s ALA 249 CO 0.08 0.32 -0.24 0.95 0.00 0.00 0.00 175.76 176.87 3gml s THR 250 N -0.02 2.22 -0.03 0.00 -4.23 -0.24 -0.87 115.64 112.47 3gml s THR 250 Ca -0.04 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3gml s THR 250 Cb -0.12 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.74 3gml s THR 250 CO 0.03 -0.05 0.05 -0.22 -0.54 0.00 0.00 174.62 173.88 3gml s LEU 251 N -2.38 0.71 -0.19 4.79 2.96 -0.16 -1.49 118.68 122.92 3gml s LEU 251 Ca 0.17 0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.92 3gml s LEU 251 Cb -0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 3gml s LEU 251 CO 0.08 -0.18 0.68 -1.81 -1.32 0.00 0.00 176.35 173.80 3gml s ASP 252 N 1.50 6.74 0.09 3.68 1.01 -1.26 0.22 116.67 128.65 3gml s ASP 252 Ca -0.04 0.91 0.07 0.00 0.71 0.00 0.00 52.55 54.20 3gml s ASP 252 Cb -0.13 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 3gml s ASP 252 CO -0.03 -0.30 -0.18 0.68 0.21 0.00 0.00 175.17 175.54 3gml s VAL 253 N 1.98 1.48 0.30 -1.27 -7.23 0.33 -4.90 120.40 111.09 3gml s VAL 253 Ca 0.31 -1.43 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 3gml s VAL 253 Cb -0.16 -1.37 -0.10 0.00 0.56 0.00 0.00 36.38 35.31 3gml s VAL 253 CO 0.11 -0.11 1.22 -0.70 -0.31 0.00 0.00 175.10 175.30 3gml s GLU 254 N -1.80 4.48 0.28 4.82 2.12 -1.26 -0.04 118.70 127.29 3gml s GLU 254 Ca 0.03 2.03 -0.30 0.00 0.36 0.00 0.00 54.97 57.10 3gml s GLU 254 Cb -0.10 -3.13 -0.13 0.00 0.26 0.00 0.00 34.13 31.03 3gml s GLU 254 CO 0.03 -0.01 1.31 0.00 -0.54 0.00 0.00 175.26 176.05 3gml n ALA 255 N 1.02 0.94 0.00 6.30 0.00 -1.26 -1.53 120.51 125.99 3gml n ALA 255 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3gml n ALA 255 Cb 0.43 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3gml n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gml n GLY 256 N 1.57 2.66 1.52 0.00 0.00 -1.26 -4.90 105.19 104.78 3gml n GLY 256 Ca 0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 3gml n GLY 256 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gml n GLU 257 N 0.00 1.04 -0.06 1.61 0.28 -0.58 -3.82 120.64 119.11 3gml n GLU 257 Ca 0.00 -0.04 -0.07 0.00 -0.16 0.00 0.00 57.16 56.89 3gml n GLU 257 Cb 0.00 -1.03 -0.15 0.00 1.43 0.00 0.00 31.44 31.69 3gml n GLU 257 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3gml n GLU 258 N 1.52 0.67 -1.81 3.44 4.71 -1.26 -4.82 120.64 123.09 3gml n GLU 258 Ca 0.02 0.06 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 3gml n GLU 258 Cb 0.51 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 3gml n GLU 258 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gml s ALA 259 N -2.66 3.51 0.00 0.62 0.00 -1.25 -2.08 121.76 119.90 3gml s ALA 259 Ca -0.08 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3gml s ALA 259 Cb 0.07 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3gml s ALA 259 CO 0.83 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3gml n GLY 260 N 0.49 2.46 3.80 0.00 0.00 -1.26 -5.05 105.19 105.63 3gml n GLY 260 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gml n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gml s LEU 261 N 0.00 4.23 -0.02 0.99 1.43 -0.88 -4.13 118.68 120.30 3gml s LEU 261 Ca 0.00 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.68 3gml s LEU 261 Cb 0.00 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3gml s LEU 261 CO 0.00 -0.13 0.32 0.00 0.23 0.00 0.00 176.35 176.77 3gml s ALA 262 N -1.75 -0.80 -0.05 4.21 0.00 -0.44 -0.92 121.76 122.01 3gml s ALA 262 Ca 0.52 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 3gml s ALA 262 Cb -0.16 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3gml s ALA 262 CO 0.21 -0.26 0.41 0.00 0.00 0.00 0.00 175.76 176.12 3gml s ARG 264 N -0.42 2.90 -0.10 0.00 3.52 0.85 -1.26 118.95 124.44 3gml s ARG 264 Ca 0.23 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3gml s ARG 264 Cb -0.16 -2.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 3gml s ARG 264 CO 0.11 0.31 -0.13 0.08 -0.81 0.00 0.00 175.30 174.86 3gml s VAL 265 N 0.05 1.34 -0.11 7.11 1.01 0.50 -1.44 120.40 128.86 3gml s VAL 265 Ca -0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3gml s VAL 265 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3gml s VAL 265 CO 0.05 0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 174.96 3gml s LYS 266 N 1.08 3.18 -0.12 2.72 1.02 -0.22 -1.81 119.74 125.59 3gml s LYS 266 Ca -0.05 -0.56 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 3gml s LYS 266 Cb -0.15 -2.71 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 3gml s LYS 266 CO -0.02 0.44 0.53 -1.58 -0.92 0.00 0.00 175.35 173.80 3gml s HIS 267 N -0.21 -0.51 0.55 3.18 2.46 -1.26 -1.82 115.29 117.67 3gml s HIS 267 Ca 0.03 1.08 0.30 0.00 0.47 0.00 0.00 55.06 56.94 3gml s HIS 267 Cb -0.13 0.24 1.47 0.00 -0.13 0.00 0.00 32.58 34.02 3gml s HIS 267 CO 0.03 -0.40 1.90 0.66 -2.47 0.00 0.00 174.74 174.45 3gml h SER 268 N 4.31 0.00 1.28 9.88 4.64 -1.83 -0.94 113.55 130.89 3gml h SER 268 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3gml h SER 268 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3gml h SER 268 CO 0.28 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.01 3gml h SER 269 N 0.00 0.00 0.06 4.97 4.64 -1.86 -3.22 113.55 118.14 3gml h SER 269 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3gml h SER 269 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3gml h SER 269 CO -0.00 0.00 -0.16 0.18 -0.87 0.00 0.00 176.83 175.97 3gml n LEU 270 N -2.43 1.72 0.00 5.97 4.77 -0.35 -4.88 117.00 121.79 3gml n LEU 270 Ca 0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3gml n LEU 270 Cb 0.37 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3gml n LEU 270 CO 0.27 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3gml n GLY 271 N 1.30 1.75 1.49 -0.72 0.00 -1.22 -1.83 105.19 105.97 3gml n GLY 271 Ca 0.14 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.62 3gml n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gml n GLY 272 N 0.00 3.57 3.49 -0.02 0.00 -1.26 -4.65 105.19 106.32 3gml n GLY 272 Ca 0.00 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 3gml n GLY 272 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gml s GLN 273 N -2.85 3.91 0.74 1.61 -0.21 -0.76 -5.02 119.66 117.09 3gml s GLN 273 Ca 0.50 -2.16 -0.14 0.00 0.02 0.00 0.00 55.36 53.57 3gml s GLN 273 Cb 0.39 -5.14 0.04 0.00 1.00 0.00 0.00 33.01 29.31 3gml s GLN 273 CO 0.12 -1.89 1.18 -0.51 -2.12 0.00 0.00 175.29 172.07 3gml s ASP 274 N 3.45 4.21 -0.02 5.90 1.01 -1.26 -4.86 116.67 125.10 3gml s ASP 274 Ca 0.43 2.27 -0.27 0.00 0.71 0.00 0.00 52.55 55.68 3gml s ASP 274 Cb -0.02 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 3gml s ASP 274 CO -0.02 -2.25 0.87 -0.63 0.21 0.00 0.00 175.17 173.36 3gml s ILE 275 N -2.13 4.93 -0.12 0.77 1.01 -0.75 -4.92 121.20 119.99 3gml s ILE 275 Ca 0.72 1.82 0.01 0.00 0.00 0.00 0.00 60.65 63.19 3gml s ILE 275 Cb -0.27 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.01 3gml s ILE 275 CO 0.46 0.20 -0.12 -0.63 0.00 0.00 0.00 174.94 174.85 3gml s ILE 276 N 0.90 1.34 -0.19 2.92 1.01 -1.26 -0.37 121.20 125.55 3gml s ILE 276 Ca 0.46 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3gml s ILE 276 Cb -0.20 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.02 3gml s ILE 276 CO 0.24 0.42 -0.19 -0.76 0.00 0.00 0.00 174.94 174.65 3gml s LEU 277 N 1.33 2.22 -0.00 2.97 1.43 -0.39 -4.97 118.68 121.27 3gml s LEU 277 Ca -0.00 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.20 3gml s LEU 277 Cb -0.14 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3gml s LEU 277 CO -0.06 -0.02 0.57 -0.31 0.23 0.00 0.00 176.35 176.77 3gml s TYR 278 N 1.28 3.69 0.30 0.29 1.51 -1.26 -0.71 117.35 122.45 3gml s TYR 278 Ca 0.04 1.17 -0.29 0.00 -1.01 0.00 0.00 57.07 56.98 3gml s TYR 278 Cb -0.14 -2.57 -0.10 0.00 -0.11 0.00 0.00 41.96 39.05 3gml s TYR 278 CO -0.12 0.39 1.21 -0.46 -1.11 0.00 0.00 175.55 175.46 3gml s TRP 279 N -0.31 3.30 0.00 2.71 -0.11 -0.10 -4.01 118.94 120.41 3gml s TRP 279 Ca 0.30 1.54 0.00 0.00 1.22 0.00 0.00 56.10 59.16 3gml s TRP 279 Cb -0.18 -3.50 0.00 0.00 -1.50 0.00 0.00 33.47 28.29 3gml s TRP 279 CO 0.17 -1.26 0.00 0.41 -4.62 0.00 0.00 176.95 171.65 3gml n GLY 280 N 1.01 0.65 0.00 5.86 0.00 -1.26 -4.65 105.19 106.80 3gml n GLY 280 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3gml n GLY 280 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06