#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iru s LEU 2 N 0.00 1.87 0.09 2.39 1.43 -1.26 -5.31 118.68 117.90 3iru s LEU 2 Ca 0.00 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3iru s LEU 2 Cb 0.00 0.51 -0.04 0.00 0.03 0.00 0.00 46.19 46.69 3iru s LEU 2 CO 0.00 -0.45 0.01 -0.54 0.23 0.00 0.00 176.35 175.60 3iru s LYS 3 N -2.23 0.79 0.05 1.70 1.02 -1.26 -5.17 119.74 114.64 3iru s LYS 3 Ca -0.08 -1.34 0.07 0.00 0.02 0.00 0.00 55.97 54.64 3iru s LYS 3 Cb -0.04 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 3iru s LYS 3 CO -0.03 -0.17 -0.19 0.00 -0.92 0.00 0.00 175.35 174.04 3iru s ALA 4 N -3.95 1.63 -0.25 5.17 0.00 -1.26 -5.11 121.76 117.99 3iru s ALA 4 Ca 0.16 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 3iru s ALA 4 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3iru s ALA 4 CO -0.04 0.35 0.06 -0.80 0.00 0.00 0.00 175.76 175.33 3iru s ASN 5 N -1.25 5.06 -0.20 0.00 0.02 -1.26 -5.10 114.94 112.21 3iru s ASN 5 Ca 0.06 -0.23 -0.08 0.00 -1.02 0.00 0.00 52.86 51.58 3iru s ASN 5 Cb -0.09 -1.91 -0.04 0.00 0.02 0.00 0.00 41.25 39.23 3iru s ASN 5 CO 0.02 -0.04 0.09 -0.69 0.02 0.00 0.00 177.10 176.50 3iru s VAL 6 N 1.60 4.95 0.14 1.60 1.01 -1.26 -5.08 120.40 123.35 3iru s VAL 6 Ca 0.06 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3iru s VAL 6 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3iru s VAL 6 CO 0.03 0.42 -0.07 0.72 0.00 0.00 0.00 175.10 176.21 3iru s PHE 7 N 0.63 1.15 -0.13 5.22 -0.12 -1.26 -5.12 117.98 118.35 3iru s PHE 7 Ca 0.05 -0.87 -0.29 0.00 -0.05 0.00 0.00 56.93 55.77 3iru s PHE 7 Cb -0.13 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 3iru s PHE 7 CO 0.01 -0.05 1.09 0.00 -0.05 0.00 0.00 175.22 176.22 3iru n ALA 9 N 5.50 2.51 -0.45 0.00 0.00 -1.26 -4.69 120.51 122.11 3iru n ALA 9 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3iru n ALA 9 Cb 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3iru n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iru n GLY 10 N 1.02 -1.17 3.82 0.00 0.00 -1.26 -3.18 105.19 104.41 3iru n GLY 10 Ca 0.20 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 3iru n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iru s PRO 11 N 0.00 0.47 0.13 1.61 0.04 -1.26 -4.99 135.00 130.99 3iru s PRO 11 Ca 0.00 -0.12 -0.35 0.00 0.04 0.00 0.00 61.00 60.57 3iru s PRO 11 Cb 0.00 -1.80 -0.16 0.00 0.04 0.00 0.00 34.50 32.59 3iru s PRO 11 CO 0.00 -2.57 1.39 0.28 0.04 0.00 0.00 177.00 176.14 3iru n VAL 12 N -3.94 0.16 0.01 -0.36 0.31 -1.26 -4.93 118.33 108.31 3iru n VAL 12 Ca 0.12 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 3iru n VAL 12 Cb 0.60 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.32 3iru n VAL 12 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3iru h GLU 13 N 4.79 0.28 -3.07 5.55 5.08 -1.33 -3.46 114.58 122.43 3iru h GLU 13 Ca -0.46 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.35 3iru h GLU 13 Cb 1.31 0.18 -0.16 0.00 0.50 0.00 0.00 28.75 30.57 3iru h GLU 13 CO 0.80 1.23 -0.10 0.00 -1.00 0.00 0.00 179.01 179.94 3iru s ALA 14 N -2.55 -1.00 -0.08 3.43 0.00 -1.22 -1.31 121.76 119.03 3iru s ALA 14 Ca -0.21 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3iru s ALA 14 Cb 0.06 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3iru s ALA 14 CO 0.78 -0.48 -0.18 -0.51 0.00 0.00 0.00 175.76 175.36 3iru s LEU 15 N -2.10 1.88 -0.25 0.00 1.02 0.57 -2.05 118.68 117.75 3iru s LEU 15 Ca -0.04 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.64 3iru s LEU 15 Cb -0.00 -1.13 0.02 0.00 0.02 0.00 0.00 46.19 45.10 3iru s LEU 15 CO -0.03 0.10 -0.03 -0.63 0.02 0.00 0.00 176.35 175.78 3iru s ILE 16 N 0.47 3.19 -0.08 -0.59 1.01 0.22 -0.88 121.20 124.53 3iru s ILE 16 Ca -0.16 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.67 3iru s ILE 16 Cb -0.17 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3iru s ILE 16 CO 0.06 0.22 -0.23 -0.76 0.00 0.00 0.00 174.94 174.23 3iru s LEU 17 N 1.39 2.15 1.12 2.97 1.02 -0.39 0.41 118.68 127.35 3iru s LEU 17 Ca 0.02 -0.51 -0.14 0.00 0.02 0.00 0.00 54.13 53.52 3iru s LEU 17 Cb -0.16 -1.42 0.21 0.00 0.02 0.00 0.00 46.19 44.84 3iru s LEU 17 CO -0.03 0.20 0.70 -0.67 0.02 0.00 0.00 176.35 176.58 3iru n ASP 18 N 3.23 -1.75 0.00 2.29 2.03 -0.54 -2.14 116.55 119.67 3iru n ASP 18 Ca -0.18 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.06 3iru n ASP 18 Cb 0.52 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 3iru n ASP 18 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 3iru n TRP 19 N -4.68 0.00 -1.92 -0.67 7.02 -1.20 -3.51 117.44 112.47 3iru n TRP 19 Ca 0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.09 3iru n TRP 19 Cb 0.56 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 3iru n TRP 19 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3iru s ALA 20 N -3.74 3.64 0.00 6.99 0.00 -1.26 -0.74 121.76 126.66 3iru s ALA 20 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3iru s ALA 20 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3iru s ALA 20 CO 0.00 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3iru n GLY 21 N 4.12 0.80 1.36 0.00 0.00 0.13 -4.79 105.19 106.81 3iru n GLY 21 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3iru n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iru n THR 22 N -2.28 0.64 -0.06 2.61 -1.04 -0.79 -3.22 114.28 110.14 3iru n THR 22 Ca 0.00 0.21 -0.06 0.00 -2.04 0.00 0.00 64.05 62.16 3iru n THR 22 Cb 0.00 -1.10 -0.09 0.00 -1.82 0.00 0.00 70.33 67.33 3iru n THR 22 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3iru n THR 23 N -3.28 0.78 -4.41 12.58 -2.24 0.08 -4.54 114.28 113.26 3iru n THR 23 Ca 0.00 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.12 3iru n THR 23 Cb 0.00 -0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 67.40 3iru n THR 23 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3iru s ILE 24 N -2.27 1.14 -0.47 2.28 -4.36 -0.58 -0.88 121.20 116.06 3iru s ILE 24 Ca -0.07 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.21 3iru s ILE 24 Cb 0.03 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 41.10 3iru s ILE 24 CO 0.45 -0.10 0.55 -0.67 0.24 0.00 0.00 174.94 175.42 3iru n ASP 25 N -0.60 -7.18 -4.68 4.36 2.03 -1.10 0.19 116.55 109.58 3iru n ASP 25 Ca -0.03 0.29 -0.47 0.00 0.52 0.00 0.00 54.79 55.11 3iru n ASP 25 Cb 0.66 -4.83 -0.04 0.00 -0.72 0.00 0.00 41.12 36.18 3iru n ASP 25 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3iru n PHE 26 N -0.78 2.33 -0.37 -0.67 7.35 -1.26 -0.95 117.46 123.11 3iru n PHE 26 Ca 0.07 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 3iru n PHE 26 Cb 0.44 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.65 3iru n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3iru n GLY 27 N 3.92 1.22 3.87 7.13 0.00 0.13 -4.35 105.19 117.11 3iru n GLY 27 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3iru n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iru n SER 28 N 0.00 -2.72 0.10 1.61 2.88 -0.12 -4.15 113.62 111.22 3iru n SER 28 Ca 0.00 -1.06 0.12 0.00 -1.33 0.00 0.00 58.87 56.60 3iru n SER 28 Cb 0.00 -2.97 0.01 0.00 -0.75 0.00 0.00 64.21 60.50 3iru n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iru n LEU 29 N -4.40 0.83 -0.10 2.46 4.77 -1.26 -4.33 117.00 114.97 3iru n LEU 29 Ca -0.20 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3iru n LEU 29 Cb 0.63 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3iru n LEU 29 CO 0.72 -0.17 0.97 0.00 -1.33 0.00 0.00 177.39 177.57 3iru h ALA 30 N 2.05 0.40 0.00 -1.18 0.00 -1.90 0.11 119.26 118.74 3iru h ALA 30 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iru h ALA 30 Cb 0.98 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3iru h ALA 30 CO 0.00 -0.22 -0.20 -1.35 0.00 0.00 0.00 179.25 177.48 3iru h PRO 31 N 0.33 0.00 0.60 0.00 0.11 -1.96 -2.07 132.00 129.01 3iru h PRO 31 Ca 0.14 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 3iru h PRO 31 Cb 0.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.18 3iru h PRO 31 CO -0.10 0.20 -0.29 0.28 -0.21 0.00 0.00 178.00 177.88 3iru h VAL 32 N 0.00 0.00 -0.94 3.15 2.07 -1.04 0.19 116.25 119.69 3iru h VAL 32 Ca -0.00 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.46 3iru h VAL 32 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 3iru h VAL 32 CO 0.03 0.00 0.60 1.88 0.02 0.00 0.00 177.57 180.09 3iru h TYR 33 N -1.02 0.95 -0.56 1.57 0.05 -1.20 -0.20 116.97 116.56 3iru h TYR 33 Ca -0.08 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 3iru h TYR 33 Cb 0.62 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3iru h TYR 33 CO 0.03 0.34 0.03 0.00 -1.05 0.00 0.00 178.16 177.52 3iru h ALA 34 N 1.58 0.75 0.00 3.88 0.00 -1.27 -1.31 119.26 122.89 3iru h ALA 34 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iru h ALA 34 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iru h ALA 34 CO -0.24 0.55 0.00 1.19 0.00 0.00 0.00 179.25 180.75 3iru n PHE 35 N -4.28 0.00 0.00 0.00 3.72 0.66 -1.38 117.46 116.19 3iru n PHE 35 Ca 0.02 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3iru n PHE 35 Cb 0.31 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3iru n PHE 35 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3iru n GLU 37 N 0.92 0.00 -0.03 -1.08 1.02 -0.50 -1.57 120.64 119.40 3iru n GLU 37 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3iru n GLU 37 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 3iru n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iru h LEU 38 N 0.00 -1.01 -0.92 -4.62 5.85 -1.50 -2.32 115.31 110.80 3iru h LEU 38 Ca 0.00 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3iru h LEU 38 Cb 0.00 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3iru h LEU 38 CO 0.00 -0.34 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.13 3iru h PHE 39 N -0.35 0.00 -0.83 1.25 0.04 -1.55 -3.08 116.94 112.41 3iru h PHE 39 Ca 0.12 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3iru h PHE 39 Cb 0.54 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 3iru h PHE 39 CO -0.44 0.37 0.39 -0.22 -0.60 0.00 0.00 178.31 177.81 3iru h LYS 40 N 0.00 1.21 0.00 1.51 3.64 -1.28 -0.10 116.57 121.54 3iru h LYS 40 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3iru h LYS 40 Cb 0.90 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3iru h LYS 40 CO 0.05 0.93 0.00 1.04 -2.27 0.00 0.00 179.45 179.20 3iru n GLN 41 N -4.30 0.80 -0.05 1.90 1.13 -0.94 -1.26 117.38 114.66 3iru n GLN 41 Ca 0.08 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.17 3iru n GLN 41 Cb 0.15 -1.21 0.06 0.00 0.11 0.00 0.00 30.24 29.35 3iru n GLN 41 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3iru n GLU 42 N -0.71 1.50 -1.27 -1.09 -0.58 -0.72 -4.99 120.64 112.78 3iru n GLU 42 Ca 0.08 -1.37 -0.02 0.00 -0.42 0.00 0.00 57.16 55.43 3iru n GLU 42 Cb 0.04 -1.14 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 3iru n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iru n GLY 43 N 0.21 0.46 3.18 0.62 0.00 -0.39 -5.01 105.19 104.26 3iru n GLY 43 Ca 0.05 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3iru n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iru s ILE 44 N -2.06 2.09 -0.55 -0.61 1.01 -0.13 -5.00 121.20 115.95 3iru s ILE 44 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3iru s ILE 44 Cb 0.00 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.71 3iru s ILE 44 CO 0.00 0.55 0.72 -0.70 0.00 0.00 0.00 174.94 175.51 3iru s GLU 45 N 0.73 3.14 0.30 2.79 2.12 -1.26 -2.85 118.70 123.66 3iru s GLU 45 Ca -0.09 -0.88 -0.16 0.00 0.36 0.00 0.00 54.97 54.19 3iru s GLU 45 Cb -0.16 -4.14 -0.09 0.00 0.26 0.00 0.00 34.13 30.00 3iru s GLU 45 CO 0.00 -1.39 0.74 0.14 -0.54 0.00 0.00 175.26 174.21 3iru s VAL 46 N 2.99 4.65 0.43 3.70 -7.23 -1.26 -5.09 120.40 118.58 3iru s VAL 46 Ca 0.17 1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 61.37 3iru s VAL 46 Cb -0.19 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 3iru s VAL 46 CO 0.12 -0.08 0.68 0.42 -0.31 0.00 0.00 175.10 175.93 3iru s THR 47 N -1.86 4.72 0.25 5.32 -4.23 -1.26 -4.99 115.64 113.59 3iru s THR 47 Ca 0.51 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 3iru s THR 47 Cb -0.12 -3.76 0.23 0.00 1.34 0.00 0.00 72.50 70.18 3iru s THR 47 CO 0.18 -0.61 1.79 -0.61 -0.54 0.00 0.00 174.62 174.83 3iru h GLN 48 N 0.43 0.72 -0.57 3.99 4.15 -1.98 -2.05 115.11 119.80 3iru h GLN 48 Ca -0.48 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.88 3iru h GLN 48 Cb 1.22 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 3iru h GLN 48 CO 0.61 0.48 0.28 0.00 -1.93 0.00 0.00 178.83 178.26 3iru h ALA 49 N 1.49 0.74 -0.98 3.38 0.00 -1.98 -0.69 119.26 121.22 3iru h ALA 49 Ca 0.42 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3iru h ALA 49 Cb 0.46 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3iru h ALA 49 CO -0.29 0.30 0.64 0.93 0.00 0.00 0.00 179.25 180.83 3iru h GLU 50 N 0.77 1.12 -0.00 0.00 5.08 -1.88 -2.42 114.58 117.25 3iru h GLU 50 Ca 0.20 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 3iru h GLU 50 Cb 0.12 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3iru h GLU 50 CO -0.02 0.74 -0.73 0.00 -1.00 0.00 0.00 179.01 178.00 3iru h ALA 51 N 1.46 0.79 0.00 3.43 0.00 -0.78 -3.19 119.26 120.97 3iru h ALA 51 Ca 0.42 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iru h ALA 51 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iru h ALA 51 CO -0.16 0.89 -0.61 0.00 0.00 0.00 0.00 179.25 179.37 3iru h ARG 52 N 0.02 0.00 -0.00 0.00 3.08 -0.90 -3.40 114.38 113.18 3iru h ARG 52 Ca -0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3iru h ARG 52 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3iru h ARG 52 CO 0.10 0.00 -0.21 1.49 -1.07 0.00 0.00 179.97 180.28 3iru h GLU 53 N 0.00 -0.32 -5.79 0.04 4.57 -1.42 -3.48 114.58 108.18 3iru h GLU 53 Ca 0.00 0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.62 3iru h GLU 53 Cb 0.90 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.49 3iru h GLU 53 CO 0.00 -0.21 -0.18 -1.25 -1.18 0.00 0.00 179.01 176.19 3iru s PRO 54 N -6.10 4.21 0.00 0.92 0.04 -1.26 -5.07 135.00 127.74 3iru s PRO 54 Ca -0.15 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3iru s PRO 54 Cb 0.09 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3iru s PRO 54 CO 0.66 0.33 0.00 0.41 0.04 0.00 0.00 177.00 178.44 3iru n GLY 56 N 2.85 0.00 3.87 0.56 0.00 -1.26 -4.84 105.19 106.37 3iru n GLY 56 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3iru n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iru s THR 57 N 0.00 3.32 0.60 2.61 -4.23 -1.26 -4.51 115.64 112.17 3iru s THR 57 Ca 0.00 0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 60.74 3iru s THR 57 Cb 0.00 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 3iru s THR 57 CO 0.00 -0.56 1.23 1.21 -0.54 0.00 0.00 174.62 175.96 3iru n GLU 58 N -3.10 1.26 -0.03 3.99 0.00 -1.26 -4.64 120.64 116.87 3iru n GLU 58 Ca 0.07 0.48 -0.08 0.00 0.00 0.00 0.00 57.16 57.63 3iru n GLU 58 Cb 0.57 -2.44 0.10 0.00 0.00 0.00 0.00 31.44 29.67 3iru n GLU 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3iru h LYS 59 N 0.86 0.62 -0.40 5.31 1.79 -1.95 0.31 116.57 123.10 3iru h LYS 59 Ca -0.50 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 57.60 3iru h LYS 59 Cb 1.33 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 3iru h LYS 59 CO 0.54 0.89 -0.03 0.66 -1.08 0.00 0.00 179.45 180.43 3iru h SER 60 N 0.52 0.62 -0.21 0.86 4.64 -1.93 -0.60 113.55 117.46 3iru h SER 60 Ca 0.05 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3iru h SER 60 Cb 0.87 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3iru h SER 60 CO 0.08 0.71 0.12 -0.08 -0.87 0.00 0.00 176.83 176.79 3iru h GLU 61 N 0.61 0.28 -0.72 4.77 4.57 -1.78 -0.58 114.58 121.73 3iru h GLU 61 Ca 0.12 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.40 3iru h GLU 61 Cb 0.43 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.87 3iru h GLU 61 CO 0.02 0.25 0.28 1.25 -1.18 0.00 0.00 179.01 179.63 3iru h HIS 62 N 0.24 0.49 -0.25 0.92 2.76 -0.65 -0.33 115.15 118.32 3iru h HIS 62 Ca 0.07 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3iru h HIS 62 Cb 0.04 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3iru h HIS 62 CO -0.04 0.07 0.04 0.82 -1.30 0.00 0.00 177.93 177.52 3iru h ILE 63 N 0.44 1.23 -0.87 6.26 2.04 -0.90 -3.11 117.51 122.60 3iru h ILE 63 Ca 0.39 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3iru h ILE 63 Cb 0.57 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 3iru h ILE 63 CO -0.38 0.25 0.53 -0.09 0.00 0.00 0.00 178.15 178.45 3iru h ARG 64 N 0.23 0.91 -1.24 2.37 2.43 -0.42 -0.75 114.38 117.90 3iru h ARG 64 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iru h ARG 64 Cb 0.33 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3iru h ARG 64 CO 0.01 0.60 0.00 0.54 -1.51 0.00 0.00 179.97 179.61 3iru n ARG 65 N -4.65 0.52 0.00 0.20 1.74 -0.20 -2.24 116.66 112.03 3iru n ARG 65 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3iru n ARG 65 Cb 0.21 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3iru n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iru n LEU 67 N 0.62 0.00 0.06 0.55 4.77 -0.29 -2.26 117.00 120.44 3iru n LEU 67 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3iru n LEU 67 Cb 0.23 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.57 3iru n LEU 67 CO 0.00 0.00 0.49 0.61 -1.33 0.00 0.00 177.39 177.16 3iru n GLY 68 N 0.00 -1.45 3.73 -0.72 0.00 -0.95 -3.83 105.19 101.97 3iru n GLY 68 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3iru n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iru s ASN 69 N -4.05 6.38 0.31 1.61 3.84 -0.96 -4.89 114.94 117.18 3iru s ASN 69 Ca 0.08 2.91 0.03 0.00 0.21 0.00 0.00 52.86 56.08 3iru s ASN 69 Cb 0.14 -2.62 0.51 0.00 -0.55 0.00 0.00 41.25 38.73 3iru s ASN 69 CO 0.68 -0.95 1.82 0.77 -2.79 0.00 0.00 177.10 176.64 3iru h SER 70 N 5.88 0.55 -0.32 -4.21 4.64 -1.94 -0.07 113.55 118.07 3iru h SER 70 Ca -0.45 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 60.69 3iru h SER 70 Cb 1.21 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3iru h SER 70 CO 0.88 0.65 -0.01 -0.09 -0.87 0.00 0.00 176.83 177.39 3iru h ARG 71 N 0.54 0.57 -0.28 4.77 2.43 -1.97 -2.00 114.38 118.44 3iru h ARG 71 Ca 0.11 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3iru h ARG 71 Cb 0.42 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3iru h ARG 71 CO 0.02 0.72 -0.00 0.82 -1.51 0.00 0.00 179.97 180.01 3iru h ILE 72 N 0.37 1.26 -0.70 1.20 2.04 -1.87 -1.03 117.51 118.78 3iru h ILE 72 Ca 0.09 -0.93 0.11 0.00 1.00 0.00 0.00 64.86 65.14 3iru h ILE 72 Cb 0.46 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 3iru h ILE 72 CO 0.02 0.30 0.30 0.00 0.00 0.00 0.00 178.15 178.77 3iru h ALA 73 N 0.83 0.97 -0.76 1.87 0.00 -1.03 0.17 119.26 121.31 3iru h ALA 73 Ca 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3iru h ALA 73 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3iru h ALA 73 CO 0.01 -0.15 0.34 -0.91 0.00 0.00 0.00 179.25 178.55 3iru h ASN 74 N 0.49 1.01 -0.15 0.00 2.35 -1.25 -1.35 115.58 116.67 3iru h ASN 74 Ca 0.37 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3iru h ASN 74 Cb 0.48 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3iru h ASN 74 CO -0.34 0.87 -0.16 0.00 -1.65 0.00 0.00 177.43 176.16 3iru h ALA 75 N 1.17 1.17 -0.30 -0.83 0.00 -0.36 -1.26 119.26 118.85 3iru h ALA 75 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3iru h ALA 75 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iru h ALA 75 CO -0.03 0.53 -0.05 2.35 0.00 0.00 0.00 179.25 182.05 3iru h TRP 76 N 0.49 0.62 -0.41 0.00 2.91 -0.45 -3.12 115.95 115.98 3iru h TRP 76 Ca 0.08 -0.13 -0.15 0.00 1.13 0.00 0.00 58.89 59.82 3iru h TRP 76 Cb 0.56 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 3iru h TRP 76 CO 0.02 0.73 -0.34 1.25 -1.03 0.00 0.00 178.44 179.07 3iru h LEU 77 N 0.33 1.02 -2.08 0.65 5.85 -1.16 0.96 115.31 120.87 3iru h LEU 77 Ca 0.08 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 3iru h LEU 77 Cb 0.52 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3iru h LEU 77 CO 0.03 1.25 0.09 -0.24 -0.34 0.00 0.00 178.44 179.22 3iru n SER 78 N -4.07 2.72 0.02 1.25 2.88 -0.49 -1.72 113.62 114.22 3iru n SER 78 Ca -0.02 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 3iru n SER 78 Cb 0.53 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 3iru n SER 78 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3iru n ILE 79 N 0.14 0.00 1.21 2.46 5.41 -1.12 -4.89 119.36 122.58 3iru n ILE 79 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.98 3iru n ILE 79 Cb 0.64 -0.50 0.44 0.00 -0.71 0.00 0.00 39.64 39.51 3iru n ILE 79 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3iru n LYS 80 N -2.64 0.53 -0.49 0.38 4.76 0.32 -4.93 118.16 116.09 3iru n LYS 80 Ca 0.00 -0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 3iru n LYS 80 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3iru n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iru n GLY 81 N 1.37 1.91 3.50 0.72 0.00 -0.70 -4.94 105.19 107.05 3iru n GLY 81 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3iru n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iru s GLN 82 N -0.02 1.38 0.72 1.61 -2.07 -1.25 -5.00 119.66 115.03 3iru s GLN 82 Ca 0.00 -1.11 -0.16 0.00 -1.82 0.00 0.00 55.36 52.28 3iru s GLN 82 Cb 0.00 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.41 3iru s GLN 82 CO 0.00 -0.56 1.24 0.00 -1.32 0.00 0.00 175.29 174.64 3iru s ALA 83 N -3.96 2.12 0.34 2.60 0.00 -1.26 -4.07 121.76 117.53 3iru s ALA 83 Ca 0.17 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 3iru s ALA 83 Cb 0.00 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 3iru s ALA 83 CO 0.03 -1.91 1.28 0.43 0.00 0.00 0.00 175.76 175.59 3iru n SER 84 N -2.61 2.72 -4.02 0.00 7.64 -1.26 -5.01 113.62 111.08 3iru n SER 84 Ca 0.14 1.20 -0.19 0.00 1.01 0.00 0.00 58.87 61.04 3iru n SER 84 Cb 0.50 -1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.12 3iru n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iru s ASN 85 N -0.32 1.54 0.50 6.43 4.22 -1.26 -5.05 114.94 121.00 3iru s ASN 85 Ca 0.56 -1.54 0.15 0.00 -2.14 0.00 0.00 52.86 49.89 3iru s ASN 85 Cb -0.57 0.37 1.20 0.00 1.28 0.00 0.00 41.25 43.52 3iru s ASN 85 CO 0.62 -0.87 2.11 1.05 -2.04 0.00 0.00 177.10 177.97 3iru h GLU 86 N 2.22 0.01 -0.71 3.55 -0.00 -2.00 -1.59 114.58 116.07 3iru h GLU 86 Ca -0.34 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.97 3iru h GLU 86 Cb 1.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.97 3iru h GLU 86 CO 0.53 0.05 0.24 1.49 -0.00 0.00 0.00 179.01 181.32 3iru h GLU 87 N 0.01 1.08 -0.22 1.06 4.81 -1.99 -0.91 114.58 118.42 3iru h GLU 87 Ca 0.00 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.88 3iru h GLU 87 Cb 0.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3iru h GLU 87 CO 0.00 0.91 -0.42 -0.44 -0.73 0.00 0.00 179.01 178.33 3iru h ASP 88 N 1.05 0.76 -0.28 1.04 3.32 -1.71 -1.27 116.42 119.32 3iru h ASP 88 Ca 0.23 -0.54 0.04 0.00 0.02 0.00 0.00 57.03 56.79 3iru h ASP 88 Cb 0.26 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3iru h ASP 88 CO -0.01 1.16 0.03 0.40 -1.72 0.00 0.00 179.24 179.09 3iru h ILE 89 N 0.38 0.83 -0.38 0.35 2.04 -1.38 0.14 117.51 119.49 3iru h ILE 89 Ca 0.01 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3iru h ILE 89 Cb 1.02 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 3iru h ILE 89 CO 0.09 0.02 0.04 0.50 0.00 0.00 0.00 178.15 178.80 3iru h LYS 90 N 0.12 0.14 -0.41 2.37 3.64 -1.10 0.95 116.57 122.28 3iru h LYS 90 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3iru h LYS 90 Cb 0.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3iru h LYS 90 CO -0.20 0.10 0.08 -0.09 -2.27 0.00 0.00 179.45 177.06 3iru h ARG 91 N 0.15 0.67 -0.31 1.90 2.43 -0.88 -2.75 114.38 115.59 3iru h ARG 91 Ca 0.19 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3iru h ARG 91 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3iru h ARG 91 CO -0.28 0.71 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.59 3iru h LEU 92 N 0.53 0.60 -0.30 3.80 3.38 -0.50 -2.15 115.31 120.66 3iru h LEU 92 Ca 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iru h LEU 92 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iru h LEU 92 CO 0.01 0.82 0.14 0.22 0.09 0.00 0.00 178.44 179.72 3iru h TYR 93 N 0.53 0.44 -0.44 1.13 3.20 -0.72 -1.08 116.97 120.03 3iru h TYR 93 Ca 0.08 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3iru h TYR 93 Cb 0.67 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3iru h TYR 93 CO 0.03 0.40 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.48 3iru h ASP 94 N 0.35 0.70 -0.27 -2.11 3.32 -1.18 -1.04 116.42 116.21 3iru h ASP 94 Ca 0.10 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3iru h ASP 94 Cb 0.13 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3iru h ASP 94 CO -0.01 0.79 0.15 -0.07 -1.72 0.00 0.00 179.24 178.37 3iru h LEU 95 N 0.68 0.36 -0.40 1.55 4.07 -1.21 -3.35 115.31 117.01 3iru h LEU 95 Ca 0.13 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 3iru h LEU 95 Cb 0.46 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 3iru h LEU 95 CO 0.02 0.30 -0.07 0.15 -1.08 0.00 0.00 178.44 177.77 3iru h PHE 96 N 0.41 0.83 -0.16 1.13 3.57 0.16 -3.32 116.94 119.56 3iru h PHE 96 Ca 0.11 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3iru h PHE 96 Cb 0.04 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3iru h PHE 96 CO 0.00 0.86 -0.10 0.00 -2.23 0.00 0.00 178.31 176.84 3iru h ALA 97 N 0.85 0.03 -0.97 2.41 0.00 -1.69 0.18 119.26 120.07 3iru h ALA 97 Ca 0.10 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3iru h ALA 97 Cb 0.58 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3iru h ALA 97 CO 0.03 -0.54 0.63 -1.35 0.00 0.00 0.00 179.25 178.02 3iru h PRO 98 N -0.10 1.12 -0.17 0.00 0.11 -1.81 -0.32 132.00 130.83 3iru h PRO 98 Ca 0.10 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.14 3iru h PRO 98 Cb 0.24 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3iru h PRO 98 CO -0.23 0.74 0.10 0.82 -0.21 0.00 0.00 178.00 179.22 3iru h ILE 99 N 1.15 1.02 -0.67 4.15 2.04 -1.40 -3.02 117.51 120.80 3iru h ILE 99 Ca 0.41 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 66.12 3iru h ILE 99 Cb 0.13 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3iru h ILE 99 CO -0.15 0.04 0.12 -0.61 0.00 0.00 0.00 178.15 177.54 3iru h GLN 100 N 0.20 1.09 -0.54 2.37 5.75 -0.71 -3.15 115.11 120.12 3iru h GLN 100 Ca 0.06 -0.28 0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3iru h GLN 100 Cb -0.01 -0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.33 3iru h GLN 100 CO -0.03 0.99 0.10 1.79 -2.65 0.00 0.00 178.83 179.03 3iru h THR 101 N 1.02 0.67 0.16 2.39 1.35 -0.93 0.72 112.91 118.31 3iru h THR 101 Ca 0.20 -0.08 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 3iru h THR 101 Cb 0.43 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 3iru h THR 101 CO 0.01 0.04 -0.25 -0.09 -0.25 0.00 0.00 175.52 174.99 3iru h ARG 102 N 0.23 -0.46 -0.70 4.72 2.43 -1.55 -0.34 114.38 118.71 3iru h ARG 102 Ca 0.28 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3iru h ARG 102 Cb 0.40 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3iru h ARG 102 CO -0.37 -0.31 0.29 0.82 -1.51 0.00 0.00 179.97 178.90 3iru h ILE 103 N -0.48 1.24 -0.97 1.20 1.08 -1.49 -0.64 117.51 117.46 3iru h ILE 103 Ca 0.02 -0.75 0.13 0.00 -0.39 0.00 0.00 64.86 63.87 3iru h ILE 103 Cb 0.48 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 34.56 3iru h ILE 103 CO -0.11 0.30 0.59 0.58 -0.69 0.00 0.00 178.15 178.82 3iru h VAL 104 N 1.00 0.86 -0.20 1.67 2.07 -0.57 -1.44 116.25 119.65 3iru h VAL 104 Ca 0.24 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 3iru h VAL 104 Cb 0.19 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3iru h VAL 104 CO -0.02 0.16 -0.46 0.00 0.02 0.00 0.00 177.57 177.27 3iru h ALA 105 N 1.55 0.84 -0.04 1.67 0.00 0.08 -2.74 119.26 120.61 3iru h ALA 105 Ca 0.50 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iru h ALA 105 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3iru h ALA 105 CO -0.29 0.66 -0.11 1.96 0.00 0.00 0.00 179.25 181.46 3iru h GLN 106 N 0.40 0.06 -1.05 0.00 4.20 -0.16 -3.33 115.11 115.24 3iru h GLN 106 Ca 0.03 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 3iru h GLN 106 Cb 0.96 -0.01 -0.42 0.00 0.30 0.00 0.00 27.48 28.31 3iru h GLN 106 CO 0.09 0.18 -0.74 0.54 -0.67 0.00 0.00 178.83 178.23 3iru n ARG 107 N -4.37 3.53 -0.67 1.46 1.74 -0.69 -4.80 116.66 112.85 3iru n ARG 107 Ca -0.02 -4.27 0.09 0.00 -0.77 0.00 0.00 57.85 52.87 3iru n ARG 107 Cb 0.21 -2.27 0.36 0.00 -1.02 0.00 0.00 32.46 29.74 3iru n ARG 107 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3iru n SER 108 N -0.63 4.94 -4.76 0.55 3.41 -1.21 -3.23 113.62 112.68 3iru n SER 108 Ca 0.43 -2.61 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 3iru n SER 108 Cb 0.84 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3iru n SER 108 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iru s GLN 109 N -2.14 4.29 0.59 4.33 -1.52 -1.26 -4.53 119.66 119.42 3iru s GLN 109 Ca 0.51 2.30 -0.20 0.00 -1.95 0.00 0.00 55.36 56.02 3iru s GLN 109 Cb 0.35 -3.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 3iru s GLN 109 CO 0.21 -0.31 1.31 -0.51 -0.25 0.00 0.00 175.29 175.74 3iru s LEU 110 N -1.46 3.73 0.20 2.90 1.43 -1.26 -2.70 118.68 121.51 3iru s LEU 110 Ca 0.52 2.66 -0.32 0.00 -1.03 0.00 0.00 54.13 55.96 3iru s LEU 110 Cb -0.41 -4.44 -0.12 0.00 0.03 0.00 0.00 46.19 41.24 3iru s LEU 110 CO 0.52 -1.73 1.69 -0.38 0.23 0.00 0.00 176.35 176.69 3iru n ILE 111 N -1.42 0.02 -1.74 -0.59 2.08 -0.05 -4.86 119.36 112.80 3iru n ILE 111 Ca 0.13 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 63.01 3iru n ILE 111 Cb 0.47 -1.90 -0.01 0.00 -0.75 0.00 0.00 39.64 37.45 3iru n ILE 111 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3iru n PRO 112 N 3.82 2.48 0.00 0.38 -0.02 -1.26 -1.89 135.00 138.52 3iru n PRO 112 Ca 0.16 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3iru n PRO 112 Cb 0.34 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3iru n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iru n GLY 113 N 1.28 3.06 0.33 -1.23 0.00 -1.26 -4.58 105.19 102.79 3iru n GLY 113 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3iru n GLY 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3iru h TRP 114 N 0.00 0.82 0.33 1.61 -0.00 -1.70 -2.85 115.95 114.16 3iru h TRP 114 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 3iru h TRP 114 Cb 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 3iru h TRP 114 CO 0.00 0.57 -0.42 -0.22 -0.00 0.00 0.00 178.44 178.37 3iru h LYS 115 N 0.85 -0.77 -1.00 2.65 1.63 -1.92 0.60 116.57 118.61 3iru h LYS 115 Ca 0.22 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.14 3iru h LYS 115 Cb 0.02 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 3iru h LYS 115 CO -0.04 -0.51 0.65 0.93 -3.45 0.00 0.00 179.45 177.03 3iru h GLU 116 N -0.80 1.14 -0.09 1.90 5.08 -1.95 -0.49 114.58 119.37 3iru h GLU 116 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3iru h GLU 116 Cb 0.74 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3iru h GLU 116 CO -0.12 0.75 0.00 0.28 -1.00 0.00 0.00 179.01 178.93 3iru h VAL 117 N 1.18 1.25 -0.49 3.13 2.07 -1.27 -1.97 116.25 120.14 3iru h VAL 117 Ca 0.43 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.26 3iru h VAL 117 Cb 0.16 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 3iru h VAL 117 CO -0.17 0.22 -0.15 0.15 0.02 0.00 0.00 177.57 177.64 3iru h PHE 118 N -0.11 -0.34 -0.69 1.57 3.57 -0.59 -0.56 116.94 119.80 3iru h PHE 118 Ca 0.03 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3iru h PHE 118 Cb 0.34 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3iru h PHE 118 CO 0.03 -0.24 0.45 -0.44 -2.23 0.00 0.00 178.31 175.89 3iru h ASP 119 N -0.03 0.78 -0.22 0.41 3.32 -0.95 -1.83 116.42 117.90 3iru h ASP 119 Ca 0.24 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 3iru h ASP 119 Cb 0.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3iru h ASP 119 CO -0.53 0.56 -0.46 0.11 -1.72 0.00 0.00 179.24 177.21 3iru h LYS 120 N 0.92 0.78 -0.15 3.56 1.57 -0.42 -1.66 116.57 121.18 3iru h LYS 120 Ca 0.25 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3iru h LYS 120 Cb -0.09 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3iru h LYS 120 CO -0.06 1.07 0.06 -0.07 -0.57 0.00 0.00 179.45 179.88 3iru h LEU 121 N 0.63 0.07 -0.57 2.94 3.38 -0.70 -2.52 115.31 118.55 3iru h LEU 121 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iru h LEU 121 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3iru h LEU 121 CO 0.10 0.07 0.31 0.40 0.09 0.00 0.00 178.44 179.40 3iru h ILE 122 N 0.14 1.19 0.00 1.22 1.08 -1.24 -1.41 117.51 118.48 3iru h ILE 122 Ca 0.06 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 3iru h ILE 122 Cb 0.03 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 3iru h ILE 122 CO -0.06 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 3iru h ALA 123 N 1.14 1.00 -0.02 1.87 0.00 -1.17 -1.86 119.26 120.21 3iru h ALA 123 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iru h ALA 123 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iru h ALA 123 CO -0.03 0.00 -0.31 0.94 0.00 0.00 0.00 179.25 179.85 3iru n GLN 124 N -2.62 1.50 -0.58 0.00 7.27 -0.79 -4.95 117.38 117.21 3iru n GLN 124 Ca -0.01 -1.21 0.00 0.00 0.07 0.00 0.00 57.00 55.85 3iru n GLN 124 Cb 0.14 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.32 3iru n GLN 124 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iru n GLY 125 N 1.38 0.67 3.75 1.69 0.00 -0.70 -5.05 105.19 106.93 3iru n GLY 125 Ca 0.11 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3iru n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iru s ILE 126 N -2.00 4.84 0.30 -0.61 1.01 -0.60 -4.97 121.20 119.17 3iru s ILE 126 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 61.94 3iru s ILE 126 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3iru s ILE 126 CO 0.00 0.37 0.76 -0.54 0.00 0.00 0.00 174.94 175.52 3iru s LYS 127 N 0.01 4.12 -0.09 2.79 1.02 -0.42 -4.16 119.74 123.00 3iru s LYS 127 Ca 0.36 0.79 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 3iru s LYS 127 Cb -0.19 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3iru s LYS 127 CO 0.20 0.22 -0.02 0.08 -0.92 0.00 0.00 175.35 174.91 3iru s VAL 128 N -1.85 0.58 0.22 3.17 1.01 -1.26 -0.31 120.40 121.96 3iru s VAL 128 Ca 0.51 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.54 3iru s VAL 128 Cb -0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3iru s VAL 128 CO 0.18 0.26 -0.19 -0.83 0.00 0.00 0.00 175.10 174.52 3iru s GLY 129 N 1.88 1.61 0.05 4.51 0.00 -0.06 -1.29 107.32 114.02 3iru s GLY 129 Ca 0.04 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.16 3iru s GLY 129 CO -0.06 -1.75 -0.18 -0.32 0.00 0.00 0.00 173.10 170.78 3iru s GLY 130 N -3.11 1.60 0.31 0.20 0.00 0.81 -1.27 107.32 105.86 3iru s GLY 130 Ca 0.23 -1.22 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3iru s GLY 130 CO 0.10 -1.13 0.20 0.54 0.00 0.00 0.00 173.10 172.81 3iru s ASN 131 N -1.57 1.52 -0.21 1.64 2.20 -0.91 -1.14 114.94 116.46 3iru s ASN 131 Ca 0.15 -1.62 -0.30 0.00 -0.94 0.00 0.00 52.86 50.15 3iru s ASN 131 Cb -0.11 0.46 0.16 0.00 -2.00 0.00 0.00 41.25 39.76 3iru s ASN 131 CO 0.06 -0.95 1.18 0.28 -2.94 0.00 0.00 177.10 174.73 3iru s THR 132 N -3.59 0.00 -0.62 0.54 -1.32 -1.17 -3.26 115.64 106.22 3iru s THR 132 Ca 0.37 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.10 3iru s THR 132 Cb 0.04 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.31 3iru s THR 132 CO 0.20 0.00 1.76 1.23 -2.21 0.00 0.00 174.62 175.60 3iru h GLY 133 N 2.26 0.00 -2.12 6.08 0.00 -1.82 -3.05 103.07 104.42 3iru h GLY 133 Ca -0.13 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.65 3iru h GLY 133 CO 0.26 0.00 0.08 -1.72 0.00 0.00 0.00 176.54 175.16 3iru n TYR 134 N -2.33 0.58 -1.95 5.60 4.01 -1.26 -3.64 117.16 118.16 3iru n TYR 134 Ca 0.04 0.39 -0.30 0.00 -0.16 0.00 0.00 57.90 57.87 3iru n TYR 134 Cb 0.37 -2.06 0.04 0.00 -0.31 0.00 0.00 39.34 37.38 3iru n TYR 134 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3iru s GLY 135 N -1.71 1.63 0.28 2.72 0.00 -1.26 -2.39 107.32 106.58 3iru s GLY 135 Ca 0.72 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.10 3iru s GLY 135 CO 0.51 -0.02 1.71 -0.56 0.00 0.00 0.00 173.10 174.75 3iru h PRO 136 N -0.57 0.44 -4.72 2.90 0.13 -1.96 -3.42 132.00 124.80 3iru h PRO 136 Ca -0.45 -0.18 -0.31 0.00 -0.87 0.00 0.00 66.00 64.20 3iru h PRO 136 Cb 1.25 -0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.44 3iru h PRO 136 CO 0.63 0.69 1.02 0.41 -0.23 0.00 0.00 178.00 180.52 3iru n GLY 137 N -0.33 0.61 0.00 1.56 0.00 -1.26 -4.85 105.19 100.92 3iru n GLY 137 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3iru n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iru n ALA 140 N 6.60 0.00 0.20 4.61 0.00 -1.26 -4.92 120.51 125.74 3iru n ALA 140 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.74 3iru n ALA 140 Cb 0.27 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.15 3iru n ALA 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3iru h PRO 141 N 0.00 0.00 -0.05 0.00 0.11 -1.91 -2.78 132.00 127.37 3iru h PRO 141 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3iru h PRO 141 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3iru h PRO 141 CO 0.00 0.31 -0.88 0.00 -0.21 0.00 0.00 178.00 177.22 3iru h ALA 142 N 1.69 0.35 -0.39 -0.75 0.00 -1.94 -1.70 119.26 116.51 3iru h ALA 142 Ca -0.00 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.30 3iru h ALA 142 Cb 0.62 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3iru h ALA 142 CO 0.04 0.75 0.10 -0.07 0.00 0.00 0.00 179.25 180.07 3iru h LEU 143 N 0.35 0.07 0.24 0.00 3.38 -1.92 0.37 115.31 117.78 3iru h LEU 143 Ca -0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3iru h LEU 143 Cb 1.51 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 3iru h LEU 143 CO 0.16 0.07 -0.15 0.40 0.09 0.00 0.00 178.44 179.01 3iru h ILE 144 N 0.24 0.67 -0.79 1.22 2.04 -1.43 -2.02 117.51 117.44 3iru h ILE 144 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 3iru h ILE 144 Cb 0.20 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3iru h ILE 144 CO -0.22 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.43 3iru h ALA 145 N 0.37 1.04 -0.67 1.87 0.00 -0.90 -1.02 119.26 119.95 3iru h ALA 145 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3iru h ALA 145 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iru h ALA 145 CO 0.01 0.31 0.16 0.00 0.00 0.00 0.00 179.25 179.74 3iru h ALA 146 N 1.34 1.03 -0.23 0.00 0.00 -0.21 -1.92 119.26 119.27 3iru h ALA 146 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3iru h ALA 146 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iru h ALA 146 CO -0.12 0.64 0.06 -0.22 0.00 0.00 0.00 179.25 179.61 3iru h LYS 147 N 1.00 0.36 -0.83 0.00 3.64 -0.88 -0.39 116.57 119.48 3iru h LYS 147 Ca 0.21 -0.09 0.19 0.00 -1.27 0.00 0.00 60.65 59.70 3iru h LYS 147 Cb 0.35 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3iru h LYS 147 CO 0.00 0.47 0.56 0.93 -2.27 0.00 0.00 179.45 179.14 3iru h GLU 148 N 0.19 0.30 -0.19 1.90 5.08 -0.97 1.00 114.58 121.88 3iru h GLU 148 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3iru h GLU 148 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3iru h GLU 148 CO 0.00 0.20 0.00 1.04 -1.00 0.00 0.00 179.01 179.25 3iru n GLN 149 N -4.45 1.60 -0.50 2.33 6.02 -0.74 -4.94 117.38 116.70 3iru n GLN 149 Ca 0.17 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 3iru n GLN 149 Cb 0.69 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.64 3iru n GLN 149 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iru n GLY 150 N 1.01 0.75 3.43 1.08 0.00 0.34 -4.95 105.19 106.85 3iru n GLY 150 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3iru n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iru s TYR 151 N -2.41 3.14 -0.69 1.61 5.04 -0.22 -4.97 117.35 118.86 3iru s TYR 151 Ca 0.00 -0.68 0.05 0.00 -2.44 0.00 0.00 57.07 54.00 3iru s TYR 151 Cb 0.00 -3.32 0.25 0.00 0.35 0.00 0.00 41.96 39.23 3iru s TYR 151 CO 0.00 -0.90 0.79 0.25 -1.34 0.00 0.00 175.55 174.34 3iru n THR 152 N 5.43 2.56 -1.64 4.34 -2.24 -1.26 -3.39 114.28 118.07 3iru n THR 152 Ca -0.09 -5.25 -0.44 0.00 -2.27 0.00 0.00 64.05 56.00 3iru n THR 152 Cb 0.45 -2.11 -0.01 0.00 -2.10 0.00 0.00 70.33 66.55 3iru n THR 152 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3iru n PRO 153 N 1.02 1.75 0.16 -0.78 -0.04 -1.26 -4.85 135.00 130.99 3iru n PRO 153 Ca 0.29 0.61 0.13 0.00 -0.04 0.00 0.00 63.50 64.49 3iru n PRO 153 Cb 0.40 -2.09 0.45 0.00 -0.04 0.00 0.00 33.50 32.22 3iru n PRO 153 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iru h ALA 154 N 2.29 1.00 -3.00 0.55 0.00 -1.59 -3.44 119.26 115.08 3iru h ALA 154 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 3iru h ALA 154 Cb 1.31 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.81 3iru h ALA 154 CO 0.62 0.00 -0.46 0.45 0.00 0.00 0.00 179.25 179.86 3iru s SER 155 N -4.81 -0.29 -0.08 0.00 0.15 -1.25 -4.97 113.70 102.45 3iru s SER 155 Ca 0.06 0.56 0.02 0.00 0.70 0.00 0.00 55.95 57.29 3iru s SER 155 Cb 0.10 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 3iru s SER 155 CO 0.52 -0.15 -0.11 0.42 1.20 0.00 0.00 173.24 175.11 3iru s THR 156 N 1.08 1.12 -0.00 6.45 -4.23 -1.26 -0.13 115.64 118.66 3iru s THR 156 Ca -0.08 -0.44 0.07 0.00 -1.18 0.00 0.00 61.69 60.06 3iru s THR 156 Cb -0.09 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 3iru s THR 156 CO -0.07 0.36 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.44 3iru s VAL 157 N 0.89 2.32 0.30 2.29 1.01 -0.29 -4.98 120.40 121.94 3iru s VAL 157 Ca -0.10 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 60.85 3iru s VAL 157 Cb -0.15 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 3iru s VAL 157 CO 0.01 0.51 -0.09 -0.36 0.00 0.00 0.00 175.10 175.17 3iru s PHE 158 N -0.71 2.17 0.45 5.22 0.08 -1.26 -3.04 117.98 120.89 3iru s PHE 158 Ca 0.11 -0.57 0.19 0.00 0.12 0.00 0.00 56.93 56.78 3iru s PHE 158 Cb -0.10 -1.20 1.14 0.00 -0.57 0.00 0.00 43.02 42.30 3iru s PHE 158 CO 0.01 0.46 1.90 0.00 -0.10 0.00 0.00 175.22 177.49 3iru h ALA 159 N 2.18 2.26 -0.86 5.36 0.00 -1.35 -1.28 119.26 125.56 3iru h ALA 159 Ca -0.41 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.59 3iru h ALA 159 Cb 1.24 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3iru h ALA 159 CO 0.67 -0.49 0.56 1.15 0.00 0.00 0.00 179.25 181.15 3iru h THR 160 N 0.33 1.00 0.00 0.00 2.02 -1.91 -3.15 112.91 111.20 3iru h THR 160 Ca 0.40 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3iru h THR 160 Cb 1.06 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3iru h THR 160 CO -0.11 0.16 -0.03 0.44 0.37 0.00 0.00 175.52 176.35 3iru h ASP 161 N 0.89 0.00 -3.78 4.18 3.32 -1.63 -3.45 116.42 115.95 3iru h ASP 161 Ca 0.39 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.04 3iru h ASP 161 Cb 0.34 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.73 3iru h ASP 161 CO -0.16 0.03 -0.74 0.68 -1.72 0.00 0.00 179.24 177.33 3iru s VAL 162 N -3.93 1.41 0.05 -1.35 -7.23 -1.19 -5.04 120.40 103.11 3iru s VAL 162 Ca -0.02 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 57.92 3iru s VAL 162 Cb 0.11 -1.77 -0.17 0.00 0.56 0.00 0.00 36.38 35.11 3iru s VAL 162 CO 0.51 -0.56 1.48 0.58 -0.31 0.00 0.00 175.10 176.80 3iru h VAL 163 N 3.03 0.63 -3.77 1.32 2.07 -1.88 -3.45 116.25 114.20 3iru h VAL 163 Ca -0.38 -0.26 -0.68 0.00 0.82 0.00 0.00 66.70 66.20 3iru h VAL 163 Cb 1.20 0.76 -0.19 0.00 -1.52 0.00 0.00 31.29 31.54 3iru h VAL 163 CO 0.57 0.05 -0.76 -0.13 0.02 0.00 0.00 177.57 177.32 3iru s ARG 164 N -5.48 2.21 0.00 1.57 0.52 -1.26 -5.11 118.95 111.39 3iru s ARG 164 Ca -0.15 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 3iru s ARG 164 Cb 0.03 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.21 3iru s ARG 164 CO 0.60 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.88 3iru n GLY 165 N 1.35 1.90 3.73 -3.53 0.00 -1.26 -4.72 105.19 102.67 3iru n GLY 165 Ca -0.15 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 3iru n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iru n ARG 166 N 0.00 1.60 -0.15 1.61 1.74 -1.26 -1.79 116.66 118.41 3iru n ARG 166 Ca 0.00 0.59 0.06 0.00 -0.77 0.00 0.00 57.85 57.73 3iru n ARG 166 Cb 0.00 -2.54 0.18 0.00 -1.02 0.00 0.00 32.46 29.07 3iru n ARG 166 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iru n PRO 167 N -1.05 1.72 -1.84 5.56 -0.04 -1.26 -4.60 135.00 133.49 3iru n PRO 167 Ca 0.11 -1.11 -0.34 0.00 -0.04 0.00 0.00 63.50 62.12 3iru n PRO 167 Cb 0.45 -1.26 0.04 0.00 -0.04 0.00 0.00 33.50 32.69 3iru n PRO 167 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iru s PHE 168 N -1.61 2.53 -0.22 0.54 0.40 -0.74 -2.93 117.98 115.94 3iru s PHE 168 Ca 0.23 1.55 0.28 0.00 -0.60 0.00 0.00 56.93 58.39 3iru s PHE 168 Cb 0.12 -3.26 1.15 0.00 0.51 0.00 0.00 43.02 41.54 3iru s PHE 168 CO 0.16 -1.83 1.84 -1.00 0.70 0.00 0.00 175.22 175.08 3iru h PRO 169 N 0.30 0.00 0.00 0.24 0.13 -1.85 -3.43 132.00 127.38 3iru h PRO 169 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3iru h PRO 169 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3iru h PRO 169 CO 0.54 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.06 3iru n ASP 170 N -2.63 0.00 0.00 1.44 9.92 -1.26 -2.02 116.55 122.00 3iru n ASP 170 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 3iru n ASP 170 Cb 0.27 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 3iru n ASP 170 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iru n ALA 172 N 0.00 0.00 -0.12 2.24 0.00 -1.26 -1.50 120.51 119.87 3iru n ALA 172 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3iru n ALA 172 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3iru n ALA 172 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iru h LEU 173 N 0.00 0.47 -0.69 0.00 3.38 -1.78 -1.80 115.31 114.89 3iru h LEU 173 Ca 0.00 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3iru h LEU 173 Cb 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3iru h LEU 173 CO 0.00 0.39 0.35 0.50 0.09 0.00 0.00 178.44 179.77 3iru h LYS 174 N 0.51 0.58 -0.66 1.13 1.63 -1.54 0.22 116.57 118.43 3iru h LYS 174 Ca 0.14 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 3iru h LYS 174 Cb 0.01 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3iru h LYS 174 CO -0.03 0.38 0.16 0.28 -3.45 0.00 0.00 179.45 176.80 3iru h VAL 175 N 0.60 1.26 -0.40 2.00 2.07 -1.77 -2.03 116.25 117.97 3iru h VAL 175 Ca 0.34 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3iru h VAL 175 Cb 0.34 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3iru h VAL 175 CO -0.26 0.36 0.16 0.00 0.02 0.00 0.00 177.57 177.86 3iru h ALA 176 N 1.07 0.52 -0.16 1.67 0.00 -0.67 0.20 119.26 121.89 3iru h ALA 176 Ca 0.21 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3iru h ALA 176 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3iru h ALA 176 CO 0.00 0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 179.17 3iru h LEU 177 N 0.51 -0.45 -0.98 0.00 3.38 -0.94 0.88 115.31 117.71 3iru h LEU 177 Ca 0.13 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3iru h LEU 177 Cb 0.19 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3iru h LEU 177 CO -0.01 -0.18 0.44 -0.33 0.09 0.00 0.00 178.44 178.44 3iru h GLU 178 N -0.16 1.15 0.00 1.13 5.08 -0.98 -2.03 114.58 118.77 3iru h GLU 178 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3iru h GLU 178 Cb 0.31 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3iru h GLU 178 CO -0.25 0.86 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.50 3iru h LEU 179 N 1.16 0.00 -2.50 1.33 3.38 -0.39 -3.48 115.31 114.80 3iru h LEU 179 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 3iru h LEU 179 Cb 0.05 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.89 3iru h LEU 179 CO -0.04 0.04 -0.40 -0.62 0.09 0.00 0.00 178.44 177.51 3iru n GLU 180 N -3.13 -1.55 -2.99 1.13 1.02 0.27 -5.01 120.64 110.38 3iru n GLU 180 Ca 0.02 1.02 -0.32 0.00 -0.02 0.00 0.00 57.16 57.85 3iru n GLU 180 Cb 0.42 -5.16 -0.06 0.00 -0.02 0.00 0.00 31.44 26.62 3iru n GLU 180 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3iru s VAL 181 N -3.18 4.60 0.20 2.62 -7.23 -1.00 -4.99 120.40 111.42 3iru s VAL 181 Ca 0.21 1.07 0.10 0.00 -1.81 0.00 0.00 61.98 61.56 3iru s VAL 181 Cb -0.03 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 3iru s VAL 181 CO 0.63 -0.28 1.51 1.23 -0.31 0.00 0.00 175.10 177.88 3iru h GLY 182 N 1.99 0.00 -5.31 2.32 0.00 -1.95 -3.47 103.07 96.66 3iru h GLY 182 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 3iru h GLY 182 CO 0.64 0.00 -0.16 -1.58 0.00 0.00 0.00 176.54 175.44 3iru s HIS 183 N -3.30 -0.66 0.31 5.60 2.46 -1.26 -5.04 115.29 113.40 3iru s HIS 183 Ca -0.00 1.47 -0.00 0.00 0.47 0.00 0.00 55.06 56.99 3iru s HIS 183 Cb 0.11 0.30 0.51 0.00 -0.13 0.00 0.00 32.58 33.37 3iru s HIS 183 CO 0.77 -0.34 1.98 -0.39 -2.47 0.00 0.00 174.74 174.29 3iru h VAL 184 N 4.90 1.18 0.00 0.89 -1.51 -1.90 -1.53 116.25 118.29 3iru h VAL 184 Ca -0.31 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3iru h VAL 184 Cb 1.19 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3iru h VAL 184 CO 0.22 0.19 0.00 0.59 -1.23 0.00 0.00 177.57 177.34 3iru n ASN 185 N -4.42 0.00 -0.80 4.19 3.02 -1.21 -1.71 115.26 114.33 3iru n ASN 185 Ca 0.09 0.35 0.10 0.00 -0.03 0.00 0.00 54.58 55.09 3iru n ASN 185 Cb 0.05 -0.42 0.29 0.00 -0.61 0.00 0.00 39.78 39.09 3iru n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iru n GLY 186 N -0.30 0.90 3.70 7.41 0.00 -0.57 -4.74 105.19 111.59 3iru n GLY 186 Ca 0.04 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3iru n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iru s ILE 188 N -1.17 2.97 0.04 0.00 1.01 -0.87 -0.97 121.20 122.20 3iru s ILE 188 Ca 0.22 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 3iru s ILE 188 Cb -0.12 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3iru s ILE 188 CO 0.13 0.44 0.64 -0.75 0.00 0.00 0.00 174.94 175.40 3iru s LYS 189 N 1.42 4.35 -0.06 2.79 2.47 -0.12 -0.61 119.74 129.97 3iru s LYS 189 Ca 0.05 0.84 0.05 0.00 -1.56 0.00 0.00 55.97 55.35 3iru s LYS 189 Cb -0.14 -3.32 -0.00 0.00 -1.46 0.00 0.00 37.83 32.91 3iru s LYS 189 CO -0.06 0.43 -0.21 0.08 0.16 0.00 0.00 175.35 175.75 3iru s VAL 190 N -0.44 1.73 0.11 4.02 1.01 0.17 -0.19 120.40 126.80 3iru s VAL 190 Ca 0.32 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 3iru s VAL 190 Cb -0.19 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.77 3iru s VAL 190 CO 0.20 0.49 0.66 -0.62 0.00 0.00 0.00 175.10 175.82 3iru s ASP 191 N 0.12 -0.55 0.00 3.32 -1.08 -0.66 -1.47 116.67 116.36 3iru s ASP 191 Ca -0.09 0.08 0.15 0.00 -0.52 0.00 0.00 52.55 52.17 3iru s ASP 191 Cb -0.14 0.56 0.29 0.00 -1.46 0.00 0.00 42.92 42.17 3iru s ASP 191 CO 0.04 -0.87 1.19 -0.90 0.52 0.00 0.00 175.17 175.15 3iru n ASP 192 N -0.22 2.85 -4.29 -0.34 5.75 -1.26 -1.59 116.55 117.45 3iru n ASP 192 Ca -0.16 -1.84 -0.25 0.00 -0.01 0.00 0.00 54.79 52.53 3iru n ASP 192 Cb 0.64 -0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 40.42 3iru n ASP 192 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3iru s THR 193 N -1.14 1.75 0.20 2.12 -4.23 -1.26 -4.22 115.64 108.86 3iru s THR 193 Ca 0.26 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3iru s THR 193 Cb 0.15 -1.57 0.12 0.00 1.34 0.00 0.00 72.50 72.53 3iru s THR 193 CO 0.21 -0.01 1.75 -0.07 -0.54 0.00 0.00 174.62 175.96 3iru h LEU 194 N 4.17 0.23 -1.71 4.79 4.07 -1.96 -1.94 115.31 122.96 3iru h LEU 194 Ca -0.46 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.53 3iru h LEU 194 Cb 1.18 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 3iru h LEU 194 CO 0.40 0.15 -0.17 -0.65 -1.08 0.00 0.00 178.44 177.09 3iru h PRO 195 N 0.40 0.00 -0.21 1.13 0.11 -1.96 -2.10 132.00 129.38 3iru h PRO 195 Ca 0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 3iru h PRO 195 Cb 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3iru h PRO 195 CO -0.26 0.17 -0.24 0.78 -0.21 0.00 0.00 178.00 178.24 3iru h GLY 196 N 0.94 0.57 0.65 -0.55 0.00 -1.73 -1.83 103.07 101.12 3iru h GLY 196 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 46.75 3iru h GLY 196 CO 0.02 0.55 -0.09 -2.22 0.00 0.00 0.00 176.54 174.80 3iru h ILE 197 N 0.20 0.74 -0.89 2.60 1.08 -1.10 -2.36 117.51 117.78 3iru h ILE 197 Ca 0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 3iru h ILE 197 Cb 0.80 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 3iru h ILE 197 CO 0.06 0.00 0.58 -0.08 -0.69 0.00 0.00 178.15 178.02 3iru h GLU 198 N -0.11 0.99 -0.60 2.37 4.81 -1.32 -1.23 114.58 119.49 3iru h GLU 198 Ca 0.07 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3iru h GLU 198 Cb 0.21 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3iru h GLU 198 CO -0.16 0.65 0.29 1.49 -0.73 0.00 0.00 179.01 180.55 3iru h GLU 199 N 1.02 0.52 -0.18 1.92 4.81 -1.01 -0.22 114.58 121.44 3iru h GLU 199 Ca 0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3iru h GLU 199 Cb 0.19 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3iru h GLU 199 CO -0.14 0.34 0.07 0.78 -0.73 0.00 0.00 179.01 179.34 3iru h GLY 200 N 0.54 0.28 0.77 1.92 0.00 -0.74 -2.66 103.07 103.17 3iru h GLY 200 Ca 0.28 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.52 3iru h GLY 200 CO -0.21 0.14 0.63 1.41 0.00 0.00 0.00 176.54 178.51 3iru h LEU 201 N 0.13 1.02 -0.17 3.11 3.38 -0.96 -2.37 115.31 119.45 3iru h LEU 201 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iru h LEU 201 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iru h LEU 201 CO -0.01 0.66 0.00 0.03 0.09 0.00 0.00 178.44 179.22 3iru h ARG 202 N 1.17 0.00 -0.44 1.13 3.08 -0.93 -2.64 114.38 115.74 3iru h ARG 202 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3iru h ARG 202 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3iru h ARG 202 CO -0.16 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.74 3iru n ALA 203 N -1.90 2.43 -2.13 0.04 0.00 -0.90 -4.83 120.51 113.21 3iru n ALA 203 Ca 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 53.44 52.67 3iru n ALA 203 Cb 0.43 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.93 3iru n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iru n GLY 204 N 1.22 -0.31 3.95 0.00 0.00 -1.00 -4.88 105.19 104.17 3iru n GLY 204 Ca 0.15 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3iru n GLY 204 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iru s TRP 206 N -3.07 3.48 -0.02 1.61 0.52 -0.14 -3.35 118.94 117.97 3iru s TRP 206 Ca 0.08 0.11 0.04 0.00 0.02 0.00 0.00 56.10 56.35 3iru s TRP 206 Cb -0.01 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 3iru s TRP 206 CO 0.29 0.50 -0.13 0.95 0.02 0.00 0.00 176.95 178.58 3iru s THR 207 N -1.77 1.02 -0.12 2.01 -4.23 -1.26 -0.95 115.64 110.35 3iru s THR 207 Ca 0.35 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 3iru s THR 207 Cb -0.11 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 3iru s THR 207 CO 0.29 0.29 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.77 3iru s VAL 208 N -0.18 2.36 0.07 2.29 1.01 0.73 -2.01 120.40 124.68 3iru s VAL 208 Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 3iru s VAL 208 Cb -0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 3iru s VAL 208 CO -0.00 0.54 0.49 -0.83 0.00 0.00 0.00 175.10 175.30 3iru s GLY 209 N 0.46 2.50 -0.17 4.51 0.00 0.14 -1.65 107.32 113.11 3iru s GLY 209 Ca -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 3iru s GLY 209 CO 0.06 0.17 -0.07 -1.34 0.00 0.00 0.00 173.10 171.92 3iru s VAL 210 N -1.25 3.48 -0.24 1.40 -7.23 -0.62 -0.73 120.40 115.21 3iru s VAL 210 Ca 0.31 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 3iru s VAL 210 Cb -0.16 -2.52 -0.18 0.00 0.56 0.00 0.00 36.38 34.08 3iru s VAL 210 CO 0.17 0.48 -0.12 -1.54 -0.31 0.00 0.00 175.10 173.78 3iru n SER 211 N 3.90 2.00 -0.00 4.85 3.41 -0.11 -4.52 113.62 123.15 3iru n SER 211 Ca -0.18 0.05 -0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3iru n SER 211 Cb 0.52 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 3iru n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iru n SER 213 N -2.75 2.53 0.00 0.00 3.41 -1.07 -4.74 113.62 111.01 3iru n SER 213 Ca -0.14 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3iru n SER 213 Cb 0.86 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3iru n SER 213 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iru n GLY 214 N 1.31 5.24 0.26 5.00 0.00 -1.20 0.18 105.19 115.98 3iru n GLY 214 Ca 0.17 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.79 3iru n GLY 214 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3iru h ASN 215 N 0.00 0.00 0.63 1.61 -1.24 -1.77 -0.71 115.58 114.10 3iru h ASN 215 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 3iru h ASN 215 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3iru h ASN 215 CO 0.00 0.07 -0.44 -0.33 -1.29 0.00 0.00 177.43 175.44 3iru h GLU 216 N 0.00 0.00 0.00 6.67 4.39 -1.81 -3.35 114.58 120.48 3iru h GLU 216 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 3iru h GLU 216 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3iru h GLU 216 CO 0.01 0.44 -1.49 0.28 -1.16 0.00 0.00 179.01 177.10 3iru n VAL 217 N -3.76 1.50 -0.71 3.13 0.31 -1.03 -4.81 118.33 112.96 3iru n VAL 217 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3iru n VAL 217 Cb 0.51 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 3iru n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iru n GLY 218 N 1.41 0.58 3.72 2.92 0.00 -0.30 -5.05 105.19 108.47 3iru n GLY 218 Ca -0.27 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 3iru n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iru s LEU 219 N 0.00 3.68 1.05 0.99 1.43 -1.26 -4.88 118.68 119.70 3iru s LEU 219 Ca 0.00 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 3iru s LEU 219 Cb 0.00 -2.09 0.22 0.00 0.03 0.00 0.00 46.19 44.35 3iru s LEU 219 CO 0.00 0.29 1.11 1.51 0.23 0.00 0.00 176.35 179.49 3iru s ASP 220 N -1.53 2.19 0.20 2.29 -4.77 -1.26 -3.49 116.67 110.30 3iru s ASP 220 Ca 0.20 0.96 -0.11 0.00 -3.30 0.00 0.00 52.55 50.30 3iru s ASP 220 Cb -0.12 -1.48 0.18 0.00 -1.09 0.00 0.00 42.92 40.41 3iru s ASP 220 CO 0.10 -3.37 1.81 0.03 0.70 0.00 0.00 175.17 174.44 3iru h ARG 221 N -2.06 0.63 -0.36 2.11 3.08 -2.00 -0.92 114.38 114.86 3iru h ARG 221 Ca -0.52 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.49 3iru h ARG 221 Cb 1.32 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3iru h ARG 221 CO 0.51 0.42 0.21 1.49 -1.07 0.00 0.00 179.97 181.53 3iru h GLU 222 N 0.65 0.49 -0.03 0.04 4.81 -1.99 0.37 114.58 118.92 3iru h GLU 222 Ca 0.26 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3iru h GLU 222 Cb 0.12 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3iru h GLU 222 CO -0.15 0.37 -0.50 -0.44 -0.73 0.00 0.00 179.01 177.57 3iru h ASP 223 N 0.47 0.07 -0.26 1.04 3.32 -1.81 -2.24 116.42 117.01 3iru h ASP 223 Ca 0.13 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3iru h ASP 223 Cb 0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3iru h ASP 223 CO -0.02 0.56 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.73 3iru h TRP 224 N 0.05 0.58 -0.63 4.55 2.91 -0.78 -3.13 115.95 119.50 3iru h TRP 224 Ca -0.00 -0.13 0.10 0.00 1.13 0.00 0.00 58.89 59.99 3iru h TRP 224 Cb 0.90 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 29.33 3iru h TRP 224 CO 0.00 0.74 0.25 1.96 -1.03 0.00 0.00 178.44 180.35 3iru h GLN 225 N 0.26 0.42 0.00 2.65 1.08 -0.74 -2.78 115.11 116.00 3iru h GLN 225 Ca 0.06 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3iru h GLN 225 Cb 0.56 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3iru h GLN 225 CO 0.03 0.28 -0.05 0.00 -0.95 0.00 0.00 178.83 178.14 3iru h ALA 226 N 1.43 1.40 -2.38 3.87 0.00 -1.38 -3.43 119.26 118.77 3iru h ALA 226 Ca 0.32 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.67 3iru h ALA 226 Cb 0.40 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.31 3iru h ALA 226 CO -0.31 0.06 0.34 -0.51 0.00 0.00 0.00 179.25 178.82 3iru s LEU 227 N -7.44 3.17 0.64 0.00 1.43 -1.05 -5.06 118.68 110.37 3iru s LEU 227 Ca -0.04 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.98 3iru s LEU 227 Cb 0.14 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.89 3iru s LEU 227 CO 0.55 -1.96 0.91 -0.94 0.23 0.00 0.00 176.35 175.14 3iru s SER 228 N -2.98 4.86 0.26 2.29 1.04 -1.26 -4.88 113.70 113.02 3iru s SER 228 Ca 0.64 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 3iru s SER 228 Cb -0.19 -0.69 0.50 0.00 0.10 0.00 0.00 66.02 65.73 3iru s SER 228 CO 0.50 -1.49 1.78 0.28 0.98 0.00 0.00 173.24 175.29 3iru h SER 229 N -0.30 0.60 0.19 7.02 0.02 -1.97 -0.53 113.55 118.59 3iru h SER 229 Ca -0.41 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.43 3iru h SER 229 Cb 1.29 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3iru h SER 229 CO 0.51 0.29 -0.71 0.44 -1.14 0.00 0.00 176.83 176.22 3iru h ASP 230 N 0.70 0.54 -0.12 3.07 3.32 -1.97 0.43 116.42 122.39 3iru h ASP 230 Ca 0.45 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3iru h ASP 230 Cb 0.56 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3iru h ASP 230 CO -0.32 1.09 0.02 -0.33 -1.72 0.00 0.00 179.24 177.97 3iru h GLU 231 N 0.32 0.19 -0.10 3.56 5.08 -1.81 -0.90 114.58 120.93 3iru h GLU 231 Ca -0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3iru h GLU 231 Cb 1.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3iru h GLU 231 CO 0.13 0.39 -0.02 1.96 -1.00 0.00 0.00 179.01 180.47 3iru h GLN 232 N -0.03 0.01 -0.96 2.33 4.20 -0.99 -2.01 115.11 117.65 3iru h GLN 232 Ca 0.04 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.83 3iru h GLN 232 Cb 0.29 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 3iru h GLN 232 CO 0.00 0.01 0.62 0.37 -0.67 0.00 0.00 178.83 179.16 3iru h GLN 233 N 0.01 1.03 -0.07 1.46 5.75 -0.07 0.31 115.11 123.52 3iru h GLN 233 Ca 0.05 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3iru h GLN 233 Cb 0.06 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 3iru h GLN 233 CO -0.09 0.68 0.03 1.03 -2.65 0.00 0.00 178.83 177.83 3iru h SER 234 N 1.06 0.10 -0.13 -0.69 0.87 -0.84 -1.18 113.55 112.74 3iru h SER 234 Ca 0.43 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3iru h SER 234 Cb 0.28 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3iru h SER 234 CO -0.19 0.21 0.08 1.88 -0.53 0.00 0.00 176.83 178.28 3iru h TYR 235 N -0.02 0.16 -0.40 2.24 0.05 -0.83 -2.41 116.97 115.76 3iru h TYR 235 Ca 0.02 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.89 3iru h TYR 235 Cb 0.14 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.75 3iru h TYR 235 CO -0.03 0.12 -0.14 -0.09 -1.05 0.00 0.00 178.16 176.97 3iru h ARG 236 N 0.16 -0.06 -0.71 4.88 2.43 -0.82 -0.35 114.38 119.91 3iru h ARG 236 Ca 0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3iru h ARG 236 Cb -0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3iru h ARG 236 CO -0.01 -0.04 0.29 1.96 -1.51 0.00 0.00 179.97 180.67 3iru h GLN 237 N -0.06 1.05 -0.44 0.20 1.08 -1.12 0.19 115.11 116.02 3iru h GLN 237 Ca 0.19 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3iru h GLN 237 Cb 0.35 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3iru h GLN 237 CO -0.44 0.86 0.19 1.25 -0.95 0.00 0.00 178.83 179.74 3iru h HIS 238 N 1.01 0.66 0.19 2.96 2.76 -0.92 -2.20 115.15 119.61 3iru h HIS 238 Ca 0.24 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3iru h HIS 238 Cb 0.19 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3iru h HIS 238 CO 0.01 0.55 -0.09 0.00 -1.30 0.00 0.00 177.93 177.11 3iru h ALA 239 N 1.04 -0.26 -0.92 5.26 0.00 -0.53 -2.35 119.26 121.50 3iru h ALA 239 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3iru h ALA 239 Cb 0.16 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3iru h ALA 239 CO -0.02 -0.60 0.55 0.93 0.00 0.00 0.00 179.25 180.12 3iru h GLU 240 N -0.35 0.87 -0.38 0.00 5.08 -0.63 -1.76 114.58 117.42 3iru h GLU 240 Ca -0.03 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3iru h GLU 240 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3iru h GLU 240 CO 0.04 0.58 -0.33 0.37 -1.00 0.00 0.00 179.01 178.67 3iru h GLN 241 N 0.90 0.85 -0.52 2.33 5.75 -1.24 0.18 115.11 123.36 3iru h GLN 241 Ca 0.45 -0.41 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3iru h GLN 241 Cb 0.43 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3iru h GLN 241 CO -0.26 1.05 0.04 0.00 -2.65 0.00 0.00 178.83 177.01 3iru h ARG 242 N 0.71 0.90 -0.07 1.69 3.08 -0.82 -2.39 114.38 117.48 3iru h ARG 242 Ca 0.07 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3iru h ARG 242 Cb 0.90 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3iru h ARG 242 CO 0.08 0.90 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.64 3iru h LEU 243 N 0.78 0.28 -1.45 3.04 3.38 -1.09 -1.73 115.31 118.51 3iru h LEU 243 Ca 0.15 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.64 3iru h LEU 243 Cb 0.47 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3iru h LEU 243 CO 0.02 0.82 0.49 -0.26 0.09 0.00 0.00 178.44 179.61 3iru h PHE 244 N -0.26 0.65 -0.00 1.13 0.04 -0.70 -0.62 116.94 117.18 3iru h PHE 244 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3iru h PHE 244 Cb 0.79 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3iru h PHE 244 CO 0.12 0.29 -0.30 0.09 -0.60 0.00 0.00 178.31 177.91 3iru n ASN 245 N -4.50 0.47 0.18 2.17 3.02 -0.90 -2.23 115.26 113.47 3iru n ASN 245 Ca 0.13 -0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 3iru n ASN 245 Cb 0.39 0.03 0.21 0.00 -0.61 0.00 0.00 39.78 39.79 3iru n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iru h ALA 246 N 3.20 0.94 0.00 5.41 0.00 -0.19 -3.48 119.26 125.14 3iru h ALA 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iru h ALA 246 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3iru h ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3iru n GLY 247 N 1.16 1.34 3.65 0.00 0.00 -0.82 -4.80 105.19 105.72 3iru n GLY 247 Ca 0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.58 3iru n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iru n ALA 248 N -0.49 0.68 0.14 4.61 0.00 -0.82 -4.86 120.51 119.76 3iru n ALA 248 Ca 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 3iru n ALA 248 Cb 0.00 -2.27 0.23 0.00 0.00 0.00 0.00 19.45 17.41 3iru n ALA 248 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iru h HIS 249 N 5.46 0.07 -3.69 0.00 -0.00 -1.76 -3.43 115.15 111.80 3iru h HIS 249 Ca -0.46 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 59.75 3iru h HIS 249 Cb 1.28 -0.02 -0.19 0.00 -0.00 0.00 0.00 27.41 28.48 3iru h HIS 249 CO 0.61 0.56 -0.52 0.71 -0.00 0.00 0.00 177.93 179.30 3iru s TYR 250 N -3.87 0.14 -0.05 2.45 2.02 -0.94 -5.03 117.35 112.07 3iru s TYR 250 Ca -0.02 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3iru s TYR 250 Cb 0.13 -0.10 0.02 0.00 -0.40 0.00 0.00 41.96 41.61 3iru s TYR 250 CO 0.76 -0.32 -0.05 0.08 -1.57 0.00 0.00 175.55 174.44 3iru s VAL 251 N -2.04 0.61 0.26 0.71 1.01 -1.26 0.24 120.40 119.94 3iru s VAL 251 Ca -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3iru s VAL 251 Cb -0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3iru s VAL 251 CO -0.02 0.24 0.01 0.27 0.00 0.00 0.00 175.10 175.61 3iru s ILE 252 N 0.94 1.11 0.24 2.22 -4.36 0.09 -4.95 121.20 116.48 3iru s ILE 252 Ca -0.11 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.22 3iru s ILE 252 Cb -0.14 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.14 3iru s ILE 252 CO 0.00 -0.21 1.69 0.44 0.24 0.00 0.00 174.94 177.10 3iru h ASP 253 N 2.35 0.76 -5.44 4.36 5.19 -1.94 -0.27 116.42 121.43 3iru h ASP 253 Ca -0.39 -0.23 0.23 0.00 -0.62 0.00 0.00 57.03 56.02 3iru h ASP 253 Cb 1.23 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.44 3iru h ASP 253 CO 0.66 0.91 0.62 -0.94 -3.12 0.00 0.00 179.24 177.37 3iru s SER 254 N -6.71 -0.14 0.17 6.45 1.04 -1.26 -1.29 113.70 111.96 3iru s SER 254 Ca -0.09 -0.28 0.16 0.00 0.48 0.00 0.00 55.95 56.22 3iru s SER 254 Cb 0.14 0.35 0.74 0.00 0.10 0.00 0.00 66.02 67.35 3iru s SER 254 CO 0.82 -0.64 1.48 1.33 0.98 0.00 0.00 173.24 177.21 3iru n VAL 255 N -0.46 1.21 0.33 5.02 0.24 -1.26 -1.74 118.33 121.67 3iru n VAL 255 Ca -0.07 0.47 0.11 0.00 -2.04 0.00 0.00 64.34 62.81 3iru n VAL 255 Cb 0.61 -1.41 0.49 0.00 -1.47 0.00 0.00 33.84 32.07 3iru n VAL 255 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iru n ALA 256 N -1.66 1.47 -1.21 2.33 0.00 -1.26 -2.50 120.51 117.67 3iru n ALA 256 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.56 3iru n ALA 256 Cb 0.10 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.43 3iru n ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iru n ASP 257 N -2.17 3.25 0.15 0.00 8.00 -0.71 -4.72 116.55 120.35 3iru n ASP 257 Ca 0.01 -3.39 0.01 0.00 0.71 0.00 0.00 54.79 52.13 3iru n ASP 257 Cb 0.17 -0.60 0.23 0.00 -0.02 0.00 0.00 41.12 40.89 3iru n ASP 257 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3iru h LEU 258 N 1.39 0.00 -0.68 0.64 3.38 -1.67 -3.38 115.31 114.99 3iru h LEU 258 Ca 0.14 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3iru h LEU 258 Cb 1.63 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.25 3iru h LEU 258 CO 0.35 0.53 -0.06 -0.33 0.09 0.00 0.00 178.44 179.02 3iru h GLU 259 N 0.00 0.06 0.00 1.13 5.08 -1.86 -0.42 114.58 118.57 3iru h GLU 259 Ca -0.01 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3iru h GLU 259 Cb 1.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3iru h GLU 259 CO 0.07 0.04 -0.34 1.79 -1.00 0.00 0.00 179.01 179.57 3iru h THR 260 N 0.07 0.75 -0.39 1.13 1.35 -1.98 -1.94 112.91 111.90 3iru h THR 260 Ca 0.35 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.68 3iru h THR 260 Cb 0.58 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3iru h THR 260 CO -0.64 0.33 0.02 0.58 -0.25 0.00 0.00 175.52 175.57 3iru h VAL 261 N 0.00 1.25 0.29 6.82 2.07 -1.32 -1.28 116.25 124.08 3iru h VAL 261 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3iru h VAL 261 Cb 0.92 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3iru h VAL 261 CO 0.04 0.32 -0.18 0.40 0.02 0.00 0.00 177.57 178.18 3iru h ILE 262 N 0.51 0.63 -0.60 4.57 1.08 -0.89 0.72 117.51 123.52 3iru h ILE 262 Ca 0.11 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.70 3iru h ILE 262 Cb 0.43 0.63 -0.12 0.00 -3.07 0.00 0.00 36.82 34.70 3iru h ILE 262 CO 0.02 0.00 -0.18 0.74 -0.69 0.00 0.00 178.15 178.03 3iru h THR 263 N -0.45 0.35 -0.30 -0.27 2.02 -1.42 0.14 112.91 112.98 3iru h THR 263 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3iru h THR 263 Cb 0.37 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3iru h THR 263 CO 0.03 0.00 0.12 -0.78 0.37 0.00 0.00 175.52 175.26 3iru h ASP 264 N -0.04 0.42 -0.66 4.18 3.58 -0.70 -2.08 116.42 121.13 3iru h ASP 264 Ca 0.28 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3iru h ASP 264 Cb 0.47 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 3iru h ASP 264 CO -0.64 0.48 0.32 0.58 -2.88 0.00 0.00 179.24 177.10 3iru h VAL 265 N 0.34 1.22 -0.77 2.25 2.07 -0.46 -0.96 116.25 119.95 3iru h VAL 265 Ca 0.10 -0.62 0.14 0.00 0.82 0.00 0.00 66.70 67.14 3iru h VAL 265 Cb 0.19 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 3iru h VAL 265 CO -0.01 0.26 0.32 0.78 0.02 0.00 0.00 177.57 178.94 3iru h ASN 266 N 0.91 0.32 -0.21 0.57 2.35 -0.59 -1.02 115.58 117.91 3iru h ASN 266 Ca 0.23 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.93 3iru h ASN 266 Cb 0.11 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3iru h ASN 266 CO -0.03 0.13 -0.42 -0.09 -1.65 0.00 0.00 177.43 175.37 3iru h ARG 267 N 0.47 0.76 -0.37 0.81 2.43 -0.64 -1.72 114.38 116.13 3iru h ARG 267 Ca 0.42 -0.41 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 3iru h ARG 267 Cb 0.62 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3iru h ARG 267 CO -0.39 1.03 -0.33 0.00 -1.51 0.00 0.00 179.97 178.77 3iru h ARG 268 N 0.62 0.84 -0.26 0.20 3.08 -0.85 -2.83 114.38 115.17 3iru h ARG 268 Ca 0.05 -0.40 -0.15 0.00 0.07 0.00 0.00 59.98 59.55 3iru h ARG 268 Cb 0.97 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3iru h ARG 268 CO 0.09 1.04 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.55 3iru h LEU 269 N 0.70 0.82 -1.60 3.04 3.38 -1.10 0.18 115.31 120.73 3iru h LEU 269 Ca 0.07 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 57.69 3iru h LEU 269 Cb 0.88 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3iru h LEU 269 CO 0.08 1.18 0.53 0.00 0.09 0.00 0.00 178.44 180.32 3iru h ALA 270 N 0.66 2.20 -0.66 1.53 0.00 -1.27 0.24 119.26 121.95 3iru h ALA 270 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iru h ALA 270 Cb 1.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3iru h ALA 270 CO 0.10 -0.43 0.00 2.89 0.00 0.00 0.00 179.25 181.81 3iru n ARG 271 N -4.47 3.47 -1.21 0.00 1.85 -1.07 -4.96 116.66 110.26 3iru n ARG 271 Ca 0.16 -2.83 0.00 0.00 -1.00 0.00 0.00 57.85 54.18 3iru n ARG 271 Cb 0.61 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 3iru n ARG 271 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iru n GLY 272 N 1.24 0.47 3.81 2.89 0.00 0.07 -5.06 105.19 108.60 3iru n GLY 272 Ca 0.25 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3iru n GLY 272 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iru s GLU 273 N -2.45 4.26 0.15 1.61 2.02 0.60 -4.99 118.70 119.90 3iru s GLU 273 Ca 0.00 1.21 0.08 0.00 0.02 0.00 0.00 54.97 56.28 3iru s GLU 273 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3iru s GLU 273 CO 0.00 -0.01 -0.07 0.15 0.02 0.00 0.00 175.26 175.35 3iru s LYS 274 N -2.90 2.20 0.00 1.61 1.02 -1.26 -4.44 119.74 115.97 3iru s LYS 274 Ca 0.60 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3iru s LYS 274 Cb -0.13 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3iru s LYS 274 CO 0.17 0.47 0.35 -2.30 -0.92 0.00 0.00 175.35 173.12