#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 2.32 0.13 0.27 1.43 -1.26 -5.31 118.68 116.25 3iru s LEU 2 Ca 0.00 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 3iru s LEU 2 Cb 0.00 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 3iru s LEU 2 CO 0.00 -0.17 -0.04 -0.54 0.23 0.00 0.00 176.35 175.83 3iru s LYS 3 N -2.09 0.94 -0.03 1.70 1.02 -1.26 -5.16 119.74 114.86 3iru s LYS 3 Ca -0.01 -1.41 0.06 0.00 0.02 0.00 0.00 55.97 54.63 3iru s LYS 3 Cb -0.07 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.01 3iru s LYS 3 CO 0.01 -0.07 -0.22 0.00 -0.92 0.00 0.00 175.35 174.16 3iru s ALA 4 N -3.65 1.82 -0.34 5.17 0.00 -1.26 -5.10 121.76 118.40 3iru s ALA 4 Ca 0.17 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 3iru s ALA 4 Cb 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3iru s ALA 4 CO -0.01 0.41 0.34 -0.80 0.00 0.00 0.00 175.76 175.70 3iru s ASN 5 N -0.37 6.16 -0.22 0.00 0.02 -1.26 -5.08 114.94 114.19 3iru s ASN 5 Ca 0.05 -0.27 -0.12 0.00 -1.02 0.00 0.00 52.86 51.50 3iru s ASN 5 Cb -0.10 -2.19 -0.05 0.00 0.02 0.00 0.00 41.25 38.94 3iru s ASN 5 CO 0.00 -0.33 0.20 -0.69 0.02 0.00 0.00 177.10 176.31 3iru s VAL 6 N 1.97 5.34 0.17 1.60 1.01 -1.26 -5.07 120.40 124.16 3iru s VAL 6 Ca 0.11 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3iru s VAL 6 Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3iru s VAL 6 CO 0.11 0.36 -0.07 0.72 0.00 0.00 0.00 175.10 176.22 3iru s PHE 7 N 0.87 1.32 -0.04 5.22 -0.12 -1.26 -5.12 117.98 118.85 3iru s PHE 7 Ca 0.10 -0.81 -0.26 0.00 -0.05 0.00 0.00 56.93 55.91 3iru s PHE 7 Cb -0.13 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.52 3iru s PHE 7 CO 0.03 0.03 0.80 0.00 -0.05 0.00 0.00 175.22 176.04 3iru n ALA 9 N 3.82 2.16 -0.18 0.00 0.00 -1.26 -4.73 120.51 120.32 3iru n ALA 9 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3iru n ALA 9 Cb 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 0.37 -1.64 3.70 0.00 0.00 -1.26 -3.08 105.19 103.28 3iru n GLY 10 Ca 0.10 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.16 0.10 1.61 0.04 -1.26 -5.01 135.00 130.33 3iru s PRO 11 Ca 0.00 0.04 -0.35 0.00 0.04 0.00 0.00 61.00 60.73 3iru s PRO 11 Cb 0.00 -1.71 -0.15 0.00 0.04 0.00 0.00 34.50 32.68 3iru s PRO 11 CO 0.00 -3.02 1.49 0.28 0.04 0.00 0.00 177.00 175.79 3iru n VAL 12 N -4.29 0.04 0.04 -0.36 0.31 -1.26 -4.92 118.33 107.88 3iru n VAL 12 Ca 0.11 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.22 3iru n VAL 12 Cb 0.59 -1.22 -0.14 0.00 -0.91 0.00 0.00 33.84 32.16 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 5.52 0.29 -3.28 5.55 5.08 -1.21 -3.46 114.58 123.07 3iru h GLU 13 Ca -0.46 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.33 3iru h GLU 13 Cb 1.29 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 30.58 3iru h GLU 13 CO 0.84 1.24 -0.12 0.00 -1.00 0.00 0.00 179.01 179.97 3iru s ALA 14 N -2.46 -0.89 -0.07 3.43 0.00 -1.21 -1.36 121.76 119.19 3iru s ALA 14 Ca -0.16 0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3iru s ALA 14 Cb 0.03 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3iru s ALA 14 CO 0.81 -0.55 -0.13 -0.51 0.00 0.00 0.00 175.76 175.38 3iru s LEU 15 N -2.46 1.66 -0.21 0.00 1.02 0.04 -1.62 118.68 117.11 3iru s LEU 15 Ca -0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 3iru s LEU 15 Cb 0.01 -0.85 -0.00 0.00 0.02 0.00 0.00 46.19 45.37 3iru s LEU 15 CO -0.08 0.04 -0.09 -0.63 0.02 0.00 0.00 176.35 175.61 3iru s ILE 16 N 0.65 3.02 -0.05 -0.59 1.01 0.48 -1.33 121.20 124.40 3iru s ILE 16 Ca -0.15 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3iru s ILE 16 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 3iru s ILE 16 CO 0.04 0.46 -0.23 -0.76 0.00 0.00 0.00 174.94 174.44 3iru s LEU 17 N 1.42 2.03 1.07 2.97 1.02 -0.50 -0.10 118.68 126.59 3iru s LEU 17 Ca 0.05 -0.47 -0.13 0.00 0.02 0.00 0.00 54.13 53.61 3iru s LEU 17 Cb -0.14 -1.27 0.23 0.00 0.02 0.00 0.00 46.19 45.03 3iru s LEU 17 CO -0.06 0.23 1.07 -0.62 0.02 0.00 0.00 176.35 176.99 3iru s ASP 18 N -0.15 1.93 -0.01 2.29 2.15 -0.43 -2.10 116.67 120.34 3iru s ASP 18 Ca -0.03 1.26 -0.01 0.00 0.43 0.00 0.00 52.55 54.20 3iru s ASP 18 Cb -0.13 -1.97 -0.00 0.00 -0.30 0.00 0.00 42.92 40.51 3iru s ASP 18 CO 0.03 -3.58 -0.03 0.79 -0.17 0.00 0.00 175.17 172.22 3iru n TRP 19 N -4.48 0.00 -2.09 -5.34 7.02 -1.19 -3.44 117.44 107.92 3iru n TRP 19 Ca 0.04 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.10 3iru n TRP 19 Cb 0.56 -0.04 -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 -2.99 3.62 0.00 6.99 0.00 -1.26 -0.70 121.76 127.42 3iru s ALA 20 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3iru s ALA 20 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3iru s ALA 20 CO 0.03 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.06 3iru n GLY 21 N 3.89 0.83 1.33 0.00 0.00 0.07 -4.79 105.19 106.51 3iru n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.31 0.51 -0.06 2.61 -1.04 -0.94 -3.34 114.28 109.72 3iru n THR 22 Ca 0.00 0.17 -0.07 0.00 -2.04 0.00 0.00 64.05 62.11 3iru n THR 22 Cb 0.00 -1.03 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 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 -3.10 0.88 -4.53 12.58 -2.24 0.13 -4.52 114.28 113.48 3iru n THR 23 Ca 0.00 -0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 61.00 3iru n THR 23 Cb 0.00 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.31 1.43 -0.49 2.28 -4.36 -0.35 -0.37 121.20 117.02 3iru s ILE 24 Ca -0.08 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 3iru s ILE 24 Cb 0.04 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.96 3iru s ILE 24 CO 0.51 0.00 0.60 -0.67 0.24 0.00 0.00 174.94 175.62 3iru n ASP 25 N -0.86 -7.63 -4.68 4.36 2.03 -1.08 -0.75 116.55 107.95 3iru n ASP 25 Ca -0.04 0.34 -0.45 0.00 0.52 0.00 0.00 54.79 55.16 3iru n ASP 25 Cb 0.67 -5.16 -0.04 0.00 -0.72 0.00 0.00 41.12 35.86 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 -0.73 2.44 -0.09 -0.67 7.35 -1.26 -0.88 117.46 123.62 3iru n PHE 26 Ca 0.08 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3iru n PHE 26 Cb 0.46 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.59 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 4.24 1.28 3.67 7.13 0.00 0.14 -4.34 105.19 117.30 3iru n GLY 27 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.26 0.08 1.61 2.88 -0.06 -4.16 113.62 110.72 3iru n SER 28 Ca 0.00 -0.90 0.11 0.00 -1.33 0.00 0.00 58.87 56.75 3iru n SER 28 Cb 0.00 -3.83 -0.01 0.00 -0.75 0.00 0.00 64.21 59.61 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 -4.12 0.70 -0.17 2.46 4.77 -1.26 -4.33 117.00 115.04 3iru n LEU 29 Ca -0.20 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3iru n LEU 29 Cb 0.64 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3iru n LEU 29 CO 0.68 -0.13 1.03 0.00 -1.33 0.00 0.00 177.39 177.63 3iru h ALA 30 N 2.08 0.64 -0.01 -1.18 0.00 -1.90 0.38 119.26 119.27 3iru h ALA 30 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3iru h ALA 30 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3iru h ALA 30 CO 0.00 0.15 -0.24 -1.35 0.00 0.00 0.00 179.25 177.81 3iru h PRO 31 N 0.67 0.01 0.71 0.00 0.11 -1.96 -2.26 132.00 129.27 3iru h PRO 31 Ca 0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3iru h PRO 31 Cb 0.02 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.14 3iru h PRO 31 CO -0.03 0.25 -0.34 0.28 -0.21 0.00 0.00 178.00 177.95 3iru h VAL 32 N 0.01 0.17 -0.89 3.15 2.07 -1.17 0.23 116.25 119.82 3iru h VAL 32 Ca 0.00 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3iru h VAL 32 Cb 0.42 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 3iru h VAL 32 CO 0.03 0.02 0.55 1.88 0.02 0.00 0.00 177.57 180.07 3iru h TYR 33 N -1.14 1.02 -0.56 1.57 0.05 -1.28 -1.36 116.97 115.28 3iru h TYR 33 Ca -0.10 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3iru h TYR 33 Cb 0.76 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 3iru h TYR 33 CO -0.00 0.49 0.33 0.00 -1.05 0.00 0.00 178.16 177.93 3iru h ALA 34 N 1.43 0.71 0.00 3.88 0.00 -1.28 -1.87 119.26 122.13 3iru h ALA 34 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3iru h ALA 34 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iru h ALA 34 CO -0.19 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.45 3iru n PHE 35 N -4.64 0.00 0.00 0.00 3.72 0.81 -1.29 117.46 116.07 3iru n PHE 35 Ca 0.03 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3iru n PHE 35 Cb 0.06 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3iru n PHE 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3iru n GLU 37 N 0.81 0.00 -0.10 -1.08 2.13 -0.71 -1.64 120.64 120.05 3iru n GLU 37 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3iru n GLU 37 Cb 0.17 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.89 3iru n GLU 37 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3iru h LEU 38 N 0.00 -0.60 -0.63 4.31 5.85 -1.46 -2.16 115.31 120.63 3iru h LEU 38 Ca 0.00 0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3iru h LEU 38 Cb 0.00 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3iru h LEU 38 CO 0.00 -0.21 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.00 3iru h PHE 39 N -0.12 0.00 -0.63 1.25 0.04 -1.58 -3.14 116.94 112.76 3iru h PHE 39 Ca 0.18 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.99 3iru h PHE 39 Cb 0.39 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3iru h PHE 39 CO -0.40 0.63 0.38 -0.22 -0.60 0.00 0.00 178.31 178.10 3iru h LYS 40 N 0.00 0.71 0.00 1.51 3.64 -1.10 0.23 116.57 121.56 3iru h LYS 40 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3iru h LYS 40 Cb 1.19 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3iru h LYS 40 CO 0.08 0.47 0.00 1.04 -2.27 0.00 0.00 179.45 178.77 3iru n GLN 41 N -4.74 0.08 -0.20 1.90 6.02 -0.85 -0.39 117.38 119.20 3iru n GLN 41 Ca 0.07 0.53 0.08 0.00 -0.01 0.00 0.00 57.00 57.66 3iru n GLN 41 Cb 0.11 -1.75 0.19 0.00 1.02 0.00 0.00 30.24 29.81 3iru n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3iru n GLU 42 N -1.92 2.47 -1.01 -1.09 -0.58 -0.60 -4.96 120.64 112.95 3iru n GLU 42 Ca -0.00 -2.11 -0.00 0.00 -0.42 0.00 0.00 57.16 54.63 3iru n GLU 42 Cb 0.06 -1.37 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.94 0.42 3.34 0.62 0.00 0.47 -5.02 105.19 105.96 3iru n GLY 43 Ca 0.15 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.01 2.79 -0.55 -0.61 1.01 -0.03 -4.99 121.20 116.80 3iru s ILE 44 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 3iru s ILE 44 Cb 0.00 -2.14 0.12 0.00 0.01 0.00 0.00 42.46 40.45 3iru s ILE 44 CO 0.00 0.54 0.55 -0.70 0.00 0.00 0.00 174.94 175.33 3iru s GLU 45 N 0.28 3.00 0.36 2.79 2.12 -1.26 -2.42 118.70 123.57 3iru s GLU 45 Ca -0.12 -1.62 -0.18 0.00 0.36 0.00 0.00 54.97 53.41 3iru s GLU 45 Cb -0.16 -4.29 -0.10 0.00 0.26 0.00 0.00 34.13 29.84 3iru s GLU 45 CO 0.06 -1.38 0.83 0.14 -0.54 0.00 0.00 175.26 174.37 3iru s VAL 46 N 1.86 4.52 0.47 3.70 -7.23 -1.26 -5.10 120.40 117.37 3iru s VAL 46 Ca 0.05 1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 61.45 3iru s VAL 46 Cb -0.29 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 3iru s VAL 46 CO 0.04 -0.19 0.72 0.42 -0.31 0.00 0.00 175.10 175.78 3iru s THR 47 N -2.00 4.24 0.24 5.32 -4.23 -1.26 -4.99 115.64 112.96 3iru s THR 47 Ca 0.56 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 3iru s THR 47 Cb -0.11 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.33 3iru s THR 47 CO 0.16 -0.49 1.78 -0.61 -0.54 0.00 0.00 174.62 174.92 3iru h GLN 48 N 0.29 0.60 -0.63 3.99 4.15 -1.98 -2.13 115.11 119.40 3iru h GLN 48 Ca -0.47 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3iru h GLN 48 Cb 1.24 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 3iru h GLN 48 CO 0.59 0.40 0.35 0.00 -1.93 0.00 0.00 178.83 178.24 3iru h ALA 49 N 1.46 0.80 -0.83 3.38 0.00 -1.98 -0.32 119.26 121.77 3iru h ALA 49 Ca 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iru h ALA 49 Cb 0.44 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3iru h ALA 49 CO -0.29 0.31 0.50 0.93 0.00 0.00 0.00 179.25 180.70 3iru h GLU 50 N 0.85 1.13 -0.05 0.00 5.08 -1.91 -2.66 114.58 117.03 3iru h GLU 50 Ca 0.22 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3iru h GLU 50 Cb 0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3iru h GLU 50 CO -0.04 0.80 -0.42 0.00 -1.00 0.00 0.00 179.01 178.35 3iru h ALA 51 N 1.27 1.21 0.00 3.43 0.00 -0.68 -3.08 119.26 121.41 3iru h ALA 51 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iru h ALA 51 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iru h ALA 51 CO -0.06 0.56 -0.59 0.00 0.00 0.00 0.00 179.25 179.17 3iru h ARG 52 N 0.08 0.00 -0.43 0.00 3.08 -0.86 -3.39 114.38 112.86 3iru h ARG 52 Ca 0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3iru h ARG 52 Cb 0.79 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3iru h ARG 52 CO 0.06 0.00 0.22 1.49 -1.07 0.00 0.00 179.97 180.67 3iru h GLU 53 N 0.00 0.43 -6.00 0.04 4.81 -1.38 -3.47 114.58 109.00 3iru h GLU 53 Ca 0.00 -0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.59 3iru h GLU 53 Cb 0.91 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 3iru h GLU 53 CO 0.00 0.28 -0.29 -1.25 -0.73 0.00 0.00 179.01 177.02 3iru s PRO 54 N -6.15 3.72 0.00 0.92 0.04 -1.26 -5.08 135.00 127.19 3iru s PRO 54 Ca -0.13 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3iru s PRO 54 Cb 0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3iru s PRO 54 CO 0.72 0.62 0.00 0.41 0.04 0.00 0.00 177.00 178.80 3iru n GLY 56 N 1.22 0.00 3.81 0.56 0.00 -1.26 -4.86 105.19 104.65 3iru n GLY 56 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 3.45 0.63 2.61 -4.23 -1.26 -4.50 115.64 112.34 3iru s THR 57 Ca 0.00 0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 3iru s THR 57 Cb 0.00 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3iru s THR 57 CO 0.00 -0.61 1.16 -1.83 -0.54 0.00 0.00 174.62 172.80 3iru s GLU 58 N -5.10 2.82 0.31 3.99 4.04 -1.26 -4.63 118.70 118.87 3iru s GLU 58 Ca 0.60 1.65 0.07 0.00 0.04 0.00 0.00 54.97 57.32 3iru s GLU 58 Cb -0.14 -1.93 0.52 0.00 0.02 0.00 0.00 34.13 32.60 3iru s GLU 58 CO 0.55 -1.28 1.75 0.87 -1.84 0.00 0.00 175.26 175.31 3iru h LYS 59 N 0.46 0.27 -0.52 -4.83 1.79 -1.95 -0.78 116.57 111.00 3iru h LYS 59 Ca -0.49 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 57.77 3iru h LYS 59 Cb 1.28 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 3iru h LYS 59 CO 0.54 0.57 -0.11 0.66 -1.08 0.00 0.00 179.45 180.03 3iru h SER 60 N 0.23 0.98 -0.10 0.86 4.64 -1.92 -0.86 113.55 117.38 3iru h SER 60 Ca 0.03 -0.32 0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3iru h SER 60 Cb 0.70 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3iru h SER 60 CO 0.05 1.09 -0.10 -0.08 -0.87 0.00 0.00 176.83 176.92 3iru h GLU 61 N 0.87 -0.13 -0.76 4.77 4.57 -1.76 -0.27 114.58 121.87 3iru h GLU 61 Ca 0.14 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.50 3iru h GLU 61 Cb 0.66 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.16 3iru h GLU 61 CO 0.05 -0.09 0.17 1.25 -1.18 0.00 0.00 179.01 179.21 3iru h HIS 62 N -0.13 0.26 -0.48 0.92 2.76 -0.97 0.14 115.15 117.63 3iru h HIS 62 Ca 0.07 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 3iru h HIS 62 Cb 0.24 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3iru h HIS 62 CO -0.21 -0.11 0.15 0.82 -1.30 0.00 0.00 177.93 177.27 3iru h ILE 63 N 0.25 1.23 -0.76 6.26 1.08 -0.69 -3.01 117.51 121.86 3iru h ILE 63 Ca 0.43 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 3iru h ILE 63 Cb 0.76 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3iru h ILE 63 CO -0.54 0.28 0.40 -0.09 -0.69 0.00 0.00 178.15 177.51 3iru h ARG 64 N 0.65 1.07 -1.37 2.37 2.43 0.36 -0.89 114.38 119.00 3iru h ARG 64 Ca 0.16 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iru h ARG 64 Cb 0.28 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3iru h ARG 64 CO -0.00 0.81 0.00 0.54 -1.51 0.00 0.00 179.97 179.80 3iru n ARG 65 N -4.43 0.45 0.00 0.20 1.74 0.34 -1.96 116.66 113.00 3iru n ARG 65 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3iru n ARG 65 Cb 0.10 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.69 0.00 0.01 0.55 4.77 -0.34 -2.47 117.00 120.21 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 0.20 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.61 3iru n LEU 67 CO 0.00 0.00 0.55 0.61 -1.33 0.00 0.00 177.39 177.22 3iru n GLY 68 N 0.00 -1.33 3.74 -0.72 0.00 -0.83 -3.95 105.19 102.10 3iru n GLY 68 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.16 6.72 0.32 1.61 3.84 -1.03 -4.91 114.94 118.33 3iru s ASN 69 Ca 0.11 2.57 0.01 0.00 0.21 0.00 0.00 52.86 55.76 3iru s ASN 69 Cb 0.17 -2.61 0.54 0.00 -0.55 0.00 0.00 41.25 38.80 3iru s ASN 69 CO 0.67 -0.67 1.93 0.77 -2.79 0.00 0.00 177.10 177.01 3iru h SER 70 N 5.43 0.72 0.18 -4.21 4.64 -1.94 0.43 113.55 118.80 3iru h SER 70 Ca -0.45 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 3iru h SER 70 Cb 1.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3iru h SER 70 CO 0.80 0.62 -0.09 -0.09 -0.87 0.00 0.00 176.83 177.20 3iru h ARG 71 N 0.81 -0.23 -0.61 4.77 2.43 -1.96 -1.14 114.38 118.45 3iru h ARG 71 Ca 0.20 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 3iru h ARG 71 Cb 0.09 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 3iru h ARG 71 CO -0.03 0.17 0.26 0.82 -1.51 0.00 0.00 179.97 179.68 3iru h ILE 72 N -0.73 0.82 -0.69 1.20 2.04 -1.90 -0.09 117.51 118.15 3iru h ILE 72 Ca -0.02 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3iru h ILE 72 Cb 0.51 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3iru h ILE 72 CO 0.04 0.08 0.45 0.00 0.00 0.00 0.00 178.15 178.73 3iru h ALA 73 N 1.39 0.89 -0.91 1.87 0.00 -0.91 0.27 119.26 121.86 3iru h ALA 73 Ca 0.30 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3iru h ALA 73 Cb 0.33 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3iru h ALA 73 CO -0.27 0.27 0.59 -0.91 0.00 0.00 0.00 179.25 178.92 3iru h ASN 74 N 0.91 0.97 -0.35 0.00 2.35 -0.75 -2.07 115.58 116.64 3iru h ASN 74 Ca 0.26 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 3iru h ASN 74 Cb -0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3iru h ASN 74 CO -0.07 0.66 -0.13 0.00 -1.65 0.00 0.00 177.43 176.24 3iru h ALA 75 N 1.38 0.95 -0.19 -0.83 0.00 -0.31 -1.46 119.26 118.80 3iru h ALA 75 Ca 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iru h ALA 75 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3iru h ALA 75 CO -0.13 0.61 0.07 2.35 0.00 0.00 0.00 179.25 182.15 3iru h TRP 76 N 0.72 0.29 -0.30 0.00 2.91 -0.74 -2.99 115.95 115.85 3iru h TRP 76 Ca 0.12 -0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 3iru h TRP 76 Cb 0.62 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 3iru h TRP 76 CO 0.03 0.36 -0.11 1.25 -1.03 0.00 0.00 178.44 178.95 3iru h LEU 77 N 0.14 0.62 -0.43 0.65 5.85 -1.31 0.20 115.31 121.02 3iru h LEU 77 Ca 0.06 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3iru h LEU 77 Cb 0.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3iru h LEU 77 CO -0.00 0.87 0.00 -1.54 -0.34 0.00 0.00 178.44 177.42 3iru n SER 78 N -4.44 0.40 0.00 1.25 3.41 -0.56 -1.66 113.62 112.02 3iru n SER 78 Ca -0.03 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3iru n SER 78 Cb 0.35 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3iru n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iru n ILE 79 N -0.26 0.00 0.20 -1.33 3.06 -1.13 -4.87 119.36 115.02 3iru n ILE 79 Ca 0.00 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.31 3iru n ILE 79 Cb 0.10 -0.17 0.10 0.00 0.54 0.00 0.00 39.64 40.21 3iru n ILE 79 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3iru n LYS 80 N -0.89 1.64 0.00 9.51 5.02 0.68 -4.99 118.16 129.13 3iru n LYS 80 Ca 0.00 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 3iru n LYS 80 Cb 0.09 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3iru n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iru n GLY 81 N 0.65 2.10 3.38 0.72 0.00 -0.66 -4.91 105.19 106.46 3iru n GLY 81 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.19 0.77 1.61 -2.07 -1.25 -5.01 119.66 114.89 3iru s GLN 82 Ca 0.00 -0.63 -0.12 0.00 -1.82 0.00 0.00 55.36 52.78 3iru s GLN 82 Cb 0.00 0.52 0.06 0.00 -1.09 0.00 0.00 33.01 32.50 3iru s GLN 82 CO 0.00 -0.49 1.13 0.00 -1.32 0.00 0.00 175.29 174.61 3iru s ALA 83 N -3.79 2.12 0.59 2.60 0.00 -1.26 -4.20 121.76 117.82 3iru s ALA 83 Ca 0.03 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 3iru s ALA 83 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3iru s ALA 83 CO -0.11 -1.87 1.13 -1.54 0.00 0.00 0.00 175.76 173.36 3iru s SER 84 N -2.79 5.41 0.41 0.00 1.04 -1.26 -5.02 113.70 111.49 3iru s SER 84 Ca 0.66 2.13 0.08 0.00 0.48 0.00 0.00 55.95 59.30 3iru s SER 84 Cb -0.21 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 3iru s SER 84 CO 0.51 -1.43 0.27 0.20 0.98 0.00 0.00 173.24 173.77 3iru s ASN 85 N -2.07 4.72 0.46 7.02 0.02 -1.26 -5.00 114.94 118.83 3iru s ASN 85 Ca 0.71 -0.91 0.19 0.00 -1.02 0.00 0.00 52.86 51.83 3iru s ASN 85 Cb -0.23 -0.54 1.11 0.00 0.02 0.00 0.00 41.25 41.61 3iru s ASN 85 CO 0.33 -0.58 1.99 1.05 0.02 0.00 0.00 177.10 179.91 3iru h GLU 86 N 1.26 0.00 -0.67 -0.60 4.11 -2.00 -2.79 114.58 113.89 3iru h GLU 86 Ca -0.42 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.92 3iru h GLU 86 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3iru h GLU 86 CO 0.64 0.20 0.10 1.49 0.07 0.00 0.00 179.01 181.50 3iru h GLU 87 N 0.00 1.12 -0.44 1.06 4.81 -1.99 -1.70 114.58 117.44 3iru h GLU 87 Ca -0.00 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.79 3iru h GLU 87 Cb 0.40 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3iru h GLU 87 CO 0.03 1.03 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.65 3iru h ASP 88 N 1.05 0.97 -0.36 1.04 5.19 -1.90 -1.21 116.42 121.19 3iru h ASP 88 Ca 0.20 -0.38 0.03 0.00 -0.62 0.00 0.00 57.03 56.27 3iru h ASP 88 Cb 0.46 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3iru h ASP 88 CO 0.02 1.16 0.16 0.40 -3.12 0.00 0.00 179.24 177.86 3iru h ILE 89 N 0.80 0.95 0.16 0.35 2.04 -1.34 0.13 117.51 120.61 3iru h ILE 89 Ca 0.10 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3iru h ILE 89 Cb 0.82 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3iru h ILE 89 CO 0.07 0.06 -0.30 0.11 0.00 0.00 0.00 178.15 178.09 3iru h LYS 90 N 0.34 -0.53 -0.10 2.37 6.56 -1.09 0.25 116.57 124.37 3iru h LYS 90 Ca 0.16 0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.83 3iru h LYS 90 Cb 0.09 0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 31.82 3iru h LYS 90 CO -0.13 -0.35 -0.22 -0.09 -2.06 0.00 0.00 179.45 176.60 3iru h ARG 91 N -0.55 -0.29 -0.76 3.15 2.43 -1.00 -1.16 114.38 116.21 3iru h ARG 91 Ca 0.02 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3iru h ARG 91 Cb 0.56 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3iru h ARG 91 CO -0.15 -0.19 0.35 -0.07 -1.51 0.00 0.00 179.97 178.40 3iru h LEU 92 N -0.30 1.00 -0.34 3.80 3.38 -0.63 -1.94 115.31 120.28 3iru h LEU 92 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3iru h LEU 92 Cb 0.43 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3iru h LEU 92 CO -0.27 0.86 0.15 0.22 0.09 0.00 0.00 178.44 179.49 3iru h TYR 93 N 1.09 0.28 -0.59 1.13 3.20 -0.00 -1.13 116.97 120.95 3iru h TYR 93 Ca 0.26 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 3iru h TYR 93 Cb 0.14 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3iru h TYR 93 CO 0.01 0.14 0.15 -0.44 -1.64 0.00 0.00 178.16 176.38 3iru h ASP 94 N 0.32 0.85 0.13 -2.11 3.32 -0.55 -1.41 116.42 116.97 3iru h ASP 94 Ca 0.15 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3iru h ASP 94 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3iru h ASP 94 CO -0.12 0.82 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.97 3iru h LEU 95 N 0.87 0.09 -0.52 1.55 3.38 -1.13 -3.35 115.31 116.20 3iru h LEU 95 Ca 0.19 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3iru h LEU 95 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iru h LEU 95 CO -0.00 0.28 -0.19 0.15 0.09 0.00 0.00 178.44 178.77 3iru h PHE 96 N 0.09 1.14 0.01 1.13 3.57 -0.05 -3.28 116.94 119.56 3iru h PHE 96 Ca 0.02 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.27 3iru h PHE 96 Cb 0.37 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3iru h PHE 96 CO 0.00 1.09 -0.15 0.00 -2.23 0.00 0.00 178.31 177.03 3iru h ALA 97 N 0.90 -0.18 -0.99 2.41 0.00 -1.69 0.24 119.26 119.95 3iru h ALA 97 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3iru h ALA 97 Cb 0.76 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3iru h ALA 97 CO 0.06 -0.64 0.64 -1.35 0.00 0.00 0.00 179.25 177.96 3iru h PRO 98 N -0.25 1.17 0.04 0.00 0.11 -1.82 -0.54 132.00 130.71 3iru h PRO 98 Ca 0.05 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3iru h PRO 98 Cb 0.31 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 3iru h PRO 98 CO -0.13 0.77 -0.15 0.82 -0.21 0.00 0.00 178.00 179.10 3iru h ILE 99 N 1.20 0.64 -0.56 4.15 2.04 -1.36 -2.94 117.51 120.69 3iru h ILE 99 Ca 0.41 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.22 3iru h ILE 99 Cb 0.08 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3iru h ILE 99 CO -0.15 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.55 3iru h GLN 100 N -0.27 0.84 -0.80 2.37 5.75 -0.69 -3.16 115.11 119.15 3iru h GLN 100 Ca 0.04 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3iru h GLN 100 Cb 0.31 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 3iru h GLN 100 CO -0.12 0.74 0.51 1.15 -2.65 0.00 0.00 178.83 178.47 3iru h THR 101 N 0.82 1.13 0.11 2.39 2.02 -0.92 0.27 112.91 118.72 3iru h THR 101 Ca 0.18 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3iru h THR 101 Cb 0.26 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3iru h THR 101 CO -0.01 0.18 -0.15 -0.09 0.37 0.00 0.00 175.52 175.83 3iru h ARG 102 N 1.00 -0.30 -0.30 6.66 2.43 -1.52 -1.43 114.38 120.93 3iru h ARG 102 Ca 0.32 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3iru h ARG 102 Cb 0.01 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3iru h ARG 102 CO -0.11 -0.20 0.14 0.82 -1.51 0.00 0.00 179.97 179.11 3iru h ILE 103 N -0.31 1.16 -0.88 1.20 1.08 -1.50 -0.50 117.51 117.76 3iru h ILE 103 Ca 0.02 -0.45 0.20 0.00 -0.39 0.00 0.00 64.86 64.23 3iru h ILE 103 Cb 0.31 0.91 -0.11 0.00 -3.07 0.00 0.00 36.82 34.86 3iru h ILE 103 CO -0.07 0.16 0.40 0.58 -0.69 0.00 0.00 178.15 178.54 3iru h VAL 104 N 0.34 0.56 -0.31 1.67 2.07 -0.93 -0.98 116.25 118.66 3iru h VAL 104 Ca 0.10 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 3iru h VAL 104 Cb 0.13 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3iru h VAL 104 CO -0.01 0.09 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 3iru h ALA 105 N 1.66 0.81 0.00 1.67 0.00 -0.31 -2.69 119.26 120.40 3iru h ALA 105 Ca 0.53 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3iru h ALA 105 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3iru h ALA 105 CO -0.47 0.64 -0.21 1.96 0.00 0.00 0.00 179.25 181.17 3iru h GLN 106 N 0.59 0.00 -1.68 0.00 4.20 0.14 -3.33 115.11 115.03 3iru h GLN 106 Ca 0.06 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.18 3iru h GLN 106 Cb 0.86 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.22 3iru h GLN 106 CO 0.07 0.21 -0.72 0.54 -0.67 0.00 0.00 178.83 178.27 3iru n ARG 107 N -4.16 3.37 -0.34 1.46 1.74 -0.63 -4.82 116.66 113.28 3iru n ARG 107 Ca -0.02 -4.57 0.08 0.00 -0.77 0.00 0.00 57.85 52.57 3iru n ARG 107 Cb 0.28 -2.24 0.24 0.00 -1.02 0.00 0.00 32.46 29.72 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 -0.43 3.63 -4.77 0.55 3.41 -1.22 -3.41 113.62 111.38 3iru n SER 108 Ca 0.37 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 3iru n SER 108 Cb 0.60 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.38 4.25 0.62 4.33 -1.52 -1.26 -4.51 119.66 120.18 3iru s GLN 109 Ca 0.37 2.37 -0.19 0.00 -1.95 0.00 0.00 55.36 55.96 3iru s GLN 109 Cb 0.22 -3.03 -0.02 0.00 -0.22 0.00 0.00 33.01 29.96 3iru s GLN 109 CO 0.21 -0.34 1.32 1.28 -0.25 0.00 0.00 175.29 177.50 3iru n LEU 110 N 0.70 5.93 -4.71 2.90 4.77 -1.26 -2.62 117.00 122.71 3iru n LEU 110 Ca 0.01 0.87 -0.43 0.00 -0.03 0.00 0.00 56.01 56.43 3iru n LEU 110 Cb 0.41 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 3iru n LEU 110 CO 0.61 -0.87 1.33 -0.38 -1.33 0.00 0.00 177.39 176.75 3iru n ILE 111 N -1.67 0.02 -1.69 -0.08 2.08 0.50 -4.83 119.36 113.69 3iru n ILE 111 Ca 0.14 -0.00 -0.44 0.00 0.56 0.00 0.00 62.75 63.01 3iru n ILE 111 Cb 0.47 -1.89 -0.02 0.00 -0.75 0.00 0.00 39.64 37.46 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 2.14 0.00 0.38 -0.02 -1.26 -1.88 135.00 138.17 3iru n PRO 112 Ca 0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3iru n PRO 112 Cb 0.33 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 1.69 2.87 0.35 -1.23 0.00 -1.26 -4.50 105.19 103.11 3iru n GLY 113 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 0.79 0.04 1.61 -0.00 -1.70 -2.83 115.95 113.86 3iru h TRP 114 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 3iru h TRP 114 Cb 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 28.89 3iru h TRP 114 CO 0.00 0.45 -0.05 -0.22 -0.00 0.00 0.00 178.44 178.62 3iru h LYS 115 N 0.81 -0.11 -0.63 2.65 1.63 -1.91 0.18 116.57 119.19 3iru h LYS 115 Ca 0.28 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 3iru h LYS 115 Cb 0.11 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3iru h LYS 115 CO -0.08 -0.07 0.15 0.93 -3.45 0.00 0.00 179.45 176.92 3iru h GLU 116 N -0.11 1.01 -0.24 1.90 5.08 -1.95 -0.74 114.58 119.53 3iru h GLU 116 Ca 0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3iru h GLU 116 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3iru h GLU 116 CO -0.03 0.92 0.14 0.28 -1.00 0.00 0.00 179.01 179.32 3iru h VAL 117 N 0.93 1.10 -0.42 3.13 2.07 -1.25 -1.50 116.25 120.31 3iru h VAL 117 Ca 0.20 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.55 3iru h VAL 117 Cb 0.36 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 3iru h VAL 117 CO 0.00 0.10 -0.14 0.15 0.02 0.00 0.00 177.57 177.70 3iru h PHE 118 N 0.29 -0.33 -0.43 1.57 3.57 -0.47 -1.41 116.94 119.73 3iru h PHE 118 Ca 0.08 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3iru h PHE 118 Cb 0.03 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3iru h PHE 118 CO -0.04 -0.22 0.22 -0.44 -2.23 0.00 0.00 178.31 175.60 3iru h ASP 119 N -0.05 0.52 -0.04 0.41 3.32 -0.80 -1.93 116.42 117.85 3iru h ASP 119 Ca 0.20 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.03 3iru h ASP 119 Cb 0.36 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3iru h ASP 119 CO -0.46 0.43 -0.63 0.11 -1.72 0.00 0.00 179.24 176.97 3iru h LYS 120 N 0.60 0.66 -0.44 3.56 1.57 -0.36 -1.94 116.57 120.22 3iru h LYS 120 Ca 0.15 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3iru h LYS 120 Cb 0.04 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3iru h LYS 120 CO -0.02 1.08 0.23 -0.07 -0.57 0.00 0.00 179.45 180.10 3iru h LEU 121 N 0.48 0.34 -0.38 2.94 3.38 -0.91 -2.25 115.31 118.91 3iru h LEU 121 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iru h LEU 121 Cb 1.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3iru h LEU 121 CO 0.12 0.24 0.03 0.40 0.09 0.00 0.00 178.44 179.33 3iru h ILE 122 N 0.46 1.25 0.00 1.22 1.08 -1.24 -1.14 117.51 119.13 3iru h ILE 122 Ca 0.18 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3iru h ILE 122 Cb 0.07 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3iru h ILE 122 CO -0.12 0.31 0.00 0.00 -0.69 0.00 0.00 178.15 177.65 3iru n ALA 123 N -2.38 1.68 0.88 1.87 0.00 -0.74 -0.88 120.51 120.93 3iru n ALA 123 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3iru n ALA 123 Cb 0.26 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.54 3iru n ALA 123 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3iru n GLN 124 N -1.47 1.81 -1.67 0.00 7.27 -0.86 -4.97 117.38 117.50 3iru n GLN 124 Ca 0.04 -1.58 -0.02 0.00 0.07 0.00 0.00 57.00 55.52 3iru n GLN 124 Cb 0.16 -1.40 -0.00 0.00 2.41 0.00 0.00 30.24 31.41 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 1.21 0.38 3.80 1.69 0.00 -0.06 -5.04 105.19 107.16 3iru n GLY 125 Ca 0.11 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.07 5.17 0.30 -0.61 1.01 -0.47 -4.98 121.20 119.55 3iru s ILE 126 Ca 0.00 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 3iru s ILE 126 Cb 0.00 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3iru s ILE 126 CO 0.00 0.50 0.74 -0.54 0.00 0.00 0.00 174.94 175.64 3iru s LYS 127 N -0.43 4.07 -0.11 2.79 1.02 -0.47 -4.21 119.74 122.40 3iru s LYS 127 Ca 0.21 0.73 -0.02 0.00 0.02 0.00 0.00 55.97 56.92 3iru s LYS 127 Cb -0.15 -2.54 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3iru s LYS 127 CO 0.10 0.21 0.01 0.08 -0.92 0.00 0.00 175.35 174.83 3iru s VAL 128 N -1.87 0.42 0.30 3.17 1.01 -1.26 -0.78 120.40 121.38 3iru s VAL 128 Ca 0.51 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.50 3iru s VAL 128 Cb -0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 3iru s VAL 128 CO 0.18 0.11 -0.13 -0.83 0.00 0.00 0.00 175.10 174.43 3iru s GLY 129 N 1.94 1.96 0.06 4.51 0.00 -0.44 -0.64 107.32 114.72 3iru s GLY 129 Ca 0.03 -1.95 0.09 0.00 0.00 0.00 0.00 44.72 42.90 3iru s GLY 129 CO -0.06 -1.96 -0.26 -0.32 0.00 0.00 0.00 173.10 170.50 3iru s GLY 130 N -3.52 1.40 0.34 0.20 0.00 0.11 -1.41 107.32 104.43 3iru s GLY 130 Ca 0.30 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3iru s GLY 130 CO 0.14 -1.17 0.17 0.54 0.00 0.00 0.00 173.10 172.78 3iru s ASN 131 N -1.34 1.91 -0.24 1.64 2.20 -0.89 -0.79 114.94 117.43 3iru s ASN 131 Ca 0.12 -1.63 -0.31 0.00 -0.94 0.00 0.00 52.86 50.10 3iru s ASN 131 Cb -0.10 0.44 0.16 0.00 -2.00 0.00 0.00 41.25 39.76 3iru s ASN 131 CO 0.03 -0.93 1.25 0.28 -2.94 0.00 0.00 177.10 174.79 3iru s THR 132 N -3.47 0.00 -0.99 0.54 -1.32 -1.19 -3.19 115.64 106.03 3iru s THR 132 Ca 0.33 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.08 3iru s THR 132 Cb 0.04 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.25 3iru s THR 132 CO 0.19 0.00 1.86 0.61 -2.21 0.00 0.00 174.62 175.07 3iru n GLY 133 N 0.40 -1.44 3.72 6.08 0.00 -1.26 -2.91 105.19 109.77 3iru n GLY 133 Ca -0.02 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3iru n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iru n TYR 134 N -1.53 1.88 -1.83 1.61 4.01 -1.26 -3.41 117.16 116.63 3iru n TYR 134 Ca 0.06 0.42 -0.29 0.00 -0.16 0.00 0.00 57.90 57.93 3iru n TYR 134 Cb 0.32 -2.27 0.08 0.00 -0.31 0.00 0.00 39.34 37.16 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 -1.32 1.60 0.27 2.72 0.00 -1.26 -2.21 107.32 107.13 3iru s GLY 135 Ca 0.81 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.07 3iru s GLY 135 CO 0.42 -0.05 1.67 -0.56 0.00 0.00 0.00 173.10 174.59 3iru h PRO 136 N -0.96 0.39 -4.77 2.90 0.13 -1.96 -3.43 132.00 124.30 3iru h PRO 136 Ca -0.46 -0.18 -0.40 0.00 -0.87 0.00 0.00 66.00 64.09 3iru h PRO 136 Cb 1.30 -0.01 0.10 0.00 0.13 0.00 0.00 31.00 32.52 3iru h PRO 136 CO 0.64 0.71 1.19 0.41 -0.23 0.00 0.00 178.00 180.72 3iru n GLY 137 N -0.18 0.70 0.00 1.56 0.00 -1.26 -4.86 105.19 101.15 3iru n GLY 137 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 7.55 0.00 0.20 4.61 0.00 -1.26 -4.93 120.51 126.68 3iru n ALA 140 Ca 0.32 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.80 3iru n ALA 140 Cb 0.31 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.03 0.00 0.11 -1.91 -2.55 132.00 127.62 3iru h PRO 141 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3iru h PRO 141 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3iru h PRO 141 CO 0.00 0.29 -0.75 0.00 -0.21 0.00 0.00 178.00 177.34 3iru h ALA 142 N 1.71 0.68 -0.34 -0.75 0.00 -1.94 -2.01 119.26 116.60 3iru h ALA 142 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3iru h ALA 142 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3iru h ALA 142 CO 0.04 0.83 0.22 -0.07 0.00 0.00 0.00 179.25 180.27 3iru h LEU 143 N 0.14 0.38 0.58 0.00 3.38 -1.88 0.15 115.31 118.07 3iru h LEU 143 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3iru h LEU 143 Cb 1.31 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3iru h LEU 143 CO 0.11 0.28 -0.41 0.40 0.09 0.00 0.00 178.44 178.91 3iru h ILE 144 N 0.45 0.17 -0.98 1.22 1.08 -1.37 -1.44 117.51 116.64 3iru h ILE 144 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3iru h ILE 144 Cb -0.05 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 33.82 3iru h ILE 144 CO -0.03 0.00 0.64 0.00 -0.69 0.00 0.00 178.15 178.07 3iru h ALA 145 N -0.68 1.27 -0.75 1.87 0.00 -1.28 -1.79 119.26 117.90 3iru h ALA 145 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3iru h ALA 145 Cb 0.79 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3iru h ALA 145 CO 0.04 0.66 0.36 0.00 0.00 0.00 0.00 179.25 180.31 3iru h ALA 146 N 1.36 1.23 -0.45 0.00 0.00 -0.61 -2.11 119.26 118.68 3iru h ALA 146 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3iru h ALA 146 Cb -0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3iru h ALA 146 CO -0.07 0.59 0.18 0.87 0.00 0.00 0.00 179.25 180.82 3iru h LYS 147 N 1.06 0.68 0.00 0.00 1.79 -0.46 0.01 116.57 119.66 3iru h LYS 147 Ca 0.26 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 3iru h LYS 147 Cb 0.10 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3iru h LYS 147 CO -0.03 0.62 -0.07 1.49 -1.08 0.00 0.00 179.45 180.38 3iru h GLU 148 N 0.59 0.00 -0.22 3.15 4.81 -1.03 0.16 114.58 122.04 3iru h GLU 148 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3iru h GLU 148 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3iru h GLU 148 CO -0.01 0.07 0.00 1.04 -0.73 0.00 0.00 179.01 179.37 3iru n GLN 149 N -4.00 1.69 -0.49 1.92 6.02 -0.82 -4.93 117.38 116.77 3iru n GLN 149 Ca -0.03 -1.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 3iru n GLN 149 Cb 0.15 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.06 0.75 3.43 1.08 0.00 0.57 -4.95 105.19 107.13 3iru n GLY 150 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.30 3.11 -0.67 1.61 5.04 -0.05 -4.97 117.35 119.12 3iru s TYR 151 Ca 0.00 -0.66 0.05 0.00 -2.44 0.00 0.00 57.07 54.03 3iru s TYR 151 Cb 0.00 -3.41 0.24 0.00 0.35 0.00 0.00 41.96 39.14 3iru s TYR 151 CO 0.00 -0.95 0.72 0.25 -1.34 0.00 0.00 175.55 174.23 3iru n THR 152 N 5.48 2.32 -1.70 4.34 -2.24 -1.26 -3.41 114.28 117.81 3iru n THR 152 Ca -0.08 -5.18 -0.39 0.00 -2.27 0.00 0.00 64.05 56.13 3iru n THR 152 Cb 0.45 -2.12 0.04 0.00 -2.10 0.00 0.00 70.33 66.60 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 1.08 1.54 0.03 -0.78 -0.04 -1.26 -4.87 135.00 130.69 3iru n PRO 153 Ca 0.28 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.44 3iru n PRO 153 Cb 0.40 -2.42 0.55 0.00 -0.04 0.00 0.00 33.50 31.99 3iru n PRO 153 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iru n ALA 154 N -0.99 2.27 -3.54 0.55 0.00 0.19 -4.77 120.51 114.22 3iru n ALA 154 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3iru n ALA 154 Cb 0.44 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 3iru n ALA 154 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iru s SER 155 N -3.39 -0.52 -0.09 0.00 0.15 -1.25 -4.96 113.70 103.64 3iru s SER 155 Ca 0.13 0.93 -0.00 0.00 0.70 0.00 0.00 55.95 57.71 3iru s SER 155 Cb 0.17 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.37 3iru s SER 155 CO 0.53 -0.18 -0.06 0.42 1.20 0.00 0.00 173.24 175.14 3iru s THR 156 N 0.93 0.87 0.03 6.45 -4.23 -1.26 0.06 115.64 118.49 3iru s THR 156 Ca -0.06 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3iru s THR 156 Cb -0.06 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 3iru s THR 156 CO -0.08 0.33 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.57 3iru s VAL 157 N 1.54 3.60 0.24 2.29 1.01 0.03 -4.99 120.40 124.12 3iru s VAL 157 Ca 0.01 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3iru s VAL 157 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3iru s VAL 157 CO -0.05 0.32 -0.08 -0.36 0.00 0.00 0.00 175.10 174.93 3iru s PHE 158 N -1.05 1.80 0.46 5.22 0.08 -1.26 -3.13 117.98 120.09 3iru s PHE 158 Ca 0.18 -0.69 0.24 0.00 0.12 0.00 0.00 56.93 56.78 3iru s PHE 158 Cb -0.11 -0.97 1.26 0.00 -0.57 0.00 0.00 43.02 42.63 3iru s PHE 158 CO 0.09 0.25 1.83 0.00 -0.10 0.00 0.00 175.22 177.30 3iru h ALA 159 N 2.41 2.51 0.00 5.36 0.00 -1.31 -0.60 119.26 127.63 3iru h ALA 159 Ca -0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3iru h ALA 159 Cb 1.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iru h ALA 159 CO 0.65 -0.83 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 3iru h THR 160 N 0.24 0.96 0.00 0.00 1.03 -1.92 -3.21 112.91 110.02 3iru h THR 160 Ca 0.51 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.46 3iru h THR 160 Cb 1.56 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 3iru h THR 160 CO -0.14 0.12 0.00 0.44 -0.01 0.00 0.00 175.52 175.93 3iru h ASP 161 N 0.00 0.00 -3.90 0.00 3.32 -1.50 -3.47 116.42 110.87 3iru h ASP 161 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3iru h ASP 161 Cb 0.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.64 3iru h ASP 161 CO 0.02 0.00 -0.71 0.68 -1.72 0.00 0.00 179.24 177.50 3iru s VAL 162 N -3.50 1.21 0.03 -1.35 -7.23 -1.21 -5.02 120.40 103.33 3iru s VAL 162 Ca 0.03 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 57.87 3iru s VAL 162 Cb 0.08 -1.88 -0.17 0.00 0.56 0.00 0.00 36.38 34.97 3iru s VAL 162 CO 0.57 -0.72 1.42 0.58 -0.31 0.00 0.00 175.10 176.65 3iru h VAL 163 N 2.75 0.77 -4.25 1.32 2.07 -1.90 -3.45 116.25 113.57 3iru h VAL 163 Ca -0.37 -0.41 -0.69 0.00 0.82 0.00 0.00 66.70 66.04 3iru h VAL 163 Cb 1.19 1.00 -0.27 0.00 -1.52 0.00 0.00 31.29 31.70 3iru h VAL 163 CO 0.63 0.09 -0.83 -0.13 0.02 0.00 0.00 177.57 177.35 3iru s ARG 164 N -5.22 2.37 0.00 1.57 0.52 -1.26 -5.10 118.95 111.83 3iru s ARG 164 Ca -0.15 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3iru s ARG 164 Cb 0.03 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3iru s ARG 164 CO 0.60 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.89 3iru n GLY 165 N 2.45 1.35 3.74 -3.53 0.00 -1.26 -4.66 105.19 103.29 3iru n GLY 165 Ca -0.17 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 3iru n GLY 165 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iru s ARG 166 N 2.41 2.82 0.00 1.61 0.52 -1.26 -2.10 118.95 122.96 3iru s ARG 166 Ca 0.00 2.13 0.15 0.00 -0.52 0.00 0.00 55.73 57.49 3iru s ARG 166 Cb 0.00 -2.03 0.57 0.00 0.52 0.00 0.00 34.95 34.02 3iru s ARG 166 CO 0.00 -1.41 1.41 -0.35 0.02 0.00 0.00 175.30 174.98 3iru n PRO 167 N -1.51 1.55 -1.76 3.54 -0.04 -1.26 -4.61 135.00 130.90 3iru n PRO 167 Ca 0.13 -0.85 -0.34 0.00 -0.04 0.00 0.00 63.50 62.40 3iru n PRO 167 Cb 0.47 -1.29 0.05 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 -1.76 2.40 -0.03 0.54 0.40 -0.89 -3.27 117.98 115.36 3iru s PHE 168 Ca 0.25 1.56 0.31 0.00 -0.60 0.00 0.00 56.93 58.45 3iru s PHE 168 Cb 0.13 -3.34 1.37 0.00 0.51 0.00 0.00 43.02 41.68 3iru s PHE 168 CO 0.19 -2.07 1.92 -1.00 0.70 0.00 0.00 175.22 174.96 3iru h PRO 169 N 0.23 0.00 0.00 0.24 0.13 -1.86 -3.44 132.00 127.30 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3iru h PRO 169 CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 3iru n ASP 170 N -2.76 0.00 0.00 1.44 9.92 -1.26 -1.86 116.55 122.03 3iru n ASP 170 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3iru n ASP 170 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 -0.26 2.24 0.00 -1.26 -1.44 120.51 119.79 3iru n ALA 172 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3iru n ALA 172 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 0.89 -0.70 0.00 3.38 -1.74 -1.38 115.31 115.75 3iru h LEU 173 Ca 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3iru h LEU 173 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3iru h LEU 173 CO 0.00 0.73 0.35 0.50 0.09 0.00 0.00 178.44 180.11 3iru h LYS 174 N 0.98 1.01 -0.60 1.13 1.63 -1.51 0.23 116.57 119.43 3iru h LYS 174 Ca 0.25 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 3iru h LYS 174 Cb 0.03 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3iru h LYS 174 CO -0.04 0.78 0.08 0.28 -3.45 0.00 0.00 179.45 177.11 3iru h VAL 175 N 0.98 1.25 -0.21 2.00 2.07 -1.74 -2.04 116.25 118.56 3iru h VAL 175 Ca 0.24 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3iru h VAL 175 Cb 0.10 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3iru h VAL 175 CO -0.03 0.37 0.03 0.00 0.02 0.00 0.00 177.57 177.95 3iru h ALA 176 N 1.16 0.28 -0.61 1.67 0.00 -0.73 0.16 119.26 121.19 3iru h ALA 176 Ca 0.18 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3iru h ALA 176 Cb 0.42 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3iru h ALA 176 CO 0.01 -0.03 0.25 -0.07 0.00 0.00 0.00 179.25 179.41 3iru h LEU 177 N 0.15 0.29 -0.66 0.00 3.38 -0.90 0.04 115.31 117.61 3iru h LEU 177 Ca 0.06 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3iru h LEU 177 Cb 0.33 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3iru h LEU 177 CO 0.01 0.18 0.13 -0.08 0.09 0.00 0.00 178.44 178.77 3iru h GLU 178 N 0.46 1.07 0.00 1.13 4.81 -1.02 -2.68 114.58 118.35 3iru h GLU 178 Ca 0.30 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3iru h GLU 178 Cb 0.33 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3iru h GLU 178 CO -0.27 0.98 0.00 1.28 -0.73 0.00 0.00 179.01 180.26 3iru n LEU 179 N -4.26 0.54 -3.39 1.64 4.77 0.52 -4.95 117.00 111.87 3iru n LEU 179 Ca 0.04 0.56 -0.18 0.00 -0.03 0.00 0.00 56.01 56.40 3iru n LEU 179 Cb 0.27 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3iru n LEU 179 CO 0.42 -0.19 0.02 -0.62 -1.33 0.00 0.00 177.39 175.70 3iru n GLU 180 N -2.02 -3.27 -2.37 3.23 1.02 -0.03 -4.99 120.64 112.21 3iru n GLU 180 Ca 0.05 0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 57.65 3iru n GLU 180 Cb 0.36 -5.55 -0.02 0.00 -0.02 0.00 0.00 31.44 26.21 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 -3.42 3.85 0.11 2.62 -7.23 -1.11 -4.99 120.40 110.23 3iru s VAL 181 Ca 0.32 1.04 0.03 0.00 -1.81 0.00 0.00 61.98 61.56 3iru s VAL 181 Cb -0.06 -3.44 -0.23 0.00 0.56 0.00 0.00 36.38 33.21 3iru s VAL 181 CO 0.76 -0.36 1.25 1.23 -0.31 0.00 0.00 175.10 177.67 3iru h GLY 182 N 1.14 0.13 -5.45 2.32 0.00 -1.94 -3.47 103.07 95.80 3iru h GLY 182 Ca -0.48 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3iru h GLY 182 CO 0.59 0.27 -0.27 -1.58 0.00 0.00 0.00 176.54 175.55 3iru s HIS 183 N -2.75 -0.53 0.32 5.60 2.46 -1.26 -5.04 115.29 114.09 3iru s HIS 183 Ca -0.01 1.20 0.01 0.00 0.47 0.00 0.00 55.06 56.74 3iru s HIS 183 Cb 0.09 0.21 0.57 0.00 -0.13 0.00 0.00 32.58 33.32 3iru s HIS 183 CO 0.84 -0.28 1.96 -0.39 -2.47 0.00 0.00 174.74 174.39 3iru h VAL 184 N 5.05 1.12 0.00 0.89 -1.51 -1.91 -1.83 116.25 118.06 3iru h VAL 184 Ca -0.32 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 3iru h VAL 184 Cb 1.18 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3iru h VAL 184 CO 0.27 0.18 0.00 0.59 -1.23 0.00 0.00 177.57 177.38 3iru n ASN 185 N -4.45 0.00 -1.26 4.19 3.02 -1.23 -1.81 115.26 113.73 3iru n ASN 185 Ca 0.11 0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 3iru n ASN 185 Cb 0.13 -0.31 0.27 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.22 2.07 3.72 7.41 0.00 -0.69 -4.76 105.19 112.73 3iru n GLY 186 Ca 0.06 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.14 3.84 -0.15 0.00 1.01 -0.64 -1.30 121.20 122.82 3iru s ILE 188 Ca 0.21 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 3iru s ILE 188 Cb -0.12 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3iru s ILE 188 CO 0.12 0.43 0.31 -0.75 0.00 0.00 0.00 174.94 175.05 3iru s LYS 189 N 1.04 4.22 -0.10 2.79 2.47 -0.11 -0.38 119.74 129.66 3iru s LYS 189 Ca 0.02 0.13 0.03 0.00 -1.56 0.00 0.00 55.97 54.59 3iru s LYS 189 Cb -0.14 -3.41 -0.01 0.00 -1.46 0.00 0.00 37.83 32.81 3iru s LYS 189 CO 0.01 0.27 -0.21 0.08 0.16 0.00 0.00 175.35 175.66 3iru s VAL 190 N 0.36 2.35 0.10 4.02 1.01 0.86 0.12 120.40 129.23 3iru s VAL 190 Ca 0.18 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3iru s VAL 190 Cb -0.13 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.38 3iru s VAL 190 CO 0.05 0.55 0.51 -0.62 0.00 0.00 0.00 175.10 175.59 3iru s ASP 191 N 0.26 -0.41 0.00 3.32 -1.08 -0.64 -1.32 116.67 116.80 3iru s ASP 191 Ca -0.14 -0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 3iru s ASP 191 Cb -0.17 0.52 0.32 0.00 -1.46 0.00 0.00 42.92 42.13 3iru s ASP 191 CO 0.07 -0.82 1.23 -0.90 0.52 0.00 0.00 175.17 175.27 3iru n ASP 192 N 0.01 2.94 -4.22 -0.34 5.75 -1.26 -1.34 116.55 118.08 3iru n ASP 192 Ca -0.17 -1.88 -0.23 0.00 -0.01 0.00 0.00 54.79 52.50 3iru n ASP 192 Cb 0.63 -0.21 -0.13 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.10 1.47 0.23 2.12 -4.23 -1.26 -4.18 115.64 108.69 3iru s THR 193 Ca 0.27 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.45 3iru s THR 193 Cb 0.15 -1.32 0.19 0.00 1.34 0.00 0.00 72.50 72.86 3iru s THR 193 CO 0.21 0.02 1.74 -0.07 -0.54 0.00 0.00 174.62 175.98 3iru h LEU 194 N 4.57 0.27 -1.20 4.79 4.07 -1.96 -1.28 115.31 124.58 3iru h LEU 194 Ca -0.42 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.60 3iru h LEU 194 Cb 1.18 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 3iru h LEU 194 CO 0.42 0.13 0.18 -0.65 -1.08 0.00 0.00 178.44 177.44 3iru h PRO 195 N 0.45 0.74 -0.42 1.13 0.11 -1.95 -2.01 132.00 130.04 3iru h PRO 195 Ca 0.37 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3iru h PRO 195 Cb 0.51 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3iru h PRO 195 CO -0.36 0.62 0.19 0.78 -0.21 0.00 0.00 178.00 179.03 3iru h GLY 196 N 0.88 0.65 0.61 -0.55 0.00 -1.70 -1.70 103.07 101.26 3iru h GLY 196 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3iru h GLY 196 CO -0.01 0.31 -0.20 -2.22 0.00 0.00 0.00 176.54 174.42 3iru h ILE 197 N 0.53 0.53 -0.18 2.60 1.08 -0.91 -2.04 117.51 119.12 3iru h ILE 197 Ca 0.14 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.64 3iru h ILE 197 Cb 0.14 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3iru h ILE 197 CO -0.02 0.00 0.12 -0.08 -0.69 0.00 0.00 178.15 177.49 3iru h GLU 198 N -0.37 0.11 -0.10 2.37 4.81 -1.24 -1.93 114.58 118.24 3iru h GLU 198 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3iru h GLU 198 Cb 0.40 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3iru h GLU 198 CO -0.14 0.07 0.05 1.49 -0.73 0.00 0.00 179.01 179.76 3iru h GLU 199 N 0.12 0.14 -0.26 1.92 4.81 -0.60 -0.74 114.58 119.97 3iru h GLU 199 Ca 0.08 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3iru h GLU 199 Cb 0.16 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3iru h GLU 199 CO -0.01 0.21 0.01 0.78 -0.73 0.00 0.00 179.01 179.27 3iru h GLY 200 N 0.04 0.26 0.41 1.92 0.00 -0.98 -2.37 103.07 102.35 3iru h GLY 200 Ca 0.03 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.48 3iru h GLY 200 CO -0.00 -0.04 0.27 1.41 0.00 0.00 0.00 176.54 178.17 3iru h LEU 201 N 0.09 0.30 -0.22 3.11 3.38 -1.22 -1.39 115.31 119.36 3iru h LEU 201 Ca 0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3iru h LEU 201 Cb 0.15 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iru h LEU 201 CO -0.19 0.18 0.00 0.54 0.09 0.00 0.00 178.44 179.05 3iru n ARG 202 N -4.95 0.24 -0.05 1.13 1.74 -0.30 -2.24 116.66 112.23 3iru n ARG 202 Ca 0.09 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 3iru n ARG 202 Cb 0.27 -1.83 0.43 0.00 -1.02 0.00 0.00 32.46 30.31 3iru n ARG 202 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iru n ALA 203 N -1.79 2.54 -1.54 7.54 0.00 -0.54 -4.81 120.51 121.92 3iru n ALA 203 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 3iru n ALA 203 Cb 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.16 0.59 3.89 0.00 0.00 -0.95 -4.92 105.19 104.96 3iru n GLY 204 Ca 0.17 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.01 3.32 -0.02 1.61 0.52 -0.42 -3.50 118.94 117.45 3iru s TRP 206 Ca 0.01 -0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.16 3iru s TRP 206 Cb -0.00 -1.55 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 3iru s TRP 206 CO 0.02 0.50 -0.12 0.95 0.02 0.00 0.00 176.95 178.32 3iru s THR 207 N -1.89 0.96 -0.13 2.01 -4.23 -1.26 -0.94 115.64 110.15 3iru s THR 207 Ca 0.33 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 3iru s THR 207 Cb -0.10 -0.82 0.01 0.00 1.34 0.00 0.00 72.50 72.93 3iru s THR 207 CO 0.27 0.28 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.72 3iru s VAL 208 N -0.10 2.16 0.18 2.29 1.01 0.12 -1.40 120.40 124.66 3iru s VAL 208 Ca 0.01 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 3iru s VAL 208 Cb -0.07 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 3iru s VAL 208 CO 0.00 0.55 0.60 -0.83 0.00 0.00 0.00 175.10 175.42 3iru s GLY 209 N 0.69 2.48 -0.16 4.51 0.00 0.36 -1.62 107.32 113.58 3iru s GLY 209 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 3iru s GLY 209 CO 0.01 0.23 -0.12 -1.34 0.00 0.00 0.00 173.10 171.87 3iru s VAL 210 N -1.52 2.92 -0.21 1.40 -7.23 -0.45 -1.08 120.40 114.23 3iru s VAL 210 Ca 0.40 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.78 3iru s VAL 210 Cb -0.15 -2.26 -0.19 0.00 0.56 0.00 0.00 36.38 34.35 3iru s VAL 210 CO 0.20 0.50 0.03 -1.54 -0.31 0.00 0.00 175.10 173.97 3iru n SER 211 N 4.11 1.97 0.02 4.85 3.41 -0.06 -4.54 113.62 123.39 3iru n SER 211 Ca -0.19 0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 3iru n SER 211 Cb 0.52 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 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 -3.44 0.63 0.00 0.00 3.41 -1.03 -4.66 113.62 108.53 3iru n SER 213 Ca -0.26 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 3iru n SER 213 Cb 1.05 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 1.07 5.14 0.27 5.00 0.00 -1.21 0.25 105.19 115.71 3iru n GLY 214 Ca 0.22 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 0.53 1.61 -1.24 -1.75 -0.87 115.58 113.86 3iru h ASN 215 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 3iru h ASN 215 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3iru h ASN 215 CO 0.00 0.07 -0.57 -0.33 -1.29 0.00 0.00 177.43 175.31 3iru h GLU 216 N 0.00 0.04 0.00 6.67 4.39 -1.80 -3.36 114.58 120.53 3iru h GLU 216 Ca -0.00 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3iru h GLU 216 Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3iru h GLU 216 CO 0.01 0.60 -1.53 0.28 -1.16 0.00 0.00 179.01 177.21 3iru n VAL 217 N -3.87 1.51 -0.65 3.13 0.31 -1.10 -4.82 118.33 112.85 3iru n VAL 217 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3iru n VAL 217 Cb 0.58 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 1.39 0.64 3.83 2.92 0.00 -0.35 -5.05 105.19 108.57 3iru n GLY 218 Ca -0.29 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 4.09 1.13 0.99 1.43 -1.26 -4.88 118.68 120.18 3iru s LEU 219 Ca 0.00 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 3iru s LEU 219 Cb 0.00 -2.34 0.25 0.00 0.03 0.00 0.00 46.19 44.13 3iru s LEU 219 CO 0.00 0.29 1.10 1.51 0.23 0.00 0.00 176.35 179.48 3iru s ASP 220 N -1.69 1.52 0.26 2.29 -4.77 -1.26 -3.57 116.67 109.45 3iru s ASP 220 Ca 0.23 0.86 -0.03 0.00 -3.30 0.00 0.00 52.55 50.32 3iru s ASP 220 Cb -0.12 -1.29 0.32 0.00 -1.09 0.00 0.00 42.92 40.74 3iru s ASP 220 CO 0.14 -3.78 1.77 -0.09 0.70 0.00 0.00 175.17 173.91 3iru h ARG 221 N -2.34 0.84 -0.27 2.11 2.43 -2.00 -1.26 114.38 113.90 3iru h ARG 221 Ca -0.49 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.41 3iru h ARG 221 Cb 1.31 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3iru h ARG 221 CO 0.44 0.81 -0.05 1.49 -1.51 0.00 0.00 179.97 181.15 3iru h GLU 222 N 0.80 0.51 0.00 0.20 4.81 -1.99 -2.28 114.58 116.62 3iru h GLU 222 Ca 0.16 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3iru h GLU 222 Cb 0.40 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3iru h GLU 222 CO 0.01 0.71 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.22 3iru h ASP 223 N 0.27 0.00 -0.24 1.04 5.19 -1.83 -2.27 116.42 118.57 3iru h ASP 223 Ca 0.07 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.37 3iru h ASP 223 Cb 0.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 3iru h ASP 223 CO 0.02 0.34 -0.29 -0.25 -3.12 0.00 0.00 179.24 175.95 3iru h TRP 224 N 0.00 0.76 0.00 4.55 2.91 -1.03 -3.18 115.95 119.96 3iru h TRP 224 Ca -0.00 -0.24 0.00 0.00 1.13 0.00 0.00 58.89 59.78 3iru h TRP 224 Cb 0.61 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 3iru h TRP 224 CO 0.00 0.97 -0.03 -0.56 -1.03 0.00 0.00 178.44 177.78 3iru h GLN 225 N 0.33 0.00 0.00 2.65 3.07 -1.32 -2.95 115.11 116.89 3iru h GLN 225 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.72 3iru h GLN 225 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 3iru h GLN 225 CO 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 178.83 178.76 3iru h ALA 226 N 2.46 1.39 -2.51 0.06 0.00 -1.42 -3.44 119.26 115.80 3iru h ALA 226 Ca 0.00 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 54.18 3iru h ALA 226 Cb 0.77 -0.04 0.14 0.00 0.00 0.00 0.00 17.79 18.66 3iru h ALA 226 CO 0.00 0.29 0.35 -0.51 0.00 0.00 0.00 179.25 179.38 3iru s LEU 227 N -7.86 3.23 0.51 0.00 1.43 -1.12 -5.04 118.68 109.84 3iru s LEU 227 Ca -0.03 2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 3iru s LEU 227 Cb 0.14 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.80 3iru s LEU 227 CO 0.66 -2.17 0.75 -0.94 0.23 0.00 0.00 176.35 174.88 3iru s SER 228 N -2.46 5.59 0.24 2.29 1.04 -1.26 -4.87 113.70 114.27 3iru s SER 228 Ca 0.69 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 3iru s SER 228 Cb -0.24 -1.35 0.31 0.00 0.10 0.00 0.00 66.02 64.84 3iru s SER 228 CO 0.47 -0.92 1.50 -0.24 0.98 0.00 0.00 173.24 175.03 3iru n SER 229 N -2.27 -0.53 0.02 7.02 2.88 -1.26 -1.17 113.62 118.31 3iru n SER 229 Ca 0.04 1.68 -0.06 0.00 -1.33 0.00 0.00 58.87 59.20 3iru n SER 229 Cb 0.58 -0.43 0.13 0.00 -0.75 0.00 0.00 64.21 63.75 3iru n SER 229 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3iru h ASP 230 N 0.00 0.49 -0.16 -3.46 3.32 -1.98 0.34 116.42 114.97 3iru h ASP 230 Ca 0.38 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3iru h ASP 230 Cb 0.62 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3iru h ASP 230 CO -0.97 0.86 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.03 3iru h GLU 231 N 0.38 0.32 -0.01 3.56 5.08 -1.69 -1.75 114.58 120.46 3iru h GLU 231 Ca 0.03 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iru h GLU 231 Cb 0.91 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3iru h GLU 231 CO 0.08 0.60 -0.12 1.96 -1.00 0.00 0.00 179.01 180.53 3iru h GLN 232 N 0.02 -0.19 -0.97 2.33 4.20 -1.06 -2.04 115.11 117.40 3iru h GLN 232 Ca 0.04 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.90 3iru h GLN 232 Cb 0.49 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 3iru h GLN 232 CO 0.02 -0.13 0.61 0.37 -0.67 0.00 0.00 178.83 179.03 3iru h GLN 233 N -0.20 0.86 -0.23 1.46 5.75 -0.88 0.60 115.11 122.47 3iru h GLN 233 Ca 0.05 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3iru h GLN 233 Cb 0.26 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3iru h GLN 233 CO -0.13 0.57 0.03 1.03 -2.65 0.00 0.00 178.83 177.68 3iru h SER 234 N 0.88 0.37 0.10 -0.69 0.87 -0.93 -0.59 113.55 113.57 3iru h SER 234 Ca 0.49 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3iru h SER 234 Cb 0.59 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3iru h SER 234 CO -0.25 0.55 -0.05 1.88 -0.53 0.00 0.00 176.83 178.43 3iru h TYR 235 N 0.18 -0.12 -0.66 2.24 0.05 -0.70 -2.27 116.97 115.68 3iru h TYR 235 Ca 0.07 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.96 3iru h TYR 235 Cb 0.35 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.04 3iru h TYR 235 CO 0.02 -0.06 0.22 -0.09 -1.05 0.00 0.00 178.16 177.20 3iru h ARG 236 N -0.15 0.35 0.04 4.88 2.43 -0.80 0.33 114.38 121.47 3iru h ARG 236 Ca -0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3iru h ARG 236 Cb 0.12 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3iru h ARG 236 CO 0.02 0.23 -0.06 0.37 -1.51 0.00 0.00 179.97 179.02 3iru h GLN 237 N 0.36 -0.13 -0.37 0.20 5.75 -0.97 0.21 115.11 120.16 3iru h GLN 237 Ca 0.35 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3iru h GLN 237 Cb 0.50 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 3iru h GLN 237 CO -0.38 -0.09 0.24 1.25 -2.65 0.00 0.00 178.83 177.21 3iru h HIS 238 N -0.13 0.48 0.05 3.99 2.76 -0.88 -2.17 115.15 119.25 3iru h HIS 238 Ca 0.01 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3iru h HIS 238 Cb 0.14 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 3iru h HIS 238 CO -0.11 0.31 -0.09 0.00 -1.30 0.00 0.00 177.93 176.73 3iru h ALA 239 N 1.12 -0.15 -0.87 5.26 0.00 -0.56 -2.57 119.26 121.50 3iru h ALA 239 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3iru h ALA 239 Cb -0.04 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3iru h ALA 239 CO -0.03 -0.60 0.52 0.93 0.00 0.00 0.00 179.25 180.07 3iru h GLU 240 N -0.19 0.87 -0.48 0.00 5.08 -0.52 -2.26 114.58 117.09 3iru h GLU 240 Ca 0.02 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3iru h GLU 240 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iru h GLU 240 CO -0.06 0.58 -0.19 -0.56 -1.00 0.00 0.00 179.01 177.78 3iru h GLN 241 N 0.90 0.97 -0.61 2.33 -0.00 -1.08 -0.25 115.11 117.37 3iru h GLN 241 Ca 0.40 -0.41 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 3iru h GLN 241 Cb 0.30 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.72 3iru h GLN 241 CO -0.22 1.08 -0.00 0.00 -0.00 0.00 0.00 178.83 179.69 3iru h ARG 242 N 0.83 1.09 -0.06 0.06 3.08 -1.11 -1.82 114.38 116.44 3iru h ARG 242 Ca 0.11 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3iru h ARG 242 Cb 0.76 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3iru h ARG 242 CO 0.06 1.06 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.84 3iru h LEU 243 N 0.99 0.20 -1.44 3.04 3.38 -1.16 -1.83 115.31 118.49 3iru h LEU 243 Ca 0.17 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.67 3iru h LEU 243 Cb 0.57 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3iru h LEU 243 CO 0.03 0.71 0.45 -0.26 0.09 0.00 0.00 178.44 179.47 3iru h PHE 244 N -0.30 0.68 0.00 1.13 0.04 -1.06 -1.18 116.94 116.25 3iru h PHE 244 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3iru h PHE 244 Cb 0.67 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.59 3iru h PHE 244 CO 0.11 0.35 -0.27 0.09 -0.60 0.00 0.00 178.31 177.99 3iru n ASN 245 N -4.48 0.41 -0.20 2.17 3.02 -0.69 -1.96 115.26 113.53 3iru n ASN 245 Ca 0.10 0.21 0.15 0.00 -0.03 0.00 0.00 54.58 55.01 3iru n ASN 245 Cb 0.26 -0.19 0.76 0.00 -0.61 0.00 0.00 39.78 40.00 3iru n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iru n ALA 246 N -1.61 2.64 -0.25 5.41 0.00 -0.51 -4.95 120.51 121.25 3iru n ALA 246 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3iru n ALA 246 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3iru n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iru n GLY 247 N 1.07 0.87 3.69 0.00 0.00 -0.83 -4.74 105.19 105.25 3iru n GLY 247 Ca 0.22 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.25 1.73 0.11 4.61 0.00 -0.85 -4.88 120.51 119.98 3iru n ALA 248 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 3iru n ALA 248 Cb 0.00 -2.38 0.19 0.00 0.00 0.00 0.00 19.45 17.26 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 5.76 0.18 -3.69 0.00 -0.00 -1.59 -3.43 115.15 112.39 3iru h HIS 249 Ca -0.45 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 59.73 3iru h HIS 249 Cb 1.24 -0.04 -0.19 0.00 -0.00 0.00 0.00 27.41 28.43 3iru h HIS 249 CO 0.62 0.64 -0.51 0.71 -0.00 0.00 0.00 177.93 179.38 3iru s TYR 250 N -3.89 0.14 -0.04 2.45 2.02 -0.92 -5.03 117.35 112.08 3iru s TYR 250 Ca -0.03 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3iru s TYR 250 Cb 0.13 -0.10 0.02 0.00 -0.40 0.00 0.00 41.96 41.60 3iru s TYR 250 CO 0.77 -0.34 -0.05 0.08 -1.57 0.00 0.00 175.55 174.44 3iru s VAL 251 N -2.14 0.56 0.21 0.71 1.01 -1.26 -0.49 120.40 119.00 3iru s VAL 251 Ca -0.09 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3iru s VAL 251 Cb -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 3iru s VAL 251 CO -0.02 0.22 -0.00 0.27 0.00 0.00 0.00 175.10 175.56 3iru s ILE 252 N 0.74 0.91 0.14 2.22 -4.36 -0.24 -4.96 121.20 115.65 3iru s ILE 252 Ca -0.10 -2.02 -0.16 0.00 -0.26 0.00 0.00 60.65 58.11 3iru s ILE 252 Cb -0.13 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 3iru s ILE 252 CO 0.00 -0.38 1.75 0.44 0.24 0.00 0.00 174.94 176.99 3iru h ASP 253 N 2.55 0.47 -5.01 4.36 5.19 -1.95 -0.13 116.42 121.91 3iru h ASP 253 Ca -0.38 -0.08 0.04 0.00 -0.62 0.00 0.00 57.03 55.99 3iru h ASP 253 Cb 1.22 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 3iru h ASP 253 CO 0.64 0.42 0.22 -0.94 -3.12 0.00 0.00 179.24 176.46 3iru s SER 254 N -5.67 -0.19 0.12 6.45 1.04 -1.26 -1.35 113.70 112.84 3iru s SER 254 Ca -0.13 -0.73 0.16 0.00 0.48 0.00 0.00 55.95 55.73 3iru s SER 254 Cb 0.10 0.75 0.71 0.00 0.10 0.00 0.00 66.02 67.68 3iru s SER 254 CO 0.73 -1.41 1.50 1.33 0.98 0.00 0.00 173.24 176.37 3iru n VAL 255 N -0.47 1.10 0.27 5.02 0.24 -1.26 -1.80 118.33 121.43 3iru n VAL 255 Ca -0.05 0.34 0.17 0.00 -2.04 0.00 0.00 64.34 62.76 3iru n VAL 255 Cb 0.59 -1.21 0.87 0.00 -1.47 0.00 0.00 33.84 32.62 3iru n VAL 255 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iru h ALA 256 N 2.29 1.00 -0.65 2.33 0.00 -1.84 -2.63 119.26 119.76 3iru h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iru h ALA 256 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iru h ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3iru n ASP 257 N -2.69 4.58 0.21 0.00 8.00 -0.74 -4.62 116.55 121.28 3iru n ASP 257 Ca -0.02 -2.37 0.05 0.00 0.71 0.00 0.00 54.79 53.16 3iru n ASP 257 Cb 0.09 -0.56 0.44 0.00 -0.02 0.00 0.00 41.12 41.08 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 4.03 0.00 -0.58 0.64 3.38 -1.66 -3.34 115.31 117.78 3iru h LEU 258 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3iru h LEU 258 Cb 1.36 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 3iru h LEU 258 CO 0.19 0.31 0.05 -0.33 0.09 0.00 0.00 178.44 178.74 3iru h GLU 259 N 0.00 0.16 0.00 1.13 5.08 -1.86 -0.65 114.58 118.44 3iru h GLU 259 Ca -0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3iru h GLU 259 Cb 0.61 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3iru h GLU 259 CO 0.04 0.11 -0.26 1.79 -1.00 0.00 0.00 179.01 179.68 3iru h THR 260 N 0.17 0.70 -0.25 1.13 1.35 -1.97 -2.53 112.91 111.51 3iru h THR 260 Ca 0.30 -1.15 -0.07 0.00 -0.55 0.00 0.00 66.41 64.94 3iru h THR 260 Cb 0.47 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3iru h THR 260 CO -0.46 0.26 -0.11 0.58 -0.25 0.00 0.00 175.52 175.54 3iru h VAL 261 N 0.00 1.30 0.11 6.82 2.07 -1.33 -1.70 116.25 123.51 3iru h VAL 261 Ca -0.00 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.35 3iru h VAL 261 Cb 0.72 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3iru h VAL 261 CO 0.03 0.37 -0.26 0.40 0.02 0.00 0.00 177.57 178.14 3iru h ILE 262 N 0.25 0.43 -0.54 4.57 1.08 -1.11 0.21 117.51 122.40 3iru h ILE 262 Ca 0.06 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.63 3iru h ILE 262 Cb 0.62 0.43 -0.10 0.00 -3.07 0.00 0.00 36.82 34.69 3iru h ILE 262 CO 0.04 0.00 -0.15 0.74 -0.69 0.00 0.00 178.15 178.08 3iru h THR 263 N -0.46 0.43 -0.40 -0.27 2.02 -1.49 0.25 112.91 113.00 3iru h THR 263 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3iru h THR 263 Cb 0.49 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3iru h THR 263 CO -0.16 0.00 0.26 -0.78 0.37 0.00 0.00 175.52 175.21 3iru h ASP 264 N -0.02 0.47 -0.53 4.18 3.58 -0.62 -1.79 116.42 121.69 3iru h ASP 264 Ca 0.26 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 3iru h ASP 264 Cb 0.41 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3iru h ASP 264 CO -0.56 0.35 0.10 0.58 -2.88 0.00 0.00 179.24 176.83 3iru h VAL 265 N 0.54 1.25 -0.61 2.25 2.07 0.33 -1.03 116.25 121.05 3iru h VAL 265 Ca 0.15 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.86 3iru h VAL 265 Cb -0.05 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 3iru h VAL 265 CO -0.03 0.33 0.18 0.78 0.02 0.00 0.00 177.57 178.85 3iru h ASN 266 N 0.75 0.12 -0.62 0.57 2.35 -0.41 -0.90 115.58 117.44 3iru h ASN 266 Ca 0.16 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3iru h ASN 266 Cb 0.37 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 3iru h ASN 266 CO 0.01 0.07 0.41 -0.09 -1.65 0.00 0.00 177.43 176.17 3iru h ARG 267 N 0.33 0.80 -0.25 0.81 2.43 -0.57 -1.71 114.38 116.22 3iru h ARG 267 Ca 0.32 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 3iru h ARG 267 Cb 0.44 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3iru h ARG 267 CO -0.36 0.53 -0.41 0.00 -1.51 0.00 0.00 179.97 178.22 3iru h ARG 268 N 0.83 0.60 -0.23 0.20 3.08 -0.75 -2.77 114.38 115.33 3iru h ARG 268 Ca 0.23 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3iru h ARG 268 Cb -0.08 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3iru h ARG 268 CO -0.06 0.90 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.43 3iru h LEU 269 N 0.49 0.61 -1.49 3.04 3.38 -0.94 0.11 115.31 120.51 3iru h LEU 269 Ca 0.04 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 57.69 3iru h LEU 269 Cb 0.92 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 3iru h LEU 269 CO 0.08 0.97 0.55 0.00 0.09 0.00 0.00 178.44 180.13 3iru h ALA 270 N 0.66 2.07 -0.26 1.53 0.00 -1.24 -0.09 119.26 121.92 3iru h ALA 270 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iru h ALA 270 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iru h ALA 270 CO 0.06 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.55 3iru n ARG 271 N -4.51 1.83 -0.84 0.00 1.74 -1.05 -4.94 116.66 108.88 3iru n ARG 271 Ca 0.16 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3iru n ARG 271 Cb 0.56 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3iru n ARG 271 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iru n GLY 272 N 1.14 0.52 3.79 -0.13 0.00 -0.05 -5.07 105.19 105.40 3iru n GLY 272 Ca 0.15 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.04 4.40 0.21 1.61 2.02 0.35 -5.00 118.70 121.27 3iru s GLU 273 Ca 0.00 1.29 0.08 0.00 0.02 0.00 0.00 54.97 56.36 3iru s GLU 273 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 3iru s GLU 273 CO 0.00 0.11 0.02 0.15 0.02 0.00 0.00 175.26 175.57 3iru s LYS 274 N -2.48 2.43 0.00 1.61 1.02 -1.26 -4.44 119.74 116.62 3iru s LYS 274 Ca 0.55 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3iru s LYS 274 Cb -0.16 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3iru s LYS 274 CO 0.21 0.42 0.29 -2.30 -0.92 0.00 0.00 175.35 173.05