#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ius n GLY 3 N 0.00 1.19 3.05 3.38 0.00 -1.26 -5.08 105.19 106.47 3ius n GLY 3 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 3ius n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ius s THR 4 N -2.27 1.83 -0.19 2.61 2.01 -1.26 -2.04 115.64 116.33 3ius s THR 4 Ca 0.00 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 3ius s THR 4 Cb 0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 3ius s THR 4 CO 0.00 0.30 0.02 -0.22 -0.69 0.00 0.00 174.62 174.03 3ius s LEU 5 N 1.34 3.46 -0.26 4.42 2.96 0.06 -0.67 118.68 130.00 3ius s LEU 5 Ca 0.00 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3ius s LEU 5 Cb -0.15 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3ius s LEU 5 CO -0.10 0.11 0.13 -0.22 -1.32 0.00 0.00 176.35 174.96 3ius s LEU 6 N 0.75 3.82 -0.30 -0.68 2.96 -0.14 -0.66 118.68 124.43 3ius s LEU 6 Ca 0.01 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3ius s LEU 6 Cb -0.14 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.58 3ius s LEU 6 CO 0.02 -0.01 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.47 3ius s SER 7 N 1.50 4.76 -0.08 3.68 0.15 0.12 -1.12 113.70 122.71 3ius s SER 7 Ca 0.06 -1.45 -0.27 0.00 0.70 0.00 0.00 55.95 55.00 3ius s SER 7 Cb -0.15 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 3ius s SER 7 CO 0.07 -0.27 0.87 -0.36 1.20 0.00 0.00 173.24 174.75 3ius s PHE 8 N 1.16 3.54 -0.76 3.44 0.08 -0.23 -1.21 117.98 124.01 3ius s PHE 8 Ca -0.04 1.43 -0.01 0.00 0.12 0.00 0.00 56.93 58.43 3ius s PHE 8 Cb -0.20 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 3ius s PHE 8 CO -0.03 -0.08 0.64 0.41 -0.10 0.00 0.00 175.22 176.06 3ius n GLY 9 N 3.15 -0.22 3.57 4.36 0.00 -1.05 -1.46 105.19 113.54 3ius n GLY 9 Ca 0.04 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3ius n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ius s HIS 10 N -3.24 1.72 0.00 1.61 2.46 0.16 -4.50 115.29 113.49 3ius s HIS 10 Ca 0.11 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.56 3ius s HIS 10 Cb -0.01 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 3ius s HIS 10 CO 0.48 -1.34 0.00 0.41 -2.47 0.00 0.00 174.74 171.82 3ius n GLY 11 N 6.30 3.53 0.35 1.59 0.00 -1.26 -4.75 105.19 110.94 3ius n GLY 11 Ca 0.43 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 3ius n GLY 11 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ius h TYR 12 N 0.00 -0.97 0.12 1.61 3.20 -2.00 -0.66 116.97 118.27 3ius h TYR 12 Ca 0.00 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ius h TYR 12 Cb 0.00 0.49 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3ius h TYR 12 CO 0.00 -0.39 -0.06 1.15 -1.64 0.00 0.00 178.16 177.22 3ius h THR 13 N -0.24 1.06 -0.01 1.81 2.02 -1.95 -3.19 112.91 112.41 3ius h THR 13 Ca 0.18 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3ius h THR 13 Cb 0.55 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3ius h THR 13 CO -0.58 0.20 -0.05 0.00 0.37 0.00 0.00 175.52 175.46 3ius h ALA 14 N 0.23 1.90 -0.29 6.16 0.00 -1.85 -2.29 119.26 123.13 3ius h ALA 14 Ca -0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3ius h ALA 14 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ius h ALA 14 CO 0.03 0.07 -0.29 0.00 0.00 0.00 0.00 179.25 179.06 3ius h ARG 15 N 0.01 0.58 -0.63 0.00 3.08 -1.13 0.00 114.38 116.29 3ius h ARG 15 Ca 0.00 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3ius h ARG 15 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3ius h ARG 15 CO 0.01 0.81 0.23 0.28 -1.07 0.00 0.00 179.97 180.23 3ius h VAL 16 N 0.50 1.24 -0.10 2.04 2.07 -1.40 -1.34 116.25 119.26 3ius h VAL 16 Ca 0.06 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3ius h VAL 16 Cb 0.75 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3ius h VAL 16 CO 0.06 0.30 0.03 0.25 0.02 0.00 0.00 177.57 178.23 3ius h LEU 17 N 0.90 0.15 -1.16 2.57 5.85 -1.33 -2.97 115.31 119.32 3ius h LEU 17 Ca 0.21 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ius h LEU 17 Cb 0.24 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3ius h LEU 17 CO -0.01 0.32 0.44 0.77 -0.34 0.00 0.00 178.44 179.61 3ius h SER 18 N -0.03 0.90 0.27 1.25 4.64 -0.86 0.48 113.55 120.19 3ius h SER 18 Ca 0.03 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3ius h SER 18 Cb 0.23 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ius h SER 18 CO -0.00 0.70 -0.09 0.03 -0.87 0.00 0.00 176.83 176.60 3ius h ARG 19 N 1.03 0.00 0.08 4.77 3.08 -1.03 0.46 114.38 122.77 3ius h ARG 19 Ca 0.27 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.00 3ius h ARG 19 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3ius h ARG 19 CO -0.05 0.09 -1.74 0.00 -1.07 0.00 0.00 179.97 177.21 3ius h ALA 20 N 1.91 0.50 0.22 0.04 0.00 -1.06 -3.40 119.26 117.47 3ius h ALA 20 Ca -0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 54.91 53.25 3ius h ALA 20 Cb 0.25 0.49 0.03 0.00 0.00 0.00 0.00 17.79 18.56 3ius h ALA 20 CO 0.01 1.36 -1.53 -0.07 0.00 0.00 0.00 179.25 179.02 3ius h LEU 21 N 0.04 0.74 -0.57 0.00 3.38 -0.55 -3.38 115.31 114.98 3ius h LEU 21 Ca -0.31 -0.86 0.10 0.00 0.09 0.00 0.00 57.88 56.90 3ius h LEU 21 Cb 2.02 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 42.44 3ius h LEU 21 CO 0.11 1.69 0.11 0.00 0.09 0.00 0.00 178.44 180.44 3ius h ALA 22 N 0.20 0.65 0.00 1.53 0.00 -1.12 0.29 119.26 120.82 3ius h ALA 22 Ca -0.27 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ius h ALA 22 Cb 2.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.10 3ius h ALA 22 CO 0.24 -0.31 0.00 -1.35 0.00 0.00 0.00 179.25 177.83 3ius h PRO 23 N 0.24 0.00 -0.01 0.00 0.11 -1.78 -1.97 132.00 128.60 3ius h PRO 23 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3ius h PRO 23 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3ius h PRO 23 CO -0.39 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 178.43 3ius n GLN 24 N -2.68 1.38 0.00 1.05 6.02 0.08 -4.90 117.38 118.33 3ius n GLN 24 Ca -0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 3ius n GLN 24 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3ius n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ius n GLY 25 N 1.14 0.63 3.77 1.08 0.00 -0.74 -4.91 105.19 106.16 3ius n GLY 25 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3ius n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ius s TRP 26 N -2.00 2.82 -0.24 1.61 0.52 -1.17 -4.77 118.94 115.71 3ius s TRP 26 Ca 0.00 1.50 -0.11 0.00 0.02 0.00 0.00 56.10 57.50 3ius s TRP 26 Cb 0.00 -3.49 -0.05 0.00 -1.15 0.00 0.00 33.47 28.78 3ius s TRP 26 CO 0.00 -1.76 0.20 0.50 0.02 0.00 0.00 176.95 175.91 3ius s ARG 27 N -2.58 4.07 -0.06 4.98 3.52 -0.87 -4.53 118.95 123.49 3ius s ARG 27 Ca 0.62 -0.20 0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3ius s ARG 27 Cb -0.32 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3ius s ARG 27 CO 0.40 0.01 -0.22 0.42 -0.81 0.00 0.00 175.30 175.10 3ius s ILE 28 N 1.19 2.33 -0.17 4.11 1.09 -1.26 -0.76 121.20 127.72 3ius s ILE 28 Ca 0.09 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 3ius s ILE 28 Cb -0.14 -1.87 0.02 0.00 -1.06 0.00 0.00 42.46 39.41 3ius s ILE 28 CO 0.06 0.57 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.63 3ius s ILE 29 N -0.26 2.05 -0.06 2.92 1.01 0.16 -0.44 121.20 126.59 3ius s ILE 29 Ca -0.00 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.76 3ius s ILE 29 Cb -0.13 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3ius s ILE 29 CO 0.03 0.54 -0.24 -0.83 0.00 0.00 0.00 174.94 174.44 3ius s GLY 30 N 1.20 1.32 0.16 6.18 0.00 -0.35 0.16 107.32 115.98 3ius s GLY 30 Ca 0.03 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.75 3ius s GLY 30 CO -0.11 -0.67 0.10 -0.51 0.00 0.00 0.00 173.10 171.91 3ius s THR 31 N -0.23 4.33 -0.01 0.90 -4.23 -0.35 -0.53 115.64 115.52 3ius s THR 31 Ca -0.01 -1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3ius s THR 31 Cb -0.13 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.54 3ius s THR 31 CO 0.03 -0.09 0.31 -0.55 -0.54 0.00 0.00 174.62 173.79 3ius s SER 32 N -3.01 -0.19 0.00 3.99 0.15 -0.62 -0.67 113.70 113.35 3ius s SER 32 Ca 0.30 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.28 3ius s SER 32 Cb -0.10 0.32 0.66 0.00 -1.71 0.00 0.00 66.02 65.18 3ius s SER 32 CO 0.22 -0.46 1.50 -2.11 1.20 0.00 0.00 173.24 173.59 3ius n ARG 33 N 1.22 0.62 -3.44 5.44 1.85 -0.97 -0.81 116.66 120.56 3ius n ARG 33 Ca -0.21 -0.37 -0.43 0.00 -1.00 0.00 0.00 57.85 55.83 3ius n ARG 33 Cb 0.56 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.38 3ius n ARG 33 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3ius s ASN 34 N -2.64 6.12 0.65 2.89 3.84 -1.26 -4.83 114.94 119.71 3ius s ASN 34 Ca 0.20 -0.90 0.40 0.00 0.21 0.00 0.00 52.86 52.78 3ius s ASN 34 Cb 0.19 -2.17 2.23 0.00 -0.55 0.00 0.00 41.25 40.95 3ius s ASN 34 CO 0.57 -0.47 2.31 1.55 -2.79 0.00 0.00 177.10 178.27 3ius h PRO 35 N 8.65 0.00 -0.10 0.43 0.13 -1.99 -1.15 132.00 137.96 3ius h PRO 35 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ius h PRO 35 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ius h PRO 35 CO 0.74 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.11 3ius n ASP 36 N -3.25 0.86 -3.89 1.44 3.85 -1.26 -4.77 116.55 109.53 3ius n ASP 36 Ca -0.03 -1.65 -0.39 0.00 -0.71 0.00 0.00 54.79 52.02 3ius n ASP 36 Cb 0.11 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 39.80 3ius n ASP 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ius n GLN 37 N -0.18 3.84 0.00 0.11 1.13 -0.44 -4.72 117.38 117.12 3ius n GLN 37 Ca 0.13 -4.58 0.00 0.00 -1.94 0.00 0.00 57.00 50.62 3ius n GLN 37 Cb 0.19 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.09 3ius n GLN 37 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3ius n GLU 39 N 1.35 0.00 -0.19 -1.09 4.07 -1.26 -1.53 120.64 121.99 3ius n GLU 39 Ca 0.27 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.36 3ius n GLU 39 Cb 0.36 0.00 0.22 0.00 -0.06 0.00 0.00 31.44 31.95 3ius n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ius h ALA 40 N 0.00 1.36 -0.28 4.31 0.00 -1.99 -1.17 119.26 121.48 3ius h ALA 40 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3ius h ALA 40 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ius h ALA 40 CO 0.00 0.52 0.04 0.82 0.00 0.00 0.00 179.25 180.63 3ius h ILE 41 N 0.95 1.24 -0.35 0.00 2.04 -1.62 -2.47 117.51 117.30 3ius h ILE 41 Ca 0.24 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3ius h ILE 41 Cb 0.04 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3ius h ILE 41 CO -0.04 0.26 0.18 -0.09 0.00 0.00 0.00 178.15 178.46 3ius h ARG 42 N 0.29 0.36 -0.06 2.37 2.43 -1.47 -1.98 114.38 116.32 3ius h ARG 42 Ca 0.09 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3ius h ARG 42 Cb 0.35 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3ius h ARG 42 CO 0.01 0.24 0.06 0.00 -1.51 0.00 0.00 179.97 178.77 3ius h ALA 43 N 1.17 1.72 -0.02 2.80 0.00 -1.13 -0.04 119.26 123.76 3ius h ALA 43 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ius h ALA 43 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ius h ALA 43 CO -0.09 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 3ius n SER 44 N -3.99 0.35 0.00 0.00 3.41 -0.77 -4.87 113.62 107.75 3ius n SER 44 Ca -0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3ius n SER 44 Cb 0.16 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3ius n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ius n GLY 45 N 0.96 0.82 3.57 5.00 0.00 -0.03 -2.71 105.19 112.80 3ius n GLY 45 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3ius n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius s ALA 46 N -2.00 2.92 -0.23 4.61 0.00 -1.07 -4.45 121.76 121.55 3ius s ALA 46 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 3ius s ALA 46 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3ius s ALA 46 CO 0.00 0.63 1.34 -1.21 0.00 0.00 0.00 175.76 176.53 3ius s GLU 47 N -2.06 4.03 0.12 0.00 2.02 0.41 -3.39 118.70 119.84 3ius s GLU 47 Ca 0.20 1.50 -0.30 0.00 0.02 0.00 0.00 54.97 56.39 3ius s GLU 47 Cb -0.11 -3.86 -0.06 0.00 0.10 0.00 0.00 34.13 30.20 3ius s GLU 47 CO 0.12 -0.97 1.08 -2.14 0.02 0.00 0.00 175.26 173.37 3ius s PRO 48 N 3.98 4.57 -0.03 0.39 0.02 -1.26 -1.22 135.00 141.45 3ius s PRO 48 Ca 0.58 1.65 0.05 0.00 0.02 0.00 0.00 61.00 63.30 3ius s PRO 48 Cb -0.20 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 30.98 3ius s PRO 48 CO 0.21 0.01 -0.17 -0.51 -0.33 0.00 0.00 177.00 176.21 3ius s LEU 49 N 0.15 1.97 -0.20 -5.54 1.43 0.31 -4.93 118.68 111.87 3ius s LEU 49 Ca 0.51 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3ius s LEU 49 Cb -0.27 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3ius s LEU 49 CO 0.32 0.18 0.70 -0.22 0.23 0.00 0.00 176.35 177.56 3ius s LEU 50 N -0.16 4.13 -0.22 1.79 2.96 -1.26 -1.59 118.68 124.32 3ius s LEU 50 Ca 0.01 0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 3ius s LEU 50 Cb -0.09 -2.99 0.08 0.00 0.50 0.00 0.00 46.19 43.68 3ius s LEU 50 CO 0.01 -0.34 0.53 0.86 -1.32 0.00 0.00 176.35 176.09 3ius s TRP 51 N 2.14 -0.86 0.49 5.38 -0.00 0.01 -4.18 118.94 121.93 3ius s TRP 51 Ca 0.31 1.72 -0.22 0.00 -0.00 0.00 0.00 56.10 57.91 3ius s TRP 51 Cb -0.16 0.45 -0.09 0.00 -0.00 0.00 0.00 33.47 33.68 3ius s TRP 51 CO 0.10 -0.45 0.91 -2.30 -0.00 0.00 0.00 176.95 175.20 3ius n PRO 52 N 4.51 1.07 0.00 5.86 -0.02 -1.26 -2.30 135.00 142.86 3ius n PRO 52 Ca -0.19 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ius n PRO 52 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3ius n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 53 N 1.32 -0.44 3.79 -1.23 0.00 -1.26 -4.97 105.19 102.40 3ius n GLY 53 Ca 0.11 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3ius n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ius s GLU 54 N 0.00 3.63 0.02 1.61 0.41 -1.26 -4.98 118.70 118.14 3ius s GLU 54 Ca 0.00 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 55.74 3ius s GLU 54 Cb 0.00 -2.09 -0.06 0.00 -1.78 0.00 0.00 34.13 30.20 3ius s GLU 54 CO 0.00 -0.59 1.40 -2.00 -0.49 0.00 0.00 175.26 173.58 3ius s GLU 55 N -3.20 4.29 0.33 1.61 2.12 -1.26 -4.82 118.70 117.76 3ius s GLU 55 Ca 0.69 1.99 -0.29 0.00 0.36 0.00 0.00 54.97 57.72 3ius s GLU 55 Cb -0.20 -3.51 -0.11 0.00 0.26 0.00 0.00 34.13 30.57 3ius s GLU 55 CO 0.23 -0.55 1.46 -2.14 -0.54 0.00 0.00 175.26 173.73 3ius s PRO 56 N 2.14 4.19 0.31 4.30 0.02 -1.26 -4.98 135.00 139.73 3ius s PRO 56 Ca 0.64 2.45 -0.27 0.00 0.02 0.00 0.00 61.00 63.85 3ius s PRO 56 Cb -0.33 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.07 3ius s PRO 56 CO 0.27 -0.46 0.98 0.45 -0.33 0.00 0.00 177.00 177.91 3ius s SER 57 N 0.01 7.30 0.00 2.53 0.15 -1.26 -4.96 113.70 117.47 3ius s SER 57 Ca 0.55 1.93 0.20 0.00 0.70 0.00 0.00 55.95 59.34 3ius s SER 57 Cb -0.45 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.48 3ius s SER 57 CO 0.54 -0.10 1.18 0.18 1.20 0.00 0.00 173.24 176.24 3ius n LEU 58 N 0.70 2.79 -4.71 3.45 4.77 -1.26 -4.90 117.00 117.84 3ius n LEU 58 Ca 0.01 -1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 3ius n LEU 58 Cb 0.49 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3ius n LEU 58 CO 0.46 0.51 1.31 -0.62 -1.33 0.00 0.00 177.39 177.72 3ius s ASP 59 N -1.60 6.53 0.00 -1.43 2.15 -1.26 -2.15 116.67 118.91 3ius s ASP 59 Ca 0.26 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.89 3ius s ASP 59 Cb 0.17 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3ius s ASP 59 CO 0.26 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 3ius n GLY 60 N 3.91 0.66 3.69 2.66 0.00 -1.26 -4.99 105.19 109.86 3ius n GLY 60 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ius n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ius s VAL 61 N -2.92 4.74 -0.09 1.61 1.01 -0.91 -4.51 120.40 119.33 3ius s VAL 61 Ca 0.00 1.99 0.13 0.00 0.00 0.00 0.00 61.98 64.10 3ius s VAL 61 Cb 0.00 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 3ius s VAL 61 CO 0.00 0.04 0.16 0.35 0.00 0.00 0.00 175.10 175.65 3ius n THR 62 N 4.40 0.55 -4.43 3.92 -2.24 0.16 -4.59 114.28 112.06 3ius n THR 62 Ca 0.08 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.19 3ius n THR 62 Cb 0.49 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 3ius n THR 62 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ius s HIS 63 N -2.60 0.96 -0.09 4.78 3.76 -0.53 -0.54 115.29 121.02 3ius s HIS 63 Ca -0.06 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 3ius s HIS 63 Cb 0.06 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 3ius s HIS 63 CO 0.57 -0.05 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.72 3ius s LEU 64 N -0.06 2.46 -0.03 0.89 1.02 -0.72 -0.97 118.68 121.27 3ius s LEU 64 Ca 0.01 -0.38 0.05 0.00 0.02 0.00 0.00 54.13 53.83 3ius s LEU 64 Cb -0.06 -1.51 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 3ius s LEU 64 CO -0.00 0.23 -0.18 -0.22 0.02 0.00 0.00 176.35 176.19 3ius s LEU 65 N -0.04 1.99 -0.21 1.79 2.96 -0.28 -0.39 118.68 124.49 3ius s LEU 65 Ca -0.05 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3ius s LEU 65 Cb -0.14 -1.00 0.05 0.00 0.50 0.00 0.00 46.19 45.60 3ius s LEU 65 CO 0.04 0.20 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.56 3ius s ILE 66 N -0.22 1.60 -1.77 6.68 -1.09 -0.24 -1.07 121.20 125.10 3ius s ILE 66 Ca 0.02 -1.08 0.15 0.00 -2.23 0.00 0.00 60.65 57.51 3ius s ILE 66 Cb -0.09 -1.74 0.14 0.00 -1.58 0.00 0.00 42.46 39.19 3ius s ILE 66 CO 0.01 0.08 1.00 -1.20 -1.23 0.00 0.00 174.94 173.59 3ius n SER 67 N 4.68 2.30 -4.68 3.58 7.64 -0.53 -1.49 113.62 125.11 3ius n SER 67 Ca -0.14 -1.64 -0.42 0.00 1.01 0.00 0.00 58.87 57.68 3ius n SER 67 Cb 0.46 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 3ius n SER 67 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ius s THR 68 N -1.20 4.13 0.55 0.44 -4.23 -1.24 -4.93 115.64 109.16 3ius s THR 68 Ca 0.18 1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 61.95 3ius s THR 68 Cb 0.12 -3.94 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 3ius s THR 68 CO 0.18 -0.02 1.19 0.00 -0.54 0.00 0.00 174.62 175.44 3ius s ALA 69 N 2.46 2.68 0.68 3.99 0.00 -1.26 -4.87 121.76 125.44 3ius s ALA 69 Ca 0.58 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 53.42 3ius s ALA 69 Cb -0.26 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3ius s ALA 69 CO 0.22 -1.00 1.04 -1.25 0.00 0.00 0.00 175.76 174.77 3ius s PRO 70 N -3.17 2.78 0.02 0.00 0.04 -1.26 -4.59 135.00 128.82 3ius s PRO 70 Ca 0.73 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3ius s PRO 70 Cb -0.29 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 3ius s PRO 70 CO 0.33 -0.98 0.00 -0.40 0.04 0.00 0.00 177.00 175.99 3ius n ASP 71 N -2.90 1.70 0.33 6.66 5.68 -0.22 -4.95 116.55 122.86 3ius n ASP 71 Ca 0.06 -1.11 0.17 0.00 -0.50 0.00 0.00 54.79 53.41 3ius n ASP 71 Cb 0.58 0.03 0.93 0.00 -1.14 0.00 0.00 41.12 41.51 3ius n ASP 71 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3ius h SER 72 N 0.07 0.00 0.13 -1.12 0.02 -1.96 0.29 113.55 110.98 3ius h SER 72 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3ius h SER 72 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ius h SER 72 CO 0.03 0.00 -0.38 0.61 -1.14 0.00 0.00 176.83 175.95 3ius n GLY 73 N -1.19 -0.36 0.00 -3.77 0.00 -1.26 -5.02 105.19 93.59 3ius n GLY 73 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3ius n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ius n GLY 74 N 1.38 0.89 3.63 -0.02 0.00 0.10 -4.97 105.19 106.21 3ius n GLY 74 Ca 0.11 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3ius n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ius s ASP 75 N -4.00 6.62 0.37 1.61 2.15 -1.26 -1.05 116.67 121.11 3ius s ASP 75 Ca 0.00 0.76 0.09 0.00 0.43 0.00 0.00 52.55 53.83 3ius s ASP 75 Cb 0.00 -2.35 0.74 0.00 -0.30 0.00 0.00 42.92 41.01 3ius s ASP 75 CO 0.00 -0.37 1.89 -0.65 -0.17 0.00 0.00 175.17 175.87 3ius h PRO 76 N 7.82 0.27 -0.16 4.34 0.11 -1.90 -1.13 132.00 141.35 3ius h PRO 76 Ca -0.27 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3ius h PRO 76 Cb 1.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ius h PRO 76 CO 0.78 0.42 -0.06 0.28 -0.21 0.00 0.00 178.00 179.21 3ius h VAL 77 N 0.26 1.30 -0.28 3.15 2.07 -1.93 -2.34 116.25 118.47 3ius h VAL 77 Ca 0.05 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 3ius h VAL 77 Cb 0.40 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3ius h VAL 77 CO 0.02 0.31 -0.13 -0.07 0.02 0.00 0.00 177.57 177.73 3ius h LEU 78 N 0.02 0.46 -1.20 2.57 3.38 -1.88 0.74 115.31 119.40 3ius h LEU 78 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ius h LEU 78 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3ius h LEU 78 CO 0.02 0.62 0.17 0.00 0.09 0.00 0.00 178.44 179.34 3ius h ALA 79 N 1.43 1.37 0.00 1.53 0.00 -1.02 0.21 119.26 122.78 3ius h ALA 79 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 3ius h ALA 79 Cb 0.49 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3ius h ALA 79 CO 0.03 0.47 -1.88 0.00 0.00 0.00 0.00 179.25 177.86 3ius n ALA 80 N -2.46 1.85 -0.87 0.00 0.00 -0.90 -4.65 120.51 113.48 3ius n ALA 80 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3ius n ALA 80 Cb 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3ius n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ius n LEU 81 N -2.77 0.24 -0.33 0.00 4.77 0.23 -4.88 117.00 114.26 3ius n LEU 81 Ca -0.18 -0.24 0.02 0.00 -0.03 0.00 0.00 56.01 55.58 3ius n LEU 81 Cb 0.94 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 42.19 3ius n LEU 81 CO 0.44 0.06 1.21 1.23 -1.33 0.00 0.00 177.39 178.99 3ius h GLY 82 N 0.00 1.39 0.81 -0.72 0.00 -0.63 -1.68 103.07 102.24 3ius h GLY 82 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3ius h GLY 82 CO 0.00 0.25 0.29 -0.55 0.00 0.00 0.00 176.54 176.53 3ius h ASP 83 N 1.00 0.44 -0.11 0.19 5.19 -1.90 -1.27 116.42 119.97 3ius h ASP 83 Ca 0.41 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.80 3ius h ASP 83 Cb 0.23 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 3ius h ASP 83 CO -0.19 0.31 -0.05 1.56 -3.12 0.00 0.00 179.24 177.74 3ius h GLN 84 N 0.56 0.23 -0.60 3.56 7.50 -1.76 -2.30 115.11 122.30 3ius h GLN 84 Ca 0.22 -0.10 0.03 0.00 0.50 0.00 0.00 58.65 59.30 3ius h GLN 84 Cb 0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.55 3ius h GLN 84 CO -0.12 0.58 0.36 0.82 -1.50 0.00 0.00 178.83 178.97 3ius h ILE 85 N -0.13 1.05 -0.20 2.54 2.04 -1.25 -1.46 117.51 120.11 3ius h ILE 85 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ius h ILE 85 Cb 0.51 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3ius h ILE 85 CO 0.02 0.13 0.13 0.00 0.00 0.00 0.00 178.15 178.43 3ius h ALA 86 N 1.27 0.26 -0.56 1.87 0.00 -1.21 -2.06 119.26 118.82 3ius h ALA 86 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3ius h ALA 86 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ius h ALA 86 CO -0.11 -0.26 0.37 0.00 0.00 0.00 0.00 179.25 179.25 3ius h ALA 87 N 1.06 1.73 -0.57 0.00 0.00 -0.96 -2.24 119.26 118.27 3ius h ALA 87 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ius h ALA 87 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ius h ALA 87 CO -0.02 0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.99 3ius n ARG 88 N -4.47 3.27 -0.30 0.00 1.74 -0.59 -4.69 116.66 111.62 3ius n ARG 88 Ca 0.07 -2.44 0.14 0.00 -0.77 0.00 0.00 57.85 54.84 3ius n ARG 88 Cb 0.15 -1.78 0.31 0.00 -1.02 0.00 0.00 32.46 30.12 3ius n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ius h ALA 89 N 3.96 1.37 0.00 7.54 0.00 -0.74 -0.61 119.26 130.78 3ius h ALA 89 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ius h ALA 89 Cb 1.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3ius h ALA 89 CO 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3ius n ALA 90 N -2.61 1.81 0.19 0.00 0.00 -1.26 -2.84 120.51 115.80 3ius n ALA 90 Ca 0.22 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.80 3ius n ALA 90 Cb 0.70 -1.38 0.12 0.00 0.00 0.00 0.00 19.45 18.90 3ius n ALA 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3ius h GLN 91 N 0.00 0.00 -6.59 0.00 3.07 -1.48 -3.45 115.11 106.66 3ius h GLN 91 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 3ius h GLN 91 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.94 3ius h GLN 91 CO 0.00 0.04 0.09 -0.06 0.09 0.00 0.00 178.83 178.99 3ius s PHE 92 N -3.21 3.57 -0.11 0.06 0.08 -1.13 -4.68 117.98 112.56 3ius s PHE 92 Ca 0.05 1.31 0.21 0.00 0.12 0.00 0.00 56.93 58.63 3ius s PHE 92 Cb 0.06 -2.58 -0.23 0.00 -0.57 0.00 0.00 43.02 39.71 3ius s PHE 92 CO 0.70 0.28 0.62 0.54 -0.10 0.00 0.00 175.22 177.26 3ius n ARG 93 N 0.43 0.64 -3.64 0.44 1.74 0.29 -4.81 116.66 111.76 3ius n ARG 93 Ca -0.01 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 3ius n ARG 93 Cb 0.52 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 3ius n ARG 93 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ius s TRP 94 N -3.35 -0.71 -0.06 -1.55 -0.00 -1.22 -4.87 118.94 107.18 3ius s TRP 94 Ca -0.06 1.57 0.02 0.00 -0.00 0.00 0.00 56.10 57.64 3ius s TRP 94 Cb 0.12 0.40 0.01 0.00 -0.00 0.00 0.00 33.47 34.00 3ius s TRP 94 CO 0.86 -0.35 -0.11 0.08 -0.00 0.00 0.00 176.95 177.44 3ius s VAL 95 N 0.84 1.00 -0.16 5.86 1.01 -0.19 -1.76 120.40 127.01 3ius s VAL 95 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3ius s VAL 95 Cb -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3ius s VAL 95 CO -0.10 0.32 -0.20 -0.83 0.00 0.00 0.00 175.10 174.30 3ius s GLY 96 N 0.67 1.39 -0.25 4.51 0.00 0.47 -0.50 107.32 113.61 3ius s GLY 96 Ca -0.13 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 3ius s GLY 96 CO 0.03 0.09 0.13 -0.47 0.00 0.00 0.00 173.10 172.88 3ius s TYR 97 N 0.98 3.19 -0.32 1.90 5.04 0.15 -1.08 117.35 127.21 3ius s TYR 97 Ca -0.03 -0.05 -0.26 0.00 -2.44 0.00 0.00 57.07 54.29 3ius s TYR 97 Cb -0.15 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.90 3ius s TYR 97 CO -0.05 -0.15 0.91 -0.51 -1.34 0.00 0.00 175.55 174.40 3ius s LEU 98 N 1.43 4.03 0.00 6.97 1.43 -0.56 -1.16 118.68 130.82 3ius s LEU 98 Ca 0.06 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3ius s LEU 98 Cb -0.15 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3ius s LEU 98 CO 0.06 -0.74 0.00 -0.24 0.23 0.00 0.00 176.35 175.66 3ius n SER 99 N 6.51 1.22 -4.05 2.29 2.88 0.22 -4.85 113.62 117.84 3ius n SER 99 Ca 0.07 -0.15 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 3ius n SER 99 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 3ius n SER 99 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ius s THR 100 N 1.15 0.00 -2.11 2.46 -4.23 -1.26 -1.83 115.64 109.81 3ius s THR 100 Ca 0.00 -1.94 0.30 0.00 -1.18 0.00 0.00 61.69 58.87 3ius s THR 100 Cb 0.00 -2.48 0.78 0.00 1.34 0.00 0.00 72.50 72.14 3ius s THR 100 CO 0.00 0.00 2.06 0.35 -0.54 0.00 0.00 174.62 176.49 3ius n THR 101 N -0.33 0.01 0.39 3.99 -2.24 -1.03 -3.63 114.28 111.43 3ius n THR 101 Ca 0.02 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 3ius n THR 101 Cb 0.65 -0.24 0.52 0.00 -2.10 0.00 0.00 70.33 69.16 3ius n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ius h ALA 102 N 4.04 1.00 0.00 6.98 0.00 -1.96 -2.88 119.26 126.44 3ius h ALA 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ius h ALA 102 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ius h ALA 102 CO 0.00 0.00 -0.05 -0.39 0.00 0.00 0.00 179.25 178.81 3ius h VAL 103 N 0.00 0.80 -0.05 0.00 -1.51 -1.82 -2.93 116.25 110.74 3ius h VAL 103 Ca 0.00 -0.19 -0.17 0.00 -1.23 0.00 0.00 66.70 65.12 3ius h VAL 103 Cb 0.40 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3ius h VAL 103 CO 0.00 0.05 -0.70 1.88 -1.23 0.00 0.00 177.57 177.57 3ius h TYR 104 N 0.00 0.35 -0.04 5.19 0.05 -1.81 -2.55 116.97 118.16 3ius h TYR 104 Ca -0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3ius h TYR 104 Cb 0.10 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3ius h TYR 104 CO 0.00 0.88 0.00 0.41 -1.05 0.00 0.00 178.16 178.40 3ius n GLY 105 N 0.49 -0.77 3.71 3.88 0.00 -1.11 -3.22 105.19 108.17 3ius n GLY 105 Ca -0.03 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 3ius n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ius s ASP 106 N -4.00 6.61 -0.03 1.61 2.15 -1.26 -4.49 116.67 117.27 3ius s ASP 106 Ca 0.00 0.73 0.04 0.00 0.43 0.00 0.00 52.55 53.75 3ius s ASP 106 Cb 0.00 -2.27 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 3ius s ASP 106 CO 0.00 -0.01 0.91 1.41 -0.17 0.00 0.00 175.17 177.31 3ius n HIS 107 N 3.81 0.00 -3.44 -5.34 8.25 -0.39 -4.91 115.22 113.20 3ius n HIS 107 Ca -0.08 -0.32 -0.25 0.00 -0.26 0.00 0.00 57.72 56.82 3ius n HIS 107 Cb 0.51 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3ius n HIS 107 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ius n ASP 108 N -0.42 -4.14 0.00 0.41 2.03 -0.34 -1.25 116.55 112.84 3ius n ASP 108 Ca 0.04 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.89 3ius n ASP 108 Cb 0.56 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.57 3ius n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ius n GLY 109 N -1.29 1.30 3.67 0.27 0.00 0.25 -4.94 105.19 104.45 3ius n GLY 109 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3ius n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius s ALA 110 N -2.76 1.24 0.07 4.61 0.00 -0.38 -3.96 121.76 120.58 3ius s ALA 110 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 3ius s ALA 110 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 3ius s ALA 110 CO 0.00 -2.64 0.62 -1.58 0.00 0.00 0.00 175.76 172.15 3ius s TRP 111 N -2.80 3.80 0.14 0.00 0.52 -1.26 -0.99 118.94 118.35 3ius s TRP 111 Ca 0.65 1.33 0.08 0.00 0.02 0.00 0.00 56.10 58.18 3ius s TRP 111 Cb -0.20 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 3ius s TRP 111 CO 0.58 0.52 -0.19 0.14 0.02 0.00 0.00 176.95 178.03 3ius s VAL 112 N -0.90 1.74 0.03 4.03 -7.23 0.61 -4.92 120.40 113.77 3ius s VAL 112 Ca 0.31 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3ius s VAL 112 Cb -0.20 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 3ius s VAL 112 CO 0.20 -0.23 0.02 -0.90 -0.31 0.00 0.00 175.10 173.87 3ius n ASP 113 N 0.59 0.73 0.00 4.85 5.68 -1.26 -1.11 116.55 126.04 3ius n ASP 113 Ca -0.16 -1.19 0.05 0.00 -0.50 0.00 0.00 54.79 53.00 3ius n ASP 113 Cb 0.56 0.10 0.23 0.00 -1.14 0.00 0.00 41.12 40.87 3ius n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ius n GLU 114 N -0.07 0.00 0.00 0.11 4.71 -1.26 -1.60 120.64 122.53 3ius n GLU 114 Ca -0.00 0.32 0.11 0.00 -0.01 0.00 0.00 57.16 57.58 3ius n GLU 114 Cb 0.05 -1.51 0.07 0.00 -1.01 0.00 0.00 31.44 29.04 3ius n GLU 114 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3ius n THR 115 N -1.51 0.00 -2.15 2.62 -2.24 -1.26 -4.96 114.28 104.78 3ius n THR 115 Ca 0.03 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3ius n THR 115 Cb 0.13 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 3ius n THR 115 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ius s THR 116 N -2.60 3.02 0.56 4.28 2.01 -0.63 -4.97 115.64 117.31 3ius s THR 116 Ca 0.17 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 62.82 3ius s THR 116 Cb 0.18 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 3ius s THR 116 CO 0.62 0.13 1.04 -2.65 -0.69 0.00 0.00 174.62 173.07 3ius n PRO 117 N 2.57 1.12 -3.24 4.92 -0.02 -1.26 -4.95 135.00 134.13 3ius n PRO 117 Ca 0.06 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 3ius n PRO 117 Cb 0.42 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 3ius n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ius s LEU 118 N -1.99 4.16 -0.41 2.45 1.43 -1.26 -4.79 118.68 118.26 3ius s LEU 118 Ca 0.73 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 54.22 3ius s LEU 118 Cb -0.44 -2.62 0.31 0.00 0.03 0.00 0.00 46.19 43.46 3ius s LEU 118 CO 0.49 -0.36 0.68 0.35 0.23 0.00 0.00 176.35 177.74 3ius n THR 119 N 5.27 0.08 -1.77 5.49 -2.24 -0.97 -4.99 114.28 115.15 3ius n THR 119 Ca -0.05 -4.51 -0.38 0.00 -2.27 0.00 0.00 64.05 56.85 3ius n THR 119 Cb 0.49 -1.07 0.05 0.00 -2.10 0.00 0.00 70.33 67.70 3ius n THR 119 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ius s PRO 120 N -2.08 2.91 0.00 -0.78 0.04 -1.16 -3.86 135.00 130.07 3ius s PRO 120 Ca 0.39 2.16 0.17 0.00 0.04 0.00 0.00 61.00 63.76 3ius s PRO 120 Cb 0.27 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.76 3ius s PRO 120 CO -0.09 -1.35 0.93 0.25 0.04 0.00 0.00 177.00 176.78 3ius n THR 121 N -1.37 0.00 -4.28 1.26 -2.24 -1.26 -4.83 114.28 101.55 3ius n THR 121 Ca 0.13 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 3ius n THR 121 Cb 0.46 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.84 3ius n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ius s ALA 122 N -1.79 1.54 0.17 6.98 0.00 -1.26 -5.07 121.76 122.33 3ius s ALA 122 Ca 0.16 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.20 3ius s ALA 122 Cb 0.14 0.98 0.10 0.00 0.00 0.00 0.00 23.12 24.33 3ius s ALA 122 CO 0.35 -0.45 1.78 0.00 0.00 0.00 0.00 175.76 177.45 3ius h ALA 123 N 2.50 0.56 -0.55 0.00 0.00 -1.99 -1.77 119.26 118.00 3ius h ALA 123 Ca -0.37 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3ius h ALA 123 Cb 1.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3ius h ALA 123 CO 0.60 -0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.97 3ius h ARG 124 N 0.44 0.47 -0.71 0.00 2.47 -1.99 0.11 114.38 115.17 3ius h ARG 124 Ca 0.19 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.83 3ius h ARG 124 Cb 0.11 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3ius h ARG 124 CO -0.14 0.31 0.22 0.78 0.56 0.00 0.00 179.97 181.70 3ius h GLY 125 N 0.48 1.17 1.28 0.04 0.00 -1.75 -1.42 103.07 102.87 3ius h GLY 125 Ca 0.26 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3ius h GLY 125 CO -0.21 0.63 -0.09 3.21 0.00 0.00 0.00 176.54 180.08 3ius h ARG 126 N 1.05 0.86 -0.39 4.80 3.08 -0.49 -1.72 114.38 121.57 3ius h ARG 126 Ca 0.23 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3ius h ARG 126 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3ius h ARG 126 CO -0.01 0.91 -0.12 -1.49 -1.07 0.00 0.00 179.97 178.20 3ius h TRP 127 N 0.78 0.76 -0.29 3.04 6.55 -0.50 -2.75 115.95 123.53 3ius h TRP 127 Ca 0.13 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3ius h TRP 127 Cb 0.59 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 3ius h TRP 127 CO 0.03 0.78 0.13 0.00 -1.05 0.00 0.00 178.44 178.34 3ius h ARG 128 N 0.63 0.42 -1.23 0.49 2.47 -1.02 -0.61 114.38 115.53 3ius h ARG 128 Ca 0.11 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3ius h ARG 128 Cb 0.57 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3ius h ARG 128 CO 0.04 0.41 0.00 0.28 0.56 0.00 0.00 179.97 181.25 3ius n VAL 129 N -4.78 0.00 0.00 2.04 0.31 -0.67 -0.94 118.33 114.29 3ius n VAL 129 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3ius n VAL 129 Cb 0.11 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3ius n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ius n ALA 131 N 0.81 0.00 -0.20 3.52 0.00 -0.24 -1.37 120.51 123.04 3ius n ALA 131 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3ius n ALA 131 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3ius n ALA 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ius h GLU 132 N 0.00 0.55 -0.58 0.00 5.08 -1.31 -1.45 114.58 116.88 3ius h GLU 132 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3ius h GLU 132 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ius h GLU 132 CO 0.00 0.36 0.06 1.96 -1.00 0.00 0.00 179.01 180.39 3ius h GLN 133 N 0.57 0.96 -0.27 2.33 4.20 -1.48 -0.00 115.11 121.41 3ius h GLN 133 Ca 0.26 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ius h GLN 133 Cb 0.18 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3ius h GLN 133 CO -0.18 0.91 0.12 1.96 -0.67 0.00 0.00 178.83 180.96 3ius h GLN 134 N 0.89 0.40 -0.47 1.46 4.20 -1.70 -2.05 115.11 117.86 3ius h GLN 134 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3ius h GLN 134 Cb 0.44 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3ius h GLN 134 CO 0.02 0.42 0.24 -1.49 -0.67 0.00 0.00 178.83 177.34 3ius h TRP 135 N 0.29 0.66 0.00 2.96 4.06 -1.02 -2.67 115.95 120.24 3ius h TRP 135 Ca 0.09 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3ius h TRP 135 Cb 0.16 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.11 3ius h TRP 135 CO -0.01 0.52 0.00 1.96 -3.56 0.00 0.00 178.44 177.35 3ius h GLN 136 N 0.62 0.00 0.00 0.49 4.20 -0.81 -2.51 115.11 117.09 3ius h GLN 136 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ius h GLN 136 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3ius h GLN 136 CO -0.02 0.00 -0.44 0.00 -0.67 0.00 0.00 178.83 177.70 3ius h ALA 137 N 2.09 0.76 -1.89 3.87 0.00 -1.00 -3.45 119.26 119.62 3ius h ALA 137 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3ius h ALA 137 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ius h ALA 137 CO 0.00 0.00 1.30 0.08 0.00 0.00 0.00 179.25 180.63 3ius s VAL 138 N -3.23 3.43 0.20 0.00 1.01 -0.95 -4.92 120.40 115.95 3ius s VAL 138 Ca 0.05 0.43 -0.32 0.00 0.00 0.00 0.00 61.98 62.14 3ius s VAL 138 Cb 0.09 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 3ius s VAL 138 CO 0.71 -0.36 1.58 -2.65 0.00 0.00 0.00 175.10 174.38 3ius n PRO 139 N 8.44 2.35 -1.10 2.72 -0.02 -1.26 -2.74 135.00 143.38 3ius n PRO 139 Ca 0.24 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.52 3ius n PRO 139 Cb 0.46 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 3ius n PRO 139 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ius n ASN 140 N 3.14 -4.78 -4.71 2.55 5.03 -1.26 -4.87 115.26 110.36 3ius n ASN 140 Ca 0.15 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 3ius n ASN 140 Cb 0.32 -2.60 -0.03 0.00 -1.02 0.00 0.00 39.78 36.45 3ius n ASN 140 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ius s LEU 141 N -0.82 4.39 -1.21 3.41 2.96 -1.11 -4.53 118.68 121.76 3ius s LEU 141 Ca 0.00 1.69 -0.10 0.00 -0.22 0.00 0.00 54.13 55.50 3ius s LEU 141 Cb 0.00 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 3ius s LEU 141 CO 0.00 -0.24 2.40 -2.65 -1.32 0.00 0.00 176.35 174.54 3ius n PRO 142 N 3.75 2.68 -2.82 0.98 -0.02 -1.26 -4.67 135.00 133.63 3ius n PRO 142 Ca 0.06 -1.90 -0.39 0.00 -2.02 0.00 0.00 63.50 59.24 3ius n PRO 142 Cb 0.51 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 3ius n PRO 142 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ius s LEU 143 N 0.50 4.59 -0.03 2.45 2.96 -1.26 -1.02 118.68 126.87 3ius s LEU 143 Ca 0.53 1.85 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 3ius s LEU 143 Cb 0.14 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.25 3ius s LEU 143 CO -0.03 0.14 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.10 3ius s HIS 144 N -1.24 0.54 -0.14 5.38 3.76 0.34 0.49 115.29 124.42 3ius s HIS 144 Ca 0.41 -0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 55.18 3ius s HIS 144 Cb -0.24 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.92 3ius s HIS 144 CO 0.29 -0.13 -0.03 0.08 -0.85 0.00 0.00 174.74 174.10 3ius s VAL 145 N 0.73 3.97 -0.26 -0.90 1.01 -0.58 -0.68 120.40 123.68 3ius s VAL 145 Ca -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3ius s VAL 145 Cb -0.12 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3ius s VAL 145 CO -0.00 0.51 -0.10 -0.36 0.00 0.00 0.00 175.10 175.15 3ius s PHE 146 N 0.17 3.27 -0.62 5.22 0.08 -0.31 -0.71 117.98 125.09 3ius s PHE 146 Ca -0.01 -2.29 -0.23 0.00 0.12 0.00 0.00 56.93 54.52 3ius s PHE 146 Cb -0.14 -1.95 0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3ius s PHE 146 CO 0.03 -0.87 0.93 1.03 -0.10 0.00 0.00 175.22 176.24 3ius s ARG 147 N 1.11 3.17 0.10 0.44 0.52 -0.28 0.72 118.95 124.73 3ius s ARG 147 Ca -0.08 -0.68 -0.24 0.00 -0.52 0.00 0.00 55.73 54.20 3ius s ARG 147 Cb -0.20 -4.17 -0.07 0.00 0.52 0.00 0.00 34.95 31.04 3ius s ARG 147 CO -0.05 -1.68 0.75 -0.51 0.02 0.00 0.00 175.30 173.83 3ius s LEU 148 N 3.93 4.52 0.00 2.53 1.43 -0.76 -0.79 118.68 129.53 3ius s LEU 148 Ca 0.24 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.79 3ius s LEU 148 Cb -0.16 -3.22 0.07 0.00 0.03 0.00 0.00 46.19 42.92 3ius s LEU 148 CO 0.13 0.12 0.38 0.00 0.23 0.00 0.00 176.35 177.22 3ius n ALA 149 N 2.20 -0.52 -1.84 4.21 0.00 -0.74 -2.45 120.51 121.36 3ius n ALA 149 Ca -0.05 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 3ius n ALA 149 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 3ius n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ius s GLY 150 N -3.77 1.49 0.07 0.00 0.00 -0.60 -4.66 107.32 99.85 3ius s GLY 150 Ca 0.22 1.21 -0.25 0.00 0.00 0.00 0.00 44.72 45.90 3ius s GLY 150 CO 0.16 3.13 0.78 -0.42 0.00 0.00 0.00 173.10 176.74 3ius s ILE 151 N 3.52 4.65 0.15 0.90 1.01 -1.26 -1.07 121.20 129.10 3ius s ILE 151 Ca 0.79 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 63.08 3ius s ILE 151 Cb -0.40 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 3ius s ILE 151 CO 0.35 0.39 0.11 -0.72 0.00 0.00 0.00 174.94 175.07 3ius s TYR 152 N -0.27 0.83 -4.95 3.97 -0.85 -0.77 -4.95 117.35 110.36 3ius s TYR 152 Ca 0.38 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 3ius s TYR 152 Cb -0.21 -0.42 0.00 0.00 0.38 0.00 0.00 41.96 41.71 3ius s TYR 152 CO 0.24 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 3ius n GLY 153 N -0.14 -1.31 3.69 5.49 0.00 -0.96 -0.71 105.19 111.25 3ius n GLY 153 Ca -0.05 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 3ius n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ius n PRO 154 N 0.00 2.35 0.00 1.61 -0.02 -1.26 -0.59 135.00 137.09 3ius n PRO 154 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3ius n PRO 154 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 3ius n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 155 N 2.96 3.00 2.57 -1.23 0.00 -1.26 -4.81 105.19 106.43 3ius n GLY 155 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3ius n GLY 155 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ius n ARG 156 N -2.00 2.17 -4.57 1.61 0.63 0.25 -5.08 116.66 109.67 3ius n ARG 156 Ca 0.00 -4.18 -0.27 0.00 -0.92 0.00 0.00 57.85 52.48 3ius n ARG 156 Cb 0.00 -1.98 -0.08 0.00 0.45 0.00 0.00 32.46 30.85 3ius n ARG 156 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3ius s GLY 157 N -2.90 2.66 0.00 5.14 0.00 -1.16 -2.27 107.32 108.79 3ius s GLY 157 Ca 0.44 -1.13 0.26 0.00 0.00 0.00 0.00 44.72 44.29 3ius s GLY 157 CO -0.11 -1.92 1.53 -1.55 0.00 0.00 0.00 173.10 171.06 3ius n PRO 158 N -0.97 0.25 0.19 2.90 -0.04 -1.26 -4.06 135.00 132.01 3ius n PRO 158 Ca -0.09 -0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.32 3ius n PRO 158 Cb 0.66 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.85 3ius n PRO 158 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3ius h PHE 159 N 0.33 0.00 0.00 0.54 0.04 -1.97 -2.14 116.94 113.74 3ius h PHE 159 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3ius h PHE 159 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3ius h PHE 159 CO 0.00 0.25 -0.45 0.66 -0.60 0.00 0.00 178.31 178.17 3ius h SER 160 N 0.00 0.00 0.66 2.17 4.64 -2.00 -3.21 113.55 115.81 3ius h SER 160 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ius h SER 160 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3ius h SER 160 CO 0.03 0.45 0.00 1.17 -0.87 0.00 0.00 176.83 177.61 3ius n LYS 161 N -3.70 0.23 -3.04 4.77 4.81 -0.81 -4.87 118.16 115.55 3ius n LYS 161 Ca -0.01 0.04 -0.22 0.00 -0.87 0.00 0.00 58.31 57.25 3ius n LYS 161 Cb 0.52 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.08 3ius n LYS 161 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ius s LEU 162 N -2.74 3.66 0.00 3.14 1.43 -1.21 -4.55 118.68 118.41 3ius s LEU 162 Ca 0.20 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3ius s LEU 162 Cb 0.18 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3ius s LEU 162 CO 0.44 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3ius n GLY 163 N -2.02 2.78 0.76 -3.19 0.00 -1.26 -4.81 105.19 97.46 3ius n GLY 163 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3ius n GLY 163 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ius n LYS 164 N -1.99 2.23 0.00 1.61 2.85 -1.26 -5.10 118.16 116.50 3ius n LYS 164 Ca 0.00 -2.89 0.00 0.00 -1.05 0.00 0.00 58.31 54.37 3ius n LYS 164 Cb 0.00 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 3ius n LYS 164 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ius n GLY 165 N -0.90 -0.66 2.51 2.58 0.00 -1.26 -4.87 105.19 102.58 3ius n GLY 165 Ca 0.23 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3ius n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ius n GLY 166 N 0.00 -0.50 3.30 -0.02 0.00 -1.26 -4.97 105.19 101.74 3ius n GLY 166 Ca 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3ius n GLY 166 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ius s ILE 167 N -2.85 2.30 0.01 -0.61 -4.36 -1.26 -5.13 121.20 109.30 3ius s ILE 167 Ca 0.04 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 3ius s ILE 167 Cb -0.02 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 3ius s ILE 167 CO 0.05 0.57 0.03 0.00 0.24 0.00 0.00 174.94 175.83 3ius s ARG 168 N -0.15 0.36 -0.36 0.37 1.70 -1.26 -4.51 118.95 115.11 3ius s ARG 168 Ca -0.03 -0.51 -0.14 0.00 -0.47 0.00 0.00 55.73 54.57 3ius s ARG 168 Cb -0.14 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.37 3ius s ARG 168 CO 0.04 -0.07 0.31 1.03 -1.08 0.00 0.00 175.30 175.52 3ius s ARG 169 N -1.38 3.42 -0.19 3.89 0.52 -0.33 -4.98 118.95 119.89 3ius s ARG 169 Ca -0.15 -0.62 -0.25 0.00 -0.52 0.00 0.00 55.73 54.18 3ius s ARG 169 Cb -0.09 -3.84 -0.01 0.00 0.52 0.00 0.00 34.95 31.53 3ius s ARG 169 CO -0.00 -0.55 0.85 0.42 0.02 0.00 0.00 175.30 176.04 3ius s ILE 170 N 1.86 4.86 -0.45 1.52 -1.09 -1.26 -0.63 121.20 126.00 3ius s ILE 170 Ca 0.08 1.65 -0.12 0.00 -2.23 0.00 0.00 60.65 60.04 3ius s ILE 170 Cb -0.17 -4.15 0.08 0.00 -1.58 0.00 0.00 42.46 36.64 3ius s ILE 170 CO 0.11 -0.01 0.32 -0.63 -1.23 0.00 0.00 174.94 173.51 3ius s ILE 171 N 2.36 4.63 -0.22 2.92 -1.09 -0.15 -4.59 121.20 125.05 3ius s ILE 171 Ca 0.38 -1.31 -0.05 0.00 -2.23 0.00 0.00 60.65 57.44 3ius s ILE 171 Cb -0.16 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3ius s ILE 171 CO 0.11 -0.57 -0.00 -0.75 -1.23 0.00 0.00 174.94 172.50 3ius s LYS 172 N 1.50 3.52 0.16 2.79 2.47 -1.26 -1.08 119.74 127.84 3ius s LYS 172 Ca 0.04 -0.56 -0.33 0.00 -1.56 0.00 0.00 55.97 53.56 3ius s LYS 172 Cb -0.24 -3.11 -0.13 0.00 -1.46 0.00 0.00 37.83 32.89 3ius s LYS 172 CO 0.04 -0.13 1.63 -2.30 0.16 0.00 0.00 175.35 174.74 3ius n PRO 173 N 4.67 2.32 0.00 4.03 -0.02 -1.26 -1.35 135.00 143.39 3ius n PRO 173 Ca -0.17 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3ius n PRO 173 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3ius n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 174 N 3.61 2.98 3.72 -1.23 0.00 -1.26 -4.99 105.19 108.02 3ius n GLY 174 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ius n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ius s GLN 175 N 0.00 4.25 0.11 1.61 2.00 -0.45 -4.92 119.66 122.26 3ius s GLN 175 Ca 0.00 2.26 0.05 0.00 -2.00 0.00 0.00 55.36 55.67 3ius s GLN 175 Cb 0.00 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 3ius s GLN 175 CO 0.00 -0.54 -0.12 0.14 -0.50 0.00 0.00 175.29 174.26 3ius s VAL 176 N 1.08 1.17 0.12 1.34 -7.23 -1.26 -4.03 120.40 111.60 3ius s VAL 176 Ca 0.68 -1.67 0.11 0.00 -1.81 0.00 0.00 61.98 59.28 3ius s VAL 176 Cb -0.41 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 3ius s VAL 176 CO 0.31 -0.46 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.02 3ius s PHE 177 N -2.23 2.24 0.06 2.82 0.08 0.85 -4.64 117.98 117.16 3ius s PHE 177 Ca 0.07 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 3ius s PHE 177 Cb -0.04 -1.22 -0.06 0.00 -0.57 0.00 0.00 43.02 41.12 3ius s PHE 177 CO 0.02 0.31 0.49 -1.12 -0.10 0.00 0.00 175.22 174.82 3ius s SER 178 N -1.99 6.90 0.13 1.36 0.01 -1.26 -1.93 113.70 116.92 3ius s SER 178 Ca 0.13 1.09 0.06 0.00 1.31 0.00 0.00 55.95 58.54 3ius s SER 178 Cb -0.10 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3ius s SER 178 CO 0.06 0.26 -0.15 -0.13 0.41 0.00 0.00 173.24 173.69 3ius s ARG 179 N -1.28 1.08 -0.09 12.44 0.52 -1.26 -1.56 118.95 128.80 3ius s ARG 179 Ca 0.28 -1.30 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 3ius s ARG 179 Cb -0.17 -0.97 0.03 0.00 0.52 0.00 0.00 34.95 34.36 3ius s ARG 179 CO 0.17 0.18 0.22 -1.50 0.02 0.00 0.00 175.30 174.39 3ius s ILE 180 N -2.24 -0.02 0.19 1.52 1.10 -0.23 -0.72 121.20 120.80 3ius s ILE 180 Ca 0.11 0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 60.02 3ius s ILE 180 Cb -0.04 -0.33 -0.08 0.00 0.15 0.00 0.00 42.46 42.16 3ius s ILE 180 CO 0.04 0.03 1.00 -2.28 -2.11 0.00 0.00 174.94 171.61 3ius s HIS 181 N 0.63 3.80 0.44 3.50 5.65 -1.26 -1.84 115.29 126.21 3ius s HIS 181 Ca -0.04 1.79 0.12 0.00 0.25 0.00 0.00 55.06 57.18 3ius s HIS 181 Cb -0.06 -3.10 1.02 0.00 -1.18 0.00 0.00 32.58 29.26 3ius s HIS 181 CO -0.04 0.04 2.02 -0.24 -0.65 0.00 0.00 174.74 175.88 3ius h VAL 182 N 3.55 0.96 -0.56 0.89 3.04 -1.31 -0.25 116.25 122.57 3ius h VAL 182 Ca -0.44 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.08 3ius h VAL 182 Cb 1.21 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.99 3ius h VAL 182 CO 0.70 0.07 0.23 -0.33 -1.01 0.00 0.00 177.57 177.23 3ius h GLU 183 N 0.40 0.81 -0.05 4.17 4.39 -1.92 -1.75 114.58 120.61 3ius h GLU 183 Ca 0.21 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 3ius h GLU 183 Cb 0.33 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3ius h GLU 183 CO -0.05 0.66 -0.65 -0.44 -1.16 0.00 0.00 179.01 177.36 3ius h ASP 184 N 0.80 0.25 -0.55 1.42 3.32 -1.45 -1.86 116.42 118.34 3ius h ASP 184 Ca 0.19 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ius h ASP 184 Cb 0.15 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3ius h ASP 184 CO -0.02 0.83 0.36 0.40 -1.72 0.00 0.00 179.24 179.10 3ius h ILE 185 N 0.15 1.15 -0.94 0.35 2.04 -1.03 -1.79 117.51 117.45 3ius h ILE 185 Ca -0.01 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3ius h ILE 185 Cb 1.18 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 3ius h ILE 185 CO 0.10 0.14 0.61 0.00 0.00 0.00 0.00 178.15 179.00 3ius h ALA 186 N 1.20 1.25 -0.16 1.87 0.00 -0.98 -0.77 119.26 121.65 3ius h ALA 186 Ca 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ius h ALA 186 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3ius h ALA 186 CO -0.04 0.47 0.06 1.96 0.00 0.00 0.00 179.25 181.69 3ius h GLN 187 N 1.17 0.14 -0.10 0.00 4.20 -1.02 -1.24 115.11 118.26 3ius h GLN 187 Ca 0.38 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.08 3ius h GLN 187 Cb 0.02 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ius h GLN 187 CO -0.13 0.09 0.05 0.28 -0.67 0.00 0.00 178.83 178.46 3ius h VAL 188 N 0.14 1.07 -0.26 -0.54 2.07 -0.67 0.87 116.25 118.93 3ius h VAL 188 Ca 0.07 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ius h VAL 188 Cb 0.03 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3ius h VAL 188 CO -0.07 0.06 0.09 -0.07 0.02 0.00 0.00 177.57 177.60 3ius h LEU 189 N 0.08 0.09 -0.45 2.57 3.38 -1.09 0.13 115.31 120.02 3ius h LEU 189 Ca 0.03 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ius h LEU 189 Cb 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3ius h LEU 189 CO -0.01 0.08 0.28 0.00 0.09 0.00 0.00 178.44 178.89 3ius h ALA 190 N 1.17 0.57 -0.70 1.53 0.00 -1.07 -2.79 119.26 117.97 3ius h ALA 190 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ius h ALA 190 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ius h ALA 190 CO -0.12 -0.01 0.42 0.00 0.00 0.00 0.00 179.25 179.54 3ius h ALA 191 N 1.18 0.89 0.00 0.00 0.00 -0.21 -1.68 119.26 119.44 3ius h ALA 191 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ius h ALA 191 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ius h ALA 191 CO -0.06 0.35 0.00 0.45 0.00 0.00 0.00 179.25 180.00 3ius n SER 192 N -4.55 1.25 0.00 0.00 2.88 0.38 -1.11 113.62 112.47 3ius n SER 192 Ca 0.06 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 3ius n SER 192 Cb 0.05 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 3ius n SER 192 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ius n ALA 194 N 1.23 0.00 -3.52 -1.46 0.00 -0.63 -2.14 120.51 113.99 3ius n ALA 194 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3ius n ALA 194 Cb 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 3ius n ALA 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ius n ARG 195 N 0.00 2.02 -1.84 0.00 1.74 -0.27 -5.11 116.66 113.21 3ius n ARG 195 Ca 0.00 -4.38 -0.41 0.00 -0.77 0.00 0.00 57.85 52.29 3ius n ARG 195 Cb 0.00 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3ius n ARG 195 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3ius s PRO 196 N -1.94 4.05 -0.43 5.56 0.02 -0.91 -4.99 135.00 136.36 3ius s PRO 196 Ca 0.35 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.92 3ius s PRO 196 Cb 0.10 -2.91 0.20 0.00 0.02 0.00 0.00 34.50 31.91 3ius s PRO 196 CO -0.07 -0.55 0.51 -3.47 -0.33 0.00 0.00 177.00 173.08 3ius n ASP 197 N 0.35 -1.14 -4.65 2.53 2.03 -1.26 -5.12 116.55 109.29 3ius n ASP 197 Ca 0.02 -2.64 -0.58 0.00 0.52 0.00 0.00 54.79 52.10 3ius n ASP 197 Cb 0.40 0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 3ius n ASP 197 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3ius n PRO 198 N 2.41 0.74 0.00 -0.67 -0.02 -1.26 -1.44 135.00 134.76 3ius n PRO 198 Ca 0.24 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3ius n PRO 198 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3ius n PRO 198 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 199 N 3.28 0.35 3.77 -1.23 0.00 0.18 -4.89 105.19 106.65 3ius n GLY 199 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 3ius n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius s ALA 200 N -2.10 3.03 -0.06 4.61 0.00 -0.52 -4.85 121.76 121.87 3ius s ALA 200 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.98 3ius s ALA 200 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3ius s ALA 200 CO 0.00 -0.66 -0.20 0.08 0.00 0.00 0.00 175.76 174.98 3ius s VAL 201 N -1.49 2.53 -0.06 0.00 1.01 -1.26 -1.53 120.40 119.60 3ius s VAL 201 Ca 0.62 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3ius s VAL 201 Cb -0.30 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3ius s VAL 201 CO 0.37 0.57 -0.07 -0.31 0.00 0.00 0.00 175.10 175.67 3ius s TYR 202 N -0.37 1.05 0.17 5.22 2.02 0.12 -4.93 117.35 120.64 3ius s TYR 202 Ca 0.03 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 3ius s TYR 202 Cb -0.12 -0.88 -0.08 0.00 -0.40 0.00 0.00 41.96 40.47 3ius s TYR 202 CO 0.02 -0.28 1.21 -0.80 -1.57 0.00 0.00 175.55 174.13 3ius s ASN 203 N 1.11 7.07 -0.44 2.29 0.02 -1.26 -1.13 114.94 122.59 3ius s ASN 203 Ca -0.07 2.23 0.03 0.00 -1.02 0.00 0.00 52.86 54.02 3ius s ASN 203 Cb -0.14 -2.60 0.12 0.00 0.02 0.00 0.00 41.25 38.65 3ius s ASN 203 CO -0.01 -0.40 0.20 -0.69 0.02 0.00 0.00 177.10 176.22 3ius s VAL 204 N 0.09 1.99 0.16 1.60 1.01 0.03 -4.67 120.40 120.60 3ius s VAL 204 Ca 0.54 -2.73 -0.12 0.00 0.00 0.00 0.00 61.98 59.68 3ius s VAL 204 Cb -0.33 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3ius s VAL 204 CO 0.36 -0.78 0.35 0.00 0.00 0.00 0.00 175.10 175.02 3ius n ASP 206 N -0.23 0.02 0.00 0.00 5.68 0.10 -4.82 116.55 117.31 3ius n ASP 206 Ca -0.10 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.29 3ius n ASP 206 Cb 0.63 -0.04 0.45 0.00 -1.14 0.00 0.00 41.12 41.02 3ius n ASP 206 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ius n ASP 207 N -3.02 0.24 -3.63 -1.12 8.00 0.34 -4.71 116.55 112.66 3ius n ASP 207 Ca 0.01 0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 3ius n ASP 207 Cb 0.02 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 3ius n ASP 207 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ius s GLU 208 N -3.00 1.05 0.16 -1.24 2.12 -1.24 -5.05 118.70 111.49 3ius s GLU 208 Ca 0.13 -1.79 -0.34 0.00 0.36 0.00 0.00 54.97 53.33 3ius s GLU 208 Cb 0.18 -1.99 -0.15 0.00 0.26 0.00 0.00 34.13 32.42 3ius s GLU 208 CO 0.61 -1.18 1.31 -2.30 -0.54 0.00 0.00 175.26 173.16 3ius n PRO 209 N 3.70 1.45 -3.99 4.30 -0.02 -1.26 -4.81 135.00 134.36 3ius n PRO 209 Ca 0.10 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 3ius n PRO 209 Cb 0.35 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 3ius n PRO 209 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ius s VAL 210 N 0.15 0.19 0.19 -1.45 0.11 -0.82 -4.88 120.40 113.90 3ius s VAL 210 Ca 0.76 -0.06 -0.32 0.00 -2.93 0.00 0.00 61.98 59.43 3ius s VAL 210 Cb -0.82 -0.19 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 3ius s VAL 210 CO 0.48 0.08 1.71 -2.84 -3.33 0.00 0.00 175.10 171.20 3ius s PRO 211 N 0.18 4.14 0.45 1.54 0.02 -1.26 -0.11 135.00 139.97 3ius s PRO 211 Ca -0.01 2.56 0.17 0.00 0.02 0.00 0.00 61.00 63.73 3ius s PRO 211 Cb -0.04 -3.15 1.11 0.00 0.02 0.00 0.00 34.50 32.44 3ius s PRO 211 CO -0.00 -0.74 1.96 -1.00 -0.33 0.00 0.00 177.00 176.89 3ius h PRO 212 N 7.01 0.32 0.00 5.54 0.13 -1.91 0.57 132.00 143.66 3ius h PRO 212 Ca -0.43 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3ius h PRO 212 Cb 1.20 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ius h PRO 212 CO 0.95 0.21 -0.04 -0.56 -0.23 0.00 0.00 178.00 178.33 3ius h GLN 213 N 0.33 0.00 0.03 0.86 -0.00 -1.89 -2.52 115.11 111.92 3ius h GLN 213 Ca 0.31 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.74 3ius h GLN 213 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.22 3ius h GLN 213 CO -0.08 0.04 -1.00 -0.44 -0.00 0.00 0.00 178.83 177.35 3ius h ASP 214 N 0.00 0.15 0.10 0.06 5.19 -1.25 -1.90 116.42 118.77 3ius h ASP 214 Ca -0.00 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3ius h ASP 214 Cb 0.40 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3ius h ASP 214 CO 0.01 1.05 -0.05 0.58 -3.12 0.00 0.00 179.24 177.71 3ius h VAL 215 N 0.04 1.09 -0.52 -1.35 2.07 -1.47 -0.70 116.25 115.41 3ius h VAL 215 Ca -0.04 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3ius h VAL 215 Cb 1.71 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.99 3ius h VAL 215 CO 0.14 0.18 0.11 0.40 0.02 0.00 0.00 177.57 178.43 3ius h ILE 216 N -0.49 0.71 -0.64 4.57 2.04 -1.61 -1.00 117.51 121.10 3ius h ILE 216 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3ius h ILE 216 Cb 0.40 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3ius h ILE 216 CO 0.02 0.05 0.42 0.00 0.00 0.00 0.00 178.15 178.63 3ius h ALA 217 N 1.41 0.82 -0.28 1.87 0.00 -1.25 -2.19 119.26 119.63 3ius h ALA 217 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3ius h ALA 217 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ius h ALA 217 CO -0.34 0.21 -0.35 -0.92 0.00 0.00 0.00 179.25 177.85 3ius h TYR 218 N 0.84 0.74 -0.60 0.00 3.20 -0.41 -0.90 116.97 119.84 3ius h TYR 218 Ca 0.24 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3ius h TYR 218 Cb -0.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3ius h TYR 218 CO -0.04 0.90 0.30 0.00 -1.64 0.00 0.00 178.16 177.68 3ius h ALA 219 N 1.08 0.77 -0.39 1.82 0.00 -1.04 -0.61 119.26 120.88 3ius h ALA 219 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ius h ALA 219 Cb 0.86 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ius h ALA 219 CO 0.07 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.80 3ius h ALA 220 N 1.13 0.51 -0.24 0.00 0.00 -1.07 -2.31 119.26 117.28 3ius h ALA 220 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ius h ALA 220 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ius h ALA 220 CO -0.03 0.11 -0.05 1.49 0.00 0.00 0.00 179.25 180.78 3ius h GLU 221 N 0.49 0.01 -0.39 0.00 4.81 -0.85 -0.69 114.58 117.96 3ius h GLU 221 Ca 0.13 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3ius h GLU 221 Cb 0.18 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3ius h GLU 221 CO -0.01 0.01 0.27 -0.07 -0.73 0.00 0.00 179.01 178.47 3ius h LEU 222 N 0.01 0.26 -0.68 1.64 3.38 -0.92 -2.23 115.31 116.76 3ius h LEU 222 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ius h LEU 222 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ius h LEU 222 CO -0.23 0.17 -0.23 1.67 0.09 0.00 0.00 178.44 179.90 3ius n GLN 223 N -4.48 1.08 -2.39 1.13 -0.06 -0.78 -4.92 117.38 106.95 3ius n GLN 223 Ca 0.05 -0.68 -0.12 0.00 -2.00 0.00 0.00 57.00 54.25 3ius n GLN 223 Cb 0.25 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 3ius n GLN 223 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ius n GLY 224 N 1.32 -0.05 3.74 1.69 0.00 -0.63 -5.03 105.19 106.24 3ius n GLY 224 Ca 0.13 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3ius n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ius s LEU 225 N -3.46 3.54 0.52 0.99 1.43 -0.36 -5.04 118.68 116.29 3ius s LEU 225 Ca 0.06 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 3ius s LEU 225 Cb -0.03 -2.11 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 3ius s LEU 225 CO 0.08 0.02 1.32 -2.84 0.23 0.00 0.00 176.35 175.15 3ius s PRO 226 N -3.49 3.34 -0.06 1.29 0.02 -1.26 -4.35 135.00 130.49 3ius s PRO 226 Ca 0.31 2.15 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 3ius s PRO 226 Cb -0.08 -2.34 -0.07 0.00 0.02 0.00 0.00 34.50 32.03 3ius s PRO 226 CO 0.22 -1.00 1.92 -1.17 -0.33 0.00 0.00 177.00 176.64 3ius s LEU 227 N -3.32 4.17 0.56 -5.54 2.96 -1.26 -4.93 118.68 111.32 3ius s LEU 227 Ca 0.69 2.33 -0.20 0.00 -0.22 0.00 0.00 54.13 56.73 3ius s LEU 227 Cb -0.38 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.72 3ius s LEU 227 CO 0.46 -1.23 1.02 -2.65 -1.32 0.00 0.00 176.35 172.63 3ius n PRO 228 N 7.72 1.09 -2.03 0.98 -0.02 -1.26 -4.93 135.00 136.55 3ius n PRO 228 Ca 0.21 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3ius n PRO 228 Cb 0.43 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3ius n PRO 228 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ius s PRO 229 N -2.62 3.13 0.05 0.52 0.04 -1.26 -4.68 135.00 130.18 3ius s PRO 229 Ca 0.73 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.65 3ius s PRO 229 Cb -0.44 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3ius s PRO 229 CO 0.49 -1.09 0.15 0.00 0.04 0.00 0.00 177.00 176.59 3ius s ALA 230 N -1.55 3.80 -0.01 8.56 0.00 -1.26 -1.19 121.76 130.11 3ius s ALA 230 Ca 0.74 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.82 3ius s ALA 230 Cb -0.31 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3ius s ALA 230 CO 0.35 0.78 -0.05 0.14 0.00 0.00 0.00 175.76 176.98 3ius s VAL 231 N -1.41 0.44 0.26 0.00 -7.23 0.19 -4.90 120.40 107.76 3ius s VAL 231 Ca 0.31 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 3ius s VAL 231 Cb -0.13 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.32 3ius s VAL 231 CO 0.23 0.14 1.43 -1.81 -0.31 0.00 0.00 175.10 174.78 3ius s ASP 232 N 0.14 6.65 0.24 4.85 -0.00 -1.26 -0.98 116.67 126.31 3ius s ASP 232 Ca -0.01 2.69 -0.07 0.00 -0.00 0.00 0.00 52.55 55.15 3ius s ASP 232 Cb -0.05 -2.63 0.43 0.00 -0.00 0.00 0.00 42.92 40.67 3ius s ASP 232 CO -0.00 -0.69 1.64 0.15 -0.00 0.00 0.00 175.17 176.26 3ius h PHE 233 N 4.75 -0.05 0.00 4.23 3.04 -1.45 0.28 116.94 127.73 3ius h PHE 233 Ca -0.47 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.54 3ius h PHE 233 Cb 1.22 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.87 3ius h PHE 233 CO 0.59 -0.24 0.00 -0.40 -2.02 0.00 0.00 178.31 176.24 3ius n ASP 234 N -5.34 0.00 0.00 0.41 5.75 -1.26 -2.57 116.55 113.53 3ius n ASP 234 Ca 0.13 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3ius n ASP 234 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3ius n ASP 234 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ius n LYS 235 N -0.51 0.11 0.00 0.11 4.01 0.91 -4.84 118.16 117.95 3ius n LYS 235 Ca 0.00 -0.50 0.15 0.00 -0.51 0.00 0.00 58.31 57.45 3ius n LYS 235 Cb 0.00 -0.76 0.68 0.00 -0.51 0.00 0.00 35.03 34.44 3ius n LYS 235 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ius n ALA 236 N -0.08 2.69 -3.44 7.82 0.00 -0.84 -4.89 120.51 121.78 3ius n ALA 236 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 3ius n ALA 236 Cb 0.19 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.29 3ius n ALA 236 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ius n ASP 237 N -0.93 -4.64 -4.92 0.00 4.64 -1.26 -4.95 116.55 104.48 3ius n ASP 237 Ca 0.16 -0.47 -0.29 0.00 -1.38 0.00 0.00 54.79 52.81 3ius n ASP 237 Cb 0.25 -1.43 -0.04 0.00 -1.04 0.00 0.00 41.12 38.87 3ius n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3ius s LEU 238 N -3.26 4.32 0.80 -2.67 1.43 -1.26 -5.09 118.68 112.95 3ius s LEU 238 Ca 0.20 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 3ius s LEU 238 Cb -0.02 -3.03 0.08 0.00 0.03 0.00 0.00 46.19 43.24 3ius s LEU 238 CO 0.80 0.08 1.12 0.42 0.23 0.00 0.00 176.35 179.01 3ius s THR 239 N -1.65 2.82 -0.34 5.49 -4.23 -1.26 -4.75 115.64 111.72 3ius s THR 239 Ca 0.36 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3ius s THR 239 Cb -0.12 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3ius s THR 239 CO 0.28 -0.32 0.00 -2.65 -0.54 0.00 0.00 174.62 171.38 3ius n PRO 240 N -3.54 0.00 0.00 3.99 -0.02 -1.26 -1.01 135.00 133.15 3ius n PRO 240 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ius n PRO 240 Cb 0.52 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 3ius n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ius n ALA 242 N 0.44 0.00 0.06 3.55 0.00 -1.26 -0.99 120.51 122.31 3ius n ALA 242 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ius n ALA 242 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 3ius n ALA 242 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ius h ARG 243 N 0.00 0.37 0.00 0.00 2.43 -1.37 -2.86 114.38 112.95 3ius h ARG 243 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3ius h ARG 243 Cb 0.00 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3ius h ARG 243 CO 0.00 0.53 -0.04 0.66 -1.51 0.00 0.00 179.97 179.61 3ius h SER 244 N 0.35 0.00 1.71 -3.80 4.64 -1.31 -1.36 113.55 113.77 3ius h SER 244 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3ius h SER 244 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3ius h SER 244 CO 0.03 0.04 0.00 -0.26 -0.87 0.00 0.00 176.83 175.77 3ius h PHE 245 N 0.00 0.00 -0.54 4.77 0.04 -1.80 -3.06 116.94 116.36 3ius h PHE 245 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ius h PHE 245 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3ius h PHE 245 CO 0.00 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.37 3ius n TYR 246 N -2.88 1.51 0.82 -0.55 4.01 -0.52 -4.33 117.16 115.22 3ius n TYR 246 Ca 0.04 -0.69 0.09 0.00 -0.16 0.00 0.00 57.90 57.18 3ius n TYR 246 Cb 0.47 -0.33 0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3ius n TYR 246 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ius n SER 247 N 0.63 2.09 -3.92 7.72 3.41 -1.16 -4.91 113.62 117.49 3ius n SER 247 Ca 0.25 -1.55 -0.18 0.00 -0.26 0.00 0.00 58.87 57.13 3ius n SER 247 Cb 0.96 0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 65.06 3ius n SER 247 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ius s GLU 248 N -1.94 0.59 -0.06 4.33 2.02 -1.26 -4.82 118.70 117.56 3ius s GLU 248 Ca 0.18 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.04 3ius s GLU 248 Cb 0.15 -0.61 0.03 0.00 0.10 0.00 0.00 34.13 33.80 3ius s GLU 248 CO 0.39 0.00 -0.02 1.21 0.02 0.00 0.00 175.26 176.86 3ius s ASN 249 N 0.46 1.31 0.26 -0.19 2.47 -1.26 -4.95 114.94 113.03 3ius s ASN 249 Ca -0.05 -0.11 -0.13 0.00 0.42 0.00 0.00 52.86 52.99 3ius s ASN 249 Cb -0.09 -0.45 -0.00 0.00 -1.45 0.00 0.00 41.25 39.26 3ius s ASN 249 CO -0.00 -0.13 0.51 -1.59 -3.72 0.00 0.00 177.10 172.16 3ius s LYS 250 N 1.51 1.61 -0.06 0.43 0.00 -1.26 -0.58 119.74 121.38 3ius s LYS 250 Ca -0.02 -1.26 0.04 0.00 0.00 0.00 0.00 55.97 54.73 3ius s LYS 250 Cb -0.13 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.19 3ius s LYS 250 CO -0.03 -0.68 -0.18 1.03 0.00 0.00 0.00 175.35 175.49 3ius s ARG 251 N -3.91 2.09 -0.17 1.78 0.52 -0.16 -4.81 118.95 114.29 3ius s ARG 251 Ca 0.22 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 3ius s ARG 251 Cb -0.01 -1.72 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 3ius s ARG 251 CO 0.10 0.19 -0.05 0.08 0.02 0.00 0.00 175.30 175.63 3ius s VAL 252 N 0.23 3.64 0.31 3.52 1.01 -1.26 -0.29 120.40 127.56 3ius s VAL 252 Ca -0.09 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 3ius s VAL 252 Cb -0.14 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 3ius s VAL 252 CO 0.04 0.48 1.04 -0.13 0.00 0.00 0.00 175.10 176.53 3ius s ARG 253 N 0.61 4.56 -0.18 2.72 1.81 -0.26 -4.95 118.95 123.26 3ius s ARG 253 Ca -0.04 1.62 0.14 0.00 -1.72 0.00 0.00 55.73 55.73 3ius s ARG 253 Cb -0.15 -3.01 0.43 0.00 -0.45 0.00 0.00 34.95 31.77 3ius s ARG 253 CO 0.03 0.19 1.21 0.27 -0.68 0.00 0.00 175.30 176.32 3ius n ASN 254 N 0.87 1.77 -0.14 0.23 0.23 -1.26 -4.66 115.26 112.30 3ius n ASN 254 Ca 0.01 -3.54 -0.10 0.00 -0.53 0.00 0.00 54.58 50.41 3ius n ASN 254 Cb 0.47 -0.48 0.03 0.00 -2.08 0.00 0.00 39.78 37.72 3ius n ASN 254 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ius h ASP 255 N 1.09 0.96 -0.65 0.53 3.32 -1.93 -3.27 116.42 116.47 3ius h ASP 255 Ca -0.02 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.69 3ius h ASP 255 Cb 1.19 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 3ius h ASP 255 CO 0.06 1.14 0.41 -0.09 -1.72 0.00 0.00 179.24 179.04 3ius h ARG 256 N 0.82 0.79 0.00 3.56 2.43 -1.91 0.14 114.38 120.21 3ius h ARG 256 Ca 0.11 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3ius h ARG 256 Cb 0.78 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3ius h ARG 256 CO 0.06 0.52 -0.28 -0.84 -1.51 0.00 0.00 179.97 177.92 3ius h ILE 257 N 0.81 1.12 0.03 1.20 3.07 -1.83 0.37 117.51 122.29 3ius h ILE 257 Ca 0.25 -1.00 -0.00 0.00 1.55 0.00 0.00 64.86 65.66 3ius h ILE 257 Cb -0.02 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 3ius h ILE 257 CO -0.09 0.28 -0.02 0.11 -1.05 0.00 0.00 178.15 177.38 3ius h LYS 258 N 0.00 -0.04 0.03 0.16 1.57 -1.38 -2.26 116.57 114.65 3ius h LYS 258 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3ius h LYS 258 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3ius h LYS 258 CO 0.04 0.56 -0.99 0.93 -0.57 0.00 0.00 179.45 179.42 3ius h GLU 259 N -0.95 0.25 0.06 3.15 5.08 -0.70 -2.02 114.58 119.44 3ius h GLU 259 Ca -0.00 -0.31 -0.38 0.00 -1.00 0.00 0.00 59.36 57.67 3ius h GLU 259 Cb 0.62 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3ius h GLU 259 CO 0.01 1.05 -2.23 0.39 -1.00 0.00 0.00 179.01 177.24 3ius n GLU 260 N -3.63 0.71 0.01 2.33 1.02 0.11 -4.52 120.64 116.67 3ius n GLU 260 Ca -0.05 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 3ius n GLU 260 Cb 0.87 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3ius n GLU 260 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ius n LEU 261 N -3.37 0.65 -0.16 -4.62 4.77 -1.11 -4.97 117.00 108.20 3ius n LEU 261 Ca -0.38 -0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.40 3ius n LEU 261 Cb 1.02 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 42.04 3ius n LEU 261 CO 0.35 0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 3ius n GLY 262 N 1.41 0.55 3.74 -0.72 0.00 -0.76 -4.88 105.19 104.54 3ius n GLY 262 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3ius n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ius s VAL 263 N -2.00 3.46 -0.22 1.61 1.01 -0.87 -4.99 120.40 118.40 3ius s VAL 263 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.28 3ius s VAL 263 Cb 0.00 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.61 3ius s VAL 263 CO 0.00 0.23 -0.12 -0.60 0.00 0.00 0.00 175.10 174.62 3ius s ARG 264 N -0.59 2.23 0.18 2.72 3.52 -1.26 -4.34 118.95 121.41 3ius s ARG 264 Ca 0.51 -1.04 -0.33 0.00 -0.13 0.00 0.00 55.73 54.74 3ius s ARG 264 Cb -0.33 -2.63 -0.13 0.00 -1.56 0.00 0.00 34.95 30.29 3ius s ARG 264 CO 0.39 -0.46 1.59 1.28 -0.81 0.00 0.00 175.30 177.28 3ius n LEU 265 N 4.58 3.27 0.06 -0.88 4.77 -1.26 -4.89 117.00 122.66 3ius n LEU 265 Ca -0.15 1.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.83 3ius n LEU 265 Cb 0.45 -1.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.13 3ius n LEU 265 CO 0.21 -0.22 0.37 0.11 -1.33 0.00 0.00 177.39 176.54 3ius h LYS 266 N 5.87 0.34 -2.78 3.23 1.57 -1.96 -3.39 116.57 119.45 3ius h LYS 266 Ca -0.45 -0.28 -0.61 0.00 -1.87 0.00 0.00 60.65 57.45 3ius h LYS 266 Cb 1.25 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 3ius h LYS 266 CO 0.88 0.92 -0.77 0.71 -0.57 0.00 0.00 179.45 180.62 3ius s TYR 267 N -3.61 2.18 0.52 -1.35 2.02 -1.26 -4.95 117.35 110.90 3ius s TYR 267 Ca -0.05 -2.69 0.38 0.00 -0.37 0.00 0.00 57.07 54.34 3ius s TYR 267 Cb 0.11 -1.79 2.01 0.00 -0.40 0.00 0.00 41.96 41.88 3ius s TYR 267 CO 0.83 -0.72 2.24 -1.00 -1.57 0.00 0.00 175.55 175.33 3ius h PRO 268 N 5.86 0.00 -3.61 -1.71 0.13 -1.98 -3.45 132.00 127.24 3ius h PRO 268 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.22 3ius h PRO 268 Cb 0.86 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.89 3ius h PRO 268 CO 0.52 0.02 -0.13 0.54 -0.23 0.00 0.00 178.00 178.72 3ius s ASN 269 N -5.57 -0.10 0.43 1.44 2.20 -1.26 -0.50 114.94 111.58 3ius s ASN 269 Ca -0.04 -0.77 0.17 0.00 -0.94 0.00 0.00 52.86 51.29 3ius s ASN 269 Cb 0.13 0.54 0.98 0.00 -2.00 0.00 0.00 41.25 40.90 3ius s ASN 269 CO 0.48 -1.04 1.93 0.10 -2.94 0.00 0.00 177.10 175.63 3ius h TYR 270 N 2.32 0.00 -0.24 1.54 -0.00 -1.87 -2.15 116.97 116.57 3ius h TYR 270 Ca -0.28 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.39 3ius h TYR 270 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.97 3ius h TYR 270 CO 0.38 0.25 -0.07 0.00 -0.00 0.00 0.00 178.16 178.73 3ius h ARG 271 N 0.00 0.48 -0.07 0.10 3.08 -1.98 0.20 114.38 116.19 3ius h ARG 271 Ca -0.00 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.68 3ius h ARG 271 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3ius h ARG 271 CO 0.03 0.71 -0.73 -0.39 -1.07 0.00 0.00 179.97 178.53 3ius h VAL 272 N 0.21 1.39 -0.30 2.04 -1.51 -1.93 -2.07 116.25 114.07 3ius h VAL 272 Ca 0.06 -2.16 -0.01 0.00 -1.23 0.00 0.00 66.70 63.36 3ius h VAL 272 Cb 0.54 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3ius h VAL 272 CO 0.03 0.65 0.13 1.23 -1.23 0.00 0.00 177.57 178.38 3ius h GLY 273 N 1.33 0.47 1.20 5.19 0.00 -1.35 -2.55 103.07 107.37 3ius h GLY 273 Ca -0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3ius h GLY 273 CO 0.12 0.23 -0.06 1.41 0.00 0.00 0.00 176.54 178.24 3ius h LEU 274 N 0.35 0.94 -0.67 3.11 4.07 -0.55 -0.88 115.31 121.67 3ius h LEU 274 Ca 0.10 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 3ius h LEU 274 Cb 0.15 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 3ius h LEU 274 CO -0.01 1.03 0.29 -0.33 -1.08 0.00 0.00 178.44 178.34 3ius h GLU 275 N 0.86 0.99 -0.46 1.13 5.08 -1.35 -1.34 114.58 119.48 3ius h GLU 275 Ca 0.15 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3ius h GLU 275 Cb 0.59 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ius h GLU 275 CO 0.04 0.81 -0.12 0.00 -1.00 0.00 0.00 179.01 178.74 3ius h ALA 276 N 1.13 0.64 -0.71 3.43 0.00 -1.30 -3.04 119.26 119.40 3ius h ALA 276 Ca 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ius h ALA 276 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ius h ALA 276 CO -0.02 0.54 0.35 -0.07 0.00 0.00 0.00 179.25 180.05 3ius h LEU 277 N 0.74 0.92 -1.38 0.00 3.38 -0.96 -1.08 115.31 116.92 3ius h LEU 277 Ca 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ius h LEU 277 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3ius h LEU 277 CO 0.05 0.78 0.22 -0.61 0.09 0.00 0.00 178.44 178.98 3ius h GLN 278 N 0.98 0.64 -0.01 1.13 4.15 -1.24 -1.59 115.11 119.18 3ius h GLN 278 Ca 0.24 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3ius h GLN 278 Cb 0.10 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3ius h GLN 278 CO -0.03 0.50 -0.16 0.00 -1.93 0.00 0.00 178.83 177.21 3ius n ALA 279 N -2.46 2.86 -3.82 3.38 0.00 -0.96 -4.91 120.51 114.60 3ius n ALA 279 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 3ius n ALA 279 Cb 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.31 3ius n ALA 279 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ius n ASP 280 N -0.84 -4.42 -4.76 0.00 2.03 -0.60 -4.96 116.55 103.00 3ius n ASP 280 Ca 0.14 -0.72 -0.31 0.00 0.52 0.00 0.00 54.79 54.42 3ius n ASP 280 Cb 0.30 -3.57 -0.05 0.00 -0.72 0.00 0.00 41.12 37.09 3ius n ASP 280 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ius n ALA 281 N -4.34 0.57 -0.05 -1.67 0.00 -0.50 -5.04 120.51 109.49 3ius n ALA 281 Ca 0.03 -2.29 -0.21 0.00 0.00 0.00 0.00 53.44 50.97 3ius n ALA 281 Cb 0.53 1.15 -0.13 0.00 0.00 0.00 0.00 19.45 21.00 3ius n ALA 281 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ius n GLU 282 N -1.45 0.70 0.00 0.00 2.13 -1.26 -4.61 120.64 116.14 3ius n GLU 282 Ca -0.15 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.97 3ius n GLU 282 Cb 0.65 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3ius n GLU 282 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13