#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuu n ALA 2 N 0.00 -2.79 -1.62 4.61 0.00 -1.26 -5.10 120.51 114.35 3iuu n ALA 2 Ca 0.00 0.69 -0.46 0.00 0.00 0.00 0.00 53.44 53.67 3iuu n ALA 2 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3iuu n ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3iuu n GLN 3 N -3.66 1.59 -2.52 0.00 7.27 -1.26 -4.91 117.38 113.89 3iuu n GLN 3 Ca -0.07 0.57 -0.38 0.00 0.07 0.00 0.00 57.00 57.18 3iuu n GLN 3 Cb 0.51 -2.13 -0.04 0.00 2.41 0.00 0.00 30.24 30.99 3iuu n GLN 3 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3iuu s ARG 4 N -0.52 4.43 0.08 3.69 0.52 -1.26 -4.85 118.95 121.03 3iuu s ARG 4 Ca 0.69 1.65 0.07 0.00 -0.52 0.00 0.00 55.73 57.62 3iuu s ARG 4 Cb -0.74 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 3iuu s ARG 4 CO 0.52 0.07 -0.18 -1.54 0.02 0.00 0.00 175.30 174.19 3iuu s SER 5 N -1.22 2.17 -0.13 0.23 1.04 -1.26 -0.65 113.70 113.88 3iuu s SER 5 Ca 0.50 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3iuu s SER 5 Cb -0.27 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 3iuu s SER 5 CO 0.34 0.03 -0.17 -0.63 0.98 0.00 0.00 173.24 173.79 3iuu s ILE 6 N -1.09 2.65 0.02 -1.02 -1.09 0.17 -0.05 121.20 120.79 3iuu s ILE 6 Ca 0.04 -0.80 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 3iuu s ILE 6 Cb -0.10 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3iuu s ILE 6 CO 0.03 0.53 0.92 -0.22 -1.23 0.00 0.00 174.94 174.97 3iuu s LEU 7 N 0.44 4.40 0.10 2.97 2.96 -0.42 -0.39 118.68 128.74 3iuu s LEU 7 Ca -0.12 1.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.44 3iuu s LEU 7 Cb -0.16 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3iuu s LEU 7 CO 0.06 -0.17 -0.12 0.68 -1.32 0.00 0.00 176.35 175.48 3iuu s VAL 8 N 0.65 1.09 0.02 1.68 -7.23 -0.54 -0.23 120.40 115.83 3iuu s VAL 8 Ca 0.48 -1.58 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 3iuu s VAL 8 Cb -0.21 -1.33 0.09 0.00 0.56 0.00 0.00 36.38 35.48 3iuu s VAL 8 CO 0.27 -0.44 1.17 0.61 -0.31 0.00 0.00 175.10 176.39 3iuu n GLY 9 N 0.72 0.31 3.32 2.32 0.00 -1.25 -1.26 105.19 109.36 3iuu n GLY 9 Ca -0.17 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 3iuu n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iuu s GLN 10 N -2.02 0.48 -0.04 1.61 0.74 -0.68 -1.54 119.66 118.21 3iuu s GLN 10 Ca 0.27 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.37 3iuu s GLN 10 Cb -0.01 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.29 3iuu s GLN 10 CO 0.00 -0.09 -0.05 0.42 -0.55 0.00 0.00 175.29 175.03 3iuu s ILE 11 N 0.60 0.54 -0.17 -2.34 1.01 -0.21 -1.23 121.20 119.40 3iuu s ILE 11 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3iuu s ILE 11 Cb -0.05 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 41.92 3iuu s ILE 11 CO -0.04 0.22 -0.00 0.86 0.00 0.00 0.00 174.94 175.98 3iuu s TRP 12 N 0.79 1.27 -0.28 3.97 -0.00 0.29 -1.76 118.94 123.22 3iuu s TRP 12 Ca -0.11 -0.89 -0.24 0.00 -0.00 0.00 0.00 56.10 54.87 3iuu s TRP 12 Cb -0.14 -1.12 0.12 0.00 -0.00 0.00 0.00 33.47 32.34 3iuu s TRP 12 CO 0.00 -0.58 1.00 -1.58 -0.00 0.00 0.00 176.95 175.80 3iuu s HIS 13 N 1.77 -0.51 -0.09 5.86 2.46 -1.26 -1.02 115.29 122.50 3iuu s HIS 13 Ca 0.00 1.21 0.03 0.00 0.47 0.00 0.00 55.06 56.77 3iuu s HIS 13 Cb -0.16 0.36 0.01 0.00 -0.13 0.00 0.00 32.58 32.66 3iuu s HIS 13 CO -0.07 -0.25 -0.20 -2.00 -2.47 0.00 0.00 174.74 169.75 3iuu s GLU 14 N 0.41 2.57 0.54 2.88 2.12 -1.26 -2.47 118.70 123.49 3iuu s GLU 14 Ca 0.01 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.65 3iuu s GLU 14 Cb -0.05 -2.00 0.03 0.00 0.26 0.00 0.00 34.13 32.37 3iuu s GLU 14 CO -0.07 0.10 0.76 0.20 -0.54 0.00 0.00 175.26 175.71 3iuu s GLY 15 N 0.53 1.81 -0.12 -1.50 0.00 0.15 -1.24 107.32 106.95 3iuu s GLY 15 Ca -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 3iuu s GLY 15 CO 0.06 -1.05 0.21 -1.58 0.00 0.00 0.00 173.10 170.74 3iuu s HIS 16 N -2.73 -0.28 -0.63 1.90 2.46 -0.50 -4.82 115.29 110.68 3iuu s HIS 16 Ca 0.57 0.68 0.20 0.00 0.47 0.00 0.00 55.06 56.98 3iuu s HIS 16 Cb -0.10 -0.20 0.85 0.00 -0.13 0.00 0.00 32.58 33.00 3iuu s HIS 16 CO 0.38 -0.35 1.61 0.43 -2.47 0.00 0.00 174.74 174.34 3iuu n SER 17 N 5.33 0.44 -0.40 9.88 7.64 -0.45 -3.04 113.62 133.01 3iuu n SER 17 Ca -0.05 0.62 0.04 0.00 1.01 0.00 0.00 58.87 60.48 3iuu n SER 17 Cb 0.50 -0.71 0.09 0.00 -1.01 0.00 0.00 64.21 63.08 3iuu n SER 17 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3iuu n PHE 18 N -1.99 0.24 -3.09 1.43 3.72 -1.26 -4.90 117.46 111.60 3iuu n PHE 18 Ca 0.02 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 3iuu n PHE 18 Cb 0.19 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 3iuu n PHE 18 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3iuu s ASN 19 N -0.91 6.41 0.00 4.37 3.84 -1.17 -4.92 114.94 122.56 3iuu s ASN 19 Ca 0.14 0.05 0.22 0.00 0.21 0.00 0.00 52.86 53.48 3iuu s ASN 19 Cb 0.08 -2.33 1.30 0.00 -0.55 0.00 0.00 41.25 39.75 3iuu s ASN 19 CO 0.10 -0.66 1.69 -0.81 -2.79 0.00 0.00 177.10 174.64 3iuu n PRO 20 N 6.15 0.67 -3.24 0.43 -0.04 -1.26 -4.50 135.00 133.21 3iuu n PRO 20 Ca -0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 3iuu n PRO 20 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 3iuu n PRO 20 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3iuu s ILE 21 N -2.02 5.00 0.36 0.52 1.01 -1.26 -5.04 121.20 119.76 3iuu s ILE 21 Ca 0.33 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 3iuu s ILE 21 Cb 0.15 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3iuu s ILE 21 CO 0.26 -0.42 1.36 -0.76 0.00 0.00 0.00 174.94 175.38 3iuu s LEU 22 N 2.39 4.36 0.15 2.97 1.43 -1.26 -2.50 118.68 126.21 3iuu s LEU 22 Ca 0.16 2.80 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 3iuu s LEU 22 Cb -0.16 -3.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 3iuu s LEU 22 CO 0.15 -0.70 1.16 -0.89 0.23 0.00 0.00 176.35 176.30 3iuu s THR 23 N -1.15 3.81 0.41 5.49 2.01 -0.17 -4.84 115.64 121.20 3iuu s THR 23 Ca 0.51 1.48 0.07 0.00 0.31 0.00 0.00 61.69 64.07 3iuu s THR 23 Cb -0.42 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 3iuu s THR 23 CO 0.56 0.21 0.18 -0.13 -0.69 0.00 0.00 174.62 174.75 3iuu s ARG 24 N 0.04 2.24 0.25 4.92 1.81 -1.26 -1.24 118.95 125.71 3iuu s ARG 24 Ca 0.53 -1.82 -0.04 0.00 -1.72 0.00 0.00 55.73 52.69 3iuu s ARG 24 Cb -0.30 -2.00 0.42 0.00 -0.45 0.00 0.00 34.95 32.61 3iuu s ARG 24 CO 0.34 -0.10 1.80 1.49 -0.68 0.00 0.00 175.30 178.15 3iuu h GLU 25 N 1.43 0.72 -0.90 3.54 4.81 -1.96 -1.15 114.58 121.07 3iuu h GLU 25 Ca -0.43 -0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.00 3iuu h GLU 25 Cb 1.25 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 3iuu h GLU 25 CO 0.69 0.47 0.62 0.87 -0.73 0.00 0.00 179.01 180.94 3iuu h LYS 26 N 0.74 0.16 0.00 1.92 1.57 -2.02 -2.15 116.57 116.78 3iuu h LYS 26 Ca 0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3iuu h LYS 26 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3iuu h LYS 26 CO -0.27 0.11 0.00 -0.25 -0.57 0.00 0.00 179.45 178.46 3iuu n ASP 27 N -4.38 0.67 -4.85 0.86 8.00 -0.43 -4.83 116.55 111.59 3iuu n ASP 27 Ca 0.19 0.61 -0.36 0.00 0.71 0.00 0.00 54.79 55.94 3iuu n ASP 27 Cb 0.86 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3iuu n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iuu s PHE 28 N -3.18 3.63 -0.27 1.24 0.08 -0.81 -4.30 117.98 114.36 3iuu s PHE 28 Ca 0.08 0.99 -0.11 0.00 0.12 0.00 0.00 56.93 58.01 3iuu s PHE 28 Cb 0.11 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3iuu s PHE 28 CO 0.49 0.49 0.17 -1.17 -0.10 0.00 0.00 175.22 175.11 3iuu s LEU 29 N -1.78 3.99 -0.10 -0.37 0.20 0.36 -4.96 118.68 116.02 3iuu s LEU 29 Ca 0.34 -0.00 -0.03 0.00 0.69 0.00 0.00 54.13 55.13 3iuu s LEU 29 Cb -0.15 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 3iuu s LEU 29 CO 0.18 -0.03 0.01 -0.36 -0.29 0.00 0.00 176.35 175.86 3iuu s PHE 30 N 1.62 3.16 0.07 5.38 0.08 -1.26 -1.87 117.98 125.17 3iuu s PHE 30 Ca 0.07 0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.31 3iuu s PHE 30 Cb -0.15 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 3iuu s PHE 30 CO 0.09 0.39 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.92 3iuu s LEU 31 N -0.62 2.26 0.16 -0.37 1.43 -0.23 -4.99 118.68 116.32 3iuu s LEU 31 Ca 0.10 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3iuu s LEU 31 Cb -0.12 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 3iuu s LEU 31 CO 0.02 -0.00 -0.07 -0.13 0.23 0.00 0.00 176.35 176.40 3iuu s ARG 32 N -1.66 1.08 3.86 1.70 0.52 -1.26 -1.45 118.95 121.74 3iuu s ARG 32 Ca 0.02 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 3iuu s ARG 32 Cb -0.10 -0.52 0.00 0.00 0.52 0.00 0.00 34.95 34.86 3iuu s ARG 32 CO 0.03 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.76 3iuu n GLY 33 N -0.22 1.05 0.38 -3.53 0.00 -1.25 -2.89 105.19 98.73 3iuu n GLY 33 Ca -0.09 -0.60 0.19 0.00 0.00 0.00 0.00 46.02 45.52 3iuu n GLY 33 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iuu h GLU 34 N 0.00 0.13 -0.49 1.61 4.57 -1.95 -0.36 114.58 118.09 3iuu h GLU 34 Ca 0.00 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 3iuu h GLU 34 Cb 0.00 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3iuu h GLU 34 CO 0.00 0.09 0.34 0.00 -1.18 0.00 0.00 179.01 178.25 3iuu h ALA 35 N 1.70 2.21 -0.62 2.92 0.00 -1.94 0.35 119.26 123.88 3iuu h ALA 35 Ca 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3iuu h ALA 35 Cb 0.99 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3iuu h ALA 35 CO -0.04 -0.33 0.37 0.28 0.00 0.00 0.00 179.25 179.53 3iuu h VAL 36 N 0.18 1.18 0.00 0.00 2.07 -1.12 -1.61 116.25 116.97 3iuu h VAL 36 Ca 0.23 -0.40 -0.23 0.00 0.82 0.00 0.00 66.70 67.11 3iuu h VAL 36 Cb 0.66 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3iuu h VAL 36 CO -0.04 0.19 -0.92 -0.07 0.02 0.00 0.00 177.57 176.75 3iuu h LEU 37 N 0.84 0.80 -0.35 2.57 3.38 -1.23 -2.06 115.31 119.25 3iuu h LEU 37 Ca 0.22 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.50 3iuu h LEU 37 Cb -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3iuu h LEU 37 CO -0.04 1.44 0.03 -0.33 0.09 0.00 0.00 178.44 179.63 3iuu h GLU 38 N 0.24 0.13 -0.34 1.13 5.08 -0.91 -1.48 114.58 118.43 3iuu h GLU 38 Ca -0.12 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3iuu h GLU 38 Cb 1.59 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 3iuu h GLU 38 CO 0.18 0.08 0.16 1.49 -1.00 0.00 0.00 179.01 179.93 3iuu h GLU 39 N 0.13 0.33 -0.32 2.33 4.57 -1.34 -2.61 114.58 117.67 3iuu h GLU 39 Ca 0.17 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 3iuu h GLU 39 Cb 0.22 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 3iuu h GLU 39 CO -0.27 0.22 -0.02 0.00 -1.18 0.00 0.00 179.01 177.76 3iuu h ALA 40 N 1.18 0.27 0.00 2.92 0.00 -1.03 -2.30 119.26 120.30 3iuu h ALA 40 Ca 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3iuu h ALA 40 Cb 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iuu h ALA 40 CO -0.10 -0.42 -0.21 0.00 0.00 0.00 0.00 179.25 178.52 3iuu h ARG 41 N 0.07 0.00 -0.45 0.00 3.08 -1.09 -2.56 114.38 113.43 3iuu h ARG 41 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iuu h ARG 41 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3iuu h ARG 41 CO -0.28 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.83 3iuu n ALA 42 N -2.40 2.43 -3.65 0.04 0.00 -0.91 -4.95 120.51 111.07 3iuu n ALA 42 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 3iuu n ALA 42 Cb 0.29 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3iuu n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iuu n SER 43 N 0.87 0.69 -2.12 0.00 3.41 -0.95 -5.05 113.62 110.47 3iuu n SER 43 Ca 0.16 -1.62 -0.02 0.00 -0.26 0.00 0.00 58.87 57.13 3iuu n SER 43 Cb 0.40 0.34 0.05 0.00 -0.26 0.00 0.00 64.21 64.75 3iuu n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3iuu n SER 44 N -2.10 1.96 -4.14 4.04 7.64 -1.26 -4.82 113.62 114.93 3iuu n SER 44 Ca -0.01 -2.47 -0.24 0.00 1.01 0.00 0.00 58.87 57.17 3iuu n SER 44 Cb 0.17 -0.41 0.14 0.00 -1.01 0.00 0.00 64.21 63.10 3iuu n SER 44 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3iuu n THR 45 N -0.36 0.00 -0.23 0.44 -2.24 -1.26 -3.74 114.28 106.89 3iuu n THR 45 Ca 0.14 -1.25 -0.07 0.00 -2.27 0.00 0.00 64.05 60.60 3iuu n THR 45 Cb 0.91 -1.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3iuu n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iuu h ALA 46 N -1.06 0.84 -0.82 6.98 0.00 -1.85 -1.99 119.26 121.36 3iuu h ALA 46 Ca -0.34 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.55 3iuu h ALA 46 Cb 1.12 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3iuu h ALA 46 CO 0.31 0.40 0.43 1.25 0.00 0.00 0.00 179.25 181.64 3iuu h LEU 47 N 0.90 0.55 -0.57 0.00 5.85 -1.91 0.66 115.31 120.80 3iuu h LEU 47 Ca 0.22 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3iuu h LEU 47 Cb 0.12 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3iuu h LEU 47 CO -0.03 0.28 0.32 0.28 -0.34 0.00 0.00 178.44 178.94 3iuu h SER 48 N 0.67 0.48 -0.54 1.25 0.02 -1.58 0.51 113.55 114.35 3iuu h SER 48 Ca 0.42 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 3iuu h SER 48 Cb 0.52 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3iuu h SER 48 CO -0.31 0.33 0.34 1.23 -1.14 0.00 0.00 176.83 177.27 3iuu h GLY 49 N 0.61 0.76 0.81 -3.77 0.00 -0.46 0.55 103.07 101.58 3iuu h GLY 49 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3iuu h GLY 49 CO -0.15 0.23 -0.25 -2.22 0.00 0.00 0.00 176.54 174.15 3iuu h ILE 50 N 0.68 0.42 -0.29 2.60 2.04 -0.07 -2.15 117.51 120.75 3iuu h ILE 50 Ca 0.21 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3iuu h ILE 50 Cb -0.01 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3iuu h ILE 50 CO -0.08 0.04 0.17 0.58 0.00 0.00 0.00 178.15 178.87 3iuu h VAL 51 N -0.90 1.04 -0.60 1.67 2.07 -0.90 0.15 116.25 118.78 3iuu h VAL 51 Ca -0.07 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3iuu h VAL 51 Cb 0.61 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3iuu h VAL 51 CO 0.12 0.06 0.18 0.11 0.02 0.00 0.00 177.57 178.07 3iuu h LYS 52 N 0.36 0.94 -0.03 1.57 1.57 -0.92 -1.67 116.57 118.39 3iuu h LYS 52 Ca 0.11 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3iuu h LYS 52 Cb -0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3iuu h LYS 52 CO -0.05 0.84 -0.01 1.15 -0.57 0.00 0.00 179.45 180.81 3iuu h THR 53 N 0.86 1.30 -0.53 -0.16 2.02 -1.26 -0.34 112.91 114.79 3iuu h THR 53 Ca 0.19 -0.91 0.10 0.00 0.77 0.00 0.00 66.41 66.57 3iuu h THR 53 Cb 0.29 1.85 -0.08 0.00 -1.74 0.00 0.00 68.15 68.47 3iuu h THR 53 CO -0.01 0.24 0.07 0.00 0.37 0.00 0.00 175.52 176.20 3iuu h ALA 54 N 0.64 0.58 -0.09 6.16 0.00 -0.58 -0.37 119.26 125.60 3iuu h ALA 54 Ca 0.01 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3iuu h ALA 54 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iuu h ALA 54 CO 0.00 -0.34 -0.60 0.93 0.00 0.00 0.00 179.25 179.24 3iuu h GLU 55 N 0.20 0.30 0.00 0.00 5.08 -1.24 -1.91 114.58 117.01 3iuu h GLU 55 Ca 0.27 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3iuu h GLU 55 Cb 0.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3iuu h GLU 55 CO -0.39 0.81 -0.28 0.00 -1.00 0.00 0.00 179.01 178.15 3iuu h ALA 56 N 1.14 1.25 -0.00 3.43 0.00 -0.40 -2.37 119.26 122.31 3iuu h ALA 56 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iuu h ALA 56 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3iuu h ALA 56 CO 0.10 0.35 -0.14 1.28 0.00 0.00 0.00 179.25 180.84 3iuu n LEU 57 N -3.79 0.26 0.00 0.00 4.77 -0.21 -4.93 117.00 113.10 3iuu n LEU 57 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3iuu n LEU 57 Cb 0.38 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3iuu n LEU 57 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3iuu n GLY 58 N 1.40 0.34 3.80 -0.72 0.00 -0.89 -5.08 105.19 104.04 3iuu n GLY 58 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3iuu n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iuu s TYR 59 N -2.00 3.02 0.05 1.61 1.51 -0.78 -4.74 117.35 116.03 3iuu s TYR 59 Ca 0.00 1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 57.41 3iuu s TYR 59 Cb 0.00 -3.03 -0.06 0.00 -0.11 0.00 0.00 41.96 38.75 3iuu s TYR 59 CO 0.00 -0.87 0.60 0.50 -1.11 0.00 0.00 175.55 174.67 3iuu s ARG 60 N -3.50 4.28 -0.13 -0.62 3.52 0.17 -4.13 118.95 118.54 3iuu s ARG 60 Ca 0.66 0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 56.95 3iuu s ARG 60 Cb -0.16 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3iuu s ARG 60 CO 0.25 0.53 0.17 0.00 -0.81 0.00 0.00 175.30 175.43 3iuu s VAL 62 N -0.59 1.95 0.39 0.00 1.01 0.47 -4.89 120.40 118.74 3iuu s VAL 62 Ca 0.14 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 3iuu s VAL 62 Cb -0.12 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 3iuu s VAL 62 CO 0.03 0.53 0.91 -2.16 0.00 0.00 0.00 175.10 174.42 3iuu s PRO 63 N 0.59 4.25 0.00 2.72 0.04 -1.26 -1.47 135.00 139.87 3iuu s PRO 63 Ca -0.13 1.08 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3iuu s PRO 63 Cb -0.17 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3iuu s PRO 63 CO 0.04 0.06 0.00 -1.13 0.04 0.00 0.00 177.00 176.01 3iuu n SER 64 N -0.38 0.00 -4.08 6.66 3.41 -0.39 -4.82 113.62 114.03 3iuu n SER 64 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 3iuu n SER 64 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3iuu n SER 64 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3iuu s ILE 65 N 0.67 0.01 -0.01 -1.33 -4.36 -1.26 -3.77 121.20 111.14 3iuu s ILE 65 Ca 0.00 -1.65 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 3iuu s ILE 65 Cb 0.00 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 3iuu s ILE 65 CO 0.00 -0.04 -0.20 -0.94 0.24 0.00 0.00 174.94 174.01 3iuu s SER 66 N -3.07 2.32 -0.09 4.36 1.04 -0.53 -1.69 113.70 116.04 3iuu s SER 66 Ca 0.29 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 3iuu s SER 66 Cb 0.03 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.94 3iuu s SER 66 CO 0.09 0.23 0.08 0.00 0.98 0.00 0.00 173.24 174.63 3iuu s ALA 67 N -0.49 0.24 -0.08 5.32 0.00 -0.37 -1.07 121.76 125.31 3iuu s ALA 67 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3iuu s ALA 67 Cb -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.29 3iuu s ALA 67 CO -0.01 -0.71 -0.10 1.03 0.00 0.00 0.00 175.76 175.97 3iuu s ARG 68 N 2.17 1.59 -0.01 0.00 0.52 -0.78 -0.55 118.95 121.89 3iuu s ARG 68 Ca 0.04 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3iuu s ARG 68 Cb -0.13 -1.44 -0.00 0.00 0.52 0.00 0.00 34.95 33.90 3iuu s ARG 68 CO -0.05 -0.09 0.04 0.00 0.02 0.00 0.00 175.30 175.23 3iuu s ALA 69 N 1.05 -0.10 0.80 2.13 0.00 -0.19 -0.49 121.76 124.97 3iuu s ALA 69 Ca -0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 3iuu s ALA 69 Cb -0.15 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.03 3iuu s ALA 69 CO -0.01 -0.08 1.10 2.89 0.00 0.00 0.00 175.76 179.66 3iuu n ARG 70 N 2.50 0.23 -1.70 0.00 0.00 -1.26 -4.08 116.66 112.35 3iuu n ARG 70 Ca -0.16 0.15 -0.40 0.00 -0.00 0.00 0.00 57.85 57.43 3iuu n ARG 70 Cb 0.58 -2.35 0.02 0.00 -0.00 0.00 0.00 32.46 30.71 3iuu n ARG 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3iuu n PRO 71 N -2.84 1.82 -1.30 2.89 -0.02 -1.26 -4.65 135.00 129.64 3iuu n PRO 71 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3iuu n PRO 71 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3iuu n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iuu n GLY 72 N 0.83 -0.70 3.50 -1.23 0.00 -0.37 -4.53 105.19 102.69 3iuu n GLY 72 Ca 0.08 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3iuu n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iuu s GLY 73 N 0.00 1.52 0.48 -0.02 0.00 -1.04 -1.41 107.32 106.85 3iuu s GLY 73 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.97 3iuu s GLY 73 CO 0.00 0.29 1.29 0.00 0.00 0.00 0.00 173.10 174.68 3iuu n ALA 74 N -4.92 1.37 -2.13 3.20 0.00 -1.26 -3.32 120.51 113.46 3iuu n ALA 74 Ca 0.07 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 3iuu n ALA 74 Cb 0.57 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 3iuu n ALA 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iuu s ILE 75 N -1.25 3.45 -0.20 0.00 1.01 0.10 -1.00 121.20 123.32 3iuu s ILE 75 Ca 0.65 0.90 -0.26 0.00 0.00 0.00 0.00 60.65 61.94 3iuu s ILE 75 Cb -0.47 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.31 3iuu s ILE 75 CO 0.55 0.01 0.83 1.21 0.00 0.00 0.00 174.94 177.53 3iuu n GLU 76 N 5.21 0.00 -0.32 2.79 2.13 -0.37 -0.95 120.64 129.13 3iuu n GLU 76 Ca 0.14 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 3iuu n GLU 76 Cb 0.42 -0.87 0.08 0.00 0.27 0.00 0.00 31.44 31.35 3iuu n GLU 76 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3iuu h GLN 77 N 2.52 1.23 -0.80 5.31 5.75 -1.92 -1.07 115.11 126.14 3iuu h GLN 77 Ca -0.27 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 3iuu h GLN 77 Cb 0.80 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3iuu h GLN 77 CO 0.51 0.92 0.46 -0.22 -2.65 0.00 0.00 178.83 177.84 3iuu h LYS 78 N 1.22 1.10 -0.35 1.69 1.63 -1.99 0.16 116.57 120.04 3iuu h LYS 78 Ca 0.30 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 3iuu h LYS 78 Cb 0.07 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3iuu h LYS 78 CO -0.04 0.80 0.05 0.28 -3.45 0.00 0.00 179.45 177.09 3iuu h VAL 79 N 1.10 1.24 -0.44 2.00 2.07 -1.59 -0.61 116.25 120.03 3iuu h VAL 79 Ca 0.28 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3iuu h VAL 79 Cb 0.00 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3iuu h VAL 79 CO -0.05 0.28 0.23 0.15 0.02 0.00 0.00 177.57 178.20 3iuu h PHE 80 N 0.42 0.61 -0.95 1.57 3.57 -0.88 -1.60 116.94 119.69 3iuu h PHE 80 Ca 0.11 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.71 3iuu h PHE 80 Cb 0.36 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 3iuu h PHE 80 CO 0.02 0.48 0.60 -0.44 -2.23 0.00 0.00 178.31 176.75 3iuu h ASP 81 N 0.57 0.81 -0.22 0.41 3.32 -0.46 -1.80 116.42 119.03 3iuu h ASP 81 Ca 0.15 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 3iuu h ASP 81 Cb 0.08 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3iuu h ASP 81 CO -0.02 0.42 -0.38 0.78 -1.72 0.00 0.00 179.24 178.32 3iuu h ASN 82 N 0.86 0.81 0.11 6.45 2.35 -0.50 -2.06 115.58 123.59 3iuu h ASN 82 Ca 0.47 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3iuu h ASN 82 Cb 0.58 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3iuu h ASN 82 CO -0.24 1.09 -0.08 0.40 -1.65 0.00 0.00 177.43 176.95 3iuu h ILE 83 N 0.63 0.82 -0.55 2.81 2.04 -0.88 -1.70 117.51 120.68 3iuu h ILE 83 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3iuu h ILE 83 Cb 0.93 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3iuu h ILE 83 CO 0.08 0.00 0.33 0.58 0.00 0.00 0.00 178.15 179.14 3iuu h VAL 84 N -0.20 1.06 -0.79 1.67 2.07 -1.28 -1.83 116.25 116.95 3iuu h VAL 84 Ca -0.00 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3iuu h VAL 84 Cb 0.18 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 3iuu h VAL 84 CO -0.00 0.12 0.46 0.44 0.02 0.00 0.00 177.57 178.61 3iuu h ASP 85 N 0.65 0.70 -0.85 0.57 3.32 -1.29 0.50 116.42 120.03 3iuu h ASP 85 Ca 0.22 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3iuu h ASP 85 Cb 0.03 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3iuu h ASP 85 CO -0.10 0.44 0.40 -0.33 -1.72 0.00 0.00 179.24 177.93 3iuu h GLU 86 N 0.83 1.22 -0.28 3.56 5.08 -0.53 -0.39 114.58 124.07 3iuu h GLU 86 Ca 0.36 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3iuu h GLU 86 Cb 0.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iuu h GLU 86 CO -0.20 0.94 0.19 0.74 -1.00 0.00 0.00 179.01 179.68 3iuu h PHE 87 N 1.21 0.36 -0.51 4.33 0.04 -0.53 -2.10 116.94 119.74 3iuu h PHE 87 Ca 0.29 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 3iuu h PHE 87 Cb 0.13 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3iuu h PHE 87 CO 0.02 0.23 0.25 0.28 -0.60 0.00 0.00 178.31 178.48 3iuu h VAL 88 N 0.38 1.19 -0.33 -0.55 2.07 -0.49 -0.77 116.25 117.75 3iuu h VAL 88 Ca 0.10 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3iuu h VAL 88 Cb -0.04 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3iuu h VAL 88 CO -0.02 0.22 0.21 1.56 0.02 0.00 0.00 177.57 179.55 3iuu h GLN 89 N 0.68 0.45 -0.98 1.57 1.08 -1.06 -0.87 115.11 115.97 3iuu h GLN 89 Ca 0.17 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 3iuu h GLN 89 Cb 0.12 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.39 3iuu h GLN 89 CO -0.02 0.33 0.64 0.00 -0.95 0.00 0.00 178.83 178.83 3iuu h ALA 90 N 1.09 1.39 -0.23 3.87 0.00 -1.12 -1.95 119.26 122.30 3iuu h ALA 90 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3iuu h ALA 90 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3iuu h ALA 90 CO -0.02 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.74 3iuu h ALA 91 N 1.44 1.59 0.00 0.00 0.00 -0.02 -2.38 119.26 119.89 3iuu h ALA 91 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iuu h ALA 91 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iuu h ALA 91 CO -0.14 0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.96 3iuu n ARG 92 N -4.36 0.81 0.00 0.00 1.74 -0.44 -4.91 116.66 109.50 3iuu n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3iuu n ARG 92 Cb 0.19 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3iuu n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iuu n GLN 94 N -0.24 0.00 -4.14 5.56 1.13 -0.90 -5.12 117.38 113.67 3iuu n GLN 94 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 3iuu n GLN 94 Cb 0.09 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.33 3iuu n GLN 94 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iuu s ASP 95 N 0.00 5.30 0.07 1.08 1.01 -1.26 -5.09 116.67 117.78 3iuu s ASP 95 Ca 0.00 -0.01 -0.26 0.00 0.71 0.00 0.00 52.55 52.99 3iuu s ASP 95 Cb 0.00 -1.90 0.08 0.00 1.01 0.00 0.00 42.92 42.12 3iuu s ASP 95 CO 0.00 0.17 0.70 0.72 0.21 0.00 0.00 175.17 176.97 3iuu s PHE 96 N 0.41 -0.50 -0.67 4.23 -0.12 -1.26 -4.85 117.98 115.21 3iuu s PHE 96 Ca 0.00 0.43 0.12 0.00 -0.05 0.00 0.00 56.93 57.44 3iuu s PHE 96 Cb -0.13 0.53 -0.11 0.00 -0.63 0.00 0.00 43.02 42.68 3iuu s PHE 96 CO 0.01 -0.72 0.55 -0.25 -0.05 0.00 0.00 175.22 174.77 3iuu n ASP 97 N -0.10 0.71 -3.69 1.98 8.00 0.93 -4.93 116.55 119.45 3iuu n ASP 97 Ca -0.15 -0.85 -0.05 0.00 0.71 0.00 0.00 54.79 54.45 3iuu n ASP 97 Cb 0.63 0.91 -0.02 0.00 -0.02 0.00 0.00 41.12 42.62 3iuu n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuu s ALA 98 N -2.06 -1.69 -0.05 2.24 0.00 -1.22 -4.88 121.76 114.11 3iuu s ALA 98 Ca 0.06 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3iuu s ALA 98 Cb 0.09 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3iuu s ALA 98 CO 0.47 -0.95 -0.13 0.42 0.00 0.00 0.00 175.76 175.57 3iuu s ILE 99 N -3.26 1.12 -0.10 0.00 1.01 -1.26 -1.30 121.20 117.40 3iuu s ILE 99 Ca 0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3iuu s ILE 99 Cb -0.01 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.49 3iuu s ILE 99 CO -0.01 0.34 0.02 0.00 0.00 0.00 0.00 174.94 175.29 3iuu s LEU 101 N 1.97 2.31 -0.41 0.00 1.43 -0.59 -3.80 118.68 119.59 3iuu s LEU 101 Ca 0.04 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3iuu s LEU 101 Cb -0.13 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.21 3iuu s LEU 101 CO -0.06 0.08 0.24 -0.62 0.23 0.00 0.00 176.35 176.22 3iuu s ASP 102 N -2.00 5.54 0.21 2.29 2.15 -0.59 -0.77 116.67 123.51 3iuu s ASP 102 Ca 0.09 -1.56 0.10 0.00 0.43 0.00 0.00 52.55 51.61 3iuu s ASP 102 Cb -0.10 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.53 3iuu s ASP 102 CO 0.05 -0.52 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.59 3iuu s LEU 103 N 1.38 2.52 -0.04 -1.34 1.43 -0.75 -1.05 118.68 120.83 3iuu s LEU 103 Ca 0.03 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 3iuu s LEU 103 Cb -0.23 -0.90 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 3iuu s LEU 103 CO 0.01 -0.04 0.65 -0.74 0.23 0.00 0.00 176.35 176.47 3iuu h HIS 104 N 2.74 -0.49 0.00 0.29 -0.00 -1.61 -3.32 115.15 112.75 3iuu h HIS 104 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 3iuu h HIS 104 Cb 1.23 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 3iuu h HIS 104 CO 0.73 -0.29 0.00 0.41 -0.00 0.00 0.00 177.93 178.79 3iuu n GLY 105 N 0.39 1.96 0.90 5.26 0.00 -1.26 -1.24 105.19 111.19 3iuu n GLY 105 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3iuu n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuu n ALA 106 N -0.44 3.29 -1.77 4.61 0.00 -1.26 -1.24 120.51 123.70 3iuu n ALA 106 Ca 0.00 -3.03 -0.40 0.00 0.00 0.00 0.00 53.44 50.01 3iuu n ALA 106 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3iuu n ALA 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iuu s THR 107 N -2.29 2.76 -0.02 0.00 2.01 -1.03 -0.67 115.64 116.39 3iuu s THR 107 Ca 0.37 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3iuu s THR 107 Cb 0.38 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3iuu s THR 107 CO -0.10 0.14 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.74 3iuu s LEU 108 N -2.10 1.51 0.34 4.42 2.96 -1.26 -4.06 118.68 120.49 3iuu s LEU 108 Ca 0.53 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 54.51 3iuu s LEU 108 Cb -0.38 -0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.10 3iuu s LEU 108 CO 0.49 -0.05 -0.06 0.00 -1.32 0.00 0.00 176.35 175.41 3iuu s ALA 109 N 0.57 3.03 0.37 5.97 0.00 -0.68 0.03 121.76 131.05 3iuu s ALA 109 Ca -0.05 -2.04 0.06 0.00 0.00 0.00 0.00 51.96 49.93 3iuu s ALA 109 Cb -0.08 -0.17 0.76 0.00 0.00 0.00 0.00 23.12 23.64 3iuu s ALA 109 CO -0.01 0.08 1.96 1.49 0.00 0.00 0.00 175.76 179.29 3iuu h GLU 110 N 1.96 0.70 0.00 0.00 4.81 -1.30 -3.24 114.58 117.51 3iuu h GLU 110 Ca -0.42 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 3iuu h GLU 110 Cb 1.25 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3iuu h GLU 110 CO 0.69 0.47 -1.54 1.58 -0.73 0.00 0.00 179.01 179.47 3iuu n HIS 111 N -4.48 0.00 -2.84 0.92 -0.00 -1.26 -4.96 115.22 102.59 3iuu n HIS 111 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.40 3iuu n HIS 111 Cb 0.23 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 29.81 3iuu n HIS 111 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3iuu s THR 112 N -2.19 4.68 -0.09 3.57 2.01 -1.22 -4.93 115.64 117.46 3iuu s THR 112 Ca -0.11 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.20 3iuu s THR 112 Cb 0.03 -4.25 -0.25 0.00 0.01 0.00 0.00 72.50 68.04 3iuu s THR 112 CO 0.24 -0.37 0.48 0.18 -0.69 0.00 0.00 174.62 174.46 3iuu n LEU 113 N 6.49 1.90 -4.16 4.42 4.77 -1.26 -1.69 117.00 127.46 3iuu n LEU 113 Ca 0.06 0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.94 3iuu n LEU 113 Cb 0.48 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3iuu n LEU 113 CO 0.54 0.66 0.28 -0.62 -1.33 0.00 0.00 177.39 176.93 3iuu s ASP 114 N -6.63 5.95 0.13 -1.43 2.15 -1.26 -4.84 116.67 110.73 3iuu s ASP 114 Ca -0.15 -3.21 -0.11 0.00 0.43 0.00 0.00 52.55 49.51 3iuu s ASP 114 Cb 0.07 -1.97 -0.07 0.00 -0.30 0.00 0.00 42.92 40.65 3iuu s ASP 114 CO 0.79 -0.33 1.41 0.71 -0.17 0.00 0.00 175.17 177.58 3iuu h THR 115 N 4.61 1.28 -0.32 1.71 1.35 -1.77 -2.32 112.91 117.45 3iuu h THR 115 Ca 0.09 -1.76 -0.13 0.00 -0.55 0.00 0.00 66.41 64.06 3iuu h THR 115 Cb 0.91 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 3iuu h THR 115 CO 0.79 0.57 -0.30 -0.33 -0.25 0.00 0.00 175.52 176.01 3iuu h GLU 116 N 0.64 0.76 -0.34 4.72 3.07 -1.90 0.06 114.58 121.58 3iuu h GLU 116 Ca 0.01 -0.39 0.05 0.00 -0.50 0.00 0.00 59.36 58.52 3iuu h GLU 116 Cb 1.18 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 3iuu h GLU 116 CO 0.12 1.02 0.07 0.78 -1.40 0.00 0.00 179.01 179.60 3iuu h GLY 117 N 0.52 0.39 1.00 -3.84 0.00 -1.92 -0.75 103.07 98.48 3iuu h GLY 117 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3iuu h GLY 117 CO 0.07 -0.02 0.34 -1.82 0.00 0.00 0.00 176.54 175.12 3iuu h TYR 118 N 0.18 0.68 -0.29 5.60 3.20 -1.09 -2.32 116.97 122.93 3iuu h TYR 118 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3iuu h TYR 118 Cb 0.18 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3iuu h TYR 118 CO -0.18 0.44 0.18 1.25 -1.64 0.00 0.00 178.16 178.20 3iuu h LEU 119 N 0.72 0.35 -0.51 2.82 5.85 -0.67 -1.45 115.31 122.42 3iuu h LEU 119 Ca 0.19 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3iuu h LEU 119 Cb -0.06 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3iuu h LEU 119 CO -0.04 0.29 0.25 -0.07 -0.34 0.00 0.00 178.44 178.53 3iuu h LEU 120 N 0.38 0.36 -0.25 2.25 3.38 -0.91 -1.07 115.31 119.44 3iuu h LEU 120 Ca 0.10 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3iuu h LEU 120 Cb 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3iuu h LEU 120 CO -0.02 0.25 0.11 0.28 0.09 0.00 0.00 178.44 179.14 3iuu h SER 121 N 0.49 0.14 -0.99 -0.43 0.02 -1.09 0.27 113.55 111.96 3iuu h SER 121 Ca 0.22 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3iuu h SER 121 Cb 0.14 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3iuu h SER 121 CO -0.16 0.12 0.66 0.03 -1.14 0.00 0.00 176.83 176.33 3iuu h ARG 122 N 0.24 1.31 -0.52 3.45 2.47 -1.02 0.85 114.38 121.15 3iuu h ARG 122 Ca 0.11 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3iuu h ARG 122 Cb 0.05 -0.30 -0.02 0.00 -1.65 0.00 0.00 29.97 28.06 3iuu h ARG 122 CO -0.09 0.87 0.15 -0.07 0.56 0.00 0.00 179.97 181.38 3iuu h LEU 123 N 1.35 0.78 -1.18 3.04 3.38 -0.74 -3.04 115.31 118.91 3iuu h LEU 123 Ca 0.36 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3iuu h LEU 123 Cb -0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3iuu h LEU 123 CO -0.08 0.79 -0.39 0.03 0.09 0.00 0.00 178.44 178.88 3iuu h ARG 124 N 0.72 0.04 -1.01 1.13 3.08 -0.05 0.22 114.38 118.52 3iuu h ARG 124 Ca 0.17 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.42 3iuu h ARG 124 Cb 0.30 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 3iuu h ARG 124 CO -0.00 0.43 0.61 0.93 -1.07 0.00 0.00 179.97 180.87 3iuu h GLU 125 N 0.03 0.61 0.05 0.04 5.08 -0.74 -0.11 114.58 119.54 3iuu h GLU 125 Ca 0.00 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 3iuu h GLU 125 Cb 0.71 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3iuu h GLU 125 CO 0.05 0.41 -1.96 0.28 -1.00 0.00 0.00 179.01 176.79 3iuu n VAL 126 N -4.79 1.65 0.74 3.13 0.31 -0.72 -4.58 118.33 114.06 3iuu n VAL 126 Ca 0.25 -0.73 0.09 0.00 -0.01 0.00 0.00 64.34 63.94 3iuu n VAL 126 Cb 0.69 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 32.22 3iuu n VAL 126 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3iuu n VAL 127 N -3.21 0.00 -1.34 2.52 0.24 0.69 -4.97 118.33 112.26 3iuu n VAL 127 Ca -0.27 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3iuu n VAL 127 Cb 1.06 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 3iuu n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iuu n GLY 128 N 1.44 -2.46 0.51 7.63 0.00 -0.07 -4.55 105.19 107.69 3iuu n GLY 128 Ca 0.02 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.43 3iuu n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iuu n ASN 129 N -0.05 2.66 -0.08 1.61 3.02 -1.26 -4.49 115.26 116.67 3iuu n ASN 129 Ca 0.00 -1.94 -0.23 0.00 -0.03 0.00 0.00 54.58 52.39 3iuu n ASN 129 Cb 0.00 -0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 38.88 3iuu n ASN 129 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iuu n ASP 130 N 0.35 1.99 0.00 6.41 8.00 -1.26 -5.12 116.55 126.91 3iuu n ASP 130 Ca 0.09 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3iuu n ASP 130 Cb 0.38 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3iuu n ASP 130 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3iuu n ILE 131 N -3.87 0.00 -3.40 0.53 -5.35 -1.26 -5.10 119.36 100.91 3iuu n ILE 131 Ca -0.39 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.11 3iuu n ILE 131 Cb 0.90 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.75 3iuu n ILE 131 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3iuu s ILE 133 N 0.00 -0.14 -0.08 7.28 1.01 -1.26 -4.93 121.20 123.09 3iuu s ILE 133 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 3iuu s ILE 133 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3iuu s ILE 133 CO 0.00 0.00 -0.18 -0.55 0.00 0.00 0.00 174.94 174.21 3iuu s SER 134 N 1.81 3.66 -0.02 3.58 0.15 -0.25 -0.83 113.70 121.80 3iuu s SER 134 Ca -0.03 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.32 3iuu s SER 134 Cb -0.03 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 3iuu s SER 134 CO -0.15 0.26 -0.19 -0.76 1.20 0.00 0.00 173.24 173.60 3iuu s LEU 135 N -0.21 2.47 -0.20 3.45 1.43 -0.46 -1.54 118.68 123.62 3iuu s LEU 135 Ca -0.01 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 3iuu s LEU 135 Cb -0.13 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 3iuu s LEU 135 CO 0.03 0.32 0.11 0.00 0.23 0.00 0.00 176.35 177.04 3iuu s ALA 136 N -0.73 3.59 0.12 4.21 0.00 0.05 -1.83 121.76 127.17 3iuu s ALA 136 Ca 0.12 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.43 3iuu s ALA 136 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3iuu s ALA 136 CO 0.01 0.15 -0.17 -0.51 0.00 0.00 0.00 175.76 175.24 3iuu s LEU 137 N 0.40 2.37 0.36 0.00 1.43 -0.01 -1.81 118.68 121.41 3iuu s LEU 137 Ca 0.06 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 3iuu s LEU 137 Cb -0.12 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.31 3iuu s LEU 137 CO -0.01 -0.05 1.15 -0.62 0.23 0.00 0.00 176.35 177.05 3iuu s ASP 138 N -2.26 6.78 0.05 2.29 -1.08 -0.37 -1.48 116.67 120.60 3iuu s ASP 138 Ca 0.08 2.33 0.20 0.00 -0.52 0.00 0.00 52.55 54.64 3iuu s ASP 138 Cb -0.07 -2.62 0.82 0.00 -1.46 0.00 0.00 42.92 39.59 3iuu s ASP 138 CO 0.04 -0.49 1.62 0.00 0.52 0.00 0.00 175.17 176.86 3iuu n LEU 139 N 0.45 0.15 -0.03 -1.34 -0.00 -1.26 -1.65 117.00 113.31 3iuu n LEU 139 Ca 0.02 0.53 0.09 0.00 -0.00 0.00 0.00 56.01 56.65 3iuu n LEU 139 Cb 0.46 -0.50 0.51 0.00 -0.00 0.00 0.00 43.42 43.89 3iuu n LEU 139 CO 0.52 -0.24 0.83 1.41 -0.00 0.00 0.00 177.39 179.91 3iuu n HIS 140 N -1.66 0.01 -1.59 1.47 8.25 -1.26 -1.21 115.22 119.23 3iuu n HIS 140 Ca 0.04 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3iuu n HIS 140 Cb 0.23 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.35 3iuu n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iuu n ALA 141 N -0.71 -0.06 -2.83 -1.41 0.00 -0.66 -1.90 120.51 112.94 3iuu n ALA 141 Ca 0.13 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 3iuu n ALA 141 Cb 0.08 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 3iuu n ALA 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3iuu s TYR 142 N -1.31 2.80 -0.30 0.00 5.04 -0.38 -4.32 117.35 118.89 3iuu s TYR 142 Ca 0.64 -0.87 -0.19 0.00 -2.44 0.00 0.00 57.07 54.21 3iuu s TYR 142 Cb -0.56 -4.35 -0.02 0.00 0.35 0.00 0.00 41.96 37.38 3iuu s TYR 142 CO 0.56 -1.65 0.56 -1.17 -1.34 0.00 0.00 175.55 172.52 3iuu s LEU 143 N 3.74 4.15 0.22 6.97 1.98 -1.26 -4.79 118.68 129.68 3iuu s LEU 143 Ca 0.29 0.37 0.08 0.00 -2.89 0.00 0.00 54.13 51.98 3iuu s LEU 143 Cb -0.10 -2.70 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 3iuu s LEU 143 CO 0.01 -0.40 0.04 0.42 -1.89 0.00 0.00 176.35 174.53 3iuu s THR 144 N 2.44 3.79 0.39 3.68 -4.23 -1.26 -5.00 115.64 115.45 3iuu s THR 144 Ca 0.22 -1.56 0.12 0.00 -1.18 0.00 0.00 61.69 59.28 3iuu s THR 144 Cb -0.15 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.05 3iuu s THR 144 CO 0.11 -0.24 1.91 -0.65 -0.54 0.00 0.00 174.62 175.21 3iuu h PRO 145 N 2.23 0.56 -1.22 3.99 0.11 -1.97 -2.45 132.00 133.24 3iuu h PRO 145 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iuu h PRO 145 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iuu h PRO 145 CO 0.59 0.37 0.00 0.94 -0.21 0.00 0.00 178.00 179.69 3iuu n GLN 146 N -4.51 0.17 0.00 1.05 7.27 -1.26 -0.82 117.38 119.28 3iuu n GLN 146 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3iuu n GLN 146 Cb 0.46 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.82 3iuu n GLN 146 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3iuu n VAL 148 N 0.73 0.00 -0.02 1.69 0.31 -0.92 0.37 118.33 120.49 3iuu n VAL 148 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3iuu n VAL 148 Cb 0.07 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.92 3iuu n VAL 148 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3iuu h GLU 149 N 0.00 0.67 0.00 5.55 4.81 -1.26 -3.34 114.58 121.00 3iuu h GLU 149 Ca 0.00 -0.56 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 3iuu h GLU 149 Cb 0.00 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3iuu h GLU 149 CO 0.00 1.18 -0.66 1.96 -0.73 0.00 0.00 179.01 180.76 3iuu h GLN 150 N 0.34 0.00 -6.35 1.92 1.08 -0.33 -3.45 115.11 108.31 3iuu h GLN 150 Ca -0.05 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.60 3iuu h GLN 150 Cb 1.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.72 3iuu h GLN 150 CO 0.14 0.14 -0.12 0.00 -0.95 0.00 0.00 178.83 178.03 3iuu s ALA 151 N -3.17 3.59 0.07 3.87 0.00 -1.25 -4.87 121.76 119.99 3iuu s ALA 151 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 3iuu s ALA 151 Cb 0.08 -2.44 -0.13 0.00 0.00 0.00 0.00 23.12 20.62 3iuu s ALA 151 CO 0.75 0.50 1.33 1.15 0.00 0.00 0.00 175.76 179.49 3iuu h THR 152 N 2.38 1.34 -2.22 0.00 2.02 -1.29 -3.46 112.91 111.68 3iuu h THR 152 Ca -0.48 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.07 3iuu h THR 152 Cb 1.18 1.87 -0.20 0.00 -1.74 0.00 0.00 68.15 69.26 3iuu h THR 152 CO 0.68 0.48 0.08 -0.51 0.37 0.00 0.00 175.52 176.62 3iuu s ILE 153 N -4.09 0.01 -0.01 3.11 2.07 -1.05 -4.53 121.20 116.70 3iuu s ILE 153 Ca -0.13 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 3iuu s ILE 153 Cb 0.07 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.75 3iuu s ILE 153 CO 0.81 -0.05 -0.02 -0.63 -1.91 0.00 0.00 174.94 173.15 3iuu s ILE 154 N -0.94 0.21 -0.01 2.00 1.01 -1.26 -1.36 121.20 120.85 3iuu s ILE 154 Ca -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 3iuu s ILE 154 Cb -0.02 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 3iuu s ILE 154 CO 0.07 0.10 0.02 0.28 0.00 0.00 0.00 174.94 175.41 3iuu s THR 155 N 0.35 0.01 0.41 2.92 -1.32 -0.76 -4.82 115.64 112.43 3iuu s THR 155 Ca -0.03 -0.11 0.07 0.00 -1.21 0.00 0.00 61.69 60.41 3iuu s THR 155 Cb -0.06 -0.07 -0.06 0.00 -1.51 0.00 0.00 72.50 70.80 3iuu s THR 155 CO -0.01 -0.06 0.14 -0.94 -2.21 0.00 0.00 174.62 171.54 3iuu s SER 156 N -0.17 4.32 0.78 8.08 1.04 -1.26 -0.83 113.70 125.67 3iuu s SER 156 Ca -0.02 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 3iuu s SER 156 Cb -0.01 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.66 3iuu s SER 156 CO -0.00 -0.51 0.92 0.49 0.98 0.00 0.00 173.24 175.12 3iuu n PHE 157 N -1.17 0.41 -0.05 5.02 3.72 -0.55 -4.91 117.46 119.92 3iuu n PHE 157 Ca -0.02 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 3iuu n PHE 157 Cb 0.65 -2.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.16 3iuu n PHE 157 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3iuu n ARG 158 N -2.20 1.18 -4.32 -1.08 1.74 -1.26 -4.53 116.66 106.18 3iuu n ARG 158 Ca 0.12 -1.02 -0.19 0.00 -0.77 0.00 0.00 57.85 55.99 3iuu n ARG 158 Cb 0.50 -0.97 -0.14 0.00 -1.02 0.00 0.00 32.46 30.83 3iuu n ARG 158 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3iuu s THR 159 N -0.53 0.88 -0.07 0.55 -4.23 -1.26 -4.92 115.64 106.06 3iuu s THR 159 Ca 0.00 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3iuu s THR 159 Cb 0.00 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 73.08 3iuu s THR 159 CO 0.00 0.03 0.04 -0.89 -0.54 0.00 0.00 174.62 173.26 3iuu s THR 160 N -0.67 0.06 0.79 3.99 2.01 -1.26 -3.34 115.64 117.22 3iuu s THR 160 Ca 0.01 0.25 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 3iuu s THR 160 Cb -0.06 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.18 3iuu s THR 160 CO 0.00 0.15 1.21 -2.16 -0.69 0.00 0.00 174.62 173.14 3iuu s PRO 161 N 2.10 1.74 -0.65 4.92 0.04 -1.26 -1.21 135.00 140.68 3iuu s PRO 161 Ca 0.05 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 3iuu s PRO 161 Cb -0.13 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.64 3iuu s PRO 161 CO -0.04 -2.14 1.42 -1.01 0.04 0.00 0.00 177.00 175.26 3iuu s HIS 162 N -2.08 2.20 -0.90 0.56 3.76 -1.21 -4.76 115.29 112.86 3iuu s HIS 162 Ca 0.74 0.30 0.08 0.00 -0.15 0.00 0.00 55.06 56.03 3iuu s HIS 162 Cb -0.29 -4.45 0.04 0.00 1.11 0.00 0.00 32.58 28.99 3iuu s HIS 162 CO 0.49 -2.05 0.69 0.00 -0.85 0.00 0.00 174.74 173.02 3iuu n ALA 163 N 9.94 2.55 -1.77 -1.40 0.00 -1.26 -4.71 120.51 123.85 3iuu n ALA 163 Ca 0.09 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 3iuu n ALA 163 Cb 0.50 -0.27 0.07 0.00 0.00 0.00 0.00 19.45 19.75 3iuu n ALA 163 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iuu n ASP 164 N 0.22 4.83 0.18 0.00 5.75 -1.26 -4.80 116.55 121.46 3iuu n ASP 164 Ca 0.04 -3.78 -0.14 0.00 -0.01 0.00 0.00 54.79 50.91 3iuu n ASP 164 Cb 0.19 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.68 3iuu n ASP 164 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3iuu h ILE 165 N 1.69 0.67 -0.58 2.12 2.04 -1.88 -1.02 117.51 120.55 3iuu h ILE 165 Ca 0.37 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3iuu h ILE 165 Cb 1.38 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3iuu h ILE 165 CO 0.81 0.09 0.29 -0.08 0.00 0.00 0.00 178.15 179.26 3iuu h GLU 166 N -0.71 0.82 -0.08 2.37 4.81 -1.71 -1.91 114.58 118.16 3iuu h GLU 166 Ca -0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3iuu h GLU 166 Cb 0.49 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3iuu h GLU 166 CO 0.08 0.65 0.00 0.93 -0.73 0.00 0.00 179.01 179.94 3iuu h GLU 167 N 0.78 0.11 -0.52 1.92 3.07 -1.87 -1.29 114.58 116.79 3iuu h GLU 167 Ca 0.20 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3iuu h GLU 167 Cb 0.09 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3iuu h GLU 167 CO -0.03 0.12 -0.05 1.15 -1.40 0.00 0.00 179.01 178.80 3iuu h THR 168 N 0.11 1.27 -0.38 1.13 2.02 -0.36 -1.23 112.91 115.46 3iuu h THR 168 Ca 0.03 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.08 3iuu h THR 168 Cb 0.08 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3iuu h THR 168 CO 0.00 0.41 0.12 1.23 0.37 0.00 0.00 175.52 177.65 3iuu h GLY 169 N 0.82 0.47 0.46 2.16 0.00 -1.18 0.13 103.07 105.94 3iuu h GLY 169 Ca 0.14 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.46 3iuu h GLY 169 CO 0.04 0.01 -0.06 -2.08 0.00 0.00 0.00 176.54 174.44 3iuu h VAL 170 N 0.26 0.73 -0.67 4.60 2.07 -1.14 -2.67 116.25 119.44 3iuu h VAL 170 Ca 0.18 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 3iuu h VAL 170 Cb 0.17 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3iuu h VAL 170 CO -0.19 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.49 3iuu h ARG 171 N 0.00 1.04 0.00 1.57 2.43 -0.91 0.93 114.38 119.45 3iuu h ARG 171 Ca 0.13 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3iuu h ARG 171 Cb 0.20 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3iuu h ARG 171 CO -0.28 0.91 0.00 0.00 -1.51 0.00 0.00 179.97 179.09 3iuu n ALA 172 N -2.45 1.00 0.00 2.80 0.00 0.00 -0.34 120.51 121.51 3iuu n ALA 172 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3iuu n ALA 172 Cb 0.24 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3iuu n ALA 172 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3iuu n THR 174 N 0.04 0.00 -0.11 0.00 -1.04 0.32 -1.94 114.28 111.55 3iuu n THR 174 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3iuu n THR 174 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3iuu n THR 174 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3iuu h LEU 175 N 0.00 0.46 -0.07 -4.42 3.38 -0.93 -1.32 115.31 112.40 3iuu h LEU 175 Ca 0.00 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3iuu h LEU 175 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3iuu h LEU 175 CO 0.00 0.50 -0.07 0.25 0.09 0.00 0.00 178.44 179.20 3iuu h LEU 176 N 0.39 -0.23 -0.90 1.67 5.85 -1.62 -2.06 115.31 118.42 3iuu h LEU 176 Ca 0.11 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3iuu h LEU 176 Cb 0.18 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3iuu h LEU 176 CO -0.01 -0.10 0.55 -0.78 -0.34 0.00 0.00 178.44 177.76 3iuu h ASP 177 N -0.09 0.83 0.25 1.25 3.58 -1.83 -2.06 116.42 118.34 3iuu h ASP 177 Ca 0.05 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3iuu h ASP 177 Cb 0.17 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3iuu h ASP 177 CO -0.13 0.50 -0.09 0.77 -2.88 0.00 0.00 179.24 177.41 3iuu h SER 178 N 0.95 0.00 0.25 2.28 4.64 -0.55 -2.46 113.55 118.65 3iuu h SER 178 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3iuu h SER 178 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3iuu h SER 178 CO -0.22 0.09 -0.17 0.18 -0.87 0.00 0.00 176.83 175.84 3iuu n LEU 179 N -3.76 0.87 -0.33 5.97 4.77 -0.78 -4.56 117.00 119.18 3iuu n LEU 179 Ca -0.02 -0.19 0.28 0.00 -0.03 0.00 0.00 56.01 56.04 3iuu n LEU 179 Cb 0.19 -0.13 0.53 0.00 -2.33 0.00 0.00 43.42 41.68 3iuu n LEU 179 CO 0.30 0.16 1.07 0.28 -1.33 0.00 0.00 177.39 177.87 3iuu h SER 180 N 1.09 0.37 -0.48 -1.43 0.02 -1.38 -1.40 113.55 110.34 3iuu h SER 180 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3iuu h SER 180 Cb 0.45 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3iuu h SER 180 CO 0.00 -0.31 0.00 0.59 -1.14 0.00 0.00 176.83 175.97 3iuu n ASN 181 N -5.18 4.76 -4.76 3.07 3.02 -1.26 -4.98 115.26 109.92 3iuu n ASN 181 Ca 0.35 -2.80 -0.39 0.00 -0.03 0.00 0.00 54.58 51.71 3iuu n ASN 181 Cb 1.13 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 3iuu n ASN 181 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iuu s GLU 182 N -2.47 4.31 0.00 3.52 0.41 -0.53 -4.95 118.70 118.99 3iuu s GLU 182 Ca 0.48 0.68 0.27 0.00 -0.41 0.00 0.00 54.97 55.99 3iuu s GLU 182 Cb 0.35 -3.36 1.38 0.00 -1.78 0.00 0.00 34.13 30.73 3iuu s GLU 182 CO 0.16 0.33 1.92 0.25 -0.49 0.00 0.00 175.26 177.42 3iuu n THR 183 N 2.92 0.12 -3.71 3.63 -2.24 -1.26 -4.83 114.28 108.91 3iuu n THR 183 Ca -0.07 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 3iuu n THR 183 Cb 0.51 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 3iuu n THR 183 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iuu s ARG 184 N -2.53 0.91 0.66 -0.78 0.52 -1.26 -5.17 118.95 111.31 3iuu s ARG 184 Ca 0.27 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 3iuu s ARG 184 Cb 0.18 0.40 -0.00 0.00 0.52 0.00 0.00 34.95 36.05 3iuu s ARG 184 CO 0.40 -0.32 1.08 -1.25 0.02 0.00 0.00 175.30 175.23 3iuu s PRO 185 N -2.96 2.92 0.55 3.54 0.04 -1.26 -4.99 135.00 132.85 3iuu s PRO 185 Ca -0.02 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 3iuu s PRO 185 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3iuu s PRO 185 CO -0.06 -1.13 1.11 -1.25 0.04 0.00 0.00 177.00 175.71 3iuu s PRO 186 N -4.42 3.33 0.25 0.56 0.04 -1.26 -4.98 135.00 128.52 3iuu s PRO 186 Ca 0.63 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3iuu s PRO 186 Cb -0.17 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3iuu s PRO 186 CO 0.45 -0.85 1.16 0.50 0.04 0.00 0.00 177.00 178.31 3iuu s ARG 187 N -3.44 4.55 -0.07 4.56 3.52 -0.45 -4.78 118.95 122.84 3iuu s ARG 187 Ca 0.71 1.89 0.04 0.00 -0.13 0.00 0.00 55.73 58.24 3iuu s ARG 187 Cb -0.22 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3iuu s ARG 187 CO 0.29 0.05 -0.19 0.00 -0.81 0.00 0.00 175.30 174.63 3iuu s ALA 188 N -0.75 2.40 -0.23 6.12 0.00 0.18 -2.09 121.76 127.39 3iuu s ALA 188 Ca 0.48 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 3iuu s ALA 188 Cb -0.33 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3iuu s ALA 188 CO 0.41 0.43 -0.07 0.42 0.00 0.00 0.00 175.76 176.95 3iuu s ILE 189 N -0.24 2.96 -0.10 0.00 -1.09 0.16 -0.26 121.20 122.64 3iuu s ILE 189 Ca -0.00 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 3iuu s ILE 189 Cb -0.13 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3iuu s ILE 189 CO 0.03 0.30 -0.00 -0.47 -1.23 0.00 0.00 174.94 173.57 3iuu s TYR 190 N 1.37 3.14 -0.04 3.97 6.14 -0.20 -1.37 117.35 130.37 3iuu s TYR 190 Ca 0.03 0.12 -0.02 0.00 0.64 0.00 0.00 57.07 57.83 3iuu s TYR 190 Cb -0.15 -1.82 0.03 0.00 0.42 0.00 0.00 41.96 40.43 3iuu s TYR 190 CO -0.05 0.38 0.06 0.45 0.64 0.00 0.00 175.55 177.02 3iuu s SER 191 N -0.64 1.08 -0.25 4.32 0.15 -0.65 -0.75 113.70 116.96 3iuu s SER 191 Ca 0.10 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.71 3iuu s SER 191 Cb -0.12 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.99 3iuu s SER 191 CO 0.02 -0.24 0.18 -0.22 1.20 0.00 0.00 173.24 174.18 3iuu s LEU 192 N 2.08 4.09 -0.33 3.45 2.96 -1.26 -1.32 118.68 128.36 3iuu s LEU 192 Ca 0.04 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3iuu s LEU 192 Cb -0.12 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.48 3iuu s LEU 192 CO -0.03 0.03 0.09 -0.63 -1.32 0.00 0.00 176.35 174.49 3iuu s ILE 193 N 1.23 3.69 -1.53 6.68 1.09 0.88 -4.93 121.20 128.32 3iuu s ILE 193 Ca 0.08 -1.11 -0.11 0.00 -1.10 0.00 0.00 60.65 58.41 3iuu s ILE 193 Cb -0.14 -3.07 -0.02 0.00 -1.06 0.00 0.00 42.46 38.18 3iuu s ILE 193 CO 0.06 -0.13 2.61 -0.81 -0.10 0.00 0.00 174.94 176.57 3iuu n PRO 194 N 4.79 3.47 -3.94 2.79 -0.04 -1.26 -0.61 135.00 140.20 3iuu n PRO 194 Ca -0.13 -2.50 -0.08 0.00 -0.04 0.00 0.00 63.50 60.75 3iuu n PRO 194 Cb 0.45 -2.97 -0.08 0.00 -0.04 0.00 0.00 33.50 30.86 3iuu n PRO 194 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3iuu s PHE 195 N 2.20 0.27 0.08 0.54 -0.12 -1.26 -0.29 117.98 119.39 3iuu s PHE 195 Ca 0.59 -0.71 0.05 0.00 -0.05 0.00 0.00 56.93 56.81 3iuu s PHE 195 Cb 0.16 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3iuu s PHE 195 CO -0.07 -0.47 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.10 3iuu s LEU 196 N -2.78 3.36 0.36 -1.99 1.43 -0.79 -3.14 118.68 115.15 3iuu s LEU 196 Ca 0.04 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3iuu s LEU 196 Cb 0.05 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 3iuu s LEU 196 CO -0.10 0.19 0.81 0.42 0.23 0.00 0.00 176.35 177.90 3iuu s THR 197 N -1.25 4.60 -0.35 5.49 -4.23 -1.26 -4.76 115.64 113.88 3iuu s THR 197 Ca 0.24 1.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.97 3iuu s THR 197 Cb -0.12 -3.62 0.45 0.00 1.34 0.00 0.00 72.50 70.56 3iuu s THR 197 CO 0.16 -0.26 1.06 0.54 -0.54 0.00 0.00 174.62 175.58 3iuu n ARG 198 N -0.53 2.31 0.00 3.99 1.74 0.19 -4.92 116.66 119.44 3iuu n ARG 198 Ca 0.05 -3.83 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 3iuu n ARG 198 Cb 0.53 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3iuu n ARG 198 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iuu n GLY 199 N -0.36 -1.71 4.35 -0.13 0.00 -1.19 -3.85 105.19 102.30 3iuu n GLY 199 Ca 0.23 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 3iuu n GLY 199 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iuu n ASN 200 N 0.00 -1.19 -0.38 1.61 5.15 -1.26 -3.67 115.26 115.52 3iuu n ASN 200 Ca 0.00 -1.18 0.07 0.00 -0.60 0.00 0.00 54.58 52.87 3iuu n ASN 200 Cb 0.00 -2.01 0.16 0.00 -0.53 0.00 0.00 39.78 37.40 3iuu n ASN 200 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3iuu n ASP 201 N -2.68 2.83 -4.82 1.20 5.75 -1.26 -4.41 116.55 113.16 3iuu n ASP 201 Ca -0.06 -2.76 -0.33 0.00 -0.01 0.00 0.00 54.79 51.62 3iuu n ASP 201 Cb 0.56 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3iuu n ASP 201 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3iuu s GLU 202 N -2.34 4.17 0.00 0.11 2.02 -1.26 -4.79 118.70 116.61 3iuu s GLU 202 Ca 0.29 1.08 0.25 0.00 0.02 0.00 0.00 54.97 56.61 3iuu s GLU 202 Cb 0.23 -2.17 0.46 0.00 0.10 0.00 0.00 34.13 32.76 3iuu s GLU 202 CO 0.06 -0.08 1.39 0.25 0.02 0.00 0.00 175.26 176.89 3iuu n THR 203 N -0.83 0.00 0.04 3.63 -2.24 -0.35 -4.13 114.28 110.40 3iuu n THR 203 Ca 0.07 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3iuu n THR 203 Cb 0.54 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.95 3iuu n THR 203 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3iuu h TRP 204 N 0.05 0.05 -3.76 4.78 5.08 -1.93 -3.29 115.95 116.93 3iuu h TRP 204 Ca 0.00 -0.04 -0.09 0.00 1.08 0.00 0.00 58.89 59.85 3iuu h TRP 204 Cb 0.50 -0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.53 3iuu h TRP 204 CO 0.00 1.04 -0.30 -1.54 -1.28 0.00 0.00 178.44 176.36 3iuu s SER 205 N -6.57 0.03 0.00 0.11 1.04 -1.26 -4.82 113.70 102.23 3iuu s SER 205 Ca -0.01 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.73 3iuu s SER 205 Cb 0.09 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3iuu s SER 205 CO 0.83 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3iuu n GLY 206 N -0.15 -1.67 0.22 7.32 0.00 -1.26 -4.53 105.19 105.11 3iuu n GLY 206 Ca -0.12 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 43.91 3iuu n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iuu h PRO 207 N 0.55 0.00 0.00 1.61 0.13 -1.86 -2.16 132.00 130.27 3iuu h PRO 207 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3iuu h PRO 207 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3iuu h PRO 207 CO 0.00 0.25 0.00 -0.07 -0.23 0.00 0.00 178.00 177.95 3iuu h LEU 208 N 0.00 0.00 -0.13 1.56 3.38 -1.84 -2.72 115.31 115.56 3iuu h LEU 208 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3iuu h LEU 208 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3iuu h LEU 208 CO 0.03 0.00 0.03 0.00 0.09 0.00 0.00 178.44 178.59 3iuu h ALA 209 N 2.04 0.17 -0.37 1.53 0.00 -1.46 0.67 119.26 121.85 3iuu h ALA 209 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3iuu h ALA 209 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iuu h ALA 209 CO 0.00 -0.19 0.20 0.93 0.00 0.00 0.00 179.25 180.19 3iuu h GLU 210 N 0.01 0.52 -0.40 0.00 4.39 -1.68 -1.50 114.58 115.92 3iuu h GLU 210 Ca 0.04 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 3iuu h GLU 210 Cb 0.26 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3iuu h GLU 210 CO 0.00 0.43 -0.18 0.82 -1.16 0.00 0.00 179.01 178.92 3iuu h ILE 211 N 0.47 1.28 -0.41 3.13 2.04 -1.35 -0.91 117.51 121.76 3iuu h ILE 211 Ca 0.13 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 3iuu h ILE 211 Cb 0.06 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3iuu h ILE 211 CO -0.02 0.44 0.09 1.23 0.00 0.00 0.00 178.15 179.89 3iuu h GLY 212 N 0.65 0.65 0.87 5.37 0.00 0.37 0.41 103.07 111.38 3iuu h GLY 212 Ca 0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3iuu h GLY 212 CO 0.06 0.33 0.01 0.00 0.00 0.00 0.00 176.54 176.93 3iuu h ALA 213 N 1.52 0.36 -0.56 3.60 0.00 -0.63 -1.46 119.26 122.09 3iuu h ALA 213 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iuu h ALA 213 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3iuu h ALA 213 CO -0.00 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.66 3iuu h ALA 214 N 0.83 0.73 -0.70 0.00 0.00 -0.79 -2.15 119.26 117.18 3iuu h ALA 214 Ca 0.08 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3iuu h ALA 214 Cb 0.40 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3iuu h ALA 214 CO 0.01 0.03 0.41 0.00 0.00 0.00 0.00 179.25 179.71 3iuu h ALA 215 N 1.26 0.93 -0.62 0.00 0.00 -0.73 -1.58 119.26 118.52 3iuu h ALA 215 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3iuu h ALA 215 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3iuu h ALA 215 CO -0.12 0.13 0.32 -0.44 0.00 0.00 0.00 179.25 179.15 3iuu h ASP 216 N 0.78 0.79 -0.67 0.00 3.32 -0.94 -1.29 116.42 118.41 3iuu h ASP 216 Ca 0.30 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3iuu h ASP 216 Cb 0.13 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3iuu h ASP 216 CO -0.15 0.68 0.14 -0.09 -1.72 0.00 0.00 179.24 178.09 3iuu h ARG 217 N 0.85 1.10 -0.38 3.56 2.43 -0.82 -1.66 114.38 119.47 3iuu h ARG 217 Ca 0.22 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3iuu h ARG 217 Cb 0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3iuu h ARG 217 CO -0.03 0.99 0.22 -1.49 -1.51 0.00 0.00 179.97 178.15 3iuu h TRP 218 N 1.04 0.42 0.00 2.20 4.06 -1.01 -2.83 115.95 119.83 3iuu h TRP 218 Ca 0.21 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3iuu h TRP 218 Cb 0.40 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3iuu h TRP 218 CO 0.03 0.25 0.00 0.00 -3.56 0.00 0.00 178.44 175.16 3iuu h ARG 219 N 0.46 0.00 0.00 0.49 3.08 -0.92 -2.27 114.38 115.21 3iuu h ARG 219 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iuu h ARG 219 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iuu h ARG 219 CO -0.07 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.83 3iuu n ALA 220 N -1.89 2.29 -1.77 0.04 0.00 -0.65 -4.83 120.51 113.70 3iuu n ALA 220 Ca 0.01 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3iuu n ALA 220 Cb 0.24 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 3iuu n ALA 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iuu s ARG 221 N -3.08 4.02 0.26 0.00 0.52 -0.86 -4.92 118.95 114.88 3iuu s ARG 221 Ca 0.11 1.74 0.22 0.00 -0.52 0.00 0.00 55.73 57.28 3iuu s ARG 221 Cb 0.14 -2.58 0.99 0.00 0.52 0.00 0.00 34.95 34.01 3iuu s ARG 221 CO 0.58 -0.32 1.68 -1.13 0.02 0.00 0.00 175.30 176.12 3iuu n SER 222 N -0.08 0.60 -1.50 0.23 3.41 -1.26 -3.00 113.62 112.02 3iuu n SER 222 Ca 0.05 0.68 -0.02 0.00 -0.26 0.00 0.00 58.87 59.31 3iuu n SER 222 Cb 0.48 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 63.89 3iuu n SER 222 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3iuu n ASP 223 N -2.20 3.97 -4.00 4.04 5.68 -1.26 -4.84 116.55 117.94 3iuu n ASP 223 Ca 0.01 -3.32 -0.27 0.00 -0.50 0.00 0.00 54.79 50.72 3iuu n ASP 223 Cb 0.18 -0.67 -0.17 0.00 -1.14 0.00 0.00 41.12 39.33 3iuu n ASP 223 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3iuu s VAL 224 N -3.03 1.25 -0.07 2.12 1.01 -1.16 -1.68 120.40 118.84 3iuu s VAL 224 Ca 0.49 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 3iuu s VAL 224 Cb 0.41 -1.17 -0.27 0.00 0.00 0.00 0.00 36.38 35.34 3iuu s VAL 224 CO 0.09 0.39 0.91 0.58 0.00 0.00 0.00 175.10 177.07 3iuu h VAL 225 N 6.03 1.59 -2.08 2.92 2.07 -1.19 -3.46 116.25 122.14 3iuu h VAL 225 Ca -0.31 -2.30 0.22 0.00 0.82 0.00 0.00 66.70 65.13 3iuu h VAL 225 Cb 1.16 3.10 -0.09 0.00 -1.52 0.00 0.00 31.29 33.94 3iuu h VAL 225 CO 0.46 0.63 0.59 -0.62 0.02 0.00 0.00 177.57 178.66 3iuu s ASP 226 N -6.58 -0.13 0.00 0.57 2.15 -1.11 -5.01 116.67 106.56 3iuu s ASP 226 Ca -0.16 -0.34 -0.28 0.00 0.43 0.00 0.00 52.55 52.21 3iuu s ASP 226 Cb -0.00 0.39 0.08 0.00 -0.30 0.00 0.00 42.92 43.09 3iuu s ASP 226 CO 0.77 -0.72 0.73 -1.48 -0.17 0.00 0.00 175.17 174.29 3iuu s LEU 227 N -2.98 -0.55 0.04 -1.34 0.05 -1.26 -0.94 118.68 111.70 3iuu s LEU 227 Ca 0.13 0.37 -0.01 0.00 0.05 0.00 0.00 54.13 54.67 3iuu s LEU 227 Cb 0.00 2.39 -0.03 0.00 -2.05 0.00 0.00 46.19 46.51 3iuu s LEU 227 CO 0.01 -0.68 -0.02 -0.44 -0.55 0.00 0.00 176.35 174.67 3iuu s SER 228 N -1.80 0.36 -0.12 1.48 0.01 0.94 -4.84 113.70 109.73 3iuu s SER 228 Ca -0.04 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.47 3iuu s SER 228 Cb -0.00 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.41 3iuu s SER 228 CO -0.00 -0.48 -0.13 -0.63 0.41 0.00 0.00 173.24 172.41 3iuu s ILE 229 N -2.84 1.40 -0.28 1.44 1.01 -1.26 -0.61 121.20 120.06 3iuu s ILE 229 Ca -0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 3iuu s ILE 229 Cb 0.00 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 3iuu s ILE 229 CO -0.06 0.42 0.08 -0.36 0.00 0.00 0.00 174.94 175.03 3iuu s PHE 230 N 1.21 3.12 -1.10 3.97 0.08 0.43 -4.86 117.98 120.84 3iuu s PHE 230 Ca -0.02 -0.75 -0.15 0.00 0.12 0.00 0.00 56.93 56.13 3iuu s PHE 230 Cb -0.14 -2.26 0.17 0.00 -0.57 0.00 0.00 43.02 40.23 3iuu s PHE 230 CO -0.05 -0.49 1.27 -0.80 -0.10 0.00 0.00 175.22 175.06 3iuu s ASN 231 N 1.55 6.95 0.29 1.36 0.02 -0.35 -2.31 114.94 122.45 3iuu s ASN 231 Ca 0.04 -2.77 -0.28 0.00 -1.02 0.00 0.00 52.86 48.84 3iuu s ASN 231 Cb -0.16 -2.37 -0.14 0.00 0.02 0.00 0.00 41.25 38.60 3iuu s ASN 231 CO 0.03 -0.78 0.96 0.55 0.02 0.00 0.00 177.10 177.88 3iuu n VAL 232 N 4.63 2.01 -1.69 1.60 3.14 -1.26 -4.30 118.33 122.47 3iuu n VAL 232 Ca 0.30 -0.50 -0.51 0.00 -2.96 0.00 0.00 64.34 60.67 3iuu n VAL 232 Cb 0.44 -0.92 -0.05 0.00 -1.06 0.00 0.00 33.84 32.25 3iuu n VAL 232 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3iuu n HIS 233 N 0.12 2.23 0.34 1.45 -0.00 -0.80 -4.79 115.22 113.77 3iuu n HIS 233 Ca 0.10 0.18 0.03 0.00 0.46 0.00 0.00 57.72 58.49 3iuu n HIS 233 Cb 0.32 -2.59 0.15 0.00 -0.12 0.00 0.00 29.99 27.75 3iuu n HIS 233 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3iuu n PRO 234 N 6.04 2.43 -1.89 1.57 -0.04 -1.26 -3.94 135.00 137.91 3iuu n PRO 234 Ca 0.23 -1.19 -0.17 0.00 -0.04 0.00 0.00 63.50 62.34 3iuu n PRO 234 Cb 0.24 -1.75 0.05 0.00 -0.04 0.00 0.00 33.50 32.00 3iuu n PRO 234 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iuu n PHE 235 N 0.24 2.21 -4.73 0.54 3.72 -1.26 -4.97 117.46 113.20 3iuu n PHE 235 Ca 0.10 -2.09 -0.33 0.00 -0.05 0.00 0.00 57.45 55.09 3iuu n PHE 235 Cb 0.59 -0.32 -0.16 0.00 -0.94 0.00 0.00 39.48 38.66 3iuu n PHE 235 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iuu s LEU 236 N -3.51 2.41 -1.16 4.37 1.43 -1.25 -1.35 118.68 119.61 3iuu s LEU 236 Ca 0.47 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3iuu s LEU 236 Cb 0.40 -1.53 0.24 0.00 0.03 0.00 0.00 46.19 45.33 3iuu s LEU 236 CO 0.01 0.12 1.41 -0.67 0.23 0.00 0.00 176.35 177.45 3iuu n ASP 237 N 3.84 5.56 -4.09 2.29 2.03 -1.26 -4.86 116.55 120.06 3iuu n ASP 237 Ca -0.19 -3.11 -0.13 0.00 0.52 0.00 0.00 54.79 51.88 3iuu n ASP 237 Cb 0.52 -1.43 -0.11 0.00 -0.72 0.00 0.00 41.12 39.38 3iuu n ASP 237 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3iuu s VAL 238 N -0.54 0.62 0.65 5.18 -7.23 -1.26 -4.58 120.40 113.24 3iuu s VAL 238 Ca 0.36 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 3iuu s VAL 238 Cb -0.02 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 3iuu s VAL 238 CO -0.00 -0.48 1.05 -2.16 -0.31 0.00 0.00 175.10 173.19 3iuu s PRO 239 N -2.10 3.25 -0.98 4.82 0.04 -1.25 -3.53 135.00 135.25 3iuu s PRO 239 Ca -0.04 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 3iuu s PRO 239 Cb -0.07 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3iuu s PRO 239 CO -0.01 -0.76 0.82 0.41 0.04 0.00 0.00 177.00 177.50 3iuu n GLY 240 N -2.84 -0.21 3.72 0.56 0.00 -1.26 -4.99 105.19 100.17 3iuu n GLY 240 Ca 0.06 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3iuu n GLY 240 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iuu s TYR 241 N -3.29 3.32 -5.00 1.61 5.04 -1.26 -4.93 117.35 112.84 3iuu s TYR 241 Ca 0.05 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 3iuu s TYR 241 Cb -0.02 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.33 3iuu s TYR 241 CO 0.59 0.41 0.00 0.41 -1.34 0.00 0.00 175.55 175.62 3iuu n GLY 242 N 2.71 -0.17 3.77 8.97 0.00 -1.26 -4.48 105.19 114.74 3iuu n GLY 242 Ca -0.18 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3iuu n GLY 242 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iuu s GLN 243 N -2.00 4.34 -0.06 1.61 -1.52 0.22 -4.26 119.66 117.98 3iuu s GLN 243 Ca 0.00 1.70 0.05 0.00 -1.95 0.00 0.00 55.36 55.16 3iuu s GLN 243 Cb 0.00 -2.84 -0.00 0.00 -0.22 0.00 0.00 33.01 29.95 3iuu s GLN 243 CO 0.00 -0.04 -0.20 0.08 -0.25 0.00 0.00 175.29 174.88 3iuu s VAL 244 N -1.40 1.71 -0.17 1.09 1.01 -0.98 -0.08 120.40 121.58 3iuu s VAL 244 Ca 0.52 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3iuu s VAL 244 Cb -0.28 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3iuu s VAL 244 CO 0.36 0.48 -0.00 -0.69 0.00 0.00 0.00 175.10 175.25 3iuu s VAL 245 N 0.11 4.16 -0.12 2.92 1.01 -0.44 -0.43 120.40 127.61 3iuu s VAL 245 Ca -0.08 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3iuu s VAL 245 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3iuu s VAL 245 CO 0.04 0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 175.25 3iuu s LEU 246 N 0.51 1.68 0.04 3.92 2.96 0.22 -1.63 118.68 126.37 3iuu s LEU 246 Ca -0.01 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3iuu s LEU 246 Cb -0.14 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 3iuu s LEU 246 CO 0.02 -0.02 -0.17 0.00 -1.32 0.00 0.00 176.35 174.87 3iuu s ALA 247 N 1.20 1.42 -0.03 5.97 0.00 -0.47 -0.04 121.76 129.80 3iuu s ALA 247 Ca -0.02 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3iuu s ALA 247 Cb -0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 3iuu s ALA 247 CO -0.05 0.30 -0.15 0.71 0.00 0.00 0.00 175.76 176.57 3iuu s TYR 248 N -0.78 1.46 0.00 0.00 2.02 -0.11 -0.66 117.35 119.27 3iuu s TYR 248 Ca 0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3iuu s TYR 248 Cb -0.08 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 3iuu s TYR 248 CO 0.01 -0.12 0.00 -0.40 -1.57 0.00 0.00 175.55 173.47 3iuu n ASP 249 N 3.09 0.00 -0.48 2.29 5.68 -0.89 -0.63 116.55 125.62 3iuu n ASP 249 Ca -0.17 -0.81 0.04 0.00 -0.50 0.00 0.00 54.79 53.35 3iuu n ASP 249 Cb 0.54 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.62 3iuu n ASP 249 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3iuu n ASN 250 N -1.89 1.37 0.00 -1.12 6.94 -1.26 -1.34 115.26 117.96 3iuu n ASN 250 Ca 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3iuu n ASN 250 Cb 0.00 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 3iuu n ASN 250 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iuu n GLY 251 N 0.84 3.19 2.42 4.83 0.00 -1.26 -4.77 105.19 110.44 3iuu n GLY 251 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3iuu n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iuu n SER 252 N 0.00 0.94 0.00 1.61 3.41 -1.26 -4.70 113.62 113.62 3iuu n SER 252 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3iuu n SER 252 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3iuu n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iuu n GLY 253 N -0.43 3.11 1.50 5.00 0.00 -1.26 -5.03 105.19 108.07 3iuu n GLY 253 Ca 0.02 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.31 3iuu n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuu n ALA 254 N -3.00 2.95 -0.13 4.61 0.00 -0.67 -4.55 120.51 119.71 3iuu n ALA 254 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 53.44 52.01 3iuu n ALA 254 Cb 0.00 -1.01 0.33 0.00 0.00 0.00 0.00 19.45 18.77 3iuu n ALA 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuu h ALA 255 N 4.14 1.60 -0.02 0.00 0.00 -1.86 0.16 119.26 123.28 3iuu h ALA 255 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iuu h ALA 255 Cb 1.32 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iuu h ALA 255 CO 0.18 0.35 -0.04 0.82 0.00 0.00 0.00 179.25 180.57 3iuu h ILE 256 N 0.80 1.43 -0.51 0.00 2.04 -1.93 -1.62 117.51 117.73 3iuu h ILE 256 Ca 0.24 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.80 3iuu h ILE 256 Cb -0.02 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3iuu h ILE 256 CO -0.06 0.35 0.30 0.44 0.00 0.00 0.00 178.15 179.19 3iuu h ASP 257 N -0.46 0.50 -0.39 1.72 3.32 -1.73 0.22 116.42 119.61 3iuu h ASP 257 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3iuu h ASP 257 Cb 0.59 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3iuu h ASP 257 CO 0.01 0.35 0.22 0.00 -1.72 0.00 0.00 179.24 178.10 3iuu h ALA 258 N 1.22 0.49 -0.58 3.45 0.00 -0.75 0.23 119.26 123.32 3iuu h ALA 258 Ca 0.20 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3iuu h ALA 258 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iuu h ALA 258 CO -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 179.25 178.98 3iuu h ARG 260 N 0.95 -0.41 -0.29 0.00 2.43 -0.25 -0.59 114.38 116.21 3iuu h ARG 260 Ca 0.16 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3iuu h ARG 260 Cb 0.62 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3iuu h ARG 260 CO 0.04 -0.25 0.09 0.22 -1.51 0.00 0.00 179.97 178.56 3iuu h ASP 261 N -0.45 0.10 0.10 -3.80 3.58 -0.72 -0.88 116.42 114.34 3iuu h ASP 261 Ca -0.04 0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 3iuu h ASP 261 Cb 0.34 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3iuu h ASP 261 CO 0.07 0.09 -0.77 -0.07 -2.88 0.00 0.00 179.24 175.69 3iuu h LEU 262 N 0.22 0.67 -0.67 2.28 3.38 -1.32 -3.00 115.31 116.88 3iuu h LEU 262 Ca 0.13 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3iuu h LEU 262 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3iuu h LEU 262 CO -0.14 1.21 0.33 0.28 0.09 0.00 0.00 178.44 180.22 3iuu h SER 263 N 0.38 0.87 0.00 -0.43 0.02 -0.87 -0.71 113.55 112.82 3iuu h SER 263 Ca -0.04 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3iuu h SER 263 Cb 1.37 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3iuu h SER 263 CO 0.14 0.75 0.00 0.47 -1.14 0.00 0.00 176.83 177.06 3iuu n ASP 264 N -4.47 0.59 0.00 3.07 8.00 -0.36 -1.48 116.55 121.90 3iuu n ASP 264 Ca 0.05 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3iuu n ASP 264 Cb 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3iuu n ASP 264 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3iuu n LEU 266 N 0.77 0.00 0.06 0.64 4.77 -0.27 -1.16 117.00 121.80 3iuu n LEU 266 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3iuu n LEU 266 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3iuu n LEU 266 CO 0.00 0.00 0.74 -0.25 -1.33 0.00 0.00 177.39 176.55 3iuu h TRP 267 N 0.00 -0.10 -0.62 -1.77 2.91 -1.52 -2.23 115.95 112.62 3iuu h TRP 267 Ca 0.00 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.17 3iuu h TRP 267 Cb 0.00 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 3iuu h TRP 267 CO 0.00 0.12 0.43 -0.22 -1.03 0.00 0.00 178.44 177.74 3iuu h LYS 268 N -0.31 0.18 -0.31 2.65 3.64 -1.40 -1.73 116.57 119.29 3iuu h LYS 268 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3iuu h LYS 268 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3iuu h LYS 268 CO 0.02 0.12 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 3iuu n ALA 269 N -2.59 2.46 -0.27 5.00 0.00 -0.90 -4.63 120.51 119.57 3iuu n ALA 269 Ca 0.12 -0.79 0.07 0.00 0.00 0.00 0.00 53.44 52.84 3iuu n ALA 269 Cb 0.57 -0.97 0.30 0.00 0.00 0.00 0.00 19.45 19.35 3iuu n ALA 269 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3iuu h ARG 270 N 3.42 0.85 -0.00 0.00 0.11 -0.74 0.82 114.38 118.83 3iuu h ARG 270 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3iuu h ARG 270 Cb 0.75 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3iuu h ARG 270 CO 0.00 0.56 -0.17 -0.25 0.10 0.00 0.00 179.97 180.22 3iuu n ASP 271 N -4.52 0.42 0.21 0.08 8.00 -1.26 -3.64 116.55 115.84 3iuu n ASP 271 Ca 0.14 -0.33 0.15 0.00 0.71 0.00 0.00 54.79 55.46 3iuu n ASP 271 Cb 0.29 -0.08 0.56 0.00 -0.02 0.00 0.00 41.12 41.87 3iuu n ASP 271 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3iuu h GLU 272 N 0.39 0.00 -2.58 -1.24 5.08 -1.16 -3.34 114.58 111.74 3iuu h GLU 272 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3iuu h GLU 272 Cb 0.42 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 3iuu h GLU 272 CO 0.00 0.00 2.26 1.19 -1.00 0.00 0.00 179.01 181.46 3iuu n PHE 273 N -2.76 2.13 -4.13 4.33 3.72 -1.24 -4.77 117.46 114.75 3iuu n PHE 273 Ca 0.02 -2.64 -0.09 0.00 -0.05 0.00 0.00 57.45 54.69 3iuu n PHE 273 Cb 0.31 -1.94 -0.10 0.00 -0.94 0.00 0.00 39.48 36.81 3iuu n PHE 273 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iuu s GLN 274 N -0.04 0.71 0.06 -1.08 -0.21 -1.24 -0.64 119.66 117.23 3iuu s GLN 274 Ca 0.61 -1.26 -0.14 0.00 0.02 0.00 0.00 55.36 54.59 3iuu s GLN 274 Cb 0.23 -0.00 0.02 0.00 1.00 0.00 0.00 33.01 34.26 3iuu s GLN 274 CO -0.09 -0.06 0.32 -1.83 -2.12 0.00 0.00 175.29 171.51 3iuu s GLU 275 N -3.81 0.87 -0.48 2.91 -1.05 -1.25 -4.26 118.70 111.64 3iuu s GLU 275 Ca 0.09 -0.57 -0.07 0.00 -0.15 0.00 0.00 54.97 54.26 3iuu s GLU 275 Cb 0.06 0.38 0.12 0.00 -0.44 0.00 0.00 34.13 34.25 3iuu s GLU 275 CO -0.07 -0.29 0.33 -1.14 0.95 0.00 0.00 175.26 175.03 3iuu s GLN 276 N -2.91 2.39 0.00 -4.83 2.00 -1.26 -5.03 119.66 110.02 3iuu s GLN 276 Ca -0.02 -1.88 0.00 0.00 -2.00 0.00 0.00 55.36 51.45 3iuu s GLN 276 Cb 0.00 -3.83 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3iuu s GLN 276 CO -0.06 -1.16 0.00 1.28 -0.50 0.00 0.00 175.29 174.85 3iuu n LEU 277 N 4.64 0.00 -4.64 3.68 4.77 -1.26 -5.09 117.00 119.10 3iuu n LEU 277 Ca -0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 3iuu n LEU 277 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3iuu n LEU 277 CO 0.39 0.00 -0.34 -0.94 -1.33 0.00 0.00 177.39 175.17 3iuu s SER 279 N -1.21 4.57 0.25 -1.43 1.04 -1.26 -4.53 113.70 111.13 3iuu s SER 279 Ca 0.00 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 3iuu s SER 279 Cb 0.00 -0.87 0.29 0.00 0.10 0.00 0.00 66.02 65.54 3iuu s SER 279 CO 0.00 0.03 1.82 0.58 0.98 0.00 0.00 173.24 176.65 3iuu h VAL 280 N 2.12 1.24 -0.00 5.02 2.07 -1.94 -1.62 116.25 123.14 3iuu h VAL 280 Ca -0.45 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3iuu h VAL 280 Cb 1.23 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3iuu h VAL 280 CO 0.59 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.93 3iuu h ASP 281 N 1.01 0.00 -0.20 0.57 3.32 -1.99 -0.40 116.42 118.74 3iuu h ASP 281 Ca 0.23 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3iuu h ASP 281 Cb 0.21 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3iuu h ASP 281 CO -0.02 0.21 0.08 0.11 -1.72 0.00 0.00 179.24 177.90 3iuu h LYS 282 N -0.20 0.18 -0.65 3.56 1.79 -1.97 -1.80 116.57 117.48 3iuu h LYS 282 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3iuu h LYS 282 Cb 0.21 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 3iuu h LYS 282 CO -0.00 0.12 0.42 0.00 -1.08 0.00 0.00 179.45 178.91 3iuu h ALA 283 N 1.12 0.83 0.00 3.86 0.00 -1.22 -1.96 119.26 121.88 3iuu h ALA 283 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3iuu h ALA 283 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iuu h ALA 283 CO -0.08 0.27 -0.24 -0.07 0.00 0.00 0.00 179.25 179.14 3iuu h LEU 284 N 0.89 0.00 -0.40 0.00 3.38 -0.87 -1.84 115.31 116.47 3iuu h LEU 284 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 3iuu h LEU 284 Cb -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3iuu h LEU 284 CO -0.05 0.24 -0.73 -0.08 0.09 0.00 0.00 178.44 177.90 3iuu h GLU 285 N 0.00 0.41 -0.61 1.13 4.57 -0.72 -1.66 114.58 117.69 3iuu h GLU 285 Ca -0.00 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3iuu h GLU 285 Cb 0.53 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3iuu h GLU 285 CO 0.03 0.98 0.39 0.82 -1.18 0.00 0.00 179.01 180.05 3iuu h ILE 286 N 0.28 1.12 -0.85 2.32 2.04 -0.91 -2.67 117.51 118.84 3iuu h ILE 286 Ca -0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3iuu h ILE 286 Cb 1.31 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3iuu h ILE 286 CO 0.13 0.14 0.54 0.00 0.00 0.00 0.00 178.15 178.96 3iuu h ALA 287 N 1.25 1.36 0.00 1.87 0.00 -1.20 -0.92 119.26 121.61 3iuu h ALA 287 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3iuu h ALA 287 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3iuu h ALA 287 CO -0.08 0.58 -0.31 -0.09 0.00 0.00 0.00 179.25 179.35 3iuu h ARG 288 N 1.16 0.00 -0.24 0.00 2.43 -1.01 -3.18 114.38 113.53 3iuu h ARG 288 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3iuu h ARG 288 Cb -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3iuu h ARG 288 CO -0.06 0.31 0.00 0.25 -1.51 0.00 0.00 179.97 178.96 3iuu n THR 289 N -3.66 1.18 -5.01 0.20 -2.24 -0.86 -4.99 114.28 98.90 3iuu n THR 289 Ca -0.01 -1.15 -0.31 0.00 -2.27 0.00 0.00 64.05 60.31 3iuu n THR 289 Cb 0.43 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.90 3iuu n THR 289 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3iuu s SER 290 N -1.18 3.38 0.22 3.42 0.01 -0.41 -5.01 113.70 114.15 3iuu s SER 290 Ca 0.20 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.07 3iuu s SER 290 Cb 0.12 -0.46 0.20 0.00 0.21 0.00 0.00 66.02 66.09 3iuu s SER 290 CO 0.11 0.29 1.52 0.03 0.41 0.00 0.00 173.24 175.60 3iuu h ARG 291 N 5.09 0.16 -6.77 12.44 2.47 -1.89 -3.45 114.38 122.43 3iuu h ARG 291 Ca -0.45 -0.13 -0.51 0.00 -1.26 0.00 0.00 59.98 57.62 3iuu h ARG 291 Cb 1.14 0.03 0.03 0.00 -1.65 0.00 0.00 29.97 29.51 3iuu h ARG 291 CO 0.47 0.78 0.55 -1.14 0.56 0.00 0.00 179.97 181.19 3iuu s GLN 292 N -3.56 4.51 0.33 0.04 0.74 -1.26 -4.99 119.66 115.48 3iuu s GLN 292 Ca -0.03 1.94 -0.29 0.00 0.05 0.00 0.00 55.36 57.04 3iuu s GLN 292 Cb 0.12 -3.18 -0.12 0.00 1.10 0.00 0.00 33.01 30.93 3iuu s GLN 292 CO 0.80 -0.01 1.38 -0.11 -0.55 0.00 0.00 175.29 176.81 3iuu n LEU 293 N 1.62 3.89 -4.78 3.68 7.94 -1.26 -4.83 117.00 123.25 3iuu n LEU 293 Ca 0.01 1.20 -0.36 0.00 -1.11 0.00 0.00 56.01 55.75 3iuu n LEU 293 Cb 0.44 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.80 3iuu n LEU 293 CO 0.56 -0.26 -0.11 -0.76 -1.11 0.00 0.00 177.39 175.71 3iuu s LEU 294 N -1.09 4.30 -0.31 -1.96 2.01 -0.72 -1.31 118.68 119.60 3iuu s LEU 294 Ca 0.57 0.45 -0.05 0.00 0.01 0.00 0.00 54.13 55.11 3iuu s LEU 294 Cb -0.55 -2.21 0.04 0.00 0.01 0.00 0.00 46.19 43.48 3iuu s LEU 294 CO 0.60 0.24 0.05 0.00 1.01 0.00 0.00 176.35 178.25 3iuu s ALA 295 N -0.17 2.94 -0.31 4.21 0.00 0.48 -1.11 121.76 127.80 3iuu s ALA 295 Ca 0.14 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 3iuu s ALA 295 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 3iuu s ALA 295 CO 0.03 -1.20 0.21 -0.51 0.00 0.00 0.00 175.76 174.29 3iuu s LEU 296 N 1.37 4.24 -0.36 0.00 1.43 0.58 -1.90 118.68 124.04 3iuu s LEU 296 Ca -0.02 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3iuu s LEU 296 Cb -0.19 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3iuu s LEU 296 CO 0.01 -0.14 1.37 -0.83 0.23 0.00 0.00 176.35 176.98 3iuu s GLY 297 N 1.73 1.23 -1.21 -3.19 0.00 -0.21 -0.32 107.32 105.36 3iuu s GLY 297 Ca 0.06 -0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.57 3iuu s GLY 297 CO 0.10 2.69 1.66 -0.35 0.00 0.00 0.00 173.10 177.20 3iuu s ASP 298 N 3.41 6.68 0.30 1.64 -1.08 -0.55 -0.78 116.67 126.28 3iuu s ASP 298 Ca 0.59 -2.11 0.01 0.00 -0.52 0.00 0.00 52.55 50.53 3iuu s ASP 298 Cb -0.15 -2.58 0.55 0.00 -1.46 0.00 0.00 42.92 39.28 3iuu s ASP 298 CO 0.28 -1.34 1.87 -0.61 0.52 0.00 0.00 175.17 175.90 3iuu h GLN 299 N 8.34 0.97 0.00 4.34 5.75 -1.81 -1.61 115.11 131.09 3iuu h GLN 299 Ca 0.36 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3iuu h GLN 299 Cb 0.92 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.25 3iuu h GLN 299 CO 1.44 0.64 0.00 0.41 -2.65 0.00 0.00 178.83 178.68 3iuu n GLY 300 N -1.38 -1.39 2.31 2.39 0.00 -1.20 -3.91 105.19 102.01 3iuu n GLY 300 Ca 0.16 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3iuu n GLY 300 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iuu n ASP 301 N -1.97 -0.40 -4.59 1.61 2.03 -0.61 -0.86 116.55 111.76 3iuu n ASP 301 Ca 0.04 -2.87 -0.39 0.00 0.52 0.00 0.00 54.79 52.10 3iuu n ASP 301 Cb 0.30 -0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.49 3iuu n ASP 301 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iuu s ARG 302 N -0.93 3.91 0.00 -0.67 0.52 -1.21 -4.46 118.95 116.11 3iuu s ARG 302 Ca 0.35 -0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.31 3iuu s ARG 302 Cb 0.20 -3.68 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 3iuu s ARG 302 CO -0.13 -0.25 0.36 0.28 0.02 0.00 0.00 175.30 175.58 3iuu n VAL 303 N 5.09 0.29 0.00 3.52 0.31 -1.05 -0.41 118.33 126.07 3iuu n VAL 303 Ca -0.12 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3iuu n VAL 303 Cb 0.51 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3iuu n VAL 303 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iuu n GLY 305 N 2.06 0.00 2.24 2.92 0.00 -1.26 -4.12 105.19 107.04 3iuu n GLY 305 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3iuu n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuu n ALA 306 N 0.00 -0.04 -1.22 4.61 0.00 -0.98 -4.90 120.51 117.98 3iuu n ALA 306 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 3iuu n ALA 306 Cb 0.00 -0.65 0.13 0.00 0.00 0.00 0.00 19.45 18.94 3iuu n ALA 306 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iuu s GLY 307 N -2.38 1.62 0.32 0.00 0.00 0.45 -4.15 107.32 103.17 3iuu s GLY 307 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 44.72 44.82 3iuu s GLY 307 CO 0.00 0.42 1.62 -0.56 0.00 0.00 0.00 173.10 174.58 3iuu h PRO 308 N -1.52 0.00 -1.02 2.90 0.13 -1.91 -3.33 132.00 127.25 3iuu h PRO 308 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 3iuu h PRO 308 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3iuu h PRO 308 CO 0.55 0.48 -0.20 0.41 -0.23 0.00 0.00 178.00 179.01 3iuu n GLY 309 N 0.55 0.25 0.92 1.56 0.00 -1.26 -4.54 105.19 102.68 3iuu n GLY 309 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3iuu n GLY 309 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iuu n ASP 310 N 0.45 2.75 -4.64 1.61 5.75 -1.26 0.30 116.55 121.51 3iuu n ASP 310 Ca -0.10 -1.90 -0.43 0.00 -0.01 0.00 0.00 54.79 52.35 3iuu n ASP 310 Cb 0.51 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 3iuu n ASP 310 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3iuu s SER 311 N -1.44 6.82 -0.08 -1.12 0.15 -1.26 -0.58 113.70 116.19 3iuu s SER 311 Ca 0.36 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.42 3iuu s SER 311 Cb 0.20 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 62.35 3iuu s SER 311 CO 0.29 -0.93 1.17 -0.81 1.20 0.00 0.00 173.24 174.15 3iuu n PRO 312 N 6.98 2.58 -0.08 5.44 -0.04 -1.26 -4.65 135.00 143.97 3iuu n PRO 312 Ca 0.14 -1.48 -0.07 0.00 -0.04 0.00 0.00 63.50 62.04 3iuu n PRO 312 Cb 0.46 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3iuu n PRO 312 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3iuu h GLU 313 N 2.04 0.23 -0.61 0.54 4.57 -1.90 -0.65 114.58 118.80 3iuu h GLU 313 Ca 0.00 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3iuu h GLU 313 Cb 0.99 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 3iuu h GLU 313 CO 0.17 0.15 0.16 0.82 -1.18 0.00 0.00 179.01 179.13 3iuu h ILE 314 N 0.23 1.24 -0.59 2.32 2.04 -2.00 -0.10 117.51 120.66 3iuu h ILE 314 Ca 0.13 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3iuu h ILE 314 Cb 0.11 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3iuu h ILE 314 CO -0.14 0.32 0.34 0.00 0.00 0.00 0.00 178.15 178.67 3iuu h ALA 315 N 1.27 1.50 0.24 1.87 0.00 -1.76 -1.70 119.26 120.68 3iuu h ALA 315 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iuu h ALA 315 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iuu h ALA 315 CO -0.00 0.43 -0.11 -0.09 0.00 0.00 0.00 179.25 179.47 3iuu h ARG 316 N 0.81 -0.31 -0.65 0.00 2.43 0.48 -1.32 114.38 115.82 3iuu h ARG 316 Ca 0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3iuu h ARG 316 Cb -0.01 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3iuu h ARG 316 CO -0.04 -0.05 0.41 0.28 -1.51 0.00 0.00 179.97 179.06 3iuu h VAL 317 N -0.55 1.18 -0.07 0.20 2.07 -1.08 -0.14 116.25 117.86 3iuu h VAL 317 Ca -0.03 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3iuu h VAL 317 Cb 0.40 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3iuu h VAL 317 CO 0.05 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.72 3iuu h ALA 318 N 1.22 -0.05 -0.41 1.67 0.00 -1.26 0.36 119.26 120.78 3iuu h ALA 318 Ca 0.24 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3iuu h ALA 318 Cb -0.06 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iuu h ALA 318 CO -0.05 -0.57 0.19 -0.07 0.00 0.00 0.00 179.25 178.75 3iuu h LEU 319 N -0.14 0.26 0.08 0.00 3.38 -0.79 0.04 115.31 118.14 3iuu h LEU 319 Ca 0.06 0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 3iuu h LEU 319 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3iuu h LEU 319 CO -0.16 0.19 -1.55 -0.33 0.09 0.00 0.00 178.44 176.68 3iuu h GLU 320 N 0.38 0.18 0.00 1.13 5.08 -0.80 -3.36 114.58 117.19 3iuu h GLU 320 Ca 0.18 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3iuu h GLU 320 Cb 0.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3iuu h GLU 320 CO -0.14 1.00 -1.42 0.72 -1.00 0.00 0.00 179.01 178.17 3iuu n HIS 321 N -3.37 0.00 -3.17 4.33 8.25 0.12 -4.77 115.22 116.61 3iuu n HIS 321 Ca -0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.08 3iuu n HIS 321 Cb 1.03 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.86 3iuu n HIS 321 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3iuu n PHE 322 N -1.83 1.00 -1.69 4.41 3.01 -0.00 -5.02 117.46 117.34 3iuu n PHE 322 Ca -0.02 -3.81 -0.43 0.00 1.01 0.00 0.00 57.45 54.20 3iuu n PHE 322 Cb 0.29 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 3iuu n PHE 322 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3iuu n PRO 323 N 0.59 2.16 0.00 -1.08 -0.04 -1.20 -1.26 135.00 134.16 3iuu n PRO 323 Ca 0.25 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3iuu n PRO 323 Cb 0.55 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3iuu n PRO 323 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iuu n GLY 324 N 1.52 3.07 3.70 0.55 0.00 -1.26 -5.03 105.19 107.73 3iuu n GLY 324 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3iuu n GLY 324 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iuu s LEU 325 N 0.00 4.31 -0.56 0.99 2.96 -0.39 -4.82 118.68 121.18 3iuu s LEU 325 Ca 0.00 1.91 -0.24 0.00 -0.22 0.00 0.00 54.13 55.59 3iuu s LEU 325 Cb 0.00 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.17 3iuu s LEU 325 CO 0.00 -0.56 0.93 -0.54 -1.32 0.00 0.00 176.35 174.86 3iuu s LYS 326 N 1.84 3.31 -0.03 1.98 1.02 -1.26 -4.37 119.74 122.23 3iuu s LYS 326 Ca 0.58 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 56.28 3iuu s LYS 326 Cb -0.27 -4.07 -0.01 0.00 -0.52 0.00 0.00 37.83 32.97 3iuu s LYS 326 CO 0.25 -1.50 -0.16 0.08 -0.92 0.00 0.00 175.35 173.10 3iuu s VAL 327 N 3.91 1.34 -0.07 3.17 1.01 -1.19 -0.36 120.40 128.21 3iuu s VAL 327 Ca 0.29 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3iuu s VAL 327 Cb -0.13 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3iuu s VAL 327 CO 0.18 0.38 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 3iuu s ALA 328 N -0.11 2.38 -0.04 5.51 0.00 -0.62 -0.76 121.76 128.13 3iuu s ALA 328 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3iuu s ALA 328 Cb -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3iuu s ALA 328 CO 0.01 0.42 -0.01 0.08 0.00 0.00 0.00 175.76 176.26 3iuu s VAL 329 N -0.21 0.28 -0.11 0.00 1.01 -0.55 -1.79 120.40 119.03 3iuu s VAL 329 Ca -0.01 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 3iuu s VAL 329 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3iuu s VAL 329 CO 0.03 0.17 0.64 -2.16 0.00 0.00 0.00 175.10 173.79 3iuu s PRO 330 N 1.05 4.37 -0.06 2.72 0.04 -1.26 -0.77 135.00 141.09 3iuu s PRO 330 Ca -0.09 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3iuu s PRO 330 Cb -0.14 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.95 3iuu s PRO 330 CO -0.01 0.01 -0.04 0.08 0.04 0.00 0.00 177.00 177.09 3iuu s VAL 331 N 1.01 0.56 -0.15 -0.36 1.01 0.34 -4.88 120.40 117.93 3iuu s VAL 331 Ca 0.33 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 3iuu s VAL 331 Cb -0.17 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3iuu s VAL 331 CO 0.15 0.26 1.53 -0.47 0.00 0.00 0.00 175.10 176.57 3iuu s TYR 332 N 1.32 2.26 -0.42 5.22 5.04 0.15 -1.15 117.35 129.77 3iuu s TYR 332 Ca -0.05 0.54 0.01 0.00 -2.44 0.00 0.00 57.07 55.14 3iuu s TYR 332 Cb -0.14 -3.84 0.19 0.00 0.35 0.00 0.00 41.96 38.53 3iuu s TYR 332 CO -0.02 -2.92 0.84 0.34 -1.34 0.00 0.00 175.55 172.44 3iuu s ASP 333 N 3.32 -1.03 0.29 4.32 -1.08 -0.50 -4.46 116.67 117.53 3iuu s ASP 333 Ca 0.68 -0.90 -0.01 0.00 -0.52 0.00 0.00 52.55 51.80 3iuu s ASP 333 Cb -0.27 1.33 0.42 0.00 -1.46 0.00 0.00 42.92 42.94 3iuu s ASP 333 CO 0.26 -0.07 1.84 -0.65 0.52 0.00 0.00 175.17 177.06 3iuu h PRO 334 N 5.46 0.82 -0.83 4.34 0.11 -1.83 -2.06 132.00 138.00 3iuu h PRO 334 Ca 0.03 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3iuu h PRO 334 Cb 1.16 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3iuu h PRO 334 CO -0.01 0.73 0.41 0.37 -0.21 0.00 0.00 178.00 179.29 3iuu h GLN 335 N 0.79 1.20 -0.28 1.05 4.15 -1.96 -2.03 115.11 118.03 3iuu h GLN 335 Ca 0.18 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3iuu h GLN 335 Cb 0.27 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3iuu h GLN 335 CO -0.00 0.91 0.09 0.00 -1.93 0.00 0.00 178.83 177.90 3iuu h ALA 336 N 1.26 0.37 -0.48 3.38 0.00 -1.76 0.35 119.26 122.37 3iuu h ALA 336 Ca 0.29 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3iuu h ALA 336 Cb 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3iuu h ALA 336 CO -0.04 -0.01 -0.06 0.28 0.00 0.00 0.00 179.25 179.43 3iuu h VAL 337 N 0.30 0.57 -0.47 0.00 2.07 -1.23 0.19 116.25 117.67 3iuu h VAL 337 Ca 0.09 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3iuu h VAL 337 Cb 0.23 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3iuu h VAL 337 CO -0.00 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.63 3iuu h ARG 338 N 0.05 0.83 -0.59 1.57 3.08 -0.90 0.21 114.38 118.63 3iuu h ARG 338 Ca 0.24 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3iuu h ARG 338 Cb 0.36 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3iuu h ARG 338 CO -0.45 0.88 0.35 1.15 -1.07 0.00 0.00 179.97 180.83 3iuu h THR 339 N 0.68 1.04 -0.20 2.04 2.02 -0.58 -2.07 112.91 115.83 3iuu h THR 339 Ca 0.13 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3iuu h THR 339 Cb 0.50 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3iuu h THR 339 CO 0.02 0.12 0.07 0.00 0.37 0.00 0.00 175.52 176.11 3iuu h ALA 340 N 1.27 0.26 -0.20 6.16 0.00 -0.08 -2.09 119.26 124.58 3iuu h ALA 340 Ca 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iuu h ALA 340 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iuu h ALA 340 CO -0.12 -0.13 0.13 0.00 0.00 0.00 0.00 179.25 179.13 3iuu h ARG 341 N 0.17 0.23 -0.01 0.00 3.08 -0.40 0.17 114.38 117.62 3iuu h ARG 341 Ca 0.07 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.88 3iuu h ARG 341 Cb 0.19 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.21 3iuu h ARG 341 CO -0.00 0.15 -0.86 0.93 -1.07 0.00 0.00 179.97 179.11 3iuu h GLU 342 N 0.23 0.61 -0.58 0.04 4.39 -1.20 -3.28 114.58 114.79 3iuu h GLU 342 Ca 0.08 -0.64 -0.10 0.00 0.34 0.00 0.00 59.36 59.04 3iuu h GLU 342 Cb 0.03 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3iuu h GLU 342 CO -0.02 1.24 -0.04 0.00 -1.16 0.00 0.00 179.01 179.03 3iuu h ALA 343 N 0.39 0.83 0.00 3.43 0.00 -0.86 -3.50 119.26 119.54 3iuu h ALA 343 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3iuu h ALA 343 Cb 1.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3iuu h ALA 343 CO 0.17 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.50 3iuu n GLY 344 N -0.37 0.09 3.63 0.00 0.00 0.00 -4.68 105.19 103.86 3iuu n GLY 344 Ca 0.02 -1.65 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 3iuu n GLY 344 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iuu n GLU 345 N 0.34 1.69 0.00 1.61 1.02 -1.26 -2.52 120.64 121.52 3iuu n GLU 345 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3iuu n GLU 345 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 3iuu n GLU 345 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iuu n ASN 346 N 1.78 0.00 -4.79 1.62 3.02 0.12 -5.01 115.26 112.01 3iuu n ASN 346 Ca 0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 3iuu n ASN 346 Cb 0.30 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.48 3iuu n ASN 346 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iuu s ALA 347 N -2.26 2.70 -0.14 5.41 0.00 -1.05 -4.76 121.76 121.66 3iuu s ALA 347 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3iuu s ALA 347 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3iuu s ALA 347 CO 0.00 -0.80 -0.08 0.99 0.00 0.00 0.00 175.76 175.87 3iuu s THR 348 N -2.19 3.55 -0.08 0.00 2.01 -1.26 -1.48 115.64 116.19 3iuu s THR 348 Ca 0.67 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.20 3iuu s THR 348 Cb -0.19 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.81 3iuu s THR 348 CO 0.32 0.51 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.98 3iuu s VAL 349 N 0.35 0.95 0.48 3.82 1.01 -0.03 -4.93 120.40 122.05 3iuu s VAL 349 Ca -0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 3iuu s VAL 349 Cb -0.15 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 3iuu s VAL 349 CO 0.04 0.33 1.15 -0.60 0.00 0.00 0.00 175.10 176.02 3iuu s ARG 350 N 1.09 3.65 -0.22 2.72 3.52 -1.26 -1.17 118.95 127.28 3iuu s ARG 350 Ca -0.07 1.71 0.02 0.00 -0.13 0.00 0.00 55.73 57.26 3iuu s ARG 350 Cb -0.14 -2.28 0.05 0.00 -1.56 0.00 0.00 34.95 31.01 3iuu s ARG 350 CO -0.01 -0.63 -0.11 0.00 -0.81 0.00 0.00 175.30 173.74 3iuu s ALA 352 N -1.62 2.27 -0.10 6.12 0.00 -1.26 -4.94 121.76 122.22 3iuu s ALA 352 Ca 0.66 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3iuu s ALA 352 Cb -0.27 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3iuu s ALA 352 CO 0.32 -0.94 0.06 0.08 0.00 0.00 0.00 175.76 175.27 3iuu s VAL 353 N 1.26 4.79 0.12 0.00 1.01 0.12 -4.79 120.40 122.92 3iuu s VAL 353 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3iuu s VAL 353 Cb -0.18 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3iuu s VAL 353 CO -0.07 0.61 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3iuu n GLY 354 N 2.14 -1.57 3.02 4.51 0.00 -1.26 -0.35 105.19 111.68 3iuu n GLY 354 Ca -0.19 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3iuu n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuu n GLY 355 N -2.24 0.61 0.29 -0.02 0.00 0.25 -4.12 105.19 99.97 3iuu n GLY 355 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3iuu n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuu h ALA 356 N 0.00 1.01 0.00 4.61 0.00 -1.89 -3.37 119.26 119.61 3iuu h ALA 356 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iuu h ALA 356 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iuu h ALA 356 CO 0.00 0.01 -1.11 1.19 0.00 0.00 0.00 179.25 179.34 3iuu n PHE 357 N -3.11 0.00 -3.11 0.00 3.72 -1.26 -4.93 117.46 108.77 3iuu n PHE 357 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 3iuu n PHE 357 Cb 0.25 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3iuu n PHE 357 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3iuu s THR 358 N -2.04 4.81 0.45 4.37 2.01 -1.26 -4.87 115.64 119.11 3iuu s THR 358 Ca -0.01 -0.14 0.26 0.00 0.31 0.00 0.00 61.69 62.11 3iuu s THR 358 Cb 0.01 -4.27 0.45 0.00 0.01 0.00 0.00 72.50 68.70 3iuu s THR 358 CO 0.06 -0.73 1.76 -0.74 -0.69 0.00 0.00 174.62 174.29 3iuu h HIS 359 N 8.96 0.44 0.00 4.92 2.76 -1.91 -2.91 115.15 127.41 3iuu h HIS 359 Ca -0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3iuu h HIS 359 Cb 1.09 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.93 3iuu h HIS 359 CO 0.75 0.01 0.00 0.45 -1.30 0.00 0.00 177.93 177.84 3iuu n SER 360 N -4.50 0.00 -4.08 3.26 2.88 -1.26 -4.80 113.62 105.13 3iuu n SER 360 Ca 0.27 -0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.57 3iuu n SER 360 Cb 1.07 -0.29 -0.11 0.00 -0.75 0.00 0.00 64.21 64.13 3iuu n SER 360 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3iuu s VAL 361 N -2.57 0.58 0.18 2.46 -7.23 -1.10 -4.85 120.40 107.87 3iuu s VAL 361 Ca 0.27 -1.15 -0.10 0.00 -1.81 0.00 0.00 61.98 59.18 3iuu s VAL 361 Cb 0.19 -0.71 -0.07 0.00 0.56 0.00 0.00 36.38 36.36 3iuu s VAL 361 CO 0.44 -0.41 0.51 0.00 -0.31 0.00 0.00 175.10 175.33 3iuu s ALA 362 N -1.53 3.62 0.76 1.32 0.00 -1.26 -4.75 121.76 119.92 3iuu s ALA 362 Ca -0.08 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 3iuu s ALA 362 Cb -0.09 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.68 3iuu s ALA 362 CO 0.00 0.52 1.18 -2.30 0.00 0.00 0.00 175.76 175.17 3iuu n PRO 363 N 0.26 0.46 -3.57 0.00 -0.02 -1.26 -4.58 135.00 126.29 3iuu n PRO 363 Ca -0.02 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 3iuu n PRO 363 Cb 0.52 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3iuu n PRO 363 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iuu s LEU 364 N -4.92 4.93 -0.22 2.45 2.96 0.52 -4.84 118.68 119.57 3iuu s LEU 364 Ca 0.76 -1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3iuu s LEU 364 Cb -0.32 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3iuu s LEU 364 CO 0.48 -0.45 0.08 -0.70 -1.32 0.00 0.00 176.35 174.44 3iuu s GLU 365 N 1.53 3.86 0.26 1.98 2.12 -1.26 -0.71 118.70 126.48 3iuu s GLU 365 Ca 0.02 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 3iuu s GLU 365 Cb -0.21 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.90 3iuu s GLU 365 CO 0.06 0.06 0.63 1.03 -0.54 0.00 0.00 175.26 176.49 3iuu s ARG 366 N 0.97 1.66 -0.79 4.30 1.81 -1.26 -4.96 118.95 120.68 3iuu s ARG 366 Ca 0.04 -1.03 -0.26 0.00 -1.72 0.00 0.00 55.73 52.77 3iuu s ARG 366 Cb -0.14 0.56 0.01 0.00 -0.45 0.00 0.00 34.95 34.94 3iuu s ARG 366 CO 0.03 -0.74 1.53 -0.51 -0.68 0.00 0.00 175.30 174.93 3iuu s ASP 367 N -2.94 5.91 -0.06 0.23 1.01 -1.26 -4.08 116.67 115.47 3iuu s ASP 367 Ca 0.14 -0.52 -0.21 0.00 0.71 0.00 0.00 52.55 52.67 3iuu s ASP 367 Cb -0.04 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3iuu s ASP 367 CO 0.06 -2.00 0.60 0.26 0.21 0.00 0.00 175.17 174.30 3iuu s TRP 368 N 6.87 3.59 -0.13 4.23 0.52 -0.32 -4.70 118.94 129.00 3iuu s TRP 368 Ca 0.49 1.13 -0.12 0.00 0.02 0.00 0.00 56.10 57.62 3iuu s TRP 368 Cb -0.07 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.53 3iuu s TRP 368 CO 0.09 0.19 0.27 0.99 0.02 0.00 0.00 176.95 178.50 3iuu s THR 369 N 0.47 5.31 -0.68 2.01 2.01 0.03 -0.85 115.64 123.93 3iuu s THR 369 Ca 0.32 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 3iuu s THR 369 Cb -0.17 -3.59 0.08 0.00 0.01 0.00 0.00 72.50 68.83 3iuu s THR 369 CO 0.15 0.46 0.98 -0.69 -0.69 0.00 0.00 174.62 174.84 3iuu s VAL 370 N -0.05 4.36 0.03 3.82 1.01 -0.55 -0.81 120.40 128.22 3iuu s VAL 370 Ca 0.16 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3iuu s VAL 370 Cb -0.13 -4.69 -0.33 0.00 0.00 0.00 0.00 36.38 31.23 3iuu s VAL 370 CO 0.05 -1.46 1.00 0.03 0.00 0.00 0.00 175.10 174.71 3iuu h ARG 371 N 9.50 0.43 -2.70 2.72 2.47 -1.20 0.35 114.38 125.95 3iuu h ARG 371 Ca -0.25 -0.73 -0.11 0.00 -1.26 0.00 0.00 59.98 57.63 3iuu h ARG 371 Cb 1.07 0.27 -0.23 0.00 -1.65 0.00 0.00 29.97 29.43 3iuu h ARG 371 CO 1.18 1.34 -0.20 0.21 0.56 0.00 0.00 179.97 183.06 3iuu s LYS 372 N -2.62 0.53 -0.18 0.04 2.20 -1.18 -4.68 119.74 113.86 3iuu s LYS 372 Ca -0.08 0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 3iuu s LYS 372 Cb 0.05 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3iuu s LYS 372 CO 0.91 -0.08 -0.07 -0.51 -0.36 0.00 0.00 175.35 175.25 3iuu s LEU 373 N 0.06 2.88 0.36 5.43 1.43 -1.26 -0.83 118.68 126.75 3iuu s LEU 373 Ca -0.01 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 3iuu s LEU 373 Cb -0.03 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3iuu s LEU 373 CO 0.01 0.06 0.75 0.00 0.23 0.00 0.00 176.35 177.40 3iuu s ARG 375 N -2.68 4.19 -1.51 0.00 6.06 -1.26 -0.30 118.95 123.44 3iuu s ARG 375 Ca 0.16 0.33 -0.08 0.00 -2.50 0.00 0.00 55.73 53.64 3iuu s ARG 375 Cb -0.05 -3.37 -0.01 0.00 0.06 0.00 0.00 34.95 31.58 3iuu s ARG 375 CO 0.11 0.33 2.73 0.00 -2.50 0.00 0.00 175.30 175.98 3iuu n ALA 376 N 3.12 7.26 -2.74 6.12 0.00 0.54 -4.81 120.51 130.00 3iuu n ALA 376 Ca -0.10 -3.75 -0.33 0.00 0.00 0.00 0.00 53.44 49.26 3iuu n ALA 376 Cb 0.52 -3.15 -0.13 0.00 0.00 0.00 0.00 19.45 16.69 3iuu n ALA 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3iuu s ARG 377 N 0.93 2.95 0.09 0.00 6.06 -1.26 -1.12 118.95 126.60 3iuu s ARG 377 Ca 0.64 -0.64 -0.26 0.00 -2.50 0.00 0.00 55.73 52.96 3iuu s ARG 377 Cb 0.18 -2.56 0.09 0.00 0.06 0.00 0.00 34.95 32.72 3iuu s ARG 377 CO -0.07 0.46 1.13 -0.59 -2.50 0.00 0.00 175.30 173.73 3iuu s PHE 378 N -0.29 -0.02 -0.18 5.12 -0.71 -0.75 -4.90 117.98 116.24 3iuu s PHE 378 Ca 0.03 -0.22 -0.02 0.00 -1.04 0.00 0.00 56.93 55.67 3iuu s PHE 378 Cb -0.13 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.29 3iuu s PHE 378 CO 0.03 -0.61 -0.08 0.99 -1.34 0.00 0.00 175.22 174.21 3iuu s THR 379 N -2.53 3.32 0.13 -4.49 2.01 -1.26 -0.62 115.64 112.20 3iuu s THR 379 Ca 0.18 -0.54 -0.32 0.00 0.31 0.00 0.00 61.69 61.33 3iuu s THR 379 Cb 0.00 -2.46 -0.11 0.00 0.01 0.00 0.00 72.50 69.94 3iuu s THR 379 CO 0.01 0.47 1.81 0.59 -0.69 0.00 0.00 174.62 176.81 3iuu n ASN 380 N 4.13 3.95 -0.11 3.53 3.02 -0.55 -4.73 115.26 124.50 3iuu n ASN 380 Ca -0.18 1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 55.25 3iuu n ASN 380 Cb 0.52 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 3iuu n ASN 380 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3iuu h ILE 381 N 4.53 1.29 0.00 2.41 2.04 -1.90 0.62 117.51 126.50 3iuu h ILE 381 Ca -0.46 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.07 3iuu h ILE 381 Cb 1.22 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3iuu h ILE 381 CO 0.95 0.43 0.00 0.61 0.00 0.00 0.00 178.15 180.14 3iuu n GLY 382 N 0.00 -1.16 0.37 5.37 0.00 -1.26 -4.24 105.19 104.27 3iuu n GLY 382 Ca -0.03 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.24 3iuu n GLY 382 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iuu h PRO 383 N 0.00 1.14 -2.61 1.61 0.11 -1.89 -3.37 132.00 127.00 3iuu h PRO 383 Ca 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3iuu h PRO 383 Cb 0.00 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3iuu h PRO 383 CO 0.00 0.76 0.22 0.98 -0.21 0.00 0.00 178.00 179.75 3iuu n TYR 384 N -4.50 0.00 -3.67 0.65 9.36 -1.26 -4.91 117.16 112.82 3iuu n TYR 384 Ca 0.15 -0.36 -0.11 0.00 3.32 0.00 0.00 57.90 60.91 3iuu n TYR 384 Cb 0.17 -0.63 -0.09 0.00 -0.63 0.00 0.00 39.34 38.16 3iuu n TYR 384 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3iuu s ALA 386 N 2.31 -1.45 0.00 2.98 0.00 -1.26 -4.89 121.76 119.44 3iuu s ALA 386 Ca 0.14 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.95 3iuu s ALA 386 Cb 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3iuu s ALA 386 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3iuu n GLY 387 N 3.70 2.81 3.73 0.00 0.00 0.21 -4.96 105.19 110.68 3iuu n GLY 387 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3iuu n GLY 387 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iuu s THR 388 N -2.06 4.54 0.38 2.61 -1.32 -1.26 -4.78 115.64 113.76 3iuu s THR 388 Ca 0.00 2.06 -0.22 0.00 -1.21 0.00 0.00 61.69 62.32 3iuu s THR 388 Cb 0.00 -4.32 -0.10 0.00 -1.51 0.00 0.00 72.50 66.57 3iuu s THR 388 CO 0.00 0.29 0.93 -0.70 -2.21 0.00 0.00 174.62 172.93 3iuu s GLU 389 N 0.15 4.34 0.07 7.08 2.12 -1.26 -1.48 118.70 129.72 3iuu s GLU 389 Ca 0.48 1.15 0.03 0.00 0.36 0.00 0.00 54.97 56.99 3iuu s GLU 389 Cb -0.23 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 3iuu s GLU 389 CO 0.30 0.10 -0.09 0.00 -0.54 0.00 0.00 175.26 175.03 3iuu s ALA 390 N -1.95 0.84 -0.25 6.30 0.00 0.21 -4.92 121.76 121.98 3iuu s ALA 390 Ca 0.57 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3iuu s ALA 390 Cb -0.13 0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.17 3iuu s ALA 390 CO 0.17 -0.04 0.31 0.34 0.00 0.00 0.00 175.76 176.54 3iuu s ASP 391 N -2.08 1.09 -0.24 0.00 2.15 -1.26 -1.82 116.67 114.52 3iuu s ASP 391 Ca -0.01 -0.31 0.10 0.00 0.43 0.00 0.00 52.55 52.75 3iuu s ASP 391 Cb -0.05 0.69 0.67 0.00 -0.30 0.00 0.00 42.92 43.93 3iuu s ASP 391 CO -0.00 -0.35 1.61 0.49 -0.17 0.00 0.00 175.17 176.75 3iuu n PHE 392 N 5.33 1.95 -2.25 -5.34 3.72 -0.27 -4.95 117.46 115.65 3iuu n PHE 392 Ca -0.03 -0.83 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 3iuu n PHE 392 Cb 0.48 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3iuu n PHE 392 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iuu n GLY 393 N 0.23 -1.90 3.77 1.37 0.00 -1.26 -2.78 105.19 104.62 3iuu n GLY 393 Ca 0.29 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3iuu n GLY 393 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iuu s ASP 394 N -4.00 6.24 0.06 1.61 1.01 -1.26 -0.34 116.67 119.99 3iuu s ASP 394 Ca 0.00 2.74 0.02 0.00 0.71 0.00 0.00 52.55 56.02 3iuu s ASP 394 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3iuu s ASP 394 CO 0.00 -0.91 -0.07 0.00 0.21 0.00 0.00 175.17 174.40 3iuu s ALA 395 N -1.23 0.70 -0.06 5.23 0.00 0.59 -1.92 121.76 125.07 3iuu s ALA 395 Ca 0.57 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3iuu s ALA 395 Cb -0.40 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3iuu s ALA 395 CO 0.52 -0.11 -0.08 0.00 0.00 0.00 0.00 175.76 176.08 3iuu s ALA 396 N -2.26 0.99 -0.32 0.00 0.00 -0.43 -2.12 121.76 117.63 3iuu s ALA 396 Ca -0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 3iuu s ALA 396 Cb -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3iuu s ALA 396 CO -0.02 0.02 0.62 0.08 0.00 0.00 0.00 175.76 176.46 3iuu s VAL 397 N 0.85 4.93 0.02 0.00 1.01 -0.01 -0.97 120.40 126.23 3iuu s VAL 397 Ca -0.12 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.70 3iuu s VAL 397 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3iuu s VAL 397 CO 0.01 -0.18 -0.18 -0.76 0.00 0.00 0.00 175.10 174.00 3iuu s LEU 398 N 2.61 2.59 0.09 3.92 1.43 0.43 -0.63 118.68 129.13 3iuu s LEU 398 Ca 0.25 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3iuu s LEU 398 Cb -0.15 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3iuu s LEU 398 CO 0.12 0.28 -0.14 0.42 0.23 0.00 0.00 176.35 177.26 3iuu s THR 399 N -0.86 1.20 -0.24 5.49 -4.23 0.01 -0.35 115.64 116.66 3iuu s THR 399 Ca 0.14 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 3iuu s THR 399 Cb -0.10 -1.26 0.07 0.00 1.34 0.00 0.00 72.50 72.54 3iuu s THR 399 CO 0.04 -0.30 0.60 0.00 -0.54 0.00 0.00 174.62 174.42 3iuu n ASP 401 N 3.97 0.00 -1.11 0.00 8.00 -1.26 -1.04 116.55 125.12 3iuu n ASP 401 Ca -0.20 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.40 3iuu n ASP 401 Cb 0.57 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.94 3iuu n ASP 401 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuu n ALA 402 N 8.46 2.41 -2.66 2.24 0.00 -1.26 -4.92 120.51 124.77 3iuu n ALA 402 Ca 0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 53.44 52.02 3iuu n ALA 402 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 3iuu n ALA 402 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iuu s VAL 403 N -1.23 5.23 -0.16 0.00 1.01 -0.20 -3.16 120.40 121.88 3iuu s VAL 403 Ca 0.40 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 3iuu s VAL 403 Cb 0.21 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3iuu s VAL 403 CO 0.28 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 174.96 3iuu s THR 404 N -0.79 3.24 -0.19 3.92 2.01 0.06 -2.01 115.64 121.88 3iuu s THR 404 Ca 0.20 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 3iuu s THR 404 Cb -0.15 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.96 3iuu s THR 404 CO 0.09 0.49 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 3iuu s VAL 405 N 0.73 2.80 -0.44 3.82 1.01 0.52 -1.48 120.40 127.35 3iuu s VAL 405 Ca -0.04 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3iuu s VAL 405 Cb -0.15 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.04 3iuu s VAL 405 CO 0.02 0.48 0.44 -0.63 0.00 0.00 0.00 175.10 175.41 3iuu s ILE 406 N 1.24 5.11 0.06 2.22 1.09 0.05 -0.43 121.20 130.54 3iuu s ILE 406 Ca 0.03 -0.56 -0.22 0.00 -1.10 0.00 0.00 60.65 58.80 3iuu s ILE 406 Cb -0.14 -4.08 -0.06 0.00 -1.06 0.00 0.00 42.46 37.12 3iuu s ILE 406 CO -0.06 -0.49 0.65 0.68 -0.10 0.00 0.00 174.94 175.62 3iuu s VAL 407 N 2.04 4.72 0.11 2.92 -7.23 -0.14 -0.51 120.40 122.31 3iuu s VAL 407 Ca 0.10 1.39 0.06 0.00 -1.81 0.00 0.00 61.98 61.72 3iuu s VAL 407 Cb -0.19 -3.99 -0.04 0.00 0.56 0.00 0.00 36.38 32.72 3iuu s VAL 407 CO 0.11 0.47 -0.15 0.42 -0.31 0.00 0.00 175.10 175.65 3iuu s THR 408 N -0.66 1.32 -1.60 5.32 -4.23 -0.30 -1.31 115.64 114.19 3iuu s THR 408 Ca 0.33 -1.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 3iuu s THR 408 Cb -0.20 -1.45 0.23 0.00 1.34 0.00 0.00 72.50 72.42 3iuu s THR 408 CO 0.21 -0.35 1.09 0.41 -0.54 0.00 0.00 174.62 175.43 3iuu n THR 409 N 0.71 0.50 -2.92 3.99 -1.04 -0.81 -1.41 114.28 113.30 3iuu n THR 409 Ca -0.17 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.05 61.07 3iuu n THR 409 Cb 0.56 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 69.00 3iuu n THR 409 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iuu s ALA 411 N -1.64 3.44 -1.21 2.41 0.00 -1.26 -4.68 121.76 118.81 3iuu s ALA 411 Ca 0.16 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 3iuu s ALA 411 Cb 0.10 -3.16 0.12 0.00 0.00 0.00 0.00 23.12 20.19 3iuu s ALA 411 CO 0.09 -0.46 1.52 -1.25 0.00 0.00 0.00 175.76 175.66 3iuu s PRO 412 N 1.68 3.99 -1.08 0.00 0.04 -1.26 -4.77 135.00 133.60 3iuu s PRO 412 Ca 0.39 -2.22 -0.10 0.00 0.04 0.00 0.00 61.00 59.11 3iuu s PRO 412 Cb -0.17 -5.25 -0.07 0.00 0.04 0.00 0.00 34.50 29.05 3iuu s PRO 412 CO 0.15 -1.97 2.26 -1.71 0.04 0.00 0.00 177.00 175.77 3iuu n ASN 413 N 6.92 5.19 -4.56 6.66 5.15 -1.26 -4.75 115.26 128.61 3iuu n ASN 413 Ca 0.40 -2.48 -0.42 0.00 -0.60 0.00 0.00 54.58 51.48 3iuu n ASN 413 Cb 0.45 -1.24 -0.03 0.00 -0.53 0.00 0.00 39.78 38.43 3iuu n ASN 413 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iuu s VAL 414 N 3.42 4.08 -0.05 3.44 1.01 -1.26 -4.76 120.40 126.28 3iuu s VAL 414 Ca 0.49 0.64 0.09 0.00 0.00 0.00 0.00 61.98 63.20 3iuu s VAL 414 Cb 0.13 -4.70 0.14 0.00 0.00 0.00 0.00 36.38 31.95 3iuu s VAL 414 CO -0.02 -1.35 1.07 0.00 0.00 0.00 0.00 175.10 174.80 3iuu n HIS 415 N 8.29 0.00 -3.75 5.22 1.44 -1.26 -0.41 115.22 124.75 3iuu n HIS 415 Ca 0.06 -0.44 -0.13 0.00 -2.01 0.00 0.00 57.72 55.20 3iuu n HIS 415 Cb 0.48 -0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.40 3iuu n HIS 415 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3iuu s ASP 416 N -1.81 -0.31 0.46 4.39 -1.08 -1.26 -4.38 116.67 112.69 3iuu s ASP 416 Ca 0.15 0.50 0.22 0.00 -0.52 0.00 0.00 52.55 52.90 3iuu s ASP 416 Cb 0.14 0.58 1.14 0.00 -1.46 0.00 0.00 42.92 43.32 3iuu s ASP 416 CO -0.00 -0.24 1.96 1.55 0.52 0.00 0.00 175.17 178.97 3iuu h PRO 417 N 4.99 0.00 -0.66 4.34 0.13 -1.93 -3.05 132.00 135.82 3iuu h PRO 417 Ca -0.28 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.04 3iuu h PRO 417 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3iuu h PRO 417 CO 0.32 0.21 0.47 0.00 -0.23 0.00 0.00 178.00 178.77 3iuu h ALA 418 N 1.79 2.58 -0.30 -0.56 0.00 -1.96 -1.65 119.26 119.16 3iuu h ALA 418 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3iuu h ALA 418 Cb 0.48 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3iuu h ALA 418 CO 0.03 -0.77 0.03 0.35 0.00 0.00 0.00 179.25 178.89 3iuu h PHE 419 N 0.03 0.05 -0.56 0.00 3.57 -1.85 -0.36 116.94 117.82 3iuu h PHE 419 Ca 0.31 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 3iuu h PHE 419 Cb 1.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3iuu h PHE 419 CO -0.00 -0.01 0.07 1.88 -2.23 0.00 0.00 178.31 178.02 3iuu h TYR 420 N 0.13 1.00 -0.55 0.41 0.05 -1.52 -2.37 116.97 114.12 3iuu h TYR 420 Ca 0.14 -0.15 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3iuu h TYR 420 Cb 0.17 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3iuu h TYR 420 CO -0.19 0.89 0.01 0.93 -1.05 0.00 0.00 178.16 178.75 3iuu h GLU 421 N 0.82 0.97 -0.88 4.88 4.39 -1.50 0.15 114.58 123.41 3iuu h GLU 421 Ca 0.17 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3iuu h GLU 421 Cb 0.44 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3iuu h GLU 421 CO 0.01 0.97 0.50 0.00 -1.16 0.00 0.00 179.01 179.33 3iuu h ALA 422 N 0.96 1.21 -0.31 3.43 0.00 -0.68 -2.25 119.26 121.62 3iuu h ALA 422 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iuu h ALA 422 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iuu h ALA 422 CO 0.03 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.25 3iuu n VAL 423 N -4.34 0.42 -2.23 0.00 0.24 -0.93 -4.92 118.33 106.57 3iuu n VAL 423 Ca 0.09 -0.44 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 3iuu n VAL 423 Cb 0.09 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3iuu n VAL 423 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iuu n GLY 424 N 1.06 0.31 2.97 7.63 0.00 -0.85 -4.93 105.19 111.39 3iuu n GLY 424 Ca 0.12 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 3iuu n GLY 424 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iuu s VAL 425 N -2.41 3.22 0.41 1.61 1.01 0.01 -5.03 120.40 119.22 3iuu s VAL 425 Ca 0.03 -3.90 -0.26 0.00 0.00 0.00 0.00 61.98 57.85 3iuu s VAL 425 Cb -0.01 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 3iuu s VAL 425 CO 0.03 -0.97 1.37 -2.84 0.00 0.00 0.00 175.10 172.69 3iuu s PRO 426 N -1.09 3.95 0.24 2.72 0.02 -1.26 -4.15 135.00 135.42 3iuu s PRO 426 Ca 0.23 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 3iuu s PRO 426 Cb -0.11 -2.80 0.32 0.00 0.02 0.00 0.00 34.50 31.94 3iuu s PRO 426 CO -0.11 -0.57 1.85 -0.07 -0.33 0.00 0.00 177.00 177.77 3iuu h LEU 427 N 2.70 0.82 -2.71 -5.54 3.38 -1.94 -1.21 115.31 110.82 3iuu h LEU 427 Ca -0.50 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3iuu h LEU 427 Cb 1.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3iuu h LEU 427 CO 0.63 0.53 0.01 0.00 0.09 0.00 0.00 178.44 179.69 3iuu h ALA 428 N 1.40 1.28 -0.00 1.53 0.00 -2.00 -1.70 119.26 119.78 3iuu h ALA 428 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3iuu h ALA 428 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iuu h ALA 428 CO -0.17 -0.01 -0.01 -1.13 0.00 0.00 0.00 179.25 177.93 3iuu n SER 429 N -3.48 0.01 -4.59 0.00 3.41 -0.46 -4.89 113.62 103.63 3iuu n SER 429 Ca -0.03 0.32 -0.24 0.00 -0.26 0.00 0.00 58.87 58.66 3iuu n SER 429 Cb 0.09 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 3iuu n SER 429 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iuu s GLN 430 N -2.89 2.12 -0.00 4.33 -1.52 -0.64 -4.97 119.66 116.09 3iuu s GLN 430 Ca 0.18 -1.44 0.21 0.00 -1.95 0.00 0.00 55.36 52.36 3iuu s GLN 430 Cb 0.19 -2.09 -0.25 0.00 -0.22 0.00 0.00 33.01 30.64 3iuu s GLN 430 CO 0.52 0.38 0.55 1.04 -0.25 0.00 0.00 175.29 177.53 3iuu n GLN 431 N -0.58 0.65 -3.71 2.91 6.02 0.51 -4.83 117.38 118.36 3iuu n GLN 431 Ca -0.07 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.69 3iuu n GLN 431 Cb 0.58 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 30.15 3iuu n GLN 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iuu s ALA 432 N -3.31 -1.11 0.20 -1.58 0.00 -0.85 -1.75 121.76 113.36 3iuu s ALA 432 Ca -0.07 1.01 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3iuu s ALA 432 Cb 0.12 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3iuu s ALA 432 CO 0.87 -0.25 -0.05 0.14 0.00 0.00 0.00 175.76 176.48 3iuu s VAL 433 N -0.39 1.13 -0.10 0.00 -7.23 -0.26 -1.59 120.40 111.96 3iuu s VAL 433 Ca -0.05 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.05 3iuu s VAL 433 Cb -0.03 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3iuu s VAL 433 CO 0.03 -0.48 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.60 3iuu s VAL 434 N -3.35 3.81 -0.07 1.32 1.01 -0.74 -0.31 120.40 122.07 3iuu s VAL 434 Ca 0.24 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3iuu s VAL 434 Cb 0.04 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3iuu s VAL 434 CO 0.06 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 3iuu s ALA 435 N -0.40 2.92 -1.14 5.51 0.00 0.56 -4.73 121.76 124.48 3iuu s ALA 435 Ca 0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3iuu s ALA 435 Cb -0.12 -1.20 0.25 0.00 0.00 0.00 0.00 23.12 22.05 3iuu s ALA 435 CO 0.02 0.54 1.92 0.54 0.00 0.00 0.00 175.76 178.78 3iuu n ARG 436 N 2.35 4.91 -3.53 0.00 1.74 0.46 -1.48 116.66 121.10 3iuu n ARG 436 Ca -0.18 -4.23 -0.09 0.00 -0.77 0.00 0.00 57.85 52.58 3iuu n ARG 436 Cb 0.53 -2.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 3iuu n ARG 436 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iuu s ALA 437 N -2.83 -1.71 -0.13 7.54 0.00 -1.26 -2.54 121.76 120.82 3iuu s ALA 437 Ca 0.42 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3iuu s ALA 437 Cb 0.16 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 3iuu s ALA 437 CO -0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 175.76 174.83 3iuu n ALA 438 N -0.32 1.71 -0.00 0.00 0.00 -1.26 -3.95 120.51 116.69 3iuu n ALA 438 Ca -0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 53.44 52.73 3iuu n ALA 438 Cb 0.62 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.23 3iuu n ALA 438 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iuu n ASN 439 N -2.81 4.11 0.00 0.00 3.02 -1.26 -4.79 115.26 113.54 3iuu n ASN 439 Ca -0.23 -0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.44 3iuu n ASN 439 Cb 0.77 0.08 0.56 0.00 -0.61 0.00 0.00 39.78 40.58 3iuu n ASN 439 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3iuu n HIS 440 N -2.43 0.03 0.22 3.10 8.25 -1.26 -3.10 115.22 120.02 3iuu n HIS 440 Ca -0.01 0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3iuu n HIS 440 Cb 0.51 -0.51 0.04 0.00 1.12 0.00 0.00 29.99 31.15 3iuu n HIS 440 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 3iuu h TYR 441 N 0.00 0.00 0.06 4.41 -0.00 -1.87 -3.41 116.97 116.16 3iuu h TYR 441 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3iuu h TYR 441 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 3iuu h TYR 441 CO 0.00 0.00 -0.03 0.87 -0.00 0.00 0.00 178.16 179.00 3iuu h LYS 442 N 0.00 -0.08 -0.95 0.10 1.57 -1.86 -2.11 116.57 113.24 3iuu h LYS 442 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iuu h LYS 442 Cb 0.94 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 3iuu h LYS 442 CO 0.00 0.02 0.58 1.25 -0.57 0.00 0.00 179.45 180.73 3iuu h LEU 443 N -0.15 1.13 -1.91 2.94 5.85 -1.80 -0.67 115.31 120.70 3iuu h LEU 443 Ca -0.01 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3iuu h LEU 443 Cb 0.13 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3iuu h LEU 443 CO 0.01 0.86 -0.12 0.28 -0.34 0.00 0.00 178.44 179.14 3iuu h SER 444 N 1.31 0.00 -0.02 1.25 0.02 -1.58 -2.90 113.55 111.63 3iuu h SER 444 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3iuu h SER 444 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3iuu h SER 444 CO -0.07 0.12 -0.09 0.49 -1.14 0.00 0.00 176.83 176.14 3iuu n PHE 445 N -3.94 0.00 -0.17 3.45 3.01 -0.85 -4.58 117.46 114.37 3iuu n PHE 445 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 3iuu n PHE 445 Cb 0.21 0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.06 3iuu n PHE 445 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iuu h ALA 446 N 2.69 1.78 0.00 4.37 0.00 -0.92 0.26 119.26 127.45 3iuu h ALA 446 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3iuu h ALA 446 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iuu h ALA 446 CO 0.00 0.09 -0.37 -0.44 0.00 0.00 0.00 179.25 178.54 3iuu h ASP 447 N 0.68 0.00 0.00 0.00 3.32 -1.85 -3.35 116.42 115.22 3iuu h ASP 447 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3iuu h ASP 447 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3iuu h ASP 447 CO -0.11 0.37 0.00 2.30 -1.72 0.00 0.00 179.24 180.08 3iuu n ILE 448 N -3.25 0.00 -3.70 0.35 -5.35 -0.64 -5.05 119.36 101.72 3iuu n ILE 448 Ca 0.02 -0.45 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 3iuu n ILE 448 Cb 0.63 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.54 3iuu n ILE 448 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iuu s ALA 449 N -0.11 -0.97 0.01 -1.28 0.00 -0.01 -4.32 121.76 115.08 3iuu s ALA 449 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 3iuu s ALA 449 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3iuu s ALA 449 CO 0.00 -0.36 1.11 0.50 0.00 0.00 0.00 175.76 177.01 3iuu s ARG 450 N -1.84 4.46 -0.26 0.00 3.52 -0.43 -4.45 118.95 119.95 3iuu s ARG 450 Ca -0.09 1.61 -0.07 0.00 -0.13 0.00 0.00 55.73 57.04 3iuu s ARG 450 Cb -0.03 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3iuu s ARG 450 CO 0.02 -0.23 0.07 0.95 -0.81 0.00 0.00 175.30 175.30 3iuu s THR 451 N 1.32 4.14 -0.11 4.11 -4.23 -1.26 -0.39 115.64 119.22 3iuu s THR 451 Ca 0.55 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 3iuu s THR 451 Cb -0.25 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3iuu s THR 451 CO 0.27 0.26 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.85 3iuu s ILE 452 N 1.57 1.35 -0.23 2.99 1.01 -0.80 -4.97 121.20 122.12 3iuu s ILE 452 Ca 0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 3iuu s ILE 452 Cb -0.16 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3iuu s ILE 452 CO 0.03 0.42 0.78 -0.89 0.00 0.00 0.00 174.94 175.27 3iuu s THR 453 N 1.23 4.88 0.14 2.92 2.01 -1.26 -1.04 115.64 124.52 3iuu s THR 453 Ca -0.02 1.46 0.04 0.00 0.31 0.00 0.00 61.69 63.48 3iuu s THR 453 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3iuu s THR 453 CO -0.05 -0.03 0.14 0.68 -0.69 0.00 0.00 174.62 174.67 3iuu s VAL 454 N 2.64 4.59 -1.26 3.82 -7.23 0.04 -4.84 120.40 118.16 3iuu s VAL 454 Ca 0.33 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 3iuu s VAL 454 Cb -0.15 -3.31 0.13 0.00 0.56 0.00 0.00 36.38 33.61 3iuu s VAL 454 CO 0.08 -0.04 1.64 -0.67 -0.31 0.00 0.00 175.10 175.80 3iuu n ASP 455 N -0.14 5.03 -4.98 4.85 2.03 -1.26 -3.00 116.55 119.08 3iuu n ASP 455 Ca -0.08 -2.97 -0.20 0.00 0.52 0.00 0.00 54.79 52.06 3iuu n ASP 455 Cb 0.54 -1.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.30 3iuu n ASP 455 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3iuu s THR 456 N 2.37 4.80 0.55 5.18 -4.23 -1.26 -4.64 115.64 118.41 3iuu s THR 456 Ca 0.46 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.93 3iuu s THR 456 Cb 0.02 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 3iuu s THR 456 CO 0.02 -0.26 0.84 -2.16 -0.54 0.00 0.00 174.62 172.52 3iuu s PRO 457 N -4.05 3.04 0.00 3.99 0.04 -1.26 -3.24 135.00 133.52 3iuu s PRO 457 Ca 0.38 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3iuu s PRO 457 Cb -0.09 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3iuu s PRO 457 CO 0.30 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3iuu n GLY 458 N -2.44 0.93 0.00 0.56 0.00 -1.19 -4.15 105.19 98.89 3iuu n GLY 458 Ca 0.03 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.33 3iuu n GLY 458 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iuu n LEU 459 N 0.00 0.00 -0.03 0.99 4.77 -0.04 -2.62 117.00 120.07 3iuu n LEU 459 Ca 0.00 0.17 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3iuu n LEU 459 Cb 0.00 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3iuu n LEU 459 CO 0.00 -0.02 0.47 0.35 -1.33 0.00 0.00 177.39 176.87 3iuu n THR 460 N -1.17 1.01 -1.73 -5.08 -2.24 -0.07 -4.87 114.28 100.14 3iuu n THR 460 Ca 0.16 -1.09 -0.41 0.00 -2.27 0.00 0.00 64.05 60.45 3iuu n THR 460 Cb 0.17 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 3iuu n THR 460 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iuu n ALA 461 N -0.60 1.66 -1.67 6.98 0.00 -1.08 -4.55 120.51 121.24 3iuu n ALA 461 Ca 0.03 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 3iuu n ALA 461 Cb 0.37 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.50 3iuu n ALA 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iuu n PHE 462 N 0.04 3.15 -3.49 0.00 3.72 -1.26 -4.71 117.46 114.91 3iuu n PHE 462 Ca 0.05 -2.99 -0.27 0.00 -0.05 0.00 0.00 57.45 54.18 3iuu n PHE 462 Cb 0.39 -2.47 -0.10 0.00 -0.94 0.00 0.00 39.48 36.36 3iuu n PHE 462 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iuu n LYS 463 N 5.07 0.50 -0.34 -1.08 5.02 -1.26 -4.89 118.16 121.19 3iuu n LYS 463 Ca 0.59 -3.42 0.14 0.00 -2.02 0.00 0.00 58.31 53.60 3iuu n LYS 463 Cb 0.34 -1.79 0.36 0.00 -0.02 0.00 0.00 35.03 33.92 3iuu n LYS 463 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3iuu h PRO 464 N 5.57 0.67 0.00 1.97 0.11 -1.94 -0.92 132.00 137.46 3iuu h PRO 464 Ca 0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3iuu h PRO 464 Cb 0.88 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3iuu h PRO 464 CO 0.44 0.44 0.00 -2.39 -0.21 0.00 0.00 178.00 176.28 3iuu n HIS 465 N -4.72 0.65 0.95 0.65 1.44 -1.26 -1.77 115.22 111.17 3iuu n HIS 465 Ca 0.23 0.33 0.13 0.00 -2.01 0.00 0.00 57.72 56.40 3iuu n HIS 465 Cb 0.61 -1.03 0.44 0.00 0.12 0.00 0.00 29.99 30.13 3iuu n HIS 465 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iuu n GLN 466 N -2.16 0.03 -4.54 -1.40 10.64 -0.35 -4.86 117.38 114.74 3iuu n GLN 466 Ca -0.01 0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 54.84 3iuu n GLN 466 Cb 0.04 -1.53 -0.11 0.00 -0.86 0.00 0.00 30.24 27.79 3iuu n GLN 466 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iuu s PHE 467 N -3.02 3.00 -1.27 2.61 0.08 -0.73 -5.02 117.98 113.64 3iuu s PHE 467 Ca 0.12 0.07 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 3iuu s PHE 467 Cb 0.18 -1.72 -0.06 0.00 -0.57 0.00 0.00 43.02 40.85 3iuu s PHE 467 CO 0.61 0.38 2.37 -0.35 -0.10 0.00 0.00 175.22 178.12 3iuu n PRO 468 N 2.14 2.70 -1.98 0.24 -0.04 -1.26 -4.94 135.00 131.85 3iuu n PRO 468 Ca -0.18 -2.10 -0.41 0.00 -0.04 0.00 0.00 63.50 60.77 3iuu n PRO 468 Cb 0.53 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 31.07 3iuu n PRO 468 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iuu s PHE 469 N 3.27 2.96 0.00 0.54 0.08 -1.26 -4.90 117.98 118.67 3iuu s PHE 469 Ca 0.54 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.66 3iuu s PHE 469 Cb 0.14 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 3iuu s PHE 469 CO -0.03 -2.68 0.00 0.25 -0.10 0.00 0.00 175.22 172.66 3iuu n THR 470 N 1.95 0.00 1.02 0.64 -2.24 -1.26 -4.81 114.28 109.57 3iuu n THR 470 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3iuu n THR 470 Cb 0.40 -0.65 0.57 0.00 -2.10 0.00 0.00 70.33 68.56 3iuu n THR 470 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iuu n GLN 471 N -1.94 0.22 0.11 -0.78 10.64 -1.26 -2.51 117.38 121.87 3iuu n GLN 471 Ca 0.00 0.07 -0.03 0.00 -1.83 0.00 0.00 57.00 55.21 3iuu n GLN 471 Cb 0.00 -1.50 0.09 0.00 -0.86 0.00 0.00 30.24 27.97 3iuu n GLN 471 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3iuu h ALA 472 N 3.02 0.80 -2.26 2.61 0.00 -1.81 -3.31 119.26 118.31 3iuu h ALA 472 Ca 0.00 -0.66 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 3iuu h ALA 472 Cb 0.30 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iuu h ALA 472 CO 0.00 0.91 0.37 1.03 0.00 0.00 0.00 179.25 181.56 3iuu s ARG 473 N -3.36 3.79 0.15 0.00 0.52 -1.04 -4.33 118.95 114.67 3iuu s ARG 473 Ca -0.01 1.22 -0.28 0.00 -0.52 0.00 0.00 55.73 56.14 3iuu s ARG 473 Cb 0.12 -2.10 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 3iuu s ARG 473 CO 0.78 -0.42 0.88 -1.25 0.02 0.00 0.00 175.30 175.31 3iuu s PRO 474 N -3.55 4.68 0.02 3.54 0.04 -1.26 -5.02 135.00 133.45 3iuu s PRO 474 Ca 0.64 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 3iuu s PRO 474 Cb -0.14 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3iuu s PRO 474 CO 0.24 0.39 0.18 -0.59 0.04 0.00 0.00 177.00 177.26 3iuu s PHE 475 N -0.57 0.04 0.20 0.56 -0.12 -1.26 -4.97 117.98 111.85 3iuu s PHE 475 Ca 0.41 -0.19 -0.30 0.00 -0.05 0.00 0.00 56.93 56.81 3iuu s PHE 475 Cb -0.23 -0.03 -0.08 0.00 -0.63 0.00 0.00 43.02 42.04 3iuu s PHE 475 CO 0.28 -0.38 0.94 -0.47 -0.05 0.00 0.00 175.22 175.55 3iuu s TYR 476 N -2.06 3.93 -0.74 3.49 5.04 0.61 -0.89 117.35 126.72 3iuu s TYR 476 Ca -0.09 1.87 0.25 0.00 -2.44 0.00 0.00 57.07 56.66 3iuu s TYR 476 Cb -0.04 -2.99 0.48 0.00 0.35 0.00 0.00 41.96 39.77 3iuu s TYR 476 CO -0.01 0.39 1.43 -0.35 -1.34 0.00 0.00 175.55 175.66 3iuu n PRO 477 N 1.89 0.22 -0.10 4.97 -0.04 -1.26 -1.89 135.00 138.79 3iuu n PRO 477 Ca -0.01 0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 3iuu n PRO 477 Cb 0.48 -1.65 0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3iuu n PRO 477 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iuu h LEU 478 N 0.00 0.75 -8.42 1.53 3.38 -1.87 -3.42 115.31 107.26 3iuu h LEU 478 Ca 0.00 -0.21 -0.66 0.00 0.09 0.00 0.00 57.88 57.10 3iuu h LEU 478 Cb 0.68 -0.20 -0.32 0.00 0.09 0.00 0.00 40.66 40.92 3iuu h LEU 478 CO 0.00 0.86 -0.87 -1.81 0.09 0.00 0.00 178.44 176.71 3iuu s ASP 479 N -6.68 2.88 -0.84 -0.43 1.01 -0.07 -5.00 116.67 107.55 3iuu s ASP 479 Ca -0.09 -0.48 -0.21 0.00 0.71 0.00 0.00 52.55 52.47 3iuu s ASP 479 Cb 0.14 -0.85 0.09 0.00 1.01 0.00 0.00 42.92 43.32 3iuu s ASP 479 CO 0.82 0.22 1.13 -0.63 0.21 0.00 0.00 175.17 176.91 3iuu s ILE 480 N -0.07 4.41 0.07 0.77 -1.09 -1.26 -3.43 121.20 120.60 3iuu s ILE 480 Ca -0.05 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 3iuu s ILE 480 Cb -0.14 -4.80 -0.04 0.00 -1.58 0.00 0.00 42.46 35.91 3iuu s ILE 480 CO 0.04 -1.58 -0.02 0.68 -1.23 0.00 0.00 174.94 172.83 3iuu s VAL 481 N 3.69 3.93 -1.11 2.92 -7.23 -1.26 -5.05 120.40 116.29 3iuu s VAL 481 Ca 0.31 -0.94 -0.06 0.00 -1.81 0.00 0.00 61.98 59.48 3iuu s VAL 481 Cb -0.08 -2.84 0.28 0.00 0.56 0.00 0.00 36.38 34.30 3iuu s VAL 481 CO -0.01 0.18 1.42 0.00 -0.31 0.00 0.00 175.10 176.38 3iuu n GLN 482 N 0.80 4.12 -2.35 4.82 1.13 -1.26 -5.02 117.38 119.62 3iuu n GLN 482 Ca -0.12 -4.41 -0.38 0.00 -1.94 0.00 0.00 57.00 50.15 3iuu n GLN 482 Cb 0.52 -2.58 -0.02 0.00 0.11 0.00 0.00 30.24 28.27 3iuu n GLN 482 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3iuu s TRP 483 N -1.93 3.11 0.05 1.08 -0.00 -1.26 -5.06 118.94 114.93 3iuu s TRP 483 Ca 0.32 1.58 -0.08 0.00 -0.00 0.00 0.00 56.10 57.92 3iuu s TRP 483 Cb 0.01 -3.34 -0.00 0.00 -0.00 0.00 0.00 33.47 30.14 3iuu s TRP 483 CO 0.04 -1.16 0.15 -1.54 -0.00 0.00 0.00 176.95 174.44 3iuu s SER 484 N -1.22 0.13 -0.23 5.86 1.04 -1.26 -5.12 113.70 112.89 3iuu s SER 484 Ca 0.57 -0.53 -0.39 0.00 0.48 0.00 0.00 55.95 56.08 3iuu s SER 484 Cb -0.29 0.28 -0.15 0.00 0.10 0.00 0.00 66.02 65.96 3iuu s SER 484 CO 0.36 -0.59 1.73 0.33 0.98 0.00 0.00 173.24 176.05 3iuu n PHE 485 N 0.47 2.05 -3.12 5.02 7.35 -1.26 -4.93 117.46 123.04 3iuu n PHE 485 Ca -0.18 0.48 -0.15 0.00 -0.76 0.00 0.00 57.45 56.84 3iuu n PHE 485 Cb 0.60 -2.48 -0.05 0.00 0.35 0.00 0.00 39.48 37.90 3iuu n PHE 485 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3iuu s ALA 486 N 3.39 -0.44 0.58 3.13 0.00 -1.26 -5.14 121.76 122.01 3iuu s ALA 486 Ca 0.97 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 3iuu s ALA 486 Cb -1.02 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3iuu s ALA 486 CO 0.63 -2.12 1.02 -1.25 0.00 0.00 0.00 175.76 174.04 3iuu s PRO 487 N 0.66 3.67 0.02 0.00 0.04 -1.26 -4.77 135.00 133.35 3iuu s PRO 487 Ca 0.29 0.91 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 3iuu s PRO 487 Cb -0.01 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3iuu s PRO 487 CO -0.11 -0.51 0.35 -0.51 0.04 0.00 0.00 177.00 176.26 3iuu s LEU 488 N -4.63 4.40 -0.04 -3.56 1.43 0.07 -4.95 118.68 111.40 3iuu s LEU 488 Ca 0.58 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.50 3iuu s LEU 488 Cb -0.11 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3iuu s LEU 488 CO 0.42 0.26 -0.22 -0.70 0.23 0.00 0.00 176.35 176.34 3iuu s GLU 489 N -1.52 2.34 -0.03 1.70 2.12 -1.26 -1.03 118.70 121.02 3iuu s GLU 489 Ca 0.27 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.75 3iuu s GLU 489 Cb -0.14 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.09 3iuu s GLU 489 CO 0.15 0.53 -0.03 0.00 -0.54 0.00 0.00 175.26 175.37 3iuu n ASN 491 N 3.85 -4.56 -4.68 0.00 3.02 -1.26 -0.65 115.26 110.99 3iuu n ASN 491 Ca -0.24 -0.51 -0.44 0.00 -0.03 0.00 0.00 54.58 53.36 3iuu n ASN 491 Cb 0.52 -4.57 -0.02 0.00 -0.61 0.00 0.00 39.78 35.10 3iuu n ASN 491 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3iuu n LYS 492 N -4.26 2.09 0.00 3.52 4.81 -1.26 -4.28 118.16 118.77 3iuu n LYS 492 Ca -0.09 0.74 0.05 0.00 -0.87 0.00 0.00 58.31 58.15 3iuu n LYS 492 Cb 0.59 -2.39 0.04 0.00 0.02 0.00 0.00 35.03 33.29 3iuu n LYS 492 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85