#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iuu s LYS 2 N 0.00 0.20 0.27 2.12 2.20 -1.26 -0.72 119.74 122.55 1iuu s LYS 2 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1iuu s LYS 2 Cb 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1iuu s LYS 2 CO 0.00 -0.04 0.35 -2.37 -0.36 0.00 0.00 175.35 172.94 1iuu n THR 3 N 2.39 0.00 -0.10 3.43 5.66 -0.30 -4.94 114.28 120.42 1iuu n THR 3 Ca -0.17 -1.49 -0.18 0.00 -3.05 0.00 0.00 64.05 59.15 1iuu n THR 3 Cb 0.58 0.88 -0.08 0.00 -1.55 0.00 0.00 70.33 70.16 1iuu n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iuu n GLN 4 N -0.46 0.54 -4.06 1.09 6.02 -1.17 -4.08 117.38 115.26 1iuu n GLN 4 Ca 0.02 0.44 -0.31 0.00 -0.01 0.00 0.00 57.00 57.13 1iuu n GLN 4 Cb 0.46 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 29.93 1iuu n GLN 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1iuu s VAL 5 N -2.44 1.79 -0.05 5.09 1.01 -0.80 -0.99 120.40 124.01 1iuu s VAL 5 Ca -0.28 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 1iuu s VAL 5 Cb 0.07 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1iuu s VAL 5 CO 0.46 0.45 0.59 0.00 0.00 0.00 0.00 175.10 176.59 1iuu s ALA 6 N 1.39 3.45 -0.16 5.51 0.00 -0.46 -1.89 121.76 129.60 1iuu s ALA 6 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1iuu s ALA 6 Cb -0.13 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1iuu s ALA 6 CO -0.11 0.06 -0.20 0.42 0.00 0.00 0.00 175.76 175.93 1iuu s ILE 7 N 0.24 1.98 -0.36 0.00 1.01 0.76 -0.89 121.20 123.94 1iuu s ILE 7 Ca 0.31 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1iuu s ILE 7 Cb -0.17 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1iuu s ILE 7 CO 0.16 0.53 0.35 -0.63 0.00 0.00 0.00 174.94 175.35 1iuu s ILE 8 N 1.13 5.18 0.00 2.92 -1.09 -0.75 0.01 121.20 128.59 1iuu s ILE 8 Ca 0.00 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1iuu s ILE 8 Cb -0.14 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1iuu s ILE 8 CO -0.08 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.10 1iuu n GLY 9 N 5.01 2.80 1.93 6.18 0.00 0.18 -0.90 105.19 120.39 1iuu n GLY 9 Ca -0.09 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1iuu n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iuu n ALA 10 N 1.27 5.35 -1.61 4.61 0.00 -1.26 -4.01 120.51 124.84 1iuu n ALA 10 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1iuu n ALA 10 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1iuu n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuu n GLY 11 N -0.91 0.14 0.37 0.00 0.00 -1.26 -4.72 105.19 98.81 1iuu n GLY 11 Ca 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.70 1iuu n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iuu h PRO 12 N 0.00 1.12 0.56 1.61 0.13 -1.93 -2.26 132.00 131.22 1iuu h PRO 12 Ca 0.00 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1iuu h PRO 12 Cb 0.00 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 30.87 1iuu h PRO 12 CO 0.00 0.74 -0.35 0.77 -0.23 0.00 0.00 178.00 178.93 1iuu h SER 13 N 1.15 -0.87 -0.47 1.44 0.02 -1.92 0.51 113.55 113.41 1iuu h SER 13 Ca 0.36 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1iuu h SER 13 Cb -0.00 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1iuu h SER 13 CO -0.10 -0.54 0.30 1.23 -1.14 0.00 0.00 176.83 176.57 1iuu h GLY 14 N -0.86 0.65 0.94 -3.77 0.00 -1.67 -1.31 103.07 97.05 1iuu h GLY 14 Ca -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1iuu h GLY 14 CO 0.06 0.22 0.09 1.41 0.00 0.00 0.00 176.54 178.33 1iuu h LEU 15 N 0.61 0.62 -0.31 3.11 3.38 -1.34 0.07 115.31 121.46 1iuu h LEU 15 Ca 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1iuu h LEU 15 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1iuu h LEU 15 CO -0.05 0.70 0.14 0.25 0.09 0.00 0.00 178.44 179.57 1iuu h LEU 16 N 0.52 0.41 -0.39 1.67 5.85 -0.78 -0.72 115.31 121.86 1iuu h LEU 16 Ca 0.13 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1iuu h LEU 16 Cb 0.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1iuu h LEU 16 CO 0.00 0.44 0.20 0.25 -0.34 0.00 0.00 178.44 179.00 1iuu h LEU 17 N 0.36 0.50 -1.38 2.25 5.85 -1.19 -1.59 115.31 120.11 1iuu h LEU 17 Ca 0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1iuu h LEU 17 Cb 0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1iuu h LEU 17 CO -0.01 0.47 0.23 1.23 -0.34 0.00 0.00 178.44 180.02 1iuu h GLY 18 N 0.50 0.70 0.80 3.75 0.00 -0.79 -0.93 103.07 107.11 1iuu h GLY 18 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1iuu h GLY 18 CO -0.02 0.30 -0.32 -1.61 0.00 0.00 0.00 176.54 174.89 1iuu h GLN 19 N 0.66 0.45 -0.54 4.80 5.75 -0.76 -0.46 115.11 125.01 1iuu h GLN 19 Ca 0.17 -0.31 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1iuu h GLN 19 Cb 0.06 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1iuu h GLN 19 CO -0.02 0.92 0.33 -0.07 -2.65 0.00 0.00 178.83 177.34 1iuu h LEU 20 N 0.06 0.65 -0.44 -2.39 3.38 -1.15 -1.46 115.31 113.95 1iuu h LEU 20 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1iuu h LEU 20 Cb 0.92 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1iuu h LEU 20 CO 0.07 0.51 0.05 -0.07 0.09 0.00 0.00 178.44 179.09 1iuu h LEU 21 N 0.73 0.71 -0.13 1.67 3.38 -1.12 -2.91 115.31 117.63 1iuu h LEU 21 Ca 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1iuu h LEU 21 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1iuu h LEU 21 CO -0.04 0.80 0.08 -0.74 0.09 0.00 0.00 178.44 178.64 1iuu h HIS 22 N 0.59 0.17 -0.03 1.13 2.76 -0.85 -0.77 115.15 118.15 1iuu h HIS 22 Ca 0.13 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1iuu h HIS 22 Cb 0.41 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1iuu h HIS 22 CO 0.03 0.14 0.09 0.87 -1.30 0.00 0.00 177.93 177.76 1iuu h LYS 23 N 0.15 0.00 -0.03 5.26 1.57 -1.20 -1.15 116.57 121.17 1iuu h LYS 23 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1iuu h LYS 23 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1iuu h LYS 23 CO -0.01 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.85 1iuu n ALA 24 N -2.14 2.52 -0.29 3.86 0.00 -0.95 -4.97 120.51 118.54 1iuu n ALA 24 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1iuu n ALA 24 Cb 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1iuu n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuu n GLY 25 N 1.33 0.83 3.43 0.00 0.00 -0.44 -5.04 105.19 105.29 1iuu n GLY 25 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1iuu n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iuu s ILE 26 N -2.08 5.23 0.49 -0.61 1.01 -0.34 -5.01 121.20 119.89 1iuu s ILE 26 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 1iuu s ILE 26 Cb 0.00 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1iuu s ILE 26 CO 0.00 -0.43 1.36 -1.81 0.00 0.00 0.00 174.94 174.06 1iuu s ASP 27 N 2.08 5.67 -0.06 3.58 1.01 -1.26 -3.63 116.67 124.07 1iuu s ASP 27 Ca 0.05 2.77 -0.21 0.00 0.71 0.00 0.00 52.55 55.86 1iuu s ASP 27 Cb -0.21 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.12 1iuu s ASP 27 CO 0.08 -1.30 0.48 0.54 0.21 0.00 0.00 175.17 175.18 1iuu s ASN 28 N -0.81 -0.42 -0.03 0.27 2.20 -1.26 -1.90 114.94 112.99 1iuu s ASN 28 Ca 0.66 0.48 0.07 0.00 -0.94 0.00 0.00 52.86 53.12 1iuu s ASN 28 Cb -0.40 0.53 -0.01 0.00 -2.00 0.00 0.00 41.25 39.36 1iuu s ASN 28 CO 0.50 -0.45 -0.23 -0.69 -2.94 0.00 0.00 177.10 173.28 1iuu s VAL 29 N -0.98 1.85 -0.13 3.54 1.01 -0.79 -4.27 120.40 120.63 1iuu s VAL 29 Ca -0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1iuu s VAL 29 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1iuu s VAL 29 CO 0.06 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1iuu s ILE 30 N -0.38 3.88 -0.15 2.22 1.01 -1.00 -0.17 121.20 126.61 1iuu s ILE 30 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1iuu s ILE 30 Cb -0.11 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1iuu s ILE 30 CO 0.01 0.52 -0.09 -0.76 0.00 0.00 0.00 174.94 174.62 1iuu s LEU 31 N 0.03 2.88 -0.06 2.97 1.43 0.10 -0.52 118.68 125.51 1iuu s LEU 31 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1iuu s LEU 31 Cb -0.13 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1iuu s LEU 31 CO 0.03 0.13 -0.12 -0.70 0.23 0.00 0.00 176.35 175.92 1iuu s GLU 32 N 0.58 1.54 0.17 1.70 2.56 -0.38 0.48 118.70 125.36 1iuu s GLU 32 Ca -0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 54.97 54.41 1iuu s GLU 32 Cb -0.15 -1.31 0.07 0.00 2.00 0.00 0.00 34.13 34.74 1iuu s GLU 32 CO 0.03 0.05 1.69 -0.09 -0.56 0.00 0.00 175.26 176.38 1iuu h ARG 33 N 6.85 0.96 0.00 4.30 2.43 -1.86 0.50 114.38 127.57 1iuu h ARG 33 Ca -0.32 -0.23 -0.23 0.00 -0.81 0.00 0.00 59.98 58.39 1iuu h ARG 33 Cb 1.18 -0.13 0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1iuu h ARG 33 CO 0.48 0.87 0.10 1.04 -1.51 0.00 0.00 179.97 180.95 1iuu n GLN 34 N -4.36 0.01 -3.72 0.20 1.13 -1.26 -3.51 117.38 105.88 1iuu n GLN 34 Ca 0.03 -1.30 -0.22 0.00 -1.94 0.00 0.00 57.00 53.58 1iuu n GLN 34 Cb 0.23 -0.43 -0.01 0.00 0.11 0.00 0.00 30.24 30.14 1iuu n GLN 34 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1iuu s THR 35 N -1.72 5.06 0.26 5.09 -4.23 -1.26 -2.12 115.64 116.72 1iuu s THR 35 Ca 0.35 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 1iuu s THR 35 Cb -0.02 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1iuu s THR 35 CO 0.24 -0.38 1.79 -0.65 -0.54 0.00 0.00 174.62 175.07 1iuu h PRO 36 N 0.99 0.72 -0.68 3.99 0.11 -1.99 -1.63 132.00 133.51 1iuu h PRO 36 Ca -0.51 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 1iuu h PRO 36 Cb 1.23 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1iuu h PRO 36 CO 0.60 0.47 0.15 -0.44 -0.21 0.00 0.00 178.00 178.57 1iuu h ASP 37 N 0.74 1.04 0.05 -2.05 3.32 -1.98 -1.33 116.42 116.21 1iuu h ASP 37 Ca 0.46 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1iuu h ASP 37 Cb 0.56 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1iuu h ASP 37 CO -0.32 1.01 -0.03 0.22 -1.72 0.00 0.00 179.24 178.40 1iuu h TYR 38 N 1.03 -0.07 -0.83 4.55 5.03 -1.71 -2.15 116.97 122.82 1iuu h TYR 38 Ca 0.21 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.59 1iuu h TYR 38 Cb 0.39 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 1iuu h TYR 38 CO 0.03 0.08 0.50 0.28 -1.32 0.00 0.00 178.16 177.72 1iuu h VAL 39 N -0.20 0.99 0.00 1.81 2.07 -1.25 -0.16 116.25 119.51 1iuu h VAL 39 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1iuu h VAL 39 Cb 0.17 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1iuu h VAL 39 CO 0.01 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1iuu n LEU 40 N -4.67 0.05 0.15 2.57 4.32 -0.52 -2.89 117.00 116.00 1iuu n LEU 40 Ca 0.12 0.51 0.12 0.00 -0.02 0.00 0.00 56.01 56.75 1iuu n LEU 40 Cb 0.21 -0.50 0.24 0.00 -1.62 0.00 0.00 43.42 41.75 1iuu n LEU 40 CO 0.29 -0.24 0.72 1.23 -1.22 0.00 0.00 177.39 178.17 1iuu h GLY 41 N 2.79 0.00 -4.97 -0.72 0.00 -0.36 -3.46 103.07 96.36 1iuu h GLY 41 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1iuu h GLY 41 CO 0.00 0.00 0.82 0.50 0.00 0.00 0.00 176.54 177.86 1iuu s ARG 42 N -3.18 4.29 -0.06 4.80 0.52 -1.14 -4.96 118.95 119.22 1iuu s ARG 42 Ca 0.08 1.72 -0.05 0.00 -0.52 0.00 0.00 55.73 56.96 1iuu s ARG 42 Cb 0.09 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1iuu s ARG 42 CO 0.66 -0.59 0.23 0.82 0.02 0.00 0.00 175.30 176.44 1iuu h ILE 43 N 5.23 0.00 0.00 1.52 1.08 -1.91 -3.39 117.51 120.04 1iuu h ILE 43 Ca -0.31 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1iuu h ILE 43 Cb 1.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1iuu h ILE 43 CO 0.92 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.92 1iuu n ARG 44 N -4.37 0.00 -1.48 2.37 1.74 -1.26 -3.97 116.66 109.69 1iuu n ARG 44 Ca -0.02 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 1iuu n ARG 44 Cb 0.07 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.59 1iuu n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iuu n ALA 45 N 9.19 0.27 0.00 7.54 0.00 -1.26 -4.81 120.51 131.44 1iuu n ALA 45 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iuu n ALA 45 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1iuu n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuu n GLY 46 N 1.01 0.00 3.44 0.00 0.00 -1.26 -0.57 105.19 107.80 1iuu n GLY 46 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1iuu n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iuu s VAL 47 N -0.59 3.86 -0.05 1.61 1.01 -1.26 -1.24 120.40 123.73 1iuu s VAL 47 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1iuu s VAL 47 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1iuu s VAL 47 CO 0.00 0.44 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1iuu s LEU 48 N 0.92 2.48 0.74 3.92 1.43 0.12 -4.84 118.68 123.45 1iuu s LEU 48 Ca 0.01 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1iuu s LEU 48 Cb -0.14 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1iuu s LEU 48 CO 0.02 0.31 1.11 -1.61 0.23 0.00 0.00 176.35 176.41 1iuu s GLU 49 N -0.53 2.59 0.37 1.70 2.02 -1.26 -0.84 118.70 122.74 1iuu s GLU 49 Ca 0.07 0.42 0.07 0.00 0.02 0.00 0.00 54.97 55.55 1iuu s GLU 49 Cb -0.11 -1.99 0.71 0.00 0.10 0.00 0.00 34.13 32.83 1iuu s GLU 49 CO 0.01 -1.22 1.91 0.37 0.02 0.00 0.00 175.26 176.35 1iuu h GLN 50 N -0.79 0.40 -0.35 1.61 5.75 -1.72 -1.75 115.11 118.26 1iuu h GLN 50 Ca -0.45 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 1iuu h GLN 50 Cb 1.27 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 1iuu h GLN 50 CO 0.64 0.46 0.03 0.78 -2.65 0.00 0.00 178.83 178.08 1iuu h GLY 51 N 0.76 0.58 1.46 2.39 0.00 -1.92 -1.23 103.07 105.09 1iuu h GLY 51 Ca 0.08 -0.33 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 1iuu h GLY 51 CO 0.01 0.31 -0.85 1.98 0.00 0.00 0.00 176.54 177.99 1iuu h MET 52 N 0.52 0.51 -0.71 4.80 1.85 -1.70 -2.52 114.93 117.68 1iuu h MET 52 Ca 0.11 -0.48 -0.05 0.00 -0.61 0.00 0.00 59.70 58.68 1iuu h MET 52 Cb 0.29 0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 1iuu h MET 52 CO 0.01 1.11 0.26 0.28 -0.40 0.00 0.00 176.91 178.16 1iuu h VAL 53 N 0.32 1.25 -0.07 -5.77 2.07 -0.91 -1.66 116.25 111.47 1iuu h VAL 53 Ca -0.06 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 1iuu h VAL 53 Cb 1.47 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1iuu h VAL 53 CO 0.15 0.33 -0.55 0.44 0.02 0.00 0.00 177.57 177.96 1iuu h ASP 54 N 1.04 0.23 -0.32 0.57 3.32 -1.19 -2.64 116.42 117.44 1iuu h ASP 54 Ca 0.24 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1iuu h ASP 54 Cb 0.24 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1iuu h ASP 54 CO -0.02 0.74 -0.36 0.25 -1.72 0.00 0.00 179.24 178.13 1iuu h LEU 55 N 0.16 0.91 -0.94 1.55 5.85 -1.09 -1.10 115.31 120.64 1iuu h LEU 55 Ca 0.00 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1iuu h LEU 55 Cb 1.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1iuu h LEU 55 CO 0.08 1.17 0.20 -0.07 -0.34 0.00 0.00 178.44 179.48 1iuu h LEU 56 N 0.71 0.90 -0.42 2.25 4.07 -1.16 -0.92 115.31 120.74 1iuu h LEU 56 Ca 0.06 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 1iuu h LEU 56 Cb 0.93 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1iuu h LEU 56 CO 0.09 0.84 0.03 -0.09 -1.08 0.00 0.00 178.44 178.24 1iuu h ARG 57 N 0.94 0.72 -0.21 1.13 2.43 -1.23 -0.88 114.38 117.29 1iuu h ARG 57 Ca 0.21 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1iuu h ARG 57 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1iuu h ARG 57 CO -0.01 0.78 0.03 1.49 -1.51 0.00 0.00 179.97 180.75 1iuu h GLU 58 N 0.56 0.29 -0.00 0.20 4.81 -0.72 0.11 114.58 119.83 1iuu h GLU 58 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1iuu h GLU 58 Cb 0.43 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1iuu h GLU 58 CO 0.01 0.29 -0.05 0.00 -0.73 0.00 0.00 179.01 178.54 1iuu n ALA 59 N -2.50 2.61 -1.42 2.92 0.00 -0.39 -4.91 120.51 116.82 1iuu n ALA 59 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1iuu n ALA 59 Cb 0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 1iuu n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuu n GLY 60 N 1.28 0.70 2.71 0.00 0.00 0.38 -4.88 105.19 105.37 1iuu n GLY 60 Ca 0.14 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1iuu n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iuu n VAL 61 N -3.10 2.78 0.00 1.61 0.24 -0.40 -4.73 118.33 114.73 1iuu n VAL 61 Ca -0.07 -5.26 0.00 0.00 -2.04 0.00 0.00 64.34 56.98 1iuu n VAL 61 Cb 0.30 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 1iuu n VAL 61 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iuu n ASP 62 N -0.37 1.06 0.21 -1.34 5.75 -1.25 -4.76 116.55 115.85 1iuu n ASP 62 Ca 0.35 -1.06 -0.17 0.00 -0.01 0.00 0.00 54.79 53.91 1iuu n ASP 62 Cb 0.52 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 1iuu n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1iuu h ARG 63 N 0.01 -0.85 -0.51 0.11 2.43 -1.95 0.11 114.38 113.73 1iuu h ARG 63 Ca 0.00 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1iuu h ARG 63 Cb 0.03 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1iuu h ARG 63 CO 0.00 -0.57 0.16 0.00 -1.51 0.00 0.00 179.97 178.05 1iuu h ARG 64 N -0.89 0.76 -0.55 0.20 3.08 -1.99 -2.51 114.38 112.48 1iuu h ARG 64 Ca -0.04 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1iuu h ARG 64 Cb 0.81 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1iuu h ARG 64 CO -0.16 0.66 -0.02 1.98 -1.07 0.00 0.00 179.97 181.37 1iuu h MET 65 N 0.74 0.97 0.00 0.04 4.05 -1.76 0.12 114.93 119.09 1iuu h MET 65 Ca 0.17 -0.30 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 1iuu h MET 65 Cb 0.22 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1iuu h MET 65 CO -0.01 0.96 -0.29 0.00 0.23 0.00 0.00 176.91 177.81 1iuu h ALA 66 N 1.08 1.27 0.00 0.39 0.00 -0.38 0.92 119.26 122.55 1iuu h ALA 66 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1iuu h ALA 66 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1iuu h ALA 66 CO 0.03 0.36 -0.31 -0.09 0.00 0.00 0.00 179.25 179.24 1iuu h ARG 67 N 0.00 0.00 0.00 0.00 2.43 -1.04 -3.41 114.38 112.37 1iuu h ARG 67 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iuu h ARG 67 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1iuu h ARG 67 CO 0.04 0.81 -1.35 -0.25 -1.51 0.00 0.00 179.97 177.70 1iuu n ASP 68 N -4.59 0.56 -4.77 -3.80 8.00 0.39 -4.97 116.55 107.38 1iuu n ASP 68 Ca -0.13 0.22 -0.37 0.00 0.71 0.00 0.00 54.79 55.21 1iuu n ASP 68 Cb 0.45 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1iuu n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1iuu s GLY 69 N -4.43 2.80 -0.21 0.44 0.00 0.32 -4.97 107.32 101.26 1iuu s GLY 69 Ca -0.03 1.01 -0.07 0.00 0.00 0.00 0.00 44.72 45.63 1iuu s GLY 69 CO 0.83 1.47 0.05 1.08 0.00 0.00 0.00 173.10 176.54 1iuu s LEU 70 N -3.13 3.55 -0.19 0.66 1.02 -0.66 -4.93 118.68 114.99 1iuu s LEU 70 Ca 0.65 -0.10 -0.20 0.00 0.02 0.00 0.00 54.13 54.51 1iuu s LEU 70 Cb -0.31 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1iuu s LEU 70 CO 0.37 0.06 0.57 -0.69 0.02 0.00 0.00 176.35 176.68 1iuu s VAL 71 N 1.03 5.08 -0.14 -1.59 1.01 -1.26 -0.57 120.40 123.96 1iuu s VAL 71 Ca 0.04 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 1iuu s VAL 71 Cb -0.14 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1iuu s VAL 71 CO 0.03 0.17 -0.02 -1.00 0.00 0.00 0.00 175.10 174.28 1iuu s HIS 72 N 1.61 3.08 -1.78 5.22 3.76 0.27 -4.99 115.29 122.47 1iuu s HIS 72 Ca 0.27 -0.11 0.18 0.00 -0.15 0.00 0.00 55.06 55.25 1iuu s HIS 72 Cb -0.16 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.64 1iuu s HIS 72 CO 0.10 0.13 0.95 0.39 -0.85 0.00 0.00 174.74 175.47 1iuu n GLU 73 N 3.14 1.58 -3.87 1.40 1.02 -1.26 -2.58 120.64 120.06 1iuu n GLU 73 Ca -0.18 -1.04 -0.09 0.00 -0.02 0.00 0.00 57.16 55.83 1iuu n GLU 73 Cb 0.53 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1iuu n GLU 73 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1iuu s GLY 74 N -1.92 0.44 -0.04 0.62 0.00 -1.26 -1.12 107.32 104.04 1iuu s GLY 74 Ca 0.16 -0.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.86 1iuu s GLY 74 CO 0.39 -0.38 0.53 0.54 0.00 0.00 0.00 173.10 174.18 1iuu s VAL 75 N -2.84 0.02 0.12 1.40 0.11 -1.00 -4.53 120.40 113.68 1iuu s VAL 75 Ca 0.17 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1iuu s VAL 75 Cb -0.04 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1iuu s VAL 75 CO 0.12 -0.10 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.15 1iuu s GLU 76 N -1.18 2.39 -0.09 1.54 2.02 -0.09 -0.94 118.70 122.36 1iuu s GLU 76 Ca -0.11 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1iuu s GLU 76 Cb -0.02 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1iuu s GLU 76 CO 0.07 0.51 -0.07 0.42 0.02 0.00 0.00 175.26 176.21 1iuu s ILE 77 N -1.40 0.88 -0.11 -1.63 1.01 -0.09 -0.99 121.20 118.88 1iuu s ILE 77 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1iuu s ILE 77 Cb -0.11 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1iuu s ILE 77 CO 0.17 0.33 -0.08 0.00 0.00 0.00 0.00 174.94 175.36 1iuu s ALA 78 N 1.47 2.87 -0.09 9.38 0.00 0.51 -0.91 121.76 135.00 1iuu s ALA 78 Ca -0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1iuu s ALA 78 Cb -0.13 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.75 1iuu s ALA 78 CO -0.05 0.36 0.73 -0.59 0.00 0.00 0.00 175.76 176.21 1iuu s PHE 79 N -0.08 -0.63 -1.41 0.00 -0.71 -0.62 -0.37 117.98 114.16 1iuu s PHE 79 Ca 0.00 1.14 -0.10 0.00 -1.04 0.00 0.00 56.93 56.93 1iuu s PHE 79 Cb -0.13 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 1iuu s PHE 79 CO 0.03 -0.55 0.31 0.00 -1.34 0.00 0.00 175.22 173.67 1iuu n ALA 80 N 1.06 -2.19 -2.69 1.99 0.00 -1.26 -1.56 120.51 115.86 1iuu n ALA 80 Ca -0.17 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 1iuu n ALA 80 Cb 0.57 -1.62 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1iuu n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iuu n GLY 81 N -2.27 -0.36 3.34 0.00 0.00 -1.26 -5.00 105.19 99.64 1iuu n GLY 81 Ca -0.26 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1iuu n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iuu s GLN 82 N -5.28 0.82 -0.10 1.61 -2.07 -0.60 -5.14 119.66 108.90 1iuu s GLN 82 Ca 0.16 -0.06 0.03 0.00 -1.82 0.00 0.00 55.36 53.67 1iuu s GLN 82 Cb -0.07 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.22 1iuu s GLN 82 CO 0.20 -0.25 -0.21 1.03 -1.32 0.00 0.00 175.29 174.74 1iuu s ARG 83 N -1.40 3.00 -0.08 9.60 0.52 -1.26 -1.59 118.95 127.74 1iuu s ARG 83 Ca -0.12 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1iuu s ARG 83 Cb -0.03 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1iuu s ARG 83 CO 0.05 0.25 -0.19 1.03 0.02 0.00 0.00 175.30 176.47 1iuu s ARG 84 N 0.19 2.41 -0.21 3.54 1.81 -0.08 -4.97 118.95 121.64 1iuu s ARG 84 Ca -0.12 -0.68 -0.10 0.00 -1.72 0.00 0.00 55.73 53.10 1iuu s ARG 84 Cb -0.16 -1.89 -0.05 0.00 -0.45 0.00 0.00 34.95 32.39 1iuu s ARG 84 CO 0.07 0.14 0.13 0.50 -0.68 0.00 0.00 175.30 175.46 1iuu s ARG 85 N 0.41 4.13 -0.33 3.54 3.52 -1.26 -0.91 118.95 128.06 1iuu s ARG 85 Ca -0.15 -0.25 -0.14 0.00 -0.13 0.00 0.00 55.73 55.06 1iuu s ARG 85 Cb -0.16 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1iuu s ARG 85 CO 0.06 0.22 0.30 0.42 -0.81 0.00 0.00 175.30 175.50 1iuu s ILE 86 N 0.58 5.23 -0.87 4.11 1.01 -0.11 -4.97 121.20 126.16 1iuu s ILE 86 Ca 0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1iuu s ILE 86 Cb -0.12 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1iuu s ILE 86 CO 0.00 -0.01 1.27 -0.62 0.00 0.00 0.00 174.94 175.57 1iuu s ASP 87 N 1.73 6.38 0.13 3.58 -1.08 -1.26 -2.36 116.67 123.78 1iuu s ASP 87 Ca 0.09 -1.23 -0.19 0.00 -0.52 0.00 0.00 52.55 50.70 1iuu s ASP 87 Cb -0.17 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.75 1iuu s ASP 87 CO 0.11 -1.50 1.75 -0.07 0.52 0.00 0.00 175.17 175.98 1iuu h LEU 88 N 12.17 0.08 -0.14 -1.34 3.38 -1.45 -1.36 115.31 126.65 1iuu h LEU 88 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1iuu h LEU 88 Cb 1.03 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1iuu h LEU 88 CO 1.29 0.08 -0.07 0.50 0.09 0.00 0.00 178.44 180.32 1iuu h LYS 89 N 0.18 -0.06 0.22 1.13 3.64 -1.42 0.11 116.57 120.37 1iuu h LYS 89 Ca 0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1iuu h LYS 89 Cb 0.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1iuu h LYS 89 CO -0.10 -0.04 -0.11 -0.09 -2.27 0.00 0.00 179.45 176.84 1iuu h ARG 90 N -0.06 -0.28 0.00 1.90 1.12 -1.83 0.87 114.38 116.10 1iuu h ARG 90 Ca 0.08 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 1iuu h ARG 90 Cb 0.18 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1iuu h ARG 90 CO -0.18 0.01 -0.12 -0.07 -3.11 0.00 0.00 179.97 176.51 1iuu h LEU 91 N -0.58 0.00 -1.94 3.80 -0.00 -1.17 -2.86 115.31 112.56 1iuu h LEU 91 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1iuu h LEU 91 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1iuu h LEU 91 CO 0.05 0.12 0.00 -1.54 -0.00 0.00 0.00 178.44 177.06 1iuu n SER 92 N -3.31 2.99 -0.23 -0.43 3.41 0.38 -4.74 113.62 111.69 1iuu n SER 92 Ca -0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1iuu n SER 92 Cb 0.34 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1iuu n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iuu n GLY 93 N 1.33 0.85 0.00 5.00 0.00 -1.08 -4.41 105.19 106.88 1iuu n GLY 93 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1iuu n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iuu n GLY 94 N -0.66 0.54 3.91 -0.02 0.00 0.30 -5.03 105.19 104.23 1iuu n GLY 94 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1iuu n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iuu s LYS 95 N -0.90 3.56 0.31 1.61 1.02 -1.26 -4.91 119.74 119.17 1iuu s LYS 95 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.20 1iuu s LYS 95 Cb 0.00 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1iuu s LYS 95 CO 0.00 -0.13 0.30 0.25 -0.92 0.00 0.00 175.35 174.85 1iuu n THR 96 N -2.05 0.00 -4.25 2.17 -2.24 -1.26 -3.08 114.28 103.58 1iuu n THR 96 Ca -0.00 -2.12 -0.16 0.00 -2.27 0.00 0.00 64.05 59.50 1iuu n THR 96 Cb 0.55 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 1iuu n THR 96 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1iuu s VAL 97 N -3.15 1.28 -0.09 2.28 -7.23 -1.07 -4.10 120.40 108.32 1iuu s VAL 97 Ca 0.35 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1iuu s VAL 97 Cb 0.01 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1iuu s VAL 97 CO 0.25 -0.56 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.41 1iuu s THR 98 N -2.65 2.67 -0.37 5.32 2.01 -0.02 -0.57 115.64 122.03 1iuu s THR 98 Ca 0.12 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 1iuu s THR 98 Cb -0.02 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1iuu s THR 98 CO 0.02 0.56 0.34 -0.69 -0.69 0.00 0.00 174.62 174.16 1iuu s VAL 99 N -0.01 5.20 -0.25 3.82 1.01 0.26 0.16 120.40 130.59 1iuu s VAL 99 Ca -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1iuu s VAL 99 Cb -0.15 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.50 1iuu s VAL 99 CO 0.05 -0.18 0.50 -0.47 0.00 0.00 0.00 175.10 175.00 1iuu s TYR 100 N 1.91 -1.09 0.56 5.22 5.04 -0.38 -1.66 117.35 126.96 1iuu s TYR 100 Ca 0.09 1.64 -0.20 0.00 -2.44 0.00 0.00 57.07 56.16 1iuu s TYR 100 Cb -0.17 0.43 -0.06 0.00 0.35 0.00 0.00 41.96 42.50 1iuu s TYR 100 CO 0.11 -0.65 1.00 0.41 -1.34 0.00 0.00 175.55 175.08 1iuu n GLY 101 N 5.41 -0.23 0.31 8.97 0.00 -1.26 -4.57 105.19 113.82 1iuu n GLY 101 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1iuu n GLY 101 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1iuu h GLN 102 N 0.78 0.75 -0.77 1.61 4.15 -1.00 -1.42 115.11 119.20 1iuu h GLN 102 Ca -0.48 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 58.88 1iuu h GLN 102 Cb 1.35 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1iuu h GLN 102 CO 0.52 0.58 0.50 1.15 -1.93 0.00 0.00 178.83 179.65 1iuu h THR 103 N 0.75 1.13 -0.33 2.39 2.02 -1.76 -0.65 112.91 116.45 1iuu h THR 103 Ca 0.19 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 1iuu h THR 103 Cb 0.08 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1iuu h THR 103 CO -0.03 0.18 -0.13 -0.33 0.37 0.00 0.00 175.52 175.58 1iuu h GLU 104 N 0.98 0.68 -0.72 6.66 3.07 -1.65 -1.56 114.58 122.04 1iuu h GLU 104 Ca 0.30 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1iuu h GLU 104 Cb -0.02 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1iuu h GLU 104 CO -0.10 0.87 0.45 0.28 -1.40 0.00 0.00 179.01 179.11 1iuu h VAL 105 N 0.45 1.19 -0.57 3.13 2.07 -1.03 -0.78 116.25 120.72 1iuu h VAL 105 Ca 0.08 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1iuu h VAL 105 Cb 0.65 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1iuu h VAL 105 CO 0.04 0.19 0.05 0.74 0.02 0.00 0.00 177.57 178.62 1iuu h THR 106 N 0.97 1.25 -0.49 2.57 2.02 -1.00 -1.63 112.91 116.60 1iuu h THR 106 Ca 0.26 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1iuu h THR 106 Cb -0.07 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1iuu h THR 106 CO -0.05 0.37 0.09 -0.09 0.37 0.00 0.00 175.52 176.21 1iuu h ARG 107 N 0.88 0.81 -0.63 6.66 2.43 -0.87 -1.06 114.38 122.59 1iuu h ARG 107 Ca 0.17 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1iuu h ARG 107 Cb 0.45 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1iuu h ARG 107 CO 0.02 0.80 0.31 -0.44 -1.51 0.00 0.00 179.97 179.15 1iuu h ASP 108 N 0.68 0.82 -0.40 -3.80 3.32 -0.84 -1.97 116.42 114.24 1iuu h ASP 108 Ca 0.15 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1iuu h ASP 108 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1iuu h ASP 108 CO 0.01 0.72 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.12 1iuu h LEU 109 N 0.87 0.73 -0.67 1.55 3.38 -1.13 -1.84 115.31 118.20 1iuu h LEU 109 Ca 0.22 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1iuu h LEU 109 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1iuu h LEU 109 CO -0.03 0.90 0.34 0.24 0.09 0.00 0.00 178.44 179.97 1iuu h MET 110 N 0.55 0.96 -0.50 1.13 2.86 -1.02 0.08 114.93 118.99 1iuu h MET 110 Ca 0.11 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1iuu h MET 110 Cb 0.55 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1iuu h MET 110 CO 0.03 0.76 -0.11 0.93 1.06 0.00 0.00 176.91 179.58 1iuu h GLU 111 N 0.93 0.93 -0.58 1.72 5.08 -1.33 -1.86 114.58 119.47 1iuu h GLU 111 Ca 0.23 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1iuu h GLU 111 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1iuu h GLU 111 CO -0.03 0.99 0.15 0.00 -1.00 0.00 0.00 179.01 179.11 1iuu h ALA 112 N 1.03 0.76 -0.49 3.43 0.00 -0.89 -2.20 119.26 120.91 1iuu h ALA 112 Ca 0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1iuu h ALA 112 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iuu h ALA 112 CO 0.04 0.46 -0.16 -0.09 0.00 0.00 0.00 179.25 179.50 1iuu h ARG 113 N 0.83 0.97 -0.51 0.00 2.43 -0.83 -2.69 114.38 114.59 1iuu h ARG 113 Ca 0.18 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1iuu h ARG 113 Cb 0.34 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1iuu h ARG 113 CO 0.00 1.07 0.17 1.49 -1.51 0.00 0.00 179.97 181.19 1iuu h GLU 114 N 0.83 0.79 -0.36 0.20 4.81 -1.25 -2.30 114.58 117.29 1iuu h GLU 114 Ca 0.12 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1iuu h GLU 114 Cb 0.74 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1iuu h GLU 114 CO 0.06 0.72 0.15 0.00 -0.73 0.00 0.00 179.01 179.21 1iuu h ALA 115 N 1.03 1.58 -0.00 2.92 0.00 -1.31 -0.77 119.26 122.70 1iuu h ALA 115 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iuu h ALA 115 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iuu h ALA 115 CO -0.01 0.33 -0.13 0.00 0.00 0.00 0.00 179.25 179.44 1iuu n GLY 117 N 1.49 0.76 3.80 0.00 0.00 -0.29 -5.02 105.19 105.93 1iuu n GLY 117 Ca 0.07 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1iuu n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iuu s ALA 118 N -2.39 2.64 0.07 4.61 0.00 -1.10 -4.98 121.76 120.61 1iuu s ALA 118 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 1iuu s ALA 118 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1iuu s ALA 118 CO 0.00 -1.09 1.10 0.99 0.00 0.00 0.00 175.76 176.76 1iuu s THR 119 N -2.68 4.27 -0.05 0.00 2.01 -1.26 -4.82 115.64 113.11 1iuu s THR 119 Ca 0.62 1.70 -0.02 0.00 0.31 0.00 0.00 61.69 64.29 1iuu s THR 119 Cb -0.16 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.30 1iuu s THR 119 CO 0.45 0.17 0.10 -0.89 -0.69 0.00 0.00 174.62 173.76 1iuu s THR 120 N 0.74 -0.15 -0.39 -0.82 2.01 -1.26 -2.36 115.64 113.41 1iuu s THR 120 Ca 0.54 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 1iuu s THR 120 Cb -0.27 -0.20 0.08 0.00 0.01 0.00 0.00 72.50 72.13 1iuu s THR 120 CO 0.30 0.15 0.18 -0.69 -0.69 0.00 0.00 174.62 173.87 1iuu s VAL 121 N 1.98 3.68 0.57 3.82 1.01 0.32 -4.97 120.40 126.81 1iuu s VAL 121 Ca 0.01 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.34 1iuu s VAL 121 Cb -0.12 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1iuu s VAL 121 CO -0.04 -0.46 0.93 -0.31 0.00 0.00 0.00 175.10 175.22 1iuu s TYR 122 N 1.31 3.55 -1.43 5.22 2.02 -1.26 -1.24 117.35 125.52 1iuu s TYR 122 Ca 0.03 1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 57.70 1iuu s TYR 122 Cb -0.22 -2.59 0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1iuu s TYR 122 CO -0.00 -0.58 0.56 1.04 -1.57 0.00 0.00 175.55 174.99 1iuu n GLN 123 N -2.57 -4.26 -2.63 -0.62 6.02 0.06 -4.87 117.38 108.51 1iuu n GLN 123 Ca 0.04 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.32 1iuu n GLN 123 Cb 0.55 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.27 1iuu n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iuu s ALA 124 N -3.07 2.95 0.30 -1.58 0.00 -0.56 -4.68 121.76 115.12 1iuu s ALA 124 Ca 0.35 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1iuu s ALA 124 Cb -0.17 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 1iuu s ALA 124 CO 0.43 -2.84 0.61 0.00 0.00 0.00 0.00 175.76 173.96 1iuu s ALA 125 N 5.00 3.53 -1.36 0.00 0.00 0.05 -4.00 121.76 124.98 1iuu s ALA 125 Ca 0.37 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 1iuu s ALA 125 Cb -0.09 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1iuu s ALA 125 CO 0.20 0.28 0.47 0.39 0.00 0.00 0.00 175.76 177.10 1iuu n GLU 126 N -0.73 -2.87 -1.94 0.00 4.71 -1.26 -0.38 120.64 118.16 1iuu n GLU 126 Ca 0.00 0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 57.13 1iuu n GLU 126 Cb 0.53 -4.39 -0.02 0.00 -1.01 0.00 0.00 31.44 26.55 1iuu n GLU 126 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1iuu s VAL 127 N -3.89 2.54 0.02 2.62 1.01 -1.26 -4.47 120.40 116.98 1iuu s VAL 127 Ca 0.08 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1iuu s VAL 127 Cb -0.03 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1iuu s VAL 127 CO 0.89 0.06 -0.12 -0.13 0.00 0.00 0.00 175.10 175.79 1iuu s ARG 128 N 0.15 0.88 -0.09 2.72 1.81 -0.09 -4.96 118.95 119.37 1iuu s ARG 128 Ca 0.64 -0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 54.02 1iuu s ARG 128 Cb -0.44 -0.86 -0.03 0.00 -0.45 0.00 0.00 34.95 33.18 1iuu s ARG 128 CO 0.40 0.22 -0.04 -0.51 -0.68 0.00 0.00 175.30 174.69 1iuu s LEU 129 N -0.83 3.34 0.08 2.53 1.02 -1.26 -1.38 118.68 122.17 1iuu s LEU 129 Ca 0.02 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1iuu s LEU 129 Cb -0.07 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1iuu s LEU 129 CO 0.01 0.34 -0.09 -1.00 0.02 0.00 0.00 176.35 175.63 1iuu s HIS 130 N -0.64 0.89 -1.51 0.29 3.76 -0.27 -4.88 115.29 112.92 1iuu s HIS 130 Ca 0.10 -0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 54.28 1iuu s HIS 130 Cb -0.12 -0.51 0.06 0.00 1.11 0.00 0.00 32.58 33.13 1iuu s HIS 130 CO 0.02 -0.07 0.60 -0.25 -0.85 0.00 0.00 174.74 174.19 1iuu n ASP 131 N 0.76 -1.72 0.17 1.40 9.92 -1.26 -2.13 116.55 123.69 1iuu n ASP 131 Ca -0.18 -0.98 0.18 0.00 -0.53 0.00 0.00 54.79 53.28 1iuu n ASP 131 Cb 0.57 -3.06 0.80 0.00 -0.64 0.00 0.00 41.12 38.79 1iuu n ASP 131 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1iuu h LEU 132 N -1.76 0.00 -1.25 0.64 3.38 -1.93 -1.00 115.31 113.39 1iuu h LEU 132 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1iuu h LEU 132 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1iuu h LEU 132 CO 0.68 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.96 1iuu n GLN 133 N -3.81 1.60 -1.63 1.13 6.02 -1.26 -0.75 117.38 118.67 1iuu n GLN 133 Ca 0.03 -1.19 -0.30 0.00 -0.01 0.00 0.00 57.00 55.53 1iuu n GLN 133 Cb 0.40 -1.37 0.20 0.00 1.02 0.00 0.00 30.24 30.49 1iuu n GLN 133 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1iuu s GLY 134 N -1.96 1.70 0.00 1.08 0.00 -0.38 -4.95 107.32 102.81 1iuu s GLY 134 Ca 0.18 -1.07 0.26 0.00 0.00 0.00 0.00 44.72 44.10 1iuu s GLY 134 CO 0.39 -0.28 1.55 -1.84 0.00 0.00 0.00 173.10 172.92 1iuu n GLU 135 N -4.09 0.00 -3.47 2.90 0.28 -1.26 -4.44 120.64 110.56 1iuu n GLU 135 Ca 0.14 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.87 1iuu n GLU 135 Cb 0.59 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.87 1iuu n GLU 135 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1iuu n ARG 136 N -1.51 0.98 -1.43 3.44 1.74 -1.26 -4.91 116.66 113.71 1iuu n ARG 136 Ca 0.06 -3.68 -0.30 0.00 -0.77 0.00 0.00 57.85 53.16 1iuu n ARG 136 Cb 0.34 -1.79 0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1iuu n ARG 136 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1iuu s PRO 137 N -0.90 1.99 0.13 5.56 0.04 -1.25 -4.88 135.00 135.70 1iuu s PRO 137 Ca 0.32 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1iuu s PRO 137 Cb 0.06 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1iuu s PRO 137 CO -0.15 -1.72 0.35 1.52 0.04 0.00 0.00 177.00 177.04 1iuu s TYR 138 N -3.06 -0.02 -0.03 0.56 1.13 -0.90 -2.74 117.35 112.30 1iuu s TYR 138 Ca 0.61 -0.34 0.06 0.00 -1.41 0.00 0.00 57.07 55.99 1iuu s TYR 138 Cb -0.16 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 1iuu s TYR 138 CO 0.55 -0.70 -0.21 0.08 -2.51 0.00 0.00 175.55 172.76 1iuu s VAL 139 N -3.85 1.68 0.08 -3.49 1.01 0.30 -1.11 120.40 115.02 1iuu s VAL 139 Ca 0.07 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1iuu s VAL 139 Cb 0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1iuu s VAL 139 CO -0.08 0.47 -0.26 0.42 0.00 0.00 0.00 175.10 175.65 1iuu s THR 140 N -0.34 2.25 0.28 3.92 -4.23 -0.48 0.20 115.64 117.24 1iuu s THR 140 Ca 0.04 -1.54 -0.13 0.00 -1.18 0.00 0.00 61.69 58.87 1iuu s THR 140 Cb -0.10 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1iuu s THR 140 CO 0.00 0.24 0.56 0.72 -0.54 0.00 0.00 174.62 175.60 1iuu s PHE 141 N -0.93 0.33 -0.06 3.99 -0.71 -0.57 -0.91 117.98 119.11 1iuu s PHE 141 Ca 0.13 -0.73 0.06 0.00 -1.04 0.00 0.00 56.93 55.35 1iuu s PHE 141 Cb -0.10 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 1iuu s PHE 141 CO 0.04 -1.13 -0.24 -1.21 -1.34 0.00 0.00 175.22 171.34 1iuu s GLU 142 N -3.66 2.52 -0.10 1.99 2.02 0.49 -0.18 118.70 121.78 1iuu s GLU 142 Ca 0.21 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.32 1iuu s GLU 142 Cb -0.02 -2.11 0.02 0.00 0.10 0.00 0.00 34.13 32.12 1iuu s GLU 142 CO 0.10 0.34 -0.07 0.50 0.02 0.00 0.00 175.26 176.15 1iuu s ARG 143 N -0.08 1.45 -1.59 1.61 3.52 -0.94 -0.77 118.95 122.15 1iuu s ARG 143 Ca -0.05 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1iuu s ARG 143 Cb -0.14 -1.49 0.04 0.00 -1.56 0.00 0.00 34.95 31.80 1iuu s ARG 143 CO 0.04 -0.23 0.17 -0.40 -0.81 0.00 0.00 175.30 174.07 1iuu n ASP 144 N 4.80 0.24 0.00 -2.12 5.68 -1.26 -1.99 116.55 121.89 1iuu n ASP 144 Ca -0.14 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 1iuu n ASP 144 Cb 0.50 -1.82 0.00 0.00 -1.14 0.00 0.00 41.12 38.66 1iuu n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iuu n GLY 145 N -2.24 2.90 3.77 6.12 0.00 -1.26 -5.04 105.19 109.44 1iuu n GLY 145 Ca -0.25 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1iuu n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iuu s GLU 146 N 0.00 4.01 -0.29 1.61 -1.05 -0.84 -5.06 118.70 117.08 1iuu s GLU 146 Ca 0.00 -0.02 -0.26 0.00 -0.15 0.00 0.00 54.97 54.54 1iuu s GLU 146 Cb 0.00 -3.35 0.01 0.00 -0.44 0.00 0.00 34.13 30.35 1iuu s GLU 146 CO 0.00 0.43 0.92 0.50 0.95 0.00 0.00 175.26 178.06 1iuu s ARG 147 N -0.07 4.06 0.22 -4.83 6.06 -1.26 -2.21 118.95 120.91 1iuu s ARG 147 Ca 0.14 0.88 0.07 0.00 -2.50 0.00 0.00 55.73 54.33 1iuu s ARG 147 Cb -0.13 -3.71 -0.04 0.00 0.06 0.00 0.00 34.95 31.13 1iuu s ARG 147 CO 0.03 -0.73 0.08 -0.51 -2.50 0.00 0.00 175.30 171.67 1iuu s LEU 148 N 3.21 3.52 -0.06 -0.88 1.43 0.75 -4.95 118.68 121.70 1iuu s LEU 148 Ca 0.38 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1iuu s LEU 148 Cb -0.14 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1iuu s LEU 148 CO 0.12 0.03 -0.24 -0.60 0.23 0.00 0.00 176.35 175.89 1iuu s ARG 149 N -3.42 2.53 -0.15 1.70 3.52 -1.26 -1.51 118.95 120.36 1iuu s ARG 149 Ca 0.31 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 1iuu s ARG 149 Cb -0.08 -2.19 0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1iuu s ARG 149 CO 0.22 0.42 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.76 1iuu s LEU 150 N -0.24 2.03 -0.00 -0.88 2.96 0.13 -3.26 118.68 119.41 1iuu s LEU 150 Ca -0.01 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 1iuu s LEU 150 Cb -0.13 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 1iuu s LEU 150 CO 0.03 0.03 0.30 -1.81 -1.32 0.00 0.00 176.35 173.58 1iuu s ASP 151 N 1.09 6.58 0.33 3.68 1.01 0.10 -0.54 116.67 128.93 1iuu s ASP 151 Ca -0.01 0.68 -0.09 0.00 0.71 0.00 0.00 52.55 53.84 1iuu s ASP 151 Cb -0.14 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1iuu s ASP 151 CO -0.07 0.28 0.58 0.00 0.21 0.00 0.00 175.17 176.17 1iuu n ASP 153 N -1.13 2.02 -4.08 0.00 8.00 -0.16 -3.79 116.55 117.41 1iuu n ASP 153 Ca -0.02 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 1iuu n ASP 153 Cb 0.61 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 1iuu n ASP 153 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1iuu s TYR 154 N -2.54 0.55 -0.08 1.24 2.02 -1.07 -4.66 117.35 112.81 1iuu s TYR 154 Ca -0.28 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.57 1iuu s TYR 154 Cb 0.08 -0.37 0.01 0.00 -0.40 0.00 0.00 41.96 41.28 1iuu s TYR 154 CO 0.69 -0.27 -0.15 0.42 -1.57 0.00 0.00 175.55 174.67 1iuu s ILE 155 N -3.13 1.34 -0.27 2.71 1.01 0.32 -1.36 121.20 121.82 1iuu s ILE 155 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1iuu s ILE 155 Cb 0.02 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1iuu s ILE 155 CO -0.06 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.28 1iuu s ALA 156 N 0.63 2.88 -0.63 9.38 0.00 -0.07 -1.17 121.76 132.78 1iuu s ALA 156 Ca -0.15 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.14 1iuu s ALA 156 Cb -0.16 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.11 1iuu s ALA 156 CO 0.04 -0.82 1.06 0.20 0.00 0.00 0.00 175.76 176.25 1iuu s GLY 157 N 1.42 1.23 -0.30 0.00 0.00 0.10 -1.81 107.32 107.97 1iuu s GLY 157 Ca 0.02 -1.41 0.07 0.00 0.00 0.00 0.00 44.72 43.40 1iuu s GLY 157 CO -0.01 2.26 1.21 0.00 0.00 0.00 0.00 173.10 176.55 1iuu n ASP 159 N -0.73 4.93 -1.01 0.00 5.75 -0.87 -4.28 116.55 120.33 1iuu n ASP 159 Ca 0.44 -3.22 0.11 0.00 -0.01 0.00 0.00 54.79 52.11 1iuu n ASP 159 Cb 0.95 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1iuu n ASP 159 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iuu n GLY 160 N -0.12 -1.80 0.34 6.12 0.00 -1.26 -2.36 105.19 106.11 1iuu n GLY 160 Ca 0.42 -1.21 0.09 0.00 0.00 0.00 0.00 46.02 45.31 1iuu n GLY 160 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iuu h PHE 161 N -0.77 0.53 -0.60 1.61 3.57 -1.83 -2.40 116.94 117.05 1iuu h PHE 161 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iuu h PHE 161 Cb 0.76 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1iuu h PHE 161 CO 0.00 0.27 0.00 0.72 -2.23 0.00 0.00 178.31 177.07 1iuu n HIS 162 N -4.48 1.81 -1.29 0.41 8.25 -1.26 -4.95 115.22 113.71 1iuu n HIS 162 Ca 0.09 -0.66 -0.29 0.00 -0.26 0.00 0.00 57.72 56.60 1iuu n HIS 162 Cb 0.27 -0.40 0.16 0.00 1.12 0.00 0.00 29.99 31.15 1iuu n HIS 162 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1iuu s GLY 163 N -0.81 1.57 0.09 -1.41 0.00 -0.90 -4.98 107.32 100.88 1iuu s GLY 163 Ca 0.52 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.94 1iuu s GLY 163 CO 0.19 0.19 1.10 1.19 0.00 0.00 0.00 173.10 175.77 1iuu h ILE 164 N -1.75 1.31 -0.20 0.90 6.09 -1.89 -3.39 117.51 118.57 1iuu h ILE 164 Ca -0.53 -3.01 0.03 0.00 -1.37 0.00 0.00 64.86 59.99 1iuu h ILE 164 Cb 1.33 2.63 -0.03 0.00 0.47 0.00 0.00 36.82 41.22 1iuu h ILE 164 CO 0.59 0.75 0.00 0.77 -3.07 0.00 0.00 178.15 177.19 1iuu h SER 165 N 0.00 -0.07 0.25 2.19 4.64 -1.94 -1.87 113.55 116.74 1iuu h SER 165 Ca -0.09 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1iuu h SER 165 Cb 1.78 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 1iuu h SER 165 CO 0.10 -0.01 -0.25 -0.09 -0.87 0.00 0.00 176.83 175.72 1iuu h ARG 166 N 0.07 0.00 0.00 4.77 2.43 -1.85 -1.80 114.38 117.99 1iuu h ARG 166 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1iuu h ARG 166 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1iuu h ARG 166 CO -0.16 0.25 0.00 1.04 -1.51 0.00 0.00 179.97 179.59 1iuu n GLN 167 N -4.24 0.22 0.00 0.20 1.13 -0.75 -2.88 117.38 111.06 1iuu n GLN 167 Ca -0.02 0.38 0.13 0.00 -1.94 0.00 0.00 57.00 55.55 1iuu n GLN 167 Cb 0.30 -1.87 0.44 0.00 0.11 0.00 0.00 30.24 29.22 1iuu n GLN 167 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1iuu n SER 168 N -2.29 0.49 -4.73 1.08 7.64 -0.68 -4.82 113.62 110.30 1iuu n SER 168 Ca 0.03 -0.31 -0.38 0.00 1.01 0.00 0.00 58.87 59.22 1iuu n SER 168 Cb 0.29 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 1iuu n SER 168 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1iuu s ILE 169 N -2.77 5.14 -0.08 0.44 1.01 -1.14 -5.00 121.20 118.80 1iuu s ILE 169 Ca 0.19 0.99 -0.35 0.00 0.00 0.00 0.00 60.65 61.48 1iuu s ILE 169 Cb 0.19 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 1iuu s ILE 169 CO 0.58 0.35 1.80 -2.65 0.00 0.00 0.00 174.94 175.02 1iuu n PRO 170 N 3.44 1.97 -0.42 2.79 -0.02 -1.26 -4.79 135.00 136.70 1iuu n PRO 170 Ca -0.07 0.72 0.37 0.00 -2.02 0.00 0.00 63.50 62.50 1iuu n PRO 170 Cb 0.52 -2.52 0.71 0.00 -0.02 0.00 0.00 33.50 32.19 1iuu n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iuu h ALA 171 N 8.29 3.08 0.00 3.55 0.00 -1.93 0.19 119.26 132.44 1iuu h ALA 171 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1iuu h ALA 171 Cb 1.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1iuu h ALA 171 CO 0.94 -1.52 0.00 0.93 0.00 0.00 0.00 179.25 179.60 1iuu h GLU 172 N 0.08 0.00 0.00 0.00 5.08 -2.03 -2.46 114.58 115.24 1iuu h GLU 172 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1iuu h GLU 172 Cb 2.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.75 1iuu h GLU 172 CO -0.12 0.00 -0.44 0.54 -1.00 0.00 0.00 179.01 178.00 1iuu n ARG 173 N -2.87 0.28 -3.99 2.33 5.12 0.66 -4.89 116.66 113.30 1iuu n ARG 173 Ca 0.01 0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.73 1iuu n ARG 173 Cb 0.26 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.78 1iuu n ARG 173 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1iuu s LEU 174 N -4.32 4.13 -0.19 0.55 1.43 -0.93 -4.41 118.68 114.95 1iuu s LEU 174 Ca 0.08 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1iuu s LEU 174 Cb 0.13 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1iuu s LEU 174 CO 0.68 0.24 -0.16 -0.75 0.23 0.00 0.00 176.35 176.59 1iuu s LYS 175 N -2.05 2.63 -0.14 1.70 2.20 -0.23 -4.98 119.74 118.87 1iuu s LYS 175 Ca 0.28 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.96 1iuu s LYS 175 Cb -0.12 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1iuu s LYS 175 CO 0.19 -0.30 0.07 0.08 -0.36 0.00 0.00 175.35 175.03 1iuu s VAL 176 N 1.31 4.88 -0.15 4.02 1.01 -1.26 -1.35 120.40 128.85 1iuu s VAL 176 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1iuu s VAL 176 Cb -0.14 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1iuu s VAL 176 CO -0.11 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.02 1iuu s PHE 177 N -0.28 2.22 -0.07 5.22 0.08 -0.13 -5.00 117.98 120.02 1iuu s PHE 177 Ca 0.09 -1.27 -0.09 0.00 0.12 0.00 0.00 56.93 55.78 1iuu s PHE 177 Cb -0.12 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1iuu s PHE 177 CO 0.01 -0.68 0.23 -2.00 -0.10 0.00 0.00 175.22 172.69 1iuu s GLU 178 N 1.47 0.36 -0.03 0.44 2.12 -1.26 -0.73 118.70 121.07 1iuu s GLU 178 Ca 0.05 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.54 1iuu s GLU 178 Cb -0.13 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.45 1iuu s GLU 178 CO -0.11 -0.06 -0.02 0.50 -0.54 0.00 0.00 175.26 175.02 1iuu s ARG 179 N -0.28 0.54 -0.18 4.30 3.52 -0.25 -4.98 118.95 121.61 1iuu s ARG 179 Ca -0.04 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.47 1iuu s ARG 179 Cb -0.03 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 1iuu s ARG 179 CO 0.01 -0.08 0.02 0.08 -0.81 0.00 0.00 175.30 174.52 1iuu s VAL 180 N 0.84 4.36 0.15 7.11 1.01 -1.26 -0.81 120.40 131.79 1iuu s VAL 180 Ca -0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1iuu s VAL 180 Cb -0.13 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1iuu s VAL 180 CO -0.01 0.46 0.49 -0.31 0.00 0.00 0.00 175.10 175.74 1iuu s TYR 181 N 0.50 3.54 -0.04 5.22 1.51 -1.04 -4.98 117.35 122.07 1iuu s TYR 181 Ca 0.00 0.89 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1iuu s TYR 181 Cb -0.13 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1iuu s TYR 181 CO 0.02 0.42 2.26 -0.35 -1.11 0.00 0.00 175.55 176.78 1iuu n PRO 182 N 0.54 1.26 -3.65 -1.71 -0.04 -1.26 -4.69 135.00 125.45 1iuu n PRO 182 Ca -0.04 -0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 62.99 1iuu n PRO 182 Cb 0.52 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1iuu n PRO 182 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1iuu s PHE 183 N -0.08 -0.24 0.37 0.54 -0.12 -1.26 -4.33 117.98 112.86 1iuu s PHE 183 Ca 0.15 -0.01 0.05 0.00 -0.05 0.00 0.00 56.93 57.06 1iuu s PHE 183 Cb 0.08 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 1iuu s PHE 183 CO -0.00 -0.77 0.18 0.20 -0.05 0.00 0.00 175.22 174.77 1iuu s GLY 184 N -2.77 2.45 -0.13 1.99 0.00 0.42 -2.64 107.32 106.63 1iuu s GLY 184 Ca 0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 1iuu s GLY 184 CO -0.02 -1.68 -0.11 -0.98 0.00 0.00 0.00 173.10 170.31 1iuu s TRP 185 N -3.35 2.86 -0.37 1.90 0.52 0.72 -1.06 118.94 120.16 1iuu s TRP 185 Ca 0.31 -0.53 -0.14 0.00 0.02 0.00 0.00 56.10 55.76 1iuu s TRP 185 Cb 0.03 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.49 1iuu s TRP 185 CO 0.19 -0.14 0.28 -1.17 0.02 0.00 0.00 176.95 176.12 1iuu s LEU 186 N 0.29 4.76 0.02 2.99 2.96 -0.15 -0.50 118.68 129.05 1iuu s LEU 186 Ca -0.08 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1iuu s LEU 186 Cb -0.15 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1iuu s LEU 186 CO 0.05 -0.33 0.08 -0.83 -1.32 0.00 0.00 176.35 173.99 1iuu s GLY 187 N 1.71 2.01 -0.06 7.98 0.00 0.20 -1.44 107.32 117.72 1iuu s GLY 187 Ca 0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1iuu s GLY 187 CO 0.10 -0.82 -0.01 -2.27 0.00 0.00 0.00 173.10 170.11 1iuu s LEU 188 N -1.93 0.83 -0.18 0.66 0.20 0.05 -2.38 118.68 115.94 1iuu s LEU 188 Ca 0.25 -0.08 -0.09 0.00 0.69 0.00 0.00 54.13 54.90 1iuu s LEU 188 Cb -0.12 -0.40 -0.05 0.00 -0.43 0.00 0.00 46.19 45.20 1iuu s LEU 188 CO 0.16 -0.15 0.12 -0.22 -0.29 0.00 0.00 176.35 175.97 1iuu s LEU 189 N 1.59 4.15 0.02 -0.68 2.96 -0.27 -1.57 118.68 124.89 1iuu s LEU 189 Ca -0.01 0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1iuu s LEU 189 Cb -0.13 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1iuu s LEU 189 CO -0.03 0.23 -0.02 0.00 -1.32 0.00 0.00 176.35 175.20 1iuu s ALA 190 N 0.08 0.10 -1.35 5.97 0.00 -0.45 -0.21 121.76 125.90 1iuu s ALA 190 Ca 0.08 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1iuu s ALA 190 Cb -0.11 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.26 1iuu s ALA 190 CO -0.00 -0.16 2.22 -0.25 0.00 0.00 0.00 175.76 177.57 1iuu n ASP 191 N 1.62 6.57 -4.14 0.00 8.00 -1.26 -0.61 116.55 126.73 1iuu n ASP 191 Ca -0.24 -3.05 -0.16 0.00 0.71 0.00 0.00 54.79 52.06 1iuu n ASP 191 Cb 0.55 -1.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.08 1iuu n ASP 191 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1iuu s THR 192 N 0.17 0.91 0.35 -3.53 -4.23 -0.95 -4.86 115.64 103.50 1iuu s THR 192 Ca 0.49 -1.27 -0.28 0.00 -1.18 0.00 0.00 61.69 59.45 1iuu s THR 192 Cb 0.14 -0.96 -0.10 0.00 1.34 0.00 0.00 72.50 72.93 1iuu s THR 192 CO -0.05 -0.32 1.31 -2.84 -0.54 0.00 0.00 174.62 172.19 1iuu s PRO 193 N -1.81 4.26 0.67 3.99 0.02 -1.26 -2.67 135.00 138.19 1iuu s PRO 193 Ca -0.04 2.22 -0.16 0.00 0.02 0.00 0.00 61.00 63.03 1iuu s PRO 193 Cb -0.09 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1iuu s PRO 193 CO 0.01 -0.27 1.19 -1.25 -0.33 0.00 0.00 177.00 176.36 1iuu s PRO 194 N -1.91 2.57 0.45 5.54 0.04 -1.26 -4.64 135.00 135.79 1iuu s PRO 194 Ca 0.51 1.73 0.30 0.00 0.04 0.00 0.00 61.00 63.58 1iuu s PRO 194 Cb -0.40 -1.89 1.29 0.00 0.04 0.00 0.00 34.50 33.54 1iuu s PRO 194 CO 0.52 -1.50 1.90 -0.24 0.04 0.00 0.00 177.00 177.73 1iuu h VAL 195 N 0.22 0.00 -3.51 -0.36 3.04 -1.90 -3.45 116.25 110.29 1iuu h VAL 195 Ca -0.49 -0.37 -0.06 0.00 -1.01 0.00 0.00 66.70 64.77 1iuu h VAL 195 Cb 1.29 1.26 -0.13 0.00 -2.01 0.00 0.00 31.29 31.70 1iuu h VAL 195 CO 0.53 0.00 -0.15 -0.55 -1.01 0.00 0.00 177.57 176.39 1iuu s SER 196 N -5.11 -0.14 0.00 3.17 0.15 -1.26 -4.97 113.70 105.54 1iuu s SER 196 Ca 0.02 -0.44 0.29 0.00 0.70 0.00 0.00 55.95 56.53 1iuu s SER 196 Cb 0.09 0.45 1.34 0.00 -1.71 0.00 0.00 66.02 66.19 1iuu s SER 196 CO 0.47 -0.84 1.95 0.00 1.20 0.00 0.00 173.24 176.02 1iuu n HIS 197 N -0.20 0.00 -4.17 3.44 1.44 -1.26 -4.80 115.22 109.67 1iuu n HIS 197 Ca -0.15 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.45 1iuu n HIS 197 Cb 0.63 -0.28 -0.10 0.00 0.12 0.00 0.00 29.99 30.37 1iuu n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1iuu s GLU 198 N -2.61 0.84 0.56 -1.40 2.02 -1.26 -5.01 118.70 111.84 1iuu s GLU 198 Ca 0.26 -1.34 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 1iuu s GLU 198 Cb 0.20 -0.21 -0.05 0.00 0.10 0.00 0.00 34.13 34.17 1iuu s GLU 198 CO 0.49 -0.02 1.12 -0.51 0.02 0.00 0.00 175.26 176.35 1iuu s LEU 199 N -3.05 3.68 -0.16 1.80 1.02 -1.26 -4.87 118.68 115.84 1iuu s LEU 199 Ca 0.12 2.11 -0.01 0.00 0.02 0.00 0.00 54.13 56.38 1iuu s LEU 199 Cb 0.05 -4.57 0.04 0.00 0.02 0.00 0.00 46.19 41.73 1iuu s LEU 199 CO -0.05 -1.26 -0.05 -0.63 0.02 0.00 0.00 176.35 174.38 1iuu s ILE 200 N -1.92 1.09 -0.16 -0.59 1.01 -0.96 -0.91 121.20 118.76 1iuu s ILE 200 Ca 0.71 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1iuu s ILE 200 Cb -0.22 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1iuu s ILE 200 CO 0.29 0.12 0.25 -0.31 0.00 0.00 0.00 174.94 175.30 1iuu s TYR 201 N 1.64 3.48 -0.09 3.97 1.51 -0.16 -1.20 117.35 126.50 1iuu s TYR 201 Ca 0.01 0.55 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1iuu s TYR 201 Cb -0.15 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.45 1iuu s TYR 201 CO -0.08 0.32 -0.14 0.00 -1.11 0.00 0.00 175.55 174.54 1iuu s ALA 202 N 0.22 1.48 -0.31 3.71 0.00 0.66 -0.36 121.76 127.16 1iuu s ALA 202 Ca 0.15 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1iuu s ALA 202 Cb -0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1iuu s ALA 202 CO 0.03 0.02 0.20 1.21 0.00 0.00 0.00 175.76 177.22 1iuu s ASN 203 N 0.83 5.95 0.06 0.00 3.84 0.50 -2.06 114.94 124.06 1iuu s ASN 203 Ca -0.11 -0.24 0.03 0.00 0.21 0.00 0.00 52.86 52.76 1iuu s ASN 203 Cb -0.15 -2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1iuu s ASN 203 CO 0.01 -0.14 -0.10 -2.28 -2.79 0.00 0.00 177.10 171.80 1iuu s HIS 204 N 1.72 0.93 0.45 0.43 2.46 -1.21 -4.22 115.29 115.85 1iuu s HIS 204 Ca 0.06 -0.51 0.22 0.00 0.47 0.00 0.00 55.06 55.31 1iuu s HIS 204 Cb -0.17 -0.53 1.20 0.00 -0.13 0.00 0.00 32.58 32.95 1iuu s HIS 204 CO 0.10 -0.02 1.84 -1.35 -2.47 0.00 0.00 174.74 172.84 1iuu h PRO 205 N 4.30 0.29 0.00 2.88 0.11 -1.96 0.13 132.00 137.74 1iuu h PRO 205 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1iuu h PRO 205 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1iuu h PRO 205 CO 0.42 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1iuu h ARG 206 N 0.29 0.00 0.00 1.05 3.08 -1.96 -3.49 114.38 113.36 1iuu h ARG 206 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1iuu h ARG 206 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1iuu h ARG 206 CO -0.16 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.15 1iuu n GLY 207 N 0.71 2.75 3.77 0.04 0.00 0.44 -5.00 105.19 107.89 1iuu n GLY 207 Ca 0.03 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 1iuu n GLY 207 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iuu s PHE 208 N -1.83 2.85 -0.02 1.61 5.36 -1.26 -3.28 117.98 121.41 1iuu s PHE 208 Ca 0.00 1.54 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1iuu s PHE 208 Cb 0.00 -3.36 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 1iuu s PHE 208 CO 0.00 -1.49 0.08 0.00 -1.46 0.00 0.00 175.22 172.35 1iuu s ALA 209 N -1.59 -0.19 -0.04 11.12 0.00 -0.88 -0.38 121.76 129.82 1iuu s ALA 209 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1iuu s ALA 209 Cb -0.28 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1iuu s ALA 209 CO 0.33 -0.09 -0.02 -1.17 0.00 0.00 0.00 175.76 174.81 1iuu s LEU 210 N -0.48 1.14 -0.35 0.00 2.96 -0.23 -0.25 118.68 121.46 1iuu s LEU 210 Ca -0.06 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1iuu s LEU 210 Cb -0.04 -0.33 0.03 0.00 0.50 0.00 0.00 46.19 46.35 1iuu s LEU 210 CO 0.00 -0.10 0.17 0.00 -1.32 0.00 0.00 176.35 175.10 1iuu n SER 212 N 4.94 1.64 -3.80 0.00 2.88 0.97 -2.26 113.62 117.99 1iuu n SER 212 Ca -0.12 -0.78 -0.08 0.00 -1.33 0.00 0.00 58.87 56.56 1iuu n SER 212 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1iuu n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iuu s GLN 213 N -1.33 1.70 0.00 -1.46 -2.07 -1.26 -2.66 119.66 112.59 1iuu s GLN 213 Ca 0.00 -0.92 0.00 0.00 -1.82 0.00 0.00 55.36 52.62 1iuu s GLN 213 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 1iuu s GLN 213 CO 0.00 -0.77 0.00 0.54 -1.32 0.00 0.00 175.29 173.74 1iuu n ARG 214 N -0.44 2.14 -1.06 9.60 5.12 0.32 -4.71 116.66 127.63 1iuu n ARG 214 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1iuu n ARG 214 Cb 0.60 -0.88 0.00 0.00 -1.16 0.00 0.00 32.46 31.02 1iuu n ARG 214 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1iuu n SER 215 N -1.83 0.00 0.14 0.55 3.41 -1.06 -4.71 113.62 110.12 1iuu n SER 215 Ca 0.00 -0.94 0.12 0.00 -0.26 0.00 0.00 58.87 57.79 1iuu n SER 215 Cb 0.38 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.83 1iuu n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iuu h ALA 216 N 2.00 1.00 0.00 7.33 0.00 -1.95 -3.09 119.26 124.55 1iuu h ALA 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iuu h ALA 216 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iuu h ALA 216 CO 0.00 0.00 -0.08 0.25 0.00 0.00 0.00 179.25 179.42 1iuu n THR 217 N -2.32 0.86 -3.95 0.00 -2.24 -1.26 -4.37 114.28 100.99 1iuu n THR 217 Ca 0.02 -0.96 -0.20 0.00 -2.27 0.00 0.00 64.05 60.65 1iuu n THR 217 Cb 0.27 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 68.74 1iuu n THR 217 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iuu s ARG 218 N -1.13 0.53 0.26 -0.78 3.52 -1.14 -2.25 118.95 117.96 1iuu s ARG 218 Ca 0.09 0.04 0.10 0.00 -0.13 0.00 0.00 55.73 55.83 1iuu s ARG 218 Cb 0.08 -0.72 -0.05 0.00 -1.56 0.00 0.00 34.95 32.70 1iuu s ARG 218 CO 0.01 -0.17 -0.09 -1.12 -0.81 0.00 0.00 175.30 173.12 1iuu s SER 219 N 1.27 4.13 -0.06 -2.12 0.01 0.22 -0.52 113.70 116.63 1iuu s SER 219 Ca -0.06 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 1iuu s SER 219 Cb -0.13 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1iuu s SER 219 CO -0.02 0.03 0.05 -0.60 0.41 0.00 0.00 173.24 173.11 1iuu s ARG 220 N -3.47 0.12 0.15 12.44 6.06 -1.09 -1.34 118.95 131.82 1iuu s ARG 220 Ca 0.30 0.26 0.11 0.00 -2.50 0.00 0.00 55.73 53.89 1iuu s ARG 220 Cb -0.06 -0.77 -0.04 0.00 0.06 0.00 0.00 34.95 34.14 1iuu s ARG 220 CO 0.17 -0.36 -0.25 0.71 -2.50 0.00 0.00 175.30 173.07 1iuu s TYR 221 N 2.11 2.24 0.02 5.12 2.02 -0.61 -0.02 117.35 128.23 1iuu s TYR 221 Ca 0.05 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1iuu s TYR 221 Cb -0.12 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1iuu s TYR 221 CO -0.04 0.39 -0.03 0.71 -1.57 0.00 0.00 175.55 175.00 1iuu s TYR 222 N -1.34 0.30 -0.00 2.71 2.02 -0.51 -0.77 117.35 119.77 1iuu s TYR 222 Ca 0.16 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1iuu s TYR 222 Cb -0.09 -0.20 0.00 0.00 -0.40 0.00 0.00 41.96 41.27 1iuu s TYR 222 CO 0.07 -0.16 0.00 0.14 -1.57 0.00 0.00 175.55 174.04 1iuu s VAL 223 N -1.31 -0.00 0.44 0.71 -7.23 -0.52 -1.07 120.40 111.41 1iuu s VAL 223 Ca -0.14 0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 59.80 1iuu s VAL 223 Cb -0.09 -0.02 -0.08 0.00 0.56 0.00 0.00 36.38 36.75 1iuu s VAL 223 CO -0.01 0.01 1.31 -1.58 -0.31 0.00 0.00 175.10 174.52 1iuu s GLN 224 N 0.09 3.75 -0.07 4.82 0.74 0.49 -0.97 119.66 128.51 1iuu s GLN 224 Ca -0.01 2.16 -0.14 0.00 0.05 0.00 0.00 55.36 57.41 1iuu s GLN 224 Cb -0.01 -2.60 0.03 0.00 1.10 0.00 0.00 33.01 31.52 1iuu s GLN 224 CO -0.00 -0.67 0.34 0.54 -0.55 0.00 0.00 175.29 174.95 1iuu s VAL 225 N -1.30 0.03 0.85 1.34 0.11 -0.22 -4.78 120.40 116.43 1iuu s VAL 225 Ca 0.61 -0.25 -0.12 0.00 -2.93 0.00 0.00 61.98 59.28 1iuu s VAL 225 Cb -0.38 -0.58 0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1iuu s VAL 225 CO 0.48 -0.14 1.10 -2.65 -3.33 0.00 0.00 175.10 170.56 1iuu n PRO 226 N 1.96 -0.03 0.27 1.54 -0.02 -1.26 -0.44 135.00 137.03 1iuu n PRO 226 Ca -0.18 0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.53 1iuu n PRO 226 Cb 0.57 -2.36 0.69 0.00 -0.02 0.00 0.00 33.50 32.38 1iuu n PRO 226 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1iuu h LEU 227 N -1.21 0.00 -0.01 2.45 5.85 -1.89 -2.80 115.31 117.70 1iuu h LEU 227 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1iuu h LEU 227 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1iuu h LEU 227 CO 0.44 0.05 0.00 -1.54 -0.34 0.00 0.00 178.44 177.05 1iuu n SER 228 N -3.20 0.02 -4.77 1.25 3.41 -1.26 -4.86 113.62 104.20 1iuu n SER 228 Ca -0.00 0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 1iuu n SER 228 Cb 0.30 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1iuu n SER 228 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1iuu s GLU 229 N -3.01 4.06 -0.06 4.33 0.41 -1.06 -5.04 118.70 118.33 1iuu s GLU 229 Ca 0.10 1.73 0.04 0.00 -0.41 0.00 0.00 54.97 56.43 1iuu s GLU 229 Cb 0.13 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.85 1iuu s GLU 229 CO 0.37 -0.29 -0.20 0.15 -0.49 0.00 0.00 175.26 174.81 1iuu s LYS 230 N -2.39 2.64 0.42 1.61 1.02 -1.26 -5.03 119.74 116.75 1iuu s LYS 230 Ca 0.58 -0.81 0.11 0.00 0.02 0.00 0.00 55.97 55.87 1iuu s LYS 230 Cb -0.28 -2.30 0.95 0.00 -0.52 0.00 0.00 37.83 35.68 1iuu s LYS 230 CO 0.35 0.44 2.02 -0.24 -0.92 0.00 0.00 175.35 177.00 1iuu h VAL 231 N 4.85 0.99 0.00 3.17 3.04 -1.96 -1.18 116.25 125.16 1iuu h VAL 231 Ca -0.36 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1iuu h VAL 231 Cb 1.17 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1iuu h VAL 231 CO 0.49 0.09 0.00 -1.84 -1.01 0.00 0.00 177.57 175.30 1iuu n GLU 232 N -4.47 0.06 0.00 4.17 0.00 -1.26 -1.00 120.64 118.14 1iuu n GLU 232 Ca 0.07 0.45 0.14 0.00 0.00 0.00 0.00 57.16 57.82 1iuu n GLU 232 Cb 0.22 -1.66 0.52 0.00 0.00 0.00 0.00 31.44 30.52 1iuu n GLU 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1iuu n ASP 233 N -1.78 1.16 -4.01 -1.84 8.00 -0.44 -4.69 116.55 112.95 1iuu n ASP 233 Ca 0.01 -1.20 -0.32 0.00 0.71 0.00 0.00 54.79 53.99 1iuu n ASP 233 Cb 0.09 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.09 1iuu n ASP 233 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1iuu s TRP 234 N -2.19 3.45 0.80 1.24 0.52 -0.17 -5.05 118.94 117.55 1iuu s TRP 234 Ca 0.34 -3.00 -0.11 0.00 0.02 0.00 0.00 56.10 53.35 1iuu s TRP 234 Cb 0.20 -2.94 0.07 0.00 -1.15 0.00 0.00 33.47 29.66 1iuu s TRP 234 CO 0.40 -0.85 1.09 -1.54 0.02 0.00 0.00 176.95 176.08 1iuu s SER 235 N 0.43 4.30 0.20 2.95 1.04 -1.26 -4.83 113.70 116.52 1iuu s SER 235 Ca 0.14 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.10 1iuu s SER 235 Cb -0.23 -2.36 0.20 0.00 0.10 0.00 0.00 66.02 63.73 1iuu s SER 235 CO -0.04 -2.14 1.78 0.44 0.98 0.00 0.00 173.24 174.27 1iuu h ASP 236 N -1.20 0.38 -0.82 7.02 3.32 -1.98 -1.73 116.42 121.42 1iuu h ASP 236 Ca -0.46 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1iuu h ASP 236 Cb 1.25 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1iuu h ASP 236 CO 0.54 0.25 0.50 1.05 -1.72 0.00 0.00 179.24 179.86 1iuu h GLU 237 N 0.53 1.12 -0.57 3.56 4.11 -1.96 -1.31 114.58 120.07 1iuu h GLU 237 Ca 0.27 -0.10 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 1iuu h GLU 237 Cb 0.21 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1iuu h GLU 237 CO -0.20 0.78 0.02 -0.09 0.07 0.00 0.00 179.01 179.59 1iuu h ARG 238 N 1.14 0.96 -0.09 1.06 2.43 -1.74 -2.21 114.38 115.93 1iuu h ARG 238 Ca 0.30 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1iuu h ARG 238 Cb -0.05 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1iuu h ARG 238 CO -0.06 0.93 0.03 0.35 -1.51 0.00 0.00 179.97 179.72 1iuu h PHE 239 N 0.89 0.14 -0.86 2.20 3.04 -0.43 -1.58 116.94 120.35 1iuu h PHE 239 Ca 0.17 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 1iuu h PHE 239 Cb 0.49 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.92 1iuu h PHE 239 CO 0.03 0.28 0.44 -1.49 -2.02 0.00 0.00 178.31 175.55 1iuu h TRP 240 N -0.04 1.21 -0.70 0.41 -0.00 -1.19 0.11 115.95 115.74 1iuu h TRP 240 Ca 0.03 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 58.81 1iuu h TRP 240 Cb 0.20 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 28.96 1iuu h TRP 240 CO -0.01 0.86 0.20 1.15 -0.00 0.00 0.00 178.44 180.64 1iuu h THR 241 N 1.21 1.26 -0.11 1.49 2.02 -1.34 -0.62 112.91 116.82 1iuu h THR 241 Ca 0.30 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1iuu h THR 241 Cb 0.08 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1iuu h THR 241 CO -0.04 0.36 -0.05 -0.08 0.37 0.00 0.00 175.52 176.07 1iuu h GLU 242 N 1.04 0.22 -0.37 6.66 4.57 -0.90 -2.16 114.58 123.64 1iuu h GLU 242 Ca 0.22 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1iuu h GLU 242 Cb 0.33 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1iuu h GLU 242 CO -0.00 0.58 0.07 1.25 -1.18 0.00 0.00 179.01 179.72 1iuu h LEU 243 N -0.13 0.00 -1.44 1.64 6.46 -0.64 -1.75 115.31 119.46 1iuu h LEU 243 Ca 0.02 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1iuu h LEU 243 Cb 0.51 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1iuu h LEU 243 CO 0.02 0.04 0.08 0.11 -0.62 0.00 0.00 178.44 178.06 1iuu h LYS 244 N 0.19 0.45 0.00 1.25 1.57 -1.08 -1.75 116.57 117.20 1iuu h LYS 244 Ca 0.18 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1iuu h LYS 244 Cb 0.21 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1iuu h LYS 244 CO -0.23 0.42 -0.04 0.00 -0.57 0.00 0.00 179.45 179.02 1iuu h ALA 245 N 1.64 1.01 -0.01 3.86 0.00 -0.64 -3.12 119.26 122.01 1iuu h ALA 245 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iuu h ALA 245 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iuu h ALA 245 CO -0.00 0.05 -0.57 0.54 0.00 0.00 0.00 179.25 179.27 1iuu n ARG 246 N -3.15 0.68 -4.04 0.00 1.74 -0.68 -4.97 116.66 106.24 1iuu n ARG 246 Ca 0.01 -0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 56.35 1iuu n ARG 246 Cb 0.34 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1iuu n ARG 246 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iuu s LEU 247 N -2.68 4.07 0.53 0.55 1.43 -1.10 -4.71 118.68 116.77 1iuu s LEU 247 Ca 0.16 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1iuu s LEU 247 Cb 0.18 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1iuu s LEU 247 CO 0.65 -0.05 1.38 -2.65 0.23 0.00 0.00 176.35 175.92 1iuu n PRO 248 N -1.25 1.81 -0.23 1.29 -0.02 -1.26 -4.74 135.00 130.60 1iuu n PRO 248 Ca -0.08 0.66 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 1iuu n PRO 248 Cb 0.57 -2.60 0.13 0.00 -0.02 0.00 0.00 33.50 31.59 1iuu n PRO 248 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1iuu h SER 249 N 1.60 0.34 0.48 2.55 4.64 -1.98 -1.18 113.55 119.99 1iuu h SER 249 Ca -0.51 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1iuu h SER 249 Cb 1.30 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1iuu h SER 249 CO 0.58 0.19 -0.03 1.05 -0.87 0.00 0.00 176.83 177.74 1iuu h GLU 250 N 0.50 0.00 0.12 4.77 9.09 -2.00 -1.52 114.58 125.54 1iuu h GLU 250 Ca 0.34 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.45 1iuu h GLU 250 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1iuu h GLU 250 CO -0.31 0.03 -1.55 0.28 0.05 0.00 0.00 179.01 177.51 1iuu h VAL 251 N 0.00 0.94 0.00 -1.06 2.07 -1.66 -3.36 116.25 113.18 1iuu h VAL 251 Ca -0.00 -2.39 -0.04 0.00 0.82 0.00 0.00 66.70 65.09 1iuu h VAL 251 Cb 0.28 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1iuu h VAL 251 CO 0.00 0.74 -0.20 0.00 0.02 0.00 0.00 177.57 178.13 1iuu h ALA 252 N -0.03 1.42 -0.39 1.67 0.00 -0.90 -3.02 119.26 118.00 1iuu h ALA 252 Ca -0.33 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1iuu h ALA 252 Cb 1.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1iuu h ALA 252 CO 0.06 0.25 -0.20 0.93 0.00 0.00 0.00 179.25 180.29 1iuu h GLU 253 N 0.00 0.75 -0.63 0.00 5.08 -1.43 -3.20 114.58 115.15 1iuu h GLU 253 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1iuu h GLU 253 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iuu h GLU 253 CO 0.03 0.90 0.00 0.36 -1.00 0.00 0.00 179.01 179.29 1iuu n LYS 254 N -4.12 2.69 -2.46 2.33 2.85 -1.15 -4.95 118.16 113.35 1iuu n LYS 254 Ca 0.00 -2.30 -0.43 0.00 -1.05 0.00 0.00 58.31 54.53 1iuu n LYS 254 Cb 0.42 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 33.20 1iuu n LYS 254 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1iuu s LEU 255 N -1.17 4.22 -0.25 -5.58 0.20 -1.20 -4.90 118.68 110.01 1iuu s LEU 255 Ca 0.42 1.73 -0.17 0.00 0.69 0.00 0.00 54.13 56.80 1iuu s LEU 255 Cb 0.23 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 1iuu s LEU 255 CO 0.26 -0.66 0.46 -0.69 -0.29 0.00 0.00 176.35 175.43 1iuu s VAL 256 N 2.83 5.12 0.47 1.68 1.01 -1.26 -5.07 120.40 125.18 1iuu s VAL 256 Ca 0.54 0.78 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1iuu s VAL 256 Cb -0.23 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1iuu s VAL 256 CO 0.18 0.14 0.65 0.42 0.00 0.00 0.00 175.10 176.48 1iuu s THR 257 N 2.04 2.78 -0.09 3.92 -4.23 -1.26 -4.79 115.64 114.01 1iuu s THR 257 Ca 0.20 -0.94 -0.33 0.00 -1.18 0.00 0.00 61.69 59.44 1iuu s THR 257 Cb -0.16 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 70.99 1iuu s THR 257 CO 0.09 0.00 1.41 -0.83 -0.54 0.00 0.00 174.62 174.75 1iuu s GLY 258 N -4.43 -0.47 0.45 3.99 0.00 -1.26 -4.97 107.32 100.63 1iuu s GLY 258 Ca 0.57 0.97 -0.25 0.00 0.00 0.00 0.00 44.72 46.02 1iuu s GLY 258 CO 0.35 0.19 1.30 2.56 0.00 0.00 0.00 173.10 177.51 1iuu s PRO 259 N -2.10 3.73 0.28 2.90 0.04 -1.26 -4.97 135.00 133.63 1iuu s PRO 259 Ca 0.15 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 1iuu s PRO 259 Cb 0.07 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1iuu s PRO 259 CO -0.06 -0.68 1.04 -1.54 0.04 0.00 0.00 177.00 175.80 1iuu s SER 260 N -0.87 7.35 -0.01 6.66 1.04 -1.26 -4.41 113.70 122.20 1iuu s SER 260 Ca 0.61 2.14 0.18 0.00 0.48 0.00 0.00 55.95 59.36 1iuu s SER 260 Cb -0.37 -2.62 -0.20 0.00 0.10 0.00 0.00 66.02 62.93 1iuu s SER 260 CO 0.47 -0.07 0.59 0.18 0.98 0.00 0.00 173.24 175.39 1iuu n LEU 261 N 1.17 0.52 -3.65 2.42 4.77 0.71 -4.95 117.00 117.98 1iuu n LEU 261 Ca -0.01 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1iuu n LEU 261 Cb 0.46 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1iuu n LEU 261 CO 0.52 0.20 0.31 -0.70 -1.33 0.00 0.00 177.39 176.38 1iuu s GLU 262 N -2.93 0.75 -0.10 3.23 -6.30 -1.21 -4.99 118.70 107.15 1iuu s GLU 262 Ca -0.05 0.75 -0.05 0.00 -2.50 0.00 0.00 54.97 53.11 1iuu s GLU 262 Cb 0.09 0.36 0.05 0.00 0.00 0.00 0.00 34.13 34.63 1iuu s GLU 262 CO 0.83 -0.12 0.24 0.21 0.02 0.00 0.00 175.26 176.44 1iuu s LYS 263 N 0.09 0.19 0.16 4.30 2.20 -1.26 -1.12 119.74 124.30 1iuu s LYS 263 Ca -0.02 0.54 -0.23 0.00 -0.36 0.00 0.00 55.97 55.90 1iuu s LYS 263 Cb -0.04 -0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1iuu s LYS 263 CO 0.02 -0.18 0.61 -1.54 -0.36 0.00 0.00 175.35 173.90 1iuu s SER 264 N 1.40 -0.56 -0.15 1.43 1.04 -1.00 -5.02 113.70 110.85 1iuu s SER 264 Ca -0.08 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 1iuu s SER 264 Cb -0.11 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 1iuu s SER 264 CO -0.08 -0.97 -0.13 -0.63 0.98 0.00 0.00 173.24 172.41 1iuu s ILE 265 N -3.73 2.96 -0.18 -1.02 1.01 -1.26 -0.63 121.20 118.35 1iuu s ILE 265 Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1iuu s ILE 265 Cb -0.01 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 1iuu s ILE 265 CO -0.12 0.51 -0.13 0.00 0.00 0.00 0.00 174.94 175.20 1iuu s ALA 266 N 0.69 2.57 0.50 9.38 0.00 0.35 -4.93 121.76 130.33 1iuu s ALA 266 Ca -0.06 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 1iuu s ALA 266 Cb -0.15 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 1iuu s ALA 266 CO 0.02 -0.19 1.05 -1.25 0.00 0.00 0.00 175.76 175.38 1iuu s PRO 267 N 1.07 3.71 -0.07 0.00 0.04 -1.26 -0.20 135.00 138.29 1iuu s PRO 267 Ca -0.00 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 1iuu s PRO 267 Cb -0.15 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1iuu s PRO 267 CO -0.03 -0.51 0.30 -0.51 0.04 0.00 0.00 177.00 176.29 1iuu s LEU 268 N -3.63 4.41 0.05 -3.56 1.02 -1.08 -4.88 118.68 111.01 1iuu s LEU 268 Ca 0.67 0.72 -0.27 0.00 0.02 0.00 0.00 54.13 55.27 1iuu s LEU 268 Cb -0.17 -2.37 0.08 0.00 0.02 0.00 0.00 46.19 43.75 1iuu s LEU 268 CO 0.23 0.32 0.69 0.00 0.02 0.00 0.00 176.35 177.60 1iuu s ARG 269 N -0.80 1.10 -0.04 1.70 1.70 -1.26 -2.48 118.95 118.87 1iuu s ARG 269 Ca 0.19 -0.16 0.06 0.00 -0.47 0.00 0.00 55.73 55.35 1iuu s ARG 269 Cb -0.14 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1iuu s ARG 269 CO 0.09 -0.43 -0.22 -1.12 -1.08 0.00 0.00 175.30 172.54 1iuu s SER 270 N -2.09 2.63 -0.25 -2.89 0.01 0.01 -2.21 113.70 108.92 1iuu s SER 270 Ca -0.03 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 1iuu s SER 270 Cb -0.01 -0.58 0.08 0.00 0.21 0.00 0.00 66.02 65.72 1iuu s SER 270 CO -0.04 0.23 0.59 0.12 0.41 0.00 0.00 173.24 174.55 1iuu s PHE 271 N -0.22 -0.95 -0.00 2.43 2.19 -0.08 -1.09 117.98 120.25 1iuu s PHE 271 Ca 0.00 1.88 0.01 0.00 0.33 0.00 0.00 56.93 59.15 1iuu s PHE 271 Cb -0.11 0.53 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1iuu s PHE 271 CO 0.02 -0.49 -0.02 0.08 1.83 0.00 0.00 175.22 176.64 1iuu s VAL 272 N 1.78 0.14 -0.03 3.12 1.01 0.09 -0.47 120.40 126.04 1iuu s VAL 272 Ca -0.09 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1iuu s VAL 272 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1iuu s VAL 272 CO -0.17 0.05 -0.23 0.54 0.00 0.00 0.00 175.10 175.28 1iuu s VAL 273 N 0.02 2.31 -0.05 2.92 0.11 -1.05 -0.95 120.40 123.70 1iuu s VAL 273 Ca 0.00 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1iuu s VAL 273 Cb -0.01 -1.83 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1iuu s VAL 273 CO -0.00 0.58 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.69 1iuu s GLU 274 N -0.57 0.91 0.26 1.54 2.02 -0.45 -4.42 118.70 117.98 1iuu s GLU 274 Ca 0.08 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.92 1iuu s GLU 274 Cb -0.11 -0.93 0.06 0.00 0.10 0.00 0.00 34.13 33.25 1iuu s GLU 274 CO 0.00 -0.11 0.35 -0.35 0.02 0.00 0.00 175.26 175.18 1iuu n PRO 275 N 4.19 -0.30 -0.76 0.39 -0.04 -1.26 -1.07 135.00 136.16 1iuu n PRO 275 Ca -0.22 -0.56 -0.03 0.00 -0.04 0.00 0.00 63.50 62.65 1iuu n PRO 275 Cb 0.51 -0.36 0.22 0.00 -0.04 0.00 0.00 33.50 33.83 1iuu n PRO 275 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1iuu n MET 276 N -1.74 2.19 -3.54 0.54 2.81 -1.26 -4.91 117.12 111.21 1iuu n MET 276 Ca 0.04 -3.08 -0.10 0.00 -1.81 0.00 0.00 57.70 52.75 1iuu n MET 276 Cb 0.16 -1.86 -0.02 0.00 -0.71 0.00 0.00 33.22 30.78 1iuu n MET 276 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1iuu s GLN 277 N -3.14 1.39 -0.28 0.03 -2.07 -1.26 -0.72 119.66 113.61 1iuu s GLN 277 Ca 0.45 -0.60 -0.06 0.00 -1.82 0.00 0.00 55.36 53.33 1iuu s GLN 277 Cb 0.40 0.58 0.14 0.00 -1.09 0.00 0.00 33.01 33.04 1iuu s GLN 277 CO 0.03 -0.62 0.58 -1.58 -1.32 0.00 0.00 175.29 172.39 1iuu s HIS 278 N -3.76 -1.31 0.00 9.60 2.46 -0.13 -5.01 115.29 117.13 1iuu s HIS 278 Ca 0.04 1.92 0.00 0.00 0.47 0.00 0.00 55.06 57.49 1iuu s HIS 278 Cb -0.02 0.61 0.00 0.00 -0.13 0.00 0.00 32.58 33.03 1iuu s HIS 278 CO -0.08 -0.71 0.00 0.41 -2.47 0.00 0.00 174.74 171.89 1iuu n GLY 279 N 5.43 4.16 1.78 1.59 0.00 -1.26 -1.09 105.19 115.80 1iuu n GLY 279 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1iuu n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iuu n ARG 280 N 14.00 4.41 -4.33 1.61 1.74 0.07 -4.87 116.66 129.28 1iuu n ARG 280 Ca 0.00 -3.06 -0.34 0.00 -0.77 0.00 0.00 57.85 53.69 1iuu n ARG 280 Cb 0.00 -2.11 -0.12 0.00 -1.02 0.00 0.00 32.46 29.21 1iuu n ARG 280 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1iuu s LEU 281 N -2.35 3.27 -0.10 0.55 2.96 -0.25 -0.52 118.68 122.25 1iuu s LEU 281 Ca 0.54 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1iuu s LEU 281 Cb 0.38 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1iuu s LEU 281 CO 0.20 0.15 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.86 1iuu s PHE 282 N 0.46 1.99 0.07 5.38 0.40 -0.32 -0.95 117.98 125.01 1iuu s PHE 282 Ca -0.03 -0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 55.28 1iuu s PHE 282 Cb -0.14 -1.41 -0.06 0.00 0.51 0.00 0.00 43.02 41.92 1iuu s PHE 282 CO 0.03 -0.41 0.51 -0.51 0.70 0.00 0.00 175.22 175.53 1iuu s LEU 283 N 0.74 4.46 0.00 -0.37 1.43 0.11 0.02 118.68 125.07 1iuu s LEU 283 Ca -0.12 1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1iuu s LEU 283 Cb -0.16 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1iuu s LEU 283 CO 0.02 0.24 0.03 0.00 0.23 0.00 0.00 176.35 176.88 1iuu s ALA 284 N -1.21 -0.05 0.00 4.21 0.00 -0.48 -4.86 121.76 119.37 1iuu s ALA 284 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1iuu s ALA 284 Cb -0.17 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1iuu s ALA 284 CO 0.17 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1iuu n GLY 285 N 2.15 0.79 0.23 0.00 0.00 -1.26 -3.29 105.19 103.80 1iuu n GLY 285 Ca -0.19 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.20 1iuu n GLY 285 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iuu h ASP 286 N 8.82 0.00 0.71 1.61 5.19 -1.89 0.12 116.42 130.97 1iuu h ASP 286 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1iuu h ASP 286 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1iuu h ASP 286 CO 0.00 0.00 -0.33 0.00 -3.12 0.00 0.00 179.24 175.79 1iuu h ALA 287 N 1.62 1.09 0.00 3.45 0.00 -1.61 -2.87 119.26 120.94 1iuu h ALA 287 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1iuu h ALA 287 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1iuu h ALA 287 CO 0.00 0.41 -1.71 0.00 0.00 0.00 0.00 179.25 177.95 1iuu n ALA 288 N -2.31 2.36 -3.57 0.00 0.00 0.37 -4.74 120.51 112.62 1iuu n ALA 288 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1iuu n ALA 288 Cb 0.45 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1iuu n ALA 288 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iuu s HIS 289 N -2.87 -0.58 -0.04 0.00 0.00 -0.99 -2.53 115.29 108.28 1iuu s HIS 289 Ca -0.06 1.15 0.05 0.00 -3.00 0.00 0.00 55.06 53.21 1iuu s HIS 289 Cb 0.08 0.39 -0.01 0.00 -4.00 0.00 0.00 32.58 29.04 1iuu s HIS 289 CO 0.59 -0.44 -0.19 0.42 -1.00 0.00 0.00 174.74 174.12 1iuu s ILE 290 N -0.67 1.57 0.04 -5.38 -1.09 0.38 -3.97 121.20 112.08 1iuu s ILE 290 Ca -0.04 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 57.62 1iuu s ILE 290 Cb -0.02 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 1iuu s ILE 290 CO 0.04 0.45 -0.18 0.68 -1.23 0.00 0.00 174.94 174.69 1iuu s VAL 291 N -0.15 1.45 0.54 2.92 -7.23 -1.25 -0.90 120.40 115.78 1iuu s VAL 291 Ca -0.00 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 1iuu s VAL 291 Cb -0.11 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1iuu s VAL 291 CO 0.02 0.15 1.30 -2.16 -0.31 0.00 0.00 175.10 174.09 1iuu s PRO 292 N -1.12 3.21 0.58 4.82 0.04 -0.94 -4.79 135.00 136.80 1iuu s PRO 292 Ca 0.05 2.10 0.28 0.00 0.04 0.00 0.00 61.00 63.47 1iuu s PRO 292 Cb -0.08 -2.23 1.54 0.00 0.04 0.00 0.00 34.50 33.77 1iuu s PRO 292 CO 0.01 -1.09 2.02 -1.35 0.04 0.00 0.00 177.00 176.64 1iuu h PRO 293 N 1.47 0.00 -1.04 0.56 0.11 -1.93 -3.30 132.00 127.87 1iuu h PRO 293 Ca -0.51 0.00 0.38 0.00 0.11 0.00 0.00 66.00 65.98 1iuu h PRO 293 Cb 1.29 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.24 1iuu h PRO 293 CO 0.57 0.00 0.59 1.15 -0.21 0.00 0.00 178.00 180.10 1iuu h THR 294 N 0.00 0.14 -0.02 -1.15 2.02 -1.90 0.22 112.91 112.23 1iuu h THR 294 Ca 0.15 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1iuu h THR 294 Cb 0.77 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1iuu h THR 294 CO -0.00 0.03 -0.08 0.61 0.37 0.00 0.00 175.52 176.44 1iuu n GLY 295 N -1.30 0.21 3.66 2.16 0.00 -1.24 -4.92 105.19 103.76 1iuu n GLY 295 Ca 0.35 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1iuu n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iuu n ALA 296 N 0.39 -1.64 0.05 4.61 0.00 0.06 -4.93 120.51 119.05 1iuu n ALA 296 Ca 0.16 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1iuu n ALA 296 Cb 0.44 -3.67 -0.11 0.00 0.00 0.00 0.00 19.45 16.11 1iuu n ALA 296 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iuu n LYS 297 N -4.55 0.60 0.03 0.00 4.76 -1.26 -4.62 118.16 113.12 1iuu n LYS 297 Ca -0.13 -0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.10 1iuu n LYS 297 Cb 0.61 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.41 1iuu n LYS 297 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1iuu h GLY 298 N 2.74 -1.25 1.84 0.72 0.00 -1.89 0.41 103.07 105.64 1iuu h GLY 298 Ca 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.91 1iuu h GLY 298 CO 0.00 -0.36 -0.21 -2.00 0.00 0.00 0.00 176.54 173.97 1iuu h LEU 299 N -0.39 0.19 -0.74 3.11 5.85 -1.93 -2.44 115.31 118.96 1iuu h LEU 299 Ca 0.01 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1iuu h LEU 299 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1iuu h LEU 299 CO -0.22 0.42 -0.46 0.78 -0.34 0.00 0.00 178.44 178.62 1iuu h ASN 300 N 0.18 0.43 0.40 1.25 2.35 -1.68 -1.94 115.58 116.57 1iuu h ASN 300 Ca 0.03 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1iuu h ASN 300 Cb 0.49 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1iuu h ASN 300 CO 0.03 0.83 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.94 1iuu h LEU 301 N 0.32 0.25 -0.92 1.61 3.38 0.07 -2.78 115.31 117.24 1iuu h LEU 301 Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1iuu h LEU 301 Cb 0.93 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1iuu h LEU 301 CO 0.08 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.65 1iuu h ALA 302 N 1.19 1.13 -0.38 1.53 0.00 -1.08 -0.86 119.26 120.80 1iuu h ALA 302 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1iuu h ALA 302 Cb 1.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1iuu h ALA 302 CO 0.10 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.12 1iuu h ALA 303 N 1.26 0.49 -0.17 0.00 0.00 -1.16 -1.25 119.26 118.43 1iuu h ALA 303 Ca 0.22 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1iuu h ALA 303 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1iuu h ALA 303 CO -0.01 0.07 -0.39 0.66 0.00 0.00 0.00 179.25 179.58 1iuu h SER 304 N 0.47 0.39 -0.40 0.00 4.64 -1.21 0.23 113.55 117.66 1iuu h SER 304 Ca 0.13 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1iuu h SER 304 Cb 0.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1iuu h SER 304 CO -0.01 0.75 0.15 0.44 -0.87 0.00 0.00 176.83 177.28 1iuu h ASP 305 N 0.32 0.57 -0.41 4.97 3.32 -0.96 -1.86 116.42 122.37 1iuu h ASP 305 Ca 0.03 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1iuu h ASP 305 Cb 0.83 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1iuu h ASP 305 CO 0.07 0.60 0.13 0.58 -1.72 0.00 0.00 179.24 178.90 1iuu h VAL 306 N 0.51 1.21 -0.75 -1.35 2.07 -0.83 0.16 116.25 117.27 1iuu h VAL 306 Ca 0.13 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1iuu h VAL 306 Cb 0.22 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1iuu h VAL 306 CO -0.01 0.25 0.48 -1.28 0.02 0.00 0.00 177.57 177.03 1iuu h SER 307 N 0.51 0.81 -0.23 0.57 0.87 -0.49 -0.30 113.55 115.30 1iuu h SER 307 Ca 0.13 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1iuu h SER 307 Cb 0.25 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1iuu h SER 307 CO -0.01 0.57 -0.06 0.74 -0.53 0.00 0.00 176.83 177.54 1iuu h THR 308 N 0.96 1.29 -0.44 2.23 2.02 -1.09 -2.02 112.91 115.86 1iuu h THR 308 Ca 0.29 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1iuu h THR 308 Cb -0.03 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1iuu h THR 308 CO -0.09 0.33 0.22 0.25 0.37 0.00 0.00 175.52 176.60 1iuu h LEU 309 N 0.17 0.57 0.17 2.58 5.85 -0.38 -2.25 115.31 122.03 1iuu h LEU 309 Ca 0.06 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1iuu h LEU 309 Cb 0.53 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1iuu h LEU 309 CO 0.02 0.53 -0.11 0.22 -0.34 0.00 0.00 178.44 178.77 1iuu h TYR 310 N 0.57 -0.29 -0.43 1.25 3.20 -1.06 -0.18 116.97 120.04 1iuu h TYR 310 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1iuu h TYR 310 Cb 0.11 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1iuu h TYR 310 CO -0.01 -0.17 0.22 0.00 -1.64 0.00 0.00 178.16 176.55 1iuu h ARG 311 N -0.27 0.58 -0.18 1.82 3.08 -1.31 0.46 114.38 118.56 1iuu h ARG 311 Ca -0.01 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 1iuu h ARG 311 Cb 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1iuu h ARG 311 CO 0.01 0.45 -0.67 -0.07 -1.07 0.00 0.00 179.97 178.62 1iuu h LEU 312 N 0.59 0.82 -0.72 3.04 3.38 -1.17 -2.19 115.31 119.06 1iuu h LEU 312 Ca 0.15 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1iuu h LEU 312 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1iuu h LEU 312 CO -0.02 1.26 -0.07 -0.07 0.09 0.00 0.00 178.44 179.63 1iuu h LEU 313 N 0.51 0.90 -0.22 1.67 3.38 -0.29 -1.05 115.31 120.21 1iuu h LEU 313 Ca -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1iuu h LEU 313 Cb 1.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1iuu h LEU 313 CO 0.13 1.00 0.13 0.25 0.09 0.00 0.00 178.44 180.04 1iuu h LEU 314 N 0.83 0.25 -0.93 1.67 6.46 -0.81 0.61 115.31 123.40 1iuu h LEU 314 Ca 0.14 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1iuu h LEU 314 Cb 0.58 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 1iuu h LEU 314 CO 0.04 0.21 0.60 0.11 -0.62 0.00 0.00 178.44 178.77 1iuu h LYS 315 N 0.27 1.09 -0.31 1.25 1.79 -1.17 0.29 116.57 119.79 1iuu h LYS 315 Ca 0.08 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1iuu h LYS 315 Cb 0.00 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 1iuu h LYS 315 CO -0.02 0.72 0.03 0.00 -1.08 0.00 0.00 179.45 179.11 1iuu h ALA 316 N 1.40 0.42 0.08 3.86 0.00 -0.38 -1.25 119.26 123.39 1iuu h ALA 316 Ca 0.38 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1iuu h ALA 316 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iuu h ALA 316 CO -0.14 0.13 -0.82 1.88 0.00 0.00 0.00 179.25 180.30 1iuu h TYR 317 N 0.34 0.32 -0.07 0.00 0.05 -0.59 -2.56 116.97 114.46 1iuu h TYR 317 Ca 0.09 -0.23 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 1iuu h TYR 317 Cb 0.38 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.11 1iuu h TYR 317 CO 0.03 1.32 -0.46 -0.09 -1.05 0.00 0.00 178.16 177.91 1iuu h ARG 318 N -0.58 0.44 -0.25 4.88 2.43 -0.55 -3.36 114.38 117.38 1iuu h ARG 318 Ca -0.17 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1iuu h ARG 318 Cb 1.48 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1iuu h ARG 318 CO 0.05 1.02 0.00 0.39 -1.51 0.00 0.00 179.97 179.91 1iuu n GLU 319 N -4.29 2.12 -1.47 0.20 1.02 -0.51 -4.97 120.64 112.75 1iuu n GLU 319 Ca -0.09 -1.97 -0.16 0.00 -0.02 0.00 0.00 57.16 54.92 1iuu n GLU 319 Cb 0.58 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 1iuu n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iuu n GLY 320 N 1.17 1.59 2.58 0.62 0.00 -0.96 -4.89 105.19 105.30 1iuu n GLY 320 Ca 0.15 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1iuu n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iuu n ARG 321 N -2.17 5.00 0.30 1.61 5.12 -0.97 -4.77 116.66 120.77 1iuu n ARG 321 Ca -0.16 -4.08 0.16 0.00 -1.93 0.00 0.00 57.85 51.84 1iuu n ARG 321 Cb 0.57 -2.56 0.92 0.00 -1.16 0.00 0.00 32.46 30.24 1iuu n ARG 321 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1iuu h GLY 322 N 4.95 0.00 2.00 -0.13 0.00 -1.82 -2.78 103.07 105.29 1iuu h GLY 322 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1iuu h GLY 322 CO 1.33 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.92 1iuu h GLU 323 N 0.00 0.00 0.00 4.80 9.09 -1.97 -2.87 114.58 123.62 1iuu h GLU 323 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1iuu h GLU 323 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1iuu h GLU 323 CO 0.01 0.00 -0.14 -0.07 0.05 0.00 0.00 179.01 178.86 1iuu h LEU 324 N 0.00 0.00 -2.70 3.06 3.38 -1.87 -2.91 115.31 114.28 1iuu h LEU 324 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iuu h LEU 324 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iuu h LEU 324 CO 0.00 0.14 0.04 -0.07 0.09 0.00 0.00 178.44 178.64 1iuu h LEU 325 N 0.00 0.00 -2.01 1.67 3.38 -1.73 -1.23 115.31 115.39 1iuu h LEU 325 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iuu h LEU 325 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1iuu h LEU 325 CO 0.02 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.19 1iuu h GLU 326 N 0.00 0.00 -0.00 1.13 5.08 -1.75 -2.58 114.58 116.46 1iuu h GLU 326 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1iuu h GLU 326 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iuu h GLU 326 CO -0.00 0.02 -0.12 0.54 -1.00 0.00 0.00 179.01 178.45 1iuu n ARG 327 N -3.17 0.73 -0.01 2.33 1.74 -0.46 -4.44 116.66 113.38 1iuu n ARG 327 Ca -0.01 -0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 56.65 1iuu n ARG 327 Cb 0.22 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 1iuu n ARG 327 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1iuu h TYR 328 N 0.68 -1.56 -0.36 -1.55 3.20 -1.61 -1.74 116.97 114.02 1iuu h TYR 328 Ca 0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1iuu h TYR 328 Cb 0.38 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1iuu h TYR 328 CO 0.00 -0.54 0.13 0.77 -1.64 0.00 0.00 178.16 176.88 1iuu h SER 329 N -0.58 0.14 -0.83 -2.11 0.02 -1.84 -1.46 113.55 106.90 1iuu h SER 329 Ca 0.04 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1iuu h SER 329 Cb 0.68 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1iuu h SER 329 CO -0.43 0.12 0.52 0.00 -1.14 0.00 0.00 176.83 175.90 1iuu h ALA 330 N 1.23 1.12 -0.09 3.77 0.00 -1.77 -0.76 119.26 122.75 1iuu h ALA 330 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1iuu h ALA 330 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1iuu h ALA 330 CO -0.16 0.30 -0.07 0.82 0.00 0.00 0.00 179.25 180.14 1iuu h ILE 331 N 0.98 1.34 -0.38 0.00 2.04 -0.99 -3.20 117.51 117.31 1iuu h ILE 331 Ca 0.35 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1iuu h ILE 331 Cb 0.10 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1iuu h ILE 331 CO -0.15 0.33 0.03 0.00 0.00 0.00 0.00 178.15 178.36 1iuu h LEU 333 N 0.48 0.32 -0.42 0.00 3.38 -1.22 -0.86 115.31 116.99 1iuu h LEU 333 Ca 0.11 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1iuu h LEU 333 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1iuu h LEU 333 CO 0.01 0.22 0.24 0.03 0.09 0.00 0.00 178.44 179.03 1iuu h ARG 334 N 0.37 0.47 -0.18 1.13 3.08 -1.55 -1.61 114.38 116.09 1iuu h ARG 334 Ca 0.16 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 1iuu h ARG 334 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1iuu h ARG 334 CO -0.04 0.31 -0.70 -0.09 -1.07 0.00 0.00 179.97 178.38 1iuu h ARG 335 N 0.48 0.73 -0.02 0.04 2.43 -1.50 -3.12 114.38 113.42 1iuu h ARG 335 Ca 0.17 -0.56 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1iuu h ARG 335 Cb 0.03 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1iuu h ARG 335 CO -0.09 1.17 -0.01 0.82 -1.51 0.00 0.00 179.97 180.35 1iuu h ILE 336 N 0.52 0.96 -0.70 1.20 2.04 -1.02 -1.75 117.51 118.76 1iuu h ILE 336 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1iuu h ILE 336 Cb 1.31 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1iuu h ILE 336 CO 0.14 0.00 0.34 -0.50 0.00 0.00 0.00 178.15 178.13 1iuu h TRP 337 N -0.01 0.99 -0.28 1.37 4.06 -1.35 0.25 115.95 120.98 1iuu h TRP 337 Ca 0.01 -0.04 -0.13 0.00 2.06 0.00 0.00 58.89 60.79 1iuu h TRP 337 Cb 0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.86 1iuu h TRP 337 CO -0.10 0.72 -0.37 0.87 -3.56 0.00 0.00 178.44 176.00 1iuu h LYS 338 N 1.00 0.65 -0.21 0.49 1.57 -1.46 0.63 116.57 119.24 1iuu h LYS 338 Ca 0.24 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1iuu h LYS 338 Cb 0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1iuu h LYS 338 CO -0.03 0.92 -0.49 0.00 -0.57 0.00 0.00 179.45 179.28 1iuu h ALA 339 N 1.05 0.76 -0.39 3.86 0.00 -0.87 -1.71 119.26 121.96 1iuu h ALA 339 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1iuu h ALA 339 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1iuu h ALA 339 CO 0.08 0.67 0.07 0.93 0.00 0.00 0.00 179.25 180.99 1iuu h GLU 340 N 0.44 0.65 -0.53 0.00 4.39 -0.26 -0.85 114.58 118.43 1iuu h GLU 340 Ca 0.02 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1iuu h GLU 340 Cb 1.01 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 1iuu h GLU 340 CO 0.09 0.70 0.30 -0.09 -1.16 0.00 0.00 179.01 178.85 1iuu h ARG 341 N 0.50 0.56 -0.15 2.33 2.43 -0.69 -0.47 114.38 118.88 1iuu h ARG 341 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1iuu h ARG 341 Cb 0.36 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1iuu h ARG 341 CO 0.01 0.37 0.06 0.35 -1.51 0.00 0.00 179.97 179.25 1iuu h PHE 342 N 0.58 0.24 -0.78 2.20 3.57 -1.14 -0.66 116.94 120.95 1iuu h PHE 342 Ca 0.22 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1iuu h PHE 342 Cb 0.07 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1iuu h PHE 342 CO -0.08 0.31 0.51 0.77 -2.23 0.00 0.00 178.31 177.59 1iuu h SER 343 N 0.09 0.90 -0.23 0.41 0.02 -0.96 -0.38 113.55 113.40 1iuu h SER 343 Ca 0.05 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1iuu h SER 343 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1iuu h SER 343 CO -0.00 0.66 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.07 1iuu h TRP 344 N 1.06 0.46 -0.38 3.45 7.01 -0.97 -1.42 115.95 125.16 1iuu h TRP 344 Ca 0.28 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1iuu h TRP 344 Cb -0.11 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1iuu h TRP 344 CO 0.00 0.62 0.23 2.35 -2.79 0.00 0.00 178.44 178.85 1iuu h TRP 345 N 0.17 0.49 -0.46 2.65 7.01 -0.49 -0.54 115.95 124.77 1iuu h TRP 345 Ca 0.06 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1iuu h TRP 345 Cb 0.45 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1iuu h TRP 345 CO 0.04 0.35 0.30 0.52 -2.79 0.00 0.00 178.44 176.86 1iuu h MET 346 N 0.49 0.60 -0.43 2.65 2.86 -1.05 -1.93 114.93 118.13 1iuu h MET 346 Ca 0.14 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1iuu h MET 346 Cb -0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1iuu h MET 346 CO -0.03 0.40 0.28 1.15 1.06 0.00 0.00 176.91 179.77 1iuu h THR 347 N 0.62 1.09 0.00 2.22 2.02 -0.96 -2.00 112.91 115.90 1iuu h THR 347 Ca 0.17 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1iuu h THR 347 Cb -0.06 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1iuu h THR 347 CO -0.04 0.10 -0.34 0.77 0.37 0.00 0.00 175.52 176.38 1iuu h SER 348 N 0.56 0.00 0.73 4.18 4.64 -0.63 -2.73 113.55 120.30 1iuu h SER 348 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1iuu h SER 348 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1iuu h SER 348 CO -0.05 0.34 -1.20 1.33 -0.87 0.00 0.00 176.83 176.38 1iuu n VAL 349 N -3.74 0.44 0.01 0.95 0.24 -0.77 -4.41 118.33 111.05 1iuu n VAL 349 Ca -0.01 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.89 1iuu n VAL 349 Cb 0.43 -0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 32.45 1iuu n VAL 349 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1iuu n LEU 350 N -2.51 0.19 -4.95 1.34 4.77 -0.77 -4.93 117.00 110.14 1iuu n LEU 350 Ca -0.01 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 1iuu n LEU 350 Cb 0.54 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1iuu n LEU 350 CO 0.41 -0.04 -0.05 -1.00 -1.33 0.00 0.00 177.39 175.38 1iuu s HIS 351 N -3.48 3.42 -0.27 -1.77 3.76 -1.04 -4.29 115.29 111.62 1iuu s HIS 351 Ca -0.06 -0.02 -0.12 0.00 -0.15 0.00 0.00 55.06 54.71 1iuu s HIS 351 Cb 0.13 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1iuu s HIS 351 CO 0.88 0.45 0.22 1.03 -0.85 0.00 0.00 174.74 176.48 1iuu s ARG 352 N -3.94 3.97 0.07 1.40 3.00 -1.26 -4.95 118.95 117.24 1iuu s ARG 352 Ca 0.34 -0.25 -0.11 0.00 0.00 0.00 0.00 55.73 55.72 1iuu s ARG 352 Cb -0.09 -3.65 -0.06 0.00 0.00 0.00 0.00 34.95 31.16 1iuu s ARG 352 CO 0.29 -0.18 0.40 -0.06 0.00 0.00 0.00 175.30 175.75 1iuu s PHE 353 N 1.75 3.60 0.31 -0.53 0.40 -1.26 -4.98 117.98 117.28 1iuu s PHE 353 Ca 0.09 0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 56.94 1iuu s PHE 353 Cb -0.16 -2.18 -0.10 0.00 0.51 0.00 0.00 43.02 41.09 1iuu s PHE 353 CO 0.10 0.54 1.34 -2.14 0.70 0.00 0.00 175.22 175.77 1iuu s PRO 354 N -1.78 4.32 -0.91 0.24 0.02 -1.26 -3.94 135.00 131.70 1iuu s PRO 354 Ca 0.31 2.25 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 1iuu s PRO 354 Cb -0.14 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.30 1iuu s PRO 354 CO 0.17 -0.26 0.69 -0.25 -0.33 0.00 0.00 177.00 177.02 1iuu n ASP 355 N 1.16 -5.78 -4.69 2.53 8.00 -1.26 -4.98 116.55 111.52 1iuu n ASP 355 Ca 0.02 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.42 1iuu n ASP 355 Cb 0.41 -3.17 -0.09 0.00 -0.02 0.00 0.00 41.12 38.26 1iuu n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iuu s THR 356 N -3.15 4.86 0.70 -3.53 2.01 -1.25 -5.10 115.64 110.18 1iuu s THR 356 Ca 0.16 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1iuu s THR 356 Cb -0.06 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1iuu s THR 356 CO 0.85 0.51 1.07 1.51 -0.69 0.00 0.00 174.62 177.87 1iuu s ASP 357 N -0.10 5.46 0.23 3.53 1.47 -1.26 -4.90 116.67 121.11 1iuu s ASP 357 Ca 0.07 1.35 -0.06 0.00 1.18 0.00 0.00 52.55 55.08 1iuu s ASP 357 Cb -0.12 -2.22 0.39 0.00 -0.34 0.00 0.00 42.92 40.63 1iuu s ASP 357 CO 0.01 -1.36 1.72 0.00 0.68 0.00 0.00 175.17 176.23 1iuu h ALA 358 N -0.66 0.93 0.14 2.11 0.00 -2.00 -2.66 119.26 117.11 1iuu h ALA 358 Ca -0.45 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1iuu h ALA 358 Cb 1.23 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1iuu h ALA 358 CO 0.61 -0.24 -0.28 0.35 0.00 0.00 0.00 179.25 179.70 1iuu h PHE 359 N 0.38 -0.74 -0.85 0.00 3.57 -1.99 -2.31 116.94 114.99 1iuu h PHE 359 Ca 0.37 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.97 1iuu h PHE 359 Cb 0.55 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1iuu h PHE 359 CO -0.19 -0.38 0.55 0.77 -2.23 0.00 0.00 178.31 176.83 1iuu h SER 360 N -0.50 0.78 -0.56 0.41 0.02 -1.87 0.76 113.55 112.58 1iuu h SER 360 Ca 0.02 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1iuu h SER 360 Cb 0.52 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1iuu h SER 360 CO -0.14 0.47 0.18 1.56 -1.14 0.00 0.00 176.83 177.76 1iuu h GLN 361 N 0.87 0.87 -0.55 3.45 4.20 -1.30 0.43 115.11 123.08 1iuu h GLN 361 Ca 0.38 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 1iuu h GLN 361 Cb 0.35 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1iuu h GLN 361 CO -0.15 0.79 -0.05 0.00 -0.67 0.00 0.00 178.83 178.74 1iuu h ARG 362 N 0.78 0.99 -0.41 1.46 2.47 -0.73 -1.86 114.38 117.08 1iuu h ARG 362 Ca 0.18 -0.33 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 1iuu h ARG 362 Cb 0.28 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1iuu h ARG 362 CO -0.01 1.00 -0.12 0.82 0.56 0.00 0.00 179.97 182.22 1iuu h ILE 363 N 0.89 1.25 -0.34 2.04 1.08 -0.60 -1.19 117.51 120.65 1iuu h ILE 363 Ca 0.15 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1iuu h ILE 363 Cb 0.59 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1iuu h ILE 363 CO 0.04 0.39 0.17 -0.61 -0.69 0.00 0.00 178.15 177.45 1iuu h GLN 364 N 0.66 0.48 -0.68 2.37 4.15 -0.55 0.94 115.11 122.47 1iuu h GLN 364 Ca 0.11 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1iuu h GLN 364 Cb 0.58 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 1iuu h GLN 364 CO 0.04 0.42 0.13 0.37 -1.93 0.00 0.00 178.83 177.86 1iuu h GLN 365 N 0.41 1.10 -0.22 1.69 4.15 -1.23 -2.88 115.11 118.14 1iuu h GLN 365 Ca 0.12 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.16 1iuu h GLN 365 Cb 0.09 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1iuu h GLN 365 CO -0.02 1.00 -0.25 1.15 -1.93 0.00 0.00 178.83 178.78 1iuu h THR 366 N 1.03 1.26 -0.29 2.39 2.02 -0.70 -1.17 112.91 117.45 1iuu h THR 366 Ca 0.21 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1iuu h THR 366 Cb 0.41 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1iuu h THR 366 CO 0.01 0.39 0.17 -0.33 0.37 0.00 0.00 175.52 176.13 1iuu h GLU 367 N 0.37 0.34 0.13 6.66 4.39 -0.67 0.95 114.58 126.76 1iuu h GLU 367 Ca 0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1iuu h GLU 367 Cb 0.64 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1iuu h GLU 367 CO 0.05 0.22 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.99 1iuu h LEU 368 N 0.35 -0.15 -1.23 1.33 3.38 -1.26 -0.52 115.31 117.21 1iuu h LEU 368 Ca 0.11 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1iuu h LEU 368 Cb -0.00 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1iuu h LEU 368 CO -0.05 -0.05 0.54 -0.33 0.09 0.00 0.00 178.44 178.64 1iuu h GLU 369 N -0.24 0.95 0.26 1.13 5.08 -1.01 -0.57 114.58 120.18 1iuu h GLU 369 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1iuu h GLU 369 Cb 0.19 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1iuu h GLU 369 CO 0.03 0.63 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.63 1iuu h TYR 370 N 0.98 -0.32 -0.24 4.33 3.20 -0.53 -2.57 116.97 121.82 1iuu h TYR 370 Ca 0.33 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1iuu h TYR 370 Cb 0.09 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1iuu h TYR 370 CO -0.00 0.01 0.16 1.88 -1.64 0.00 0.00 178.16 178.56 1iuu h TYR 371 N -0.97 0.29 0.00 -3.82 -1.99 -0.96 -1.57 116.97 107.95 1iuu h TYR 371 Ca -0.04 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1iuu h TYR 371 Cb 0.47 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1iuu h TYR 371 CO 0.05 0.18 -0.36 1.28 -0.00 0.00 0.00 178.16 179.31 1iuu n LEU 372 N -4.50 0.41 -0.00 3.88 4.32 -0.23 -1.43 117.00 119.44 1iuu n LEU 372 Ca 0.01 0.20 0.07 0.00 -0.02 0.00 0.00 56.01 56.26 1iuu n LEU 372 Cb 0.08 -0.31 -0.09 0.00 -1.62 0.00 0.00 43.42 41.48 1iuu n LEU 372 CO 0.35 0.05 -0.31 0.61 -1.22 0.00 0.00 177.39 176.86 1iuu n GLY 373 N 1.47 -0.42 3.73 -0.72 0.00 -0.79 -4.93 105.19 103.52 1iuu n GLY 373 Ca 0.06 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1iuu n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iuu s SER 374 N -2.85 5.75 0.34 1.61 0.15 -0.66 -4.99 113.70 113.04 1iuu s SER 374 Ca 0.01 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1iuu s SER 374 Cb 0.10 -1.83 0.59 0.00 -1.71 0.00 0.00 66.02 63.16 1iuu s SER 374 CO 0.56 0.32 2.00 -0.33 1.20 0.00 0.00 173.24 176.99 1iuu h GLU 375 N 5.61 0.88 -0.10 5.44 4.39 -1.91 0.59 114.58 129.49 1iuu h GLU 375 Ca -0.48 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 58.98 1iuu h GLU 375 Cb 1.20 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1iuu h GLU 375 CO 0.61 0.59 -0.73 0.00 -1.16 0.00 0.00 179.01 178.32 1iuu h ALA 376 N 1.57 0.54 -0.18 3.43 0.00 -1.94 -2.55 119.26 120.13 1iuu h ALA 376 Ca 0.24 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1iuu h ALA 376 Cb -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1iuu h ALA 376 CO -0.05 0.74 0.05 0.78 0.00 0.00 0.00 179.25 180.77 1iuu h GLY 377 N 1.11 0.31 0.74 0.00 0.00 -1.49 -2.64 103.07 101.10 1iuu h GLY 377 Ca -0.03 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1iuu h GLY 377 CO 0.13 0.17 0.47 1.41 0.00 0.00 0.00 176.54 178.72 1iuu h LEU 378 N 0.11 0.73 -1.40 3.11 3.38 0.27 -1.99 115.31 119.53 1iuu h LEU 378 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1iuu h LEU 378 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1iuu h LEU 378 CO -0.00 0.48 -0.23 0.00 0.09 0.00 0.00 178.44 178.77 1iuu h ALA 379 N 1.37 1.50 -0.13 1.53 0.00 -1.30 -0.50 119.26 121.74 1iuu h ALA 379 Ca 0.34 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1iuu h ALA 379 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iuu h ALA 379 CO -0.16 0.36 -0.57 1.79 0.00 0.00 0.00 179.25 180.67 1iuu h THR 380 N 0.09 1.35 0.14 0.00 1.35 -1.00 -1.15 112.91 113.69 1iuu h THR 380 Ca 0.02 -1.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 1iuu h THR 380 Cb 0.47 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1iuu h THR 380 CO 0.03 0.56 -0.07 0.40 -0.25 0.00 0.00 175.52 176.20 1iuu h ILE 381 N 0.30 1.02 -0.44 6.82 2.04 -1.19 -2.95 117.51 123.10 1iuu h ILE 381 Ca 0.00 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1iuu h ILE 381 Cb 1.08 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1iuu h ILE 381 CO 0.10 0.22 0.18 0.00 0.00 0.00 0.00 178.15 178.65 1iuu h ALA 382 N 0.04 0.54 -0.11 1.87 0.00 -1.09 0.39 119.26 120.90 1iuu h ALA 382 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1iuu h ALA 382 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1iuu h ALA 382 CO 0.03 -0.20 -0.30 1.05 0.00 0.00 0.00 179.25 179.83 1iuu h GLU 383 N 0.37 0.21 0.02 0.00 4.11 -1.30 -1.18 114.58 116.80 1iuu h GLU 383 Ca 0.20 -0.07 -0.23 0.00 0.07 0.00 0.00 59.36 59.33 1iuu h GLU 383 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1iuu h GLU 383 CO -0.19 0.49 -0.98 -0.91 0.07 0.00 0.00 179.01 177.50 1iuu h ASN 384 N 0.18 0.51 -0.28 3.06 2.35 -1.23 -2.94 115.58 117.23 1iuu h ASN 384 Ca 0.03 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.30 1iuu h ASN 384 Cb 0.63 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1iuu h ASN 384 CO 0.05 1.23 -0.06 0.22 -1.65 0.00 0.00 177.43 177.22 1iuu h TYR 385 N 0.20 0.59 0.00 1.19 3.20 0.26 -2.59 116.97 119.82 1iuu h TYR 385 Ca -0.08 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 1iuu h TYR 385 Cb 1.62 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1iuu h TYR 385 CO 0.06 0.73 -0.01 -0.39 -1.64 0.00 0.00 178.16 176.91 1iuu h VAL 386 N 0.29 0.03 0.00 1.81 -1.51 -1.32 -3.48 116.25 112.06 1iuu h VAL 386 Ca 0.07 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1iuu h VAL 386 Cb 0.53 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1iuu h VAL 386 CO 0.03 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 1iuu n GLY 387 N 0.18 2.26 3.75 5.19 0.00 -0.98 -4.14 105.19 111.46 1iuu n GLY 387 Ca 0.01 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1iuu n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iuu s LEU 388 N 0.00 3.54 0.55 0.99 1.02 -1.25 -4.88 118.68 118.65 1iuu s LEU 388 Ca 0.00 2.28 -0.22 0.00 0.02 0.00 0.00 54.13 56.21 1iuu s LEU 388 Cb 0.00 -4.58 -0.05 0.00 0.02 0.00 0.00 46.19 41.58 1iuu s LEU 388 CO 0.00 -1.70 1.34 -2.16 0.02 0.00 0.00 176.35 173.85 1iuu s PRO 389 N -3.60 3.15 0.54 1.29 0.04 -1.26 -5.00 135.00 130.16 1iuu s PRO 389 Ca 0.74 2.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.78 1iuu s PRO 389 Cb -0.27 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 1iuu s PRO 389 CO 0.37 -1.16 1.07 0.71 0.04 0.00 0.00 177.00 178.02 1iuu s TYR 390 N -1.33 2.87 0.40 0.56 1.51 -1.26 -5.03 117.35 115.07 1iuu s TYR 390 Ca 0.72 1.55 -0.14 0.00 -1.01 0.00 0.00 57.07 58.19 1iuu s TYR 390 Cb -0.39 -3.12 -0.08 0.00 -0.11 0.00 0.00 41.96 38.26 1iuu s TYR 390 CO 0.46 -1.17 0.81 -2.00 -1.11 0.00 0.00 175.55 172.53 1iuu s GLU 391 N -3.54 3.92 0.19 -0.62 2.12 -1.26 -5.01 118.70 114.51 1iuu s GLU 391 Ca 0.68 0.67 0.24 0.00 0.36 0.00 0.00 54.97 56.92 1iuu s GLU 391 Cb -0.19 -2.34 0.40 0.00 0.26 0.00 0.00 34.13 32.26 1iuu s GLU 391 CO 0.28 -0.01 1.42 1.49 -0.54 0.00 0.00 175.26 177.90 1iuu h GLU 392 N 1.59 0.00 -0.13 4.30 4.57 -2.01 -3.50 114.58 119.40 1iuu h GLU 392 Ca -0.47 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1iuu h GLU 392 Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1iuu h GLU 392 CO 0.64 0.00 -0.04 -0.89 -1.18 0.00 0.00 179.01 177.53 1iuu n ILE 393 N -2.35 -0.06 -0.73 2.32 5.41 -1.26 -5.14 119.36 117.54 1iuu n ILE 393 Ca 0.03 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1iuu n ILE 393 Cb 0.46 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1iuu n ILE 393 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76