#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ae6 s ILE 2 N 0.00 4.41 0.09 5.09 1.01 -1.26 -4.14 121.20 126.39 1ae6 s ILE 2 Ca 0.00 1.66 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 1ae6 s ILE 2 Cb 0.00 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 1ae6 s ILE 2 CO 0.00 -0.32 0.18 0.00 0.00 0.00 0.00 174.94 174.80 1ae6 s GLN 3 N 3.62 0.83 -0.14 2.79 -2.07 -0.90 -4.96 119.66 118.82 1ae6 s GLN 3 Ca 0.50 -0.97 -0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1ae6 s GLN 3 Cb -0.16 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.12 1ae6 s GLN 3 CO 0.15 -0.26 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.25 1ae6 s LEU 4 N -2.85 1.54 -0.23 2.60 1.02 -1.26 -0.07 118.68 119.43 1ae6 s LEU 4 Ca 0.05 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 1ae6 s LEU 4 Cb 0.05 -1.00 -0.00 0.00 0.02 0.00 0.00 46.19 45.25 1ae6 s LEU 4 CO -0.11 -0.11 -0.04 0.00 0.02 0.00 0.00 176.35 176.11 1ae6 s GLN 5 N 1.59 3.29 0.49 1.70 -2.07 0.52 -4.22 119.66 120.95 1ae6 s GLN 5 Ca 0.04 -0.69 -0.05 0.00 -1.82 0.00 0.00 55.36 52.84 1ae6 s GLN 5 Cb -0.13 -3.03 -0.03 0.00 -1.09 0.00 0.00 33.01 28.72 1ae6 s GLN 5 CO -0.09 -0.24 0.79 -0.65 -1.32 0.00 0.00 175.29 173.78 1ae6 s GLN 6 N 1.46 3.46 0.12 9.60 -0.21 -1.26 -0.87 119.66 131.95 1ae6 s GLN 6 Ca 0.05 0.15 -0.32 0.00 0.02 0.00 0.00 55.36 55.26 1ae6 s GLN 6 Cb -0.15 -2.37 -0.10 0.00 1.00 0.00 0.00 33.01 31.39 1ae6 s GLN 6 CO -0.03 -0.26 1.57 0.66 -2.12 0.00 0.00 175.29 175.12 1ae6 h SER 7 N 0.19 -1.40 -4.87 5.90 4.64 -1.90 -3.47 113.55 112.64 1ae6 h SER 7 Ca -0.47 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1ae6 h SER 7 Cb 1.21 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1ae6 h SER 7 CO 0.61 -0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1ae6 n GLY 8 N -1.46 0.36 3.58 -0.77 0.00 -1.26 -5.03 105.19 100.60 1ae6 n GLY 8 Ca -0.07 -2.26 -0.61 0.00 0.00 0.00 0.00 46.02 43.09 1ae6 n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ae6 n PRO 9 N -0.09 0.14 -4.46 1.61 -0.02 -1.26 -4.54 135.00 126.38 1ae6 n PRO 9 Ca 0.00 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.19 1ae6 n PRO 9 Cb 0.00 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 1ae6 n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ae6 s GLU 10 N 0.92 3.51 -1.34 -0.52 0.41 -0.81 -5.01 118.70 115.86 1ae6 s GLU 10 Ca 0.94 -0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 54.84 1ae6 s GLU 10 Cb -1.29 -2.82 0.11 0.00 -1.78 0.00 0.00 34.13 28.34 1ae6 s GLU 10 CO 0.63 0.15 2.40 1.47 -0.49 0.00 0.00 175.26 179.42 1ae6 n LEU 11 N 3.75 8.02 -4.61 1.80 -0.00 -1.26 -2.89 117.00 121.81 1ae6 n LEU 11 Ca -0.18 -4.83 -0.28 0.00 -0.00 0.00 0.00 56.01 50.72 1ae6 n LEU 11 Cb 0.52 -1.38 -0.09 0.00 -0.00 0.00 0.00 43.42 42.47 1ae6 n LEU 11 CO 0.31 2.02 -0.38 0.68 -0.00 0.00 0.00 177.39 180.02 1ae6 s VAL 12 N -0.78 3.49 0.27 1.47 -7.23 -1.16 -5.08 120.40 111.38 1ae6 s VAL 12 Ca 0.54 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 1ae6 s VAL 12 Cb 0.18 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1ae6 s VAL 12 CO -0.09 -0.03 0.13 -0.54 -0.31 0.00 0.00 175.10 174.26 1ae6 s LYS 13 N -2.66 2.64 0.44 4.82 1.02 -1.26 -3.54 119.74 121.19 1ae6 s LYS 13 Ca 0.25 -1.24 -0.25 0.00 0.02 0.00 0.00 55.97 54.75 1ae6 s LYS 13 Cb -0.10 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 1ae6 s LYS 13 CO 0.16 0.34 1.26 -2.30 -0.92 0.00 0.00 175.35 173.89 1ae6 n PRO 14 N -1.10 1.86 0.00 -1.68 -0.02 -1.26 -2.85 135.00 129.95 1ae6 n PRO 14 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ae6 n PRO 14 Cb 0.59 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ae6 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ae6 n GLY 15 N 0.83 2.82 0.00 -1.23 0.00 -0.54 -4.95 105.19 102.12 1ae6 n GLY 15 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ae6 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ae6 n ALA 16 N -0.14 0.00 -2.38 4.61 0.00 -1.13 -4.18 120.51 117.29 1ae6 n ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ae6 n ALA 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1ae6 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ae6 s SER 17 N -1.26 0.19 -0.09 0.00 1.04 -1.26 -3.10 113.70 109.22 1ae6 s SER 17 Ca 0.00 -1.10 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 1ae6 s SER 17 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1ae6 s SER 17 CO 0.00 -0.81 0.39 0.54 0.98 0.00 0.00 173.24 174.35 1ae6 s VAL 18 N -4.03 0.02 -0.33 5.02 0.11 -1.11 -5.00 120.40 115.08 1ae6 s VAL 18 Ca 0.23 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1ae6 s VAL 18 Cb 0.06 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1ae6 s VAL 18 CO 0.02 -0.10 0.08 -0.75 -3.33 0.00 0.00 175.10 171.02 1ae6 s LYS 19 N -0.49 2.56 0.15 1.54 2.20 -1.26 -2.15 119.74 122.29 1ae6 s LYS 19 Ca -0.06 -1.22 -0.19 0.00 -0.36 0.00 0.00 55.97 54.14 1ae6 s LYS 19 Cb -0.04 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1ae6 s LYS 19 CO 0.03 -0.67 0.65 0.42 -0.36 0.00 0.00 175.35 175.42 1ae6 s ILE 20 N 1.36 4.65 0.42 5.43 1.01 -0.39 -4.92 121.20 128.76 1ae6 s ILE 20 Ca -0.02 1.23 0.07 0.00 0.00 0.00 0.00 60.65 61.93 1ae6 s ILE 20 Cb -0.20 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1ae6 s ILE 20 CO 0.02 0.37 0.26 -0.55 0.00 0.00 0.00 174.94 175.03 1ae6 s SER 21 N -1.42 4.64 -0.39 3.58 0.15 -1.26 -1.90 113.70 117.10 1ae6 s SER 21 Ca 0.36 -0.99 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1ae6 s SER 21 Cb -0.18 -0.44 0.21 0.00 -1.71 0.00 0.00 66.02 63.90 1ae6 s SER 21 CO 0.21 -0.62 1.00 0.00 1.20 0.00 0.00 173.24 175.03 1ae6 s LYS 23 N 0.91 4.49 -0.04 0.00 2.20 -0.05 -2.97 119.74 124.29 1ae6 s LYS 23 Ca 0.25 1.79 -0.02 0.00 -0.36 0.00 0.00 55.97 57.64 1ae6 s LYS 23 Cb 0.10 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1ae6 s LYS 23 CO -0.09 -0.11 0.09 0.00 -0.36 0.00 0.00 175.35 174.88 1ae6 s ALA 24 N 0.33 3.64 0.16 3.13 0.00 -0.31 -0.36 121.76 128.35 1ae6 s ALA 24 Ca 0.54 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1ae6 s ALA 24 Cb -0.31 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1ae6 s ALA 24 CO 0.33 0.67 0.14 -1.12 0.00 0.00 0.00 175.76 175.78 1ae6 s SER 25 N -1.47 0.20 0.00 0.00 0.01 0.90 -4.77 113.70 108.56 1ae6 s SER 25 Ca 0.20 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1ae6 s SER 25 Cb -0.12 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1ae6 s SER 25 CO 0.11 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1ae6 n GLY 26 N -0.17 0.62 3.82 3.44 0.00 -1.26 -2.12 105.19 109.52 1ae6 n GLY 26 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1ae6 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ae6 s TYR 27 N -2.69 -0.18 -0.33 1.61 1.13 -1.26 -4.64 117.35 110.99 1ae6 s TYR 27 Ca 0.00 -0.23 -0.29 0.00 -1.41 0.00 0.00 57.07 55.15 1ae6 s TYR 27 Cb 0.00 0.68 -0.01 0.00 -1.10 0.00 0.00 41.96 41.54 1ae6 s TYR 27 CO 0.00 -1.11 1.51 0.99 -2.51 0.00 0.00 175.55 174.44 1ae6 s THR 28 N -3.73 3.81 0.41 -3.49 2.01 -1.26 -4.90 115.64 108.50 1ae6 s THR 28 Ca 0.11 0.87 0.09 0.00 0.31 0.00 0.00 61.69 63.07 1ae6 s THR 28 Cb -0.05 -3.97 0.28 0.00 0.01 0.00 0.00 72.50 68.78 1ae6 s THR 28 CO 0.05 -0.53 2.03 0.15 -0.69 0.00 0.00 174.62 175.63 1ae6 h PHE 29 N 10.87 0.53 0.00 4.92 3.57 -1.94 -3.15 116.94 131.74 1ae6 h PHE 29 Ca -0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1ae6 h PHE 29 Cb 1.13 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1ae6 h PHE 29 CO 0.94 0.31 -0.10 1.79 -2.23 0.00 0.00 178.31 179.02 1ae6 h THR 30 N 0.55 0.18 -0.99 4.41 1.35 -1.90 -3.33 112.91 113.17 1ae6 h THR 30 Ca 0.20 -1.07 -0.59 0.00 -0.55 0.00 0.00 66.41 64.41 1ae6 h THR 30 Cb 0.13 1.92 -0.30 0.00 -1.73 0.00 0.00 68.15 68.17 1ae6 h THR 30 CO -0.05 0.09 0.74 0.47 -0.25 0.00 0.00 175.52 176.52 1ae6 n ASP 31 N -3.15 5.43 -3.66 5.36 8.00 -1.19 -3.47 116.55 123.87 1ae6 n ASP 31 Ca 0.03 -3.69 -0.09 0.00 0.71 0.00 0.00 54.79 51.75 1ae6 n ASP 31 Cb 0.50 -0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1ae6 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ae6 s TYR 32 N -3.53 -0.88 0.91 1.24 2.02 -1.25 -4.97 117.35 110.90 1ae6 s TYR 32 Ca 0.60 1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 58.99 1ae6 s TYR 32 Cb 0.49 0.48 0.14 0.00 -0.40 0.00 0.00 41.96 42.66 1ae6 s TYR 32 CO 0.06 -0.45 1.09 0.71 -1.57 0.00 0.00 175.55 175.39 1ae6 s TYR 33 N 1.44 2.29 -0.31 2.71 1.51 -1.18 -4.49 117.35 119.34 1ae6 s TYR 33 Ca -0.09 1.22 -0.02 0.00 -1.01 0.00 0.00 57.07 57.16 1ae6 s TYR 33 Cb -0.06 -3.18 0.10 0.00 -0.11 0.00 0.00 41.96 38.72 1ae6 s TYR 33 CO -0.16 -2.46 0.13 0.42 -1.11 0.00 0.00 175.55 172.37 1ae6 s ILE 34 N -2.94 0.35 0.77 2.71 1.01 -1.17 -1.78 121.20 120.16 1ae6 s ILE 34 Ca 0.64 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1ae6 s ILE 34 Cb -0.18 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.06 1ae6 s ILE 34 CO 0.57 -0.73 1.13 0.20 0.00 0.00 0.00 174.94 176.11 1ae6 s ASN 35 N 1.80 4.85 -0.11 3.58 0.01 0.63 -2.65 114.94 123.05 1ae6 s ASN 35 Ca 0.10 1.04 -0.03 0.00 -0.71 0.00 0.00 52.86 53.26 1ae6 s ASN 35 Cb -0.17 -1.72 0.04 0.00 0.41 0.00 0.00 41.25 39.81 1ae6 s ASN 35 CO -0.29 -1.71 0.05 0.26 -1.51 0.00 0.00 177.10 173.89 1ae6 s TRP 36 N -3.39 0.41 0.04 2.20 0.52 -0.56 -2.16 118.94 116.01 1ae6 s TRP 36 Ca 0.60 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.56 1ae6 s TRP 36 Cb -0.12 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 1ae6 s TRP 36 CO 0.51 -0.39 -0.01 -1.64 0.02 0.00 0.00 176.95 175.44 1ae6 s MET 37 N 2.06 2.63 0.03 4.98 -1.94 0.12 -0.63 119.30 126.54 1ae6 s MET 37 Ca 0.03 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 1ae6 s MET 37 Cb -0.14 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 1ae6 s MET 37 CO -0.06 0.58 -0.05 0.21 -0.01 0.00 0.00 175.02 175.70 1ae6 s LYS 38 N -1.85 2.56 -0.19 2.03 2.20 0.48 0.62 119.74 125.59 1ae6 s LYS 38 Ca 0.22 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1ae6 s LYS 38 Cb -0.11 -2.52 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 1ae6 s LYS 38 CO 0.13 0.59 0.23 -1.14 -0.36 0.00 0.00 175.35 174.80 1ae6 s GLN 39 N -1.65 0.19 0.52 4.03 0.74 0.18 -0.93 119.66 122.73 1ae6 s GLN 39 Ca 0.19 0.29 -0.21 0.00 0.05 0.00 0.00 55.36 55.69 1ae6 s GLN 39 Cb -0.11 -1.01 -0.06 0.00 1.10 0.00 0.00 33.01 32.93 1ae6 s GLN 39 CO 0.10 -0.60 1.16 0.15 -0.55 0.00 0.00 175.29 175.56 1ae6 s LYS 40 N 2.34 3.43 0.18 1.67 -0.14 -1.26 -1.06 119.74 124.90 1ae6 s LYS 40 Ca 0.06 1.73 0.16 0.00 -1.36 0.00 0.00 55.97 56.57 1ae6 s LYS 40 Cb -0.15 -2.14 0.56 0.00 -1.68 0.00 0.00 37.83 34.41 1ae6 s LYS 40 CO -0.12 -0.81 0.51 -2.30 -0.76 0.00 0.00 175.35 171.87 1ae6 n PRO 41 N -1.05 0.00 -0.24 -1.68 -0.02 -1.26 -2.69 135.00 128.07 1ae6 n PRO 41 Ca 0.10 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1ae6 n PRO 41 Cb 0.49 -0.82 -0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1ae6 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ae6 n GLY 42 N -1.29 -0.02 0.12 -1.23 0.00 -1.26 -5.00 105.19 96.51 1ae6 n GLY 42 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1ae6 n GLY 42 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ae6 h GLN 43 N 0.00 0.00 0.00 1.61 4.15 -1.89 -3.50 115.11 115.48 1ae6 h GLN 43 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ae6 h GLN 43 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1ae6 h GLN 43 CO -0.01 0.13 0.00 0.41 -1.93 0.00 0.00 178.83 177.42 1ae6 n GLY 44 N 1.24 0.06 3.56 2.39 0.00 -1.26 -4.99 105.19 106.19 1ae6 n GLY 44 Ca -0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1ae6 n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ae6 s LEU 45 N 0.00 -0.50 -0.05 0.99 2.96 -1.26 -4.37 118.68 116.45 1ae6 s LEU 45 Ca 0.00 1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 55.08 1ae6 s LEU 45 Cb 0.00 2.24 0.03 0.00 0.50 0.00 0.00 46.19 48.96 1ae6 s LEU 45 CO 0.00 -0.23 0.33 -1.83 -1.32 0.00 0.00 176.35 173.30 1ae6 s GLU 46 N 0.37 0.61 0.22 1.98 -1.05 -0.10 -4.99 118.70 115.73 1ae6 s GLU 46 Ca -0.00 -0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 1ae6 s GLU 46 Cb -0.05 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 1ae6 s GLU 46 CO 0.01 -0.15 1.07 -0.46 0.95 0.00 0.00 175.26 176.68 1ae6 s TRP 47 N -0.93 3.65 -0.10 4.83 -0.00 -1.26 -0.38 118.94 124.74 1ae6 s TRP 47 Ca -0.10 1.69 -0.09 0.00 -0.00 0.00 0.00 56.10 57.60 1ae6 s TRP 47 Cb -0.04 -3.23 -0.05 0.00 -0.00 0.00 0.00 33.47 30.15 1ae6 s TRP 47 CO 0.03 -0.41 -0.20 -0.89 -0.00 0.00 0.00 176.95 175.49 1ae6 n ILE 48 N 1.82 1.12 0.00 5.86 5.41 0.20 -4.81 119.36 128.96 1ae6 n ILE 48 Ca 0.01 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1ae6 n ILE 48 Cb 0.46 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 1ae6 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ae6 n GLY 49 N 2.20 1.68 3.74 7.39 0.00 -1.22 -0.80 105.19 118.19 1ae6 n GLY 49 Ca -0.19 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 1ae6 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ae6 s TRP 50 N -2.00 2.64 -0.18 1.61 1.48 -1.03 -1.49 118.94 119.98 1ae6 s TRP 50 Ca 0.00 -0.50 -0.07 0.00 -1.06 0.00 0.00 56.10 54.47 1ae6 s TRP 50 Cb 0.00 -1.85 0.08 0.00 -1.16 0.00 0.00 33.47 30.54 1ae6 s TRP 50 CO 0.00 0.22 0.38 -1.50 -4.06 0.00 0.00 176.95 171.99 1ae6 s ILE 51 N -2.53 -0.50 -0.35 0.66 2.07 -1.08 -2.90 121.20 116.57 1ae6 s ILE 51 Ca 0.40 0.18 -0.29 0.00 -1.41 0.00 0.00 60.65 59.54 1ae6 s ILE 51 Cb 0.01 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 42.00 1ae6 s ILE 51 CO 0.23 0.08 1.34 -0.62 -1.91 0.00 0.00 174.94 174.06 1ae6 s ASP 52 N 2.38 6.53 0.00 4.50 2.15 -1.01 -3.02 116.67 128.20 1ae6 s ASP 52 Ca -0.02 1.02 0.25 0.00 0.43 0.00 0.00 52.55 54.23 1ae6 s ASP 52 Cb -0.11 -2.54 1.48 0.00 -0.30 0.00 0.00 42.92 41.45 1ae6 s ASP 52 CO -0.12 -1.23 1.86 -0.81 -0.17 0.00 0.00 175.17 174.70 1ae6 n PRO 52 N 7.65 0.75 0.10 4.34 -0.04 -1.26 -2.74 135.00 143.80 1ae6 n PRO 52 Ca 0.15 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1ae6 n PRO 52 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1ae6 n PRO 52 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ae6 h GLY 53 N 3.96 0.00 -5.61 0.55 0.00 -1.89 -3.43 103.07 96.64 1ae6 h GLY 53 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1ae6 h GLY 53 CO 0.00 0.00 -0.02 -0.45 0.00 0.00 0.00 176.54 176.07 1ae6 s SER 54 N -5.63 -0.93 0.00 0.19 0.15 -1.11 -5.05 113.70 101.32 1ae6 s SER 54 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1ae6 s SER 54 Cb 0.09 1.92 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 1ae6 s SER 54 CO 0.78 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1ae6 n GLY 55 N 5.32 0.00 3.67 9.45 0.00 -1.15 -4.29 105.19 118.20 1ae6 n GLY 55 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1ae6 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ae6 s ASN 56 N -0.15 6.62 0.22 1.61 0.01 -1.26 -4.82 114.94 117.16 1ae6 s ASN 56 Ca 0.00 2.40 0.11 0.00 -0.71 0.00 0.00 52.86 54.66 1ae6 s ASN 56 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1ae6 s ASN 56 CO 0.00 -0.92 -0.17 0.42 -1.51 0.00 0.00 177.10 174.92 1ae6 s THR 57 N 3.41 2.69 -0.05 1.60 -4.23 -1.26 -2.41 115.64 115.39 1ae6 s THR 57 Ca 0.75 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1ae6 s THR 57 Cb -0.37 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1ae6 s THR 57 CO 0.32 -0.21 0.02 -0.75 -0.54 0.00 0.00 174.62 173.47 1ae6 s LYS 58 N -3.00 0.28 0.36 3.99 2.36 -1.14 -5.05 119.74 117.54 1ae6 s LYS 58 Ca 0.25 0.20 0.08 0.00 -2.55 0.00 0.00 55.97 53.95 1ae6 s LYS 58 Cb -0.07 -0.69 -0.04 0.00 -1.05 0.00 0.00 37.83 35.98 1ae6 s LYS 58 CO 0.13 -0.27 0.16 0.71 1.55 0.00 0.00 175.35 177.63 1ae6 s TYR 59 N 1.82 2.69 -0.07 4.03 1.51 -1.26 -2.45 117.35 123.62 1ae6 s TYR 59 Ca 0.02 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 1ae6 s TYR 59 Cb -0.12 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1ae6 s TYR 59 CO -0.04 0.28 0.85 1.21 -1.11 0.00 0.00 175.55 176.74 1ae6 s ASN 60 N -3.87 7.13 0.59 2.29 3.84 0.02 -4.91 114.94 120.02 1ae6 s ASN 60 Ca 0.39 1.37 0.29 0.00 0.21 0.00 0.00 52.86 55.12 1ae6 s ASN 60 Cb -0.01 -2.49 1.52 0.00 -0.55 0.00 0.00 41.25 39.72 1ae6 s ASN 60 CO 0.23 -0.25 1.95 1.05 -2.79 0.00 0.00 177.10 177.28 1ae6 h GLU 61 N 6.92 0.00 -0.00 0.43 4.11 -1.94 0.16 114.58 124.26 1ae6 h GLU 61 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1ae6 h GLU 61 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ae6 h GLU 61 CO 0.78 0.00 -0.23 1.63 0.07 0.00 0.00 179.01 181.26 1ae6 n LYS 62 N -3.74 0.06 0.00 1.06 4.76 -1.26 -3.81 118.16 115.23 1ae6 n LYS 62 Ca 0.07 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1ae6 n LYS 62 Cb 0.58 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1ae6 n LYS 62 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ae6 n PHE 63 N -1.45 0.00 -2.28 2.13 3.72 0.16 -5.02 117.46 114.72 1ae6 n PHE 63 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 1ae6 n PHE 63 Cb 0.33 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1ae6 n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1ae6 s LYS 64 N -0.85 4.47 0.00 -1.08 2.20 0.32 -1.66 119.74 123.15 1ae6 s LYS 64 Ca 0.00 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1ae6 s LYS 64 Cb 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1ae6 s LYS 64 CO 0.00 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1ae6 n GLY 65 N 1.35 0.79 0.00 5.54 0.00 -1.26 -4.78 105.19 106.83 1ae6 n GLY 65 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1ae6 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ae6 n LYS 66 N -2.18 0.00 -4.74 1.61 4.81 -1.14 -5.00 118.16 111.52 1ae6 n LYS 66 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1ae6 n LYS 66 Cb 0.06 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.97 1ae6 n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ae6 s ALA 67 N -0.72 2.67 -0.37 3.14 0.00 -0.66 -3.84 121.76 121.97 1ae6 s ALA 67 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1ae6 s ALA 67 Cb 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 23.12 22.00 1ae6 s ALA 67 CO 0.00 0.26 0.19 0.99 0.00 0.00 0.00 175.76 177.20 1ae6 s THR 68 N 0.30 0.76 0.10 0.00 2.01 -0.79 -4.81 115.64 113.21 1ae6 s THR 68 Ca -0.09 -1.88 -0.30 0.00 0.31 0.00 0.00 61.69 59.73 1ae6 s THR 68 Cb -0.15 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.74 1ae6 s THR 68 CO 0.05 -0.86 1.11 -0.76 -0.69 0.00 0.00 174.62 173.46 1ae6 s LEU 69 N 1.01 4.43 -0.10 4.42 1.43 -1.26 -2.50 118.68 126.10 1ae6 s LEU 69 Ca 0.15 1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 1ae6 s LEU 69 Cb -0.22 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1ae6 s LEU 69 CO -0.08 -0.30 0.23 0.42 0.23 0.00 0.00 176.35 176.84 1ae6 s THR 70 N 0.44 -0.10 0.30 5.49 -4.23 -0.83 -5.00 115.64 111.71 1ae6 s THR 70 Ca 0.53 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.21 1ae6 s THR 70 Cb -0.28 -0.36 0.06 0.00 1.34 0.00 0.00 72.50 73.27 1ae6 s THR 70 CO 0.31 0.08 0.41 1.33 -0.54 0.00 0.00 174.62 176.21 1ae6 n VAL 71 N 4.44 0.00 -2.98 2.29 0.24 -1.26 -1.53 118.33 119.53 1ae6 n VAL 71 Ca -0.22 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.34 61.46 1ae6 n VAL 71 Cb 0.52 -1.35 -0.02 0.00 -1.47 0.00 0.00 33.84 31.53 1ae6 n VAL 71 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ae6 s ASP 72 N -2.62 -0.78 0.00 -1.34 2.15 -0.91 -4.87 116.67 108.30 1ae6 s ASP 72 Ca 0.26 -1.81 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1ae6 s ASP 72 Cb -0.01 1.41 0.00 0.00 -0.30 0.00 0.00 42.92 44.02 1ae6 s ASP 72 CO 0.18 -0.10 0.31 0.41 -0.17 0.00 0.00 175.17 175.80 1ae6 n THR 73 N 3.24 0.00 0.15 1.71 -1.04 -1.26 -2.75 114.28 114.33 1ae6 n THR 73 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1ae6 n THR 73 Cb 0.54 -0.26 0.23 0.00 -1.82 0.00 0.00 70.33 69.01 1ae6 n THR 73 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1ae6 h SER 74 N 0.39 0.00 0.00 8.00 0.87 -1.94 -3.45 113.55 117.41 1ae6 h SER 74 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ae6 h SER 74 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1ae6 h SER 74 CO 0.00 0.54 0.00 -1.20 -0.53 0.00 0.00 176.83 175.64 1ae6 n SER 75 N -3.81 0.00 -1.87 6.23 7.64 -1.11 -5.08 113.62 115.62 1ae6 n SER 75 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 1ae6 n SER 75 Cb 0.57 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1ae6 n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ae6 n SER 76 N 0.00 -1.11 -4.91 6.43 7.64 -1.24 -4.88 113.62 115.55 1ae6 n SER 76 Ca 0.00 -1.93 -0.22 0.00 1.01 0.00 0.00 58.87 57.74 1ae6 n SER 76 Cb 0.00 0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1ae6 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ae6 s THR 77 N 0.07 4.93 0.01 0.44 2.01 -1.23 -1.16 115.64 120.71 1ae6 s THR 77 Ca 0.05 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1ae6 s THR 77 Cb 0.23 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1ae6 s THR 77 CO -0.07 -0.33 -0.02 0.00 -0.69 0.00 0.00 174.62 173.51 1ae6 s ALA 78 N -2.03 0.15 0.12 7.40 0.00 -1.16 -2.14 121.76 124.10 1ae6 s ALA 78 Ca 0.33 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1ae6 s ALA 78 Cb -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ae6 s ALA 78 CO 0.27 -0.05 -0.05 0.71 0.00 0.00 0.00 175.76 176.64 1ae6 s TYR 79 N -0.72 1.01 -0.16 0.00 1.51 -0.58 -1.24 117.35 117.17 1ae6 s TYR 79 Ca -0.07 -0.94 -0.06 0.00 -1.01 0.00 0.00 57.07 54.99 1ae6 s TYR 79 Cb -0.05 -0.57 0.07 0.00 -0.11 0.00 0.00 41.96 41.30 1ae6 s TYR 79 CO -0.00 -0.16 0.33 1.41 -1.11 0.00 0.00 175.55 176.02 1ae6 s MET 80 N -3.85 0.24 -0.14 -0.62 1.75 -0.80 -1.96 119.30 113.92 1ae6 s MET 80 Ca 0.16 0.84 -0.07 0.00 -1.25 0.00 0.00 55.69 55.37 1ae6 s MET 80 Cb 0.05 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.78 1ae6 s MET 80 CO -0.02 -0.25 0.11 -0.65 -0.65 0.00 0.00 175.02 173.57 1ae6 s GLN 81 N 2.29 3.65 0.18 4.11 -0.21 -1.04 -1.27 119.66 127.37 1ae6 s GLN 81 Ca -0.02 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.26 1ae6 s GLN 81 Cb -0.11 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 1ae6 s GLN 81 CO -0.10 0.59 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.91 1ae6 s LEU 82 N -0.49 2.46 0.00 2.90 1.02 -0.92 -1.89 118.68 121.76 1ae6 s LEU 82 Ca 0.12 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.45 1ae6 s LEU 82 Cb -0.12 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.87 1ae6 s LEU 82 CO 0.02 0.13 0.00 -1.20 0.02 0.00 0.00 176.35 175.32 1ae6 n SER 82 N 0.39 0.00 -4.76 2.29 7.64 -1.18 -2.74 113.62 115.26 1ae6 n SER 82 Ca -0.14 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 1ae6 n SER 82 Cb 0.55 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1ae6 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ae6 s LEU 82 N -2.64 4.36 0.34 -3.43 1.43 -1.20 -4.77 118.68 112.76 1ae6 s LEU 82 Ca 0.00 2.85 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 1ae6 s LEU 82 Cb 0.00 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1ae6 s LEU 82 CO 0.00 -0.80 0.03 0.42 0.23 0.00 0.00 176.35 176.23 1ae6 s THR 83 N -0.33 1.43 -0.47 5.49 -4.23 -1.26 -1.46 115.64 114.82 1ae6 s THR 83 Ca 0.59 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 59.27 1ae6 s THR 83 Cb -0.45 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 70.78 1ae6 s THR 83 CO 0.50 -0.03 1.58 -1.20 -0.54 0.00 0.00 174.62 174.93 1ae6 n SER 84 N -0.74 0.48 0.00 3.99 7.64 -1.26 -1.27 113.62 122.46 1ae6 n SER 84 Ca -0.03 0.67 0.14 0.00 1.01 0.00 0.00 58.87 60.66 1ae6 n SER 84 Cb 0.66 -0.76 0.82 0.00 -1.01 0.00 0.00 64.21 63.93 1ae6 n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ae6 n GLU 85 N -2.09 0.79 0.00 1.43 -0.58 -1.26 -2.69 120.64 116.23 1ae6 n GLU 85 Ca 0.00 0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 1ae6 n GLU 85 Cb 0.11 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 1ae6 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ae6 n ASP 86 N -1.07 1.34 -4.57 1.62 8.00 -0.40 -4.90 116.55 116.57 1ae6 n ASP 86 Ca 0.20 -1.17 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 1ae6 n ASP 86 Cb 0.13 0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1ae6 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ae6 s THR 87 N -2.39 3.36 0.05 -3.53 2.01 -1.10 -4.82 115.64 109.23 1ae6 s THR 87 Ca 0.11 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 1ae6 s THR 87 Cb 0.14 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 69.02 1ae6 s THR 87 CO 0.59 -0.55 0.48 0.00 -0.69 0.00 0.00 174.62 174.45 1ae6 n ALA 88 N 11.95 -1.29 -2.81 7.40 0.00 -0.81 -4.69 120.51 130.27 1ae6 n ALA 88 Ca 0.24 -0.41 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1ae6 n ALA 88 Cb 0.50 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 1ae6 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ae6 s VAL 89 N -2.27 4.87 -0.14 0.00 1.01 -0.22 -0.88 120.40 122.77 1ae6 s VAL 89 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1ae6 s VAL 89 Cb -0.01 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1ae6 s VAL 89 CO 0.01 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 1ae6 s TYR 90 N 0.28 2.74 0.15 5.22 2.02 -0.87 0.48 117.35 127.38 1ae6 s TYR 90 Ca 0.04 -1.02 0.05 0.00 -0.37 0.00 0.00 57.07 55.77 1ae6 s TYR 90 Cb -0.12 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1ae6 s TYR 90 CO -0.00 -0.45 0.14 -0.06 -1.57 0.00 0.00 175.55 173.61 1ae6 s PHE 91 N 0.69 3.17 -0.20 2.71 0.08 0.20 -0.67 117.98 123.96 1ae6 s PHE 91 Ca -0.08 0.00 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 1ae6 s PHE 91 Cb -0.16 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.81 1ae6 s PHE 91 CO 0.02 0.52 -0.04 0.00 -0.10 0.00 0.00 175.22 175.61 1ae6 s ALA 93 N 1.54 2.76 1.14 0.00 0.00 -0.92 -1.36 121.76 124.92 1ae6 s ALA 93 Ca -0.03 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 1ae6 s ALA 93 Cb -0.17 -1.00 0.27 0.00 0.00 0.00 0.00 23.12 22.22 1ae6 s ALA 93 CO -0.07 0.57 1.21 0.50 0.00 0.00 0.00 175.76 177.97 1ae6 s ARG 94 N -0.93 -0.76 -0.27 0.00 3.52 -0.90 -0.27 118.95 119.34 1ae6 s ARG 94 Ca 0.13 -0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 55.19 1ae6 s ARG 94 Cb -0.11 -1.67 0.07 0.00 -1.56 0.00 0.00 34.95 31.68 1ae6 s ARG 94 CO 0.02 -3.36 0.71 -2.00 -0.81 0.00 0.00 175.30 169.86 1ae6 s GLU 95 N -5.69 0.79 -1.03 5.12 2.12 -0.73 -4.00 118.70 115.27 1ae6 s GLU 95 Ca 0.74 1.09 -0.02 0.00 0.36 0.00 0.00 54.97 57.14 1ae6 s GLU 95 Cb -0.05 0.30 0.28 0.00 0.26 0.00 0.00 34.13 34.92 1ae6 s GLU 95 CO 0.55 -0.12 2.00 1.17 -0.54 0.00 0.00 175.26 178.31 1ae6 n LYS 96 N 3.33 4.80 0.00 4.30 3.00 -0.88 -3.08 118.16 129.63 1ae6 n LYS 96 Ca -0.16 -4.20 0.00 0.00 -0.00 0.00 0.00 58.31 53.95 1ae6 n LYS 96 Cb 0.57 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.14 1ae6 n LYS 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ae6 n THR 97 N 0.22 0.00 0.00 3.15 -2.24 -1.26 -0.25 114.28 113.90 1ae6 n THR 97 Ca 0.51 0.68 0.00 0.00 -2.27 0.00 0.00 64.05 62.97 1ae6 n THR 97 Cb 0.27 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1ae6 n THR 97 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ae6 n THR 98 N -1.78 0.00 1.03 4.28 -1.04 -1.26 -2.89 114.28 112.62 1ae6 n THR 98 Ca 0.00 0.75 0.09 0.00 -2.04 0.00 0.00 64.05 62.85 1ae6 n THR 98 Cb 0.00 -1.37 0.50 0.00 -1.82 0.00 0.00 70.33 67.64 1ae6 n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ae6 n TYR 99 N -0.44 0.00 0.00 -1.42 0.18 -1.25 -5.04 117.16 109.19 1ae6 n TYR 99 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1ae6 n TYR 99 Cb 0.00 -0.08 0.00 0.00 -0.38 0.00 0.00 39.34 38.88 1ae6 n TYR 99 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1ae6 n TYR 100 N -1.08 0.00 -3.92 -3.48 4.01 0.66 -5.16 117.16 108.19 1ae6 n TYR 100 Ca 0.12 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.50 1ae6 n TYR 100 Cb 0.08 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.99 1ae6 n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ae6 s ALA 100 N 0.00 3.16 -1.05 -0.72 0.00 -1.25 -4.85 121.76 117.05 1ae6 s ALA 100 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 1ae6 s ALA 100 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1ae6 s ALA 100 CO 0.00 -0.25 1.83 -1.64 0.00 0.00 0.00 175.76 175.70 1ae6 s MET 100 N 1.17 2.89 0.00 0.00 -1.94 -1.26 -2.08 119.30 118.08 1ae6 s MET 100 Ca 0.04 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1ae6 s MET 100 Cb -0.14 -5.23 0.00 0.00 2.01 0.00 0.00 34.83 31.47 1ae6 s MET 100 CO 0.03 -3.22 0.07 -0.25 -0.01 0.00 0.00 175.02 171.63 1ae6 n ASP 101 N 12.54 0.00 -4.98 3.03 8.00 -1.26 -4.89 116.55 128.99 1ae6 n ASP 101 Ca 0.41 0.07 -0.20 0.00 0.71 0.00 0.00 54.79 55.78 1ae6 n ASP 101 Cb 0.47 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1ae6 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ae6 s TYR 102 N -0.13 2.87 0.08 1.24 1.51 -1.26 -4.95 117.35 116.70 1ae6 s TYR 102 Ca 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1ae6 s TYR 102 Cb 0.00 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 1ae6 s TYR 102 CO 0.00 -0.71 0.05 -1.58 -1.11 0.00 0.00 175.55 172.20 1ae6 s TRP 103 N -2.63 0.50 0.62 2.71 0.52 -1.26 -2.12 118.94 117.29 1ae6 s TRP 103 Ca 0.56 -0.98 -0.03 0.00 0.02 0.00 0.00 56.10 55.67 1ae6 s TRP 103 Cb -0.10 -0.32 0.13 0.00 -1.15 0.00 0.00 33.47 32.03 1ae6 s TRP 103 CO 0.37 -0.46 0.85 0.41 0.02 0.00 0.00 176.95 178.14 1ae6 n GLY 104 N 0.02 0.22 0.60 0.98 0.00 -0.46 -4.47 105.19 102.08 1ae6 n GLY 104 Ca -0.12 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.05 1ae6 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ae6 n GLN 105 N -2.64 1.78 -0.35 1.61 -0.00 -1.26 -4.77 117.38 111.76 1ae6 n GLN 105 Ca 0.13 -1.18 0.03 0.00 -0.00 0.00 0.00 57.00 55.98 1ae6 n GLN 105 Cb 0.47 -1.39 -0.02 0.00 -0.00 0.00 0.00 30.24 29.30 1ae6 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ae6 n GLY 106 N 1.15 -2.90 2.95 2.61 0.00 -1.26 -4.96 105.19 102.78 1ae6 n GLY 106 Ca 0.16 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1ae6 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ae6 s THR 107 N -3.63 1.29 -0.54 2.61 2.01 0.15 -4.70 115.64 112.82 1ae6 s THR 107 Ca 0.00 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.19 1ae6 s THR 107 Cb 0.00 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1ae6 s THR 107 CO 0.00 0.34 1.21 -0.55 -0.69 0.00 0.00 174.62 174.94 1ae6 s SER 108 N 1.59 6.46 -0.27 3.53 0.15 -1.26 -2.04 113.70 121.86 1ae6 s SER 108 Ca 0.04 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.80 1ae6 s SER 108 Cb -0.13 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1ae6 s SER 108 CO -0.09 -1.45 0.33 -0.69 1.20 0.00 0.00 173.24 172.54 1ae6 s VAL 109 N 4.97 5.21 -0.23 4.45 1.01 -0.06 -1.93 120.40 133.83 1ae6 s VAL 109 Ca 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1ae6 s VAL 109 Cb -0.08 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ae6 s VAL 109 CO 0.27 0.19 -0.09 -0.89 0.00 0.00 0.00 175.10 174.58 1ae6 s THR 110 N 1.95 2.79 -0.38 3.92 2.01 -1.14 -1.92 115.64 122.86 1ae6 s THR 110 Ca 0.13 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1ae6 s THR 110 Cb -0.16 -2.35 0.11 0.00 0.01 0.00 0.00 72.50 70.11 1ae6 s THR 110 CO 0.10 0.30 0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 1ae6 s VAL 111 N 1.34 2.47 0.53 3.82 1.01 -1.25 -3.00 120.40 125.32 1ae6 s VAL 111 Ca 0.02 -2.50 0.05 0.00 0.00 0.00 0.00 61.98 59.56 1ae6 s VAL 111 Cb -0.16 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ae6 s VAL 111 CO -0.06 -0.65 0.37 -0.55 0.00 0.00 0.00 175.10 174.21 1ae6 s SER 112 N 0.79 4.61 0.00 3.32 0.15 -1.23 -4.48 113.70 116.86 1ae6 s SER 112 Ca 0.12 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1ae6 s SER 112 Cb -0.21 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1ae6 s SER 112 CO -0.06 -1.05 0.18 0.00 1.20 0.00 0.00 173.24 173.50 1ae6 n ALA 113 N -1.71 1.52 -3.22 5.45 0.00 -1.26 -4.17 120.51 117.12 1ae6 n ALA 113 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1ae6 n ALA 113 Cb 0.64 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.15 1ae6 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ae6 n ALA 114 N 0.50 -0.87 -2.04 0.00 0.00 -1.26 -5.05 120.51 111.79 1ae6 n ALA 114 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1ae6 n ALA 114 Cb 0.09 -3.84 0.03 0.00 0.00 0.00 0.00 19.45 15.73 1ae6 n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ae6 s LYS 115 N -5.87 2.68 -0.30 0.00 -0.14 -1.26 -5.10 119.74 109.75 1ae6 s LYS 115 Ca 0.39 -0.85 -0.12 0.00 -1.36 0.00 0.00 55.97 54.03 1ae6 s LYS 115 Cb -0.17 -2.56 0.18 0.00 -1.68 0.00 0.00 37.83 33.59 1ae6 s LYS 115 CO 0.48 -0.55 1.00 0.99 -0.76 0.00 0.00 175.35 176.51 1ae6 s THR 116 N -2.64 -0.42 -0.07 2.17 2.01 -1.26 -4.77 115.64 110.66 1ae6 s THR 116 Ca 0.55 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 1ae6 s THR 116 Cb -0.10 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.43 1ae6 s THR 116 CO 0.37 0.00 0.19 -0.89 -0.69 0.00 0.00 174.62 173.60 1ae6 s THR 117 N 2.87 -0.01 0.34 -0.82 2.01 -0.52 -4.94 115.64 114.57 1ae6 s THR 117 Ca 0.01 0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.78 1ae6 s THR 117 Cb -0.10 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 1ae6 s THR 117 CO -0.13 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.73 1ae6 s PRO 118 N 0.30 4.39 1.01 4.92 0.04 -1.26 -1.22 135.00 143.19 1ae6 s PRO 118 Ca -0.02 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 1ae6 s PRO 118 Cb -0.03 -2.87 0.20 0.00 0.04 0.00 0.00 34.50 31.83 1ae6 s PRO 118 CO -0.01 0.03 1.09 -1.25 0.04 0.00 0.00 177.00 176.90 1ae6 s PRO 119 N -1.95 0.31 -0.17 0.56 0.04 -1.26 -4.58 135.00 127.95 1ae6 s PRO 119 Ca 0.51 0.47 0.01 0.00 0.04 0.00 0.00 61.00 62.03 1ae6 s PRO 119 Cb -0.28 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1ae6 s PRO 119 CO 0.35 -2.80 -0.13 -1.12 0.04 0.00 0.00 177.00 173.34 1ae6 s SER 120 N -3.47 2.94 -0.24 6.66 0.01 -0.24 -4.97 113.70 114.38 1ae6 s SER 120 Ca 0.66 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.18 1ae6 s SER 120 Cb -0.19 -1.20 -0.05 0.00 0.21 0.00 0.00 66.02 64.79 1ae6 s SER 120 CO 0.58 -0.09 0.18 -0.69 0.41 0.00 0.00 173.24 173.63 1ae6 s VAL 121 N 1.45 5.35 -0.14 3.43 1.01 -1.26 -1.41 120.40 128.83 1ae6 s VAL 121 Ca 0.03 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1ae6 s VAL 121 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1ae6 s VAL 121 CO -0.10 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 174.82 1ae6 s TYR 122 N 1.10 2.69 0.19 5.22 2.02 0.55 -4.99 117.35 124.13 1ae6 s TYR 122 Ca 0.08 -1.25 -0.30 0.00 -0.37 0.00 0.00 57.07 55.23 1ae6 s TYR 122 Cb -0.14 -1.82 -0.08 0.00 -0.40 0.00 0.00 41.96 39.52 1ae6 s TYR 122 CO 0.05 -0.56 1.19 -1.25 -1.57 0.00 0.00 175.55 173.41 1ae6 s PRO 123 N 0.77 4.50 -0.31 -1.71 0.04 -1.26 -0.79 135.00 136.23 1ae6 s PRO 123 Ca -0.08 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 1ae6 s PRO 123 Cb -0.16 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1ae6 s PRO 123 CO -0.00 -0.08 0.07 -0.51 0.04 0.00 0.00 177.00 176.51 1ae6 s LEU 124 N -0.28 3.98 0.09 -3.56 1.43 0.12 -4.91 118.68 115.55 1ae6 s LEU 124 Ca 0.53 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1ae6 s LEU 124 Cb -0.33 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ae6 s LEU 124 CO 0.37 -0.25 -0.20 0.00 0.23 0.00 0.00 176.35 176.50 1ae6 s ALA 125 N 1.41 1.69 1.25 4.21 0.00 -1.26 -0.56 121.76 128.50 1ae6 s ALA 125 Ca -0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 1ae6 s ALA 125 Cb -0.18 -0.23 0.24 0.00 0.00 0.00 0.00 23.12 22.94 1ae6 s ALA 125 CO 0.01 0.33 0.54 -2.30 0.00 0.00 0.00 175.76 174.35 1ae6 n PRO 126 N 1.23 -3.48 0.00 0.00 -0.02 -1.26 -4.97 135.00 126.49 1ae6 n PRO 126 Ca -0.19 -0.91 0.06 0.00 -2.02 0.00 0.00 63.50 60.43 1ae6 n PRO 126 Cb 0.54 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 1ae6 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ae6 n GLY 127 N -3.45 -0.09 3.61 -1.23 0.00 -1.26 -5.03 105.19 97.73 1ae6 n GLY 127 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1ae6 n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ae6 s SER 128 N -1.82 -0.07 -0.30 1.61 1.04 -1.26 -5.18 113.70 107.72 1ae6 s SER 128 Ca 0.07 -0.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 1ae6 s SER 128 Cb 0.09 0.10 0.17 0.00 0.10 0.00 0.00 66.02 66.48 1ae6 s SER 128 CO 0.39 -0.17 1.06 0.00 0.98 0.00 0.00 173.24 175.50 1ae6 s ALA 129 N -2.27 -2.94 0.51 5.32 0.00 -1.26 -5.16 121.76 115.96 1ae6 s ALA 129 Ca 0.12 1.89 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 1ae6 s ALA 129 Cb 0.02 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 1ae6 s ALA 129 CO -0.04 -1.04 0.99 0.00 0.00 0.00 0.00 175.76 175.67 1ae6 s ALA 130 N 2.45 3.00 0.24 0.00 0.00 -1.26 -4.97 121.76 121.23 1ae6 s ALA 130 Ca -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 1ae6 s ALA 130 Cb -0.06 -3.15 0.29 0.00 0.00 0.00 0.00 23.12 20.21 1ae6 s ALA 130 CO -0.16 -0.27 1.65 0.37 0.00 0.00 0.00 175.76 177.34 1ae6 h GLN 131 N 1.02 0.56 -0.62 0.00 -0.00 -1.98 -2.71 115.11 111.39 1ae6 h GLN 131 Ca -0.47 -0.24 0.01 0.00 -0.00 0.00 0.00 58.65 57.95 1ae6 h GLN 131 Cb 1.19 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.62 1ae6 h GLN 131 CO 0.61 0.81 0.41 1.15 0.00 0.00 0.00 178.83 181.81 1ae6 h THR 132 N 0.48 1.14 -0.80 2.39 2.02 -1.99 -3.30 112.91 112.85 1ae6 h THR 132 Ca 0.06 -0.28 -0.42 0.00 0.77 0.00 0.00 66.41 66.54 1ae6 h THR 132 Cb 0.78 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1ae6 h THR 132 CO 0.06 0.15 1.13 0.20 0.37 0.00 0.00 175.52 177.43 1ae6 s ASN 133 N -6.46 5.66 0.00 4.18 0.01 -1.02 -4.87 114.94 112.43 1ae6 s ASN 133 Ca -0.10 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.85 1ae6 s ASN 133 Cb 0.18 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1ae6 s ASN 133 CO 0.76 -2.31 0.25 -1.20 -1.51 0.00 0.00 177.10 173.09 1ae6 n SER 134 N 12.12 0.00 -4.51 -1.22 7.64 -1.24 -4.57 113.62 121.84 1ae6 n SER 134 Ca 0.40 0.25 -0.43 0.00 1.01 0.00 0.00 58.87 60.10 1ae6 n SER 134 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1ae6 n SER 134 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ae6 n MET 135 N -0.27 0.92 -3.36 1.43 2.81 -1.26 0.16 117.12 117.56 1ae6 n MET 135 Ca 0.00 0.14 -0.38 0.00 -1.81 0.00 0.00 57.70 55.65 1ae6 n MET 135 Cb 0.00 -2.70 -0.06 0.00 -0.71 0.00 0.00 33.22 29.75 1ae6 n MET 135 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ae6 s VAL 136 N 9.55 5.08 -0.12 2.03 1.01 0.57 -4.82 120.40 133.70 1ae6 s VAL 136 Ca 1.10 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 64.03 1ae6 s VAL 136 Cb -0.64 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1ae6 s VAL 136 CO 0.39 0.43 -0.07 0.42 0.00 0.00 0.00 175.10 176.28 1ae6 s THR 137 N -0.09 3.68 0.46 3.92 -4.23 -1.26 0.51 115.64 118.64 1ae6 s THR 137 Ca 0.26 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1ae6 s THR 137 Cb -0.16 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1ae6 s THR 137 CO 0.12 0.54 0.06 -0.76 -0.54 0.00 0.00 174.62 174.04 1ae6 s LEU 138 N -0.06 2.19 0.30 4.79 1.43 -0.53 -4.59 118.68 122.21 1ae6 s LEU 138 Ca 0.00 -1.64 -0.20 0.00 -1.03 0.00 0.00 54.13 51.26 1ae6 s LEU 138 Cb -0.13 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.65 1ae6 s LEU 138 CO 0.03 -0.86 0.73 -0.83 0.23 0.00 0.00 176.35 175.65 1ae6 s GLY 139 N -3.74 0.03 -0.11 -3.19 0.00 0.28 -1.58 107.32 99.01 1ae6 s GLY 139 Ca 0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 1ae6 s GLY 139 CO 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 173.10 173.08 1ae6 s LEU 141 N 2.05 4.49 -0.40 0.00 2.96 0.02 -1.60 118.68 126.20 1ae6 s LEU 141 Ca 0.03 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 1ae6 s LEU 141 Cb -0.14 -2.25 0.05 0.00 0.50 0.00 0.00 46.19 44.35 1ae6 s LEU 141 CO -0.06 -0.30 0.23 -0.69 -1.32 0.00 0.00 176.35 174.22 1ae6 s VAL 142 N 1.89 4.40 0.06 1.68 1.01 -0.38 -0.33 120.40 128.72 1ae6 s VAL 142 Ca 0.09 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.01 1ae6 s VAL 142 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1ae6 s VAL 142 CO 0.11 -0.38 -0.21 -0.75 0.00 0.00 0.00 175.10 173.87 1ae6 s LYS 143 N 1.49 1.37 -0.23 2.72 2.20 -0.50 -1.28 119.74 125.50 1ae6 s LYS 143 Ca 0.02 -1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1ae6 s LYS 143 Cb -0.21 -1.53 -0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1ae6 s LYS 143 CO 0.04 0.38 0.20 0.41 -0.36 0.00 0.00 175.35 176.02 1ae6 n GLY 144 N 1.64 0.34 3.37 5.54 0.00 -1.07 -1.08 105.19 113.93 1ae6 n GLY 144 Ca -0.18 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 1ae6 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ae6 s TYR 145 N -3.07 1.73 -0.29 1.61 -0.85 -0.92 -4.04 117.35 111.52 1ae6 s TYR 145 Ca 0.03 -0.79 -0.19 0.00 -0.52 0.00 0.00 57.07 55.59 1ae6 s TYR 145 Cb -0.00 -0.98 0.17 0.00 0.38 0.00 0.00 41.96 41.52 1ae6 s TYR 145 CO 0.15 0.13 1.14 0.12 -1.52 0.00 0.00 175.55 175.58 1ae6 s PHE 146 N -3.20 -0.33 0.36 -3.49 2.19 -0.35 0.50 117.98 113.65 1ae6 s PHE 146 Ca 0.28 0.71 0.05 0.00 0.33 0.00 0.00 56.93 58.30 1ae6 s PHE 146 Cb 0.04 0.30 0.05 0.00 -1.31 0.00 0.00 43.02 42.11 1ae6 s PHE 146 CO 0.10 -0.16 0.45 -0.35 1.83 0.00 0.00 175.22 177.08 1ae6 n PRO 147 N 2.86 0.80 -1.02 10.12 -0.04 -1.26 -1.43 135.00 145.02 1ae6 n PRO 147 Ca -0.15 -2.00 -0.32 0.00 -0.04 0.00 0.00 63.50 60.99 1ae6 n PRO 147 Cb 0.57 -0.07 0.13 0.00 -0.04 0.00 0.00 33.50 34.09 1ae6 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ae6 s GLU 148 N -3.59 1.59 0.00 0.54 0.41 -1.26 -4.84 118.70 111.54 1ae6 s GLU 148 Ca 0.34 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.44 1ae6 s GLU 148 Cb -0.03 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1ae6 s GLU 148 CO 0.22 -2.21 0.00 -0.35 -0.49 0.00 0.00 175.26 172.43 1ae6 n PRO 149 N -3.65 2.09 -4.22 0.39 -0.04 -1.26 -4.95 135.00 123.36 1ae6 n PRO 149 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1ae6 n PRO 149 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 1ae6 n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ae6 s VAL 150 N 0.37 0.50 -0.54 0.52 1.01 -1.26 -4.66 120.40 116.33 1ae6 s VAL 150 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1ae6 s VAL 150 Cb 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 36.07 1ae6 s VAL 150 CO 0.00 0.14 0.53 -0.89 0.00 0.00 0.00 175.10 174.88 1ae6 s THR 151 N -0.10 5.13 -0.22 3.92 2.01 -0.65 -4.95 115.64 120.79 1ae6 s THR 151 Ca 0.02 -1.33 -0.08 0.00 0.31 0.00 0.00 61.69 60.61 1ae6 s THR 151 Cb -0.03 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1ae6 s THR 151 CO -0.00 -0.88 0.09 -0.69 -0.69 0.00 0.00 174.62 172.44 1ae6 s VAL 152 N 1.83 4.76 0.08 3.82 1.01 -1.26 -1.35 120.40 129.29 1ae6 s VAL 152 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1ae6 s VAL 152 Cb -0.28 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1ae6 s VAL 152 CO 0.04 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 1ae6 s THR 153 N 0.93 0.57 -0.22 3.92 2.01 -0.61 -4.98 115.64 117.26 1ae6 s THR 153 Ca 0.05 -1.83 -0.16 0.00 0.31 0.00 0.00 61.69 60.06 1ae6 s THR 153 Cb -0.14 -1.55 -0.18 0.00 0.01 0.00 0.00 72.50 70.65 1ae6 s THR 153 CO 0.03 -0.86 0.04 0.79 -0.69 0.00 0.00 174.62 173.93 1ae6 n TRP 154 N 0.13 0.69 -0.04 4.92 7.02 -1.26 0.04 117.44 128.94 1ae6 n TRP 154 Ca -0.14 0.26 -0.09 0.00 -1.02 0.00 0.00 57.50 56.51 1ae6 n TRP 154 Cb 0.60 -1.07 -0.03 0.00 -2.42 0.00 0.00 31.31 28.39 1ae6 n TRP 154 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ae6 n ASN 155 N -4.17 1.04 0.00 -0.99 3.02 -1.25 -2.67 115.26 110.24 1ae6 n ASN 155 Ca -0.40 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1ae6 n ASN 155 Cb 0.81 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1ae6 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ae6 n SER 156 N -3.65 0.00 0.00 6.41 7.64 -1.26 -4.77 113.62 117.99 1ae6 n SER 156 Ca -0.16 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1ae6 n SER 156 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ae6 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ae6 n GLY 157 N 0.00 1.23 0.09 0.23 0.00 -1.26 -5.00 105.19 100.48 1ae6 n GLY 157 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ae6 n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ae6 h SER 158 N 0.00 0.18 -1.87 1.61 4.64 -1.97 -3.39 113.55 112.75 1ae6 h SER 158 Ca 0.00 -0.53 -0.52 0.00 -0.47 0.00 0.00 61.79 60.27 1ae6 h SER 158 Cb 0.00 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 1ae6 h SER 158 CO 0.00 0.67 1.18 -0.76 -0.87 0.00 0.00 176.83 177.06 1ae6 s LEU 159 N -9.07 3.26 -0.17 5.97 1.43 -1.26 -4.79 118.68 114.04 1ae6 s LEU 159 Ca -0.15 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1ae6 s LEU 159 Cb 0.03 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 1ae6 s LEU 159 CO 0.71 -2.00 -0.26 -1.20 0.23 0.00 0.00 176.35 173.83 1ae6 n SER 160 N 10.59 1.89 -4.76 2.29 7.64 -1.26 -4.54 113.62 125.46 1ae6 n SER 160 Ca 0.17 0.46 -0.40 0.00 1.01 0.00 0.00 58.87 60.10 1ae6 n SER 160 Cb 0.50 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 1ae6 n SER 160 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ae6 s SER 161 N -5.96 6.96 0.00 6.43 1.04 -1.26 -3.31 113.70 117.60 1ae6 s SER 161 Ca -0.24 2.49 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1ae6 s SER 161 Cb 0.04 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1ae6 s SER 161 CO 0.36 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1ae6 n GLY 162 N 0.95 0.86 3.66 7.32 0.00 -1.26 -4.75 105.19 111.97 1ae6 n GLY 162 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ae6 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ae6 s VAL 163 N -2.47 4.47 -0.41 1.61 1.01 -1.21 -3.23 120.40 120.17 1ae6 s VAL 163 Ca 0.00 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1ae6 s VAL 163 Cb 0.00 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1ae6 s VAL 163 CO 0.00 -0.15 0.15 -1.00 0.00 0.00 0.00 175.10 174.11 1ae6 s HIS 164 N 3.28 2.91 -0.50 5.22 3.76 -0.15 -4.99 115.29 124.81 1ae6 s HIS 164 Ca 0.50 -2.73 -0.19 0.00 -0.15 0.00 0.00 55.06 52.49 1ae6 s HIS 164 Cb -0.19 -2.49 0.06 0.00 1.11 0.00 0.00 32.58 31.07 1ae6 s HIS 164 CO 0.11 -0.85 0.60 0.99 -0.85 0.00 0.00 174.74 174.74 1ae6 s THR 165 N 0.57 4.92 0.42 1.30 2.01 -1.26 -1.44 115.64 122.17 1ae6 s THR 165 Ca 0.14 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.31 1ae6 s THR 165 Cb -0.22 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 1ae6 s THR 165 CO -0.07 -0.79 1.12 -0.36 -0.69 0.00 0.00 174.62 173.84 1ae6 s PHE 166 N 2.50 3.07 0.11 4.92 0.40 -0.60 -4.99 117.98 123.38 1ae6 s PHE 166 Ca 0.13 1.58 -0.31 0.00 -0.60 0.00 0.00 56.93 57.73 1ae6 s PHE 166 Cb -0.20 -3.29 -0.09 0.00 0.51 0.00 0.00 43.02 39.94 1ae6 s PHE 166 CO 0.11 -1.14 1.73 -2.14 0.70 0.00 0.00 175.22 174.48 1ae6 s PRO 167 N -2.52 4.17 0.13 0.24 0.02 -1.26 -4.34 135.00 131.44 1ae6 s PRO 167 Ca 0.60 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.77 1ae6 s PRO 167 Cb -0.27 -3.54 -0.09 0.00 0.02 0.00 0.00 34.50 30.63 1ae6 s PRO 167 CO 0.33 -0.77 1.44 0.00 -0.33 0.00 0.00 177.00 177.67 1ae6 s ALA 168 N 2.51 3.65 -0.12 -1.55 0.00 -1.26 -4.87 121.76 120.10 1ae6 s ALA 168 Ca 0.77 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.90 1ae6 s ALA 168 Cb -0.43 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1ae6 s ALA 168 CO 0.34 -0.66 -0.02 0.08 0.00 0.00 0.00 175.76 175.49 1ae6 s VAL 169 N 1.09 4.05 0.10 0.00 1.01 -0.91 -4.88 120.40 120.86 1ae6 s VAL 169 Ca 0.66 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1ae6 s VAL 169 Cb -0.39 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 1ae6 s VAL 169 CO 0.31 0.54 1.45 -0.22 0.00 0.00 0.00 175.10 177.17 1ae6 s LEU 170 N -0.17 4.36 0.00 3.92 0.20 -1.26 -2.98 118.68 122.76 1ae6 s LEU 170 Ca 0.04 2.35 0.00 0.00 0.69 0.00 0.00 54.13 57.21 1ae6 s LEU 170 Cb -0.13 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 1ae6 s LEU 170 CO 0.02 -0.72 0.00 0.00 -0.29 0.00 0.00 176.35 175.37 1ae6 n GLN 171 N 4.37 0.00 -0.05 1.98 6.02 0.35 -4.98 117.38 125.07 1ae6 n GLN 171 Ca 0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.09 1ae6 n GLN 171 Cb 0.42 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.67 1ae6 n GLN 171 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1ae6 h SER 172 N 0.00 0.00 0.00 1.08 0.02 -2.00 -3.43 113.55 109.22 1ae6 h SER 172 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ae6 h SER 172 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ae6 h SER 172 CO 0.00 0.56 -0.02 0.47 -1.14 0.00 0.00 176.83 176.70 1ae6 n ASP 173 N -4.12 1.15 -4.23 3.07 8.00 -1.26 -5.08 116.55 114.09 1ae6 n ASP 173 Ca -0.05 -1.66 -0.13 0.00 0.71 0.00 0.00 54.79 53.67 1ae6 n ASP 173 Cb 0.17 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 1ae6 n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ae6 s LEU 174 N -0.66 2.37 0.15 0.64 1.43 -1.26 -4.90 118.68 116.46 1ae6 s LEU 174 Ca 0.02 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1ae6 s LEU 174 Cb 0.01 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 1ae6 s LEU 174 CO 0.00 -0.46 0.27 -0.31 0.23 0.00 0.00 176.35 176.08 1ae6 s TYR 175 N -3.53 3.46 -0.19 0.29 2.02 0.18 0.13 117.35 119.72 1ae6 s TYR 175 Ca 0.18 0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.89 1ae6 s TYR 175 Cb 0.05 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 40.01 1ae6 s TYR 175 CO 0.00 0.52 0.46 0.99 -1.57 0.00 0.00 175.55 175.95 1ae6 s THR 176 N -1.74 -0.02 0.30 -0.71 2.01 -1.16 -2.15 115.64 112.17 1ae6 s THR 176 Ca 0.34 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.47 1ae6 s THR 176 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1ae6 s THR 176 CO 0.28 0.03 0.23 -1.48 -0.69 0.00 0.00 174.62 172.99 1ae6 s LEU 177 N 1.40 1.60 -0.15 4.42 0.05 -0.40 -2.13 118.68 123.46 1ae6 s LEU 177 Ca -0.09 -1.65 -0.27 0.00 0.05 0.00 0.00 54.13 52.17 1ae6 s LEU 177 Cb -0.08 0.47 0.07 0.00 -2.05 0.00 0.00 46.19 44.60 1ae6 s LEU 177 CO -0.13 -0.99 0.67 -0.94 -0.55 0.00 0.00 176.35 174.41 1ae6 s SER 178 N -3.32 -0.67 0.14 1.48 1.04 -1.26 -1.25 113.70 109.84 1ae6 s SER 178 Ca 0.39 1.03 0.07 0.00 0.48 0.00 0.00 55.95 57.92 1ae6 s SER 178 Cb 0.04 0.96 -0.04 0.00 0.10 0.00 0.00 66.02 67.08 1ae6 s SER 178 CO 0.23 -0.42 -0.16 -0.55 0.98 0.00 0.00 173.24 173.31 1ae6 s SER 179 N -0.43 2.32 0.04 7.02 0.15 -0.63 -1.56 113.70 120.61 1ae6 s SER 179 Ca -0.06 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 55.77 1ae6 s SER 179 Cb -0.03 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1ae6 s SER 179 CO 0.05 -0.08 -0.03 -0.94 1.20 0.00 0.00 173.24 173.45 1ae6 s SER 180 N -2.47 0.39 -0.00 5.45 1.04 -0.52 -0.55 113.70 117.04 1ae6 s SER 180 Ca 0.11 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1ae6 s SER 180 Cb -0.06 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1ae6 s SER 180 CO 0.05 -0.48 -0.04 -0.69 0.98 0.00 0.00 173.24 173.06 1ae6 s VAL 181 N -2.93 0.28 -0.48 5.02 1.01 -0.61 -0.98 120.40 121.70 1ae6 s VAL 181 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1ae6 s VAL 181 Cb 0.01 -0.24 0.08 0.00 0.00 0.00 0.00 36.38 36.22 1ae6 s VAL 181 CO -0.06 0.08 0.42 0.42 0.00 0.00 0.00 175.10 175.96 1ae6 s THR 182 N -0.06 5.21 -0.02 3.92 -4.23 -1.20 -1.45 115.64 117.81 1ae6 s THR 182 Ca 0.01 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1ae6 s THR 182 Cb -0.02 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 1ae6 s THR 182 CO -0.00 -0.63 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.57 1ae6 s VAL 183 N 1.69 2.70 0.63 2.29 1.01 0.18 -4.76 120.40 124.14 1ae6 s VAL 183 Ca 0.04 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1ae6 s VAL 183 Cb -0.25 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1ae6 s VAL 183 CO 0.06 0.53 0.93 -2.65 0.00 0.00 0.00 175.10 173.98 1ae6 n PRO 184 N 2.18 0.76 0.00 2.72 -0.02 -1.26 0.21 135.00 139.60 1ae6 n PRO 184 Ca -0.17 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 61.68 1ae6 n PRO 184 Cb 0.52 -2.15 0.34 0.00 -0.02 0.00 0.00 33.50 32.18 1ae6 n PRO 184 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ae6 n SER 185 N -0.93 0.00 -0.06 2.55 3.41 0.12 -3.24 113.62 115.48 1ae6 n SER 185 Ca 0.14 -0.03 -0.21 0.00 -0.26 0.00 0.00 58.87 58.51 1ae6 n SER 185 Cb 0.48 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1ae6 n SER 185 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ae6 h SER 186 N 0.00 0.15 0.37 4.04 0.02 -1.89 -3.41 113.55 112.83 1ae6 h SER 186 Ca 0.00 -0.70 -0.02 0.00 -0.84 0.00 0.00 61.79 60.24 1ae6 h SER 186 Cb 0.09 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1ae6 h SER 186 CO 0.00 1.54 -0.18 1.55 -1.14 0.00 0.00 176.83 178.61 1ae6 h PRO 187 N -0.67 -0.48 -0.86 3.45 0.13 -1.93 -3.39 132.00 128.25 1ae6 h PRO 187 Ca -0.33 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1ae6 h PRO 187 Cb 1.50 0.11 -0.11 0.00 0.13 0.00 0.00 31.00 32.63 1ae6 h PRO 187 CO -0.09 -0.18 -0.47 -2.13 -0.23 0.00 0.00 178.00 174.91 1ae6 n ARG 188 N -5.12 -0.34 -0.35 0.86 3.00 -1.25 -0.93 116.66 112.53 1ae6 n ARG 188 Ca -0.09 1.31 0.15 0.00 -0.00 0.00 0.00 57.85 59.22 1ae6 n ARG 188 Cb 0.27 -1.93 0.35 0.00 0.00 0.00 0.00 32.46 31.14 1ae6 n ARG 188 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1ae6 h PRO 189 N 0.00 0.67 -0.17 -0.14 0.13 -1.80 -2.51 132.00 128.18 1ae6 h PRO 189 Ca 0.18 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1ae6 h PRO 189 Cb 0.39 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.34 1ae6 h PRO 189 CO -0.82 0.44 -0.14 -1.13 -0.23 0.00 0.00 178.00 176.12 1ae6 n SER 190 N -4.82 2.56 -3.79 1.44 3.41 -0.63 -4.98 113.62 106.81 1ae6 n SER 190 Ca 0.25 -3.50 -0.13 0.00 -0.26 0.00 0.00 58.87 55.23 1ae6 n SER 190 Cb 0.64 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1ae6 n SER 190 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ae6 s GLU 191 N -3.08 0.25 0.38 4.33 2.02 -0.11 -5.06 118.70 117.44 1ae6 s GLU 191 Ca 0.40 0.33 -0.23 0.00 0.02 0.00 0.00 54.97 55.48 1ae6 s GLU 191 Cb 0.36 0.10 -0.10 0.00 0.10 0.00 0.00 34.13 34.58 1ae6 s GLU 191 CO 0.01 -0.04 0.95 0.95 0.02 0.00 0.00 175.26 177.14 1ae6 s THR 192 N 0.23 4.30 -0.15 3.63 -4.23 -1.26 -4.48 115.64 113.68 1ae6 s THR 192 Ca -0.01 1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 62.13 1ae6 s THR 192 Cb -0.02 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.06 1ae6 s THR 192 CO -0.01 -0.09 0.02 -0.69 -0.54 0.00 0.00 174.62 173.31 1ae6 s VAL 193 N -1.90 0.49 -0.21 2.29 1.01 -1.26 -5.04 120.40 115.78 1ae6 s VAL 193 Ca 0.56 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1ae6 s VAL 193 Cb -0.14 -0.87 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1ae6 s VAL 193 CO 0.18 -0.04 0.01 0.42 0.00 0.00 0.00 175.10 175.67 1ae6 s THR 194 N 1.89 0.80 0.07 3.92 -4.23 -1.19 -0.52 115.64 116.38 1ae6 s THR 194 Ca 0.01 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.46 1ae6 s THR 194 Cb -0.15 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.38 1ae6 s THR 194 CO -0.07 -0.19 1.09 0.00 -0.54 0.00 0.00 174.62 174.90 1ae6 s ASN 196 N 0.74 6.25 -0.15 0.00 -0.87 0.11 -3.26 114.94 117.76 1ae6 s ASN 196 Ca 0.54 -0.71 -0.08 0.00 -1.57 0.00 0.00 52.86 51.04 1ae6 s ASN 196 Cb -0.26 -2.30 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 1ae6 s ASN 196 CO 0.30 -0.84 0.11 -0.69 -2.57 0.00 0.00 177.10 173.41 1ae6 s VAL 197 N 2.69 5.28 -0.03 1.60 1.01 -0.87 -1.58 120.40 128.50 1ae6 s VAL 197 Ca 0.17 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1ae6 s VAL 197 Cb -0.17 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1ae6 s VAL 197 CO 0.14 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.73 1ae6 s ALA 198 N -0.38 0.63 -0.36 5.51 0.00 -0.46 -1.78 121.76 124.92 1ae6 s ALA 198 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1ae6 s ALA 198 Cb -0.12 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.78 1ae6 s ALA 198 CO 0.01 0.04 0.11 -1.58 0.00 0.00 0.00 175.76 174.34 1ae6 s HIS 199 N 0.59 2.93 0.19 0.00 2.46 -0.83 -1.64 115.29 118.98 1ae6 s HIS 199 Ca -0.08 -2.61 -0.11 0.00 0.47 0.00 0.00 55.06 52.73 1ae6 s HIS 199 Cb -0.11 -2.47 0.11 0.00 -0.13 0.00 0.00 32.58 29.98 1ae6 s HIS 199 CO 0.00 -0.89 1.77 -1.00 -2.47 0.00 0.00 174.74 172.15 1ae6 h PRO 200 N 7.51 0.97 -0.99 2.88 0.13 -1.85 0.22 132.00 140.88 1ae6 h PRO 200 Ca -0.07 -0.15 0.22 0.00 -0.87 0.00 0.00 66.00 65.13 1ae6 h PRO 200 Cb 0.99 -0.17 -0.09 0.00 0.13 0.00 0.00 31.00 31.86 1ae6 h PRO 200 CO 0.52 0.78 0.63 0.00 -0.23 0.00 0.00 178.00 179.70 1ae6 h ALA 201 N 1.14 1.99 -0.00 -0.56 0.00 -1.90 0.14 119.26 120.08 1ae6 h ALA 201 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ae6 h ALA 201 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ae6 h ALA 201 CO -0.03 -0.36 -0.72 -1.13 0.00 0.00 0.00 179.25 177.02 1ae6 n SER 202 N -4.66 0.80 -3.17 0.00 3.41 -1.15 -5.01 113.62 103.83 1ae6 n SER 202 Ca 0.23 -0.90 -0.15 0.00 -0.26 0.00 0.00 58.87 57.79 1ae6 n SER 202 Cb 0.71 0.97 0.08 0.00 -0.26 0.00 0.00 64.21 65.70 1ae6 n SER 202 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ae6 n SER 203 N -1.29 -2.13 -4.15 4.04 2.88 0.71 -5.03 113.62 108.65 1ae6 n SER 203 Ca 0.03 -0.56 -0.25 0.00 -1.33 0.00 0.00 58.87 56.76 1ae6 n SER 203 Cb 0.25 -4.64 -0.16 0.00 -0.75 0.00 0.00 64.21 58.91 1ae6 n SER 203 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ae6 s THR 204 N -3.32 1.37 -0.18 2.46 -4.23 -0.75 -5.02 115.64 105.98 1ae6 s THR 204 Ca 0.01 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1ae6 s THR 204 Cb -0.00 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.69 1ae6 s THR 204 CO 0.65 0.39 -0.18 -0.75 -0.54 0.00 0.00 174.62 174.20 1ae6 s LYS 205 N -0.20 3.04 -0.16 3.99 2.20 -1.26 -1.97 119.74 125.37 1ae6 s LYS 205 Ca 0.02 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1ae6 s LYS 205 Cb -0.09 -2.62 0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1ae6 s LYS 205 CO 0.01 -0.20 -0.14 0.08 -0.36 0.00 0.00 175.35 174.74 1ae6 s VAL 206 N 1.29 1.60 -0.18 4.02 1.01 -0.74 -5.03 120.40 122.38 1ae6 s VAL 206 Ca 0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1ae6 s VAL 206 Cb -0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1ae6 s VAL 206 CO -0.11 0.42 0.00 -1.81 0.00 0.00 0.00 175.10 173.60 1ae6 s ASP 207 N 1.46 4.97 -0.13 3.32 1.01 -1.26 -2.04 116.67 124.01 1ae6 s ASP 207 Ca 0.04 -0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 1ae6 s ASP 207 Cb -0.13 -1.84 0.03 0.00 1.01 0.00 0.00 42.92 41.99 1ae6 s ASP 207 CO -0.10 0.11 -0.06 -0.75 0.21 0.00 0.00 175.17 174.58 1ae6 s LYS 208 N 0.71 1.42 0.32 8.23 2.47 -1.20 -5.00 119.74 126.68 1ae6 s LYS 208 Ca 0.00 -0.30 -0.28 0.00 -1.56 0.00 0.00 55.97 53.83 1ae6 s LYS 208 Cb -0.14 -1.67 -0.09 0.00 -1.46 0.00 0.00 37.83 34.47 1ae6 s LYS 208 CO 0.02 -0.32 1.10 0.21 0.16 0.00 0.00 175.35 176.52 1ae6 s LYS 209 N 1.71 4.45 -0.31 4.03 2.20 -1.26 -2.99 119.74 127.58 1ae6 s LYS 209 Ca 0.04 1.76 -0.16 0.00 -0.36 0.00 0.00 55.97 57.25 1ae6 s LYS 209 Cb -0.13 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1ae6 s LYS 209 CO -0.08 0.06 0.42 0.42 -0.36 0.00 0.00 175.35 175.81 1ae6 s ILE 210 N -1.30 5.12 0.00 5.43 1.01 0.32 -4.84 121.20 126.93 1ae6 s ILE 210 Ca 0.49 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.58 1ae6 s ILE 210 Cb -0.30 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ae6 s ILE 210 CO 0.38 -0.00 0.11 0.55 0.00 0.00 0.00 174.94 175.98