#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shy s TYR 41 N 0.00 3.29 -0.28 5.64 4.12 -1.26 -5.10 117.35 123.77 1shy s TYR 41 Ca 0.00 0.03 0.01 0.00 0.02 0.00 0.00 57.07 57.14 1shy s TYR 41 Cb 0.00 -1.94 0.08 0.00 -1.52 0.00 0.00 41.96 38.58 1shy s TYR 41 CO 0.00 0.05 0.00 -1.14 0.02 0.00 0.00 175.55 174.48 1shy s GLN 42 N -4.23 1.41 0.11 -0.62 2.00 -1.26 -5.11 119.66 111.96 1shy s GLN 42 Ca 0.42 -1.23 0.03 0.00 -2.00 0.00 0.00 55.36 52.57 1shy s GLN 42 Cb -0.09 -2.62 -0.04 0.00 0.80 0.00 0.00 33.01 31.05 1shy s GLN 42 CO 0.33 -0.76 -0.08 -0.51 -0.50 0.00 0.00 175.29 173.77 1shy s LEU 43 N 1.31 2.50 -0.23 3.68 1.43 -1.26 -5.09 118.68 121.02 1shy s LEU 43 Ca 0.01 -0.98 -0.33 0.00 -1.03 0.00 0.00 54.13 51.80 1shy s LEU 43 Cb -0.19 -0.19 -0.10 0.00 0.03 0.00 0.00 46.19 45.75 1shy s LEU 43 CO -0.11 -0.40 2.09 -2.65 0.23 0.00 0.00 176.35 175.52 1shy n PRO 44 N -0.01 1.65 -3.75 1.29 -0.02 -1.26 -4.91 135.00 127.98 1shy n PRO 44 Ca -0.12 0.51 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 1shy n PRO 44 Cb 0.60 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 1shy n PRO 44 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1shy s ASN 45 N 6.48 3.80 -0.05 2.55 6.03 -1.26 -2.39 114.94 130.10 1shy s ASN 45 Ca 1.02 -3.43 -0.24 0.00 -1.03 0.00 0.00 52.86 49.18 1shy s ASN 45 Cb -0.68 -1.26 -0.04 0.00 -3.03 0.00 0.00 41.25 36.24 1shy s ASN 45 CO 0.47 -0.14 0.71 0.12 -2.03 0.00 0.00 177.10 176.23 1shy s PHE 46 N -0.75 3.59 -0.18 1.54 5.36 -0.92 -4.96 117.98 121.66 1shy s PHE 46 Ca 0.25 1.28 0.01 0.00 -0.96 0.00 0.00 56.93 57.51 1shy s PHE 46 Cb -0.07 -2.81 0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1shy s PHE 46 CO -0.14 0.10 -0.19 0.99 -1.46 0.00 0.00 175.22 174.53 1shy s THR 47 N 0.72 2.17 0.41 0.12 2.01 -1.26 -0.44 115.64 119.37 1shy s THR 47 Ca 0.38 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1shy s THR 47 Cb -0.18 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 1shy s THR 47 CO 0.19 0.53 0.60 0.00 -0.69 0.00 0.00 174.62 175.25 1shy s ALA 48 N 1.25 3.89 -1.21 7.40 0.00 -0.25 -5.01 121.76 127.83 1shy s ALA 48 Ca 0.04 -1.17 0.28 0.00 0.00 0.00 0.00 51.96 51.11 1shy s ALA 48 Cb -0.13 -2.00 1.15 0.00 0.00 0.00 0.00 23.12 22.14 1shy s ALA 48 CO -0.11 -0.25 1.84 0.39 0.00 0.00 0.00 175.76 177.64 1shy n GLU 49 N -1.92 0.22 -4.07 0.00 -0.58 -1.26 -4.83 120.64 108.20 1shy n GLU 49 Ca 0.00 -0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.59 1shy n GLU 49 Cb 0.58 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 1shy n GLU 49 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1shy s THR 50 N -2.81 0.38 0.49 2.62 -4.23 -1.26 -5.13 115.64 105.69 1shy s THR 50 Ca 0.19 -1.37 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 1shy s THR 50 Cb 0.19 -0.93 -0.08 0.00 1.34 0.00 0.00 72.50 73.02 1shy s THR 50 CO 0.54 -0.65 1.01 -2.65 -0.54 0.00 0.00 174.62 172.32 1shy n PRO 51 N 0.90 1.24 -3.52 3.99 -0.02 -1.26 -4.68 135.00 131.65 1shy n PRO 51 Ca -0.19 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1shy n PRO 51 Cb 0.57 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 1shy n PRO 51 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1shy s ILE 52 N -1.36 5.28 -0.01 4.25 1.01 -1.14 -1.60 121.20 127.63 1shy s ILE 52 Ca 0.67 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 1shy s ILE 52 Cb -0.50 -3.75 -0.33 0.00 0.01 0.00 0.00 42.46 37.89 1shy s ILE 52 CO 0.54 -0.05 0.88 1.56 0.00 0.00 0.00 174.94 177.87 1shy h GLN 53 N 8.51 0.45 -3.48 2.79 7.50 -1.14 -3.49 115.11 126.25 1shy h GLN 53 Ca -0.31 -0.77 -0.08 0.00 0.50 0.00 0.00 58.65 58.00 1shy h GLN 53 Cb 1.15 0.29 -0.15 0.00 0.05 0.00 0.00 27.48 28.82 1shy h GLN 53 CO 0.65 1.37 -0.22 -0.80 -1.50 0.00 0.00 178.83 178.32 1shy s ASN 54 N -7.38 -0.09 -0.15 1.46 0.01 -0.72 -4.86 114.94 103.21 1shy s ASN 54 Ca -0.12 -0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 51.57 1shy s ASN 54 Cb 0.04 0.39 0.05 0.00 0.41 0.00 0.00 41.25 42.14 1shy s ASN 54 CO 0.90 -0.73 0.37 -0.69 -1.51 0.00 0.00 177.10 175.44 1shy s VAL 55 N -3.37 -0.02 0.00 1.60 1.01 -1.26 0.13 120.40 118.49 1shy s VAL 55 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1shy s VAL 55 Cb 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1shy s VAL 55 CO -0.09 0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.33 1shy s ILE 56 N 1.15 0.67 -0.21 2.22 1.09 -0.75 -4.96 121.20 120.41 1shy s ILE 56 Ca -0.08 -0.47 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 1shy s ILE 56 Cb -0.08 -0.58 -0.02 0.00 -1.06 0.00 0.00 42.46 40.72 1shy s ILE 56 CO -0.09 0.11 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.61 1shy s LEU 57 N -0.40 3.03 -0.06 2.97 2.96 -1.26 -0.18 118.68 125.74 1shy s LEU 57 Ca 0.02 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1shy s LEU 57 Cb -0.04 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1shy s LEU 57 CO -0.00 0.02 0.13 -2.28 -1.32 0.00 0.00 176.35 172.90 1shy s HIS 58 N 1.26 -0.14 -1.07 5.38 5.65 -0.23 -4.94 115.29 121.20 1shy s HIS 58 Ca 0.03 0.42 -0.26 0.00 0.25 0.00 0.00 55.06 55.50 1shy s HIS 58 Cb -0.14 -0.08 0.04 0.00 -1.18 0.00 0.00 32.58 31.21 1shy s HIS 58 CO -0.01 -0.14 0.49 -1.91 -0.65 0.00 0.00 174.74 172.53 1shy n GLU 59 N 4.00 -0.41 -1.93 2.88 4.07 -1.26 -0.67 120.64 127.32 1shy n GLU 59 Ca -0.24 -0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.67 1shy n GLU 59 Cb 0.53 -2.07 -0.04 0.00 -0.06 0.00 0.00 31.44 29.80 1shy n GLU 59 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1shy n HIS 60 N -4.42 -0.43 -4.22 4.31 8.25 -1.26 -4.99 115.22 112.46 1shy n HIS 60 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 1shy n HIS 60 Cb 0.49 -3.18 -0.10 0.00 1.12 0.00 0.00 29.99 28.32 1shy n HIS 60 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1shy s HIS 61 N -2.74 1.11 -0.09 4.41 3.76 0.15 -2.12 115.29 119.77 1shy s HIS 61 Ca 0.00 -0.99 0.03 0.00 -0.15 0.00 0.00 55.06 53.95 1shy s HIS 61 Cb 0.00 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.07 1shy s HIS 61 CO 0.00 -0.20 -0.19 0.42 -0.85 0.00 0.00 174.74 173.92 1shy s ILE 62 N -3.65 1.71 -0.30 0.60 1.01 0.29 -1.06 121.20 119.79 1shy s ILE 62 Ca 0.20 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1shy s ILE 62 Cb 0.06 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1shy s ILE 62 CO 0.01 0.48 -0.01 -0.36 0.00 0.00 0.00 174.94 175.06 1shy s PHE 63 N 0.49 3.32 -0.07 3.97 0.40 0.75 -0.68 117.98 126.16 1shy s PHE 63 Ca -0.17 -2.11 -0.21 0.00 -0.60 0.00 0.00 56.93 53.84 1shy s PHE 63 Cb -0.17 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1shy s PHE 63 CO 0.07 -0.85 0.62 -0.51 0.70 0.00 0.00 175.22 175.24 1shy s LEU 64 N 1.18 4.33 -0.39 -0.37 1.43 -0.51 -1.82 118.68 122.53 1shy s LEU 64 Ca -0.04 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 1shy s LEU 64 Cb -0.20 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1shy s LEU 64 CO -0.03 -0.04 0.25 -0.83 0.23 0.00 0.00 176.35 175.94 1shy s GLY 65 N 0.55 1.97 0.31 -3.19 0.00 0.12 -0.81 107.32 106.26 1shy s GLY 65 Ca 0.33 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.37 1shy s GLY 65 CO 0.16 0.88 0.02 0.00 0.00 0.00 0.00 173.10 174.16 1shy s ALA 66 N 1.61 2.34 -0.17 3.20 0.00 0.31 -0.57 121.76 128.49 1shy s ALA 66 Ca 0.03 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 1shy s ALA 66 Cb -0.19 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 1shy s ALA 66 CO 0.08 -0.23 2.17 2.41 0.00 0.00 0.00 175.76 180.19 1shy n THR 67 N -0.65 0.44 -0.92 0.00 -1.04 -0.62 -1.08 114.28 110.40 1shy n THR 67 Ca -0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1shy n THR 67 Cb 0.66 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 1shy n THR 67 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1shy n ASN 68 N 10.72 -3.39 -3.86 8.00 3.02 -0.68 -4.81 115.26 124.26 1shy n ASN 68 Ca 0.28 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1shy n ASN 68 Cb 0.43 -1.98 -0.09 0.00 -0.61 0.00 0.00 39.78 37.53 1shy n ASN 68 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1shy s TYR 69 N -1.68 0.04 -0.10 3.10 1.51 -0.24 0.13 117.35 120.11 1shy s TYR 69 Ca 0.00 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1shy s TYR 69 Cb 0.00 -0.04 0.01 0.00 -0.11 0.00 0.00 41.96 41.82 1shy s TYR 69 CO 0.00 -0.33 -0.20 0.42 -1.11 0.00 0.00 175.55 174.33 1shy s ILE 70 N -1.70 1.76 0.24 2.71 1.01 -0.15 0.11 121.20 125.19 1shy s ILE 70 Ca -0.12 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1shy s ILE 70 Cb -0.06 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1shy s ILE 70 CO 0.00 0.49 0.12 -0.31 0.00 0.00 0.00 174.94 175.25 1shy s TYR 71 N 0.58 2.98 -0.12 3.97 4.12 0.01 -0.91 117.35 127.97 1shy s TYR 71 Ca -0.14 -0.14 -0.00 0.00 0.02 0.00 0.00 57.07 56.81 1shy s TYR 71 Cb -0.17 -1.35 0.02 0.00 -1.52 0.00 0.00 41.96 38.95 1shy s TYR 71 CO 0.05 0.55 -0.09 0.08 0.02 0.00 0.00 175.55 176.15 1shy s VAL 72 N -2.14 1.16 0.24 0.71 1.01 0.15 -1.42 120.40 120.11 1shy s VAL 72 Ca 0.32 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1shy s VAL 72 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1shy s VAL 72 CO 0.23 0.39 -0.06 -0.76 0.00 0.00 0.00 175.10 174.90 1shy s LEU 73 N 1.65 3.05 -0.00 3.92 1.43 0.14 0.49 118.68 129.36 1shy s LEU 73 Ca 0.05 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1shy s LEU 73 Cb -0.13 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1shy s LEU 73 CO -0.09 0.04 1.04 0.20 0.23 0.00 0.00 176.35 177.78 1shy s ASN 74 N -3.34 7.28 0.34 2.29 0.01 -0.40 -0.55 114.94 120.57 1shy s ASN 74 Ca 0.29 1.73 0.11 0.00 -0.71 0.00 0.00 52.86 54.28 1shy s ASN 74 Cb -0.07 -2.57 0.89 0.00 0.41 0.00 0.00 41.25 39.91 1shy s ASN 74 CO 0.18 -0.34 1.78 -0.08 -1.51 0.00 0.00 177.10 177.13 1shy h GLU 75 N 6.86 0.59 -0.12 -0.60 4.81 -1.72 0.10 114.58 124.51 1shy h GLU 75 Ca -0.40 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1shy h GLU 75 Cb 1.21 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1shy h GLU 75 CO 0.78 0.39 -0.19 1.49 -0.73 0.00 0.00 179.01 180.75 1shy h GLU 76 N 0.61 0.35 0.00 1.92 4.22 -1.92 -3.39 114.58 116.37 1shy h GLU 76 Ca 0.57 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.81 1shy h GLU 76 Cb 1.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1shy h GLU 76 CO -0.34 0.79 0.00 -0.40 -2.18 0.00 0.00 179.01 176.87 1shy n ASP 77 N -4.52 0.72 -0.22 1.04 3.85 -1.14 -5.02 116.55 111.25 1shy n ASP 77 Ca -0.07 -1.11 -0.03 0.00 -0.71 0.00 0.00 54.79 52.88 1shy n ASP 77 Cb 0.40 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.16 1shy n ASP 77 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1shy n LEU 78 N -0.05 0.24 -4.74 -2.12 4.77 0.34 -4.74 117.00 110.70 1shy n LEU 78 Ca 0.00 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1shy n LEU 78 Cb 0.14 -1.72 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1shy n LEU 78 CO 0.00 -0.60 1.14 -1.58 -1.33 0.00 0.00 177.39 175.02 1shy s GLN 79 N -1.60 4.24 0.01 3.23 2.00 -1.26 -4.58 119.66 121.70 1shy s GLN 79 Ca 0.00 2.35 -0.30 0.00 -2.00 0.00 0.00 55.36 55.41 1shy s GLN 79 Cb 0.00 -3.10 -0.06 0.00 0.80 0.00 0.00 33.01 30.65 1shy s GLN 79 CO 0.00 -0.47 1.50 0.21 -0.50 0.00 0.00 175.29 176.03 1shy s LYS 80 N -0.32 4.24 -0.26 1.67 2.20 -1.26 -1.28 119.74 124.74 1shy s LYS 80 Ca 0.61 2.09 -0.05 0.00 -0.36 0.00 0.00 55.97 58.26 1shy s LYS 80 Cb -0.43 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.09 1shy s LYS 80 CO 0.43 -0.66 -0.22 0.28 -0.36 0.00 0.00 175.35 174.82 1shy n VAL 81 N 4.81 1.52 -3.88 4.02 0.31 0.18 -4.95 118.33 120.34 1shy n VAL 81 Ca 0.14 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 1shy n VAL 81 Cb 0.43 -1.62 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 1shy n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1shy s ALA 82 N -2.51 -0.27 0.27 3.52 0.00 -1.06 -5.01 121.76 116.70 1shy s ALA 82 Ca -0.35 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 51.49 1shy s ALA 82 Cb 0.11 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1shy s ALA 82 CO 0.57 -0.23 -0.19 -1.83 0.00 0.00 0.00 175.76 174.08 1shy s GLU 83 N -1.66 1.63 -0.04 0.00 -1.05 -1.26 -0.67 118.70 115.65 1shy s GLU 83 Ca -0.13 -1.74 -0.01 0.00 -0.15 0.00 0.00 54.97 52.94 1shy s GLU 83 Cb -0.06 -1.68 0.03 0.00 -0.44 0.00 0.00 34.13 31.98 1shy s GLU 83 CO 0.00 0.31 0.08 -0.47 0.95 0.00 0.00 175.26 176.13 1shy s TYR 84 N -2.58 -0.06 -0.50 4.83 5.04 -0.09 -4.88 117.35 119.11 1shy s TYR 84 Ca 0.29 0.27 -0.20 0.00 -2.44 0.00 0.00 57.07 55.00 1shy s TYR 84 Cb -0.04 -0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.17 1shy s TYR 84 CO 0.14 -0.11 0.65 -1.59 -1.34 0.00 0.00 175.55 173.30 1shy s LYS 85 N 0.99 3.15 0.00 4.97 0.00 -1.26 -0.98 119.74 126.62 1shy s LYS 85 Ca -0.08 -0.80 0.29 0.00 0.00 0.00 0.00 55.97 55.38 1shy s LYS 85 Cb -0.11 -4.08 1.19 0.00 0.00 0.00 0.00 37.83 34.83 1shy s LYS 85 CO -0.04 -1.22 1.83 0.25 0.00 0.00 0.00 175.35 176.17 1shy n THR 86 N 5.68 0.00 0.00 3.79 -2.24 -0.22 -4.98 114.28 116.31 1shy n THR 86 Ca -0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1shy n THR 86 Cb 0.46 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1shy n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shy n GLY 87 N 1.24 0.00 3.46 3.38 0.00 0.34 -4.70 105.19 108.90 1shy n GLY 87 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 1shy n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shy n PRO 88 N 0.00 0.33 -4.12 1.61 -0.04 -1.26 -4.74 135.00 126.78 1shy n PRO 88 Ca 0.00 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1shy n PRO 88 Cb 0.00 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 1shy n PRO 88 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1shy s VAL 89 N -0.85 0.85 -0.29 0.52 1.01 0.77 -4.91 120.40 117.49 1shy s VAL 89 Ca 0.66 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1shy s VAL 89 Cb -0.92 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1shy s VAL 89 CO 0.57 -0.30 0.29 -0.22 0.00 0.00 0.00 175.10 175.44 1shy s LEU 90 N -1.67 4.11 0.17 3.92 0.20 -1.26 0.12 118.68 124.27 1shy s LEU 90 Ca -0.06 0.06 -0.22 0.00 0.69 0.00 0.00 54.13 54.60 1shy s LEU 90 Cb -0.10 -2.27 -0.08 0.00 -0.43 0.00 0.00 46.19 43.31 1shy s LEU 90 CO 0.01 -0.15 0.72 -1.61 -0.29 0.00 0.00 176.35 175.03 1shy s GLU 91 N 1.92 4.37 -0.15 1.98 0.41 0.21 -4.93 118.70 122.51 1shy s GLU 91 Ca 0.11 0.96 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 1shy s GLU 91 Cb -0.16 -3.11 0.08 0.00 -1.78 0.00 0.00 34.13 29.16 1shy s GLU 91 CO 0.11 0.52 0.76 -1.58 -0.49 0.00 0.00 175.26 174.57 1shy s HIS 92 N -1.29 -0.65 0.16 1.61 2.46 -1.26 -1.96 115.29 114.36 1shy s HIS 92 Ca 0.37 1.33 -0.12 0.00 0.47 0.00 0.00 55.06 57.11 1shy s HIS 92 Cb -0.20 0.37 0.06 0.00 -0.13 0.00 0.00 32.58 32.68 1shy s HIS 92 CO 0.23 -0.48 1.70 -1.35 -2.47 0.00 0.00 174.74 172.37 1shy h PRO 93 N 3.68 0.87 0.06 2.88 0.11 -1.98 -3.23 132.00 134.38 1shy h PRO 93 Ca -0.27 -0.18 -0.25 0.00 0.11 0.00 0.00 66.00 65.41 1shy h PRO 93 Cb 1.15 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1shy h PRO 93 CO 0.25 0.78 -1.08 -0.44 -0.21 0.00 0.00 178.00 177.30 1shy h ASP 94 N 0.78 0.57 -3.34 -2.05 5.19 -1.96 -3.43 116.42 112.18 1shy h ASP 94 Ca 0.18 -0.51 -0.56 0.00 -0.62 0.00 0.00 57.03 55.53 1shy h ASP 94 Cb 0.26 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 1shy h ASP 94 CO -0.01 1.33 1.02 0.00 -3.12 0.00 0.00 179.24 178.47 1shy s PHE 96 N 5.20 2.88 -0.31 0.00 2.99 -1.26 -4.45 117.98 123.04 1shy s PHE 96 Ca 0.54 0.53 0.26 0.00 0.00 0.00 0.00 56.93 58.26 1shy s PHE 96 Cb -0.10 -3.32 0.71 0.00 0.00 0.00 0.00 43.02 40.30 1shy s PHE 96 CO 0.31 -1.57 1.74 -1.35 -0.00 0.00 0.00 175.22 174.35 1shy h PRO 97 N -0.78 0.00 -0.00 0.24 0.11 -1.95 -3.18 132.00 126.44 1shy h PRO 97 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1shy h PRO 97 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1shy h PRO 97 CO 0.61 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.29 1shy s GLN 99 N -0.95 3.76 0.28 0.00 -2.07 -1.20 -4.94 119.66 114.54 1shy s GLN 99 Ca 0.04 0.10 0.07 0.00 -1.82 0.00 0.00 55.36 53.75 1shy s GLN 99 Cb 0.04 -3.24 -0.03 0.00 -1.09 0.00 0.00 33.01 28.68 1shy s GLN 99 CO 0.13 0.65 0.23 0.16 -1.32 0.00 0.00 175.29 175.15 1shy s ASP 100 N -0.79 5.45 -0.20 12.60 3.84 -1.26 -4.48 116.67 131.83 1shy s ASP 100 Ca 0.18 -0.34 -0.04 0.00 -0.00 0.00 0.00 52.55 52.35 1shy s ASP 100 Cb -0.14 -1.25 0.10 0.00 -1.38 0.00 0.00 42.92 40.25 1shy s ASP 100 CO 0.07 -0.15 0.33 0.00 -0.00 0.00 0.00 175.17 175.42 1shy n SER 102 N 5.36 3.29 -0.74 0.00 3.41 -1.26 -4.44 113.62 119.24 1shy n SER 102 Ca -0.06 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.64 1shy n SER 102 Cb 0.50 -0.25 0.12 0.00 -0.26 0.00 0.00 64.21 64.32 1shy n SER 102 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1shy n SER 103 N 1.28 2.01 -0.01 4.04 3.41 -1.26 -3.29 113.62 119.80 1shy n SER 103 Ca 0.17 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1shy n SER 103 Cb 0.55 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1shy n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1shy n LYS 104 N 0.20 0.00 0.12 4.33 4.76 -1.26 -4.97 118.16 121.33 1shy n LYS 104 Ca 0.08 -0.23 0.19 0.00 -2.87 0.00 0.00 58.31 55.48 1shy n LYS 104 Cb 0.41 -0.23 0.77 0.00 -1.84 0.00 0.00 35.03 34.14 1shy n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1shy h ALA 105 N 0.00 2.06 0.00 7.82 0.00 -1.77 -0.40 119.26 126.97 1shy h ALA 105 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1shy h ALA 105 Cb 1.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1shy h ALA 105 CO 0.00 -0.53 0.00 -0.91 0.00 0.00 0.00 179.25 177.81 1shy h ASN 106 N 0.00 0.00 -4.27 0.00 2.35 -1.93 -3.49 115.58 108.24 1shy h ASN 106 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1shy h ASN 106 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1shy h ASN 106 CO -0.00 0.00 -0.88 0.00 -1.65 0.00 0.00 177.43 174.89 1shy n LEU 107 N -3.01 -6.07 -0.04 1.61 -0.00 -0.16 -5.02 117.00 104.32 1shy n LEU 107 Ca 0.03 3.02 -0.03 0.00 -0.00 0.00 0.00 56.01 59.03 1shy n LEU 107 Cb 0.45 -2.86 -0.07 0.00 -0.00 0.00 0.00 43.42 40.94 1shy n LEU 107 CO 0.31 -0.76 -0.76 -0.24 -0.00 0.00 0.00 177.39 175.94 1shy n SER 108 N 0.66 2.84 -2.70 1.45 2.88 -1.26 -4.83 113.62 112.65 1shy n SER 108 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1shy n SER 108 Cb 0.00 0.82 0.11 0.00 -0.75 0.00 0.00 64.21 64.39 1shy n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1shy n GLY 109 N 2.39 1.15 3.00 0.46 0.00 -1.26 -5.14 105.19 105.79 1shy n GLY 109 Ca -0.12 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1shy n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shy s GLY 110 N -1.16 0.63 0.02 -0.02 0.00 -1.26 -4.68 107.32 100.85 1shy s GLY 110 Ca 0.21 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1shy s GLY 110 CO -0.08 0.05 -0.03 0.54 0.00 0.00 0.00 173.10 173.58 1shy s VAL 111 N 0.46 3.91 -0.03 1.40 0.11 -0.83 -4.88 120.40 120.54 1shy s VAL 111 Ca -0.09 -0.76 -0.25 0.00 -2.93 0.00 0.00 61.98 57.96 1shy s VAL 111 Cb -0.12 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 1shy s VAL 111 CO 0.02 0.33 0.76 0.26 -3.33 0.00 0.00 175.10 173.13 1shy s TRP 112 N -1.10 3.63 0.01 1.54 0.52 -1.26 0.65 118.94 122.94 1shy s TRP 112 Ca 0.20 1.37 0.03 0.00 0.02 0.00 0.00 56.10 57.72 1shy s TRP 112 Cb -0.11 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.34 1shy s TRP 112 CO 0.11 0.12 -0.11 0.21 0.02 0.00 0.00 176.95 177.30 1shy s LYS 113 N 0.61 0.80 0.04 4.98 2.47 0.32 -4.93 119.74 124.03 1shy s LYS 113 Ca 0.40 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 1shy s LYS 113 Cb -0.19 -0.76 -0.04 0.00 -1.46 0.00 0.00 37.83 35.38 1shy s LYS 113 CO 0.21 0.20 1.01 -0.51 0.16 0.00 0.00 175.35 176.42 1shy s ASP 114 N -0.61 7.35 -1.16 1.43 1.11 -1.26 -0.17 116.67 123.37 1shy s ASP 114 Ca 0.02 1.76 -0.10 0.00 0.18 0.00 0.00 52.55 54.40 1shy s ASP 114 Cb -0.05 -2.58 0.24 0.00 1.07 0.00 0.00 42.92 41.60 1shy s ASP 114 CO 0.00 -0.25 1.32 -3.20 1.18 0.00 0.00 175.17 174.22 1shy n ASN 115 N 3.61 5.48 -4.70 0.27 2.85 -1.26 -4.89 115.26 116.62 1shy n ASN 115 Ca 0.06 -3.06 -0.42 0.00 -0.11 0.00 0.00 54.58 51.05 1shy n ASN 115 Cb 0.50 -1.44 -0.03 0.00 1.24 0.00 0.00 39.78 40.05 1shy n ASN 115 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1shy s ILE 116 N -0.34 2.86 0.08 -1.44 1.09 -1.26 -1.69 121.20 120.50 1shy s ILE 116 Ca 0.36 0.43 -0.31 0.00 -1.10 0.00 0.00 60.65 60.03 1shy s ILE 116 Cb -0.05 -3.28 -0.07 0.00 -1.06 0.00 0.00 42.46 38.00 1shy s ILE 116 CO -0.03 0.01 1.37 0.21 -0.10 0.00 0.00 174.94 176.40 1shy s ASN 117 N 2.02 6.87 -0.10 3.58 3.84 -1.26 -1.29 114.94 128.60 1shy s ASN 117 Ca 0.73 2.23 0.07 0.00 0.21 0.00 0.00 52.86 56.10 1shy s ASN 117 Cb -0.42 -2.58 -0.11 0.00 -0.55 0.00 0.00 41.25 37.60 1shy s ASN 117 CO 0.32 -0.64 -0.00 0.23 -2.79 0.00 0.00 177.10 174.22 1shy n MET 118 N 4.30 1.89 -3.98 0.43 2.81 -0.65 -4.78 117.12 117.14 1shy n MET 118 Ca 0.12 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.94 1shy n MET 118 Cb 0.43 -1.25 -0.09 0.00 -0.71 0.00 0.00 33.22 31.60 1shy n MET 118 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1shy s ALA 119 N -2.24 0.14 -0.30 3.04 0.00 -0.85 -4.83 121.76 116.73 1shy s ALA 119 Ca -0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1shy s ALA 119 Cb 0.03 0.29 0.15 0.00 0.00 0.00 0.00 23.12 23.59 1shy s ALA 119 CO 0.37 -0.36 0.62 -1.17 0.00 0.00 0.00 175.76 175.22 1shy s LEU 120 N -2.49 -1.20 -0.06 0.00 2.96 -1.26 -2.11 118.68 114.51 1shy s LEU 120 Ca 0.00 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1shy s LEU 120 Cb 0.03 2.21 0.02 0.00 0.50 0.00 0.00 46.19 48.95 1shy s LEU 120 CO -0.07 -0.23 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 1shy s VAL 121 N 2.87 0.59 0.01 1.68 1.01 -0.12 -4.93 120.40 121.51 1shy s VAL 121 Ca 0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1shy s VAL 121 Cb -0.13 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1shy s VAL 121 CO -0.19 0.26 0.64 -0.69 0.00 0.00 0.00 175.10 175.11 1shy s VAL 122 N 1.25 4.86 0.03 2.92 1.01 -1.26 0.07 120.40 129.28 1shy s VAL 122 Ca -0.06 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.36 1shy s VAL 122 Cb -0.14 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1shy s VAL 122 CO -0.02 0.41 -0.26 -0.62 0.00 0.00 0.00 175.10 174.61 1shy s ASP 123 N -0.17 3.12 0.00 3.32 2.15 -0.12 -4.95 116.67 120.01 1shy s ASP 123 Ca 0.33 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1shy s ASP 123 Cb -0.19 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.13 1shy s ASP 123 CO 0.19 0.27 0.10 1.07 -0.17 0.00 0.00 175.17 176.63 1shy n THR 124 N 1.96 0.01 -0.01 1.71 5.66 -1.26 -1.81 114.28 120.53 1shy n THR 124 Ca -0.17 -0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1shy n THR 124 Cb 0.52 1.80 -0.10 0.00 -1.55 0.00 0.00 70.33 71.00 1shy n THR 124 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 1shy h TYR 125 N 0.00 -0.04 -3.14 1.09 3.20 -1.99 -3.44 116.97 112.64 1shy h TYR 125 Ca 0.00 -0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1shy h TYR 125 Cb 0.57 0.01 0.10 0.00 1.54 0.00 0.00 36.73 38.96 1shy h TYR 125 CO 0.00 0.53 0.25 0.66 -1.64 0.00 0.00 178.16 177.96 1shy n TYR 126 N -4.82 -3.97 -1.74 -3.82 0.53 -1.26 -4.96 117.16 97.11 1shy n TYR 126 Ca -0.09 -0.71 -0.42 0.00 -1.02 0.00 0.00 57.90 55.66 1shy n TYR 126 Cb 0.30 -0.61 -0.03 0.00 -1.03 0.00 0.00 39.34 37.97 1shy n TYR 126 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1shy s ASP 127 N -3.89 6.39 -0.04 7.72 1.01 -1.26 -4.76 116.67 121.84 1shy s ASP 127 Ca 0.45 2.86 -0.38 0.00 0.71 0.00 0.00 52.55 56.18 1shy s ASP 127 Cb -0.01 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.15 1shy s ASP 127 CO 0.31 -0.96 1.41 0.47 0.21 0.00 0.00 175.17 176.61 1shy n ASP 128 N 3.92 1.59 -3.74 0.27 10.43 -1.26 -4.87 116.55 122.89 1shy n ASP 128 Ca 0.16 1.12 -0.13 0.00 2.57 0.00 0.00 54.79 58.50 1shy n ASP 128 Cb 0.35 -1.13 -0.09 0.00 1.84 0.00 0.00 41.12 42.09 1shy n ASP 128 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1shy s GLN 129 N 1.27 0.60 -0.22 -1.24 -2.07 -0.75 -2.92 119.66 114.32 1shy s GLN 129 Ca 0.90 0.14 -0.18 0.00 -1.82 0.00 0.00 55.36 54.39 1shy s GLN 129 Cb -1.05 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 31.12 1shy s GLN 129 CO 0.54 -0.14 0.52 -1.17 -1.32 0.00 0.00 175.29 173.72 1shy s LEU 130 N -0.68 4.11 -0.20 2.60 2.96 0.83 -0.94 118.68 127.36 1shy s LEU 130 Ca -0.08 0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1shy s LEU 130 Cb -0.04 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1shy s LEU 130 CO 0.03 -0.22 0.06 -0.63 -1.32 0.00 0.00 176.35 174.27 1shy s ILE 131 N 1.88 4.56 0.01 6.68 1.01 0.11 0.65 121.20 136.10 1shy s ILE 131 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1shy s ILE 131 Cb -0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1shy s ILE 131 CO 0.09 0.42 -0.10 -0.94 0.00 0.00 0.00 174.94 174.41 1shy s SER 132 N 0.82 1.15 -0.23 3.58 1.04 -0.07 -0.94 113.70 119.04 1shy s SER 132 Ca 0.03 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1shy s SER 132 Cb -0.14 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 65.96 1shy s SER 132 CO 0.02 0.04 -0.01 0.00 0.98 0.00 0.00 173.24 174.28 1shy s GLY 134 N 1.56 1.65 0.00 0.00 0.00 -1.26 -1.64 107.32 107.64 1shy s GLY 134 Ca -0.02 -0.79 0.31 0.00 0.00 0.00 0.00 44.72 44.22 1shy s GLY 134 CO -0.08 -0.40 2.11 -1.14 0.00 0.00 0.00 173.10 173.59 1shy n SER 135 N -2.91 0.07 -0.09 1.64 3.41 -0.41 -3.87 113.62 111.45 1shy n SER 135 Ca 0.07 -0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 57.92 1shy n SER 135 Cb 0.60 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1shy n SER 135 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1shy n VAL 136 N -1.11 1.01 -2.44 -3.33 3.14 -1.26 -4.19 118.33 110.15 1shy n VAL 136 Ca 0.19 -0.29 -0.41 0.00 -2.96 0.00 0.00 64.34 60.88 1shy n VAL 136 Cb 0.19 -1.62 0.01 0.00 -1.06 0.00 0.00 33.84 31.37 1shy n VAL 136 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1shy n ASN 137 N -3.66 7.52 -2.52 6.55 3.02 -1.26 -4.60 115.26 120.31 1shy n ASN 137 Ca -0.35 -3.57 -0.19 0.00 -0.03 0.00 0.00 54.58 50.44 1shy n ASN 137 Cb 0.77 -1.21 0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1shy n ASN 137 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1shy n ARG 138 N 0.32 -3.80 -2.62 3.52 5.12 -1.26 -4.00 116.66 113.94 1shy n ARG 138 Ca 0.51 0.79 -0.09 0.00 -1.93 0.00 0.00 57.85 57.13 1shy n ARG 138 Cb 0.26 -5.37 0.05 0.00 -1.16 0.00 0.00 32.46 26.24 1shy n ARG 138 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1shy n GLY 139 N -1.36 -0.34 3.06 -0.13 0.00 -1.25 -4.29 105.19 100.88 1shy n GLY 139 Ca -0.11 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1shy n GLY 139 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1shy s THR 140 N -3.24 2.16 0.51 2.61 -1.32 -1.25 0.23 115.64 115.34 1shy s THR 140 Ca 0.25 -1.70 -0.20 0.00 -1.21 0.00 0.00 61.69 58.83 1shy s THR 140 Cb -0.03 -2.31 -0.07 0.00 -1.51 0.00 0.00 72.50 68.58 1shy s THR 140 CO 0.46 -0.09 1.07 0.00 -2.21 0.00 0.00 174.62 173.84 1shy s GLN 142 N -3.31 1.29 -0.18 0.00 -2.07 0.06 -0.95 119.66 114.50 1shy s GLN 142 Ca 0.69 -1.32 -0.08 0.00 -1.82 0.00 0.00 55.36 52.83 1shy s GLN 142 Cb -0.18 -1.60 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 1shy s GLN 142 CO 0.23 0.36 0.07 -0.98 -1.32 0.00 0.00 175.29 173.66 1shy s ARG 143 N -2.22 4.01 -0.29 9.60 1.70 0.08 -0.89 118.95 130.94 1shy s ARG 143 Ca 0.12 -0.32 -0.10 0.00 -0.47 0.00 0.00 55.73 54.96 1shy s ARG 143 Cb -0.09 -3.25 -0.03 0.00 -0.57 0.00 0.00 34.95 31.01 1shy s ARG 143 CO 0.06 0.29 0.17 -1.01 -1.08 0.00 0.00 175.30 173.72 1shy s HIS 144 N 0.35 3.19 -0.35 5.89 3.76 0.21 -1.26 115.29 127.08 1shy s HIS 144 Ca 0.04 -0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 54.64 1shy s HIS 144 Cb -0.12 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 1shy s HIS 144 CO -0.00 -0.29 0.28 0.08 -0.85 0.00 0.00 174.74 173.96 1shy s VAL 145 N 1.70 5.25 0.12 -0.90 1.01 0.11 -0.12 120.40 127.57 1shy s VAL 145 Ca 0.06 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1shy s VAL 145 Cb -0.16 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1shy s VAL 145 CO 0.09 -0.07 1.71 -0.36 0.00 0.00 0.00 175.10 176.47 1shy s PHE 146 N 1.80 2.47 0.88 5.22 2.99 -1.15 -4.40 117.98 125.80 1shy s PHE 146 Ca 0.07 0.24 -0.11 0.00 0.00 0.00 0.00 56.93 57.14 1shy s PHE 146 Cb -0.17 -4.06 0.13 0.00 0.00 0.00 0.00 43.02 38.91 1shy s PHE 146 CO 0.11 -4.23 1.16 -2.14 -0.00 0.00 0.00 175.22 170.12 1shy s PRO 147 N 2.27 1.18 0.00 0.24 0.02 -1.25 -4.84 135.00 132.62 1shy s PRO 147 Ca 0.76 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1shy s PRO 147 Cb -0.44 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1shy s PRO 147 CO 0.34 -2.52 0.42 0.72 -0.33 0.00 0.00 177.00 175.63 1shy n HIS 148 N -3.98 0.00 0.00 6.54 8.25 -1.26 -3.84 115.22 120.93 1shy n HIS 148 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1shy n HIS 148 Cb 0.52 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1shy n HIS 148 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1shy n ASN 149 N -0.19 0.00 -4.64 0.41 5.15 -1.26 -5.08 115.26 109.65 1shy n ASN 149 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1shy n ASN 149 Cb 0.06 0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 1shy n ASN 149 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1shy s HIS 150 N -1.82 2.13 -0.86 1.20 2.46 -1.25 -4.86 115.29 112.28 1shy s HIS 150 Ca 0.00 0.49 0.23 0.00 0.47 0.00 0.00 55.06 56.24 1shy s HIS 150 Cb 0.00 -3.91 0.02 0.00 -0.13 0.00 0.00 32.58 28.56 1shy s HIS 150 CO 0.00 -3.09 1.04 2.41 -2.47 0.00 0.00 174.74 172.63 1shy n THR 151 N 6.04 0.04 1.03 0.89 -1.04 -1.26 -3.83 114.28 116.15 1shy n THR 151 Ca 0.18 -0.08 0.08 0.00 -2.04 0.00 0.00 64.05 62.19 1shy n THR 151 Cb 0.44 0.58 0.27 0.00 -1.82 0.00 0.00 70.33 69.80 1shy n THR 151 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1shy n ALA 152 N -1.61 2.48 -2.50 2.41 0.00 -1.26 -4.64 120.51 115.39 1shy n ALA 152 Ca 0.04 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1shy n ALA 152 Cb 0.37 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1shy n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1shy n ASP 153 N 0.45 5.35 0.00 0.00 -0.08 -1.25 -4.68 116.55 116.34 1shy n ASP 153 Ca 0.14 -3.16 0.06 0.00 -1.51 0.00 0.00 54.79 50.32 1shy n ASP 153 Cb 0.32 -1.44 0.35 0.00 2.34 0.00 0.00 41.12 42.68 1shy n ASP 153 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1shy n ILE 154 N 2.99 0.21 -0.05 5.18 2.08 -1.26 -4.26 119.36 124.24 1shy n ILE 154 Ca 0.37 0.05 -0.08 0.00 0.56 0.00 0.00 62.75 63.65 1shy n ILE 154 Cb 0.36 -0.86 -0.04 0.00 -0.75 0.00 0.00 39.64 38.35 1shy n ILE 154 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1shy n GLN 155 N -1.08 0.21 -0.07 0.38 -0.06 -1.26 -4.77 117.38 110.73 1shy n GLN 155 Ca 0.08 0.07 -0.14 0.00 -2.00 0.00 0.00 57.00 55.01 1shy n GLN 155 Cb 0.06 -1.00 -0.06 0.00 -4.06 0.00 0.00 30.24 25.18 1shy n GLN 155 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1shy h SER 156 N -0.17 0.70 -3.56 1.69 4.64 -1.91 -3.41 113.55 111.53 1shy h SER 156 Ca -0.22 -0.53 -0.63 0.00 -0.47 0.00 0.00 61.79 59.94 1shy h SER 156 Cb 1.25 -0.20 -0.39 0.00 -0.31 0.00 0.00 62.40 62.75 1shy h SER 156 CO -0.09 1.10 -0.75 -0.70 -0.87 0.00 0.00 176.83 175.52 1shy s GLU 157 N -4.11 1.37 -0.09 4.77 2.12 -1.26 -5.08 118.70 116.42 1shy s GLU 157 Ca -0.12 -1.49 -0.02 0.00 0.36 0.00 0.00 54.97 53.71 1shy s GLU 157 Cb 0.07 -2.78 0.03 0.00 0.26 0.00 0.00 34.13 31.72 1shy s GLU 157 CO 0.83 -0.86 0.00 0.08 -0.54 0.00 0.00 175.26 174.77 1shy s VAL 158 N 1.18 0.45 -0.11 3.70 1.01 -1.26 0.06 120.40 125.42 1shy s VAL 158 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1shy s VAL 158 Cb -0.19 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1shy s VAL 158 CO -0.12 0.19 -0.08 -1.00 0.00 0.00 0.00 175.10 174.09 1shy s HIS 159 N 1.93 2.90 0.40 5.22 3.76 -0.38 -4.97 115.29 124.16 1shy s HIS 159 Ca 0.04 -0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.41 1shy s HIS 159 Cb -0.13 -1.82 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 1shy s HIS 159 CO -0.06 0.04 1.10 0.00 -0.85 0.00 0.00 174.74 174.96 1shy s ILE 161 N -1.55 3.69 -0.34 0.00 1.01 -0.12 -4.89 121.20 118.99 1shy s ILE 161 Ca 0.57 -2.41 0.04 0.00 0.00 0.00 0.00 60.65 58.86 1shy s ILE 161 Cb -0.26 -3.45 0.17 0.00 0.01 0.00 0.00 42.46 38.93 1shy s ILE 161 CO 0.32 -0.79 0.48 0.12 0.00 0.00 0.00 174.94 175.07 1shy s PHE 162 N 0.64 -1.13 0.00 3.97 5.99 -1.26 -4.42 117.98 121.77 1shy s PHE 162 Ca 0.12 0.09 -0.29 0.00 0.00 0.00 0.00 56.93 56.85 1shy s PHE 162 Cb -0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 43.02 42.73 1shy s PHE 162 CO -0.04 -1.05 0.93 0.45 -0.00 0.00 0.00 175.22 175.51 1shy s SER 163 N 2.09 7.32 0.44 6.13 0.15 -1.17 -4.93 113.70 123.73 1shy s SER 163 Ca 0.13 1.59 -0.25 0.00 0.70 0.00 0.00 55.95 58.13 1shy s SER 163 Cb -0.11 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 1shy s SER 163 CO -0.16 -0.21 1.29 -2.16 1.20 0.00 0.00 173.24 173.20 1shy s PRO 164 N 0.84 3.78 -0.27 5.44 0.04 -1.26 -4.94 135.00 138.62 1shy s PRO 164 Ca 0.49 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.52 1shy s PRO 164 Cb -0.21 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1shy s PRO 164 CO 0.26 -0.64 0.23 -1.14 0.04 0.00 0.00 177.00 175.76 1shy s GLN 165 N -2.45 3.99 0.00 4.56 2.00 -1.26 -4.96 119.66 121.54 1shy s GLN 165 Ca 0.61 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.74 1shy s GLN 165 Cb -0.37 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 29.80 1shy s GLN 165 CO 0.46 -0.16 0.00 -0.89 -0.50 0.00 0.00 175.29 174.20 1shy n ILE 166 N 4.94 0.00 0.27 -2.34 -0.00 -1.26 -4.26 119.36 116.71 1shy n ILE 166 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.51 1shy n ILE 166 Cb 0.52 -0.51 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 1shy n ILE 166 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1shy h GLU 167 N 0.00 -0.72 -3.27 0.38 4.39 -2.02 -3.38 114.58 109.95 1shy h GLU 167 Ca 0.00 0.05 -0.66 0.00 0.34 0.00 0.00 59.36 59.09 1shy h GLU 167 Cb 0.95 0.16 -0.39 0.00 -0.10 0.00 0.00 28.75 29.38 1shy h GLU 167 CO 0.00 -0.48 -0.42 -1.21 -1.16 0.00 0.00 179.01 175.74 1shy s GLU 168 N -3.99 2.63 0.00 2.33 0.41 -1.26 -4.96 118.70 113.86 1shy s GLU 168 Ca -0.11 -3.09 0.00 0.00 -0.41 0.00 0.00 54.97 51.37 1shy s GLU 168 Cb 0.01 -3.60 0.03 0.00 -1.78 0.00 0.00 34.13 28.79 1shy s GLU 168 CO 0.33 -1.23 0.54 -2.30 -0.49 0.00 0.00 175.26 172.11 1shy n PRO 169 N 2.48 0.01 0.07 0.39 -0.02 -1.26 -1.47 135.00 135.21 1shy n PRO 169 Ca 0.16 0.02 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1shy n PRO 169 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 1shy n PRO 169 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1shy h SER 170 N 0.00 0.21 -4.08 2.55 0.02 -1.90 -3.46 113.55 106.88 1shy h SER 170 Ca 0.00 -0.24 -0.49 0.00 -0.84 0.00 0.00 61.79 60.21 1shy h SER 170 Cb 0.00 -0.07 0.06 0.00 0.14 0.00 0.00 62.40 62.53 1shy h SER 170 CO 0.00 1.19 0.30 -1.10 -1.14 0.00 0.00 176.83 176.09 1shy s GLN 171 N -2.67 3.19 -0.43 3.45 -1.52 -0.54 -4.52 119.66 116.61 1shy s GLN 171 Ca -0.03 0.37 0.05 0.00 -1.95 0.00 0.00 55.36 53.81 1shy s GLN 171 Cb 0.08 -2.16 0.17 0.00 -0.22 0.00 0.00 33.01 30.89 1shy s GLN 171 CO 0.85 -0.69 0.46 0.00 -0.25 0.00 0.00 175.29 175.67 1shy n PRO 173 N 3.18 1.44 0.00 0.00 -0.05 -1.26 -2.36 135.00 135.94 1shy n PRO 173 Ca 0.22 -0.65 0.09 0.00 -0.05 0.00 0.00 63.50 63.12 1shy n PRO 173 Cb 0.50 -1.42 0.06 0.00 -0.05 0.00 0.00 33.50 32.59 1shy n PRO 173 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1shy n ASP 174 N -0.18 2.42 -4.42 3.54 8.00 -1.26 -4.35 116.55 120.30 1shy n ASP 174 Ca 0.18 -1.71 -0.45 0.00 0.71 0.00 0.00 54.79 53.52 1shy n ASP 174 Cb 0.25 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1shy n ASP 174 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shy h VAL 176 N 5.22 0.37 -2.86 0.00 2.07 0.26 -3.46 116.25 117.85 1shy h VAL 176 Ca 0.18 -1.41 -0.57 0.00 0.82 0.00 0.00 66.70 65.72 1shy h VAL 176 Cb 0.99 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1shy h VAL 176 CO 1.05 0.13 -0.40 0.54 0.02 0.00 0.00 177.57 178.90 1shy s VAL 177 N -2.16 5.27 -0.21 2.57 0.11 -0.60 -4.89 120.40 120.51 1shy s VAL 177 Ca -0.16 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 1shy s VAL 177 Cb 0.02 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.16 1shy s VAL 177 CO 0.32 -0.03 0.01 -0.55 -3.33 0.00 0.00 175.10 171.51 1shy s SER 178 N -2.86 4.88 0.51 3.54 0.15 -1.26 -3.82 113.70 114.83 1shy s SER 178 Ca 0.37 -0.20 0.40 0.00 0.70 0.00 0.00 55.95 57.22 1shy s SER 178 Cb -0.12 -1.84 1.58 0.00 -1.71 0.00 0.00 66.02 63.93 1shy s SER 178 CO 0.28 0.06 1.65 0.00 1.20 0.00 0.00 173.24 176.42 1shy h ALA 179 N 7.56 3.29 -0.69 5.45 0.00 -1.90 0.74 119.26 133.72 1shy h ALA 179 Ca -0.36 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.13 1shy h ALA 179 Cb 1.18 0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 1shy h ALA 179 CO 0.61 -1.82 0.17 1.47 0.00 0.00 0.00 179.25 179.68 1shy n LEU 180 N -4.25 5.56 0.00 0.00 -0.00 -1.26 -4.95 117.00 112.09 1shy n LEU 180 Ca 0.37 -3.99 0.00 0.00 -0.00 0.00 0.00 56.01 52.39 1shy n LEU 180 Cb 1.62 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 1shy n LEU 180 CO 0.36 1.39 0.00 0.61 -0.00 0.00 0.00 177.39 179.74 1shy n GLY 181 N -1.03 3.33 2.97 1.47 0.00 0.25 -4.59 105.19 107.59 1shy n GLY 181 Ca 0.47 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1shy n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shy s ALA 182 N 0.00 0.06 -0.05 4.61 0.00 -1.25 -0.45 121.76 124.68 1shy s ALA 182 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1shy s ALA 182 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1shy s ALA 182 CO 0.00 -0.14 -0.11 0.15 0.00 0.00 0.00 175.76 175.67 1shy s LYS 183 N -1.18 1.36 -0.10 0.00 -0.14 0.11 -4.95 119.74 114.85 1shy s LYS 183 Ca -0.13 -0.37 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1shy s LYS 183 Cb -0.08 -1.19 0.01 0.00 -1.68 0.00 0.00 37.83 34.89 1shy s LYS 183 CO -0.01 0.07 -0.18 0.08 -0.76 0.00 0.00 175.35 174.56 1shy s VAL 184 N 0.46 1.64 -0.08 3.17 1.01 -1.26 -0.46 120.40 124.88 1shy s VAL 184 Ca -0.09 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1shy s VAL 184 Cb -0.13 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1shy s VAL 184 CO 0.02 0.47 -0.09 -0.22 0.00 0.00 0.00 175.10 175.28 1shy s LEU 185 N 0.65 1.40 -0.06 3.92 2.96 0.26 -4.95 118.68 122.86 1shy s LEU 185 Ca -0.13 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1shy s LEU 185 Cb -0.16 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1shy s LEU 185 CO 0.04 -0.04 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.30 1shy s SER 186 N 1.11 3.69 -0.05 3.68 0.15 -1.26 -0.67 113.70 120.35 1shy s SER 186 Ca -0.07 -0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 1shy s SER 186 Cb -0.14 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 1shy s SER 186 CO -0.01 0.29 0.25 -0.94 1.20 0.00 0.00 173.24 174.03 1shy s SER 187 N -0.40 -0.18 0.03 5.45 1.04 0.10 -4.98 113.70 114.75 1shy s SER 187 Ca 0.04 0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 1shy s SER 187 Cb -0.12 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1shy s SER 187 CO 0.02 -0.28 0.78 -0.69 0.98 0.00 0.00 173.24 174.05 1shy s VAL 188 N -0.72 4.78 -0.27 5.02 1.01 -1.26 -0.52 120.40 128.45 1shy s VAL 188 Ca -0.08 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 1shy s VAL 188 Cb -0.04 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.31 1shy s VAL 188 CO 0.02 0.33 0.61 -0.75 0.00 0.00 0.00 175.10 175.31 1shy s LYS 189 N 0.18 0.58 -1.43 2.72 2.47 -0.32 -4.92 119.74 119.01 1shy s LYS 189 Ca 0.40 1.25 -0.03 0.00 -1.56 0.00 0.00 55.97 56.03 1shy s LYS 189 Cb -0.20 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1shy s LYS 189 CO 0.23 -0.18 0.45 -0.25 0.16 0.00 0.00 175.35 175.75 1shy n ASP 190 N 4.90 -5.62 0.00 1.43 9.92 -1.26 -1.98 116.55 123.93 1shy n ASP 190 Ca -0.16 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1shy n ASP 190 Cb 0.53 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.52 1shy n ASP 190 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1shy n ARG 191 N -3.52 -0.43 -4.50 -1.24 1.74 -1.26 -5.01 116.66 102.44 1shy n ARG 191 Ca -0.12 0.11 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 1shy n ARG 191 Cb 0.62 -3.64 -0.11 0.00 -1.02 0.00 0.00 32.46 28.32 1shy n ARG 191 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1shy s PHE 192 N -2.13 3.04 -0.21 -1.55 2.99 -0.84 -5.09 117.98 114.20 1shy s PHE 192 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 56.93 56.70 1shy s PHE 192 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 43.02 41.23 1shy s PHE 192 CO 0.00 0.35 1.51 0.42 -0.00 0.00 0.00 175.22 177.50 1shy s ILE 193 N -0.71 3.84 -0.07 0.64 1.01 -1.26 -1.18 121.20 123.47 1shy s ILE 193 Ca 0.11 0.97 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 1shy s ILE 193 Cb -0.11 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1shy s ILE 193 CO 0.02 -0.28 0.06 0.20 0.00 0.00 0.00 174.94 174.94 1shy s ASN 194 N 3.54 5.64 -0.24 3.58 0.01 0.32 -1.75 114.94 126.04 1shy s ASN 194 Ca 0.67 0.22 0.01 0.00 -0.71 0.00 0.00 52.86 53.05 1shy s ASN 194 Cb -0.24 -1.66 0.04 0.00 0.41 0.00 0.00 41.25 39.80 1shy s ASN 194 CO 0.26 0.36 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.74 1shy s PHE 195 N -1.00 3.07 -0.10 2.20 0.40 0.12 -0.72 117.98 121.94 1shy s PHE 195 Ca 0.16 -1.87 -0.12 0.00 -0.60 0.00 0.00 56.93 54.50 1shy s PHE 195 Cb -0.12 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 1shy s PHE 195 CO 0.06 -0.81 0.28 -0.06 0.70 0.00 0.00 175.22 175.39 1shy s PHE 196 N 1.23 3.58 -0.16 0.36 0.40 0.15 -1.75 117.98 121.80 1shy s PHE 196 Ca -0.02 0.69 -0.04 0.00 -0.60 0.00 0.00 56.93 56.96 1shy s PHE 196 Cb -0.17 -2.21 0.08 0.00 0.51 0.00 0.00 43.02 41.23 1shy s PHE 196 CO -0.07 0.50 0.24 0.08 0.70 0.00 0.00 175.22 176.67 1shy s VAL 197 N -0.42 -0.37 -0.08 -0.44 1.01 -0.89 -0.58 120.40 118.64 1shy s VAL 197 Ca 0.18 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 1shy s VAL 197 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1shy s VAL 197 CO 0.07 -0.00 0.56 -0.83 0.00 0.00 0.00 175.10 174.89 1shy s GLY 198 N 2.38 2.50 -0.06 4.51 0.00 0.39 -3.03 107.32 114.01 1shy s GLY 198 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 1shy s GLY 198 CO -0.10 0.87 0.09 -1.31 0.00 0.00 0.00 173.10 172.65 1shy s ASN 199 N 0.48 1.07 0.29 1.64 0.01 0.54 0.08 114.94 119.05 1shy s ASN 199 Ca 0.30 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 52.29 1shy s ASN 199 Cb -0.16 -0.03 -0.10 0.00 0.41 0.00 0.00 41.25 41.37 1shy s ASN 199 CO 0.14 -0.25 1.25 -0.89 -1.51 0.00 0.00 177.10 175.84 1shy s THR 200 N 2.20 3.01 -0.01 1.60 2.01 0.40 -4.23 115.64 120.61 1shy s THR 200 Ca 0.04 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1shy s THR 200 Cb -0.12 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1shy s THR 200 CO -0.04 0.22 0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 1shy s ILE 201 N -0.91 0.01 -0.04 1.82 1.01 -1.26 -4.55 121.20 117.28 1shy s ILE 201 Ca 0.49 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.12 1shy s ILE 201 Cb -0.37 -0.09 0.08 0.00 0.01 0.00 0.00 42.46 42.09 1shy s ILE 201 CO 0.47 -0.04 0.99 -0.46 0.00 0.00 0.00 174.94 175.90 1shy n ASN 202 N 2.92 0.77 0.00 3.58 6.94 -1.26 -4.71 115.26 123.51 1shy n ASN 202 Ca -0.13 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 1shy n ASN 202 Cb 0.59 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1shy n ASN 202 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1shy n SER 203 N -0.43 -3.76 -4.57 0.53 3.41 -1.25 -4.73 113.62 102.81 1shy n SER 203 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1shy n SER 203 Cb 0.64 -2.15 -0.12 0.00 -0.26 0.00 0.00 64.21 62.33 1shy n SER 203 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1shy n SER 204 N -0.47 1.30 -4.52 4.04 7.64 -1.26 -4.82 113.62 115.53 1shy n SER 204 Ca 0.00 -2.42 -0.29 0.00 1.01 0.00 0.00 58.87 57.18 1shy n SER 204 Cb 0.24 -1.72 -0.14 0.00 -1.01 0.00 0.00 64.21 61.57 1shy n SER 204 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shy n TYR 205 N 19.85 0.62 -3.16 1.43 -0.00 -1.26 -4.88 117.16 129.76 1shy n TYR 205 Ca 0.41 0.14 -0.42 0.00 -0.00 0.00 0.00 57.90 58.02 1shy n TYR 205 Cb 0.47 -1.82 -0.07 0.00 -0.00 0.00 0.00 39.34 37.92 1shy n TYR 205 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1shy s PHE 206 N 7.48 3.13 -0.03 2.98 5.36 -1.26 -5.02 117.98 130.61 1shy s PHE 206 Ca 1.21 0.11 -0.33 0.00 -0.96 0.00 0.00 56.93 56.96 1shy s PHE 206 Cb -0.74 -3.13 -0.11 0.00 -0.34 0.00 0.00 43.02 38.69 1shy s PHE 206 CO 0.41 -0.69 1.88 -2.30 -1.46 0.00 0.00 175.22 173.05 1shy n PRO 207 N 6.00 2.37 -0.63 10.12 -0.02 -1.26 -2.95 135.00 148.63 1shy n PRO 207 Ca -0.03 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1shy n PRO 207 Cb 0.48 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1shy n PRO 207 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1shy n ASP 208 N 6.52 -0.31 -3.20 2.55 8.00 -1.26 -4.84 116.55 124.02 1shy n ASP 208 Ca 0.21 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.47 1shy n ASP 208 Cb 0.32 -2.03 -0.06 0.00 -0.02 0.00 0.00 41.12 39.34 1shy n ASP 208 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1shy n HIS 209 N -2.01 1.69 -1.96 1.24 8.25 -1.15 -4.40 115.22 116.86 1shy n HIS 209 Ca 0.00 -3.86 -0.29 0.00 -0.26 0.00 0.00 57.72 53.31 1shy n HIS 209 Cb 0.02 -0.45 0.14 0.00 1.12 0.00 0.00 29.99 30.82 1shy n HIS 209 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1shy s PRO 210 N -2.29 1.26 0.33 -0.41 0.04 -1.25 -4.68 135.00 128.00 1shy s PRO 210 Ca 0.40 -0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.29 1shy s PRO 210 Cb 0.23 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 1shy s PRO 210 CO -0.08 -2.01 -0.07 -0.51 0.04 0.00 0.00 177.00 174.37 1shy s LEU 211 N -5.71 2.66 0.09 -3.56 1.43 -1.26 -4.79 118.68 107.54 1shy s LEU 211 Ca 0.68 -1.21 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1shy s LEU 211 Cb -0.07 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1shy s LEU 211 CO 0.51 -0.27 -0.23 -1.00 0.23 0.00 0.00 176.35 175.59 1shy s HIS 212 N -2.74 1.96 0.00 0.29 3.76 -1.26 -5.06 115.29 112.24 1shy s HIS 212 Ca 0.32 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.59 1shy s HIS 212 Cb 0.03 -1.11 -0.18 0.00 1.11 0.00 0.00 32.58 32.43 1shy s HIS 212 CO 0.15 0.20 1.33 0.77 -0.85 0.00 0.00 174.74 176.34 1shy h SER 213 N 4.32 0.09 -4.73 1.40 0.02 -1.73 -3.36 113.55 109.56 1shy h SER 213 Ca -0.46 -0.44 -0.24 0.00 -0.84 0.00 0.00 61.79 59.81 1shy h SER 213 Cb 1.17 -0.03 -0.18 0.00 0.14 0.00 0.00 62.40 63.50 1shy h SER 213 CO 0.41 0.51 -0.72 0.27 -1.14 0.00 0.00 176.83 176.17 1shy s ILE 214 N -4.45 0.58 -0.04 3.27 -0.00 -1.00 -0.34 121.20 119.23 1shy s ILE 214 Ca -0.15 -1.47 -0.30 0.00 -0.00 0.00 0.00 60.65 58.73 1shy s ILE 214 Cb 0.03 -1.09 0.11 0.00 -0.00 0.00 0.00 42.46 41.51 1shy s ILE 214 CO 0.69 -0.62 1.05 -0.94 -0.00 0.00 0.00 174.94 175.12 1shy s SER 215 N -2.25 -0.23 -0.06 4.36 1.04 -1.17 -0.99 113.70 114.41 1shy s SER 215 Ca -0.00 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 1shy s SER 215 Cb -0.03 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1shy s SER 215 CO -0.02 -0.51 0.10 0.54 0.98 0.00 0.00 173.24 174.32 1shy s VAL 216 N -2.85 -0.16 0.05 5.02 0.11 -0.09 -2.09 120.40 120.40 1shy s VAL 216 Ca 0.09 0.40 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1shy s VAL 216 Cb -0.00 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 1shy s VAL 216 CO -0.05 0.17 -0.07 0.00 -3.33 0.00 0.00 175.10 171.81 1shy s ARG 217 N 2.21 0.59 0.23 1.54 3.03 -0.72 -4.44 118.95 121.40 1shy s ARG 217 Ca 0.04 -0.89 0.07 0.00 2.03 0.00 0.00 55.73 56.99 1shy s ARG 217 Cb -0.12 -0.25 -0.04 0.00 -1.03 0.00 0.00 34.95 33.51 1shy s ARG 217 CO -0.04 0.03 0.16 -0.98 -1.13 0.00 0.00 175.30 173.34 1shy s ARG 218 N -2.11 2.83 0.74 3.89 1.70 -0.81 0.15 118.95 125.34 1shy s ARG 218 Ca -0.05 -1.06 -0.11 0.00 -0.47 0.00 0.00 55.73 54.04 1shy s ARG 218 Cb -0.06 -2.53 0.03 0.00 -0.57 0.00 0.00 34.95 31.82 1shy s ARG 218 CO -0.01 0.41 1.07 -0.51 -1.08 0.00 0.00 175.30 175.19 1shy s LEU 219 N -3.65 3.00 0.23 -1.89 1.43 -0.72 -0.61 118.68 116.47 1shy s LEU 219 Ca 0.32 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.94 1shy s LEU 219 Cb -0.08 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 1shy s LEU 219 CO 0.24 -1.71 0.57 -0.54 0.23 0.00 0.00 176.35 175.13 1shy s LYS 220 N -5.02 3.83 0.47 1.70 1.02 0.72 -4.77 119.74 117.70 1shy s LYS 220 Ca 0.59 0.32 0.32 0.00 0.02 0.00 0.00 55.97 57.23 1shy s LYS 220 Cb -0.15 -2.65 1.53 0.00 -0.52 0.00 0.00 37.83 36.04 1shy s LYS 220 CO 0.55 0.31 1.97 1.49 -0.92 0.00 0.00 175.35 178.75 1shy h GLU 221 N 2.59 0.00 0.00 1.68 4.81 -1.97 0.47 114.58 122.16 1shy h GLU 221 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1shy h GLU 221 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1shy h GLU 221 CO 0.69 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.22 1shy n THR 222 N -2.74 0.01 -1.32 0.32 -2.24 -1.26 -4.89 114.28 102.17 1shy n THR 222 Ca -0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1shy n THR 222 Cb 0.18 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 1shy n THR 222 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1shy n LYS 223 N -1.03 -1.41 -0.20 -0.78 5.02 0.17 -4.77 118.16 115.15 1shy n LYS 223 Ca 0.21 0.85 0.07 0.00 -2.02 0.00 0.00 58.31 57.42 1shy n LYS 223 Cb 0.11 -5.11 0.09 0.00 -0.02 0.00 0.00 35.03 30.11 1shy n LYS 223 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1shy n ASP 224 N -0.86 1.60 0.00 4.39 3.85 -1.26 -4.95 116.55 119.31 1shy n ASP 224 Ca -0.11 -2.72 0.00 0.00 -0.71 0.00 0.00 54.79 51.25 1shy n ASP 224 Cb 0.52 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 1shy n ASP 224 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1shy n GLY 225 N -0.97 2.42 3.86 6.12 0.00 -1.26 -3.05 105.19 112.31 1shy n GLY 225 Ca 0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1shy n GLY 225 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shy s PHE 226 N -1.37 3.40 -0.01 1.61 0.40 -1.26 -0.20 117.98 120.55 1shy s PHE 226 Ca 0.00 1.08 0.02 0.00 -0.60 0.00 0.00 56.93 57.43 1shy s PHE 226 Cb 0.00 -2.43 -0.00 0.00 0.51 0.00 0.00 43.02 41.09 1shy s PHE 226 CO 0.00 0.11 -0.08 0.00 0.70 0.00 0.00 175.22 175.96 1shy s MET 227 N -3.08 0.69 -0.07 0.44 0.23 0.22 -4.58 119.30 113.14 1shy s MET 227 Ca 0.52 -0.27 -0.24 0.00 -1.03 0.00 0.00 55.69 54.67 1shy s MET 227 Cb -0.10 -0.67 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 1shy s MET 227 CO 0.21 0.14 0.72 -0.06 -2.03 0.00 0.00 175.02 174.00 1shy s PHE 228 N -0.04 3.58 0.11 3.16 2.99 -1.26 -1.93 117.98 124.58 1shy s PHE 228 Ca 0.01 1.27 -0.09 0.00 0.00 0.00 0.00 56.93 58.12 1shy s PHE 228 Cb -0.05 -2.83 -0.13 0.00 0.00 0.00 0.00 43.02 40.02 1shy s PHE 228 CO -0.00 0.07 1.29 1.25 -0.00 0.00 0.00 175.22 177.83 1shy h LEU 229 N 6.82 0.76 -8.24 -0.37 5.85 -1.80 -3.47 115.31 114.87 1shy h LEU 229 Ca -0.41 -0.56 -0.08 0.00 0.84 0.00 0.00 57.88 57.67 1shy h LEU 229 Cb 1.20 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1shy h LEU 229 CO 0.76 1.35 -0.03 0.42 -0.34 0.00 0.00 178.44 180.59 1shy s THR 230 N -3.49 0.00 -1.41 1.05 -4.23 -1.26 -5.03 115.64 101.27 1shy s THR 230 Ca -0.08 -1.34 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1shy s THR 230 Cb 0.08 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.81 1shy s THR 230 CO 0.89 0.00 1.45 -0.90 -0.54 0.00 0.00 174.62 175.53 1shy n ASP 231 N -0.78 0.00 -0.78 3.99 3.85 -1.26 -1.46 116.55 120.11 1shy n ASP 231 Ca -0.02 0.08 0.08 0.00 -0.71 0.00 0.00 54.79 54.21 1shy n ASP 231 Cb 0.61 -0.29 0.22 0.00 -1.35 0.00 0.00 41.12 40.31 1shy n ASP 231 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1shy n GLN 232 N -1.29 1.99 -0.02 0.11 6.02 -1.26 -4.18 117.38 118.74 1shy n GLN 232 Ca 0.07 -1.53 0.12 0.00 -0.01 0.00 0.00 57.00 55.66 1shy n GLN 232 Cb 0.13 -1.35 0.25 0.00 1.02 0.00 0.00 30.24 30.28 1shy n GLN 232 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1shy n SER 233 N 0.74 2.54 -4.07 1.08 7.64 -0.53 -2.37 113.62 118.66 1shy n SER 233 Ca 0.15 -1.84 -0.12 0.00 1.01 0.00 0.00 58.87 58.07 1shy n SER 233 Cb 0.37 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 1shy n SER 233 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1shy s TYR 234 N -1.94 0.65 -0.13 1.43 -0.85 -1.26 -0.91 117.35 114.35 1shy s TYR 234 Ca 0.32 -0.58 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1shy s TYR 234 Cb 0.20 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1shy s TYR 234 CO 0.31 -0.11 -0.18 0.42 -1.52 0.00 0.00 175.55 174.46 1shy s ILE 235 N -1.79 1.78 -0.07 -3.49 1.01 -0.16 -4.98 121.20 113.49 1shy s ILE 235 Ca -0.07 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1shy s ILE 235 Cb -0.07 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1shy s ILE 235 CO -0.01 0.49 -0.23 -1.81 0.00 0.00 0.00 174.94 173.39 1shy s ASP 236 N 0.96 3.27 0.08 3.58 -0.00 -1.26 -2.37 116.67 120.94 1shy s ASP 236 Ca -0.05 -0.47 -0.36 0.00 -0.00 0.00 0.00 52.55 51.67 1shy s ASP 236 Cb -0.15 -1.02 -0.18 0.00 -0.00 0.00 0.00 42.92 41.57 1shy s ASP 236 CO -0.03 0.23 1.08 0.52 -0.00 0.00 0.00 175.17 176.97 1shy n VAL 237 N 3.05 0.47 -1.88 -1.27 0.31 -1.26 -4.53 118.33 113.21 1shy n VAL 237 Ca -0.18 -0.12 -0.41 0.00 -0.01 0.00 0.00 64.34 63.63 1shy n VAL 237 Cb 0.52 -0.37 -0.01 0.00 -0.91 0.00 0.00 33.84 33.08 1shy n VAL 237 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1shy s LEU 238 N 0.65 4.35 0.39 7.52 1.43 0.16 -4.75 118.68 128.44 1shy s LEU 238 Ca 0.82 2.95 0.24 0.00 -1.03 0.00 0.00 54.13 57.11 1shy s LEU 238 Cb -1.06 -3.66 1.35 0.00 0.03 0.00 0.00 46.19 42.85 1shy s LEU 238 CO 0.54 -0.80 1.60 -0.65 0.23 0.00 0.00 176.35 177.27 1shy h PRO 239 N 3.38 0.07 -0.53 1.29 0.11 -1.91 0.42 132.00 134.83 1shy h PRO 239 Ca -0.50 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1shy h PRO 239 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1shy h PRO 239 CO 0.67 0.05 0.08 1.05 -0.21 0.00 0.00 178.00 179.63 1shy h GLU 240 N 0.07 0.84 -0.01 1.05 4.11 -1.98 -3.16 114.58 115.49 1shy h GLU 240 Ca 0.83 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1shy h GLU 240 Cb 2.34 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1shy h GLU 240 CO -0.61 0.79 -0.58 1.19 0.07 0.00 0.00 179.01 179.87 1shy n PHE 241 N -4.24 0.00 0.33 2.06 3.01 0.03 -4.47 117.46 114.17 1shy n PHE 241 Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.55 1shy n PHE 241 Cb 0.26 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.06 1shy n PHE 241 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1shy h ARG 242 N 1.91 0.00 0.00 -1.08 2.43 -1.23 -1.25 114.38 115.16 1shy h ARG 242 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1shy h ARG 242 Cb 0.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1shy h ARG 242 CO 0.00 0.00 -1.51 -0.25 -1.51 0.00 0.00 179.97 176.70 1shy n ASP 243 N -2.63 0.82 0.00 -3.80 8.00 -1.26 -3.94 116.55 113.75 1shy n ASP 243 Ca -0.01 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1shy n ASP 243 Cb 0.74 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1shy n ASP 243 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1shy n SER 244 N -3.37 0.00 -3.62 -2.24 7.64 -0.47 -4.33 113.62 107.24 1shy n SER 244 Ca -0.18 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.63 1shy n SER 244 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1shy n SER 244 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1shy s TYR 245 N -2.71 -0.30 0.12 1.43 -0.00 -1.24 -4.96 117.35 109.69 1shy s TYR 245 Ca 0.00 0.05 0.02 0.00 -0.00 0.00 0.00 57.07 57.13 1shy s TYR 245 Cb 0.00 0.60 0.02 0.00 -0.00 0.00 0.00 41.96 42.58 1shy s TYR 245 CO 0.00 -0.80 0.13 -0.35 -0.00 0.00 0.00 175.55 174.54 1shy n PRO 246 N -0.37 1.08 -3.82 -3.49 -0.04 -1.26 -4.92 135.00 122.17 1shy n PRO 246 Ca -0.09 -0.67 -0.30 0.00 -0.04 0.00 0.00 63.50 62.40 1shy n PRO 246 Cb 0.62 -0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.93 1shy n PRO 246 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1shy s ILE 247 N -0.06 1.46 0.24 0.52 1.01 -1.26 -4.53 121.20 118.57 1shy s ILE 247 Ca 0.10 -1.96 -0.30 0.00 0.00 0.00 0.00 60.65 58.49 1shy s ILE 247 Cb -0.01 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 1shy s ILE 247 CO 0.06 -0.70 1.22 -0.75 0.00 0.00 0.00 174.94 174.78 1shy s LYS 248 N 1.11 4.48 -0.40 2.79 2.47 -0.74 -4.16 119.74 125.29 1shy s LYS 248 Ca 0.12 1.96 -0.09 0.00 -1.56 0.00 0.00 55.97 56.39 1shy s LYS 248 Cb -0.19 -3.19 0.06 0.00 -1.46 0.00 0.00 37.83 33.05 1shy s LYS 248 CO -0.15 -0.07 0.23 0.71 0.16 0.00 0.00 175.35 176.24 1shy s TYR 249 N -0.48 3.31 0.02 4.03 1.51 -1.26 -1.44 117.35 123.04 1shy s TYR 249 Ca 0.51 -1.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.06 1shy s TYR 249 Cb -0.35 -2.78 -0.32 0.00 -0.11 0.00 0.00 41.96 38.41 1shy s TYR 249 CO 0.41 -0.80 0.93 0.28 -1.11 0.00 0.00 175.55 175.27 1shy h VAL 250 N 6.05 1.23 -1.97 0.71 2.07 -1.45 -3.43 116.25 119.46 1shy h VAL 250 Ca -0.23 -2.76 -0.04 0.00 0.82 0.00 0.00 66.70 64.49 1shy h VAL 250 Cb 1.09 2.91 -0.19 0.00 -1.52 0.00 0.00 31.29 33.58 1shy h VAL 250 CO 0.72 0.84 0.23 -2.28 0.02 0.00 0.00 177.57 177.10 1shy s HIS 251 N -2.61 -0.62 0.03 1.57 5.65 -1.19 -4.91 115.29 113.21 1shy s HIS 251 Ca -0.09 1.06 0.00 0.00 0.25 0.00 0.00 55.06 56.28 1shy s HIS 251 Cb 0.05 0.42 -0.02 0.00 -1.18 0.00 0.00 32.58 31.85 1shy s HIS 251 CO 0.90 -0.58 -0.04 0.00 -0.65 0.00 0.00 174.74 174.36 1shy s ALA 252 N -1.23 0.30 0.00 1.58 0.00 -1.26 0.11 121.76 121.27 1shy s ALA 252 Ca -0.10 -0.74 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1shy s ALA 252 Cb -0.00 0.15 0.08 0.00 0.00 0.00 0.00 23.12 23.35 1shy s ALA 252 CO 0.09 -0.16 0.72 -0.59 0.00 0.00 0.00 175.76 175.81 1shy s PHE 253 N -1.88 -0.55 -0.15 0.00 -0.12 -0.46 -5.00 117.98 109.82 1shy s PHE 253 Ca -0.10 0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 57.44 1shy s PHE 253 Cb -0.07 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1shy s PHE 253 CO -0.02 -0.64 0.10 -2.00 -0.05 0.00 0.00 175.22 172.61 1shy s GLU 254 N -2.13 3.69 -0.28 1.99 2.12 -1.26 -0.40 118.70 122.43 1shy s GLU 254 Ca -0.05 -0.25 -0.19 0.00 0.36 0.00 0.00 54.97 54.84 1shy s GLU 254 Cb -0.00 -3.19 0.08 0.00 0.26 0.00 0.00 34.13 31.27 1shy s GLU 254 CO 0.00 0.52 0.72 0.45 -0.54 0.00 0.00 175.26 176.42 1shy s SER 255 N -0.31 -0.85 -0.55 -1.70 0.15 -0.71 -4.96 113.70 104.77 1shy s SER 255 Ca 0.10 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1shy s SER 255 Cb -0.12 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1shy s SER 255 CO 0.01 -0.24 0.00 0.59 1.20 0.00 0.00 173.24 174.81 1shy n ASN 256 N 3.70 -3.95 0.00 5.45 3.02 -1.26 -2.74 115.26 119.48 1shy n ASN 256 Ca -0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1shy n ASN 256 Cb 0.58 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 1shy n ASN 256 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1shy n ASN 257 N 0.44 -1.58 -4.75 6.41 4.13 -1.26 -5.07 115.26 113.59 1shy n ASN 257 Ca -0.05 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 55.98 1shy n ASN 257 Cb 0.22 -0.26 -0.06 0.00 -1.54 0.00 0.00 39.78 38.15 1shy n ASN 257 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1shy s PHE 258 N -2.40 2.87 -0.11 3.10 0.40 -1.11 -2.82 117.98 117.92 1shy s PHE 258 Ca 0.00 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1shy s PHE 258 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 1shy s PHE 258 CO 0.00 0.49 0.04 0.42 0.70 0.00 0.00 175.22 176.88 1shy s ILE 259 N -2.27 4.67 -0.06 0.64 -1.09 -0.13 -1.73 121.20 121.23 1shy s ILE 259 Ca 0.34 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1shy s ILE 259 Cb -0.06 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1shy s ILE 259 CO 0.23 0.59 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.99 1shy s TYR 260 N -0.76 2.47 0.01 3.97 1.51 0.46 -1.88 117.35 123.14 1shy s TYR 260 Ca 0.12 -0.63 0.07 0.00 -1.01 0.00 0.00 57.07 55.61 1shy s TYR 260 Cb -0.12 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1shy s TYR 260 CO 0.03 -0.16 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.06 1shy s PHE 261 N -0.24 2.53 -0.09 2.71 0.40 0.91 -1.35 117.98 122.85 1shy s PHE 261 Ca -0.01 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1shy s PHE 261 Cb -0.13 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1shy s PHE 261 CO 0.03 0.18 0.01 -0.51 0.70 0.00 0.00 175.22 175.63 1shy s LEU 262 N -1.11 3.63 -0.01 -0.37 1.43 0.31 -0.30 118.68 122.27 1shy s LEU 262 Ca 0.13 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.24 1shy s LEU 262 Cb -0.10 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1shy s LEU 262 CO 0.03 0.38 0.32 0.28 0.23 0.00 0.00 176.35 177.58 1shy s THR 263 N -0.87 0.06 -0.14 5.49 -1.32 -0.87 -1.04 115.64 116.95 1shy s THR 263 Ca 0.13 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 60.11 1shy s THR 263 Cb -0.11 -0.67 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1shy s THR 263 CO 0.02 -0.27 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.41 1shy s VAL 264 N -1.51 1.02 -0.30 5.08 1.01 -0.52 -1.36 120.40 123.82 1shy s VAL 264 Ca -0.12 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1shy s VAL 264 Cb -0.04 -1.15 0.18 0.00 0.00 0.00 0.00 36.38 35.37 1shy s VAL 264 CO 0.03 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.48 1shy s GLN 265 N 1.69 0.18 -0.12 2.72 -2.07 -0.02 -1.80 119.66 120.24 1shy s GLN 265 Ca 0.02 0.38 -0.11 0.00 -1.82 0.00 0.00 55.36 53.83 1shy s GLN 265 Cb -0.14 0.15 0.02 0.00 -1.09 0.00 0.00 33.01 31.94 1shy s GLN 265 CO -0.08 -0.05 0.18 2.89 -1.32 0.00 0.00 175.29 176.92 1shy n ARG 266 N 4.10 -0.62 -0.33 9.60 1.85 -1.26 -4.45 116.66 125.56 1shy n ARG 266 Ca -0.12 0.66 0.27 0.00 -1.00 0.00 0.00 57.85 57.65 1shy n ARG 266 Cb 0.55 -0.89 0.50 0.00 -1.05 0.00 0.00 32.46 31.57 1shy n ARG 266 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1shy h GLU 267 N 2.07 0.00 -3.88 2.89 4.81 -1.40 -3.39 114.58 115.69 1shy h GLU 267 Ca -0.16 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1shy h GLU 267 Cb 0.75 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.01 1shy h GLU 267 CO 0.06 0.00 -0.28 0.95 -0.73 0.00 0.00 179.01 179.01 1shy s THR 268 N -5.67 0.04 0.69 0.32 -4.23 -1.26 -5.09 115.64 100.44 1shy s THR 268 Ca -0.10 -1.44 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 1shy s THR 268 Cb 0.33 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1shy s THR 268 CO 0.78 -0.17 1.11 -1.48 -0.54 0.00 0.00 174.62 174.33 1shy s LEU 269 N -3.00 3.29 0.00 4.79 2.34 -1.26 -1.90 118.68 122.94 1shy s LEU 269 Ca 0.21 1.99 0.00 0.00 0.06 0.00 0.00 54.13 56.38 1shy s LEU 269 Cb 0.02 -4.55 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 1shy s LEU 269 CO 0.04 -1.79 0.00 -0.90 -1.06 0.00 0.00 176.35 172.64 1shy n ASP 270 N -2.72 -0.33 -3.63 1.48 5.68 -1.26 -4.82 116.55 110.95 1shy n ASP 270 Ca 0.10 0.17 -0.35 0.00 -0.50 0.00 0.00 54.79 54.20 1shy n ASP 270 Cb 0.52 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1shy n ASP 270 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1shy n ALA 271 N -0.99 4.87 0.00 2.12 0.00 -0.80 -5.00 120.51 120.72 1shy n ALA 271 Ca 0.00 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.68 1shy n ALA 271 Cb 0.17 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1shy n ALA 271 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1shy n GLN 272 N 0.78 0.00 -3.67 0.00 1.13 -1.26 -4.36 117.38 109.99 1shy n GLN 272 Ca 0.31 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.03 1shy n GLN 272 Cb 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.65 1shy n GLN 272 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1shy s THR 273 N 0.00 5.20 0.31 5.09 -1.32 -1.26 -4.29 115.64 119.37 1shy s THR 273 Ca 0.00 0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.79 1shy s THR 273 Cb 0.00 -3.61 0.04 0.00 -1.51 0.00 0.00 72.50 67.43 1shy s THR 273 CO 0.00 0.30 0.36 0.49 -2.21 0.00 0.00 174.62 173.56 1shy n PHE 274 N 0.91 -2.04 0.00 9.09 3.01 -1.25 -1.26 117.46 125.92 1shy n PHE 274 Ca -0.09 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.17 1shy n PHE 274 Cb 0.52 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1shy n PHE 274 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1shy n HIS 275 N -1.52 0.00 -4.80 1.38 -0.00 -1.20 -4.69 115.22 104.38 1shy n HIS 275 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.45 1shy n HIS 275 Cb 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.19 1shy n HIS 275 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1shy s THR 276 N -1.01 3.07 0.31 3.57 2.01 -0.92 -0.84 115.64 121.83 1shy s THR 276 Ca 0.00 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1shy s THR 276 Cb 0.00 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 1shy s THR 276 CO 0.00 0.54 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.24 1shy s ARG 277 N 0.05 1.69 0.11 4.92 0.52 -0.46 -0.36 118.95 125.41 1shy s ARG 277 Ca -0.05 -1.85 -0.06 0.00 -0.52 0.00 0.00 55.73 53.26 1shy s ARG 277 Cb -0.14 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.74 1shy s ARG 277 CO 0.04 0.15 0.36 0.42 0.02 0.00 0.00 175.30 176.29 1shy s ILE 278 N -2.73 5.18 -0.07 1.52 1.01 0.80 -2.05 121.20 124.87 1shy s ILE 278 Ca 0.31 0.11 0.05 0.00 0.00 0.00 0.00 60.65 61.12 1shy s ILE 278 Cb 0.01 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1shy s ILE 278 CO 0.14 0.13 -0.22 -0.63 0.00 0.00 0.00 174.94 174.37 1shy s ILE 279 N -1.55 1.85 -0.01 2.92 1.01 0.60 -0.36 121.20 125.66 1shy s ILE 279 Ca 0.37 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1shy s ILE 279 Cb -0.13 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1shy s ILE 279 CO 0.22 0.52 -0.05 -0.60 0.00 0.00 0.00 174.94 175.03 1shy s ARG 280 N 0.07 0.43 0.11 2.79 3.00 -0.75 -0.06 118.95 124.54 1shy s ARG 280 Ca -0.08 -0.18 -0.18 0.00 -1.00 0.00 0.00 55.73 54.28 1shy s ARG 280 Cb -0.14 -0.42 0.04 0.00 0.00 0.00 0.00 34.95 34.43 1shy s ARG 280 CO 0.05 0.10 0.46 -0.59 0.00 0.00 0.00 175.30 175.32 1shy s PHE 281 N -0.07 -0.31 0.31 5.12 -0.12 -0.78 -2.23 117.98 119.89 1shy s PHE 281 Ca 0.01 0.09 -0.29 0.00 -0.05 0.00 0.00 56.93 56.69 1shy s PHE 281 Cb -0.03 0.33 -0.10 0.00 -0.63 0.00 0.00 43.02 42.59 1shy s PHE 281 CO -0.00 -0.71 1.41 0.00 -0.05 0.00 0.00 175.22 175.87 1shy s SER 283 N -0.03 5.40 -0.02 0.00 0.15 -1.13 -4.28 113.70 113.80 1shy s SER 283 Ca 0.55 -1.78 -0.00 0.00 0.70 0.00 0.00 55.95 55.42 1shy s SER 283 Cb -0.42 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.33 1shy s SER 283 CO 0.51 -2.68 0.03 -0.63 1.20 0.00 0.00 173.24 171.68 1shy s ILE 284 N 9.59 -0.05 0.20 6.45 1.01 -1.26 -5.01 121.20 132.13 1shy s ILE 284 Ca 0.65 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1shy s ILE 284 Cb -0.00 -0.08 0.21 0.00 0.01 0.00 0.00 42.46 42.60 1shy s ILE 284 CO 0.11 0.08 1.32 0.59 0.00 0.00 0.00 174.94 177.04 1shy n ASN 285 N 4.05 -0.55 0.16 3.58 3.02 -1.26 -2.72 115.26 121.54 1shy n ASN 285 Ca -0.26 1.48 0.10 0.00 -0.03 0.00 0.00 54.58 55.88 1shy n ASN 285 Cb 0.51 -0.34 0.56 0.00 -0.61 0.00 0.00 39.78 39.90 1shy n ASN 285 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1shy n SER 286 N -5.26 0.53 0.00 6.41 3.41 -1.26 -4.54 113.62 112.92 1shy n SER 286 Ca 0.09 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1shy n SER 286 Cb 0.34 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1shy n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1shy n GLY 287 N -1.31 2.57 3.66 5.00 0.00 -1.10 -4.30 105.19 109.72 1shy n GLY 287 Ca -0.01 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1shy n GLY 287 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shy s LEU 288 N 0.00 4.13 0.00 0.99 1.43 -1.00 -4.37 118.68 119.86 1shy s LEU 288 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1shy s LEU 288 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1shy s LEU 288 CO 0.00 -0.65 0.00 1.41 0.23 0.00 0.00 176.35 177.34 1shy n HIS 289 N 6.15 0.00 -2.64 0.29 8.25 -1.26 -4.58 115.22 121.43 1shy n HIS 289 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 1shy n HIS 289 Cb 0.46 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.58 1shy n HIS 289 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1shy n SER 290 N -2.01 6.49 -4.72 0.41 7.64 -1.26 0.82 113.62 120.98 1shy n SER 290 Ca 0.00 -3.36 -0.42 0.00 1.01 0.00 0.00 58.87 56.10 1shy n SER 290 Cb 0.00 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1shy n SER 290 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1shy s TYR 291 N -2.11 3.51 -0.26 1.43 5.04 -1.26 -4.35 117.35 119.36 1shy s TYR 291 Ca 0.38 1.45 -0.17 0.00 -2.44 0.00 0.00 57.07 56.28 1shy s TYR 291 Cb 0.11 -3.34 0.07 0.00 0.35 0.00 0.00 41.96 39.15 1shy s TYR 291 CO 0.01 -0.90 0.64 -1.64 -1.34 0.00 0.00 175.55 172.32 1shy s MET 292 N 0.60 0.68 -0.19 4.97 -1.94 -0.95 -2.42 119.30 120.06 1shy s MET 292 Ca 0.55 1.08 -0.05 0.00 -1.71 0.00 0.00 55.69 55.56 1shy s MET 292 Cb -0.28 0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.71 1shy s MET 292 CO 0.31 -0.14 -0.00 -1.21 -0.01 0.00 0.00 175.02 173.97 1shy s GLU 293 N 1.26 3.67 -0.12 2.03 2.02 -0.85 -1.80 118.70 124.90 1shy s GLU 293 Ca -0.07 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1shy s GLU 293 Cb -0.05 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.13 1shy s GLU 293 CO -0.13 0.09 -0.16 1.41 0.02 0.00 0.00 175.26 176.48 1shy s MET 294 N 0.79 2.38 0.59 1.61 -2.45 0.52 -2.25 119.30 120.49 1shy s MET 294 Ca 0.00 -0.62 -0.18 0.00 -1.25 0.00 0.00 55.69 53.64 1shy s MET 294 Cb -0.14 -2.02 -0.06 0.00 1.25 0.00 0.00 34.83 33.86 1shy s MET 294 CO 0.02 -0.07 0.82 -0.35 1.05 0.00 0.00 175.02 176.49 1shy n PRO 295 N 4.24 0.77 -4.80 4.11 -0.04 -1.26 -0.14 135.00 137.88 1shy n PRO 295 Ca -0.19 0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 1shy n PRO 295 Cb 0.51 -2.01 -0.15 0.00 -0.04 0.00 0.00 33.50 31.80 1shy n PRO 295 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1shy s LEU 296 N -1.12 2.01 -0.11 1.53 1.43 0.51 -2.23 118.68 120.70 1shy s LEU 296 Ca 0.73 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1shy s LEU 296 Cb -0.43 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1shy s LEU 296 CO 0.49 0.20 -0.12 -1.61 0.23 0.00 0.00 176.35 175.53 1shy s GLU 297 N -0.31 1.95 -0.15 1.70 2.02 -0.98 -4.37 118.70 118.56 1shy s GLU 297 Ca 0.05 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1shy s GLU 297 Cb -0.07 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1shy s GLU 297 CO -0.00 -0.13 0.02 0.00 0.02 0.00 0.00 175.26 175.17 1shy s ILE 299 N 0.09 1.08 -0.02 0.00 -4.36 -1.03 0.12 121.20 117.07 1shy s ILE 299 Ca 0.03 -1.67 -0.11 0.00 -0.26 0.00 0.00 60.65 58.64 1shy s ILE 299 Cb -0.13 -1.42 -0.32 0.00 1.25 0.00 0.00 42.46 41.85 1shy s ILE 299 CO 0.02 -0.51 0.78 0.25 0.24 0.00 0.00 174.94 175.72 1shy h LEU 300 N 3.54 0.66 -2.24 0.37 5.85 -1.52 0.27 115.31 122.24 1shy h LEU 300 Ca -0.38 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.45 1shy h LEU 300 Cb 1.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1shy h LEU 300 CO 0.52 1.73 -0.87 1.07 -0.34 0.00 0.00 178.44 180.55 1shy n THR 301 N -3.61-10.93 -3.58 1.05 5.66 -1.26 -4.72 114.28 96.88 1shy n THR 301 Ca -0.22 1.63 -0.37 0.00 -3.05 0.00 0.00 64.05 62.05 1shy n THR 301 Cb 1.08 -6.62 -0.09 0.00 -1.55 0.00 0.00 70.33 63.15 1shy n THR 301 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1shy s LYS 311 N -1.47 4.08 -0.49 1.09 1.02 -1.26 -5.18 119.74 117.53 1shy s LYS 311 Ca 0.00 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1shy s LYS 311 Cb -0.00 -3.55 0.11 0.00 -0.52 0.00 0.00 37.83 33.87 1shy s LYS 311 CO 0.70 0.01 0.40 -2.00 -0.92 0.00 0.00 175.35 173.53 1shy s GLU 312 N 1.21 2.73 -0.07 1.68 2.56 -1.26 -5.08 118.70 120.47 1shy s GLU 312 Ca 0.10 -1.67 -0.06 0.00 0.00 0.00 0.00 54.97 53.34 1shy s GLU 312 Cb -0.14 -4.07 -0.04 0.00 2.00 0.00 0.00 34.13 31.88 1shy s GLU 312 CO 0.06 -1.21 0.17 0.08 -0.56 0.00 0.00 175.26 173.81 1shy s VAL 313 N 1.49 5.46 -0.65 3.70 1.01 -1.26 -1.24 120.40 128.90 1shy s VAL 313 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1shy s VAL 313 Cb -0.27 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 32.81 1shy s VAL 313 CO 0.02 0.51 0.48 -0.36 0.00 0.00 0.00 175.10 175.75 1shy s PHE 314 N -1.14 3.45 -1.52 5.22 0.08 0.31 -4.62 117.98 119.76 1shy s PHE 314 Ca 0.20 -2.63 0.26 0.00 0.12 0.00 0.00 56.93 54.88 1shy s PHE 314 Cb -0.12 -3.27 0.77 0.00 -0.57 0.00 0.00 43.02 39.82 1shy s PHE 314 CO 0.09 -0.86 1.58 0.27 -0.10 0.00 0.00 175.22 176.20 1shy n ASN 315 N 3.53 0.79 -4.06 1.36 6.94 -0.73 -3.99 115.26 119.11 1shy n ASN 315 Ca 0.09 -0.64 -0.34 0.00 -0.02 0.00 0.00 54.58 53.67 1shy n ASN 315 Cb 0.39 0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.80 1shy n ASN 315 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1shy s ILE 316 N -2.64 2.90 0.27 1.53 1.01 -0.33 -2.16 121.20 121.77 1shy s ILE 316 Ca 0.21 -2.48 -0.31 0.00 0.00 0.00 0.00 60.65 58.07 1shy s ILE 316 Cb 0.19 -3.02 -0.11 0.00 0.01 0.00 0.00 42.46 39.52 1shy s ILE 316 CO 0.56 -0.70 1.63 -0.22 0.00 0.00 0.00 174.94 176.20 1shy s LEU 317 N 0.66 4.35 -0.11 2.97 2.96 -1.26 -1.55 118.68 126.70 1shy s LEU 317 Ca 0.12 2.92 0.04 0.00 -0.22 0.00 0.00 54.13 56.98 1shy s LEU 317 Cb -0.22 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.76 1shy s LEU 317 CO -0.05 -0.93 -0.05 0.00 -1.32 0.00 0.00 176.35 174.00 1shy n GLN 318 N 2.73 1.15 -3.75 1.98 1.13 0.31 -4.95 117.38 115.98 1shy n GLN 318 Ca 0.10 0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 55.16 1shy n GLN 318 Cb 0.37 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 1shy n GLN 318 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1shy s ALA 319 N -2.23 -1.58 -0.26 -1.58 0.00 -1.14 -4.83 121.76 110.15 1shy s ALA 319 Ca -0.12 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1shy s ALA 319 Cb 0.04 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.94 1shy s ALA 319 CO 0.32 -1.01 0.94 0.00 0.00 0.00 0.00 175.76 176.00 1shy s ALA 320 N -3.41 -1.91 0.16 0.00 0.00 -1.26 -1.32 121.76 114.02 1shy s ALA 320 Ca 0.11 1.88 0.08 0.00 0.00 0.00 0.00 51.96 54.03 1shy s ALA 320 Cb -0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1shy s ALA 320 CO 0.02 -0.27 -0.17 -0.47 0.00 0.00 0.00 175.76 174.87 1shy s TYR 321 N 0.14 1.71 -0.10 0.00 5.04 -0.35 -4.93 117.35 118.87 1shy s TYR 321 Ca 0.02 -0.51 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1shy s TYR 321 Cb -0.05 -0.85 0.01 0.00 0.35 0.00 0.00 41.96 41.43 1shy s TYR 321 CO -0.03 0.30 -0.15 0.08 -1.34 0.00 0.00 175.55 174.41 1shy s VAL 322 N -2.26 1.43 0.34 3.14 1.01 -1.26 -0.43 120.40 122.37 1shy s VAL 322 Ca 0.16 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1shy s VAL 322 Cb -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1shy s VAL 322 CO 0.06 0.43 0.66 -0.94 0.00 0.00 0.00 175.10 175.30 1shy s SER 323 N 0.98 0.17 0.45 3.32 1.04 -0.74 -4.93 113.70 113.99 1shy s SER 323 Ca -0.07 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.17 1shy s SER 323 Cb -0.15 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 1shy s SER 323 CO -0.01 -1.46 0.79 -0.54 0.98 0.00 0.00 173.24 172.99 1shy s LYS 324 N -2.99 3.65 0.53 4.02 3.01 -1.26 -0.23 119.74 126.47 1shy s LYS 324 Ca 0.19 0.34 -0.03 0.00 -1.01 0.00 0.00 55.97 55.47 1shy s LYS 324 Cb -0.03 -2.37 0.01 0.00 -1.01 0.00 0.00 37.83 34.42 1shy s LYS 324 CO 0.13 -0.15 0.80 -1.25 0.51 0.00 0.00 175.35 175.39 1shy s PRO 325 N -4.37 2.96 0.44 -1.68 0.04 -1.25 -4.87 135.00 126.28 1shy s PRO 325 Ca 0.49 -0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.30 1shy s PRO 325 Cb -0.10 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1shy s PRO 325 CO 0.39 -0.53 0.67 0.20 0.04 0.00 0.00 177.00 177.77 1shy s GLY 326 N -4.28 1.54 0.23 0.56 0.00 -1.26 -4.85 107.32 99.26 1shy s GLY 326 Ca 0.52 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 1shy s GLY 326 CO 0.42 -0.84 1.72 0.00 0.00 0.00 0.00 173.10 174.40 1shy h ALA 327 N 0.41 0.88 0.71 3.20 0.00 -1.79 0.22 119.26 122.89 1shy h ALA 327 Ca -0.47 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1shy h ALA 327 Cb 1.25 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1shy h ALA 327 CO 0.58 -0.25 -0.47 0.37 0.00 0.00 0.00 179.25 179.48 1shy h GLN 328 N 0.36 -1.08 -0.86 0.00 4.15 -1.81 -0.39 115.11 115.48 1shy h GLN 328 Ca 0.36 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.90 1shy h GLN 328 Cb 0.53 0.25 -0.06 0.00 0.21 0.00 0.00 27.48 28.41 1shy h GLN 328 CO -0.39 -0.72 0.54 1.25 -1.93 0.00 0.00 178.83 177.57 1shy h LEU 329 N -1.12 0.86 0.00 -2.39 6.46 -1.71 -3.04 115.31 114.37 1shy h LEU 329 Ca -0.09 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1shy h LEU 329 Cb 0.91 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1shy h LEU 329 CO 0.07 0.57 0.00 0.00 -0.62 0.00 0.00 178.44 178.46 1shy n ALA 330 N -2.35 -0.23 -0.14 1.25 0.00 0.76 -1.27 120.51 118.53 1shy n ALA 330 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1shy n ALA 330 Cb 0.14 0.19 0.05 0.00 0.00 0.00 0.00 19.45 19.83 1shy n ALA 330 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1shy n ARG 331 N -2.05 -0.04 -0.05 0.00 0.63 -0.22 -1.30 116.66 113.63 1shy n ARG 331 Ca 0.00 0.59 -0.09 0.00 -0.92 0.00 0.00 57.85 57.43 1shy n ARG 331 Cb 0.00 -0.88 0.07 0.00 0.45 0.00 0.00 32.46 32.09 1shy n ARG 331 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1shy h GLN 332 N 0.00 0.70 -0.25 -0.14 4.20 -1.07 -3.35 115.11 115.21 1shy h GLN 332 Ca 0.18 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1shy h GLN 332 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1shy h GLN 332 CO -0.39 0.96 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 1shy n ILE 333 N -4.05 0.47 0.00 2.54 -6.64 -0.42 -4.92 119.36 106.34 1shy n ILE 333 Ca -0.02 -0.73 0.00 0.00 -1.77 0.00 0.00 62.75 60.23 1shy n ILE 333 Cb 0.51 0.94 0.00 0.00 -1.44 0.00 0.00 39.64 39.66 1shy n ILE 333 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1shy n GLY 334 N 0.93 1.18 7.00 3.28 0.00 -1.18 -4.94 105.19 111.47 1shy n GLY 334 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1shy n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shy n ALA 335 N -0.31 0.00 -1.54 4.61 0.00 -0.54 -4.99 120.51 117.75 1shy n ALA 335 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1shy n ALA 335 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1shy n ALA 335 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1shy n SER 336 N -1.77 -2.12 -0.54 0.00 2.88 -1.26 -4.76 113.62 106.05 1shy n SER 336 Ca 0.00 0.05 0.44 0.00 -1.33 0.00 0.00 58.87 58.02 1shy n SER 336 Cb 0.00 -1.14 0.72 0.00 -0.75 0.00 0.00 64.21 63.03 1shy n SER 336 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1shy n LEU 337 N 0.03 0.15 -2.69 2.46 -0.00 -1.26 -1.03 117.00 114.66 1shy n LEU 337 Ca -0.00 1.27 -0.31 0.00 -0.00 0.00 0.00 56.01 56.97 1shy n LEU 337 Cb 0.01 -0.63 0.01 0.00 -0.00 0.00 0.00 43.42 42.81 1shy n LEU 337 CO 0.01 -1.36 0.61 -3.20 -0.00 0.00 0.00 177.39 173.46 1shy n ASN 338 N -4.49 5.59 -4.32 1.96 5.15 -1.26 -4.35 115.26 113.54 1shy n ASN 338 Ca 0.41 -3.75 -0.29 0.00 -0.60 0.00 0.00 54.58 50.36 1shy n ASN 338 Cb 1.69 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 40.13 1shy n ASN 338 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1shy s ASP 339 N -2.76 2.95 -0.07 1.20 -1.08 -0.20 -5.08 116.67 111.63 1shy s ASP 339 Ca 0.49 -0.58 -0.29 0.00 -0.52 0.00 0.00 52.55 51.65 1shy s ASP 339 Cb 0.39 -0.26 -0.02 0.00 -1.46 0.00 0.00 42.92 41.57 1shy s ASP 339 CO -0.25 0.22 0.97 -1.81 0.52 0.00 0.00 175.17 174.82 1shy s ASP 340 N -1.27 7.26 -0.03 -0.34 1.01 -1.26 -3.81 116.67 118.23 1shy s ASP 340 Ca 0.10 1.54 0.07 0.00 0.71 0.00 0.00 52.55 54.97 1shy s ASP 340 Cb -0.10 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1shy s ASP 340 CO 0.02 -0.36 -0.23 -0.63 0.21 0.00 0.00 175.17 174.19 1shy s ILE 341 N 1.58 1.81 -0.53 0.77 1.09 0.68 -1.09 121.20 125.50 1shy s ILE 341 Ca 0.48 -0.97 -0.20 0.00 -1.10 0.00 0.00 60.65 58.87 1shy s ILE 341 Cb -0.19 -1.51 0.06 0.00 -1.06 0.00 0.00 42.46 39.76 1shy s ILE 341 CO 0.21 0.51 0.67 -0.22 -0.10 0.00 0.00 174.94 176.02 1shy s LEU 342 N -0.42 4.94 -0.23 2.97 2.96 0.22 -1.80 118.68 127.33 1shy s LEU 342 Ca 0.06 -0.95 -0.25 0.00 -0.22 0.00 0.00 54.13 52.77 1shy s LEU 342 Cb -0.10 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 1shy s LEU 342 CO 0.00 -0.97 0.86 -0.36 -1.32 0.00 0.00 176.35 174.56 1shy s PHE 343 N 2.79 3.34 -0.14 5.38 0.40 0.43 -0.50 117.98 129.67 1shy s PHE 343 Ca 0.16 1.21 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 1shy s PHE 343 Cb -0.19 -3.08 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1shy s PHE 343 CO 0.12 -0.38 -0.14 0.20 0.70 0.00 0.00 175.22 175.72 1shy s GLY 344 N 1.29 1.09 -0.40 4.36 0.00 -0.98 -1.21 107.32 111.46 1shy s GLY 344 Ca 0.37 -0.85 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 1shy s GLY 344 CO 0.08 0.53 0.62 0.14 0.00 0.00 0.00 173.10 174.47 1shy s VAL 345 N 1.46 4.88 0.06 1.40 1.01 -0.43 -1.88 120.40 126.91 1shy s VAL 345 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1shy s VAL 345 Cb -0.13 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1shy s VAL 345 CO -0.10 -0.44 0.07 0.49 0.00 0.00 0.00 175.10 175.12 1shy n PHE 346 N 6.10 -2.23 -3.56 5.22 3.01 0.02 -0.53 117.46 125.48 1shy n PHE 346 Ca -0.02 -0.25 -0.09 0.00 1.01 0.00 0.00 57.45 58.10 1shy n PHE 346 Cb 0.48 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 1shy n PHE 346 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1shy s ALA 347 N -2.08 -1.92 0.02 4.37 0.00 -0.60 -3.46 121.76 118.09 1shy s ALA 347 Ca 0.05 1.45 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 1shy s ALA 347 Cb -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1shy s ALA 347 CO 0.03 -0.43 0.56 -1.14 0.00 0.00 0.00 175.76 174.78 1shy s GLN 348 N -1.75 4.24 0.27 0.00 0.74 -1.07 -1.18 119.66 120.90 1shy s GLN 348 Ca 0.01 0.69 -0.29 0.00 0.05 0.00 0.00 55.36 55.82 1shy s GLN 348 Cb -0.01 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.71 1shy s GLN 348 CO -0.02 0.49 1.10 0.45 -0.55 0.00 0.00 175.29 176.76 1shy s SER 349 N -0.59 7.27 0.10 6.67 0.15 -1.26 -1.63 113.70 124.41 1shy s SER 349 Ca 0.29 2.25 -0.31 0.00 0.70 0.00 0.00 55.95 58.88 1shy s SER 349 Cb -0.18 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.42 1shy s SER 349 CO 0.17 -0.15 1.53 -0.54 1.20 0.00 0.00 173.24 175.45 1shy s LYS 350 N -1.32 4.24 0.22 5.44 1.02 -1.01 -4.81 119.74 123.53 1shy s LYS 350 Ca 0.45 2.24 -0.31 0.00 0.02 0.00 0.00 55.97 58.37 1shy s LYS 350 Cb -0.32 -3.36 -0.14 0.00 -0.52 0.00 0.00 37.83 33.49 1shy s LYS 350 CO 0.40 -0.60 1.28 -2.30 -0.92 0.00 0.00 175.35 173.21 1shy n PRO 351 N 4.63 1.64 -1.35 -1.68 -0.02 -1.26 -1.10 135.00 135.87 1shy n PRO 351 Ca 0.14 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1shy n PRO 351 Cb 0.41 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1shy n PRO 351 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1shy n ASP 352 N 1.98 -4.57 -2.46 2.55 9.92 -1.26 -4.99 116.55 117.72 1shy n ASP 352 Ca 0.13 0.29 -0.12 0.00 -0.53 0.00 0.00 54.79 54.56 1shy n ASP 352 Cb 0.29 -3.11 -0.04 0.00 -0.64 0.00 0.00 41.12 37.62 1shy n ASP 352 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1shy n SER 353 N -0.11 0.57 0.00 -2.24 3.41 -0.26 -4.78 113.62 110.22 1shy n SER 353 Ca -0.12 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1shy n SER 353 Cb 0.41 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 1shy n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shy n ALA 354 N -1.98 1.78 -1.77 7.33 0.00 -1.26 -3.91 120.51 120.71 1shy n ALA 354 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1shy n ALA 354 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 1shy n ALA 354 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1shy s GLU 355 N -1.37 4.12 -0.04 0.00 8.01 -1.26 -4.95 118.70 123.21 1shy s GLU 355 Ca 0.00 2.05 -0.11 0.00 0.01 0.00 0.00 54.97 56.91 1shy s GLU 355 Cb 0.00 -2.83 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 1shy s GLU 355 CO 0.00 -0.33 0.31 -1.25 0.01 0.00 0.00 175.26 174.00 1shy s PRO 356 N -2.11 3.73 0.73 0.39 0.04 -1.26 -2.39 135.00 134.12 1shy s PRO 356 Ca 0.54 0.19 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 1shy s PRO 356 Cb -0.36 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.05 1shy s PRO 356 CO 0.46 0.71 1.06 -1.64 0.04 0.00 0.00 177.00 177.63 1shy s MET 357 N -1.15 2.21 0.00 4.56 -1.94 -0.64 -4.87 119.30 117.47 1shy s MET 357 Ca 0.21 -0.10 -0.03 0.00 -1.71 0.00 0.00 55.69 54.06 1shy s MET 357 Cb -0.15 -2.11 -0.13 0.00 2.01 0.00 0.00 34.83 34.45 1shy s MET 357 CO 0.11 -1.29 2.57 -0.25 -0.01 0.00 0.00 175.02 176.15 1shy n ASP 358 N -3.01 4.64 -4.11 3.03 10.43 -1.26 -4.60 116.55 121.67 1shy n ASP 358 Ca 0.08 -2.30 -0.33 0.00 2.57 0.00 0.00 54.79 54.81 1shy n ASP 358 Cb 0.60 -1.13 -0.16 0.00 1.84 0.00 0.00 41.12 42.27 1shy n ASP 358 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1shy s ARG 359 N 0.80 2.91 0.20 -1.24 0.52 -1.25 -1.57 118.95 119.32 1shy s ARG 359 Ca 0.32 -0.85 0.09 0.00 -0.52 0.00 0.00 55.73 54.77 1shy s ARG 359 Cb 0.15 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 1shy s ARG 359 CO 0.00 -0.23 -0.17 -1.12 0.02 0.00 0.00 175.30 173.80 1shy s SER 360 N 1.29 2.76 -0.27 0.23 0.01 -0.83 -2.60 113.70 114.29 1shy s SER 360 Ca 0.04 -0.97 -0.23 0.00 1.31 0.00 0.00 55.95 56.10 1shy s SER 360 Cb -0.13 -0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.00 1shy s SER 360 CO -0.12 -0.09 0.70 0.00 0.41 0.00 0.00 173.24 174.13 1shy s ALA 361 N -2.58 -1.75 0.01 1.44 0.00 -1.22 -3.19 121.76 114.47 1shy s ALA 361 Ca 0.21 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.25 1shy s ALA 361 Cb -0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1shy s ALA 361 CO 0.08 -0.34 -0.08 1.41 0.00 0.00 0.00 175.76 176.83 1shy s MET 362 N 0.55 2.48 0.01 0.00 1.75 -1.26 -0.80 119.30 122.02 1shy s MET 362 Ca -0.01 -0.77 -0.21 0.00 -1.25 0.00 0.00 55.69 53.44 1shy s MET 362 Cb -0.05 -2.46 0.04 0.00 2.84 0.00 0.00 34.83 35.21 1shy s MET 362 CO -0.02 0.59 0.47 0.00 -0.65 0.00 0.00 175.02 175.41 1shy s ALA 364 N -1.86 2.40 -0.23 0.00 0.00 -1.26 -2.33 121.76 118.48 1shy s ALA 364 Ca -0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1shy s ALA 364 Cb -0.02 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1shy s ALA 364 CO 0.02 0.27 -0.08 -0.06 0.00 0.00 0.00 175.76 175.92 1shy s PHE 365 N 0.33 3.02 0.12 0.00 0.40 0.34 -4.92 117.98 117.28 1shy s PHE 365 Ca -0.15 -1.50 -0.31 0.00 -0.60 0.00 0.00 56.93 54.38 1shy s PHE 365 Cb -0.17 -2.04 -0.08 0.00 0.51 0.00 0.00 43.02 41.24 1shy s PHE 365 CO 0.07 -0.72 1.32 -2.14 0.70 0.00 0.00 175.22 174.45 1shy s PRO 366 N 1.34 4.37 0.56 0.24 0.02 -1.26 0.72 135.00 140.98 1shy s PRO 366 Ca 0.01 1.99 0.33 0.00 0.02 0.00 0.00 61.00 63.36 1shy s PRO 366 Cb -0.16 -3.26 1.61 0.00 0.02 0.00 0.00 34.50 32.71 1shy s PRO 366 CO -0.06 -0.34 2.09 -0.84 -0.33 0.00 0.00 177.00 177.53 1shy h ILE 367 N 4.18 0.25 -0.74 2.83 -0.00 -1.47 -1.08 117.51 121.49 1shy h ILE 367 Ca -0.43 -0.45 0.00 0.00 -0.00 0.00 0.00 64.86 63.98 1shy h ILE 367 Cb 1.21 1.36 -0.04 0.00 -0.00 0.00 0.00 36.82 39.35 1shy h ILE 367 CO 0.83 0.06 0.48 0.50 -0.00 0.00 0.00 178.15 180.01 1shy h LYS 368 N 0.00 0.98 0.23 0.16 3.64 -1.90 -1.10 116.57 118.58 1shy h LYS 368 Ca -0.00 -0.07 -0.33 0.00 -1.27 0.00 0.00 60.65 58.99 1shy h LYS 368 Cb 0.35 -0.22 0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1shy h LYS 368 CO 0.01 0.66 -1.42 1.88 -2.27 0.00 0.00 179.45 178.31 1shy h TYR 369 N 1.01 0.99 -0.74 1.91 0.99 -1.60 -2.91 116.97 116.62 1shy h TYR 369 Ca 0.27 -0.70 0.12 0.00 2.00 0.00 0.00 58.73 60.42 1shy h TYR 369 Cb -0.09 -0.05 -0.13 0.00 1.00 0.00 0.00 36.73 37.46 1shy h TYR 369 CO 0.00 1.54 -0.35 0.28 -0.00 0.00 0.00 178.16 179.63 1shy h VAL 370 N 0.16 0.11 -0.51 -2.88 2.07 -1.15 -0.03 116.25 114.02 1shy h VAL 370 Ca -0.24 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1shy h VAL 370 Cb 2.11 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1shy h VAL 370 CO 0.27 0.00 0.24 0.78 0.02 0.00 0.00 177.57 178.88 1shy h ASN 371 N -0.10 0.33 -0.10 0.57 2.35 -1.23 -0.90 115.58 116.49 1shy h ASN 371 Ca 0.28 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.10 1shy h ASN 371 Cb 0.57 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 1shy h ASN 371 CO -0.79 0.23 -0.21 0.44 -1.65 0.00 0.00 177.43 175.45 1shy h ASP 372 N 0.47 -0.63 -0.52 5.81 3.32 -1.02 0.69 116.42 124.54 1shy h ASP 372 Ca 0.23 0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.48 1shy h ASP 372 Cb 0.17 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1shy h ASP 372 CO -0.18 -0.26 0.36 0.15 -1.72 0.00 0.00 179.24 177.59 1shy h PHE 373 N -0.28 0.28 -0.01 4.55 3.57 -0.63 0.37 116.94 124.79 1shy h PHE 373 Ca 0.09 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 1shy h PHE 373 Cb 0.41 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.07 1shy h PHE 373 CO -0.30 0.13 -0.75 0.74 -2.23 0.00 0.00 178.31 175.90 1shy h PHE 374 N 0.26 0.78 0.03 0.41 0.05 0.33 -3.40 116.94 115.41 1shy h PHE 374 Ca 0.24 -0.42 -0.00 0.00 3.82 0.00 0.00 57.97 61.61 1shy h PHE 374 Cb 0.61 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.46 1shy h PHE 374 CO -0.00 1.24 -0.01 -0.91 -0.18 0.00 0.00 178.31 178.45 1shy h ASN 375 N 0.11 -0.03 -3.96 2.17 2.35 0.15 -3.48 115.58 112.88 1shy h ASN 375 Ca -0.09 -0.69 -0.54 0.00 -0.55 0.00 0.00 56.30 54.42 1shy h ASN 375 Cb 1.44 0.01 0.18 0.00 0.05 0.00 0.00 38.32 40.00 1shy h ASN 375 CO 0.15 0.76 0.16 0.29 -1.65 0.00 0.00 177.43 177.14 1shy n LYS 376 N -4.72 0.24 -2.53 0.81 4.01 0.01 -5.09 118.16 110.90 1shy n LYS 376 Ca -0.08 0.15 -0.41 0.00 -0.51 0.00 0.00 58.31 57.45 1shy n LYS 376 Cb 0.35 -2.30 -0.04 0.00 -0.51 0.00 0.00 35.03 32.54 1shy n LYS 376 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1shy s ILE 377 N -2.04 4.10 0.00 -0.18 -0.00 -1.26 -5.00 121.20 116.81 1shy s ILE 377 Ca 0.72 1.66 0.00 0.00 -0.00 0.00 0.00 60.65 63.02 1shy s ILE 377 Cb -0.30 -4.06 0.00 0.00 -0.00 0.00 0.00 42.46 38.10 1shy s ILE 377 CO 0.52 0.21 0.00 -3.20 -0.00 0.00 0.00 174.94 172.48 1shy n ASN 382 N 3.08 0.00 -4.08 4.36 4.05 -1.26 -5.22 115.26 116.19 1shy n ASN 382 Ca 0.05 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.79 1shy n ASN 382 Cb 0.47 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.31 1shy n ASN 382 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1shy s VAL 383 N 0.00 1.56 0.00 3.44 1.01 -1.26 -4.19 120.40 120.96 1shy s VAL 383 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1shy s VAL 383 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1shy s VAL 383 CO 0.00 0.45 0.00 -1.14 0.00 0.00 0.00 175.10 174.41 1shy n ARG 384 N 4.05 0.72 -4.16 2.72 0.63 -0.67 -4.98 116.66 114.98 1shy n ARG 384 Ca -0.20 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.58 1shy n ARG 384 Cb 0.52 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.31 1shy n ARG 384 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1shy s LEU 386 N -2.03 2.99 0.55 0.00 2.96 -0.92 -4.56 118.68 117.68 1shy s LEU 386 Ca -0.00 -0.64 0.25 0.00 -0.22 0.00 0.00 54.13 53.51 1shy s LEU 386 Cb -0.07 -2.56 1.49 0.00 0.50 0.00 0.00 46.19 45.54 1shy s LEU 386 CO 0.01 -3.29 2.08 -0.61 -1.32 0.00 0.00 176.35 173.22 1shy h GLN 387 N 11.48 0.00 -0.00 1.98 4.15 -1.85 -1.58 115.11 129.28 1shy h GLN 387 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1shy h GLN 387 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1shy h GLN 387 CO 1.14 0.00 -0.49 -2.39 -1.93 0.00 0.00 178.83 175.16 1shy n HIS 388 N -4.16 0.00 -0.04 3.99 1.44 -1.26 -4.15 115.22 111.04 1shy n HIS 388 Ca 0.03 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.68 1shy n HIS 388 Cb 0.37 -0.16 -0.03 0.00 0.12 0.00 0.00 29.99 30.28 1shy n HIS 388 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1shy n PHE 389 N -1.15 0.00 -2.24 -1.40 7.35 -0.68 -0.66 117.46 118.68 1shy n PHE 389 Ca 0.08 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.50 1shy n PHE 389 Cb 0.35 -0.27 0.11 0.00 0.35 0.00 0.00 39.48 40.02 1shy n PHE 389 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1shy s TYR 390 N -2.14 2.20 0.91 -5.13 1.51 -0.72 -4.69 117.35 109.29 1shy s TYR 390 Ca -0.10 0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1shy s TYR 390 Cb 0.03 -3.38 0.14 0.00 -0.11 0.00 0.00 41.96 38.64 1shy s TYR 390 CO 0.15 -1.82 1.09 0.20 -1.11 0.00 0.00 175.55 174.06 1shy s GLY 391 N -4.68 1.62 0.49 0.71 0.00 -1.26 -4.68 107.32 99.53 1shy s GLY 391 Ca 0.65 -0.01 0.27 0.00 0.00 0.00 0.00 44.72 45.63 1shy s GLY 391 CO 0.47 0.48 1.97 -2.55 0.00 0.00 0.00 173.10 173.47 1shy h PRO 392 N -1.64 0.00 0.00 2.90 0.11 -1.92 -3.44 132.00 128.01 1shy h PRO 392 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1shy h PRO 392 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1shy h PRO 392 CO 0.53 0.15 -0.02 0.09 -0.21 0.00 0.00 178.00 178.55 1shy n ASN 393 N -3.46 1.27 -1.06 -2.05 5.03 -1.26 -4.95 115.26 108.78 1shy n ASN 393 Ca -0.01 -1.11 0.14 0.00 0.87 0.00 0.00 54.58 54.47 1shy n ASN 393 Cb 0.32 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.03 1shy n ASN 393 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1shy n HIS 394 N -0.49 -2.75 -0.56 3.10 8.25 -1.26 -4.80 115.22 116.71 1shy n HIS 394 Ca -0.00 1.43 -0.25 0.00 -0.26 0.00 0.00 57.72 58.63 1shy n HIS 394 Cb 0.04 -2.49 0.17 0.00 1.12 0.00 0.00 29.99 28.82 1shy n HIS 394 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1shy n GLU 395 N -3.75 -2.21 0.00 -0.41 -0.58 -1.26 -3.23 120.64 109.20 1shy n GLU 395 Ca -0.02 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.07 1shy n GLU 395 Cb 0.49 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1shy n GLU 395 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1shy n HIS 396 N -4.53 0.00 0.16 -0.32 8.25 -1.26 -4.38 115.22 113.14 1shy n HIS 396 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 1shy n HIS 396 Cb 0.49 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.78 1shy n HIS 396 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1shy n PHE 398 N -3.41 3.15 0.00 0.00 3.01 -1.24 -4.92 117.46 114.05 1shy n PHE 398 Ca 0.01 -2.66 0.00 0.00 1.01 0.00 0.00 57.45 55.81 1shy n PHE 398 Cb 0.63 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1shy n PHE 398 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1shy n ASN 399 N -0.55 0.00 -1.99 4.37 3.02 -1.18 -5.00 115.26 113.92 1shy n ASN 399 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1shy n ASN 399 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1shy n ASN 399 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1shy n ARG 400 N 0.00 -4.27 0.00 3.52 5.12 -1.26 -5.09 116.66 114.68 1shy n ARG 400 Ca 0.00 3.01 0.00 0.00 -1.93 0.00 0.00 57.85 58.93 1shy n ARG 400 Cb 0.00 -3.43 0.00 0.00 -1.16 0.00 0.00 32.46 27.87 1shy n ARG 400 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1shy n ASP 414 N 1.87 0.00 -0.13 0.55 -0.08 0.24 -5.21 116.55 113.79 1shy n ASP 414 Ca 0.00 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.02 1shy n ASP 414 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1shy n ASP 414 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1shy n GLU 415 N 0.00 0.61 -4.04 -0.67 -0.58 -1.26 -4.89 120.64 109.81 1shy n GLU 415 Ca 0.00 0.25 -0.25 0.00 -0.42 0.00 0.00 57.16 56.74 1shy n GLU 415 Cb 0.00 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.31 1shy n GLU 415 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1shy s TYR 416 N -2.50 3.25 -0.24 -0.32 1.51 -1.26 -5.11 117.35 112.68 1shy s TYR 416 Ca -0.37 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1shy s TYR 416 Cb 0.13 -1.54 0.07 0.00 -0.11 0.00 0.00 41.96 40.51 1shy s TYR 416 CO 0.53 0.51 0.02 1.03 -1.11 0.00 0.00 175.55 176.54 1shy s ARG 417 N -3.29 0.99 -0.24 -0.62 3.00 -1.26 -4.46 118.95 113.06 1shy s ARG 417 Ca 0.32 -0.80 -0.06 0.00 0.00 0.00 0.00 55.73 55.19 1shy s ARG 417 Cb -0.10 -2.26 -0.02 0.00 0.00 0.00 0.00 34.95 32.57 1shy s ARG 417 CO 0.25 -0.72 0.02 0.95 0.00 0.00 0.00 175.30 175.80 1shy s THR 418 N 1.63 3.88 0.44 0.02 -4.23 -1.02 -2.15 115.64 114.21 1shy s THR 418 Ca 0.01 -0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 1shy s THR 418 Cb -0.18 -2.81 -0.07 0.00 1.34 0.00 0.00 72.50 70.78 1shy s THR 418 CO -0.12 0.36 0.85 -0.70 -0.54 0.00 0.00 174.62 174.47 1shy s GLU 419 N 1.55 3.86 0.07 3.99 2.12 -1.23 -2.01 118.70 127.04 1shy s GLU 419 Ca 0.06 0.67 0.06 0.00 0.36 0.00 0.00 54.97 56.12 1shy s GLU 419 Cb -0.15 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1shy s GLU 419 CO 0.01 -0.11 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.46 1shy s PHE 420 N -2.44 2.77 -0.20 5.30 0.40 -0.95 -1.67 117.98 121.19 1shy s PHE 420 Ca 0.54 -0.13 0.22 0.00 -0.60 0.00 0.00 56.93 56.96 1shy s PHE 420 Cb -0.10 -1.49 -0.12 0.00 0.51 0.00 0.00 43.02 41.82 1shy s PHE 420 CO 0.30 0.39 0.83 0.25 0.70 0.00 0.00 175.22 177.69 1shy n THR 421 N 1.05 0.34 -4.62 0.64 -2.24 -1.26 -4.63 114.28 103.55 1shy n THR 421 Ca -0.14 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.89 1shy n THR 421 Cb 0.52 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 1shy n THR 421 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1shy s THR 422 N -3.40 1.69 0.64 4.28 -4.23 -1.26 -5.06 115.64 108.29 1shy s THR 422 Ca -0.03 -1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1shy s THR 422 Cb 0.12 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 1shy s THR 422 CO 0.84 0.19 1.05 0.00 -0.54 0.00 0.00 174.62 176.15 1shy s ALA 423 N -0.83 3.04 -0.37 3.99 0.00 -1.26 -4.54 121.76 121.80 1shy s ALA 423 Ca 0.07 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 1shy s ALA 423 Cb -0.09 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1shy s ALA 423 CO 0.02 -0.81 0.41 -1.17 0.00 0.00 0.00 175.76 174.21 1shy s LEU 424 N -5.23 4.55 0.04 0.00 0.20 -0.94 -4.93 118.68 112.36 1shy s LEU 424 Ca 0.56 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.06 1shy s LEU 424 Cb -0.11 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1shy s LEU 424 CO 0.53 -0.44 0.12 0.00 -0.29 0.00 0.00 176.35 176.28 1shy s GLN 425 N 2.13 3.14 0.08 1.98 -2.07 -1.26 -2.31 119.66 121.35 1shy s GLN 425 Ca 0.13 -0.53 -0.08 0.00 -1.82 0.00 0.00 55.36 53.06 1shy s GLN 425 Cb -0.16 -2.89 -0.00 0.00 -1.09 0.00 0.00 33.01 28.87 1shy s GLN 425 CO 0.13 0.61 0.17 1.03 -1.32 0.00 0.00 175.29 175.91 1shy s ARG 426 N -2.19 0.81 0.17 9.60 1.81 -0.90 -4.98 118.95 123.26 1shy s ARG 426 Ca 0.29 -0.95 -0.00 0.00 -1.72 0.00 0.00 55.73 53.35 1shy s ARG 426 Cb -0.12 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 1shy s ARG 426 CO 0.21 -0.25 0.34 0.14 -0.68 0.00 0.00 175.30 175.07 1shy s VAL 427 N -3.72 5.25 0.18 3.52 -7.23 -1.26 -2.47 120.40 114.67 1shy s VAL 427 Ca 0.04 -0.39 -0.33 0.00 -1.81 0.00 0.00 61.98 59.49 1shy s VAL 427 Cb 0.04 -3.71 -0.15 0.00 0.56 0.00 0.00 36.38 33.13 1shy s VAL 427 CO -0.10 -0.09 1.38 -0.67 -0.31 0.00 0.00 175.10 175.31 1shy n ASP 428 N -0.43 2.34 -0.00 4.85 -0.08 0.08 -4.65 116.55 118.66 1shy n ASP 428 Ca -0.05 1.13 0.12 0.00 -1.51 0.00 0.00 54.79 54.47 1shy n ASP 428 Cb 0.53 -1.34 0.22 0.00 2.34 0.00 0.00 41.12 42.87 1shy n ASP 428 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1shy n LEU 429 N 2.46 0.55 -0.00 -2.67 4.77 -0.42 -3.66 117.00 118.03 1shy n LEU 429 Ca 0.15 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1shy n LEU 429 Cb 0.27 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1shy n LEU 429 CO 0.62 0.14 -0.22 0.49 -1.33 0.00 0.00 177.39 177.09 1shy n PHE 430 N -1.49 0.00 -2.40 -1.77 0.99 -1.26 -4.44 117.46 107.09 1shy n PHE 430 Ca 0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.31 1shy n PHE 430 Cb 0.33 -0.12 -0.01 0.00 -1.00 0.00 0.00 39.48 38.69 1shy n PHE 430 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1shy n MET 431 N -1.67 -1.74 -0.10 -1.08 2.81 -1.24 -1.79 117.12 112.32 1shy n MET 431 Ca 0.02 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 1shy n MET 431 Cb 0.38 -5.47 0.00 0.00 -0.71 0.00 0.00 33.22 27.41 1shy n MET 431 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1shy n GLY 432 N -1.05 0.66 0.49 3.03 0.00 -1.26 -4.91 105.19 102.15 1shy n GLY 432 Ca -0.22 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.04 1shy n GLY 432 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1shy n GLN 433 N -2.00 0.02 -0.72 1.61 0.00 -0.74 -0.38 117.38 115.17 1shy n GLN 433 Ca 0.00 1.00 0.05 0.00 -0.00 0.00 0.00 57.00 58.05 1shy n GLN 433 Cb 0.00 -2.51 0.09 0.00 0.00 0.00 0.00 30.24 27.83 1shy n GLN 433 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1shy n PHE 434 N -3.10 0.00 1.50 3.69 3.01 -1.26 -4.84 117.46 116.47 1shy n PHE 434 Ca 0.19 -0.77 0.02 0.00 1.01 0.00 0.00 57.45 57.90 1shy n PHE 434 Cb 1.43 -0.16 0.06 0.00 -0.01 0.00 0.00 39.48 40.80 1shy n PHE 434 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1shy n SER 435 N -0.48 0.79 0.00 4.37 3.41 0.49 -1.98 113.62 120.23 1shy n SER 435 Ca 0.10 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1shy n SER 435 Cb 0.81 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1shy n SER 435 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1shy n GLU 436 N -0.11 1.16 -4.42 4.33 1.02 -1.25 -4.37 120.64 116.99 1shy n GLU 436 Ca 0.04 -0.27 -0.22 0.00 -0.02 0.00 0.00 57.16 56.70 1shy n GLU 436 Cb 0.14 -0.73 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 1shy n GLU 436 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1shy s VAL 437 N -0.24 2.19 -0.72 2.62 -7.23 -0.61 -4.69 120.40 111.72 1shy s VAL 437 Ca 0.00 -2.30 -0.13 0.00 -1.81 0.00 0.00 61.98 57.74 1shy s VAL 437 Cb 0.00 -2.18 0.19 0.00 0.56 0.00 0.00 36.38 34.94 1shy s VAL 437 CO 0.00 -0.45 0.64 -0.22 -0.31 0.00 0.00 175.10 174.77 1shy s LEU 438 N -3.36 6.40 0.10 1.32 0.20 -1.26 -1.99 118.68 120.09 1shy s LEU 438 Ca 0.26 -2.47 -0.31 0.00 0.69 0.00 0.00 54.13 52.31 1shy s LEU 438 Cb -0.04 -2.16 -0.09 0.00 -0.43 0.00 0.00 46.19 43.48 1shy s LEU 438 CO 0.12 -0.62 1.64 -0.76 -0.29 0.00 0.00 176.35 176.44 1shy s LEU 439 N 0.52 4.37 0.00 -0.68 1.43 -1.26 -2.09 118.68 120.97 1shy s LEU 439 Ca 0.14 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1shy s LEU 439 Cb -0.17 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1shy s LEU 439 CO -0.05 -0.88 0.27 0.35 0.23 0.00 0.00 176.35 176.27 1shy n THR 440 N 4.50 0.00 -3.65 5.49 -2.24 0.12 -4.81 114.28 113.69 1shy n THR 440 Ca 0.15 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1shy n THR 440 Cb 0.40 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 1shy n THR 440 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1shy s SER 441 N -0.32 -0.80 0.07 3.42 0.15 -1.15 -3.46 113.70 111.60 1shy s SER 441 Ca 0.00 1.35 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1shy s SER 441 Cb 0.00 1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 65.55 1shy s SER 441 CO 0.00 -0.23 -0.10 -0.51 1.20 0.00 0.00 173.24 173.60 1shy s ILE 442 N 1.20 0.83 0.18 6.45 2.07 -1.26 -1.15 121.20 129.52 1shy s ILE 442 Ca -0.07 -1.30 -0.18 0.00 -1.41 0.00 0.00 60.65 57.69 1shy s ILE 442 Cb -0.05 -0.96 0.03 0.00 0.13 0.00 0.00 42.46 41.61 1shy s ILE 442 CO -0.12 -0.38 0.51 -0.55 -1.91 0.00 0.00 174.94 172.48 1shy s SER 443 N -1.86 -0.28 -0.10 4.50 0.15 -0.92 -4.30 113.70 110.88 1shy s SER 443 Ca -0.03 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.09 1shy s SER 443 Cb -0.08 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1shy s SER 443 CO 0.01 -1.01 0.30 -0.89 1.20 0.00 0.00 173.24 172.85 1shy s THR 444 N -3.85 0.01 0.14 6.45 2.01 -1.26 0.07 115.64 119.21 1shy s THR 444 Ca 0.07 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 1shy s THR 444 Cb -0.00 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.07 1shy s THR 444 CO -0.05 -0.03 0.36 0.72 -0.69 0.00 0.00 174.62 174.93 1shy s PHE 445 N -0.00 0.02 -0.16 4.92 -0.12 0.60 -4.95 117.98 118.28 1shy s PHE 445 Ca -0.02 -0.38 -0.09 0.00 -0.05 0.00 0.00 56.93 56.40 1shy s PHE 445 Cb -0.03 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1shy s PHE 445 CO 0.01 -0.72 0.14 0.42 -0.05 0.00 0.00 175.22 175.01 1shy s ILE 446 N -3.87 5.45 -0.23 -4.49 1.01 -1.26 0.16 121.20 117.97 1shy s ILE 446 Ca 0.08 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1shy s ILE 446 Cb 0.02 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.11 1shy s ILE 446 CO -0.07 0.52 -0.06 -0.54 0.00 0.00 0.00 174.94 174.79 1shy s LYS 447 N -0.25 1.68 2.10 2.79 -0.14 0.37 -4.96 119.74 121.32 1shy s LYS 447 Ca 0.11 -1.00 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1shy s LYS 447 Cb -0.12 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1shy s LYS 447 CO 0.01 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.42 1shy n GLY 448 N 4.66 0.44 0.00 -3.33 0.00 -1.26 0.77 105.19 106.48 1shy n GLY 448 Ca -0.12 0.72 0.10 0.00 0.00 0.00 0.00 46.02 46.72 1shy n GLY 448 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1shy n ASP 449 N 5.48 0.78 -4.83 1.61 9.92 -1.26 -4.51 116.55 123.74 1shy n ASP 449 Ca 0.00 -0.74 -0.36 0.00 -0.53 0.00 0.00 54.79 53.16 1shy n ASP 449 Cb 0.00 1.23 -0.06 0.00 -0.64 0.00 0.00 41.12 41.65 1shy n ASP 449 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1shy s LEU 450 N -3.32 4.35 -0.20 0.64 1.43 0.23 -2.20 118.68 119.62 1shy s LEU 450 Ca 0.04 1.27 -0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1shy s LEU 450 Cb 0.15 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 1shy s LEU 450 CO 0.85 0.07 -0.01 -0.89 0.23 0.00 0.00 176.35 176.60 1shy s THR 451 N -1.48 3.84 -0.18 5.49 2.01 -1.26 -0.48 115.64 123.58 1shy s THR 451 Ca 0.40 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1shy s THR 451 Cb -0.16 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1shy s THR 451 CO 0.20 0.43 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.75 1shy s ILE 452 N 1.03 2.30 0.26 1.82 1.01 0.42 -0.31 121.20 127.74 1shy s ILE 452 Ca 0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1shy s ILE 452 Cb -0.14 -1.97 -0.09 0.00 0.01 0.00 0.00 42.46 40.26 1shy s ILE 452 CO 0.01 0.52 1.02 0.00 0.00 0.00 0.00 174.94 176.50 1shy s ALA 453 N 1.18 3.37 -0.35 9.38 0.00 0.16 -0.29 121.76 135.21 1shy s ALA 453 Ca 0.02 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1shy s ALA 453 Cb -0.14 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1shy s ALA 453 CO -0.08 0.01 0.14 -0.80 0.00 0.00 0.00 175.76 175.03 1shy s ASN 454 N -1.03 5.47 0.16 0.00 0.01 0.11 -1.55 114.94 118.10 1shy s ASN 454 Ca 0.43 -0.99 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 1shy s ASN 454 Cb -0.29 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1shy s ASN 454 CO 0.37 -0.32 0.07 -0.76 -1.51 0.00 0.00 177.10 174.94 1shy s LEU 455 N 1.49 3.58 0.03 0.60 1.43 0.76 -2.17 118.68 124.40 1shy s LEU 455 Ca 0.01 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1shy s LEU 455 Cb -0.19 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1shy s LEU 455 CO 0.04 0.09 -0.01 -0.83 0.23 0.00 0.00 176.35 175.87 1shy s GLY 456 N -2.95 0.30 0.04 -3.19 0.00 -0.30 -1.10 107.32 100.12 1shy s GLY 456 Ca 0.29 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1shy s GLY 456 CO 0.21 -0.87 -0.05 -1.59 0.00 0.00 0.00 173.10 170.80 1shy s THR 457 N -2.37 0.34 0.48 0.90 2.01 -0.88 0.12 115.64 116.24 1shy s THR 457 Ca -0.07 -1.30 0.24 0.00 0.31 0.00 0.00 61.69 60.87 1shy s THR 457 Cb -0.03 -0.83 0.28 0.00 0.01 0.00 0.00 72.50 71.93 1shy s THR 457 CO -0.04 -0.63 2.11 0.77 -0.69 0.00 0.00 174.62 176.14 1shy h SER 458 N 4.05 0.00 1.19 3.53 4.64 -1.76 -1.56 113.55 123.64 1shy h SER 458 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1shy h SER 458 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1shy h SER 458 CO 0.50 0.09 0.00 1.21 -0.87 0.00 0.00 176.83 177.76 1shy n GLU 459 N -3.96 0.18 0.00 4.77 2.13 -1.26 -3.95 120.64 118.55 1shy n GLU 459 Ca -0.02 0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1shy n GLU 459 Cb 0.18 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1shy n GLU 459 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1shy n GLY 460 N 1.08 0.72 3.72 8.31 0.00 -0.64 -4.78 105.19 113.59 1shy n GLY 460 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1shy n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shy s ARG 461 N -0.64 4.62 -0.12 1.61 1.81 -1.26 -0.99 118.95 123.99 1shy s ARG 461 Ca 0.00 1.42 -0.01 0.00 -1.72 0.00 0.00 55.73 55.42 1shy s ARG 461 Cb 0.00 -3.42 -0.02 0.00 -0.45 0.00 0.00 34.95 31.05 1shy s ARG 461 CO 0.00 0.07 -0.07 0.12 -0.68 0.00 0.00 175.30 174.74 1shy s PHE 462 N 0.55 2.94 -0.16 -0.53 5.36 0.39 -2.07 117.98 124.45 1shy s PHE 462 Ca 0.49 -0.28 -0.14 0.00 -0.96 0.00 0.00 56.93 56.05 1shy s PHE 462 Cb -0.22 -1.84 0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1shy s PHE 462 CO 0.29 0.04 0.43 0.00 -1.46 0.00 0.00 175.22 174.52 1shy s MET 463 N -0.04 0.48 -0.29 10.12 0.23 -0.26 -2.32 119.30 127.21 1shy s MET 463 Ca -0.00 0.64 -0.15 0.00 -1.03 0.00 0.00 55.69 55.15 1shy s MET 463 Cb -0.13 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.32 1shy s MET 463 CO 0.03 -0.08 0.39 -0.65 -2.03 0.00 0.00 175.02 172.68 1shy s GLN 464 N 0.50 3.88 0.22 3.16 -0.21 -0.70 -0.17 119.66 126.34 1shy s GLN 464 Ca -0.02 -0.06 0.10 0.00 0.02 0.00 0.00 55.36 55.40 1shy s GLN 464 Cb -0.04 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1shy s GLN 464 CO -0.03 -0.38 -0.15 0.08 -2.12 0.00 0.00 175.29 172.70 1shy s VAL 465 N 2.11 2.82 -0.09 1.09 1.01 -0.60 -2.00 120.40 124.74 1shy s VAL 465 Ca 0.15 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 1shy s VAL 465 Cb -0.16 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1shy s VAL 465 CO 0.11 -0.23 0.42 -0.69 0.00 0.00 0.00 175.10 174.71 1shy s VAL 466 N -2.01 5.17 -0.17 2.92 1.01 -1.26 -0.66 120.40 125.40 1shy s VAL 466 Ca 0.26 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 1shy s VAL 466 Cb -0.07 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1shy s VAL 466 CO 0.14 0.40 0.60 -0.69 0.00 0.00 0.00 175.10 175.55 1shy s VAL 467 N 0.15 5.07 -0.14 2.92 1.01 0.57 -4.63 120.40 125.35 1shy s VAL 467 Ca 0.24 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 1shy s VAL 467 Cb -0.15 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1shy s VAL 467 CO 0.10 0.18 0.84 -0.55 0.00 0.00 0.00 175.10 175.67 1shy s SER 468 N 1.04 -0.54 -0.09 3.32 0.15 -1.26 -4.60 113.70 111.73 1shy s SER 468 Ca 0.29 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 1shy s SER 468 Cb -0.16 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1shy s SER 468 CO 0.11 -0.42 -0.03 0.03 1.20 0.00 0.00 173.24 174.13 1shy h ARG 469 N 3.18 0.00 -6.03 5.44 2.47 -1.96 -3.43 114.38 114.05 1shy h ARG 469 Ca -0.24 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.00 1shy h ARG 469 Cb 1.15 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.42 1shy h ARG 469 CO 0.29 0.00 1.19 0.45 0.56 0.00 0.00 179.97 182.46 1shy s SER 470 N -5.21 5.55 0.00 7.04 0.15 -1.26 -4.54 113.70 115.44 1shy s SER 470 Ca -0.02 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1shy s SER 470 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1shy s SER 470 CO 0.03 -2.25 0.00 0.61 1.20 0.00 0.00 173.24 172.84 1shy n GLY 471 N 5.92 3.06 2.79 9.45 0.00 -1.26 -4.99 105.19 120.16 1shy n GLY 471 Ca 0.21 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1shy n GLY 471 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shy n PRO 472 N 0.50 3.13 -1.66 1.61 -0.04 -1.26 -4.53 135.00 132.74 1shy n PRO 472 Ca 0.00 -3.47 -0.39 0.00 -0.04 0.00 0.00 63.50 59.59 1shy n PRO 472 Cb 0.00 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.21 1shy n PRO 472 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1shy n SER 473 N -0.15 1.69 -4.78 3.54 7.64 -1.26 -5.02 113.62 115.28 1shy n SER 473 Ca 0.52 0.95 -0.33 0.00 1.01 0.00 0.00 58.87 61.02 1shy n SER 473 Cb 0.29 -1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 61.97 1shy n SER 473 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1shy s THR 474 N -1.35 4.75 0.27 0.44 -4.23 -1.26 -4.87 115.64 109.40 1shy s THR 474 Ca 0.69 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.53 1shy s THR 474 Cb -0.46 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 1shy s THR 474 CO 0.51 0.37 1.38 -2.84 -0.54 0.00 0.00 174.62 173.50 1shy s PRO 475 N -1.68 4.31 0.07 3.99 0.02 -1.26 -4.79 135.00 135.65 1shy s PRO 475 Ca 0.22 2.24 0.24 0.00 0.02 0.00 0.00 61.00 63.73 1shy s PRO 475 Cb -0.12 -3.11 0.36 0.00 0.02 0.00 0.00 34.50 31.66 1shy s PRO 475 CO 0.13 -0.32 1.31 -2.39 -0.33 0.00 0.00 177.00 175.40 1shy n HIS 476 N 1.85 0.33 -4.79 6.54 1.44 -0.85 -4.77 115.22 114.96 1shy n HIS 476 Ca 0.04 0.09 -0.26 0.00 -2.01 0.00 0.00 57.72 55.59 1shy n HIS 476 Cb 0.41 -0.49 -0.16 0.00 0.12 0.00 0.00 29.99 29.87 1shy n HIS 476 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1shy s VAL 477 N -3.12 1.40 -0.30 0.61 1.01 -1.18 -4.64 120.40 114.18 1shy s VAL 477 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1shy s VAL 477 Cb 0.15 -1.22 0.14 0.00 0.00 0.00 0.00 36.38 35.45 1shy s VAL 477 CO 0.72 0.41 0.67 0.21 0.00 0.00 0.00 175.10 177.12 1shy s ASN 478 N 0.27 -1.12 0.05 3.32 3.84 -1.26 -1.73 114.94 118.31 1shy s ASN 478 Ca -0.09 1.46 -0.28 0.00 0.21 0.00 0.00 52.86 54.17 1shy s ASN 478 Cb -0.13 2.25 0.10 0.00 -0.55 0.00 0.00 41.25 42.91 1shy s ASN 478 CO 0.03 -0.21 1.18 0.72 -2.79 0.00 0.00 177.10 176.03 1shy s PHE 479 N 2.86 -0.03 -0.29 0.43 -0.12 -0.98 -5.01 117.98 114.84 1shy s PHE 479 Ca -0.04 -0.16 -0.19 0.00 -0.05 0.00 0.00 56.93 56.49 1shy s PHE 479 Cb -0.12 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1shy s PHE 479 CO -0.19 -0.49 0.59 -0.51 -0.05 0.00 0.00 175.22 174.57 1shy s LEU 480 N -3.18 4.13 0.48 -1.99 2.01 -1.26 -0.46 118.68 118.40 1shy s LEU 480 Ca 0.18 0.45 0.01 0.00 0.01 0.00 0.00 54.13 54.77 1shy s LEU 480 Cb 0.02 -2.76 0.01 0.00 0.01 0.00 0.00 46.19 43.47 1shy s LEU 480 CO -0.01 -0.41 0.70 -0.76 1.01 0.00 0.00 176.35 176.88 1shy s LEU 481 N 2.49 3.53 -0.13 1.79 1.43 -0.16 -4.90 118.68 122.73 1shy s LEU 481 Ca 0.24 0.19 -0.42 0.00 -1.03 0.00 0.00 54.13 53.11 1shy s LEU 481 Cb -0.15 -3.07 -0.20 0.00 0.03 0.00 0.00 46.19 42.80 1shy s LEU 481 CO 0.11 -0.84 1.23 0.47 0.23 0.00 0.00 176.35 177.55 1shy n ASP 482 N -2.16 0.40 0.08 2.29 9.92 -1.26 -4.64 116.55 121.17 1shy n ASP 482 Ca 0.03 1.17 0.07 0.00 -0.53 0.00 0.00 54.79 55.53 1shy n ASP 482 Cb 0.58 -0.92 0.10 0.00 -0.64 0.00 0.00 41.12 40.24 1shy n ASP 482 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1shy n SER 483 N 2.24 0.00 -4.77 -2.24 3.41 -1.26 -4.44 113.62 106.56 1shy n SER 483 Ca 0.23 0.37 -0.38 0.00 -0.26 0.00 0.00 58.87 58.83 1shy n SER 483 Cb 0.05 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1shy n SER 483 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1shy s HIS 484 N -3.10 3.17 1.12 7.33 3.76 -1.26 -4.52 115.29 121.78 1shy s HIS 484 Ca -0.01 1.60 -0.16 0.00 -0.15 0.00 0.00 55.06 56.34 1shy s HIS 484 Cb 0.03 -3.27 0.15 0.00 1.11 0.00 0.00 32.58 30.60 1shy s HIS 484 CO 0.11 -0.99 0.33 -2.30 -0.85 0.00 0.00 174.74 171.04 1shy n PRO 485 N 0.03 -1.73 -3.32 8.40 -0.02 -1.25 -4.37 135.00 132.75 1shy n PRO 485 Ca 0.05 -0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 60.66 1shy n PRO 485 Cb 0.48 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1shy n PRO 485 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1shy s VAL 486 N -2.30 4.97 0.12 -1.45 1.01 -0.89 -3.52 120.40 118.34 1shy s VAL 486 Ca 0.60 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 1shy s VAL 486 Cb -0.16 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1shy s VAL 486 CO 0.66 0.46 0.58 -0.55 0.00 0.00 0.00 175.10 176.25 1shy s SER 487 N -0.40 6.95 0.48 3.32 0.15 -0.44 -4.52 113.70 119.24 1shy s SER 487 Ca 0.28 1.19 0.27 0.00 0.70 0.00 0.00 55.95 58.39 1shy s SER 487 Cb -0.17 -2.33 1.11 0.00 -1.71 0.00 0.00 66.02 62.91 1shy s SER 487 CO 0.15 0.17 1.90 1.55 1.20 0.00 0.00 173.24 178.21 1shy h PRO 488 N 3.96 0.00 -6.32 5.44 0.13 -1.89 -3.42 132.00 129.90 1shy h PRO 488 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1shy h PRO 488 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1shy h PRO 488 CO 0.65 0.15 1.09 -1.21 -0.23 0.00 0.00 178.00 178.44 1shy s GLU 489 N -3.72 3.79 0.03 0.86 0.41 -1.26 -4.77 118.70 114.03 1shy s GLU 489 Ca 0.00 1.48 -0.01 0.00 -0.41 0.00 0.00 54.97 56.03 1shy s GLU 489 Cb 0.10 -4.00 -0.02 0.00 -1.78 0.00 0.00 34.13 28.43 1shy s GLU 489 CO 0.60 -1.30 -0.01 0.14 -0.49 0.00 0.00 175.26 174.21 1shy s VAL 490 N 5.08 0.13 -0.07 2.63 -7.23 -1.26 -4.41 120.40 115.27 1shy s VAL 490 Ca 0.67 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 1shy s VAL 490 Cb -0.22 -0.53 -0.00 0.00 0.56 0.00 0.00 36.38 36.19 1shy s VAL 490 CO 0.28 -0.59 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.65 1shy s ILE 491 N -1.96 1.72 -0.10 -0.62 1.01 -1.05 -4.99 121.20 115.21 1shy s ILE 491 Ca -0.11 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1shy s ILE 491 Cb -0.06 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1shy s ILE 491 CO -0.03 0.48 -0.21 -0.69 0.00 0.00 0.00 174.94 174.50 1shy s VAL 492 N 0.15 2.39 -0.05 2.92 1.01 -1.26 -0.45 120.40 125.12 1shy s VAL 492 Ca -0.09 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1shy s VAL 492 Cb -0.14 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1shy s VAL 492 CO 0.05 0.55 0.00 -0.70 0.00 0.00 0.00 175.10 175.00 1shy s GLU 493 N 0.23 0.43 0.48 2.72 2.12 -0.54 -5.00 118.70 119.13 1shy s GLU 493 Ca -0.13 0.10 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 1shy s GLU 493 Cb -0.17 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.48 1shy s GLU 493 CO 0.07 -0.21 0.81 -1.01 -0.54 0.00 0.00 175.26 174.38 1shy s HIS 494 N 1.50 3.55 0.07 5.30 3.76 -1.26 -2.01 115.29 126.20 1shy s HIS 494 Ca -0.03 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 55.81 1shy s HIS 494 Cb -0.13 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1shy s HIS 494 CO -0.03 -0.29 -0.05 0.95 -0.85 0.00 0.00 174.74 174.47 1shy s THR 495 N -2.71 0.48 0.23 1.30 -4.23 -0.99 -4.88 115.64 104.85 1shy s THR 495 Ca 0.49 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.90 1shy s THR 495 Cb -0.10 -1.51 -0.15 0.00 1.34 0.00 0.00 72.50 72.07 1shy s THR 495 CO 0.43 -0.88 0.96 -0.11 -0.54 0.00 0.00 174.62 174.48 1shy n LEU 496 N 0.15 1.11 0.00 4.79 7.94 -1.26 -2.77 117.00 126.96 1shy n LEU 496 Ca -0.14 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 1shy n LEU 496 Cb 0.60 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1shy n LEU 496 CO 0.28 -1.68 0.00 0.59 -1.11 0.00 0.00 177.39 175.47 1shy n ASN 497 N 1.60 -2.46 -0.15 1.96 4.13 -1.26 -4.40 115.26 114.68 1shy n ASN 497 Ca 0.13 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.37 1shy n ASN 497 Cb 0.28 -0.41 -0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1shy n ASN 497 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1shy n GLN 498 N -2.82 -0.12 0.00 3.52 7.27 -1.11 -5.06 117.38 119.05 1shy n GLN 498 Ca 0.00 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.44 1shy n GLN 498 Cb 0.00 -3.95 0.00 0.00 2.41 0.00 0.00 30.24 28.70 1shy n GLN 498 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1shy n ASN 499 N 1.71 0.00 0.00 1.69 6.94 -1.22 -4.94 115.26 119.44 1shy n ASN 499 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1shy n ASN 499 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1shy n ASN 499 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1shy n GLY 500 N 5.00 0.72 3.31 4.83 0.00 -1.26 -2.35 105.19 115.43 1shy n GLY 500 Ca 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1shy n GLY 500 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1shy s TYR 501 N -1.21 -0.18 -0.06 1.61 -0.85 -0.85 -1.55 117.35 114.26 1shy s TYR 501 Ca 0.00 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.41 1shy s TYR 501 Cb 0.00 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1shy s TYR 501 CO 0.00 -0.69 -0.05 0.99 -1.52 0.00 0.00 175.55 174.28 1shy s THR 502 N -3.81 3.81 -0.20 -3.49 2.01 0.54 -1.47 115.64 113.03 1shy s THR 502 Ca 0.03 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1shy s THR 502 Cb 0.02 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1shy s THR 502 CO -0.12 0.56 0.18 -0.76 -0.69 0.00 0.00 174.62 173.79 1shy s LEU 503 N -0.95 4.20 -0.16 4.42 1.43 0.41 -1.33 118.68 126.70 1shy s LEU 503 Ca 0.14 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1shy s LEU 503 Cb -0.11 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 43.98 1shy s LEU 503 CO 0.03 0.13 0.01 -0.69 0.23 0.00 0.00 176.35 176.07 1shy s VAL 504 N 0.52 0.59 -0.02 -1.59 1.01 -0.27 -2.53 120.40 118.11 1shy s VAL 504 Ca 0.10 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1shy s VAL 504 Cb -0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1shy s VAL 504 CO 0.01 -0.05 0.73 -0.63 0.00 0.00 0.00 175.10 175.17 1shy s ILE 505 N 1.84 4.93 -0.14 2.22 1.01 -1.26 -1.63 121.20 128.18 1shy s ILE 505 Ca 0.01 1.53 -0.04 0.00 0.00 0.00 0.00 60.65 62.15 1shy s ILE 505 Cb -0.16 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.29 1shy s ILE 505 CO -0.07 0.29 0.07 -0.89 0.00 0.00 0.00 174.94 174.34 1shy s THR 506 N 0.47 0.06 0.00 2.92 2.01 0.55 -1.33 115.64 120.32 1shy s THR 506 Ca 0.38 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1shy s THR 506 Cb -0.19 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.76 1shy s THR 506 CO 0.20 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1shy n GLY 507 N 5.23 0.41 2.23 4.40 0.00 -1.23 -0.29 105.19 115.93 1shy n GLY 507 Ca -0.07 0.68 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1shy n GLY 507 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1shy n LYS 508 N 0.00 2.64 -4.16 1.61 2.85 -1.26 -2.88 118.16 116.97 1shy n LYS 508 Ca 0.00 -3.78 -0.19 0.00 -1.05 0.00 0.00 58.31 53.29 1shy n LYS 508 Cb 0.00 -1.90 -0.16 0.00 -0.65 0.00 0.00 35.03 32.32 1shy n LYS 508 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1shy s LYS 509 N -3.51 0.74 -0.14 -1.58 1.02 0.60 -1.09 119.74 115.78 1shy s LYS 509 Ca 0.41 -0.10 -0.03 0.00 0.02 0.00 0.00 55.97 56.26 1shy s LYS 509 Cb 0.37 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1shy s LYS 509 CO -0.01 -0.06 -0.05 -1.50 -0.92 0.00 0.00 175.35 172.82 1shy s ILE 510 N 0.78 3.83 0.02 2.17 2.07 0.42 -0.33 121.20 130.16 1shy s ILE 510 Ca -0.10 -0.39 0.08 0.00 -1.41 0.00 0.00 60.65 58.83 1shy s ILE 510 Cb -0.13 -2.66 -0.02 0.00 0.13 0.00 0.00 42.46 39.78 1shy s ILE 510 CO 0.00 0.51 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.41 1shy s THR 511 N 0.18 1.91 -0.95 4.00 2.01 -0.64 -2.16 115.64 119.98 1shy s THR 511 Ca -0.02 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 1shy s THR 511 Cb -0.14 -1.63 0.26 0.00 0.01 0.00 0.00 72.50 71.00 1shy s THR 511 CO 0.03 0.37 1.03 1.17 -0.69 0.00 0.00 174.62 176.53 1shy n LYS 512 N 2.03 3.29 -2.42 4.92 4.81 -1.00 -1.12 118.16 128.66 1shy n LYS 512 Ca -0.17 -4.53 -0.43 0.00 -0.87 0.00 0.00 58.31 52.32 1shy n LYS 512 Cb 0.52 -2.44 -0.02 0.00 0.02 0.00 0.00 35.03 33.11 1shy n LYS 512 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1shy s ILE 513 N -1.92 4.14 0.42 3.15 1.01 -0.44 -4.62 121.20 122.93 1shy s ILE 513 Ca 0.31 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.98 1shy s ILE 513 Cb -0.01 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 1shy s ILE 513 CO -0.04 -0.48 1.34 -0.81 0.00 0.00 0.00 174.94 174.95 1shy n PRO 514 N 7.32 2.11 0.27 2.79 -0.04 -1.26 -0.34 135.00 145.85 1shy n PRO 514 Ca 0.15 0.75 0.15 0.00 -0.04 0.00 0.00 63.50 64.50 1shy n PRO 514 Cb 0.47 -2.47 0.74 0.00 -0.04 0.00 0.00 33.50 32.20 1shy n PRO 514 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1shy h LEU 515 N 2.28 0.00 0.00 1.53 3.38 -1.61 -3.43 115.31 117.45 1shy h LEU 515 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1shy h LEU 515 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1shy h LEU 515 CO 0.61 0.09 -0.15 0.59 0.09 0.00 0.00 178.44 179.68 1shy n ASN 516 N -3.38 0.71 0.31 -0.43 3.02 -1.26 -4.84 115.26 109.40 1shy n ASN 516 Ca -0.01 0.17 0.19 0.00 -0.03 0.00 0.00 54.58 54.90 1shy n ASN 516 Cb 0.27 -0.16 1.02 0.00 -0.61 0.00 0.00 39.78 40.29 1shy n ASN 516 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1shy h GLY 517 N 0.00 0.00 1.01 7.41 0.00 -1.95 -3.36 103.07 106.17 1shy h GLY 517 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1shy h GLY 517 CO 0.00 0.00 0.46 -2.00 0.00 0.00 0.00 176.54 175.00 1shy h LEU 518 N 0.00 0.86 -0.61 3.11 5.85 -1.88 -2.90 115.31 119.74 1shy h LEU 518 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1shy h LEU 518 Cb 0.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1shy h LEU 518 CO 0.00 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 1shy n GLY 519 N -1.24 0.12 0.00 3.75 0.00 -1.26 -1.20 105.19 105.37 1shy n GLY 519 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1shy n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shy h ARG 521 N 0.00 0.00 -0.16 0.00 3.08 -1.28 -2.23 114.38 113.79 1shy h ARG 521 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1shy h ARG 521 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1shy h ARG 521 CO 0.00 0.05 0.00 -2.39 -1.07 0.00 0.00 179.97 176.56 1shy n HIS 522 N -3.39 0.21 -3.11 3.04 1.44 -1.26 -4.78 115.22 107.37 1shy n HIS 522 Ca -0.02 -0.10 -0.41 0.00 -2.01 0.00 0.00 57.72 55.17 1shy n HIS 522 Cb 0.18 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.23 1shy n HIS 522 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1shy s PHE 523 N -1.79 3.17 -2.17 -1.40 0.40 -0.84 -4.93 117.98 110.41 1shy s PHE 523 Ca 0.27 0.45 0.18 0.00 -0.60 0.00 0.00 56.93 57.22 1shy s PHE 523 Cb 0.14 -3.09 0.54 0.00 0.51 0.00 0.00 43.02 41.12 1shy s PHE 523 CO 0.21 -0.57 1.42 0.94 0.70 0.00 0.00 175.22 177.92 1shy n GLN 524 N 5.99 1.96 -3.61 0.44 -0.06 -1.26 -4.43 117.38 116.41 1shy n GLN 524 Ca -0.01 -1.46 -0.14 0.00 -2.00 0.00 0.00 57.00 53.39 1shy n GLN 524 Cb 0.49 -1.38 -0.07 0.00 -4.06 0.00 0.00 30.24 25.22 1shy n GLN 524 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1shy s SER 525 N -1.29 -0.66 0.06 1.69 1.04 -1.26 -5.08 113.70 108.20 1shy s SER 525 Ca 0.32 1.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.77 1shy s SER 525 Cb 0.17 1.16 -0.05 0.00 0.10 0.00 0.00 66.02 67.40 1shy s SER 525 CO 0.24 -0.29 1.26 0.00 0.98 0.00 0.00 173.24 175.42 1shy h SER 527 N -0.17 -1.82 -0.91 0.00 0.87 -1.98 0.18 113.55 109.72 1shy h SER 527 Ca 0.04 0.32 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 1shy h SER 527 Cb 0.27 0.86 -0.08 0.00 -0.44 0.00 0.00 62.40 63.01 1shy h SER 527 CO -0.29 -0.26 0.53 1.56 -0.53 0.00 0.00 176.83 177.84 1shy h GLN 528 N -0.01 0.81 -0.42 2.24 4.20 -1.73 -1.80 115.11 118.39 1shy h GLN 528 Ca 0.25 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1shy h GLN 528 Cb 0.50 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1shy h GLN 528 CO -0.95 0.53 0.02 0.00 -0.67 0.00 0.00 178.83 177.76 1shy n LEU 530 N -4.43 0.00 -0.65 0.00 4.77 0.12 -2.56 117.00 114.25 1shy n LEU 530 Ca -0.00 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.49 1shy n LEU 530 Cb 0.28 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1shy n LEU 530 CO 0.41 -0.27 0.42 -1.20 -1.33 0.00 0.00 177.39 175.42 1shy n SER 531 N -1.40 2.34 -4.72 -1.43 7.64 -0.38 -4.95 113.62 110.71 1shy n SER 531 Ca 0.03 -1.67 -0.32 0.00 1.01 0.00 0.00 58.87 57.92 1shy n SER 531 Cb 0.10 0.28 0.11 0.00 -1.01 0.00 0.00 64.21 63.68 1shy n SER 531 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1shy s ALA 532 N -2.16 2.00 -0.01 -0.43 0.00 -1.06 -4.92 121.76 115.18 1shy s ALA 532 Ca 0.21 0.63 -0.35 0.00 0.00 0.00 0.00 51.96 52.45 1shy s ALA 532 Cb 0.18 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 1shy s ALA 532 CO 0.43 -2.05 1.68 -0.35 0.00 0.00 0.00 175.76 175.47 1shy n PRO 533 N -3.29 1.86 -0.29 0.00 -0.04 -1.26 -4.88 135.00 127.09 1shy n PRO 533 Ca 0.12 0.68 0.02 0.00 -0.04 0.00 0.00 63.50 64.28 1shy n PRO 533 Cb 0.52 -2.44 0.16 0.00 -0.04 0.00 0.00 33.50 31.69 1shy n PRO 533 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1shy h PRO 534 N 7.10 0.80 -0.84 0.54 0.13 -1.97 -2.26 132.00 135.50 1shy h PRO 534 Ca -0.47 -0.05 0.17 0.00 -0.87 0.00 0.00 66.00 64.78 1shy h PRO 534 Cb 1.28 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1shy h PRO 534 CO 0.90 0.53 0.55 0.27 -0.23 0.00 0.00 178.00 180.03 1shy h PHE 535 N 0.83 0.57 0.00 1.56 -5.15 -2.02 0.11 116.94 112.83 1shy h PHE 535 Ca 0.39 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 58.16 1shy h PHE 535 Cb 0.31 -0.18 -0.00 0.00 0.22 0.00 0.00 35.95 36.30 1shy h PHE 535 CO -0.05 0.19 -0.06 0.28 -2.00 0.00 0.00 178.31 176.67 1shy h VAL 536 N 0.47 0.36 -5.96 0.88 2.07 -1.79 -3.47 116.25 108.82 1shy h VAL 536 Ca 0.42 -0.32 -0.38 0.00 0.82 0.00 0.00 66.70 67.24 1shy h VAL 536 Cb 0.94 1.23 0.10 0.00 -1.52 0.00 0.00 31.29 32.04 1shy h VAL 536 CO -0.16 0.06 -0.86 0.00 0.02 0.00 0.00 177.57 176.63 1shy n GLN 537 N -3.48 -3.71 -2.38 1.57 6.02 0.38 -4.90 117.38 110.88 1shy n GLN 537 Ca -0.02 0.65 -0.29 0.00 -0.01 0.00 0.00 57.00 57.33 1shy n GLN 537 Cb 0.18 -5.12 -0.00 0.00 1.02 0.00 0.00 30.24 26.32 1shy n GLN 537 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1shy s GLY 539 N -4.04 1.18 -0.38 0.00 0.00 0.17 -4.77 107.32 99.48 1shy s GLY 539 Ca 0.51 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 1shy s GLY 539 CO 0.47 -0.96 0.25 0.86 0.00 0.00 0.00 173.10 173.71 1shy s TRP 540 N -3.60 3.23 -1.11 1.90 -0.11 -0.81 -1.50 118.94 116.95 1shy s TRP 540 Ca 0.30 -0.62 -0.07 0.00 1.22 0.00 0.00 56.10 56.93 1shy s TRP 540 Cb 0.01 -2.50 0.29 0.00 -1.50 0.00 0.00 33.47 29.76 1shy s TRP 540 CO 0.15 -0.55 1.25 0.00 -4.62 0.00 0.00 176.95 173.18 1shy n HIS 542 N 2.27 0.00 0.00 0.00 -0.00 -1.26 -2.32 115.22 113.92 1shy n HIS 542 Ca 0.25 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.43 1shy n HIS 542 Cb 0.37 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 1shy n HIS 542 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1shy n ASP 543 N 0.74 2.64 -4.66 0.26 3.85 -1.26 -5.05 116.55 113.07 1shy n ASP 543 Ca 0.00 -0.06 -0.26 0.00 -0.71 0.00 0.00 54.79 53.76 1shy n ASP 543 Cb 0.00 0.65 -0.09 0.00 -1.35 0.00 0.00 41.12 40.33 1shy n ASP 543 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1shy s LYS 544 N -1.18 2.09 -0.13 0.11 -2.85 -0.98 -4.93 119.74 111.86 1shy s LYS 544 Ca 0.00 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 53.09 1shy s LYS 544 Cb 0.00 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.90 1shy s LYS 544 CO 0.00 -0.00 -0.15 0.00 0.10 0.00 0.00 175.35 175.30 1shy s VAL 546 N 0.50 0.00 0.51 0.00 0.11 -0.56 -3.97 120.40 116.99 1shy s VAL 546 Ca -0.10 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.57 1shy s VAL 546 Cb -0.16 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 32.85 1shy s VAL 546 CO 0.04 0.00 0.93 0.00 -3.33 0.00 0.00 175.10 172.74 1shy s ARG 547 N -2.60 3.79 0.13 1.54 1.70 -1.26 0.46 118.95 122.71 1shy s ARG 547 Ca 0.13 0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 55.88 1shy s ARG 547 Cb 0.03 -2.21 -0.03 0.00 -0.57 0.00 0.00 34.95 32.17 1shy s ARG 547 CO -0.03 -0.27 1.67 0.66 -1.08 0.00 0.00 175.30 176.24 1shy h SER 548 N 0.67 -0.48 -1.07 -2.89 4.64 -1.95 -0.69 113.55 111.78 1shy h SER 548 Ca -0.46 0.08 0.28 0.00 -0.47 0.00 0.00 61.79 61.23 1shy h SER 548 Cb 1.19 0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 63.41 1shy h SER 548 CO 0.62 -0.20 0.70 1.05 -0.87 0.00 0.00 176.83 178.12 1shy h GLU 549 N -0.21 0.32 -0.68 4.77 9.09 -1.98 0.17 114.58 126.07 1shy h GLU 549 Ca 0.09 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.48 1shy h GLU 549 Cb 0.33 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1shy h GLU 549 CO -0.23 0.21 0.00 -1.91 0.05 0.00 0.00 179.01 177.14 1shy n GLU 550 N -4.59 2.97 -4.03 1.06 2.13 -0.27 -4.85 120.64 113.06 1shy n GLU 550 Ca 0.26 -1.76 -0.34 0.00 0.66 0.00 0.00 57.16 55.98 1shy n GLU 550 Cb 0.95 -1.80 -0.15 0.00 0.27 0.00 0.00 31.44 30.71 1shy n GLU 550 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1shy n LEU 552 N 4.68 0.00 0.00 0.00 4.32 -1.26 -4.90 117.00 119.85 1shy n LEU 552 Ca -0.20 0.58 -0.24 0.00 -0.02 0.00 0.00 56.01 56.14 1shy n LEU 552 Cb 0.50 -0.08 0.19 0.00 -1.62 0.00 0.00 43.42 42.42 1shy n LEU 552 CO 0.27 -0.08 0.51 -1.54 -1.22 0.00 0.00 177.39 175.33 1shy n SER 553 N -1.02 -1.64 0.00 -1.43 3.41 -1.26 -4.95 113.62 106.72 1shy n SER 553 Ca 0.00 -1.07 0.13 0.00 -0.26 0.00 0.00 58.87 57.67 1shy n SER 553 Cb 0.00 -0.80 0.59 0.00 -0.26 0.00 0.00 64.21 63.74 1shy n SER 553 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1shy n GLY 554 N -3.11 -1.36 3.93 5.00 0.00 -1.26 -4.81 105.19 103.58 1shy n GLY 554 Ca 0.12 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1shy n GLY 554 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1shy s THR 555 N -2.90 5.05 0.00 2.61 -1.32 -1.26 -5.07 115.64 112.75 1shy s THR 555 Ca 0.16 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1shy s THR 555 Cb 0.17 -3.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1shy s THR 555 CO 0.47 -0.54 0.00 1.87 -2.21 0.00 0.00 174.62 174.20 1shy n TRP 556 N -1.63 0.00 -4.40 9.09 -0.00 -1.25 -4.76 117.44 114.48 1shy n TRP 556 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.27 1shy n TRP 556 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.77 1shy n TRP 556 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1shy s THR 557 N 0.00 0.73 -0.07 5.87 -4.23 -1.23 -4.91 115.64 111.80 1shy s THR 557 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1shy s THR 557 Cb 0.00 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.60 1shy s THR 557 CO 0.00 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.24 1shy n GLN 558 N -0.65 0.52 0.00 3.99 6.02 -1.26 -1.92 117.38 124.08 1shy n GLN 558 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 57.00 54.69 1shy n GLN 558 Cb 0.66 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.32 1shy n GLN 558 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1shy n GLN 559 N -0.12 0.50 -4.79 -1.09 6.02 -1.26 -4.97 117.38 111.66 1shy n GLN 559 Ca 0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.80 1shy n GLN 559 Cb 0.94 -0.19 -0.17 0.00 1.02 0.00 0.00 30.24 31.84 1shy n GLN 559 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1shy s ILE 560 N -0.78 1.58 -0.16 5.09 1.09 -1.26 -5.11 121.20 121.64 1shy s ILE 560 Ca 0.00 -0.73 -0.00 0.00 -1.10 0.00 0.00 60.65 58.82 1shy s ILE 560 Cb 0.00 -1.40 -0.00 0.00 -1.06 0.00 0.00 42.46 40.00 1shy s ILE 560 CO 0.00 0.45 -0.15 0.00 -0.10 0.00 0.00 174.94 175.15 1shy s LEU 562 N 0.84 3.83 -0.71 0.00 1.43 -1.26 -4.92 118.68 117.89 1shy s LEU 562 Ca -0.05 1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.90 1shy s LEU 562 Cb -0.15 -3.98 -0.14 0.00 0.03 0.00 0.00 46.19 41.95 1shy s LEU 562 CO -0.00 -0.40 2.42 -2.65 0.23 0.00 0.00 176.35 175.94 1shy n PRO 563 N -1.34 0.66 0.00 1.29 -0.02 -1.26 -5.14 135.00 129.19 1shy n PRO 563 Ca 0.02 -0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.24 1shy n PRO 563 Cb 0.54 -3.22 0.25 0.00 -0.02 0.00 0.00 33.50 31.05 1shy n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48