#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxl s THR 2 N 0.00 4.79 0.05 0.00 2.01 0.06 -4.92 115.64 117.63 1uxl s THR 2 Ca 0.00 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1uxl s THR 2 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1uxl s THR 2 CO 0.00 0.51 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.79 1uxl s LYS 3 N -0.80 0.72 0.20 4.92 1.02 -1.26 -0.42 119.74 124.11 1uxl s LYS 3 Ca 0.30 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 1uxl s LYS 3 Cb -0.19 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 1uxl s LYS 3 CO 0.18 0.14 0.18 0.00 -0.92 0.00 0.00 175.35 174.93 1uxl s ALA 4 N -1.14 0.90 0.06 5.17 0.00 -0.30 -1.29 121.76 125.17 1uxl s ALA 4 Ca -0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.24 1uxl s ALA 4 Cb -0.09 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.33 1uxl s ALA 4 CO 0.01 -0.62 0.33 0.54 0.00 0.00 0.00 175.76 176.02 1uxl s VAL 5 N -4.12 0.08 -0.09 0.00 0.11 0.26 -0.85 120.40 115.78 1uxl s VAL 5 Ca 0.34 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1uxl s VAL 5 Cb 0.06 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1uxl s VAL 5 CO 0.10 -0.37 0.20 0.00 -3.33 0.00 0.00 175.10 171.70 1uxl s VAL 7 N 1.26 5.29 -0.15 0.00 1.01 -1.26 -1.03 120.40 125.52 1uxl s VAL 7 Ca -0.09 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1uxl s VAL 7 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1uxl s VAL 7 CO -0.07 0.16 0.36 -0.76 0.00 0.00 0.00 175.10 174.78 1uxl s LEU 8 N 1.79 4.25 0.04 3.92 1.43 0.16 -3.89 118.68 126.38 1uxl s LEU 8 Ca 0.08 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1uxl s LEU 8 Cb -0.16 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1uxl s LEU 8 CO 0.11 0.06 0.13 -0.54 0.23 0.00 0.00 176.35 176.34 1uxl s LYS 9 N 0.54 0.65 0.00 1.70 -0.14 -0.47 -2.13 119.74 119.88 1uxl s LYS 9 Ca 0.20 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1uxl s LYS 9 Cb -0.14 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1uxl s LYS 9 CO 0.06 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 174.89 1uxl n GLY 10 N 0.64 3.52 0.12 -3.33 0.00 -1.25 -1.15 105.19 103.75 1uxl n GLY 10 Ca -0.18 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 44.96 1uxl n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxl h ASP 11 N 0.00 0.00 -0.79 1.61 3.32 -1.91 -3.47 116.42 115.18 1uxl h ASP 11 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1uxl h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxl h ASP 11 CO 0.00 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1uxl n GLY 12 N 1.22 3.45 0.24 2.75 0.00 -1.26 -5.02 105.19 106.56 1uxl n GLY 12 Ca 0.02 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.24 1uxl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 13 N 0.00 1.31 -2.45 1.61 -0.04 -1.26 -4.88 135.00 129.29 1uxl n PRO 13 Ca 0.00 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 1uxl n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1uxl n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxl s VAL 14 N -2.03 4.25 0.02 0.52 1.01 -1.26 -4.30 120.40 118.61 1uxl s VAL 14 Ca 0.42 1.57 -0.18 0.00 0.00 0.00 0.00 61.98 63.79 1uxl s VAL 14 Cb 0.21 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1uxl s VAL 14 CO 0.36 -0.02 0.39 0.00 0.00 0.00 0.00 175.10 175.84 1uxl s GLN 15 N 2.35 0.84 0.08 2.72 -2.07 -0.84 -3.76 119.66 118.99 1uxl s GLN 15 Ca 0.56 -0.27 -0.26 0.00 -1.82 0.00 0.00 55.36 53.57 1uxl s GLN 15 Cb -0.24 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1uxl s GLN 15 CO 0.21 -0.27 1.15 0.20 -1.32 0.00 0.00 175.29 175.26 1uxl s GLY 16 N -1.73 -0.14 -0.07 2.60 0.00 -0.91 -0.41 107.32 106.67 1uxl s GLY 16 Ca -0.08 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1uxl s GLY 16 CO 0.01 2.22 -0.08 -0.42 0.00 0.00 0.00 173.10 174.82 1uxl s ILE 17 N -2.39 0.87 -0.10 0.90 1.01 -0.83 -0.67 121.20 120.00 1uxl s ILE 17 Ca 0.20 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1uxl s ILE 17 Cb 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1uxl s ILE 17 CO 0.01 0.31 -0.22 -0.63 0.00 0.00 0.00 174.94 174.41 1uxl s ILE 18 N 1.07 1.96 0.10 2.92 -1.09 -0.20 -2.27 121.20 123.69 1uxl s ILE 18 Ca -0.08 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 1uxl s ILE 18 Cb -0.14 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1uxl s ILE 18 CO -0.01 0.54 0.15 0.20 -1.23 0.00 0.00 174.94 174.59 1uxl s ASN 19 N 0.43 5.88 -0.01 3.58 -0.87 0.17 -0.88 114.94 123.24 1uxl s ASN 19 Ca -0.17 0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.23 1uxl s ASN 19 Cb -0.17 -1.67 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1uxl s ASN 19 CO 0.07 0.14 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.27 1uxl s PHE 20 N -1.53 0.98 -0.05 2.20 0.40 -0.03 -1.18 117.98 118.77 1uxl s PHE 20 Ca 0.32 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1uxl s PHE 20 Cb -0.12 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1uxl s PHE 20 CO 0.25 -0.02 0.11 -2.00 0.70 0.00 0.00 175.22 174.26 1uxl s GLU 21 N -0.23 0.09 -0.23 0.44 2.12 -0.24 -1.15 118.70 119.50 1uxl s GLU 21 Ca 0.04 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 1uxl s GLU 21 Cb -0.04 -0.07 0.08 0.00 0.26 0.00 0.00 34.13 34.35 1uxl s GLU 21 CO -0.00 -0.09 0.07 -1.14 -0.54 0.00 0.00 175.26 173.55 1uxl s GLN 22 N 0.63 0.57 0.22 4.30 0.74 0.44 -0.56 119.66 126.01 1uxl s GLN 22 Ca -0.05 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.73 1uxl s GLN 22 Cb -0.07 -1.93 0.20 0.00 1.10 0.00 0.00 33.01 32.32 1uxl s GLN 22 CO -0.03 -0.78 1.70 -0.22 -0.55 0.00 0.00 175.29 175.41 1uxl h LYS 23 N 8.24 0.93 -5.70 1.67 3.64 -1.83 0.20 116.57 123.72 1uxl h LYS 23 Ca -0.16 -0.28 -0.51 0.00 -1.27 0.00 0.00 60.65 58.43 1uxl h LYS 23 Cb 1.08 -0.09 -0.25 0.00 -0.41 0.00 0.00 32.23 32.56 1uxl h LYS 23 CO 0.38 0.92 -0.82 -1.21 -2.27 0.00 0.00 179.45 176.46 1uxl s GLU 24 N -4.99 1.14 0.56 1.90 0.41 -1.26 -4.34 118.70 112.12 1uxl s GLU 24 Ca -0.10 -0.86 0.29 0.00 -0.41 0.00 0.00 54.97 53.88 1uxl s GLU 24 Cb 0.14 -1.21 1.66 0.00 -1.78 0.00 0.00 34.13 32.94 1uxl s GLU 24 CO 0.83 0.30 2.17 0.66 -0.49 0.00 0.00 175.26 178.74 1uxl h SER 25 N 4.85 0.00 -0.35 -0.19 4.64 -1.98 -0.97 113.55 119.56 1uxl h SER 25 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1uxl h SER 25 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1uxl h SER 25 CO 0.44 0.06 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1uxl n ASN 26 N -3.72 4.27 -4.88 4.97 6.94 -1.26 -4.90 115.26 116.67 1uxl n ASN 26 Ca -0.02 -2.91 -0.26 0.00 -0.02 0.00 0.00 54.58 51.36 1uxl n ASN 26 Cb 0.16 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 37.01 1uxl n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uxl s GLY 27 N -1.58 2.40 0.80 4.83 0.00 -0.37 -5.12 107.32 108.27 1uxl s GLY 27 Ca 0.44 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1uxl s GLY 27 CO 0.12 -1.94 1.09 2.56 0.00 0.00 0.00 173.10 174.92 1uxl s PRO 28 N -4.22 2.06 -0.18 2.90 0.04 -1.26 -4.85 135.00 129.49 1uxl s PRO 28 Ca 0.33 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1uxl s PRO 28 Cb -0.02 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1uxl s PRO 28 CO 0.20 -1.74 -0.01 0.08 0.04 0.00 0.00 177.00 175.57 1uxl s VAL 29 N -2.93 3.96 0.01 -0.36 1.01 0.00 -4.29 120.40 117.79 1uxl s VAL 29 Ca 0.61 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1uxl s VAL 29 Cb -0.17 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1uxl s VAL 29 CO 0.56 0.46 0.62 -0.54 0.00 0.00 0.00 175.10 176.20 1uxl s LYS 30 N 0.68 4.34 -0.12 2.72 1.02 0.28 -0.93 119.74 127.73 1uxl s LYS 30 Ca -0.01 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1uxl s LYS 30 Cb -0.14 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1uxl s LYS 30 CO 0.02 0.37 -0.11 0.08 -0.92 0.00 0.00 175.35 174.78 1uxl s VAL 31 N -0.20 1.28 0.03 3.17 1.01 0.55 -1.08 120.40 125.15 1uxl s VAL 31 Ca 0.32 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1uxl s VAL 31 Cb -0.19 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1uxl s VAL 31 CO 0.18 0.41 0.41 -1.66 0.00 0.00 0.00 175.10 174.43 1uxl s TRP 32 N 1.42 -0.27 -5.00 5.22 -2.14 -0.33 -0.82 118.94 117.02 1uxl s TRP 32 Ca 0.01 0.28 0.00 0.00 2.66 0.00 0.00 56.10 59.05 1uxl s TRP 32 Cb -0.13 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.44 1uxl s TRP 32 CO -0.07 -0.54 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1uxl n GLY 33 N 0.67 -0.43 3.19 3.67 0.00 -0.61 0.42 105.19 112.10 1uxl n GLY 33 Ca -0.19 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1uxl n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uxl s SER 34 N -4.00 -0.15 -0.04 1.61 0.15 -0.96 -0.78 113.70 109.54 1uxl s SER 34 Ca 0.00 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1uxl s SER 34 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1uxl s SER 34 CO 0.00 -0.37 -0.09 -0.63 1.20 0.00 0.00 173.24 173.35 1uxl s ILE 35 N -1.13 0.80 0.41 6.45 1.01 -0.42 -1.96 121.20 126.36 1uxl s ILE 35 Ca -0.12 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1uxl s ILE 35 Cb -0.05 -0.74 -0.08 0.00 0.01 0.00 0.00 42.46 41.60 1uxl s ILE 35 CO 0.03 0.26 0.02 -1.59 0.00 0.00 0.00 174.94 173.66 1uxl s LYS 36 N 0.46 1.97 0.00 2.79 -2.85 0.45 -0.42 119.74 122.15 1uxl s LYS 36 Ca -0.08 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.81 1uxl s LYS 36 Cb -0.12 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 1uxl s LYS 36 CO 0.01 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1uxl n GLY 37 N -0.98 0.51 3.91 0.59 0.00 -0.97 -1.99 105.19 106.26 1uxl n GLY 37 Ca -0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1uxl n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxl s LEU 38 N 0.00 4.29 0.53 0.99 1.43 -0.70 -4.29 118.68 120.92 1uxl s LEU 38 Ca 0.00 0.49 -0.21 0.00 -1.03 0.00 0.00 54.13 53.38 1uxl s LEU 38 Cb 0.00 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1uxl s LEU 38 CO 0.00 0.07 1.22 0.42 0.23 0.00 0.00 176.35 178.29 1uxl s THR 39 N -1.64 2.74 0.26 5.49 -4.23 -1.26 -4.11 115.64 112.89 1uxl s THR 39 Ca 0.39 0.52 -0.31 0.00 -1.18 0.00 0.00 61.69 61.11 1uxl s THR 39 Cb -0.12 -3.24 -0.13 0.00 1.34 0.00 0.00 72.50 70.35 1uxl s THR 39 CO 0.26 -0.05 1.43 1.21 -0.54 0.00 0.00 174.62 176.93 1uxl n GLU 40 N -1.04 2.18 0.00 3.99 2.13 -1.26 -4.58 120.64 122.06 1uxl n GLU 40 Ca 0.10 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1uxl n GLU 40 Cb 0.48 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1uxl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uxl n GLY 41 N 2.01 0.44 3.81 8.31 0.00 -0.47 -4.92 105.19 114.37 1uxl n GLY 41 Ca 0.10 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 1uxl n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxl s LEU 42 N 0.00 4.33 -0.03 0.99 1.43 -1.26 -0.96 118.68 123.18 1uxl s LEU 42 Ca 0.00 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1uxl s LEU 42 Cb 0.00 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.54 1uxl s LEU 42 CO 0.00 -0.00 0.04 -1.00 0.23 0.00 0.00 176.35 175.61 1uxl s HIS 43 N -1.57 0.06 0.64 0.29 3.76 -0.07 -3.04 115.29 115.36 1uxl s HIS 43 Ca 0.45 0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 55.33 1uxl s HIS 43 Cb -0.17 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1uxl s HIS 43 CO 0.21 -0.12 1.31 0.20 -0.85 0.00 0.00 174.74 175.49 1uxl s GLY 44 N 1.36 2.87 -0.20 -2.22 0.00 -0.00 -1.02 107.32 108.11 1uxl s GLY 44 Ca -0.05 1.25 -0.04 0.00 0.00 0.00 0.00 44.72 45.87 1uxl s GLY 44 CO -0.03 1.69 0.17 -0.12 0.00 0.00 0.00 173.10 174.81 1uxl s PHE 45 N -1.37 -0.08 0.04 1.90 5.36 0.14 -0.66 117.98 123.31 1uxl s PHE 45 Ca 0.82 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.75 1uxl s PHE 45 Cb -0.38 -0.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.75 1uxl s PHE 45 CO 0.41 -0.59 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.52 1uxl s HIS 46 N 2.25 0.52 -0.25 10.12 3.76 -0.64 -2.28 115.29 128.77 1uxl s HIS 46 Ca 0.05 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 54.13 1uxl s HIS 46 Cb -0.16 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 1uxl s HIS 46 CO -0.13 -0.17 0.59 0.08 -0.85 0.00 0.00 174.74 174.26 1uxl s VAL 47 N -2.00 5.02 0.27 -0.90 1.01 0.25 -0.55 120.40 123.50 1uxl s VAL 47 Ca -0.07 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1uxl s VAL 47 Cb -0.06 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1uxl s VAL 47 CO -0.02 0.07 0.48 -1.00 0.00 0.00 0.00 175.10 174.63 1uxl s HIS 48 N 2.31 3.48 0.18 5.22 3.76 0.12 -0.94 115.29 129.43 1uxl s HIS 48 Ca 0.25 0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 55.46 1uxl s HIS 48 Cb -0.16 -1.94 0.09 0.00 1.11 0.00 0.00 32.58 31.69 1uxl s HIS 48 CO 0.09 0.24 1.84 1.49 -0.85 0.00 0.00 174.74 177.55 1uxl h GLU 49 N 1.54 0.79 -5.78 1.40 4.81 -0.62 -2.79 114.58 113.93 1uxl h GLU 49 Ca -0.48 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1uxl h GLU 49 Cb 1.20 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.25 1uxl h GLU 49 CO 0.65 0.54 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.81 1uxl s PHE 50 N -6.09 3.19 -0.25 0.92 0.08 -0.17 -4.65 117.98 111.01 1uxl s PHE 50 Ca -0.13 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.02 1uxl s PHE 50 Cb 0.13 -1.86 -0.09 0.00 -0.57 0.00 0.00 43.02 40.64 1uxl s PHE 50 CO 0.76 0.39 3.15 0.41 -0.10 0.00 0.00 175.22 179.83 1uxl n GLY 51 N 2.47 3.74 3.15 4.36 0.00 -1.13 -3.69 105.19 114.09 1uxl n GLY 51 Ca -0.18 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1uxl n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uxl s ASP 52 N 1.10 4.94 -0.24 1.61 -1.08 -1.26 -4.95 116.67 116.80 1uxl s ASP 52 Ca 0.62 -1.45 0.13 0.00 -0.52 0.00 0.00 52.55 51.34 1uxl s ASP 52 Cb 0.35 -1.73 0.55 0.00 -1.46 0.00 0.00 42.92 40.64 1uxl s ASP 52 CO -0.12 -0.31 1.49 0.59 0.52 0.00 0.00 175.17 177.33 1uxl n ASN 53 N 4.60 3.57 0.27 -0.34 5.03 -1.26 -3.29 115.26 123.84 1uxl n ASN 53 Ca -0.10 -3.28 0.14 0.00 0.87 0.00 0.00 54.58 52.20 1uxl n ASN 53 Cb 0.43 -0.60 0.72 0.00 -1.02 0.00 0.00 39.78 39.31 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1uxl h THR 54 N 1.64 0.42 -0.67 3.41 1.35 -1.93 -1.25 112.91 115.89 1uxl h THR 54 Ca 0.11 -0.58 -0.48 0.00 -0.55 0.00 0.00 66.41 64.91 1uxl h THR 54 Cb 1.65 1.41 -0.36 0.00 -1.73 0.00 0.00 68.15 69.12 1uxl h THR 54 CO 0.35 0.11 -0.63 0.00 -0.25 0.00 0.00 175.52 175.10 1uxl n ALA 55 N -2.22 4.93 -0.93 6.62 0.00 -1.26 -5.04 120.51 122.61 1uxl n ALA 55 Ca -0.01 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1uxl n ALA 55 Cb 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1uxl n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 56 N -0.79 2.91 0.13 0.00 0.00 -0.47 -2.17 105.19 104.80 1uxl n GLY 56 Ca 0.42 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1uxl n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxl h THR 58 N 0.00 0.46 -0.13 0.00 2.02 -1.77 -2.51 112.91 110.98 1uxl h THR 58 Ca 0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1uxl h THR 58 Cb 0.52 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1uxl h THR 58 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1uxl n SER 59 N -3.43 1.88 0.12 4.18 3.41 -1.21 -4.22 113.62 114.35 1uxl n SER 59 Ca -0.01 -1.69 0.12 0.00 -0.26 0.00 0.00 58.87 57.03 1uxl n SER 59 Cb 0.33 -0.08 0.46 0.00 -0.26 0.00 0.00 64.21 64.66 1uxl n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxl n ALA 60 N 0.46 1.88 -0.05 7.33 0.00 -0.95 -4.54 120.51 124.65 1uxl n ALA 60 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1uxl n ALA 60 Cb 0.38 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1uxl n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 61 N 0.47 -1.78 3.85 0.00 0.00 -1.26 -1.00 105.19 105.47 1uxl n GLY 61 Ca 0.03 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1uxl n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 62 N -0.05 -1.16 -1.81 1.61 -0.04 -1.26 -4.58 135.00 127.70 1uxl n PRO 62 Ca 0.00 -2.12 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 1uxl n PRO 62 Cb 0.00 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1uxl n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uxl s HIS 63 N -3.80 2.35 -0.00 0.54 3.76 -1.26 -0.41 115.29 116.46 1uxl s HIS 63 Ca 0.74 1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 56.71 1uxl s HIS 63 Cb -0.02 -3.80 -0.07 0.00 1.11 0.00 0.00 32.58 29.79 1uxl s HIS 63 CO 0.52 -2.84 1.75 0.12 -0.85 0.00 0.00 174.74 173.43 1uxl s PHE 64 N -1.29 1.86 -0.42 1.40 5.36 -0.12 -4.47 117.98 120.29 1uxl s PHE 64 Ca 0.69 0.02 0.08 0.00 -0.96 0.00 0.00 56.93 56.77 1uxl s PHE 64 Cb -0.40 -4.02 0.30 0.00 -0.34 0.00 0.00 43.02 38.55 1uxl s PHE 64 CO 0.49 -4.37 0.82 -1.71 -1.46 0.00 0.00 175.22 168.99 1uxl n ASN 65 N 6.95 -0.93 0.28 6.13 5.15 -1.26 -1.40 115.26 130.19 1uxl n ASN 65 Ca 0.18 -3.19 0.19 0.00 -0.60 0.00 0.00 54.58 51.16 1uxl n ASN 65 Cb 0.42 0.56 0.85 0.00 -0.53 0.00 0.00 39.78 41.08 1uxl n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1uxl h PRO 66 N 3.43 0.00 -0.59 1.20 0.13 -1.95 -2.46 132.00 131.76 1uxl h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1uxl h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1uxl h PRO 66 CO 0.36 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.41 1uxl n LEU 67 N -2.99 3.63 -3.73 1.56 4.77 -1.26 -4.97 117.00 114.00 1uxl n LEU 67 Ca -0.01 -1.73 -0.22 0.00 -0.03 0.00 0.00 56.01 54.02 1uxl n LEU 67 Cb 0.21 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1uxl n LEU 67 CO 0.23 0.87 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.90 1uxl n SER 68 N 1.51 -1.47 -4.99 -1.43 7.64 -0.93 -5.00 113.62 108.96 1uxl n SER 68 Ca 0.22 -0.82 -0.20 0.00 1.01 0.00 0.00 58.87 59.08 1uxl n SER 68 Cb 0.59 -4.00 0.02 0.00 -1.01 0.00 0.00 64.21 59.82 1uxl n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxl s ARG 69 N -6.07 2.51 0.50 1.43 1.81 -1.26 -5.12 118.95 112.76 1uxl s ARG 69 Ca 0.07 -1.53 -0.06 0.00 -1.72 0.00 0.00 55.73 52.49 1uxl s ARG 69 Cb -0.03 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 1uxl s ARG 69 CO 0.82 -0.53 0.82 0.15 -0.68 0.00 0.00 175.30 175.87 1uxl s LYS 70 N -4.43 3.55 0.35 3.54 1.02 -1.26 -4.73 119.74 117.78 1uxl s LYS 70 Ca 0.54 0.27 -0.28 0.00 0.02 0.00 0.00 55.97 56.52 1uxl s LYS 70 Cb -0.06 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 1uxl s LYS 70 CO 0.33 -0.25 1.38 -1.58 -0.92 0.00 0.00 175.35 174.31 1uxl s HIS 71 N -2.80 2.84 0.05 3.18 5.65 -0.29 -3.33 115.29 120.60 1uxl s HIS 71 Ca 0.48 1.31 -0.01 0.00 0.25 0.00 0.00 55.06 57.10 1uxl s HIS 71 Cb -0.10 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 1uxl s HIS 71 CO 0.46 -2.36 0.08 0.41 -0.65 0.00 0.00 174.74 172.69 1uxl n GLY 72 N 0.65 2.75 3.94 1.59 0.00 -1.25 -4.33 105.19 108.55 1uxl n GLY 72 Ca 0.01 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 1uxl n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uxl s GLY 73 N -1.32 1.60 0.57 -0.02 0.00 -1.19 -4.66 107.32 102.29 1uxl s GLY 73 Ca 0.04 -0.97 0.27 0.00 0.00 0.00 0.00 44.72 44.06 1uxl s GLY 73 CO 0.03 -0.75 2.22 -0.56 0.00 0.00 0.00 173.10 174.03 1uxl h PRO 74 N 0.20 0.00 -0.38 2.90 0.13 -1.86 -1.82 132.00 131.16 1uxl h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1uxl h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1uxl h PRO 74 CO 0.58 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 1uxl n LYS 75 N -3.97 2.25 -3.20 0.86 4.76 -1.26 -4.89 118.16 112.71 1uxl n LYS 75 Ca -0.03 -1.90 -0.37 0.00 -2.87 0.00 0.00 58.31 53.14 1uxl n LYS 75 Cb 0.10 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1uxl n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1uxl s ASP 76 N -1.38 7.06 0.18 4.39 1.01 -0.69 -4.98 116.67 122.28 1uxl s ASP 76 Ca 0.37 1.33 -0.09 0.00 0.71 0.00 0.00 52.55 54.87 1uxl s ASP 76 Cb 0.20 -2.38 0.07 0.00 1.01 0.00 0.00 42.92 41.83 1uxl s ASP 76 CO 0.29 0.17 1.64 -0.08 0.21 0.00 0.00 175.17 177.39 1uxl h GLU 77 N 4.00 1.07 -5.43 8.23 4.22 -1.90 -3.37 114.58 121.40 1uxl h GLU 77 Ca -0.49 -0.35 -0.63 0.00 0.08 0.00 0.00 59.36 57.97 1uxl h GLU 77 Cb 1.20 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 1uxl h GLU 77 CO 0.65 1.05 0.50 -2.00 -2.18 0.00 0.00 179.01 177.02 1uxl s GLU 78 N -4.99 3.14 0.18 1.92 2.56 -1.26 -4.96 118.70 115.28 1uxl s GLU 78 Ca -0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 54.97 53.89 1uxl s GLU 78 Cb 0.14 -4.20 0.03 0.00 2.00 0.00 0.00 34.13 32.10 1uxl s GLU 78 CO 0.86 -1.72 0.52 -0.98 -0.56 0.00 0.00 175.26 173.38 1uxl s ARG 79 N 3.90 1.33 0.47 4.30 1.70 -1.21 -3.88 118.95 125.56 1uxl s ARG 79 Ca 0.22 -0.79 -0.19 0.00 -0.47 0.00 0.00 55.73 54.50 1uxl s ARG 79 Cb -0.17 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 1uxl s ARG 79 CO 0.11 -0.56 0.98 -1.01 -1.08 0.00 0.00 175.30 173.74 1uxl s HIS 80 N -3.85 3.28 0.36 5.89 3.76 -1.22 -4.65 115.29 118.87 1uxl s HIS 80 Ca 0.07 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.62 1uxl s HIS 80 Cb -0.01 -2.88 0.79 0.00 1.11 0.00 0.00 32.58 31.60 1uxl s HIS 80 CO -0.05 -0.36 1.90 0.28 -0.85 0.00 0.00 174.74 175.66 1uxl h VAL 81 N 1.48 0.89 0.00 -0.90 2.07 -1.83 -1.73 116.25 116.23 1uxl h VAL 81 Ca -0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1uxl h VAL 81 Cb 1.19 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1uxl h VAL 81 CO 0.61 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1uxl n GLY 82 N -1.44 -0.86 3.51 2.17 0.00 -0.49 -4.45 105.19 103.63 1uxl n GLY 82 Ca 0.15 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1uxl n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxl s ASP 83 N -1.63 6.28 -0.08 1.61 1.01 -0.65 -0.58 116.67 122.62 1uxl s ASP 83 Ca 0.23 -0.97 0.17 0.00 0.71 0.00 0.00 52.55 52.69 1uxl s ASP 83 Cb 0.11 -2.50 0.61 0.00 1.01 0.00 0.00 42.92 42.15 1uxl s ASP 83 CO 0.18 -1.57 1.52 0.18 0.21 0.00 0.00 175.17 175.69 1uxl n LEU 84 N 8.45 4.20 0.00 1.23 4.77 -0.97 -3.42 117.00 131.27 1uxl n LEU 84 Ca 0.08 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 1uxl n LEU 84 Cb 0.48 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1uxl n LEU 84 CO 0.66 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1uxl n GLY 85 N 0.90 1.02 3.35 -0.72 0.00 -1.19 -4.76 105.19 103.79 1uxl n GLY 85 Ca 0.22 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1uxl n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uxl s ASN 86 N -4.00 3.01 0.21 1.61 0.01 -1.26 -0.68 114.94 113.84 1uxl s ASN 86 Ca 0.00 -0.73 0.08 0.00 -0.71 0.00 0.00 52.86 51.49 1uxl s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1uxl s ASN 86 CO 0.00 0.13 0.05 0.68 -1.51 0.00 0.00 177.10 176.44 1uxl s VAL 87 N -1.14 3.86 -0.18 1.60 -7.23 -0.19 -4.89 120.40 112.22 1uxl s VAL 87 Ca 0.11 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1uxl s VAL 87 Cb -0.10 -3.00 0.01 0.00 0.56 0.00 0.00 36.38 33.85 1uxl s VAL 87 CO 0.05 -0.22 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.58 1uxl s THR 88 N -1.95 2.46 0.01 5.32 2.01 -1.26 -0.89 115.64 121.33 1uxl s THR 88 Ca 0.30 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1uxl s THR 88 Cb -0.08 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 1uxl s THR 88 CO 0.20 0.51 0.44 0.00 -0.69 0.00 0.00 174.62 175.09 1uxl s ALA 89 N 1.19 3.67 0.94 7.40 0.00 -0.13 -4.10 121.76 130.72 1uxl s ALA 89 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1uxl s ALA 89 Cb -0.14 -2.45 0.14 0.00 0.00 0.00 0.00 23.12 20.67 1uxl s ALA 89 CO -0.07 0.45 0.83 -0.40 0.00 0.00 0.00 175.76 176.56 1uxl n ASP 90 N 1.86 0.20 0.21 0.00 5.68 0.02 -1.37 116.55 123.14 1uxl n ASP 90 Ca -0.13 -1.38 0.14 0.00 -0.50 0.00 0.00 54.79 52.92 1uxl n ASP 90 Cb 0.52 -0.62 0.71 0.00 -1.14 0.00 0.00 41.12 40.59 1uxl n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1uxl h LYS 91 N 0.00 0.00 -0.29 0.11 2.10 -1.97 -0.81 116.57 115.71 1uxl h LYS 91 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1uxl h LYS 91 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1uxl h LYS 91 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 1uxl n ASP 92 N -2.52 2.65 0.00 7.07 8.00 -1.26 -4.89 116.55 125.59 1uxl n ASP 92 Ca -0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1uxl n ASP 92 Cb 0.12 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1uxl n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxl n GLY 93 N 1.33 0.57 3.57 0.44 0.00 -0.31 -4.78 105.19 106.02 1uxl n GLY 93 Ca 0.18 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1uxl n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uxl s VAL 94 N -2.00 4.55 -0.27 1.61 1.01 -1.26 -1.72 120.40 122.33 1uxl s VAL 94 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1uxl s VAL 94 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1uxl s VAL 94 CO 0.00 0.43 0.09 0.00 0.00 0.00 0.00 175.10 175.62 1uxl s ALA 95 N 0.69 3.19 -0.22 5.51 0.00 0.44 -0.80 121.76 130.57 1uxl s ALA 95 Ca 0.03 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 1uxl s ALA 95 Cb -0.13 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1uxl s ALA 95 CO 0.02 -0.62 0.37 -0.51 0.00 0.00 0.00 175.76 175.02 1uxl s ASP 96 N 1.61 6.36 -0.16 0.00 -0.00 -1.26 -1.30 116.67 121.92 1uxl s ASP 96 Ca 0.06 0.42 -0.06 0.00 -0.00 0.00 0.00 52.55 52.97 1uxl s ASP 96 Cb -0.16 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 1uxl s ASP 96 CO 0.04 -0.09 0.03 -0.69 -0.00 0.00 0.00 175.17 174.46 1uxl s VAL 97 N 1.48 4.48 -0.24 -1.27 1.01 0.04 -4.80 120.40 121.10 1uxl s VAL 97 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1uxl s VAL 97 Cb -0.15 -2.99 0.12 0.00 0.00 0.00 0.00 36.38 33.36 1uxl s VAL 97 CO 0.08 0.49 0.28 -0.55 0.00 0.00 0.00 175.10 175.39 1uxl s SER 98 N 0.22 1.31 -0.04 3.32 0.15 -1.26 -1.58 113.70 115.83 1uxl s SER 98 Ca 0.02 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.33 1uxl s SER 98 Cb -0.13 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1uxl s SER 98 CO 0.01 -0.35 -0.08 -0.63 1.20 0.00 0.00 173.24 173.40 1uxl s ILE 99 N 2.38 0.76 -0.06 6.45 1.01 -0.00 -5.01 121.20 126.72 1uxl s ILE 99 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1uxl s ILE 99 Cb -0.15 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1uxl s ILE 99 CO -0.21 0.26 -0.03 -0.70 0.00 0.00 0.00 174.94 174.26 1uxl s GLU 100 N 0.63 2.83 -0.00 2.79 2.12 -1.26 -0.33 118.70 125.47 1uxl s GLU 100 Ca -0.10 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1uxl s GLU 100 Cb -0.13 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 1uxl s GLU 100 CO 0.01 0.67 -0.03 0.34 -0.54 0.00 0.00 175.26 175.71 1uxl s ASP 101 N -1.03 0.39 0.00 -1.70 2.15 -0.11 -4.97 116.67 111.41 1uxl s ASP 101 Ca 0.14 -0.06 0.15 0.00 0.43 0.00 0.00 52.55 53.22 1uxl s ASP 101 Cb -0.11 -0.05 0.28 0.00 -0.30 0.00 0.00 42.92 42.73 1uxl s ASP 101 CO 0.04 0.04 1.18 -1.20 -0.17 0.00 0.00 175.17 175.05 1uxl n SER 102 N 3.03 2.80 -0.11 -0.34 7.64 -1.26 -0.82 113.62 124.56 1uxl n SER 102 Ca -0.13 -1.82 -0.22 0.00 1.01 0.00 0.00 58.87 57.70 1uxl n SER 102 Cb 0.59 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 1uxl n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uxl n VAL 103 N 0.91 1.26 -1.34 0.44 0.31 -1.26 -4.92 118.33 113.72 1uxl n VAL 103 Ca 0.13 -0.36 -0.33 0.00 -0.01 0.00 0.00 64.34 63.77 1uxl n VAL 103 Cb 0.44 -1.68 0.10 0.00 -0.91 0.00 0.00 33.84 31.79 1uxl n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uxl s ILE 104 N -2.42 2.64 0.06 2.52 -4.36 -1.26 -4.90 121.20 113.48 1uxl s ILE 104 Ca -0.31 0.27 -0.03 0.00 -0.26 0.00 0.00 60.65 60.32 1uxl s ILE 104 Cb 0.11 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 1uxl s ILE 104 CO 0.43 -0.21 0.02 -0.55 0.24 0.00 0.00 174.94 174.87 1uxl s SER 105 N -2.50 0.41 0.00 4.36 0.15 -1.08 -4.62 113.70 110.42 1uxl s SER 105 Ca 0.69 -0.93 0.22 0.00 0.70 0.00 0.00 55.95 56.63 1uxl s SER 105 Cb -0.24 0.23 0.51 0.00 -1.71 0.00 0.00 66.02 64.81 1uxl s SER 105 CO 0.48 -0.63 1.45 0.18 1.20 0.00 0.00 173.24 175.92 1uxl n LEU 106 N 0.07 3.65 -3.75 3.45 4.77 -1.26 -1.24 117.00 122.69 1uxl n LEU 106 Ca -0.14 -1.74 -0.11 0.00 -0.03 0.00 0.00 56.01 53.99 1uxl n LEU 106 Cb 0.61 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1uxl n LEU 106 CO 0.27 0.85 0.03 -0.94 -1.33 0.00 0.00 177.39 176.27 1uxl s SER 107 N -1.24 -0.11 0.00 -1.43 1.04 -1.26 -4.81 113.70 105.90 1uxl s SER 107 Ca 0.42 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1uxl s SER 107 Cb 0.23 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1uxl s SER 107 CO 0.31 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1uxl n GLY 108 N 0.37 -1.92 0.27 7.32 0.00 -1.26 -3.79 105.19 106.18 1uxl n GLY 108 Ca -0.18 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1uxl n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxl h ASP 109 N 0.00 0.79 -0.11 1.61 3.45 -2.01 0.29 116.42 120.44 1uxl h ASP 109 Ca 0.00 -0.27 -0.01 0.00 0.43 0.00 0.00 57.03 57.18 1uxl h ASP 109 Cb 0.00 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1uxl h ASP 109 CO 0.00 0.97 0.02 1.41 -1.57 0.00 0.00 179.24 180.06 1uxl n HIS 110 N -4.13 0.39 -2.57 4.55 8.25 -1.26 -4.91 115.22 115.54 1uxl n HIS 110 Ca 0.00 -0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 1uxl n HIS 110 Cb 0.41 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 1uxl n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uxl n ILE 112 N 1.81 0.00 -2.04 0.00 -5.35 -0.37 -4.89 119.36 108.53 1uxl n ILE 112 Ca 0.00 -0.05 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 1uxl n ILE 112 Cb 0.46 0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 1uxl n ILE 112 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1uxl s THR 113 N -2.79 2.65 0.00 7.28 -4.23 -1.26 -1.49 115.64 115.79 1uxl s THR 113 Ca 0.16 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1uxl s THR 113 Cb 0.18 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1uxl s THR 113 CO 0.63 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1uxl n GLY 114 N 1.59 0.81 3.35 3.99 0.00 0.82 -4.99 105.19 110.76 1uxl n GLY 114 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1uxl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxl n ARG 115 N -2.01 0.74 -4.46 1.61 1.74 -0.56 -2.86 116.66 110.86 1uxl n ARG 115 Ca 0.00 -2.90 -0.34 0.00 -0.77 0.00 0.00 57.85 53.84 1uxl n ARG 115 Cb 0.00 0.13 -0.12 0.00 -1.02 0.00 0.00 32.46 31.45 1uxl n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxl s THR 116 N -2.30 3.77 -0.06 0.55 2.01 -1.05 -0.47 115.64 118.09 1uxl s THR 116 Ca 0.36 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 1uxl s THR 116 Cb -0.03 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1uxl s THR 116 CO 0.23 0.50 0.44 -0.22 -0.69 0.00 0.00 174.62 174.89 1uxl s LEU 117 N 0.33 4.36 -0.02 4.42 2.96 -0.33 0.14 118.68 130.54 1uxl s LEU 117 Ca -0.05 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1uxl s LEU 117 Cb -0.14 -2.64 -0.00 0.00 0.50 0.00 0.00 46.19 43.90 1uxl s LEU 117 CO 0.03 0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 1uxl s VAL 118 N -0.13 0.88 -0.08 1.68 1.01 0.29 -1.95 120.40 122.10 1uxl s VAL 118 Ca 0.25 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1uxl s VAL 118 Cb -0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1uxl s VAL 118 CO 0.11 0.26 -0.10 0.54 0.00 0.00 0.00 175.10 175.91 1uxl s VAL 119 N -0.02 3.38 0.36 2.92 0.11 -0.58 -1.62 120.40 124.95 1uxl s VAL 119 Ca 0.00 -0.58 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1uxl s VAL 119 Cb -0.07 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1uxl s VAL 119 CO 0.00 0.57 0.31 -1.00 -3.33 0.00 0.00 175.10 171.65 1uxl s HIS 120 N -0.42 2.83 0.18 1.54 3.76 0.16 -0.96 115.29 122.38 1uxl s HIS 120 Ca 0.06 -0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 1uxl s HIS 120 Cb -0.12 -1.91 0.09 0.00 1.11 0.00 0.00 32.58 31.75 1uxl s HIS 120 CO 0.02 0.09 1.78 1.49 -0.85 0.00 0.00 174.74 177.27 1uxl h GLU 121 N 1.19 0.89 -5.12 1.40 4.81 -0.87 -3.37 114.58 113.50 1uxl h GLU 121 Ca -0.44 -0.12 -0.58 0.00 -0.13 0.00 0.00 59.36 58.09 1uxl h GLU 121 Cb 1.26 -0.17 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 1uxl h GLU 121 CO 0.58 0.69 -0.53 0.15 -0.73 0.00 0.00 179.01 179.18 1uxl s LYS 122 N -5.77 1.98 0.41 1.92 1.02 -0.16 -4.91 119.74 114.22 1uxl s LYS 122 Ca -0.13 -2.21 -0.25 0.00 0.02 0.00 0.00 55.97 53.40 1uxl s LYS 122 Cb 0.13 -0.91 -0.08 0.00 -0.52 0.00 0.00 37.83 36.45 1uxl s LYS 122 CO 0.78 -0.41 1.25 0.00 -0.92 0.00 0.00 175.35 176.05 1uxl s ALA 123 N -3.11 3.19 -0.09 5.17 0.00 -1.17 -0.82 121.76 124.93 1uxl s ALA 123 Ca 0.21 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 53.02 1uxl s ALA 123 Cb 0.03 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1uxl s ALA 123 CO 0.12 -0.72 0.87 0.34 0.00 0.00 0.00 175.76 176.37 1uxl s ASP 124 N -0.92 7.12 0.00 0.00 -1.08 -1.26 -3.89 116.67 116.65 1uxl s ASP 124 Ca 0.58 1.37 0.25 0.00 -0.52 0.00 0.00 52.55 54.22 1uxl s ASP 124 Cb -0.35 -2.49 1.38 0.00 -1.46 0.00 0.00 42.92 39.99 1uxl s ASP 124 CO 0.44 -0.31 1.90 -0.90 0.52 0.00 0.00 175.17 176.82 1uxl n ASP 125 N 4.51 0.26 -1.76 -0.34 5.68 -0.01 -4.89 116.55 119.99 1uxl n ASP 125 Ca 0.04 -1.29 -0.19 0.00 -0.50 0.00 0.00 54.79 52.85 1uxl n ASP 125 Cb 0.50 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1uxl n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxl n LEU 126 N -0.70 -1.59 -0.03 -2.12 4.77 -1.26 -1.83 117.00 114.24 1uxl n LEU 126 Ca 0.18 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1uxl n LEU 126 Cb 0.13 -2.65 -0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1uxl n LEU 126 CO 0.14 -0.61 -0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1uxl n GLY 127 N -0.84 0.46 0.97 -0.72 0.00 -1.25 -3.19 105.19 100.62 1uxl n GLY 127 Ca -0.20 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.43 1uxl n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uxl n LYS 128 N -2.90 3.02 0.19 1.61 4.76 -0.76 -4.60 118.16 119.47 1uxl n LYS 128 Ca -0.00 -2.43 0.14 0.00 -2.87 0.00 0.00 58.31 53.15 1uxl n LYS 128 Cb 0.02 -1.52 0.49 0.00 -1.84 0.00 0.00 35.03 32.19 1uxl n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1uxl h GLY 129 N 2.73 0.00 -0.55 0.72 0.00 -1.90 -3.47 103.07 100.60 1uxl h GLY 129 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1uxl h GLY 129 CO 0.08 0.00 -0.09 0.61 0.00 0.00 0.00 176.54 177.13 1uxl n GLY 130 N 0.41 0.24 3.29 4.60 0.00 -1.26 -5.01 105.19 107.46 1uxl n GLY 130 Ca 0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1uxl n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxl s ASN 131 N -2.85 0.06 0.30 1.61 6.03 -1.26 -5.05 114.94 113.79 1uxl s ASN 131 Ca 0.00 -0.78 0.03 0.00 -1.03 0.00 0.00 52.86 51.08 1uxl s ASN 131 Cb -0.00 0.40 0.60 0.00 -3.03 0.00 0.00 41.25 39.22 1uxl s ASN 131 CO 0.00 -0.83 1.85 -0.33 -2.03 0.00 0.00 177.10 175.76 1uxl h GLU 132 N 2.61 0.92 -0.19 3.55 5.08 -2.00 -0.87 114.58 123.68 1uxl h GLU 132 Ca -0.33 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1uxl h GLU 132 Cb 1.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1uxl h GLU 132 CO 0.51 0.61 -0.11 1.49 -1.00 0.00 0.00 179.01 180.50 1uxl h GLU 133 N 0.95 0.30 -0.38 2.33 4.57 -1.99 -2.95 114.58 117.40 1uxl h GLU 133 Ca 0.47 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1uxl h GLU 133 Cb 0.49 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1uxl h GLU 133 CO -0.24 0.42 0.18 1.03 -1.18 0.00 0.00 179.01 179.23 1uxl h SER 134 N 0.28 0.26 -0.11 1.04 0.87 -1.50 0.14 113.55 114.53 1uxl h SER 134 Ca 0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1uxl h SER 134 Cb 0.38 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1uxl h SER 134 CO 0.02 0.19 0.00 0.35 -0.53 0.00 0.00 176.83 176.86 1uxl n THR 135 N -4.94 0.15 -0.04 2.23 -2.24 -1.12 -1.61 114.28 106.72 1uxl n THR 135 Ca 0.01 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1uxl n THR 135 Cb 0.10 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1uxl n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1uxl n LYS 136 N -0.19 0.20 0.00 -0.78 4.81 -0.76 -1.14 118.16 120.31 1uxl n LYS 136 Ca 0.06 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1uxl n LYS 136 Cb 0.12 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.33 1uxl n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1uxl n THR 137 N -3.51 0.00 -0.93 3.15 -2.24 0.43 -4.63 114.28 106.55 1uxl n THR 137 Ca -0.16 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1uxl n THR 137 Cb 0.54 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1uxl n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxl n GLY 138 N 1.36 0.63 3.48 3.38 0.00 -0.63 -4.06 105.19 109.36 1uxl n GLY 138 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1uxl n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uxl n ASN 139 N 0.00 -5.57 -0.26 1.61 3.02 -1.26 -0.83 115.26 111.97 1uxl n ASN 139 Ca 0.00 -0.51 0.11 0.00 -0.03 0.00 0.00 54.58 54.15 1uxl n ASN 139 Cb 0.00 -4.45 0.50 0.00 -0.61 0.00 0.00 39.78 35.22 1uxl n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uxl n ALA 140 N -4.31 2.57 -0.42 5.41 0.00 -1.25 -4.73 120.51 117.79 1uxl n ALA 140 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1uxl n ALA 140 Cb 0.57 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1uxl n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 141 N 0.97 -0.27 3.72 0.00 0.00 -1.26 -0.99 105.19 107.36 1uxl n GLY 141 Ca 0.16 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1uxl n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxl s SER 142 N -4.00 3.69 -0.47 1.61 1.04 -1.26 -4.61 113.70 109.70 1uxl s SER 142 Ca 0.00 1.79 -0.21 0.00 0.48 0.00 0.00 55.95 58.01 1uxl s SER 142 Cb 0.00 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.74 1uxl s SER 142 CO 0.00 -2.55 0.67 -0.13 0.98 0.00 0.00 173.24 172.22 1uxl s ARG 143 N -4.84 3.24 0.05 4.02 0.52 -1.26 -0.78 118.95 119.91 1uxl s ARG 143 Ca 0.63 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1uxl s ARG 143 Cb -0.19 -4.00 -0.25 0.00 0.52 0.00 0.00 34.95 31.03 1uxl s ARG 143 CO 0.57 -1.13 1.04 -0.07 0.02 0.00 0.00 175.30 175.74 1uxl h LEU 144 N 9.85 0.19 -7.00 2.53 3.38 -1.35 -3.48 115.31 119.43 1uxl h LEU 144 Ca -0.26 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1uxl h LEU 144 Cb 1.09 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1uxl h LEU 144 CO 0.94 1.19 0.20 0.00 0.09 0.00 0.00 178.44 180.86 1uxl s ALA 145 N -2.66 -1.69 0.24 1.53 0.00 -1.17 -4.17 121.76 113.85 1uxl s ALA 145 Ca -0.04 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1uxl s ALA 145 Cb 0.08 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.65 1uxl s ALA 145 CO 0.84 -0.56 0.74 0.00 0.00 0.00 0.00 175.76 176.79 1uxl s GLY 147 N -2.90 -0.45 0.10 0.00 0.00 -0.82 -1.37 107.32 101.88 1uxl s GLY 147 Ca 0.10 0.49 -0.27 0.00 0.00 0.00 0.00 44.72 45.04 1uxl s GLY 147 CO 0.04 0.16 0.84 0.14 0.00 0.00 0.00 173.10 174.28 1uxl s VAL 148 N -3.54 4.54 -0.21 1.40 1.01 -1.26 -1.19 120.40 121.15 1uxl s VAL 148 Ca 0.05 1.82 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 1uxl s VAL 148 Cb -0.02 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1uxl s VAL 148 CO -0.07 0.39 0.98 -0.63 0.00 0.00 0.00 175.10 175.77 1uxl s ILE 149 N -0.32 4.74 0.21 2.22 1.01 0.39 -4.53 121.20 124.91 1uxl s ILE 149 Ca 0.41 1.92 0.10 0.00 0.00 0.00 0.00 60.65 63.07 1uxl s ILE 149 Cb -0.22 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1uxl s ILE 149 CO 0.26 -0.12 -0.11 -0.83 0.00 0.00 0.00 174.94 174.14 1uxl s GLY 150 N 1.21 1.73 0.14 6.18 0.00 0.25 -0.13 107.32 116.70 1uxl s GLY 150 Ca 0.42 -1.58 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 1uxl s GLY 150 CO 0.08 -1.61 1.46 -0.42 0.00 0.00 0.00 173.10 172.60 1uxl s ILE 151 N -1.91 3.01 0.25 0.90 1.01 -1.26 -0.58 121.20 122.62 1uxl s ILE 151 Ca 0.26 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.75 1uxl s ILE 151 Cb -0.08 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1uxl s ILE 151 CO 0.15 0.06 -0.14 0.00 0.00 0.00 0.00 174.94 175.01 1uxl s ALA 152 N 1.04 2.85 -2.00 9.38 0.00 -0.41 -4.80 121.76 127.82 1uxl s ALA 152 Ca 0.66 -1.72 0.25 0.00 0.00 0.00 0.00 51.96 51.15 1uxl s ALA 152 Cb -0.40 -0.47 1.49 0.00 0.00 0.00 0.00 23.12 23.74 1uxl s ALA 152 CO 0.31 0.33 1.85 0.94 0.00 0.00 0.00 175.76 179.19