#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 4.93 0.10 0.00 -1.32 -0.41 -4.91 115.64 114.02 1uxl s THR 2 Ca 0.00 0.70 0.05 0.00 -1.21 0.00 0.00 61.69 61.22 1uxl s THR 2 Cb 0.00 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 1uxl s THR 2 CO 0.00 0.23 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.98 1uxl s LYS 3 N -2.01 0.89 0.16 7.08 1.02 -1.26 -0.82 119.74 124.80 1uxl s LYS 3 Ca 0.37 -1.15 -0.08 0.00 0.02 0.00 0.00 55.97 55.13 1uxl s LYS 3 Cb -0.14 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1uxl s LYS 3 CO 0.19 0.12 0.25 0.00 -0.92 0.00 0.00 175.35 175.00 1uxl s ALA 4 N -2.16 0.12 0.04 5.17 0.00 -0.65 -1.36 121.76 122.92 1uxl s ALA 4 Ca 0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1uxl s ALA 4 Cb -0.05 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1uxl s ALA 4 CO 0.01 -0.62 0.26 0.54 0.00 0.00 0.00 175.76 175.95 1uxl s VAL 5 N -3.98 0.09 -0.09 0.00 0.11 -0.01 -0.96 120.40 115.56 1uxl s VAL 5 Ca 0.18 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 1uxl s VAL 5 Cb 0.04 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1uxl s VAL 5 CO 0.00 -0.43 0.21 0.00 -3.33 0.00 0.00 175.10 171.56 1uxl s VAL 7 N 1.35 5.04 -0.16 0.00 1.01 -1.26 -0.98 120.40 125.39 1uxl s VAL 7 Ca -0.08 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1uxl s VAL 7 Cb -0.11 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1uxl s VAL 7 CO -0.08 0.29 0.29 -0.76 0.00 0.00 0.00 175.10 174.85 1uxl s LEU 8 N 1.59 4.25 0.06 3.92 1.43 0.41 -3.90 118.68 126.44 1uxl s LEU 8 Ca 0.07 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1uxl s LEU 8 Cb -0.15 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1uxl s LEU 8 CO 0.08 0.10 0.14 -0.54 0.23 0.00 0.00 176.35 176.36 1uxl s LYS 9 N 0.44 0.73 0.00 1.70 1.02 -0.54 -2.29 119.74 120.80 1uxl s LYS 9 Ca 0.17 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1uxl s LYS 9 Cb -0.13 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1uxl s LYS 9 CO 0.04 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1uxl n GLY 10 N 0.29 3.32 0.14 -3.33 0.00 -1.24 -0.74 105.19 103.63 1uxl n GLY 10 Ca -0.16 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.54 1.61 3.45 -1.92 -3.46 116.42 115.56 1uxl h ASP 11 Ca 0.00 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1uxl h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1uxl h ASP 11 CO 0.00 0.02 0.00 0.61 -1.57 0.00 0.00 179.24 178.30 1uxl n GLY 12 N 1.23 3.27 0.53 2.75 0.00 -1.26 -5.03 105.19 106.67 1uxl n GLY 12 Ca 0.04 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 1.70 -2.39 1.61 -0.04 -1.26 -4.92 135.00 129.70 1uxl n PRO 13 Ca 0.00 -1.05 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 1uxl n PRO 13 Cb 0.00 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.84 4.09 0.02 0.52 1.01 -1.26 -4.38 120.40 118.55 1uxl s VAL 14 Ca 0.34 1.43 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1uxl s VAL 14 Cb 0.18 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1uxl s VAL 14 CO 0.28 0.00 0.36 0.00 0.00 0.00 0.00 175.10 175.74 1uxl s GLN 15 N 2.23 0.80 -0.05 2.72 -2.07 -0.81 -3.65 119.66 118.83 1uxl s GLN 15 Ca 0.58 -0.31 -0.31 0.00 -1.82 0.00 0.00 55.36 53.51 1uxl s GLN 15 Cb -0.27 0.36 0.12 0.00 -1.09 0.00 0.00 33.01 32.13 1uxl s GLN 15 CO 0.23 -0.25 1.34 0.20 -1.32 0.00 0.00 175.29 175.50 1uxl s GLY 16 N -1.73 -0.35 -0.09 2.60 0.00 -0.97 -0.49 107.32 106.30 1uxl s GLY 16 Ca -0.09 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.22 1uxl s GLY 16 CO 0.01 2.16 -0.16 -0.42 0.00 0.00 0.00 173.10 174.69 1uxl s ILE 17 N -2.16 1.48 -0.10 0.90 1.01 -1.00 -0.45 121.20 120.88 1uxl s ILE 17 Ca 0.20 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1uxl s ILE 17 Cb 0.04 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1uxl s ILE 17 CO -0.04 0.43 -0.22 -0.63 0.00 0.00 0.00 174.94 174.49 1uxl s ILE 18 N 0.74 1.92 0.07 2.92 -1.09 -0.15 -2.47 121.20 123.14 1uxl s ILE 18 Ca -0.12 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 1uxl s ILE 18 Cb -0.16 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1uxl s ILE 18 CO 0.02 0.53 0.09 0.20 -1.23 0.00 0.00 174.94 174.55 1uxl s ASN 19 N 0.45 5.63 0.00 3.58 -0.87 0.17 -0.81 114.94 123.09 1uxl s ASN 19 Ca -0.17 0.04 0.04 0.00 -1.57 0.00 0.00 52.86 51.21 1uxl s ASN 19 Cb -0.17 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.25 39.49 1uxl s ASN 19 CO 0.07 0.19 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.28 1uxl s PHE 20 N -1.37 1.26 -0.05 2.20 0.08 -0.14 -1.03 117.98 118.93 1uxl s PHE 20 Ca 0.29 -0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 1uxl s PHE 20 Cb -0.12 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1uxl s PHE 20 CO 0.22 -0.01 0.12 -2.00 -0.10 0.00 0.00 175.22 173.45 1uxl s GLU 21 N -0.52 0.08 -0.28 0.44 2.12 -0.31 -1.64 118.70 118.59 1uxl s GLU 21 Ca 0.05 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1uxl s GLU 21 Cb -0.06 -0.14 0.08 0.00 0.26 0.00 0.00 34.13 34.27 1uxl s GLU 21 CO -0.00 -0.14 0.03 -1.14 -0.54 0.00 0.00 175.26 173.47 1uxl s GLN 22 N 0.93 1.17 0.24 4.30 0.74 -0.01 -0.37 119.66 126.67 1uxl s GLN 22 Ca -0.07 -1.13 -0.02 0.00 0.05 0.00 0.00 55.36 54.19 1uxl s GLN 22 Cb -0.10 -2.45 0.28 0.00 1.10 0.00 0.00 33.01 31.85 1uxl s GLN 22 CO -0.04 -0.80 1.68 -0.22 -0.55 0.00 0.00 175.29 175.36 1uxl h LYS 23 N 7.97 0.70 -5.15 1.67 3.64 -1.83 -1.09 116.57 122.47 1uxl h LYS 23 Ca -0.14 -0.25 -0.37 0.00 -1.27 0.00 0.00 60.65 58.62 1uxl h LYS 23 Cb 1.05 -0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.62 1uxl h LYS 23 CO 0.45 0.83 -0.76 -1.21 -2.27 0.00 0.00 179.45 176.49 1uxl s GLU 24 N -4.66 0.80 0.27 1.90 0.41 -1.26 -4.04 118.70 112.11 1uxl s GLU 24 Ca -0.09 -0.99 -0.31 0.00 -0.41 0.00 0.00 54.97 53.18 1uxl s GLU 24 Cb 0.14 -0.69 -0.13 0.00 -1.78 0.00 0.00 34.13 31.67 1uxl s GLU 24 CO 0.82 0.14 1.47 -1.13 -0.49 0.00 0.00 175.26 176.07 1uxl n SER 25 N 1.09 3.19 -0.43 -0.19 3.41 -1.26 -1.19 113.62 118.24 1uxl n SER 25 Ca -0.20 1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 59.50 1uxl n SER 25 Cb 0.55 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.98 1uxl n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uxl n ASN 26 N 2.06 -5.80 -4.20 4.04 4.05 -1.26 -4.97 115.26 109.18 1uxl n ASN 26 Ca 0.10 0.14 -0.23 0.00 0.45 0.00 0.00 54.58 55.04 1uxl n ASN 26 Cb 0.34 -3.79 0.13 0.00 1.23 0.00 0.00 39.78 37.69 1uxl n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1uxl n GLY 27 N 0.52 0.07 3.75 8.20 0.00 -0.34 -5.04 105.19 112.35 1uxl n GLY 27 Ca -0.06 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1uxl n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 28 N -2.96 1.95 -4.14 1.61 -0.04 -1.26 -4.83 135.00 125.32 1uxl n PRO 28 Ca 0.15 0.70 -0.35 0.00 -0.04 0.00 0.00 63.50 63.97 1uxl n PRO 28 Cb 0.55 -2.60 -0.13 0.00 -0.04 0.00 0.00 33.50 31.28 1uxl n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxl s VAL 29 N -1.24 3.83 0.06 0.52 1.01 0.15 -4.27 120.40 120.46 1uxl s VAL 29 Ca 0.67 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 1uxl s VAL 29 Cb -0.43 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1uxl s VAL 29 CO 0.53 0.44 0.79 -0.54 0.00 0.00 0.00 175.10 176.33 1uxl s LYS 30 N 0.92 4.53 -0.17 2.72 1.02 0.50 -1.44 119.74 127.82 1uxl s LYS 30 Ca 0.01 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.13 1uxl s LYS 30 Cb -0.14 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1uxl s LYS 30 CO 0.02 0.30 -0.12 0.08 -0.92 0.00 0.00 175.35 174.70 1uxl s VAL 31 N -0.14 1.56 0.05 3.17 1.01 0.58 -1.17 120.40 125.47 1uxl s VAL 31 Ca 0.39 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1uxl s VAL 31 Cb -0.21 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1uxl s VAL 31 CO 0.24 0.33 0.27 -1.66 0.00 0.00 0.00 175.10 174.28 1uxl s TRP 32 N 1.47 -0.04 -5.00 5.22 -2.14 -0.20 -0.49 118.94 117.76 1uxl s TRP 32 Ca 0.02 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.61 1uxl s TRP 32 Cb -0.14 0.05 0.00 0.00 -3.10 0.00 0.00 33.47 30.28 1uxl s TRP 32 CO -0.10 -0.51 0.00 0.41 -2.66 0.00 0.00 176.95 174.10 1uxl n GLY 33 N 0.46 -0.14 3.03 3.67 0.00 -0.84 0.46 105.19 111.83 1uxl n GLY 33 Ca -0.18 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 0.20 -0.07 1.61 0.15 -1.03 -0.35 113.70 110.21 1uxl s SER 34 Ca 0.00 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1uxl s SER 34 Cb 0.00 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1uxl s SER 34 CO 0.00 -0.35 -0.08 -0.63 1.20 0.00 0.00 173.24 173.37 1uxl s ILE 35 N -1.70 0.89 0.39 6.45 1.01 -0.32 -2.37 121.20 125.55 1uxl s ILE 35 Ca -0.13 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1uxl s ILE 35 Cb -0.08 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1uxl s ILE 35 CO -0.01 0.31 0.14 -1.59 0.00 0.00 0.00 174.94 173.79 1uxl s LYS 36 N 1.05 2.21 0.00 2.79 -2.85 0.36 -0.01 119.74 123.30 1uxl s LYS 36 Ca -0.08 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.11 1uxl s LYS 36 Cb -0.14 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1uxl s LYS 36 CO -0.01 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1uxl n GLY 37 N -1.16 0.58 3.93 0.59 0.00 -0.94 -1.92 105.19 106.27 1uxl n GLY 37 Ca -0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 4.28 0.51 0.99 1.43 -0.84 -4.29 118.68 120.75 1uxl s LEU 38 Ca 0.00 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 1uxl s LEU 38 Cb 0.00 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.08 1uxl s LEU 38 CO 0.00 0.01 1.14 0.42 0.23 0.00 0.00 176.35 178.15 1uxl s THR 39 N -1.78 3.17 0.28 5.49 -4.23 -1.26 -4.16 115.64 113.14 1uxl s THR 39 Ca 0.37 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.37 1uxl s THR 39 Cb -0.11 -3.35 -0.13 0.00 1.34 0.00 0.00 72.50 70.24 1uxl s THR 39 CO 0.28 -0.10 1.37 1.21 -0.54 0.00 0.00 174.62 176.84 1uxl n GLU 40 N -0.95 2.08 0.00 3.99 2.13 -1.26 -4.58 120.64 122.05 1uxl n GLU 40 Ca 0.10 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1uxl n GLU 40 Cb 0.50 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 1.69 0.36 3.78 8.31 0.00 -0.24 -4.91 105.19 114.17 1uxl n GLY 41 Ca 0.09 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 4.46 -0.03 0.99 1.02 -1.26 -0.45 118.68 123.41 1uxl s LEU 42 Ca 0.00 1.69 -0.01 0.00 0.02 0.00 0.00 54.13 55.83 1uxl s LEU 42 Cb 0.00 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.60 1uxl s LEU 42 CO 0.00 0.07 0.05 -1.00 0.02 0.00 0.00 176.35 175.49 1uxl s HIS 43 N -1.39 0.02 0.50 0.29 3.76 -0.21 -3.11 115.29 115.14 1uxl s HIS 43 Ca 0.43 0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 55.31 1uxl s HIS 43 Cb -0.21 -0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.12 1uxl s HIS 43 CO 0.25 -0.12 1.14 0.41 -0.85 0.00 0.00 174.74 175.57 1uxl n GLY 44 N 4.49 0.17 2.66 -2.22 0.00 0.02 -1.10 105.19 109.20 1uxl n GLY 44 Ca -0.21 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1uxl n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uxl s PHE 45 N -1.33 0.04 0.04 1.61 5.36 0.41 -0.77 117.98 123.34 1uxl s PHE 45 Ca 0.68 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.53 1uxl s PHE 45 Cb -0.47 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 1uxl s PHE 45 CO 0.52 -0.52 0.00 -1.01 -1.46 0.00 0.00 175.22 172.76 1uxl s HIS 46 N 2.20 0.38 -0.25 10.12 3.76 -0.62 -2.36 115.29 128.51 1uxl s HIS 46 Ca 0.04 -0.80 -0.16 0.00 -0.15 0.00 0.00 55.06 53.99 1uxl s HIS 46 Cb -0.16 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1uxl s HIS 46 CO -0.10 -0.33 0.41 0.08 -0.85 0.00 0.00 174.74 173.95 1uxl s VAL 47 N -3.01 5.16 0.28 -0.90 1.01 -0.03 -0.75 120.40 122.15 1uxl s VAL 47 Ca -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1uxl s VAL 47 Cb 0.01 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1uxl s VAL 47 CO -0.07 0.16 0.49 -1.00 0.00 0.00 0.00 175.10 174.68 1uxl s HIS 48 N 1.95 3.49 0.15 5.22 3.76 0.11 -1.41 115.29 128.55 1uxl s HIS 48 Ca 0.17 0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 55.33 1uxl s HIS 48 Cb -0.15 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.63 1uxl s HIS 48 CO 0.09 0.24 1.79 1.49 -0.85 0.00 0.00 174.74 177.50 1uxl h GLU 49 N 1.43 0.57 -5.69 1.40 4.81 -0.94 -2.59 114.58 113.57 1uxl h GLU 49 Ca -0.49 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 58.04 1uxl h GLU 49 Cb 1.20 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.32 1uxl h GLU 49 CO 0.65 0.41 -0.58 -0.06 -0.73 0.00 0.00 179.01 178.70 1uxl s PHE 50 N -6.02 3.27 -0.24 0.92 0.08 -0.29 -4.61 117.98 111.08 1uxl s PHE 50 Ca -0.13 0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 1uxl s PHE 50 Cb 0.11 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1uxl s PHE 50 CO 0.73 0.42 3.01 0.41 -0.10 0.00 0.00 175.22 179.70 1uxl n GLY 51 N 2.53 3.71 3.17 4.36 0.00 -1.01 -3.68 105.19 114.26 1uxl n GLY 51 Ca -0.18 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 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 1.07 5.06 -0.24 1.61 -1.08 -1.26 -4.94 116.67 116.88 1uxl s ASP 52 Ca 0.57 -1.47 0.13 0.00 -0.52 0.00 0.00 52.55 51.25 1uxl s ASP 52 Cb 0.33 -1.77 0.53 0.00 -1.46 0.00 0.00 42.92 40.55 1uxl s ASP 52 CO -0.11 -0.35 1.48 -3.20 0.52 0.00 0.00 175.17 173.51 1uxl n ASN 53 N 4.64 3.32 0.23 -0.34 2.85 -1.26 -3.04 115.26 121.66 1uxl n ASN 53 Ca -0.10 -3.37 0.07 0.00 -0.11 0.00 0.00 54.58 51.07 1uxl n ASN 53 Cb 0.43 -0.60 0.55 0.00 1.24 0.00 0.00 39.78 41.39 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1uxl h THR 54 N 1.45 0.99 -0.61 -0.44 1.35 -1.92 -1.94 112.91 111.78 1uxl h THR 54 Ca 0.13 -0.69 -0.44 0.00 -0.55 0.00 0.00 66.41 64.87 1uxl h THR 54 Cb 1.64 1.39 -0.31 0.00 -1.73 0.00 0.00 68.15 69.13 1uxl h THR 54 CO 0.35 0.19 -0.54 0.00 -0.25 0.00 0.00 175.52 175.27 1uxl n ALA 55 N -2.44 4.85 -0.84 6.62 0.00 -1.26 -5.07 120.51 122.38 1uxl n ALA 55 Ca -0.02 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1uxl n ALA 55 Cb 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.84 1.07 0.29 0.00 0.00 -0.73 -3.01 105.19 101.97 1uxl n GLY 56 Ca 0.41 -0.65 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 1.11 -0.16 0.00 2.02 -1.87 -2.63 112.91 111.38 1uxl h THR 58 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1uxl h THR 58 Cb 0.34 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1uxl h THR 58 CO 0.00 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 1uxl n SER 59 N -4.32 1.29 0.02 4.18 3.41 -1.15 -3.64 113.62 113.40 1uxl n SER 59 Ca -0.02 -1.72 0.09 0.00 -0.26 0.00 0.00 58.87 56.96 1uxl n SER 59 Cb 0.23 -0.10 0.41 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.10 1.85 -0.28 7.33 0.00 -0.99 -4.43 120.51 124.07 1uxl n ALA 60 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1uxl n ALA 60 Cb 0.25 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.41 -1.12 3.81 0.00 0.00 -1.24 -1.14 105.19 105.91 1uxl n GLY 61 Ca 0.04 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.18 -1.45 -1.92 1.61 -0.04 -1.26 -4.62 135.00 127.14 1uxl n PRO 62 Ca 0.00 -2.02 -0.38 0.00 -0.04 0.00 0.00 63.50 61.05 1uxl n PRO 62 Cb 0.00 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.82 2.47 -0.08 0.54 3.76 -1.26 -0.90 115.29 115.99 1uxl s HIS 63 Ca 0.75 1.41 -0.29 0.00 -0.15 0.00 0.00 55.06 56.77 1uxl s HIS 63 Cb -0.02 -3.70 -0.07 0.00 1.11 0.00 0.00 32.58 29.90 1uxl s HIS 63 CO 0.53 -2.51 2.02 0.12 -0.85 0.00 0.00 174.74 174.04 1uxl s PHE 64 N -1.36 1.33 -0.41 1.40 5.36 -0.50 -4.49 117.98 119.31 1uxl s PHE 64 Ca 0.68 0.00 0.08 0.00 -0.96 0.00 0.00 56.93 56.74 1uxl s PHE 64 Cb -0.37 -4.10 0.28 0.00 -0.34 0.00 0.00 43.02 38.48 1uxl s PHE 64 CO 0.45 -4.76 0.67 -1.71 -1.46 0.00 0.00 175.22 168.41 1uxl n ASN 65 N 9.09 -0.32 0.24 6.13 5.15 -1.26 -1.90 115.26 132.39 1uxl n ASN 65 Ca 0.23 -2.93 0.16 0.00 -0.60 0.00 0.00 54.58 51.44 1uxl n ASN 65 Cb 0.43 -0.08 0.67 0.00 -0.53 0.00 0.00 39.78 40.27 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 3.70 0.00 0.00 1.20 0.13 -1.94 -2.87 132.00 132.21 1uxl h PRO 66 Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1uxl h PRO 66 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1uxl h PRO 66 CO 0.43 0.00 -1.44 1.28 -0.23 0.00 0.00 178.00 178.04 1uxl n LEU 67 N -2.81 0.59 -0.39 1.56 7.99 -1.26 -4.96 117.00 117.71 1uxl n LEU 67 Ca 0.01 0.24 -0.04 0.00 -0.01 0.00 0.00 56.01 56.20 1uxl n LEU 67 Cb 0.26 0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.58 1uxl n LEU 67 CO 0.24 -0.02 -0.05 -1.20 -1.51 0.00 0.00 177.39 174.86 1uxl n SER 68 N -2.63 -3.08 -4.85 -1.43 7.64 -1.09 -5.03 113.62 103.15 1uxl n SER 68 Ca -0.05 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1uxl n SER 68 Cb 0.67 -1.43 0.05 0.00 -1.01 0.00 0.00 64.21 62.49 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 -2.94 2.74 0.69 1.43 0.52 -1.26 -5.06 118.95 115.07 1uxl s ARG 69 Ca 0.00 0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 55.74 1uxl s ARG 69 Cb 0.00 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.51 1uxl s ARG 69 CO 0.00 -1.15 1.04 0.15 0.02 0.00 0.00 175.30 175.36 1uxl s LYS 70 N -5.23 2.59 0.45 3.54 1.02 -1.26 -4.65 119.74 116.19 1uxl s LYS 70 Ca 0.58 0.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.46 1uxl s LYS 70 Cb -0.12 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 1uxl s LYS 70 CO 0.53 -1.08 1.25 -1.58 -0.92 0.00 0.00 175.35 173.55 1uxl s HIS 71 N -3.27 2.78 0.01 3.18 5.65 -0.57 -3.01 115.29 120.05 1uxl s HIS 71 Ca 0.58 1.47 -0.00 0.00 0.25 0.00 0.00 55.06 57.35 1uxl s HIS 71 Cb -0.11 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 1uxl s HIS 71 CO 0.48 -1.93 0.02 0.41 -0.65 0.00 0.00 174.74 173.08 1uxl n GLY 72 N 0.60 2.11 3.97 1.59 0.00 -1.25 -4.33 105.19 107.88 1uxl n GLY 72 Ca 0.06 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.07 1.73 0.38 -0.02 0.00 -1.21 -4.66 107.32 102.47 1uxl s GLY 73 Ca 0.01 -1.30 0.07 0.00 0.00 0.00 0.00 44.72 43.50 1uxl s GLY 73 CO 0.00 -1.09 1.97 -0.56 0.00 0.00 0.00 173.10 173.43 1uxl h PRO 74 N 0.34 0.45 -0.19 2.90 0.13 -1.86 -2.15 132.00 131.62 1uxl h PRO 74 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1uxl h PRO 74 Cb 1.28 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uxl h PRO 74 CO 0.53 0.41 0.00 1.63 -0.23 0.00 0.00 178.00 180.34 1uxl n LYS 75 N -4.37 1.62 -3.16 0.86 5.02 -1.26 -4.86 118.16 112.02 1uxl n LYS 75 Ca 0.01 -0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 55.01 1uxl n LYS 75 Cb 0.17 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1uxl n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uxl s ASP 76 N -1.38 6.94 0.03 4.39 1.01 -0.81 -4.99 116.67 121.85 1uxl s ASP 76 Ca 0.27 1.32 -0.09 0.00 0.71 0.00 0.00 52.55 54.76 1uxl s ASP 76 Cb 0.14 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1uxl s ASP 76 CO 0.21 -0.02 1.15 -0.33 0.21 0.00 0.00 175.17 176.39 1uxl h GLU 77 N 3.10 -0.20 -6.59 8.23 5.08 -1.89 -3.40 114.58 118.91 1uxl h GLU 77 Ca -0.48 0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.33 1uxl h GLU 77 Cb 1.19 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1uxl h GLU 77 CO 0.65 -0.14 1.02 -2.00 -1.00 0.00 0.00 179.01 177.55 1uxl s GLU 78 N -3.73 3.60 0.19 2.33 2.12 -1.26 -4.95 118.70 117.00 1uxl s GLU 78 Ca -0.04 0.75 -0.23 0.00 0.36 0.00 0.00 54.97 55.80 1uxl s GLU 78 Cb 0.01 -3.99 0.05 0.00 0.26 0.00 0.00 34.13 30.46 1uxl s GLU 78 CO 0.16 -1.54 0.75 -0.98 -0.54 0.00 0.00 175.26 173.11 1uxl s ARG 79 N 4.82 1.44 0.44 4.30 1.70 -1.19 -3.87 118.95 126.59 1uxl s ARG 79 Ca 0.55 -0.71 -0.16 0.00 -0.47 0.00 0.00 55.73 54.94 1uxl s ARG 79 Cb -0.11 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.73 1uxl s ARG 79 CO 0.32 -0.65 0.89 -1.01 -1.08 0.00 0.00 175.30 173.77 1uxl s HIS 80 N -3.68 3.41 0.34 5.89 3.76 -1.17 -4.58 115.29 119.27 1uxl s HIS 80 Ca 0.08 1.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 1uxl s HIS 80 Cb -0.03 -2.69 0.68 0.00 1.11 0.00 0.00 32.58 31.65 1uxl s HIS 80 CO -0.01 -0.18 1.91 0.28 -0.85 0.00 0.00 174.74 175.89 1uxl h VAL 81 N 1.35 0.98 -0.01 -0.90 2.07 -1.84 -1.94 116.25 115.96 1uxl h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1uxl h VAL 81 Cb 1.18 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1uxl h VAL 81 CO 0.62 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1uxl n GLY 82 N -1.42 -0.96 3.54 2.17 0.00 -0.80 -4.36 105.19 103.37 1uxl n GLY 82 Ca 0.14 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 6.17 -0.12 1.61 1.01 -0.73 -0.85 116.67 122.13 1uxl s ASP 83 Ca 0.30 -0.53 0.16 0.00 0.71 0.00 0.00 52.55 53.20 1uxl s ASP 83 Cb 0.14 -2.55 0.58 0.00 1.01 0.00 0.00 42.92 42.10 1uxl s ASP 83 CO 0.23 -1.80 1.50 0.18 0.21 0.00 0.00 175.17 175.49 1uxl n LEU 84 N 9.25 4.18 0.00 1.23 4.77 -1.00 -3.44 117.00 131.99 1uxl n LEU 84 Ca 0.04 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 1uxl n LEU 84 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1uxl n LEU 84 CO 0.70 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1uxl n GLY 85 N 0.45 1.07 3.34 -0.72 0.00 -1.19 -4.76 105.19 103.37 1uxl n GLY 85 Ca 0.21 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 3.03 0.23 1.61 0.01 -1.26 -0.44 114.94 114.12 1uxl s ASN 86 Ca 0.00 -0.66 0.06 0.00 -0.71 0.00 0.00 52.86 51.55 1uxl s ASN 86 Cb 0.00 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 1uxl s ASN 86 CO 0.00 0.18 0.21 0.68 -1.51 0.00 0.00 177.10 176.66 1uxl s VAL 87 N -0.97 4.57 -0.18 1.60 -7.23 -0.26 -4.90 120.40 113.03 1uxl s VAL 87 Ca 0.11 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1uxl s VAL 87 Cb -0.10 -3.44 0.02 0.00 0.56 0.00 0.00 36.38 33.42 1uxl s VAL 87 CO 0.04 -0.30 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.44 1uxl s THR 88 N -2.04 2.05 0.03 5.32 2.01 -1.26 -1.05 115.64 120.70 1uxl s THR 88 Ca 0.33 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 1uxl s THR 88 Cb -0.08 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.52 1uxl s THR 88 CO 0.25 0.54 0.53 0.00 -0.69 0.00 0.00 174.62 175.25 1uxl s ALA 89 N 1.25 3.59 0.93 7.40 0.00 0.40 -4.17 121.76 131.14 1uxl s ALA 89 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1uxl s ALA 89 Cb -0.13 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.45 1uxl s ALA 89 CO -0.12 0.35 0.38 -0.40 0.00 0.00 0.00 175.76 175.97 1uxl n ASP 90 N 2.06 0.08 0.26 0.00 5.68 -0.13 -1.08 116.55 123.42 1uxl n ASP 90 Ca -0.10 -1.17 0.18 0.00 -0.50 0.00 0.00 54.79 53.19 1uxl n ASP 90 Cb 0.51 -0.28 0.85 0.00 -1.14 0.00 0.00 41.12 41.05 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 -0.48 0.11 2.10 -1.97 -1.16 116.57 115.17 1uxl h LYS 91 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1uxl h LYS 91 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1uxl h LYS 91 CO 0.09 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 1uxl n ASP 92 N -2.83 2.87 0.00 7.07 8.00 -1.26 -4.87 116.55 125.52 1uxl n ASP 92 Ca -0.01 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1uxl n ASP 92 Cb 0.16 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.37 0.50 3.56 0.44 0.00 -0.44 -4.78 105.19 105.84 1uxl n GLY 93 Ca 0.18 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 4.47 -0.34 1.61 1.01 -1.26 -2.00 120.40 121.90 1uxl s VAL 94 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1uxl s VAL 94 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1uxl s VAL 94 CO 0.00 0.44 0.16 0.00 0.00 0.00 0.00 175.10 175.70 1uxl s ALA 95 N 0.67 3.20 -0.25 5.51 0.00 0.99 -0.96 121.76 130.92 1uxl s ALA 95 Ca 0.02 -1.61 -0.21 0.00 0.00 0.00 0.00 51.96 50.17 1uxl s ALA 95 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1uxl s ALA 95 CO 0.02 -1.20 0.64 -0.51 0.00 0.00 0.00 175.76 174.71 1uxl s ASP 96 N 1.53 6.60 -0.18 0.00 1.01 -1.26 -1.17 116.67 123.19 1uxl s ASP 96 Ca 0.02 0.73 -0.09 0.00 0.71 0.00 0.00 52.55 53.92 1uxl s ASP 96 Cb -0.18 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1uxl s ASP 96 CO 0.05 -0.38 0.12 -0.69 0.21 0.00 0.00 175.17 174.48 1uxl s VAL 97 N 2.53 5.31 -0.22 -1.27 1.01 0.52 -4.83 120.40 123.44 1uxl s VAL 97 Ca 0.27 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1uxl s VAL 97 Cb -0.15 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1uxl s VAL 97 CO 0.08 0.47 0.28 -0.55 0.00 0.00 0.00 175.10 175.39 1uxl s SER 98 N 0.12 1.01 0.02 3.32 0.15 -1.25 -1.98 113.70 115.08 1uxl s SER 98 Ca 0.08 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1uxl s SER 98 Cb -0.11 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1uxl s SER 98 CO -0.01 -0.32 -0.04 -0.63 1.20 0.00 0.00 173.24 173.44 1uxl s ILE 99 N 2.41 0.19 -0.08 6.45 1.01 0.36 -5.00 121.20 126.53 1uxl s ILE 99 Ca 0.09 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1uxl s ILE 99 Cb -0.15 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.02 1uxl s ILE 99 CO -0.15 -0.42 -0.12 -1.61 0.00 0.00 0.00 174.94 172.65 1uxl s GLU 100 N -1.32 1.70 0.01 2.79 2.02 -1.26 -0.30 118.70 122.35 1uxl s GLU 100 Ca -0.13 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1uxl s GLU 100 Cb -0.09 -1.47 -0.01 0.00 0.10 0.00 0.00 34.13 32.66 1uxl s GLU 100 CO -0.01 -0.03 -0.07 0.34 0.02 0.00 0.00 175.26 175.51 1uxl s ASP 101 N 0.88 0.80 0.00 -0.19 2.15 -0.52 -4.95 116.67 114.84 1uxl s ASP 101 Ca -0.10 -0.26 0.07 0.00 0.43 0.00 0.00 52.55 52.68 1uxl s ASP 101 Cb -0.15 -0.05 0.14 0.00 -0.30 0.00 0.00 42.92 42.57 1uxl s ASP 101 CO 0.01 -0.01 1.00 -1.20 -0.17 0.00 0.00 175.17 174.80 1uxl n SER 102 N 2.43 2.23 -0.13 -0.34 7.64 -1.26 0.33 113.62 124.52 1uxl n SER 102 Ca -0.16 -1.75 -0.19 0.00 1.01 0.00 0.00 58.87 57.78 1uxl n SER 102 Cb 0.57 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.23 1.43 -1.32 0.44 0.31 -1.26 -4.84 118.33 113.31 1uxl n VAL 103 Ca 0.06 -0.52 -0.31 0.00 -0.01 0.00 0.00 64.34 63.56 1uxl n VAL 103 Cb 0.29 -1.44 0.09 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.50 3.33 0.17 2.52 -4.36 -1.26 -4.91 121.20 114.20 1uxl s ILE 104 Ca -0.34 0.45 -0.09 0.00 -0.26 0.00 0.00 60.65 60.41 1uxl s ILE 104 Cb 0.09 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1uxl s ILE 104 CO 0.56 -0.55 0.29 -0.55 0.24 0.00 0.00 174.94 174.93 1uxl s SER 105 N -3.31 0.03 -0.21 4.36 0.15 -1.11 -4.70 113.70 108.91 1uxl s SER 105 Ca 0.62 -0.88 0.15 0.00 0.70 0.00 0.00 55.95 56.54 1uxl s SER 105 Cb -0.17 0.44 0.73 0.00 -1.71 0.00 0.00 66.02 65.30 1uxl s SER 105 CO 0.54 -0.90 1.64 0.18 1.20 0.00 0.00 173.24 175.90 1uxl n LEU 106 N -0.22 5.11 -3.67 3.45 4.77 -1.26 -1.14 117.00 124.04 1uxl n LEU 106 Ca -0.07 -2.93 -0.07 0.00 -0.03 0.00 0.00 56.01 52.90 1uxl n LEU 106 Cb 0.63 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1uxl n LEU 106 CO 0.24 0.65 0.57 -0.94 -1.33 0.00 0.00 177.39 176.59 1uxl s SER 107 N -1.16 -0.32 0.00 -1.43 1.04 -1.26 -4.89 113.70 105.68 1uxl s SER 107 Ca 0.50 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1uxl s SER 107 Cb 0.39 0.57 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1uxl s SER 107 CO 0.14 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1uxl n GLY 108 N -0.41 -2.33 0.30 7.32 0.00 -1.26 -3.39 105.19 105.43 1uxl n GLY 108 Ca -0.08 -1.61 0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -0.65 1.61 3.32 -2.01 -1.42 116.42 117.27 1uxl h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uxl h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxl h ASP 109 CO 0.00 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 178.97 1uxl n HIS 110 N -3.31 1.29 -1.71 4.55 8.25 -1.26 -5.00 115.22 118.03 1uxl n HIS 110 Ca -0.02 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.43 1uxl n HIS 110 Cb 0.17 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 3.44 0.00 -2.08 0.00 -5.35 -0.29 -4.91 119.36 110.17 1uxl n ILE 112 Ca 0.15 -0.12 -0.39 0.00 -0.27 0.00 0.00 62.75 62.12 1uxl n ILE 112 Cb 0.34 1.08 -0.01 0.00 -1.74 0.00 0.00 39.64 39.32 1uxl n ILE 112 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1uxl s THR 113 N -2.76 2.67 0.00 7.28 2.01 -1.26 -1.53 115.64 122.04 1uxl s THR 113 Ca 0.13 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1uxl s THR 113 Cb 0.17 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1uxl s THR 113 CO 0.73 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 1uxl n GLY 114 N 0.66 1.21 1.63 4.40 0.00 0.64 -4.99 105.19 108.75 1uxl n GLY 114 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 1.07 -5.03 1.61 1.74 -0.58 -2.39 116.66 111.07 1uxl n ARG 115 Ca 0.00 -1.43 -0.32 0.00 -0.77 0.00 0.00 57.85 55.32 1uxl n ARG 115 Cb 0.00 0.09 -0.16 0.00 -1.02 0.00 0.00 32.46 31.37 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 -1.00 2.46 -0.04 0.55 2.01 -0.97 -1.00 115.64 117.64 1uxl s THR 116 Ca 0.16 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1uxl s THR 116 Cb -0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1uxl s THR 116 CO 0.10 0.55 0.47 -0.22 -0.69 0.00 0.00 174.62 174.83 1uxl s LEU 117 N 0.35 4.39 -0.03 4.42 2.96 -0.43 0.05 118.68 130.39 1uxl s LEU 117 Ca -0.16 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1uxl s LEU 117 Cb -0.17 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 43.82 1uxl s LEU 117 CO 0.08 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 1uxl s VAL 118 N -0.29 0.77 -0.09 1.68 1.01 0.07 -2.04 120.40 121.51 1uxl s VAL 118 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1uxl s VAL 118 Cb -0.17 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1uxl s VAL 118 CO 0.13 0.25 -0.07 0.54 0.00 0.00 0.00 175.10 175.95 1uxl s VAL 119 N 0.27 3.66 0.36 2.92 0.11 -0.68 -1.59 120.40 125.45 1uxl s VAL 119 Ca -0.04 -0.48 0.08 0.00 -2.93 0.00 0.00 61.98 58.60 1uxl s VAL 119 Cb -0.09 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 1uxl s VAL 119 CO 0.01 0.58 0.31 -1.00 -3.33 0.00 0.00 175.10 171.67 1uxl s HIS 120 N -0.52 2.85 0.15 1.54 3.76 0.05 -1.03 115.29 122.09 1uxl s HIS 120 Ca 0.08 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 1uxl s HIS 120 Cb -0.12 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.71 1uxl s HIS 120 CO 0.02 0.11 1.74 1.49 -0.85 0.00 0.00 174.74 177.24 1uxl h GLU 121 N 1.19 0.67 -5.09 1.40 4.81 -0.85 -3.38 114.58 113.34 1uxl h GLU 121 Ca -0.44 -0.09 -0.64 0.00 -0.13 0.00 0.00 59.36 58.06 1uxl h GLU 121 Cb 1.26 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.38 1uxl h GLU 121 CO 0.58 0.56 -0.50 0.15 -0.73 0.00 0.00 179.01 179.07 1uxl s LYS 122 N -5.74 2.13 0.40 1.92 1.02 0.18 -4.91 119.74 114.75 1uxl s LYS 122 Ca -0.13 -2.35 -0.25 0.00 0.02 0.00 0.00 55.97 53.25 1uxl s LYS 122 Cb 0.11 -1.12 -0.08 0.00 -0.52 0.00 0.00 37.83 36.22 1uxl s LYS 122 CO 0.76 -0.46 1.17 0.00 -0.92 0.00 0.00 175.35 175.90 1uxl s ALA 123 N -3.01 3.15 -0.08 5.17 0.00 -1.18 -0.80 121.76 125.01 1uxl s ALA 123 Ca 0.10 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 1uxl s ALA 123 Cb 0.01 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1uxl s ALA 123 CO 0.07 -0.54 0.86 0.34 0.00 0.00 0.00 175.76 176.49 1uxl s ASP 124 N -1.13 7.13 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.35 1uxl s ASP 124 Ca 0.57 1.38 0.20 0.00 -0.52 0.00 0.00 52.55 54.18 1uxl s ASP 124 Cb -0.31 -2.49 1.00 0.00 -1.46 0.00 0.00 42.92 39.66 1uxl s ASP 124 CO 0.39 -0.28 1.67 -0.90 0.52 0.00 0.00 175.17 176.57 1uxl n ASP 125 N 4.34 0.57 -1.80 -0.34 5.68 -0.41 -4.87 116.55 119.72 1uxl n ASP 125 Ca 0.04 -1.51 -0.19 0.00 -0.50 0.00 0.00 54.79 52.63 1uxl n ASP 125 Cb 0.50 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.42 -1.62 -0.04 -2.12 4.77 -1.26 -2.38 117.00 113.93 1uxl n LEU 126 Ca 0.15 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1uxl n LEU 126 Cb 0.16 -2.67 -0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1uxl n LEU 126 CO 0.11 -0.59 -0.01 0.61 -1.33 0.00 0.00 177.39 176.19 1uxl n GLY 127 N -0.84 0.48 0.94 -0.72 0.00 -1.26 -3.36 105.19 100.43 1uxl n GLY 127 Ca -0.21 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.77 3.03 0.00 1.61 4.76 -1.00 -4.63 118.16 119.16 1uxl n LYS 128 Ca -0.01 -2.43 0.12 0.00 -2.87 0.00 0.00 58.31 53.13 1uxl n LYS 128 Cb 0.04 -1.53 0.59 0.00 -1.84 0.00 0.00 35.03 32.30 1uxl n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uxl n GLY 129 N 0.55 -1.27 2.53 0.72 0.00 -1.26 -4.94 105.19 101.52 1uxl n GLY 129 Ca 0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1uxl n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxl n GLY 130 N 1.02 0.04 3.36 -0.02 0.00 -1.26 -5.00 105.19 103.34 1uxl n GLY 130 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.95 -0.01 0.24 1.61 2.20 -1.26 -5.06 114.94 109.71 1uxl s ASN 131 Ca 0.22 -0.79 -0.04 0.00 -0.94 0.00 0.00 52.86 51.32 1uxl s ASN 131 Cb -0.10 0.46 0.43 0.00 -2.00 0.00 0.00 41.25 40.04 1uxl s ASN 131 CO 0.28 -0.91 1.76 -0.08 -2.94 0.00 0.00 177.10 175.20 1uxl h GLU 132 N 2.49 0.54 -0.79 3.55 4.81 -2.01 -2.27 114.58 120.90 1uxl h GLU 132 Ca -0.31 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1uxl h GLU 132 Cb 1.23 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1uxl h GLU 132 CO 0.47 0.36 0.42 0.93 -0.73 0.00 0.00 179.01 180.45 1uxl h GLU 133 N 0.56 1.12 -0.99 1.92 4.39 -1.99 -2.80 114.58 116.78 1uxl h GLU 133 Ca 0.40 -0.14 0.20 0.00 0.34 0.00 0.00 59.36 60.17 1uxl h GLU 133 Cb 0.53 -0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 28.86 1uxl h GLU 133 CO -0.34 0.84 0.59 1.03 -1.16 0.00 0.00 179.01 179.96 1uxl h SER 134 N 1.11 0.73 0.61 1.42 0.87 -1.76 0.48 113.55 117.01 1uxl h SER 134 Ca 0.28 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1uxl h SER 134 Cb 0.06 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1uxl h SER 134 CO -0.04 0.22 0.00 0.35 -0.53 0.00 0.00 176.83 176.83 1uxl n THR 135 N -4.81 0.11 -0.06 2.23 -2.24 -1.06 -1.86 114.28 106.58 1uxl n THR 135 Ca 0.24 0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1uxl n THR 135 Cb 0.61 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1uxl n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uxl n LYS 136 N -1.33 0.40 -0.00 -0.78 5.02 0.13 -1.51 118.16 120.08 1uxl n LYS 136 Ca 0.12 0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.58 1uxl n LYS 136 Cb 0.24 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1uxl n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1uxl n THR 137 N -4.14 0.00 -0.88 -0.18 -2.24 0.10 -4.64 114.28 102.30 1uxl n THR 137 Ca -0.17 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1uxl n THR 137 Cb 0.47 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.96 0.59 3.54 3.38 0.00 -0.78 -4.18 105.19 109.70 1uxl n GLY 138 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.31 -0.48 1.61 3.02 -1.26 -1.29 115.26 111.55 1uxl n ASN 139 Ca 0.00 -0.54 0.09 0.00 -0.03 0.00 0.00 54.58 54.10 1uxl n ASN 139 Cb 0.00 -4.26 0.33 0.00 -0.61 0.00 0.00 39.78 35.25 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 -4.29 2.51 -0.31 5.41 0.00 -1.26 -4.76 120.51 117.81 1uxl n ALA 140 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1uxl n ALA 140 Cb 0.56 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.04 -0.46 3.73 0.00 0.00 -1.26 -0.64 105.19 107.60 1uxl n GLY 141 Ca 0.14 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 4.01 -0.47 1.61 1.04 -1.26 -4.60 113.70 110.03 1uxl s SER 142 Ca 0.00 2.02 -0.22 0.00 0.48 0.00 0.00 55.95 58.23 1uxl s SER 142 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1uxl s SER 142 CO 0.00 -2.37 0.76 -0.13 0.98 0.00 0.00 173.24 172.47 1uxl s ARG 143 N -4.62 3.34 0.08 4.02 0.52 -1.26 -0.77 118.95 120.25 1uxl s ARG 143 Ca 0.65 -0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 55.57 1uxl s ARG 143 Cb -0.21 -3.97 -0.27 0.00 0.52 0.00 0.00 34.95 31.02 1uxl s ARG 143 CO 0.54 -1.15 1.15 -0.07 0.02 0.00 0.00 175.30 175.79 1uxl h LEU 144 N 10.09 0.36 -7.06 2.53 3.38 -1.38 -3.47 115.31 119.76 1uxl h LEU 144 Ca -0.25 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 1uxl h LEU 144 Cb 1.09 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 1uxl h LEU 144 CO 0.96 1.31 0.15 0.00 0.09 0.00 0.00 178.44 180.94 1uxl s ALA 145 N -2.66 -1.61 0.25 1.53 0.00 -1.17 -4.10 121.76 114.00 1uxl s ALA 145 Ca -0.03 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 1uxl s ALA 145 Cb 0.07 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1uxl s ALA 145 CO 0.87 -0.47 0.61 0.00 0.00 0.00 0.00 175.76 176.77 1uxl s GLY 147 N -2.93 -0.57 0.12 0.00 0.00 -0.87 -1.47 107.32 101.61 1uxl s GLY 147 Ca 0.13 0.83 -0.28 0.00 0.00 0.00 0.00 44.72 45.40 1uxl s GLY 147 CO 0.04 0.41 0.88 0.14 0.00 0.00 0.00 173.10 174.58 1uxl s VAL 148 N -2.93 4.48 -0.23 1.40 1.01 -1.26 -1.31 120.40 121.56 1uxl s VAL 148 Ca -0.01 1.91 -0.26 0.00 0.00 0.00 0.00 61.98 63.62 1uxl s VAL 148 Cb -0.01 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1uxl s VAL 148 CO -0.06 0.38 0.89 -0.63 0.00 0.00 0.00 175.10 175.68 1uxl s ILE 149 N -0.33 4.79 0.23 2.22 1.01 -0.17 -4.51 121.20 124.45 1uxl s ILE 149 Ca 0.42 1.72 0.10 0.00 0.00 0.00 0.00 60.65 62.89 1uxl s ILE 149 Cb -0.23 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1uxl s ILE 149 CO 0.28 -0.09 -0.09 -0.83 0.00 0.00 0.00 174.94 174.21 1uxl s GLY 150 N 1.27 1.73 0.12 6.18 0.00 0.32 -0.26 107.32 116.68 1uxl s GLY 150 Ca 0.38 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.16 1uxl s GLY 150 CO 0.08 -1.68 1.43 -0.42 0.00 0.00 0.00 173.10 172.51 1uxl s ILE 151 N -2.10 3.19 0.28 0.90 1.01 -1.26 -0.83 121.20 122.39 1uxl s ILE 151 Ca 0.28 0.84 0.10 0.00 0.00 0.00 0.00 60.65 61.87 1uxl s ILE 151 Cb -0.07 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1uxl s ILE 151 CO 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 174.94 175.13 1uxl s ALA 152 N 1.22 3.10 -2.00 9.38 0.00 -0.46 -4.80 121.76 128.19 1uxl s ALA 152 Ca 0.66 -1.73 0.26 0.00 0.00 0.00 0.00 51.96 51.15 1uxl s ALA 152 Cb -0.38 -0.64 1.57 0.00 0.00 0.00 0.00 23.12 23.67 1uxl s ALA 152 CO 0.30 0.24 1.92 0.94 0.00 0.00 0.00 175.76 179.17