#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 3.45 0.02 0.00 2.01 -0.70 -4.88 115.64 115.54 1uxl s THR 2 Ca 0.00 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.23 1uxl s THR 2 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1uxl s THR 2 CO 0.00 0.12 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.47 1uxl s LYS 3 N -2.19 0.30 0.12 4.92 1.02 -1.26 -1.22 119.74 121.42 1uxl s LYS 3 Ca 0.55 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 56.07 1uxl s LYS 3 Cb -0.27 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1uxl s LYS 3 CO 0.35 0.00 0.07 0.00 -0.92 0.00 0.00 175.35 174.85 1uxl s ALA 4 N -0.95 0.72 0.04 5.17 0.00 -0.50 -1.63 121.76 124.60 1uxl s ALA 4 Ca -0.09 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.37 1uxl s ALA 4 Cb -0.07 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1uxl s ALA 4 CO -0.00 -0.49 0.29 0.54 0.00 0.00 0.00 175.76 176.10 1uxl s VAL 5 N -4.02 0.08 -0.09 0.00 0.11 0.05 -0.75 120.40 115.79 1uxl s VAL 5 Ca 0.21 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 1uxl s VAL 5 Cb 0.07 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1uxl s VAL 5 CO -0.00 -0.38 0.20 0.00 -3.33 0.00 0.00 175.10 171.59 1uxl s VAL 7 N 1.31 5.16 -0.12 0.00 1.01 -1.26 -0.81 120.40 125.69 1uxl s VAL 7 Ca -0.08 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1uxl s VAL 7 Cb -0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1uxl s VAL 7 CO -0.07 0.21 0.43 -0.76 0.00 0.00 0.00 175.10 174.90 1uxl s LEU 8 N 1.73 4.29 0.06 3.92 1.43 0.20 -3.97 118.68 126.34 1uxl s LEU 8 Ca 0.07 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1uxl s LEU 8 Cb -0.16 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.46 1uxl s LEU 8 CO 0.10 0.05 0.25 -0.54 0.23 0.00 0.00 176.35 176.44 1uxl s LYS 9 N 0.44 0.80 0.00 1.70 1.02 -0.63 -1.99 119.74 121.08 1uxl s LYS 9 Ca 0.24 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1uxl s LYS 9 Cb -0.15 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1uxl s LYS 9 CO 0.09 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1uxl n GLY 10 N 0.38 3.88 0.15 -3.33 0.00 -1.24 -0.90 105.19 104.13 1uxl n GLY 10 Ca -0.17 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.07 1.61 3.32 -1.92 -3.46 116.42 115.89 1uxl h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 1uxl n GLY 12 N 1.22 2.73 0.26 2.75 0.00 -1.26 -5.03 105.19 105.87 1uxl n GLY 12 Ca 0.01 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.29 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 1.24 -2.49 1.61 -0.04 -1.26 -4.89 135.00 129.16 1uxl n PRO 13 Ca 0.00 -0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 62.51 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 -2.13 4.27 -0.05 0.52 1.01 -1.26 -4.31 120.40 118.46 1uxl s VAL 14 Ca 0.38 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.71 1uxl s VAL 14 Cb 0.21 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1uxl s VAL 14 CO 0.39 0.08 0.58 0.00 0.00 0.00 0.00 175.10 176.14 1uxl s GLN 15 N 1.51 0.95 0.10 2.72 -2.07 -0.83 -3.64 119.66 118.39 1uxl s GLN 15 Ca 0.56 0.17 -0.26 0.00 -1.82 0.00 0.00 55.36 54.01 1uxl s GLN 15 Cb -0.26 0.44 0.09 0.00 -1.09 0.00 0.00 33.01 32.19 1uxl s GLN 15 CO 0.26 -0.28 1.12 0.20 -1.32 0.00 0.00 175.29 175.27 1uxl s GLY 16 N -1.17 -0.12 -0.06 2.60 0.00 -0.84 -0.64 107.32 107.09 1uxl s GLY 16 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.68 1uxl s GLY 16 CO 0.08 2.01 -0.10 -0.42 0.00 0.00 0.00 173.10 174.67 1uxl s ILE 17 N -2.43 0.98 -0.08 0.90 1.01 -0.92 -0.63 121.20 120.03 1uxl s ILE 17 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1uxl s ILE 17 Cb -0.00 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1uxl s ILE 17 CO 0.02 0.32 -0.18 -0.63 0.00 0.00 0.00 174.94 174.47 1uxl s ILE 18 N 0.77 1.58 0.09 2.92 -1.09 0.01 -2.26 121.20 123.22 1uxl s ILE 18 Ca -0.13 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 1uxl s ILE 18 Cb -0.15 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 1uxl s ILE 18 CO 0.02 0.45 0.12 0.20 -1.23 0.00 0.00 174.94 174.51 1uxl s ASN 19 N 0.52 5.71 -0.02 3.58 -0.87 0.70 -0.76 114.94 123.80 1uxl s ASN 19 Ca -0.16 0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.19 1uxl s ASN 19 Cb -0.17 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.25 39.48 1uxl s ASN 19 CO 0.06 0.15 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.28 1uxl s PHE 20 N -1.48 1.04 -0.05 2.20 0.40 0.07 -1.28 117.98 118.89 1uxl s PHE 20 Ca 0.31 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1uxl s PHE 20 Cb -0.12 -0.71 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1uxl s PHE 20 CO 0.24 -0.07 0.11 -2.00 0.70 0.00 0.00 175.22 174.19 1uxl s GLU 21 N 0.01 0.06 -0.28 0.44 2.12 -0.34 -1.42 118.70 119.28 1uxl s GLU 21 Ca -0.00 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.61 1uxl s GLU 21 Cb -0.07 -0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.24 1uxl s GLU 21 CO 0.00 -0.15 0.06 -1.14 -0.54 0.00 0.00 175.26 173.49 1uxl s GLN 22 N 1.00 0.94 0.22 4.30 0.74 -0.36 -0.43 119.66 126.06 1uxl s GLN 22 Ca -0.08 -1.04 -0.04 0.00 0.05 0.00 0.00 55.36 54.25 1uxl s GLN 22 Cb -0.11 -2.24 0.21 0.00 1.10 0.00 0.00 33.01 31.97 1uxl s GLN 22 CO -0.04 -0.86 1.64 0.87 -0.55 0.00 0.00 175.29 176.34 1uxl h LYS 23 N 8.04 0.75 -6.39 1.67 1.57 -1.83 -1.86 116.57 118.51 1uxl h LYS 23 Ca -0.14 -0.30 -0.69 0.00 -1.87 0.00 0.00 60.65 57.65 1uxl h LYS 23 Cb 1.04 -0.04 -0.29 0.00 0.08 0.00 0.00 32.23 33.03 1uxl h LYS 23 CO 0.44 0.90 -0.86 -1.21 -0.57 0.00 0.00 179.45 178.16 1uxl s GLU 24 N -4.60 2.33 0.17 3.15 2.02 -1.26 -4.26 118.70 116.24 1uxl s GLU 24 Ca -0.09 -0.86 -0.34 0.00 0.02 0.00 0.00 54.97 53.70 1uxl s GLU 24 Cb 0.13 -2.16 -0.14 0.00 0.10 0.00 0.00 34.13 32.06 1uxl s GLU 24 CO 0.83 0.53 1.53 -1.13 0.02 0.00 0.00 175.26 177.04 1uxl n SER 25 N 2.54 2.90 -1.85 -0.19 3.41 -1.26 -0.16 113.62 119.01 1uxl n SER 25 Ca -0.17 1.10 -0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1uxl n SER 25 Cb 0.52 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1uxl n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uxl n ASN 26 N 3.12 -3.64 -2.31 4.04 3.02 -1.26 -4.98 115.26 113.26 1uxl n ASN 26 Ca 0.16 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.94 1uxl n ASN 26 Cb 0.28 -3.26 0.01 0.00 -0.61 0.00 0.00 39.78 36.21 1uxl n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uxl n GLY 27 N -0.50 1.03 3.75 7.41 0.00 0.77 -5.06 105.19 112.59 1uxl n GLY 27 Ca -0.14 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1uxl n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uxl s PRO 28 N -2.61 2.86 -0.17 1.61 0.02 -1.26 -4.85 135.00 130.61 1uxl s PRO 28 Ca 0.08 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 1uxl s PRO 28 Cb -0.00 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 1uxl s PRO 28 CO 0.05 -1.32 -0.08 0.08 -0.33 0.00 0.00 177.00 175.39 1uxl s VAL 29 N -1.50 3.30 -0.10 3.83 1.01 0.60 -4.27 120.40 123.26 1uxl s VAL 29 Ca 0.79 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1uxl s VAL 29 Cb -0.33 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1uxl s VAL 29 CO 0.36 0.48 0.60 -0.75 0.00 0.00 0.00 175.10 175.80 1uxl s LYS 30 N 0.76 4.37 -0.14 2.72 2.20 0.42 -1.38 119.74 128.69 1uxl s LYS 30 Ca -0.04 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1uxl s LYS 30 Cb -0.15 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1uxl s LYS 30 CO 0.02 0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.95 1uxl s VAL 31 N 0.87 1.95 -0.01 4.02 1.01 0.11 -1.20 120.40 127.16 1uxl s VAL 31 Ca 0.32 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1uxl s VAL 31 Cb -0.16 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1uxl s VAL 31 CO 0.14 0.53 0.55 -1.66 0.00 0.00 0.00 175.10 174.66 1uxl s TRP 32 N 0.97 -0.48 -4.48 5.22 -2.14 -0.41 -0.45 118.94 117.17 1uxl s TRP 32 Ca -0.04 0.72 0.00 0.00 2.66 0.00 0.00 56.10 59.44 1uxl s TRP 32 Cb -0.15 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1uxl s TRP 32 CO -0.04 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1uxl n GLY 33 N 0.79 -0.51 3.13 3.67 0.00 -0.80 -0.21 105.19 111.25 1uxl n GLY 33 Ca -0.19 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.08 -0.04 1.61 0.15 -0.96 -0.61 113.70 109.77 1uxl s SER 34 Ca 0.00 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1uxl s SER 34 Cb 0.00 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1uxl s SER 34 CO 0.00 -0.31 -0.09 -0.63 1.20 0.00 0.00 173.24 173.40 1uxl s ILE 35 N -1.01 0.87 0.41 6.45 1.01 -0.12 -2.16 121.20 126.65 1uxl s ILE 35 Ca -0.11 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.25 1uxl s ILE 35 Cb -0.06 -0.80 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 1uxl s ILE 35 CO 0.02 0.28 0.03 -1.59 0.00 0.00 0.00 174.94 173.68 1uxl s LYS 36 N 0.52 1.99 0.00 2.79 -2.85 0.19 -0.16 119.74 122.22 1uxl s LYS 36 Ca -0.09 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 52.79 1uxl s LYS 36 Cb -0.13 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 33.97 1uxl s LYS 36 CO 0.02 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1uxl n GLY 37 N -1.00 0.60 3.89 0.59 0.00 -1.01 -1.96 105.19 106.30 1uxl n GLY 37 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 4.05 0.47 0.99 1.43 -0.83 -4.24 118.68 120.55 1uxl s LEU 38 Ca 0.00 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 53.70 1uxl s LEU 38 Cb 0.00 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1uxl s LEU 38 CO 0.00 -0.19 1.18 0.42 0.23 0.00 0.00 176.35 177.98 1uxl s THR 39 N -2.06 3.04 0.49 5.49 -4.23 -1.26 -4.08 115.64 113.04 1uxl s THR 39 Ca 0.46 0.78 -0.24 0.00 -1.18 0.00 0.00 61.69 61.51 1uxl s THR 39 Cb -0.11 -3.39 -0.07 0.00 1.34 0.00 0.00 72.50 70.27 1uxl s THR 39 CO 0.28 -0.01 1.38 -1.83 -0.54 0.00 0.00 174.62 173.90 1uxl s GLU 40 N -2.73 3.45 0.00 3.99 -1.05 -1.26 -4.66 118.70 116.44 1uxl s GLU 40 Ca 0.64 2.31 0.00 0.00 -0.15 0.00 0.00 54.97 57.77 1uxl s GLU 40 Cb -0.29 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 1uxl s GLU 40 CO 0.35 -0.97 0.00 0.41 0.95 0.00 0.00 175.26 176.01 1uxl n GLY 41 N 0.64 0.08 3.80 -3.83 0.00 0.06 -4.92 105.19 101.02 1uxl n GLY 41 Ca 0.07 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 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 4.53 -0.04 0.99 1.02 -1.26 -0.38 118.68 123.55 1uxl s LEU 42 Ca 0.00 1.39 -0.00 0.00 0.02 0.00 0.00 54.13 55.54 1uxl s LEU 42 Cb 0.00 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 43.16 1uxl s LEU 42 CO 0.00 0.24 0.00 -1.00 0.02 0.00 0.00 176.35 175.61 1uxl s HIS 43 N -1.16 0.38 0.56 0.29 3.76 -0.10 -2.63 115.29 116.39 1uxl s HIS 43 Ca 0.32 -0.02 -0.20 0.00 -0.15 0.00 0.00 55.06 55.01 1uxl s HIS 43 Cb -0.20 -0.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 1uxl s HIS 43 CO 0.21 -0.17 1.19 0.41 -0.85 0.00 0.00 174.74 175.54 1uxl n GLY 44 N 4.38 0.30 2.72 -2.22 0.00 0.03 -1.09 105.19 109.31 1uxl n GLY 44 Ca -0.21 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.37 -0.13 0.04 1.61 5.36 0.07 -0.73 117.98 122.82 1uxl s PHE 45 Ca 0.73 0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 56.81 1uxl s PHE 45 Cb -0.43 -0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1uxl s PHE 45 CO 0.48 -0.53 0.02 -1.01 -1.46 0.00 0.00 175.22 172.73 1uxl s HIS 46 N 2.27 0.32 -0.23 10.12 3.76 -0.60 -2.35 115.29 128.58 1uxl s HIS 46 Ca 0.05 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 1uxl s HIS 46 Cb -0.15 -0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 1uxl s HIS 46 CO -0.10 -0.32 0.46 0.08 -0.85 0.00 0.00 174.74 174.01 1uxl s VAL 47 N -2.72 5.13 0.28 -0.90 1.01 0.40 -0.86 120.40 122.74 1uxl s VAL 47 Ca -0.04 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1uxl s VAL 47 Cb -0.01 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1uxl s VAL 47 CO -0.05 0.17 0.46 -1.00 0.00 0.00 0.00 175.10 174.68 1uxl s HIS 48 N 1.80 3.48 0.17 5.22 3.76 0.18 -1.00 115.29 128.90 1uxl s HIS 48 Ca 0.21 0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.24 1uxl s HIS 48 Cb -0.15 -1.81 0.05 0.00 1.11 0.00 0.00 32.58 31.78 1uxl s HIS 48 CO 0.09 0.27 1.83 1.49 -0.85 0.00 0.00 174.74 177.57 1uxl h GLU 49 N 1.21 0.65 -5.90 1.40 4.81 -0.51 -2.85 114.58 113.40 1uxl h GLU 49 Ca -0.50 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1uxl h GLU 49 Cb 1.21 -0.15 -0.17 0.00 0.63 0.00 0.00 28.75 30.27 1uxl h GLU 49 CO 0.63 0.43 -0.65 -0.06 -0.73 0.00 0.00 179.01 178.63 1uxl s PHE 50 N -6.15 3.07 -0.45 0.92 0.08 -0.46 -4.67 117.98 110.32 1uxl s PHE 50 Ca -0.13 0.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.93 1uxl s PHE 50 Cb 0.12 -1.80 -0.08 0.00 -0.57 0.00 0.00 43.02 40.69 1uxl s PHE 50 CO 0.74 0.34 3.09 0.41 -0.10 0.00 0.00 175.22 179.70 1uxl n GLY 51 N 2.43 3.89 3.15 4.36 0.00 -1.07 -3.62 105.19 114.33 1uxl n GLY 51 Ca -0.18 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 1.16 4.88 -0.25 1.61 -1.08 -1.26 -4.96 116.67 116.77 1uxl s ASP 52 Ca 0.63 -1.40 0.12 0.00 -0.52 0.00 0.00 52.55 51.37 1uxl s ASP 52 Cb 0.32 -1.70 0.48 0.00 -1.46 0.00 0.00 42.92 40.56 1uxl s ASP 52 CO -0.11 -0.29 1.40 0.59 0.52 0.00 0.00 175.17 177.28 1uxl n ASN 53 N 4.58 2.65 -0.19 -0.34 5.03 -1.26 -2.67 115.26 123.07 1uxl n ASN 53 Ca -0.11 -3.58 -0.01 0.00 0.87 0.00 0.00 54.58 51.75 1uxl n ASN 53 Cb 0.43 -0.59 0.23 0.00 -1.02 0.00 0.00 39.78 38.83 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 1.07 1.20 -1.09 3.41 1.35 -1.93 -1.87 112.91 115.06 1uxl h THR 54 Ca 0.13 -0.50 -0.62 0.00 -0.55 0.00 0.00 66.41 64.87 1uxl h THR 54 Cb 1.49 0.28 -0.37 0.00 -1.73 0.00 0.00 68.15 67.81 1uxl h THR 54 CO 0.28 0.22 -0.10 0.00 -0.25 0.00 0.00 175.52 175.67 1uxl n ALA 55 N -2.44 5.58 -0.43 6.62 0.00 -1.26 -5.07 120.51 123.52 1uxl n ALA 55 Ca 0.07 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1uxl n ALA 55 Cb 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.71 -0.18 0.25 0.00 0.00 -0.70 -3.62 105.19 100.22 1uxl n GLY 56 Ca 0.50 -1.02 0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 1.19 0.00 0.00 2.02 -1.89 -2.44 112.91 111.79 1uxl h THR 58 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1uxl h THR 58 Cb 0.23 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1uxl h THR 58 CO 0.00 0.22 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 1uxl n SER 59 N -4.37 0.00 0.00 4.18 3.41 -1.09 -3.23 113.62 112.52 1uxl n SER 59 Ca 0.05 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 57.87 1uxl n SER 59 Cb 0.12 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.97 1.84 -0.33 7.33 0.00 -0.92 -4.47 120.51 122.99 1uxl n ALA 60 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1uxl n ALA 60 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.39 -0.73 2.05 0.00 0.00 -1.20 -1.35 105.19 104.35 1uxl n GLY 61 Ca 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.02 -0.34 -2.05 1.61 -0.04 -1.26 -4.65 135.00 128.24 1uxl n PRO 62 Ca 0.00 -1.22 -0.41 0.00 -0.04 0.00 0.00 63.50 61.83 1uxl n PRO 62 Cb 0.00 -0.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 -2.16 2.97 -0.01 0.54 3.76 -1.26 -0.18 115.29 118.96 1uxl s HIS 63 Ca 0.38 1.32 -0.31 0.00 -0.15 0.00 0.00 55.06 56.30 1uxl s HIS 63 Cb -0.01 -3.75 -0.09 0.00 1.11 0.00 0.00 32.58 29.83 1uxl s HIS 63 CO 0.26 -2.15 1.99 0.34 -0.85 0.00 0.00 174.74 174.32 1uxl n PHE 64 N 0.99 2.43 -2.99 1.40 7.35 -0.17 -4.49 117.46 121.97 1uxl n PHE 64 Ca 0.01 -0.30 -0.16 0.00 -0.76 0.00 0.00 57.45 56.25 1uxl n PHE 64 Cb 0.41 -2.78 -0.00 0.00 0.35 0.00 0.00 39.48 37.47 1uxl n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1uxl n ASN 65 N 7.78 -0.95 0.28 -2.13 5.15 -1.26 -1.41 115.26 122.71 1uxl n ASN 65 Ca 0.22 -3.11 0.17 0.00 -0.60 0.00 0.00 54.58 51.25 1uxl n ASN 65 Cb 0.39 0.49 0.78 0.00 -0.53 0.00 0.00 39.78 40.91 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 3.59 0.00 -0.37 1.20 0.13 -1.91 -2.46 132.00 132.18 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 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1uxl h PRO 66 CO 0.38 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 1uxl n LEU 67 N -3.22 2.78 -3.73 1.56 4.77 -1.26 -4.98 117.00 112.93 1uxl n LEU 67 Ca -0.01 -1.25 -0.29 0.00 -0.03 0.00 0.00 56.01 54.44 1uxl n LEU 67 Cb 0.26 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1uxl n LEU 67 CO 0.27 0.63 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.65 1uxl n SER 68 N 1.04 -3.84 -4.91 -1.43 7.64 -0.93 -5.00 113.62 106.19 1uxl n SER 68 Ca 0.18 -0.98 -0.26 0.00 1.01 0.00 0.00 58.87 58.82 1uxl n SER 68 Cb 0.48 -3.44 -0.00 0.00 -1.01 0.00 0.00 64.21 60.24 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 -6.06 2.27 0.55 1.43 0.52 -1.26 -5.13 118.95 111.27 1uxl s ARG 69 Ca 0.32 -1.97 -0.06 0.00 -0.52 0.00 0.00 55.73 53.50 1uxl s ARG 69 Cb -0.11 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 1uxl s ARG 69 CO 0.86 -0.60 0.86 0.15 0.02 0.00 0.00 175.30 176.58 1uxl s LYS 70 N -4.29 3.21 0.41 3.54 1.02 -1.26 -4.77 119.74 117.59 1uxl s LYS 70 Ca 0.36 0.11 -0.25 0.00 0.02 0.00 0.00 55.97 56.21 1uxl s LYS 70 Cb -0.02 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.90 1uxl s LYS 70 CO 0.22 -0.49 1.25 -1.58 -0.92 0.00 0.00 175.35 173.83 1uxl s HIS 71 N -2.90 2.89 0.00 3.18 5.65 0.12 -3.41 115.29 120.83 1uxl s HIS 71 Ca 0.51 1.47 0.00 0.00 0.25 0.00 0.00 55.06 57.29 1uxl s HIS 71 Cb -0.10 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 1uxl s HIS 71 CO 0.45 -1.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.16 1uxl n GLY 72 N 0.65 2.68 3.97 1.59 0.00 -1.25 -4.41 105.19 108.43 1uxl n GLY 72 Ca 0.04 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.97 1.70 0.54 -0.02 0.00 -1.16 -4.65 107.32 102.75 1uxl s GLY 73 Ca 0.00 -1.22 0.22 0.00 0.00 0.00 0.00 44.72 43.72 1uxl s GLY 73 CO 0.00 -1.01 2.09 -0.56 0.00 0.00 0.00 173.10 173.62 1uxl h PRO 74 N 0.29 0.00 0.00 2.90 0.13 -1.87 -2.03 132.00 131.42 1uxl h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1uxl h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uxl h PRO 74 CO 0.54 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.09 1uxl h LYS 75 N 0.00 0.00 -6.80 0.86 1.57 -1.95 -3.46 116.57 106.79 1uxl h LYS 75 Ca 0.11 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.39 1uxl h LYS 75 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1uxl h LYS 75 CO -0.00 0.00 0.41 -0.51 -0.57 0.00 0.00 179.45 178.78 1uxl s ASP 76 N -4.62 7.38 0.16 0.86 1.01 -0.76 -4.96 116.67 115.74 1uxl s ASP 76 Ca 0.10 2.09 -0.13 0.00 0.71 0.00 0.00 52.55 55.32 1uxl s ASP 76 Cb 0.12 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.49 1uxl s ASP 76 CO 0.62 -0.05 1.71 -0.33 0.21 0.00 0.00 175.17 177.33 1uxl h GLU 77 N 3.79 0.81 -5.57 8.23 4.39 -1.89 -3.35 114.58 120.99 1uxl h GLU 77 Ca -0.46 -0.15 -0.63 0.00 0.34 0.00 0.00 59.36 58.45 1uxl h GLU 77 Cb 1.21 -0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.59 1uxl h GLU 77 CO 0.67 0.72 0.95 -2.00 -1.16 0.00 0.00 179.01 178.19 1uxl s GLU 78 N -5.52 3.42 0.23 2.33 2.56 -1.26 -4.96 118.70 115.49 1uxl s GLU 78 Ca -0.13 -1.17 -0.10 0.00 0.00 0.00 0.00 54.97 53.57 1uxl s GLU 78 Cb 0.12 -4.76 -0.01 0.00 2.00 0.00 0.00 34.13 31.48 1uxl s GLU 78 CO 0.79 -1.94 0.39 -0.98 -0.56 0.00 0.00 175.26 172.96 1uxl s ARG 79 N 4.00 1.43 0.40 4.30 1.70 -1.23 -3.79 118.95 125.75 1uxl s ARG 79 Ca 0.33 -1.30 -0.16 0.00 -0.47 0.00 0.00 55.73 54.13 1uxl s ARG 79 Cb -0.07 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1uxl s ARG 79 CO -0.01 -0.57 0.84 -1.01 -1.08 0.00 0.00 175.30 173.47 1uxl s HIS 80 N -4.03 3.38 0.29 5.89 3.76 -1.22 -4.66 115.29 118.71 1uxl s HIS 80 Ca 0.25 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1uxl s HIS 80 Cb 0.01 -2.65 0.55 0.00 1.11 0.00 0.00 32.58 31.61 1uxl s HIS 80 CO 0.08 -0.07 1.87 0.28 -0.85 0.00 0.00 174.74 176.05 1uxl h VAL 81 N 1.64 0.98 0.00 -0.90 2.07 -1.81 -1.82 116.25 116.41 1uxl h VAL 81 Ca -0.48 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1uxl h VAL 81 Cb 1.18 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1uxl h VAL 81 CO 0.63 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.02 1uxl n GLY 82 N -1.37 -0.79 3.54 2.17 0.00 -0.50 -4.41 105.19 103.83 1uxl n GLY 82 Ca 0.17 -0.11 -0.41 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 -1.78 6.28 -0.16 1.61 1.01 -0.69 -0.45 116.67 122.49 1uxl s ASP 83 Ca 0.27 -0.85 0.16 0.00 0.71 0.00 0.00 52.55 52.84 1uxl s ASP 83 Cb 0.12 -2.54 0.65 0.00 1.01 0.00 0.00 42.92 42.16 1uxl s ASP 83 CO 0.21 -1.68 1.56 0.18 0.21 0.00 0.00 175.17 175.65 1uxl n LEU 84 N 8.97 4.58 0.00 1.23 4.77 -0.99 -3.54 117.00 132.02 1uxl n LEU 84 Ca 0.12 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1uxl n LEU 84 Cb 0.49 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1uxl n LEU 84 CO 0.68 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1uxl n GLY 85 N 0.37 1.38 3.35 -0.72 0.00 -1.21 -4.78 105.19 103.59 1uxl n GLY 85 Ca 0.23 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 3.09 0.21 1.61 0.01 -1.26 -0.75 114.94 113.84 1uxl s ASN 86 Ca 0.00 -0.68 0.07 0.00 -0.71 0.00 0.00 52.86 51.53 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 0.10 0.68 -1.51 0.00 0.00 177.10 176.55 1uxl s VAL 87 N -0.99 4.16 -0.18 1.60 -7.23 -0.25 -4.91 120.40 112.59 1uxl s VAL 87 Ca 0.12 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1uxl s VAL 87 Cb -0.10 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.69 1uxl s VAL 87 CO 0.04 -0.22 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.54 1uxl s THR 88 N -1.93 2.17 -0.00 5.32 2.01 -1.26 -0.92 115.64 121.01 1uxl s THR 88 Ca 0.31 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1uxl s THR 88 Cb -0.09 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1uxl s THR 88 CO 0.22 0.52 0.61 0.00 -0.69 0.00 0.00 174.62 175.28 1uxl s ALA 89 N 1.30 3.48 1.03 7.40 0.00 0.49 -4.19 121.76 131.28 1uxl s ALA 89 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 1uxl s ALA 89 Cb -0.13 -2.76 0.15 0.00 0.00 0.00 0.00 23.12 20.38 1uxl s ALA 89 CO -0.12 0.16 0.77 -0.40 0.00 0.00 0.00 175.76 176.17 1uxl n ASP 90 N 2.75 -0.30 0.20 0.00 5.68 -0.24 -0.76 116.55 123.88 1uxl n ASP 90 Ca -0.07 -1.21 0.14 0.00 -0.50 0.00 0.00 54.79 53.16 1uxl n ASP 90 Cb 0.51 -0.61 0.70 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.28 0.11 2.10 -1.98 0.35 116.57 116.88 1uxl h LYS 91 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1uxl h LYS 91 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1uxl h LYS 91 CO 0.18 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 1uxl n ASP 92 N -2.53 2.49 0.00 7.07 8.00 -1.26 -4.86 116.55 125.45 1uxl n ASP 92 Ca -0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1uxl n ASP 92 Cb 0.14 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.30 0.45 3.42 0.44 0.00 0.11 -4.74 105.19 106.16 1uxl n GLY 93 Ca 0.17 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 3.75 -0.29 1.61 1.01 -1.26 -1.96 120.40 121.26 1uxl s VAL 94 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1uxl s VAL 94 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1uxl s VAL 94 CO 0.00 0.44 0.11 0.00 0.00 0.00 0.00 175.10 175.65 1uxl s ALA 95 N 0.99 3.18 -0.31 5.51 0.00 0.77 -1.08 121.76 130.82 1uxl s ALA 95 Ca 0.01 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 1uxl s ALA 95 Cb -0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1uxl s ALA 95 CO 0.01 -0.79 0.56 -0.51 0.00 0.00 0.00 175.76 175.03 1uxl s ASP 96 N 1.58 6.41 -0.16 0.00 1.01 -1.26 -0.95 116.67 123.30 1uxl s ASP 96 Ca 0.05 0.30 -0.13 0.00 0.71 0.00 0.00 52.55 53.47 1uxl s ASP 96 Cb -0.16 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 1uxl s ASP 96 CO 0.04 -0.43 0.28 -0.69 0.21 0.00 0.00 175.17 174.58 1uxl s VAL 97 N 2.46 5.31 -0.27 -1.27 1.01 0.22 -4.81 120.40 123.05 1uxl s VAL 97 Ca 0.22 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 1uxl s VAL 97 Cb -0.15 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.75 1uxl s VAL 97 CO 0.12 0.40 0.36 -0.55 0.00 0.00 0.00 175.10 175.42 1uxl s SER 98 N 0.40 0.72 -0.00 3.32 0.15 -1.25 -1.91 113.70 115.12 1uxl s SER 98 Ca 0.16 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1uxl s SER 98 Cb -0.13 0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1uxl s SER 98 CO 0.03 -0.34 -0.08 -0.63 1.20 0.00 0.00 173.24 173.42 1uxl s ILE 99 N 2.48 0.65 -0.12 6.45 1.01 0.40 -5.00 121.20 127.08 1uxl s ILE 99 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1uxl s ILE 99 Cb -0.14 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1uxl s ILE 99 CO -0.24 0.15 -0.19 -0.70 0.00 0.00 0.00 174.94 173.95 1uxl s GLU 100 N -0.29 3.20 -0.01 2.79 2.12 -1.26 0.06 118.70 125.32 1uxl s GLU 100 Ca 0.02 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1uxl s GLU 100 Cb -0.04 -2.46 0.01 0.00 0.26 0.00 0.00 34.13 31.90 1uxl s GLU 100 CO -0.00 0.18 0.00 0.34 -0.54 0.00 0.00 175.26 175.25 1uxl s ASP 101 N 0.37 0.08 0.00 -1.70 2.15 -0.48 -4.97 116.67 112.13 1uxl s ASP 101 Ca -0.15 0.00 0.14 0.00 0.43 0.00 0.00 52.55 52.98 1uxl s ASP 101 Cb -0.17 -0.03 0.24 0.00 -0.30 0.00 0.00 42.92 42.66 1uxl s ASP 101 CO 0.07 -0.03 1.13 -1.54 -0.17 0.00 0.00 175.17 174.63 1uxl n SER 102 N 3.38 2.66 -0.11 -0.34 3.41 -1.26 -0.29 113.62 121.06 1uxl n SER 102 Ca -0.16 -1.78 -0.18 0.00 -0.26 0.00 0.00 58.87 56.49 1uxl n SER 102 Cb 0.57 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1uxl n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uxl n VAL 103 N 0.83 1.52 -1.56 -3.33 0.31 -1.26 -4.85 118.33 110.00 1uxl n VAL 103 Ca 0.11 -0.61 -0.31 0.00 -0.01 0.00 0.00 64.34 63.53 1uxl n VAL 103 Cb 0.42 -1.38 0.05 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.52 3.97 0.16 2.52 -4.36 -1.26 -4.89 121.20 114.81 1uxl s ILE 104 Ca -0.31 0.65 -0.08 0.00 -0.26 0.00 0.00 60.65 60.65 1uxl s ILE 104 Cb 0.08 -3.36 -0.01 0.00 1.25 0.00 0.00 42.46 40.42 1uxl s ILE 104 CO 0.64 -0.83 0.25 -0.55 0.24 0.00 0.00 174.94 174.70 1uxl s SER 105 N -3.74 0.07 -0.11 4.36 0.15 -0.97 -4.67 113.70 108.80 1uxl s SER 105 Ca 0.58 -0.89 0.16 0.00 0.70 0.00 0.00 55.95 56.50 1uxl s SER 105 Cb -0.14 0.42 0.59 0.00 -1.71 0.00 0.00 66.02 65.18 1uxl s SER 105 CO 0.55 -0.87 1.51 0.18 1.20 0.00 0.00 173.24 175.81 1uxl n LEU 106 N -0.19 4.21 -3.63 3.45 4.77 -1.26 -1.44 117.00 122.91 1uxl n LEU 106 Ca -0.08 -2.50 -0.10 0.00 -0.03 0.00 0.00 56.01 53.31 1uxl n LEU 106 Cb 0.63 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1uxl n LEU 106 CO 0.25 0.76 0.36 -0.94 -1.33 0.00 0.00 177.39 176.49 1uxl s SER 107 N -1.16 -0.38 0.13 -1.43 1.04 -1.26 -4.87 113.70 105.77 1uxl s SER 107 Ca 0.43 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1uxl s SER 107 Cb 0.29 0.61 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1uxl s SER 107 CO 0.19 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1uxl n GLY 108 N -0.37 -1.33 0.25 7.32 0.00 -1.26 -3.52 105.19 106.28 1uxl n GLY 108 Ca -0.12 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.56 1.61 3.32 -2.01 -1.99 116.42 116.79 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 0.14 0.00 1.41 -1.72 0.00 0.00 179.24 179.07 1uxl n HIS 110 N -3.43 1.23 -1.87 4.55 8.25 -1.26 -4.93 115.22 117.76 1uxl n HIS 110 Ca -0.01 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.54 1uxl n HIS 110 Cb 0.31 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 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 3.95 0.00 -1.87 0.00 -5.35 -0.52 -4.92 119.36 110.65 1uxl n ILE 112 Ca 0.14 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 62.12 1uxl n ILE 112 Cb 0.37 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.29 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 -2.72 2.33 0.00 7.28 2.01 -1.26 -1.49 115.64 121.79 1uxl s THR 113 Ca 0.09 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1uxl s THR 113 Cb 0.15 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1uxl s THR 113 CO 0.74 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 1uxl n GLY 114 N 2.56 1.02 1.30 4.40 0.00 0.11 -4.99 105.19 109.58 1uxl n GLY 114 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 1.06 -4.73 1.61 1.74 -0.56 -2.60 116.66 111.18 1uxl n ARG 115 Ca 0.00 -1.11 -0.33 0.00 -0.77 0.00 0.00 57.85 55.64 1uxl n ARG 115 Cb 0.00 0.03 -0.15 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.59 2.91 -0.10 0.55 2.01 -1.07 -0.47 115.64 118.88 1uxl s THR 116 Ca 0.15 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 1uxl s THR 116 Cb -0.01 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1uxl s THR 116 CO 0.10 0.52 0.45 -0.22 -0.69 0.00 0.00 174.62 174.78 1uxl s LEU 117 N 0.48 4.31 -0.04 4.42 2.96 -0.43 0.47 118.68 130.86 1uxl s LEU 117 Ca -0.10 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1uxl s LEU 117 Cb -0.16 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1uxl s LEU 117 CO 0.04 0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.33 1uxl s VAL 118 N 0.28 1.12 -0.12 1.68 1.01 -0.04 -2.06 120.40 122.26 1uxl s VAL 118 Ca 0.25 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1uxl s VAL 118 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1uxl s VAL 118 CO 0.10 0.33 -0.01 0.54 0.00 0.00 0.00 175.10 176.06 1uxl s VAL 119 N 0.14 4.14 0.32 2.92 0.11 -0.63 -1.56 120.40 125.83 1uxl s VAL 119 Ca -0.04 -0.29 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 1uxl s VAL 119 Cb -0.10 -2.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.95 1uxl s VAL 119 CO 0.01 0.54 0.36 -1.00 -3.33 0.00 0.00 175.10 171.69 1uxl s HIS 120 N -0.23 3.06 0.17 1.54 3.76 0.09 -1.08 115.29 122.60 1uxl s HIS 120 Ca 0.05 -0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 54.60 1uxl s HIS 120 Cb -0.13 -1.82 0.06 0.00 1.11 0.00 0.00 32.58 31.81 1uxl s HIS 120 CO 0.02 0.16 1.81 1.49 -0.85 0.00 0.00 174.74 177.37 1uxl h GLU 121 N 1.12 0.71 0.00 1.40 4.81 -0.59 -3.38 114.58 118.65 1uxl h GLU 121 Ca -0.46 -0.06 -0.50 0.00 -0.13 0.00 0.00 59.36 58.21 1uxl h GLU 121 Cb 1.25 -0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 1uxl h GLU 121 CO 0.57 0.51 -0.41 0.36 -0.73 0.00 0.00 179.01 179.31 1uxl n LYS 122 N -4.68 0.66 -2.04 1.92 2.85 -0.19 -4.90 118.16 111.78 1uxl n LYS 122 Ca 0.03 -3.04 -0.39 0.00 -1.05 0.00 0.00 58.31 53.86 1uxl n LYS 122 Cb 0.05 1.55 0.00 0.00 -0.65 0.00 0.00 35.03 35.98 1uxl n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uxl s ALA 123 N -2.94 3.16 -0.14 0.58 0.00 -1.08 -0.79 121.76 120.54 1uxl s ALA 123 Ca 0.16 1.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 1uxl s ALA 123 Cb 0.01 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1uxl s ALA 123 CO 0.11 -0.89 0.88 0.34 0.00 0.00 0.00 175.76 176.21 1uxl s ASP 124 N -0.85 7.05 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.54 1uxl s ASP 124 Ca 0.60 1.29 0.21 0.00 -0.52 0.00 0.00 52.55 54.13 1uxl s ASP 124 Cb -0.37 -2.49 1.26 0.00 -1.46 0.00 0.00 42.92 39.87 1uxl s ASP 124 CO 0.47 -0.40 1.77 -0.90 0.52 0.00 0.00 175.17 176.62 1uxl n ASP 125 N 5.09 0.00 -1.32 -0.34 5.68 0.65 -4.88 116.55 121.44 1uxl n ASP 125 Ca 0.06 -1.19 -0.16 0.00 -0.50 0.00 0.00 54.79 53.00 1uxl n ASP 125 Cb 0.49 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.86 -1.26 0.00 -2.12 4.77 -1.26 -2.07 117.00 114.20 1uxl n LEU 126 Ca 0.16 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1uxl n LEU 126 Cb 0.07 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1uxl n LEU 126 CO 0.12 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 1uxl n GLY 127 N -0.99 0.63 0.87 -0.72 0.00 -1.25 -3.00 105.19 100.73 1uxl n GLY 127 Ca -0.17 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.71 1.86 0.15 1.61 4.76 -0.88 -4.68 118.16 118.27 1uxl n LYS 128 Ca 0.00 -3.11 0.13 0.00 -2.87 0.00 0.00 58.31 52.46 1uxl n LYS 128 Cb 0.00 -1.74 0.36 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.99 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 99.41 1uxl h GLY 129 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1uxl h GLY 129 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.38 1uxl n GLY 130 N 1.08 0.55 3.41 4.60 0.00 -1.26 -5.01 105.19 108.55 1uxl n GLY 130 Ca 0.05 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.81 0.01 0.26 1.61 2.20 -1.26 -5.06 114.94 109.89 1uxl s ASN 131 Ca 0.00 -1.02 -0.04 0.00 -0.94 0.00 0.00 52.86 50.87 1uxl s ASN 131 Cb 0.00 0.49 0.31 0.00 -2.00 0.00 0.00 41.25 40.05 1uxl s ASN 131 CO 0.00 -0.98 1.84 1.05 -2.94 0.00 0.00 177.10 176.06 1uxl h GLU 132 N 2.44 1.03 -0.66 3.55 4.11 -2.00 -2.54 114.58 120.52 1uxl h GLU 132 Ca -0.30 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 58.99 1uxl h GLU 132 Cb 1.24 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1uxl h GLU 132 CO 0.44 0.83 0.43 1.49 0.07 0.00 0.00 179.01 182.28 1uxl h GLU 133 N 1.02 0.77 -0.88 1.06 4.57 -2.00 -1.88 114.58 117.23 1uxl h GLU 133 Ca 0.24 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.42 1uxl h GLU 133 Cb 0.18 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1uxl h GLU 133 CO -0.02 0.51 0.58 1.03 -1.18 0.00 0.00 179.01 179.93 1uxl h SER 134 N 0.80 0.92 0.26 1.04 0.87 -1.80 0.50 113.55 116.14 1uxl h SER 134 Ca 0.26 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1uxl h SER 134 Cb 0.05 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1uxl h SER 134 CO -0.07 0.62 -0.00 0.35 -0.53 0.00 0.00 176.83 177.20 1uxl n THR 135 N -4.46 0.00 -0.08 2.23 -2.24 -0.72 -2.07 114.28 106.95 1uxl n THR 135 Ca 0.12 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1uxl n THR 135 Cb 0.14 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.12 0.40 0.00 -0.78 5.02 -0.34 -0.70 118.16 120.64 1uxl n LYS 136 Ca 0.19 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1uxl n LYS 136 Cb 0.17 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -4.02 0.00 -1.01 -0.18 -2.24 0.02 -4.62 114.28 102.24 1uxl n THR 137 Ca -0.26 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1uxl n THR 137 Cb 0.59 0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.21 0.47 3.43 3.38 0.00 -0.88 -3.93 105.19 108.87 1uxl n GLY 138 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 0.51 -5.16 -0.09 1.61 3.02 -1.26 -0.25 115.26 113.65 1uxl n ASN 139 Ca -0.00 -0.48 0.13 0.00 -0.03 0.00 0.00 54.58 54.19 1uxl n ASN 139 Cb 0.04 -4.16 0.70 0.00 -0.61 0.00 0.00 39.78 35.75 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 -4.03 2.63 -0.34 5.41 0.00 -1.25 -4.78 120.51 118.16 1uxl n ALA 140 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1uxl n ALA 140 Cb 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.94 -0.47 3.77 0.00 0.00 -1.26 -1.02 105.19 107.14 1uxl n GLY 141 Ca 0.19 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 4.41 -0.43 1.61 1.04 -1.26 -4.59 113.70 110.48 1uxl s SER 142 Ca 0.00 1.63 -0.21 0.00 0.48 0.00 0.00 55.95 57.84 1uxl s SER 142 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.78 1uxl s SER 142 CO 0.00 -2.07 0.69 -0.13 0.98 0.00 0.00 173.24 172.72 1uxl s ARG 143 N -4.97 3.40 0.00 4.02 0.52 -1.26 -0.32 118.95 120.33 1uxl s ARG 143 Ca 0.61 -0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.59 1uxl s ARG 143 Cb -0.16 -3.92 -0.28 0.00 0.52 0.00 0.00 34.95 31.11 1uxl s ARG 143 CO 0.56 -0.99 0.85 -0.07 0.02 0.00 0.00 175.30 175.67 1uxl h LEU 144 N 9.79 0.40 -7.11 2.53 3.38 -1.41 -3.47 115.31 119.42 1uxl h LEU 144 Ca -0.25 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.11 1uxl h LEU 144 Cb 1.09 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 1uxl h LEU 144 CO 0.91 1.46 0.11 0.00 0.09 0.00 0.00 178.44 181.00 1uxl s ALA 145 N -2.62 -1.51 0.29 1.53 0.00 -1.17 -4.08 121.76 114.20 1uxl s ALA 145 Ca -0.09 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 1uxl s ALA 145 Cb 0.07 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1uxl s ALA 145 CO 0.85 -0.49 0.67 0.00 0.00 0.00 0.00 175.76 176.80 1uxl s GLY 147 N -2.96 -0.47 0.04 0.00 0.00 -0.87 -1.60 107.32 101.45 1uxl s GLY 147 Ca 0.14 1.00 -0.25 0.00 0.00 0.00 0.00 44.72 45.61 1uxl s GLY 147 CO 0.08 0.34 0.76 0.14 0.00 0.00 0.00 173.10 174.42 1uxl s VAL 148 N -3.10 4.74 -0.25 1.40 1.01 -1.26 -1.32 120.40 121.62 1uxl s VAL 148 Ca 0.04 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1uxl s VAL 148 Cb -0.01 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1uxl s VAL 148 CO -0.09 0.37 1.09 -0.63 0.00 0.00 0.00 175.10 175.84 1uxl s ILE 149 N -0.05 4.55 0.21 2.22 1.01 0.38 -4.55 121.20 124.96 1uxl s ILE 149 Ca 0.38 1.84 0.09 0.00 0.00 0.00 0.00 60.65 62.95 1uxl s ILE 149 Cb -0.20 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1uxl s ILE 149 CO 0.23 -0.28 -0.03 -0.83 0.00 0.00 0.00 174.94 174.02 1uxl s GLY 150 N 1.53 1.70 0.15 6.18 0.00 0.27 0.07 107.32 117.22 1uxl s GLY 150 Ca 0.47 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 1uxl s GLY 150 CO 0.11 -1.53 1.51 -0.42 0.00 0.00 0.00 173.10 172.76 1uxl s ILE 151 N -1.92 2.85 0.21 0.90 1.01 -1.26 -0.77 121.20 122.22 1uxl s ILE 151 Ca 0.28 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.63 1uxl s ILE 151 Cb -0.08 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1uxl s ILE 151 CO 0.18 0.05 -0.08 0.00 0.00 0.00 0.00 174.94 175.09 1uxl s ALA 152 N 1.14 2.99 -2.00 9.38 0.00 -0.65 -4.80 121.76 127.83 1uxl s ALA 152 Ca 0.68 -1.56 0.21 0.00 0.00 0.00 0.00 51.96 51.29 1uxl s ALA 152 Cb -0.41 -0.71 1.23 0.00 0.00 0.00 0.00 23.12 23.23 1uxl s ALA 152 CO 0.31 0.39 1.61 0.94 0.00 0.00 0.00 175.76 179.01