#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 4.61 0.07 0.00 2.01 -0.54 -4.89 115.64 116.90 1uxl s THR 2 Ca 0.00 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.72 1uxl s THR 2 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1uxl s THR 2 CO 0.00 0.41 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.68 1uxl s LYS 3 N -0.36 0.76 0.13 4.92 1.02 -1.26 -0.75 119.74 124.21 1uxl s LYS 3 Ca 0.38 -0.98 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 1uxl s LYS 3 Cb -0.21 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1uxl s LYS 3 CO 0.24 0.12 0.15 0.00 -0.92 0.00 0.00 175.35 174.94 1uxl s ALA 4 N -1.71 0.35 0.07 5.17 0.00 -0.22 -1.45 121.76 123.97 1uxl s ALA 4 Ca -0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1uxl s ALA 4 Cb -0.07 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1uxl s ALA 4 CO 0.01 -0.54 0.29 0.54 0.00 0.00 0.00 175.76 176.06 1uxl s VAL 5 N -3.98 0.10 -0.11 0.00 0.11 0.01 -0.83 120.40 115.70 1uxl s VAL 5 Ca 0.17 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1uxl s VAL 5 Cb 0.06 -1.09 0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1uxl s VAL 5 CO -0.02 -0.45 0.27 0.00 -3.33 0.00 0.00 175.10 171.57 1uxl s VAL 7 N 1.14 5.06 -0.13 0.00 1.01 -1.26 -0.87 120.40 125.35 1uxl s VAL 7 Ca -0.08 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1uxl s VAL 7 Cb -0.09 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1uxl s VAL 7 CO -0.08 0.28 0.40 -0.76 0.00 0.00 0.00 175.10 174.94 1uxl s LEU 8 N 1.63 4.27 0.03 3.92 1.43 0.46 -3.94 118.68 126.48 1uxl s LEU 8 Ca 0.07 0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 1uxl s LEU 8 Cb -0.15 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1uxl s LEU 8 CO 0.08 0.05 0.14 -0.54 0.23 0.00 0.00 176.35 176.31 1uxl s LYS 9 N 0.52 0.60 0.00 1.70 1.02 -0.41 -2.16 119.74 121.01 1uxl s LYS 9 Ca 0.22 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1uxl s LYS 9 Cb -0.14 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1uxl s LYS 9 CO 0.08 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1uxl n GLY 10 N 0.87 3.66 0.19 -3.33 0.00 -1.24 -1.01 105.19 104.34 1uxl n GLY 10 Ca -0.20 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.19 1.61 3.32 -1.92 -3.46 116.42 115.78 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 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1uxl n GLY 12 N 1.12 3.03 0.38 2.75 0.00 -1.26 -5.04 105.19 106.17 1uxl n GLY 12 Ca 0.03 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 1.39 -2.48 1.61 -0.04 -1.26 -4.89 135.00 129.33 1uxl n PRO 13 Ca 0.00 -0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 62.26 1uxl n PRO 13 Cb 0.00 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.14 4.32 0.04 0.52 1.01 -1.26 -4.34 120.40 118.54 1uxl s VAL 14 Ca 0.35 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.74 1uxl s VAL 14 Cb 0.21 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1uxl s VAL 14 CO 0.39 -0.02 0.51 0.00 0.00 0.00 0.00 175.10 175.98 1uxl s GLN 15 N 2.34 1.01 0.00 2.72 -2.07 -0.86 -3.63 119.66 119.17 1uxl s GLN 15 Ca 0.55 -0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.88 1uxl s GLN 15 Cb -0.24 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1uxl s GLN 15 CO 0.20 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 1uxl n GLY 16 N 0.49 -1.42 3.07 2.60 0.00 -0.92 -0.52 105.19 108.50 1uxl n GLY 16 Ca -0.18 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 1uxl n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uxl s ILE 17 N -2.06 1.45 -0.12 -0.61 1.01 -0.98 -0.40 121.20 119.49 1uxl s ILE 17 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1uxl s ILE 17 Cb 0.00 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 1uxl s ILE 17 CO 0.00 0.43 -0.21 -0.63 0.00 0.00 0.00 174.94 174.52 1uxl s ILE 18 N 0.71 2.25 0.01 2.92 -1.09 -0.05 -2.44 121.20 123.53 1uxl s ILE 18 Ca -0.13 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1uxl s ILE 18 Cb -0.16 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 1uxl s ILE 18 CO 0.03 0.55 0.14 0.20 -1.23 0.00 0.00 174.94 174.63 1uxl s ASN 19 N 0.46 6.04 -0.05 3.58 0.01 0.12 -0.73 114.94 124.37 1uxl s ASN 19 Ca -0.15 0.23 0.03 0.00 -0.71 0.00 0.00 52.86 52.26 1uxl s ASN 19 Cb -0.17 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1uxl s ASN 19 CO 0.06 0.24 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.39 1uxl s PHE 20 N -1.31 1.59 -0.02 2.20 0.40 -0.01 -1.17 117.98 119.67 1uxl s PHE 20 Ca 0.27 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1uxl s PHE 20 Cb -0.12 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.30 1uxl s PHE 20 CO 0.19 -0.22 -0.05 -2.00 0.70 0.00 0.00 175.22 173.83 1uxl s GLU 21 N 0.34 0.59 -0.26 0.44 2.12 -0.06 -1.06 118.70 120.80 1uxl s GLU 21 Ca -0.09 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.07 1uxl s GLU 21 Cb -0.13 -0.60 0.08 0.00 0.26 0.00 0.00 34.13 33.74 1uxl s GLU 21 CO 0.03 0.03 0.08 -1.14 -0.54 0.00 0.00 175.26 173.72 1uxl s GLN 22 N 0.34 0.62 0.22 4.30 0.74 0.07 -0.35 119.66 125.60 1uxl s GLN 22 Ca -0.04 -0.73 -0.08 0.00 0.05 0.00 0.00 55.36 54.56 1uxl s GLN 22 Cb -0.08 -1.91 0.17 0.00 1.10 0.00 0.00 33.01 32.30 1uxl s GLN 22 CO -0.00 -0.85 1.81 0.87 -0.55 0.00 0.00 175.29 176.56 1uxl h LYS 23 N 8.20 1.20 -5.19 1.67 1.57 -1.82 -1.44 116.57 120.75 1uxl h LYS 23 Ca -0.16 -0.18 -0.45 0.00 -1.87 0.00 0.00 60.65 57.99 1uxl h LYS 23 Cb 1.06 -0.21 -0.28 0.00 0.08 0.00 0.00 32.23 32.88 1uxl h LYS 23 CO 0.41 0.93 -0.80 -1.21 -0.57 0.00 0.00 179.45 178.21 1uxl s GLU 24 N -5.68 1.00 0.64 3.15 2.02 -1.26 -4.38 118.70 114.20 1uxl s GLU 24 Ca -0.13 -0.55 -0.17 0.00 0.02 0.00 0.00 54.97 54.14 1uxl s GLU 24 Cb 0.16 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.40 1uxl s GLU 24 CO 0.83 0.26 1.21 -1.54 0.02 0.00 0.00 175.26 176.04 1uxl s SER 25 N -0.56 4.83 0.00 -0.19 1.04 -1.26 -0.63 113.70 116.93 1uxl s SER 25 Ca 0.04 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1uxl s SER 25 Cb -0.06 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1uxl s SER 25 CO 0.00 -1.83 0.00 0.59 0.98 0.00 0.00 173.24 172.98 1uxl n ASN 26 N -2.03 -0.81 -4.57 7.02 5.03 -1.26 -4.95 115.26 113.69 1uxl n ASN 26 Ca 0.13 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.33 1uxl n ASN 26 Cb 0.50 -2.61 0.12 0.00 -1.02 0.00 0.00 39.78 36.78 1uxl n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1uxl s GLY 27 N -1.98 1.76 0.68 7.41 0.00 0.20 -5.05 107.32 110.34 1uxl s GLY 27 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 1uxl s GLY 27 CO 0.00 -0.98 1.21 -4.14 0.00 0.00 0.00 173.10 169.19 1uxl s PRO 28 N -5.31 2.47 -0.20 2.90 0.02 -1.26 -4.88 135.00 128.75 1uxl s PRO 28 Ca 0.68 1.78 -0.07 0.00 0.02 0.00 0.00 61.00 63.41 1uxl s PRO 28 Cb -0.05 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1uxl s PRO 28 CO 0.46 -1.58 0.06 0.08 -0.33 0.00 0.00 177.00 175.69 1uxl s VAL 29 N -1.83 4.57 -0.01 3.83 1.01 0.27 -4.33 120.40 123.90 1uxl s VAL 29 Ca 0.76 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 1uxl s VAL 29 Cb -0.30 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1uxl s VAL 29 CO 0.41 0.42 0.60 -0.75 0.00 0.00 0.00 175.10 175.78 1uxl s LYS 30 N 0.80 4.33 -0.13 2.72 2.20 0.53 -1.21 119.74 128.97 1uxl s LYS 30 Ca 0.03 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1uxl s LYS 30 Cb -0.14 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1uxl s LYS 30 CO 0.02 0.35 -0.13 0.08 -0.36 0.00 0.00 175.35 175.31 1uxl s VAL 31 N -0.12 1.44 0.05 4.02 1.01 0.54 -0.88 120.40 126.45 1uxl s VAL 31 Ca 0.31 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 1uxl s VAL 31 Cb -0.18 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1uxl s VAL 31 CO 0.17 0.44 0.51 -1.66 0.00 0.00 0.00 175.10 174.56 1uxl s TRP 32 N 1.45 -0.41 -5.00 5.22 1.48 -0.31 -0.72 118.94 120.66 1uxl s TRP 32 Ca 0.03 0.44 0.00 0.00 -1.06 0.00 0.00 56.10 55.51 1uxl s TRP 32 Cb -0.13 0.33 0.00 0.00 -1.16 0.00 0.00 33.47 32.51 1uxl s TRP 32 CO -0.09 -0.64 0.00 0.41 -4.06 0.00 0.00 176.95 172.58 1uxl n GLY 33 N 0.41 -1.08 3.01 3.67 0.00 -0.99 0.15 105.19 110.36 1uxl n GLY 33 Ca -0.18 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1uxl n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxl s SER 34 N -4.00 1.53 -0.10 1.61 0.01 -1.02 -0.42 113.70 111.31 1uxl s SER 34 Ca 0.00 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1uxl s SER 34 Cb 0.00 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.62 1uxl s SER 34 CO 0.00 0.04 -0.23 -0.63 0.41 0.00 0.00 173.24 172.83 1uxl s ILE 35 N 0.51 2.17 0.42 1.44 1.01 -0.22 -2.31 121.20 124.22 1uxl s ILE 35 Ca -0.10 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1uxl s ILE 35 Cb -0.13 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 1uxl s ILE 35 CO 0.02 0.56 0.07 -1.59 0.00 0.00 0.00 174.94 174.00 1uxl s LYS 36 N 0.30 2.07 0.00 2.79 -2.85 0.33 -0.36 119.74 122.01 1uxl s LYS 36 Ca -0.17 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 52.77 1uxl s LYS 36 Cb -0.17 -1.76 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1uxl s LYS 36 CO 0.08 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1uxl n GLY 37 N -1.09 0.56 3.92 0.59 0.00 -0.93 -2.02 105.19 106.22 1uxl n GLY 37 Ca -0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 4.09 0.44 0.99 1.43 -0.68 -4.27 118.68 120.68 1uxl s LEU 38 Ca 0.00 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 53.46 1uxl s LEU 38 Cb 0.00 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1uxl s LEU 38 CO 0.00 -0.17 1.15 0.42 0.23 0.00 0.00 176.35 177.97 1uxl s THR 39 N -2.06 3.23 0.25 5.49 -4.23 -1.26 -4.12 115.64 112.94 1uxl s THR 39 Ca 0.42 0.95 -0.31 0.00 -1.18 0.00 0.00 61.69 61.57 1uxl s THR 39 Cb -0.11 -3.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.11 1uxl s THR 39 CO 0.31 0.01 1.43 1.21 -0.54 0.00 0.00 174.62 177.04 1uxl n GLU 40 N -0.29 2.13 0.00 3.99 2.13 -1.26 -4.54 120.64 122.80 1uxl n GLU 40 Ca 0.06 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1uxl n GLU 40 Cb 0.48 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 2.07 0.54 3.81 8.31 0.00 -0.17 -4.91 105.19 114.84 1uxl n GLY 41 Ca 0.11 -2.28 -0.37 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 4.43 -0.02 0.99 1.43 -1.26 -0.86 118.68 123.38 1uxl s LEU 42 Ca 0.00 1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1uxl s LEU 42 Cb 0.00 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1uxl s LEU 42 CO 0.00 0.12 0.03 -1.00 0.23 0.00 0.00 176.35 175.73 1uxl s HIS 43 N -1.37 0.02 0.64 0.29 3.76 0.07 -2.97 115.29 115.74 1uxl s HIS 43 Ca 0.38 0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 55.25 1uxl s HIS 43 Cb -0.18 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 1uxl s HIS 43 CO 0.22 -0.09 1.31 0.20 -0.85 0.00 0.00 174.74 175.52 1uxl s GLY 44 N 1.09 2.87 -0.23 -2.22 0.00 -0.21 -0.80 107.32 107.82 1uxl s GLY 44 Ca -0.09 1.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.85 1uxl s GLY 44 CO -0.03 1.69 0.29 -0.12 0.00 0.00 0.00 173.10 174.93 1uxl s PHE 45 N -1.37 -0.50 0.03 1.90 5.36 0.12 -0.82 117.98 122.70 1uxl s PHE 45 Ca 0.81 0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1uxl s PHE 45 Cb -0.38 -0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 42.04 1uxl s PHE 45 CO 0.41 -0.68 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.45 1uxl s HIS 46 N 2.41 0.31 -0.20 10.12 3.76 -0.73 -2.40 115.29 128.57 1uxl s HIS 46 Ca 0.09 -0.62 -0.19 0.00 -0.15 0.00 0.00 55.06 54.20 1uxl s HIS 46 Cb -0.15 -0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 1uxl s HIS 46 CO -0.16 -0.22 0.55 0.08 -0.85 0.00 0.00 174.74 174.14 1uxl s VAL 47 N -1.86 5.08 0.28 -0.90 1.01 0.09 -0.80 120.40 123.30 1uxl s VAL 47 Ca -0.12 1.01 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1uxl s VAL 47 Cb -0.07 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1uxl s VAL 47 CO -0.02 0.16 0.45 -1.00 0.00 0.00 0.00 175.10 174.68 1uxl s HIS 48 N 1.72 3.48 0.19 5.22 3.76 0.12 -0.76 115.29 129.02 1uxl s HIS 48 Ca 0.25 0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.28 1uxl s HIS 48 Cb -0.16 -1.78 0.11 0.00 1.11 0.00 0.00 32.58 31.87 1uxl s HIS 48 CO 0.10 0.29 1.81 1.49 -0.85 0.00 0.00 174.74 177.58 1uxl h GLU 49 N 1.21 0.93 -5.98 1.40 4.81 -0.54 -2.79 114.58 113.61 1uxl h GLU 49 Ca -0.50 -0.11 -0.68 0.00 -0.13 0.00 0.00 59.36 57.95 1uxl h GLU 49 Cb 1.22 -0.18 -0.19 0.00 0.63 0.00 0.00 28.75 30.22 1uxl h GLU 49 CO 0.63 0.69 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.86 1uxl s PHE 50 N -5.86 2.98 -0.34 0.92 0.08 -0.12 -4.67 117.98 110.96 1uxl s PHE 50 Ca -0.13 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 1uxl s PHE 50 Cb 0.14 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1uxl s PHE 50 CO 0.78 0.29 2.83 0.41 -0.10 0.00 0.00 175.22 179.43 1uxl n GLY 51 N 2.42 4.02 3.18 4.36 0.00 -1.11 -3.62 105.19 114.45 1uxl n GLY 51 Ca -0.18 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 0.68 5.06 -0.19 1.61 -1.08 -1.26 -4.95 116.67 116.53 1uxl s ASP 52 Ca 0.56 -1.41 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 1uxl s ASP 52 Cb 0.35 -1.77 0.61 0.00 -1.46 0.00 0.00 42.92 40.64 1uxl s ASP 52 CO -0.15 -0.34 1.51 -3.20 0.52 0.00 0.00 175.17 173.51 1uxl n ASN 53 N 4.66 4.38 0.18 -0.34 4.05 -1.26 -3.10 115.26 123.83 1uxl n ASN 53 Ca -0.11 -2.99 0.05 0.00 0.45 0.00 0.00 54.58 51.98 1uxl n ASN 53 Cb 0.43 -0.58 0.49 0.00 1.23 0.00 0.00 39.78 41.35 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1uxl h THR 54 N 2.39 1.12 -0.92 -0.44 1.35 -1.92 -2.01 112.91 112.48 1uxl h THR 54 Ca 0.00 -0.51 -0.58 0.00 -0.55 0.00 0.00 66.41 64.77 1uxl h THR 54 Cb 1.59 1.17 -0.40 0.00 -1.73 0.00 0.00 68.15 68.77 1uxl h THR 54 CO 0.29 0.15 -0.47 0.00 -0.25 0.00 0.00 175.52 175.25 1uxl n ALA 55 N -2.51 5.29 -0.76 6.62 0.00 -1.26 -5.07 120.51 122.83 1uxl n ALA 55 Ca -0.02 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1uxl n ALA 55 Cb 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.36 0.19 0.00 0.00 -0.76 -2.97 105.19 102.30 1uxl n GLY 56 Ca 0.47 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 1.15 -0.01 0.00 2.02 -1.87 -2.40 112.91 111.80 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 0.61 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1uxl h THR 58 CO 0.00 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 1uxl n SER 59 N -4.35 0.17 0.03 4.18 3.41 -1.18 -3.44 113.62 112.45 1uxl n SER 59 Ca 0.00 -1.23 0.09 0.00 -0.26 0.00 0.00 58.87 57.47 1uxl n SER 59 Cb 0.20 -0.01 0.38 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.78 1.73 -0.20 7.33 0.00 -0.90 -4.46 120.51 123.23 1uxl n ALA 60 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1uxl n ALA 60 Cb 0.12 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.15 -1.45 2.44 0.00 0.00 -1.22 -0.94 105.19 104.16 1uxl n GLY 61 Ca 0.03 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.21 -0.54 -1.95 1.61 -0.04 -1.26 -4.59 135.00 128.02 1uxl n PRO 62 Ca 0.00 -1.41 -0.38 0.00 -0.04 0.00 0.00 63.50 61.67 1uxl n PRO 62 Cb 0.00 -0.74 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.56 2.45 -0.04 0.54 3.76 -1.26 -0.35 115.29 117.83 1uxl s HIS 63 Ca 0.46 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.52 1uxl s HIS 63 Cb -0.02 -3.63 -0.06 0.00 1.11 0.00 0.00 32.58 29.99 1uxl s HIS 63 CO 0.32 -2.41 1.70 0.12 -0.85 0.00 0.00 174.74 173.61 1uxl s PHE 64 N -1.42 1.90 -0.41 1.40 5.36 0.06 -4.45 117.98 120.41 1uxl s PHE 64 Ca 0.71 0.11 0.09 0.00 -0.96 0.00 0.00 56.93 56.88 1uxl s PHE 64 Cb -0.35 -3.96 0.31 0.00 -0.34 0.00 0.00 43.02 38.67 1uxl s PHE 64 CO 0.41 -4.09 0.81 -1.71 -1.46 0.00 0.00 175.22 169.19 1uxl n ASN 65 N 7.13 -0.67 0.22 6.13 5.15 -1.26 -1.38 115.26 130.58 1uxl n ASN 65 Ca 0.18 -3.17 0.15 0.00 -0.60 0.00 0.00 54.58 51.14 1uxl n ASN 65 Cb 0.42 0.40 0.72 0.00 -0.53 0.00 0.00 39.78 40.79 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 3.35 0.00 -0.68 1.20 0.13 -1.93 -2.05 132.00 132.02 1uxl h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1uxl h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1uxl h PRO 66 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 1uxl n LEU 67 N -2.65 3.83 -3.95 1.56 4.77 -1.26 -4.98 117.00 114.31 1uxl n LEU 67 Ca -0.00 -2.01 -0.26 0.00 -0.03 0.00 0.00 56.01 53.71 1uxl n LEU 67 Cb 0.17 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1uxl n LEU 67 CO 0.20 0.95 -0.24 -1.20 -1.33 0.00 0.00 177.39 175.77 1uxl n SER 68 N 1.47 -0.47 -5.01 -1.43 7.64 -0.77 -4.98 113.62 110.08 1uxl n SER 68 Ca 0.23 -1.02 -0.18 0.00 1.01 0.00 0.00 58.87 58.91 1uxl n SER 68 Cb 0.60 -3.01 0.02 0.00 -1.01 0.00 0.00 64.21 60.81 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 -6.56 2.73 0.61 1.43 1.81 -1.26 -5.12 118.95 112.59 1uxl s ARG 69 Ca 0.02 -1.25 -0.10 0.00 -1.72 0.00 0.00 55.73 52.68 1uxl s ARG 69 Cb -0.01 -2.72 -0.03 0.00 -0.45 0.00 0.00 34.95 31.74 1uxl s ARG 69 CO 0.89 -0.39 0.99 0.15 -0.68 0.00 0.00 175.30 176.27 1uxl s LYS 70 N -4.43 3.39 0.35 3.54 1.02 -1.26 -4.71 119.74 117.65 1uxl s LYS 70 Ca 0.56 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 1uxl s LYS 70 Cb -0.09 -2.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1uxl s LYS 70 CO 0.34 -0.61 1.28 -1.58 -0.92 0.00 0.00 175.35 173.86 1uxl s HIS 71 N -3.13 3.04 0.00 3.18 5.65 -0.05 -3.19 115.29 120.79 1uxl s HIS 71 Ca 0.54 1.45 0.00 0.00 0.25 0.00 0.00 55.06 57.30 1uxl s HIS 71 Cb -0.11 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 1uxl s HIS 71 CO 0.51 -1.75 0.00 0.41 -0.65 0.00 0.00 174.74 173.26 1uxl n GLY 72 N 0.79 2.97 3.94 1.59 0.00 -1.25 -4.41 105.19 108.82 1uxl n GLY 72 Ca 0.01 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.88 1.60 0.56 -0.02 0.00 -1.20 -4.65 107.32 102.73 1uxl s GLY 73 Ca 0.00 -0.94 0.28 0.00 0.00 0.00 0.00 44.72 44.07 1uxl s GLY 73 CO 0.00 -0.72 2.17 -0.56 0.00 0.00 0.00 173.10 173.99 1uxl h PRO 74 N 0.17 0.00 0.00 2.90 0.13 -1.86 -1.52 132.00 131.81 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 0.06 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1uxl n LYS 75 N -3.78 0.03 -3.13 0.86 5.02 -1.26 -4.87 118.16 111.04 1uxl n LYS 75 Ca -0.02 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1uxl n LYS 75 Cb 0.15 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 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 -3.17 6.82 0.13 4.39 1.01 -0.57 -4.98 116.67 120.30 1uxl s ASP 76 Ca 0.13 1.31 -0.12 0.00 0.71 0.00 0.00 52.55 54.58 1uxl s ASP 76 Cb 0.17 -2.38 -0.06 0.00 1.01 0.00 0.00 42.92 41.65 1uxl s ASP 76 CO 0.50 -0.17 1.45 -0.08 0.21 0.00 0.00 175.17 177.07 1uxl h GLU 77 N 2.42 0.89 -5.65 8.23 4.81 -1.89 -3.39 114.58 120.01 1uxl h GLU 77 Ca -0.48 -0.49 -0.61 0.00 -0.13 0.00 0.00 59.36 57.64 1uxl h GLU 77 Cb 1.18 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 1uxl h GLU 77 CO 0.65 1.14 0.60 -2.00 -0.73 0.00 0.00 179.01 178.67 1uxl s GLU 78 N -4.32 3.18 0.18 1.92 2.56 -1.26 -4.93 118.70 116.02 1uxl s GLU 78 Ca -0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 54.97 54.01 1uxl s GLU 78 Cb 0.10 -4.18 0.06 0.00 2.00 0.00 0.00 34.13 32.12 1uxl s GLU 78 CO 0.88 -1.76 0.64 -0.98 -0.56 0.00 0.00 175.26 173.47 1uxl s ARG 79 N 4.21 1.38 0.51 4.30 1.70 -1.19 -3.84 118.95 126.02 1uxl s ARG 79 Ca 0.26 -0.58 -0.19 0.00 -0.47 0.00 0.00 55.73 54.74 1uxl s ARG 79 Cb -0.15 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1uxl s ARG 79 CO 0.13 -0.61 1.03 -1.01 -1.08 0.00 0.00 175.30 173.76 1uxl s HIS 80 N -3.77 3.04 0.30 5.89 3.76 -1.20 -4.68 115.29 118.64 1uxl s HIS 80 Ca 0.03 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.53 1uxl s HIS 80 Cb -0.02 -3.02 0.59 0.00 1.11 0.00 0.00 32.58 31.23 1uxl s HIS 80 CO -0.08 -0.82 1.87 0.28 -0.85 0.00 0.00 174.74 175.13 1uxl h VAL 81 N 1.30 0.96 0.00 -0.90 2.07 -1.85 -1.79 116.25 116.04 1uxl h VAL 81 Ca -0.49 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1uxl h VAL 81 Cb 1.22 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1uxl h VAL 81 CO 0.59 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1uxl n GLY 82 N -1.38 -0.77 3.50 2.17 0.00 -0.48 -4.32 105.19 103.92 1uxl n GLY 82 Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.71 6.36 0.00 1.61 1.01 -0.68 -0.73 116.67 122.53 1uxl s ASP 83 Ca 0.23 -1.24 0.22 0.00 0.71 0.00 0.00 52.55 52.47 1uxl s ASP 83 Cb 0.11 -2.49 0.60 0.00 1.01 0.00 0.00 42.92 42.15 1uxl s ASP 83 CO 0.18 -1.46 1.51 0.18 0.21 0.00 0.00 175.17 175.78 1uxl n LEU 84 N 8.14 3.72 0.00 1.23 4.77 -1.01 -3.52 117.00 130.33 1uxl n LEU 84 Ca 0.14 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1uxl n LEU 84 Cb 0.49 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1uxl n LEU 84 CO 0.63 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1uxl n GLY 85 N 1.60 0.82 3.58 -0.72 0.00 -1.19 -4.78 105.19 104.51 1uxl n GLY 85 Ca 0.23 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 4.32 0.19 1.61 0.01 -1.26 -0.70 114.94 115.11 1uxl s ASN 86 Ca 0.00 -0.56 0.11 0.00 -0.71 0.00 0.00 52.86 51.70 1uxl s ASN 86 Cb 0.00 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 1uxl s ASN 86 CO 0.00 0.10 -0.22 0.68 -1.51 0.00 0.00 177.10 176.15 1uxl s VAL 87 N -1.73 2.50 -0.16 1.60 -7.23 0.02 -4.91 120.40 110.49 1uxl s VAL 87 Ca 0.25 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1uxl s VAL 87 Cb -0.09 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1uxl s VAL 87 CO 0.16 -0.10 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.84 1uxl s THR 88 N -1.64 3.00 0.00 5.32 2.01 -1.26 -0.75 115.64 122.32 1uxl s THR 88 Ca 0.21 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 1uxl s THR 88 Cb -0.08 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 1uxl s THR 88 CO 0.11 0.50 0.39 0.00 -0.69 0.00 0.00 174.62 174.93 1uxl s ALA 89 N 0.82 3.71 0.96 7.40 0.00 -0.04 -4.20 121.76 130.41 1uxl s ALA 89 Ca -0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 1uxl s ALA 89 Cb -0.15 -2.35 0.10 0.00 0.00 0.00 0.00 23.12 20.71 1uxl s ALA 89 CO 0.01 0.50 0.58 -0.40 0.00 0.00 0.00 175.76 176.45 1uxl n ASP 90 N 1.73 0.09 0.17 0.00 5.68 0.27 -1.00 116.55 123.49 1uxl n ASP 90 Ca -0.14 -1.24 0.12 0.00 -0.50 0.00 0.00 54.79 53.04 1uxl n ASP 90 Cb 0.52 -0.44 0.59 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.24 0.11 2.10 -1.97 -0.34 116.57 116.22 1uxl h LYS 91 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1uxl h LYS 91 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1uxl h LYS 91 CO 0.14 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 1uxl n ASP 92 N -2.35 2.81 0.00 7.07 8.00 -1.26 -4.89 116.55 125.93 1uxl n ASP 92 Ca 0.00 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1uxl n ASP 92 Cb 0.14 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 3.51 0.44 0.00 -0.14 -4.74 105.19 106.13 1uxl n GLY 93 Ca 0.18 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 4.14 -0.34 1.61 1.01 -1.26 -1.69 120.40 121.87 1uxl s VAL 94 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1uxl s VAL 94 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1uxl s VAL 94 CO 0.00 0.46 0.17 0.00 0.00 0.00 0.00 175.10 175.73 1uxl s ALA 95 N 0.58 3.25 -0.98 5.51 0.00 0.51 -0.56 121.76 130.07 1uxl s ALA 95 Ca -0.01 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 1uxl s ALA 95 Cb -0.14 -2.44 0.17 0.00 0.00 0.00 0.00 23.12 20.71 1uxl s ALA 95 CO 0.02 -1.12 1.10 -0.51 0.00 0.00 0.00 175.76 175.26 1uxl s ASP 96 N 1.57 6.82 0.26 0.00 1.01 -1.26 -1.06 116.67 124.02 1uxl s ASP 96 Ca 0.03 -2.55 -0.30 0.00 0.71 0.00 0.00 52.55 50.45 1uxl s ASP 96 Cb -0.18 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 1uxl s ASP 96 CO 0.06 -0.80 1.40 -0.69 0.21 0.00 0.00 175.17 175.35 1uxl s VAL 97 N 1.46 2.71 -0.28 -1.27 1.01 0.44 -4.88 120.40 119.58 1uxl s VAL 97 Ca 0.31 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1uxl s VAL 97 Cb -0.06 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 33.08 1uxl s VAL 97 CO -0.07 0.11 0.42 -0.55 0.00 0.00 0.00 175.10 175.00 1uxl s SER 98 N 0.18 0.23 0.03 3.32 0.15 -1.25 -2.33 113.70 114.04 1uxl s SER 98 Ca 0.57 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 57.00 1uxl s SER 98 Cb -0.41 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.06 1uxl s SER 98 CO 0.45 -0.34 -0.12 -0.63 1.20 0.00 0.00 173.24 173.80 1uxl s ILE 99 N 2.56 0.90 -0.07 6.45 1.01 0.11 -5.00 121.20 127.16 1uxl s ILE 99 Ca 0.10 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1uxl s ILE 99 Cb -0.13 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1uxl s ILE 99 CO -0.28 -0.04 -0.17 -1.61 0.00 0.00 0.00 174.94 172.84 1uxl s GLU 100 N -1.03 2.16 -0.03 2.79 2.02 -1.26 -0.34 118.70 123.01 1uxl s GLU 100 Ca -0.00 -0.62 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1uxl s GLU 100 Cb -0.07 -1.74 0.02 0.00 0.10 0.00 0.00 34.13 32.44 1uxl s GLU 100 CO 0.01 0.14 0.07 0.34 0.02 0.00 0.00 175.26 175.83 1uxl s ASP 101 N 0.39 -0.04 0.00 -0.19 2.15 -0.35 -4.96 116.67 113.67 1uxl s ASP 101 Ca -0.13 0.13 0.18 0.00 0.43 0.00 0.00 52.55 53.16 1uxl s ASP 101 Cb -0.15 0.10 0.43 0.00 -0.30 0.00 0.00 42.92 42.99 1uxl s ASP 101 CO 0.05 -0.06 1.35 -1.54 -0.17 0.00 0.00 175.17 174.80 1uxl n SER 102 N 3.45 3.32 -0.13 -0.34 3.41 -1.26 -0.56 113.62 121.50 1uxl n SER 102 Ca -0.17 -1.95 -0.25 0.00 -0.26 0.00 0.00 58.87 56.24 1uxl n SER 102 Cb 0.57 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.15 1.49 -0.95 -3.33 0.31 -1.26 -4.89 118.33 110.85 1uxl n VAL 103 Ca 0.17 -0.45 -0.31 0.00 -0.01 0.00 0.00 64.34 63.74 1uxl n VAL 103 Cb 0.52 -1.68 0.13 0.00 -0.91 0.00 0.00 33.84 31.90 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 2.63 0.18 2.52 -4.36 -1.26 -4.87 121.20 113.53 1uxl s ILE 104 Ca -0.37 0.20 -0.10 0.00 -0.26 0.00 0.00 60.65 60.13 1uxl s ILE 104 Cb 0.12 -2.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 1uxl s ILE 104 CO 0.52 -0.27 0.33 -0.55 0.24 0.00 0.00 174.94 175.21 1uxl s SER 105 N -3.00 -0.00 -0.02 4.36 0.15 -0.99 -4.64 113.70 109.55 1uxl s SER 105 Ca 0.64 -0.85 0.17 0.00 0.70 0.00 0.00 55.95 56.61 1uxl s SER 105 Cb -0.20 0.47 0.52 0.00 -1.71 0.00 0.00 66.02 65.09 1uxl s SER 105 CO 0.57 -0.94 1.43 0.18 1.20 0.00 0.00 173.24 175.69 1uxl n LEU 106 N -0.25 3.66 -3.98 3.45 4.77 -1.26 -1.52 117.00 121.87 1uxl n LEU 106 Ca -0.07 -2.11 -0.09 0.00 -0.03 0.00 0.00 56.01 53.71 1uxl n LEU 106 Cb 0.63 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1uxl n LEU 106 CO 0.23 0.85 0.19 -0.94 -1.33 0.00 0.00 177.39 176.40 1uxl s SER 107 N -1.04 -0.10 0.36 -1.43 1.04 -1.26 -4.88 113.70 106.39 1uxl s SER 107 Ca 0.39 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1uxl s SER 107 Cb 0.22 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1uxl s SER 107 CO 0.24 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1uxl n GLY 108 N -0.38 -1.07 0.25 7.32 0.00 -1.26 -3.25 105.19 106.80 1uxl n GLY 108 Ca -0.02 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.60 1.61 3.32 -2.01 -1.71 116.42 117.03 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 0.15 0.00 1.41 -1.72 0.00 0.00 179.24 179.08 1uxl n HIS 110 N -3.66 1.34 -1.74 4.55 8.25 -1.26 -4.97 115.22 117.74 1uxl n HIS 110 Ca -0.02 -0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 56.49 1uxl n HIS 110 Cb 0.28 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 3.31 0.00 -1.98 0.00 -5.35 -0.57 -4.93 119.36 109.84 1uxl n ILE 112 Ca 0.13 -0.17 -0.41 0.00 -0.27 0.00 0.00 62.75 62.04 1uxl n ILE 112 Cb 0.36 1.12 -0.01 0.00 -1.74 0.00 0.00 39.64 39.37 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 -2.55 2.45 0.00 7.28 -4.23 -1.26 -1.52 115.64 115.80 1uxl s THR 113 Ca 0.12 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1uxl s THR 113 Cb 0.16 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1uxl s THR 113 CO 0.65 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1uxl n GLY 114 N 0.80 1.26 2.11 3.99 0.00 0.77 -4.99 105.19 109.13 1uxl n GLY 114 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 -4.90 1.61 1.74 -0.58 -2.74 116.66 110.78 1uxl n ARG 115 Ca 0.00 -1.86 -0.33 0.00 -0.77 0.00 0.00 57.85 54.89 1uxl n ARG 115 Cb 0.00 0.13 -0.15 0.00 -1.02 0.00 0.00 32.46 31.42 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 -1.39 2.79 -0.03 0.55 2.01 -1.05 -0.49 115.64 118.03 1uxl s THR 116 Ca 0.21 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 1uxl s THR 116 Cb -0.02 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1uxl s THR 116 CO 0.13 0.54 0.56 -0.22 -0.69 0.00 0.00 174.62 174.94 1uxl s LEU 117 N 0.30 4.39 -0.03 4.42 2.96 -0.28 0.15 118.68 130.59 1uxl s LEU 117 Ca -0.12 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1uxl s LEU 117 Cb -0.16 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 1uxl s LEU 117 CO 0.06 0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.36 1uxl s VAL 118 N -0.06 1.14 -0.10 1.68 1.01 0.02 -1.97 120.40 122.12 1uxl s VAL 118 Ca 0.30 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1uxl s VAL 118 Cb -0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1uxl s VAL 118 CO 0.16 0.33 -0.09 0.54 0.00 0.00 0.00 175.10 176.04 1uxl s VAL 119 N 0.02 3.47 0.29 2.92 0.11 -0.68 -1.77 120.40 124.77 1uxl s VAL 119 Ca -0.02 -0.54 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1uxl s VAL 119 Cb -0.09 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1uxl s VAL 119 CO 0.01 0.56 0.28 -1.00 -3.33 0.00 0.00 175.10 171.62 1uxl s HIS 120 N -0.28 3.05 0.22 1.54 3.76 0.00 -0.77 115.29 122.81 1uxl s HIS 120 Ca 0.03 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 1uxl s HIS 120 Cb -0.13 -1.64 0.24 0.00 1.11 0.00 0.00 32.58 32.16 1uxl s HIS 120 CO 0.03 0.32 1.84 1.49 -0.85 0.00 0.00 174.74 177.56 1uxl h GLU 121 N 1.30 0.81 -5.10 1.40 4.81 -0.88 -3.38 114.58 113.55 1uxl h GLU 121 Ca -0.47 -0.05 -0.50 0.00 -0.13 0.00 0.00 59.36 58.21 1uxl h GLU 121 Cb 1.25 -0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 1uxl h GLU 121 CO 0.59 0.54 -0.56 0.15 -0.73 0.00 0.00 179.01 179.00 1uxl s LYS 122 N -6.10 1.77 0.38 1.92 1.02 -0.31 -4.92 119.74 113.51 1uxl s LYS 122 Ca -0.13 -2.03 -0.27 0.00 0.02 0.00 0.00 55.97 53.56 1uxl s LYS 122 Cb 0.16 -0.70 -0.10 0.00 -0.52 0.00 0.00 37.83 36.68 1uxl s LYS 122 CO 0.77 -0.34 1.37 0.00 -0.92 0.00 0.00 175.35 176.24 1uxl s ALA 123 N -3.29 3.43 -0.05 5.17 0.00 -1.16 -1.05 121.76 124.81 1uxl s ALA 123 Ca 0.30 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 1uxl s ALA 123 Cb 0.06 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1uxl s ALA 123 CO 0.15 -0.88 1.08 0.34 0.00 0.00 0.00 175.76 176.45 1uxl s ASP 124 N -0.45 7.19 0.00 0.00 -1.08 -1.26 -3.82 116.67 117.25 1uxl s ASP 124 Ca 0.54 1.71 0.21 0.00 -0.52 0.00 0.00 52.55 54.48 1uxl s ASP 124 Cb -0.42 -2.56 1.13 0.00 -1.46 0.00 0.00 42.92 39.61 1uxl s ASP 124 CO 0.55 -0.45 1.74 -0.90 0.52 0.00 0.00 175.17 176.63 1uxl n ASP 125 N 4.69 0.31 -2.02 -0.34 5.68 0.65 -4.87 116.55 120.64 1uxl n ASP 125 Ca 0.09 -1.43 -0.19 0.00 -0.50 0.00 0.00 54.79 52.76 1uxl n ASP 125 Cb 0.48 -0.02 -0.03 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 -0.61 -1.76 0.00 -2.12 4.77 -1.26 -1.74 117.00 114.28 1uxl n LEU 126 Ca 0.15 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1uxl n LEU 126 Cb 0.12 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 1uxl n LEU 126 CO 0.12 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1uxl n GLY 127 N -0.92 0.52 1.12 -0.72 0.00 -1.25 -3.20 105.19 100.74 1uxl n GLY 127 Ca -0.22 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.94 3.37 0.00 1.61 5.02 -0.71 -4.58 118.16 119.92 1uxl n LYS 128 Ca 0.00 -2.75 0.13 0.00 -2.02 0.00 0.00 58.31 53.67 1uxl n LYS 128 Cb 0.00 -1.80 0.37 0.00 -0.02 0.00 0.00 35.03 33.57 1uxl n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uxl n GLY 129 N 0.17 -0.97 2.21 0.72 0.00 -1.26 -4.96 105.19 101.10 1uxl n GLY 129 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 1.41 0.43 3.52 -0.02 0.00 -1.26 -4.97 105.19 104.29 1uxl n GLY 130 Ca 0.09 -0.09 -0.24 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 -2.11 3.03 0.25 1.61 2.20 -1.26 -5.04 114.94 113.63 1uxl s ASN 131 Ca 0.00 -1.35 -0.06 0.00 -0.94 0.00 0.00 52.86 50.51 1uxl s ASN 131 Cb 0.00 -0.22 0.27 0.00 -2.00 0.00 0.00 41.25 39.29 1uxl s ASN 131 CO 0.00 -0.51 1.92 -0.33 -2.94 0.00 0.00 177.10 175.24 1uxl h GLU 132 N 2.00 1.30 -0.73 3.55 3.07 -2.00 -2.13 114.58 119.65 1uxl h GLU 132 Ca -0.42 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 58.37 1uxl h GLU 132 Cb 1.24 -0.29 -0.04 0.00 -0.84 0.00 0.00 28.75 28.82 1uxl h GLU 132 CO 0.74 0.87 0.48 1.49 -1.40 0.00 0.00 179.01 181.20 1uxl h GLU 133 N 1.34 0.91 -0.83 2.33 4.57 -1.99 -2.25 114.58 118.65 1uxl h GLU 133 Ca 0.36 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1uxl h GLU 133 Cb -0.13 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.21 1uxl h GLU 133 CO -0.07 0.60 0.55 1.03 -1.18 0.00 0.00 179.01 179.93 1uxl h SER 134 N 0.93 0.96 -0.15 1.04 0.87 -1.73 0.70 113.55 116.17 1uxl h SER 134 Ca 0.28 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1uxl h SER 134 Cb -0.02 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1uxl h SER 134 CO -0.07 0.70 0.00 0.35 -0.53 0.00 0.00 176.83 177.28 1uxl n THR 135 N -4.40 0.20 -0.06 2.23 -2.24 -0.86 -2.17 114.28 106.97 1uxl n THR 135 Ca 0.09 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1uxl n THR 135 Cb 0.03 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.07 0.28 0.00 -0.78 5.02 -0.60 -0.87 118.16 121.27 1uxl n LYS 136 Ca 0.14 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1uxl n LYS 136 Cb 0.25 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -3.65 0.00 -1.00 -0.18 -2.24 0.14 -4.66 114.28 102.69 1uxl n THR 137 Ca -0.23 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1uxl n THR 137 Cb 0.62 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.74 0.46 3.21 3.38 0.00 -0.92 -3.78 105.19 108.27 1uxl n GLY 138 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.10 -5.99 -0.20 1.61 3.02 -1.26 -0.25 115.26 112.09 1uxl n ASN 139 Ca 0.00 -0.37 0.11 0.00 -0.03 0.00 0.00 54.58 54.29 1uxl n ASN 139 Cb 0.05 -4.81 0.58 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.93 2.60 -0.20 5.41 0.00 -1.25 -4.74 120.51 118.41 1uxl n ALA 140 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1uxl n ALA 140 Cb 0.60 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.96 -0.94 3.73 0.00 0.00 -1.26 -1.16 105.19 106.52 1uxl n GLY 141 Ca 0.17 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 3.52 -0.49 1.61 1.04 -1.26 -4.60 113.70 109.53 1uxl s SER 142 Ca 0.00 1.38 -0.21 0.00 0.48 0.00 0.00 55.95 57.60 1uxl s SER 142 Cb 0.00 -2.06 0.04 0.00 0.10 0.00 0.00 66.02 64.10 1uxl s SER 142 CO 0.00 -2.59 0.69 -0.13 0.98 0.00 0.00 173.24 172.19 1uxl s ARG 143 N -5.00 3.22 0.07 4.02 0.52 -1.26 -0.75 118.95 119.78 1uxl s ARG 143 Ca 0.63 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.23 1uxl s ARG 143 Cb -0.17 -4.03 -0.28 0.00 0.52 0.00 0.00 34.95 30.98 1uxl s ARG 143 CO 0.56 -1.18 1.14 -0.07 0.02 0.00 0.00 175.30 175.77 1uxl h LEU 144 N 9.92 0.41 -7.04 2.53 3.38 -1.25 -3.47 115.31 119.78 1uxl h LEU 144 Ca -0.26 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1uxl h LEU 144 Cb 1.09 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.57 1uxl h LEU 144 CO 0.96 1.35 0.17 0.00 0.09 0.00 0.00 178.44 181.01 1uxl s ALA 145 N -2.66 -1.58 0.27 1.53 0.00 -1.16 -4.06 121.76 114.10 1uxl s ALA 145 Ca -0.04 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 1uxl s ALA 145 Cb 0.07 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1uxl s ALA 145 CO 0.88 -0.64 0.66 0.00 0.00 0.00 0.00 175.76 176.67 1uxl s GLY 147 N -2.94 -0.52 0.07 0.00 0.00 -0.83 -1.29 107.32 101.81 1uxl s GLY 147 Ca 0.13 0.85 -0.28 0.00 0.00 0.00 0.00 44.72 45.43 1uxl s GLY 147 CO 0.07 0.29 0.88 0.14 0.00 0.00 0.00 173.10 174.48 1uxl s VAL 148 N -3.28 4.65 -0.17 1.40 1.01 -1.26 -1.13 120.40 121.62 1uxl s VAL 148 Ca 0.03 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 1uxl s VAL 148 Cb -0.01 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1uxl s VAL 148 CO -0.10 0.32 0.94 -0.63 0.00 0.00 0.00 175.10 175.63 1uxl s ILE 149 N 0.12 4.79 0.29 2.22 1.01 0.36 -4.52 121.20 125.47 1uxl s ILE 149 Ca 0.44 1.86 0.11 0.00 0.00 0.00 0.00 60.65 63.06 1uxl s ILE 149 Cb -0.22 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1uxl s ILE 149 CO 0.26 -0.04 -0.10 -0.83 0.00 0.00 0.00 174.94 174.23 1uxl s GLY 150 N 1.16 1.86 0.15 6.18 0.00 0.21 -0.17 107.32 116.71 1uxl s GLY 150 Ca 0.43 -1.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.01 1uxl s GLY 150 CO 0.12 -1.88 1.34 -0.42 0.00 0.00 0.00 173.10 172.26 1uxl s ILE 151 N -2.46 3.31 0.41 0.90 1.01 -1.26 -0.81 121.20 122.30 1uxl s ILE 151 Ca 0.31 1.00 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1uxl s ILE 151 Cb -0.04 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 1uxl s ILE 151 CO 0.17 0.11 0.03 0.00 0.00 0.00 0.00 174.94 175.25 1uxl s ALA 152 N 0.66 3.12 0.00 9.38 0.00 -0.53 -4.80 121.76 129.59 1uxl s ALA 152 Ca 0.61 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1uxl s ALA 152 Cb -0.36 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1uxl s ALA 152 CO 0.34 -0.17 0.45 0.00 0.00 0.00 0.00 175.76 176.38