#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 4.82 0.09 0.00 2.01 -0.38 -4.90 115.64 117.27 1uxl s THR 2 Ca 0.00 1.33 0.06 0.00 0.31 0.00 0.00 61.69 63.39 1uxl s THR 2 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1uxl s THR 2 CO 0.00 0.44 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.66 1uxl s LYS 3 N -0.38 0.95 0.17 4.92 1.02 -1.26 -0.54 119.74 124.62 1uxl s LYS 3 Ca 0.32 -1.06 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 1uxl s LYS 3 Cb -0.19 -1.05 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 1uxl s LYS 3 CO 0.19 0.24 0.16 0.00 -0.92 0.00 0.00 175.35 175.01 1uxl s ALA 4 N -1.29 0.69 0.05 5.17 0.00 -0.04 -1.55 121.76 124.78 1uxl s ALA 4 Ca 0.02 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1uxl s ALA 4 Cb -0.10 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1uxl s ALA 4 CO 0.03 -0.58 0.32 0.54 0.00 0.00 0.00 175.76 176.07 1uxl s VAL 5 N -4.06 0.08 -0.11 0.00 0.11 -0.05 -0.70 120.40 115.67 1uxl s VAL 5 Ca 0.27 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1uxl s VAL 5 Cb 0.06 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1uxl s VAL 5 CO 0.05 -0.36 0.26 0.00 -3.33 0.00 0.00 175.10 171.72 1uxl s VAL 7 N 1.36 4.97 -0.16 0.00 1.01 -1.26 -0.89 120.40 125.42 1uxl s VAL 7 Ca -0.09 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1uxl s VAL 7 Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1uxl s VAL 7 CO -0.09 0.14 0.45 -0.76 0.00 0.00 0.00 175.10 174.83 1uxl s LEU 8 N 1.69 4.22 0.04 3.92 2.01 0.52 -3.96 118.68 127.12 1uxl s LEU 8 Ca 0.06 0.69 -0.00 0.00 0.01 0.00 0.00 54.13 54.89 1uxl s LEU 8 Cb -0.17 -2.62 -0.03 0.00 0.01 0.00 0.00 46.19 43.38 1uxl s LEU 8 CO 0.09 -0.04 -0.03 -0.54 1.01 0.00 0.00 176.35 176.84 1uxl s LYS 9 N 0.93 0.49 0.00 1.70 1.02 -0.53 -1.91 119.74 121.44 1uxl s LYS 9 Ca 0.23 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 55.27 1uxl s LYS 9 Cb -0.15 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1uxl s LYS 9 CO 0.09 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1uxl n GLY 10 N 0.79 2.87 0.14 -3.33 0.00 -1.22 -1.25 105.19 103.19 1uxl n GLY 10 Ca -0.19 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 0.02 0.00 -0.35 1.61 3.32 -1.90 -3.47 116.42 115.64 1uxl h ASP 11 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1uxl h ASP 11 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1uxl h ASP 11 CO 0.00 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1uxl n GLY 12 N 1.19 2.60 0.18 2.75 0.00 -1.26 -5.02 105.19 105.63 1uxl n GLY 12 Ca 0.02 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 1.16 -2.70 1.61 -0.04 -1.26 -4.89 135.00 128.87 1uxl n PRO 13 Ca 0.00 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 62.68 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 -2.09 4.77 -0.04 0.52 1.01 -1.26 -4.24 120.40 119.07 1uxl s VAL 14 Ca 0.41 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 64.15 1uxl s VAL 14 Cb 0.21 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1uxl s VAL 14 CO 0.38 -0.04 0.52 0.00 0.00 0.00 0.00 175.10 175.95 1uxl s GLN 15 N 2.36 0.87 -0.03 2.72 -2.07 -0.97 -3.46 119.66 119.09 1uxl s GLN 15 Ca 0.46 0.10 -0.16 0.00 -1.82 0.00 0.00 55.36 53.94 1uxl s GLN 15 Cb -0.17 0.41 0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1uxl s GLN 15 CO 0.14 -0.26 0.71 0.41 -1.32 0.00 0.00 175.29 174.97 1uxl n GLY 16 N 1.16 0.32 2.91 2.60 0.00 -0.80 -0.68 105.19 110.71 1uxl n GLY 16 Ca -0.20 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.04 0.64 -0.07 -0.61 1.01 -0.90 -0.35 121.20 118.88 1uxl s ILE 17 Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1uxl s ILE 17 Cb -0.00 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 1uxl s ILE 17 CO -0.01 0.25 -0.21 -0.63 0.00 0.00 0.00 174.94 174.34 1uxl s ILE 18 N 0.89 1.78 0.07 2.92 -1.09 -0.07 -2.40 121.20 123.30 1uxl s ILE 18 Ca -0.11 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 1uxl s ILE 18 Cb -0.15 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1uxl s ILE 18 CO 0.01 0.50 0.07 0.20 -1.23 0.00 0.00 174.94 174.48 1uxl s ASN 19 N 0.20 5.48 -0.01 3.58 -0.87 0.77 -0.59 114.94 123.50 1uxl s ASN 19 Ca -0.11 -0.01 0.03 0.00 -1.57 0.00 0.00 52.86 51.20 1uxl s ASN 19 Cb -0.15 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.25 39.61 1uxl s ASN 19 CO 0.05 0.18 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.30 1uxl s PHE 20 N -1.36 1.01 -0.06 2.20 0.40 0.13 -1.53 117.98 118.77 1uxl s PHE 20 Ca 0.28 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1uxl s PHE 20 Cb -0.12 -0.67 0.03 0.00 0.51 0.00 0.00 43.02 42.77 1uxl s PHE 20 CO 0.21 -0.04 0.13 -2.00 0.70 0.00 0.00 175.22 174.22 1uxl s GLU 21 N -0.16 0.10 -0.28 0.44 2.12 -0.39 -0.87 118.70 119.66 1uxl s GLU 21 Ca 0.02 0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 1uxl s GLU 21 Cb -0.05 -0.12 0.09 0.00 0.26 0.00 0.00 34.13 34.31 1uxl s GLU 21 CO -0.00 -0.13 0.07 -1.14 -0.54 0.00 0.00 175.26 173.52 1uxl s GLN 22 N 0.87 0.84 0.25 4.30 0.74 0.30 -0.71 119.66 126.26 1uxl s GLN 22 Ca -0.07 -1.00 -0.03 0.00 0.05 0.00 0.00 55.36 54.31 1uxl s GLN 22 Cb -0.09 -2.14 0.31 0.00 1.10 0.00 0.00 33.01 32.19 1uxl s GLN 22 CO -0.04 -0.89 1.79 0.87 -0.55 0.00 0.00 175.29 176.47 1uxl h LYS 23 N 8.07 0.92 -5.28 1.67 1.79 -1.83 -1.01 116.57 120.90 1uxl h LYS 23 Ca -0.14 -0.20 -0.45 0.00 -2.18 0.00 0.00 60.65 57.67 1uxl h LYS 23 Cb 1.04 -0.13 -0.26 0.00 -1.58 0.00 0.00 32.23 31.30 1uxl h LYS 23 CO 0.45 0.83 -0.80 -1.21 -1.08 0.00 0.00 179.45 177.64 1uxl s GLU 24 N -5.21 0.99 0.60 3.15 2.02 -1.26 -4.20 118.70 114.79 1uxl s GLU 24 Ca -0.10 -0.65 -0.19 0.00 0.02 0.00 0.00 54.97 54.05 1uxl s GLU 24 Cb 0.15 -0.98 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 1uxl s GLU 24 CO 0.82 0.25 1.25 -1.54 0.02 0.00 0.00 175.26 176.06 1uxl s SER 25 N -0.83 5.02 0.00 -0.19 1.04 -1.26 -0.31 113.70 117.17 1uxl s SER 25 Ca 0.03 2.49 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1uxl s SER 25 Cb -0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1uxl s SER 25 CO 0.01 -1.71 0.00 0.59 0.98 0.00 0.00 173.24 173.10 1uxl n ASN 26 N -1.62 -0.19 -4.45 7.02 5.03 -1.26 -4.96 115.26 114.84 1uxl n ASN 26 Ca 0.14 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.33 1uxl n ASN 26 Cb 0.49 -2.36 0.14 0.00 -1.02 0.00 0.00 39.78 37.03 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 -2.00 1.77 0.59 7.41 0.00 0.58 -5.05 107.32 110.62 1uxl s GLY 27 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.88 1uxl s GLY 27 CO 0.00 -0.97 1.22 -4.14 0.00 0.00 0.00 173.10 169.20 1uxl s PRO 28 N -5.42 2.99 -0.21 2.90 0.02 -1.26 -4.87 135.00 129.15 1uxl s PRO 28 Ca 0.70 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 1uxl s PRO 28 Cb -0.04 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1uxl s PRO 28 CO 0.48 -1.20 0.05 0.08 -0.33 0.00 0.00 177.00 176.08 1uxl s VAL 29 N -1.57 4.46 0.05 3.83 1.01 0.44 -4.31 120.40 124.30 1uxl s VAL 29 Ca 0.77 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 1uxl s VAL 29 Cb -0.31 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1uxl s VAL 29 CO 0.34 0.41 0.61 -0.54 0.00 0.00 0.00 175.10 175.92 1uxl s LYS 30 N 0.89 4.31 -0.11 2.72 1.02 0.11 -1.05 119.74 127.62 1uxl s LYS 30 Ca 0.03 0.80 -0.00 0.00 0.02 0.00 0.00 55.97 56.82 1uxl s LYS 30 Cb -0.14 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1uxl s LYS 30 CO 0.02 0.50 -0.07 0.08 -0.92 0.00 0.00 175.35 174.96 1uxl s VAL 31 N -0.67 0.98 0.06 3.17 1.01 0.26 -1.27 120.40 123.94 1uxl s VAL 31 Ca 0.31 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1uxl s VAL 31 Cb -0.19 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1uxl s VAL 31 CO 0.19 0.36 0.40 -1.66 0.00 0.00 0.00 175.10 174.39 1uxl s TRP 32 N 1.73 -0.23 -5.00 5.22 -2.14 -0.58 -0.93 118.94 117.00 1uxl s TRP 32 Ca 0.05 0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.94 1uxl s TRP 32 Cb -0.13 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 1uxl s TRP 32 CO -0.08 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 1uxl n GLY 33 N 0.38 -0.85 3.05 3.67 0.00 -0.97 -0.16 105.19 110.30 1uxl n GLY 33 Ca -0.18 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 1.36 -0.08 1.61 0.15 -1.01 -0.56 113.70 111.18 1uxl s SER 34 Ca 0.00 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1uxl s SER 34 Cb 0.00 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1uxl s SER 34 CO 0.00 0.12 -0.14 -0.63 1.20 0.00 0.00 173.24 173.78 1uxl s ILE 35 N -0.09 1.32 0.40 6.45 1.01 -0.10 -2.11 121.20 128.07 1uxl s ILE 35 Ca 0.01 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1uxl s ILE 35 Cb -0.06 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1uxl s ILE 35 CO 0.00 0.40 0.30 -1.59 0.00 0.00 0.00 174.94 174.04 1uxl s LYS 36 N 0.65 2.47 0.00 2.79 -2.85 0.15 -0.01 119.74 122.94 1uxl s LYS 36 Ca -0.14 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 1uxl s LYS 36 Cb -0.16 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 1uxl s LYS 36 CO 0.04 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.80 1uxl n GLY 37 N -1.41 0.49 3.90 0.59 0.00 -0.93 -2.29 105.19 105.53 1uxl n GLY 37 Ca 0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 4.36 0.46 0.99 1.43 -0.61 -4.35 118.68 120.97 1uxl s LEU 38 Ca 0.00 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 1uxl s LEU 38 Cb 0.00 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 1uxl s LEU 38 CO 0.00 0.24 1.29 0.42 0.23 0.00 0.00 176.35 178.53 1uxl s THR 39 N -1.35 2.59 0.19 5.49 -4.23 -1.26 -4.09 115.64 112.97 1uxl s THR 39 Ca 0.29 0.48 -0.33 0.00 -1.18 0.00 0.00 61.69 60.95 1uxl s THR 39 Cb -0.13 -3.26 -0.14 0.00 1.34 0.00 0.00 72.50 70.31 1uxl s THR 39 CO 0.19 0.03 1.52 1.21 -0.54 0.00 0.00 174.62 177.03 1uxl n GLU 40 N -0.35 2.11 0.00 3.99 2.13 -1.26 -4.56 120.64 122.70 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 0.45 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 2.94 0.55 3.80 8.31 0.00 -0.44 -4.92 105.19 115.43 1uxl n GLY 41 Ca 0.15 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 4.49 -0.04 0.99 1.43 -1.26 -1.17 118.68 123.12 1uxl s LEU 42 Ca 0.00 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1uxl s LEU 42 Cb 0.00 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.90 1uxl s LEU 42 CO 0.00 0.15 -0.00 -1.00 0.23 0.00 0.00 176.35 175.73 1uxl s HIS 43 N -1.29 0.41 0.53 0.29 3.76 0.34 -2.96 115.29 116.36 1uxl s HIS 43 Ca 0.37 -0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 55.03 1uxl s HIS 43 Cb -0.20 -0.49 -0.06 0.00 1.11 0.00 0.00 32.58 32.94 1uxl s HIS 43 CO 0.23 -0.16 1.18 0.41 -0.85 0.00 0.00 174.74 175.55 1uxl n GLY 44 N 4.25 0.28 2.74 -2.22 0.00 -0.30 -0.74 105.19 109.20 1uxl n GLY 44 Ca -0.24 0.02 -0.19 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 -1.34 -0.28 0.04 1.61 5.36 -0.05 -0.91 117.98 122.41 1uxl s PHE 45 Ca 0.70 0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 56.73 1uxl s PHE 45 Cb -0.45 -0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.78 1uxl s PHE 45 CO 0.51 -0.69 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.55 1uxl s HIS 46 N 2.32 0.42 -0.24 10.12 3.76 -0.72 -2.72 115.29 128.23 1uxl s HIS 46 Ca 0.08 -0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 53.93 1uxl s HIS 46 Cb -0.15 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1uxl s HIS 46 CO -0.18 -0.32 0.51 0.08 -0.85 0.00 0.00 174.74 173.97 1uxl s VAL 47 N -3.11 5.09 0.27 -0.90 1.01 -0.05 -0.90 120.40 121.81 1uxl s VAL 47 Ca -0.01 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 1uxl s VAL 47 Cb 0.02 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1uxl s VAL 47 CO -0.07 0.13 0.48 -1.00 0.00 0.00 0.00 175.10 174.64 1uxl s HIS 48 N 2.03 3.48 0.17 5.22 3.76 0.17 -0.65 115.29 129.48 1uxl s HIS 48 Ca 0.22 0.43 -0.14 0.00 -0.15 0.00 0.00 55.06 55.42 1uxl s HIS 48 Cb -0.15 -1.94 0.09 0.00 1.11 0.00 0.00 32.58 31.69 1uxl s HIS 48 CO 0.09 0.25 1.81 1.49 -0.85 0.00 0.00 174.74 177.53 1uxl h GLU 49 N 1.57 0.55 -5.80 1.40 4.81 -0.55 -2.66 114.58 113.90 1uxl h GLU 49 Ca -0.48 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.05 1uxl h GLU 49 Cb 1.20 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.30 1uxl h GLU 49 CO 0.66 0.36 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.63 1uxl s PHE 50 N -6.14 3.18 -0.25 0.92 0.08 -0.29 -4.66 117.98 110.82 1uxl s PHE 50 Ca -0.13 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1uxl s PHE 50 Cb 0.13 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1uxl s PHE 50 CO 0.73 0.39 2.99 0.41 -0.10 0.00 0.00 175.22 179.65 1uxl n GLY 51 N 2.45 3.73 3.15 4.36 0.00 -1.08 -3.53 105.19 114.27 1uxl n GLY 51 Ca -0.18 -1.47 -0.35 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 1.04 4.85 -0.25 1.61 -1.08 -1.26 -4.95 116.67 116.63 1uxl s ASP 52 Ca 0.56 -1.35 0.13 0.00 -0.52 0.00 0.00 52.55 51.37 1uxl s ASP 52 Cb 0.33 -1.70 0.59 0.00 -1.46 0.00 0.00 42.92 40.68 1uxl s ASP 52 CO -0.11 -0.27 1.55 -3.20 0.52 0.00 0.00 175.17 173.66 1uxl n ASN 53 N 4.59 3.81 0.21 -0.34 5.15 -1.26 -2.96 115.26 124.45 1uxl n ASN 53 Ca -0.12 -3.28 0.05 0.00 -0.60 0.00 0.00 54.58 50.63 1uxl n ASN 53 Cb 0.43 -0.63 0.46 0.00 -0.53 0.00 0.00 39.78 39.51 1uxl n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1uxl h THR 54 N 1.84 1.11 -1.32 -0.44 1.35 -1.93 -2.74 112.91 110.78 1uxl h THR 54 Ca 0.14 -0.95 -0.56 0.00 -0.55 0.00 0.00 66.41 64.48 1uxl h THR 54 Cb 1.78 1.53 -0.42 0.00 -1.73 0.00 0.00 68.15 69.30 1uxl h THR 54 CO 0.43 0.27 -0.78 0.00 -0.25 0.00 0.00 175.52 175.18 1uxl n ALA 55 N -2.45 4.93 -0.80 6.62 0.00 -1.26 -5.06 120.51 122.49 1uxl n ALA 55 Ca -0.02 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.29 1uxl n ALA 55 Cb 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.50 1.98 0.19 0.00 0.00 -1.04 -2.72 105.19 103.10 1uxl n GLY 56 Ca 0.38 -0.54 0.13 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 1.18 0.00 0.00 2.02 -1.85 -2.56 112.91 111.70 1uxl h THR 58 Ca 0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1uxl h THR 58 Cb 0.72 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1uxl h THR 58 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1uxl n SER 59 N -4.32 0.00 0.03 4.18 3.41 -1.22 -3.14 113.62 112.55 1uxl n SER 59 Ca 0.02 -0.37 0.09 0.00 -0.26 0.00 0.00 58.87 58.35 1uxl n SER 59 Cb 0.21 -0.18 0.38 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.18 1.76 -0.41 7.33 0.00 -0.96 -4.47 120.51 122.57 1uxl n ALA 60 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1uxl n ALA 60 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.20 -0.73 2.80 0.00 0.00 -1.19 -1.14 105.19 105.13 1uxl n GLY 61 Ca 0.04 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.17 -0.68 -1.77 1.61 -0.04 -1.26 -4.62 135.00 128.07 1uxl n PRO 62 Ca 0.00 -1.61 -0.41 0.00 -0.04 0.00 0.00 63.50 61.44 1uxl n PRO 62 Cb 0.00 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1uxl n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uxl n HIS 63 N -3.11 2.89 -1.66 0.54 8.25 -1.26 -0.28 115.22 120.58 1uxl n HIS 63 Ca 0.12 0.45 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 1uxl n HIS 63 Cb 0.42 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 1uxl n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uxl n PHE 64 N 0.27 2.48 -2.94 4.41 7.35 0.18 -4.45 117.46 124.76 1uxl n PHE 64 Ca 0.02 -0.32 -0.14 0.00 -0.76 0.00 0.00 57.45 56.25 1uxl n PHE 64 Cb 0.39 -2.79 0.02 0.00 0.35 0.00 0.00 39.48 37.46 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 7.44 -1.09 0.26 -2.13 5.15 -1.26 -1.50 115.26 122.13 1uxl n ASN 65 Ca 0.21 -3.28 0.18 0.00 -0.60 0.00 0.00 54.58 51.08 1uxl n ASN 65 Cb 0.39 0.76 0.86 0.00 -0.53 0.00 0.00 39.78 41.26 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 3.31 0.00 -0.67 1.20 0.13 -1.93 -2.17 132.00 131.86 1uxl h PRO 66 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1uxl h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1uxl h PRO 66 CO 0.33 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.38 1uxl n LEU 67 N -2.81 3.89 -3.94 1.56 4.77 -1.26 -4.98 117.00 114.23 1uxl n LEU 67 Ca -0.01 -1.89 -0.27 0.00 -0.03 0.00 0.00 56.01 53.81 1uxl n LEU 67 Cb 0.15 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1uxl n LEU 67 CO 0.20 0.95 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.89 1uxl n SER 68 N 1.65 -1.60 -4.97 -1.43 7.64 -0.82 -4.98 113.62 109.11 1uxl n SER 68 Ca 0.24 -0.94 -0.19 0.00 1.01 0.00 0.00 58.87 58.99 1uxl n SER 68 Cb 0.63 -3.34 0.03 0.00 -1.01 0.00 0.00 64.21 60.52 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 -6.50 2.57 0.57 1.43 0.52 -1.26 -5.11 118.95 111.16 1uxl s ARG 69 Ca 0.21 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.26 1uxl s ARG 69 Cb -0.11 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1uxl s ARG 69 CO 0.87 -0.60 0.90 0.15 0.02 0.00 0.00 175.30 176.64 1uxl s LYS 70 N -4.61 3.25 0.39 3.54 1.02 -1.26 -4.74 119.74 117.33 1uxl s LYS 70 Ca 0.58 0.25 -0.26 0.00 0.02 0.00 0.00 55.97 56.55 1uxl s LYS 70 Cb -0.09 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 1uxl s LYS 70 CO 0.37 -0.54 1.29 -1.58 -0.92 0.00 0.00 175.35 173.96 1uxl s HIS 71 N -2.98 2.89 0.00 3.18 5.65 0.21 -3.33 115.29 120.91 1uxl s HIS 71 Ca 0.52 1.43 -0.00 0.00 0.25 0.00 0.00 55.06 57.26 1uxl s HIS 71 Cb -0.11 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1uxl s HIS 71 CO 0.47 -1.95 0.00 0.41 -0.65 0.00 0.00 174.74 173.03 1uxl n GLY 72 N 0.69 2.92 3.96 1.59 0.00 -1.25 -4.40 105.19 108.71 1uxl n GLY 72 Ca 0.03 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.02 1.70 0.59 -0.02 0.00 -1.18 -4.60 107.32 102.80 1uxl s GLY 73 Ca 0.00 -1.16 0.34 0.00 0.00 0.00 0.00 44.72 43.90 1uxl s GLY 73 CO 0.00 -0.92 2.21 -0.56 0.00 0.00 0.00 173.10 173.83 1uxl h PRO 74 N 0.17 0.00 0.00 2.90 0.13 -1.86 -1.66 132.00 131.67 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uxl h PRO 74 CO 0.55 0.04 -0.13 1.63 -0.23 0.00 0.00 178.00 179.85 1uxl n LYS 75 N -3.47 0.09 -3.09 0.86 5.02 -1.26 -4.87 118.16 111.43 1uxl n LYS 75 Ca -0.02 0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1uxl n LYS 75 Cb 0.15 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.47 6.96 0.12 4.39 1.01 -0.63 -4.97 116.67 120.09 1uxl s ASP 76 Ca 0.12 1.39 -0.14 0.00 0.71 0.00 0.00 52.55 54.63 1uxl s ASP 76 Cb 0.17 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1uxl s ASP 76 CO 0.59 -0.07 1.56 -0.08 0.21 0.00 0.00 175.17 177.38 1uxl h GLU 77 N 2.95 0.72 -5.93 8.23 4.81 -1.89 -3.38 114.58 120.08 1uxl h GLU 77 Ca -0.48 -0.24 -0.58 0.00 -0.13 0.00 0.00 59.36 57.93 1uxl h GLU 77 Cb 1.19 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 1uxl h GLU 77 CO 0.65 0.81 0.88 -2.00 -0.73 0.00 0.00 179.01 178.62 1uxl s GLU 78 N -4.96 3.20 0.19 1.92 2.56 -1.26 -4.93 118.70 115.41 1uxl s GLU 78 Ca -0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 54.97 54.05 1uxl s GLU 78 Cb 0.10 -4.30 0.05 0.00 2.00 0.00 0.00 34.13 31.98 1uxl s GLU 78 CO 0.80 -2.01 0.60 -0.98 -0.56 0.00 0.00 175.26 173.11 1uxl s ARG 79 N 4.92 1.39 0.47 4.30 1.70 -1.21 -3.81 118.95 126.71 1uxl s ARG 79 Ca 0.31 -0.66 -0.20 0.00 -0.47 0.00 0.00 55.73 54.70 1uxl s ARG 79 Cb -0.11 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.75 1uxl s ARG 79 CO 0.11 -0.61 1.00 -1.01 -1.08 0.00 0.00 175.30 173.71 1uxl s HIS 80 N -3.81 3.13 0.34 5.89 3.76 -1.22 -4.67 115.29 118.71 1uxl s HIS 80 Ca 0.05 1.59 0.07 0.00 -0.15 0.00 0.00 55.06 56.61 1uxl s HIS 80 Cb -0.02 -2.97 0.74 0.00 1.11 0.00 0.00 32.58 31.44 1uxl s HIS 80 CO -0.07 -0.53 1.88 0.28 -0.85 0.00 0.00 174.74 175.45 1uxl h VAL 81 N 1.68 0.90 0.00 -0.90 2.07 -1.83 -1.87 116.25 116.29 1uxl h VAL 81 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1uxl h VAL 81 Cb 1.20 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1uxl h VAL 81 CO 0.60 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1uxl n GLY 82 N -1.42 -0.97 3.53 2.17 0.00 -0.56 -4.30 105.19 103.64 1uxl n GLY 82 Ca 0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1uxl n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxl s ASP 83 N -1.58 6.35 -0.00 1.61 1.01 -0.71 -0.87 116.67 122.49 1uxl s ASP 83 Ca 0.26 -1.10 0.21 0.00 0.71 0.00 0.00 52.55 52.63 1uxl s ASP 83 Cb 0.12 -2.53 0.60 0.00 1.01 0.00 0.00 42.92 42.13 1uxl s ASP 83 CO 0.20 -1.57 1.50 0.18 0.21 0.00 0.00 175.17 175.70 1uxl n LEU 84 N 8.65 3.67 0.00 1.23 4.77 -1.10 -3.54 117.00 130.67 1uxl n LEU 84 Ca 0.16 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 1uxl n LEU 84 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uxl n LEU 84 CO 0.66 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1uxl n GLY 85 N 1.59 0.60 3.60 -0.72 0.00 -1.22 -4.78 105.19 104.26 1uxl n GLY 85 Ca 0.23 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 4.36 0.24 1.61 0.01 -1.26 -0.87 114.94 115.03 1uxl s ASN 86 Ca 0.00 -0.60 0.11 0.00 -0.71 0.00 0.00 52.86 51.66 1uxl s ASN 86 Cb 0.00 -0.77 -0.05 0.00 0.41 0.00 0.00 41.25 40.85 1uxl s ASN 86 CO 0.00 0.07 -0.14 0.68 -1.51 0.00 0.00 177.10 176.20 1uxl s VAL 87 N -1.92 2.85 -0.15 1.60 -7.23 0.08 -4.90 120.40 110.72 1uxl s VAL 87 Ca 0.27 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1uxl s VAL 87 Cb -0.08 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1uxl s VAL 87 CO 0.17 -0.28 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.60 1uxl s THR 88 N -2.15 2.37 0.02 5.32 2.01 -1.26 -0.51 115.64 121.44 1uxl s THR 88 Ca 0.28 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 1uxl s THR 88 Cb -0.07 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1uxl s THR 88 CO 0.15 0.53 0.37 0.00 -0.69 0.00 0.00 174.62 174.99 1uxl s ALA 89 N 0.85 3.73 0.87 7.40 0.00 -0.31 -4.19 121.76 130.11 1uxl s ALA 89 Ca -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1uxl s ALA 89 Cb -0.15 -2.29 0.09 0.00 0.00 0.00 0.00 23.12 20.76 1uxl s ALA 89 CO -0.02 0.53 0.53 -0.40 0.00 0.00 0.00 175.76 176.41 1uxl n ASP 90 N 1.49 0.19 0.29 0.00 5.68 0.19 -1.32 116.55 123.07 1uxl n ASP 90 Ca -0.12 -1.29 0.19 0.00 -0.50 0.00 0.00 54.79 53.07 1uxl n ASP 90 Cb 0.53 -0.39 0.98 0.00 -1.14 0.00 0.00 41.12 41.09 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 -0.02 0.11 2.10 -1.97 -0.18 116.57 116.62 1uxl h LYS 91 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1uxl h LYS 91 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1uxl h LYS 91 CO 0.14 0.00 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.22 1uxl n ASP 92 N -2.90 1.69 0.00 7.07 8.00 -1.26 -4.90 116.55 124.24 1uxl n ASP 92 Ca -0.02 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1uxl n ASP 92 Cb 0.12 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.27 0.71 3.56 0.44 0.00 -0.08 -4.75 105.19 106.34 1uxl n GLY 93 Ca 0.15 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 4.54 -0.38 1.61 1.01 -1.26 -1.57 120.40 122.36 1uxl s VAL 94 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1uxl s VAL 94 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1uxl s VAL 94 CO 0.00 0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.76 1uxl s ALA 95 N 0.79 3.39 -0.93 5.51 0.00 0.99 -0.64 121.76 130.87 1uxl s ALA 95 Ca 0.03 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 1uxl s ALA 95 Cb -0.14 -2.69 0.14 0.00 0.00 0.00 0.00 23.12 20.44 1uxl s ALA 95 CO 0.02 -1.30 1.09 -0.51 0.00 0.00 0.00 175.76 175.07 1uxl s ASP 96 N 1.63 6.67 0.18 0.00 1.01 -1.26 -0.92 116.67 123.97 1uxl s ASP 96 Ca 0.04 -2.17 -0.30 0.00 0.71 0.00 0.00 52.55 50.82 1uxl s ASP 96 Cb -0.19 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1uxl s ASP 96 CO 0.08 -0.98 1.34 -0.69 0.21 0.00 0.00 175.17 175.13 1uxl s VAL 97 N 2.30 3.21 -0.27 -1.27 1.01 0.28 -4.89 120.40 120.77 1uxl s VAL 97 Ca 0.31 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1uxl s VAL 97 Cb -0.05 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.86 1uxl s VAL 97 CO -0.09 0.12 0.38 -0.55 0.00 0.00 0.00 175.10 174.96 1uxl s SER 98 N 0.55 0.48 0.03 3.32 0.15 -1.25 -2.30 113.70 114.69 1uxl s SER 98 Ca 0.59 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1uxl s SER 98 Cb -0.37 1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1uxl s SER 98 CO 0.36 -0.33 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 1uxl s ILE 99 N 2.52 0.64 -0.06 6.45 1.01 -0.11 -5.01 121.20 126.65 1uxl s ILE 99 Ca 0.11 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1uxl s ILE 99 Cb -0.14 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1uxl s ILE 99 CO -0.24 -0.21 -0.15 -0.70 0.00 0.00 0.00 174.94 173.65 1uxl s GLU 100 N -1.22 1.79 -0.00 2.79 2.12 -1.26 -0.58 118.70 122.34 1uxl s GLU 100 Ca -0.05 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1uxl s GLU 100 Cb -0.08 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.81 1uxl s GLU 100 CO 0.01 0.13 -0.01 0.34 -0.54 0.00 0.00 175.26 175.19 1uxl s ASP 101 N 0.35 0.09 0.00 -1.70 2.15 -0.22 -4.96 116.67 112.38 1uxl s ASP 101 Ca -0.10 -0.01 0.15 0.00 0.43 0.00 0.00 52.55 53.02 1uxl s ASP 101 Cb -0.14 -0.01 0.30 0.00 -0.30 0.00 0.00 42.92 42.77 1uxl s ASP 101 CO 0.03 0.00 1.20 -1.20 -0.17 0.00 0.00 175.17 175.04 1uxl n SER 102 N 3.10 2.86 -0.14 -0.34 7.64 -1.26 -0.42 113.62 125.05 1uxl n SER 102 Ca -0.13 -1.85 -0.26 0.00 1.01 0.00 0.00 58.87 57.64 1uxl n SER 102 Cb 0.59 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.85 1.52 -0.88 0.44 0.31 -1.26 -4.89 118.33 114.42 1uxl n VAL 103 Ca 0.13 -0.44 -0.31 0.00 -0.01 0.00 0.00 64.34 63.71 1uxl n VAL 103 Cb 0.44 -1.74 0.15 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.51 2.46 0.19 2.52 -4.36 -1.26 -4.87 121.20 113.37 1uxl s ILE 104 Ca -0.38 0.15 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 1uxl s ILE 104 Cb 0.13 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1uxl s ILE 104 CO 0.52 -0.19 0.38 -0.55 0.24 0.00 0.00 174.94 175.34 1uxl s SER 105 N -2.91 -0.06 -0.03 4.36 0.15 -0.97 -4.67 113.70 109.57 1uxl s SER 105 Ca 0.65 -0.80 0.15 0.00 0.70 0.00 0.00 55.95 56.65 1uxl s SER 105 Cb -0.21 0.50 0.46 0.00 -1.71 0.00 0.00 66.02 65.06 1uxl s SER 105 CO 0.58 -0.98 1.38 0.18 1.20 0.00 0.00 173.24 175.60 1uxl n LEU 106 N -0.28 3.49 -3.92 3.45 4.77 -1.26 -1.31 117.00 121.93 1uxl n LEU 106 Ca -0.07 -2.16 -0.09 0.00 -0.03 0.00 0.00 56.01 53.66 1uxl n LEU 106 Cb 0.63 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1uxl n LEU 106 CO 0.22 0.80 0.15 -0.94 -1.33 0.00 0.00 177.39 176.28 1uxl s SER 107 N -1.09 -0.10 0.34 -1.43 1.04 -1.26 -4.88 113.70 106.32 1uxl s SER 107 Ca 0.35 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1uxl s SER 107 Cb 0.20 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1uxl s SER 107 CO 0.20 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1uxl n GLY 108 N -0.33 -1.09 0.24 7.32 0.00 -1.26 -3.28 105.19 106.79 1uxl n GLY 108 Ca -0.05 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.49 1.61 3.32 -2.01 -1.84 116.42 117.01 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 0.17 0.00 1.41 -1.72 0.00 0.00 179.24 179.10 1uxl n HIS 110 N -3.95 0.91 -1.82 4.55 8.25 -1.26 -4.97 115.22 116.93 1uxl n HIS 110 Ca -0.02 -0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 56.63 1uxl n HIS 110 Cb 0.26 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 3.22 0.00 -2.02 0.00 -5.35 -0.43 -4.92 119.36 109.86 1uxl n ILE 112 Ca 0.12 -0.16 -0.41 0.00 -0.27 0.00 0.00 62.75 62.03 1uxl n ILE 112 Cb 0.37 1.13 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 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 -2.58 2.52 0.00 7.28 -4.23 -1.26 -1.51 115.64 115.86 1uxl s THR 113 Ca 0.13 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1uxl s THR 113 Cb 0.16 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1uxl s THR 113 CO 0.66 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 1uxl n GLY 114 N 0.70 0.84 2.03 3.99 0.00 0.79 -5.00 105.19 108.55 1uxl n GLY 114 Ca 0.00 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 -2.21 1.04 -4.88 1.61 1.74 -0.57 -2.62 116.66 110.77 1uxl n ARG 115 Ca 0.00 -1.82 -0.33 0.00 -0.77 0.00 0.00 57.85 54.94 1uxl n ARG 115 Cb 0.00 0.17 -0.15 0.00 -1.02 0.00 0.00 32.46 31.46 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 -1.41 2.86 -0.09 0.55 2.01 -1.00 -0.73 115.64 117.83 1uxl s THR 116 Ca 0.18 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 1uxl s THR 116 Cb -0.01 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1uxl s THR 116 CO 0.11 0.54 0.53 -0.22 -0.69 0.00 0.00 174.62 174.89 1uxl s LEU 117 N 0.22 4.31 -0.05 4.42 2.96 -0.29 0.46 118.68 130.71 1uxl s LEU 117 Ca -0.10 0.93 0.04 0.00 -0.22 0.00 0.00 54.13 54.78 1uxl s LEU 117 Cb -0.16 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 1uxl s LEU 117 CO 0.06 0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.24 1uxl s VAL 118 N 0.48 1.37 -0.10 1.68 1.01 -0.08 -2.07 120.40 122.69 1uxl s VAL 118 Ca 0.29 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1uxl s VAL 118 Cb -0.16 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1uxl s VAL 118 CO 0.13 0.40 -0.02 0.54 0.00 0.00 0.00 175.10 176.14 1uxl s VAL 119 N 0.16 4.06 0.32 2.92 0.11 -0.70 -1.76 120.40 125.52 1uxl s VAL 119 Ca -0.06 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1uxl s VAL 119 Cb -0.12 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 1uxl s VAL 119 CO 0.03 0.57 0.26 -1.00 -3.33 0.00 0.00 175.10 171.63 1uxl s HIS 120 N -0.52 2.93 0.17 1.54 3.76 -0.09 -1.17 115.29 121.91 1uxl s HIS 120 Ca 0.09 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1uxl s HIS 120 Cb -0.12 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 31.94 1uxl s HIS 120 CO 0.02 0.26 1.77 1.49 -0.85 0.00 0.00 174.74 177.42 1uxl h GLU 121 N 1.31 0.84 -5.48 1.40 4.81 -0.78 -3.38 114.58 113.30 1uxl h GLU 121 Ca -0.45 -0.12 -0.61 0.00 -0.13 0.00 0.00 59.36 58.05 1uxl h GLU 121 Cb 1.25 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 1uxl h GLU 121 CO 0.59 0.67 -0.58 0.15 -0.73 0.00 0.00 179.01 179.10 1uxl s LYS 122 N -5.75 1.95 0.45 1.92 1.02 -0.01 -4.92 119.74 114.39 1uxl s LYS 122 Ca -0.13 -2.13 -0.24 0.00 0.02 0.00 0.00 55.97 53.49 1uxl s LYS 122 Cb 0.13 -1.45 -0.08 0.00 -0.52 0.00 0.00 37.83 35.92 1uxl s LYS 122 CO 0.78 -0.15 1.26 0.00 -0.92 0.00 0.00 175.35 176.32 1uxl s ALA 123 N -2.86 3.08 -0.11 5.17 0.00 -1.16 -1.15 121.76 124.74 1uxl s ALA 123 Ca 0.30 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 53.13 1uxl s ALA 123 Cb 0.08 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1uxl s ALA 123 CO 0.15 -0.85 0.89 0.34 0.00 0.00 0.00 175.76 176.29 1uxl s ASP 124 N -1.00 7.11 0.00 0.00 -1.08 -1.26 -3.77 116.67 116.67 1uxl s ASP 124 Ca 0.62 1.35 0.05 0.00 -0.52 0.00 0.00 52.55 54.05 1uxl s ASP 124 Cb -0.35 -2.50 0.16 0.00 -1.46 0.00 0.00 42.92 38.78 1uxl s ASP 124 CO 0.44 -0.36 1.13 -0.90 0.52 0.00 0.00 175.17 176.00 1uxl n ASP 125 N 4.78 0.69 -2.31 -0.34 5.68 0.14 -4.87 116.55 120.31 1uxl n ASP 125 Ca 0.05 -1.97 -0.20 0.00 -0.50 0.00 0.00 54.79 52.17 1uxl n ASP 125 Cb 0.49 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.14 -1.80 -0.04 -2.12 4.77 -1.26 -1.64 117.00 114.76 1uxl n LEU 126 Ca 0.05 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1uxl n LEU 126 Cb 0.11 -2.84 -0.00 0.00 -2.33 0.00 0.00 43.42 38.36 1uxl n LEU 126 CO 0.03 -0.30 -0.01 0.61 -1.33 0.00 0.00 177.39 176.40 1uxl n GLY 127 N -0.92 0.48 0.97 -0.72 0.00 -1.26 -3.10 105.19 100.64 1uxl n GLY 127 Ca -0.23 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.78 3.14 0.07 1.61 5.02 -0.65 -4.59 118.16 119.97 1uxl n LYS 128 Ca -0.01 -2.60 0.13 0.00 -2.02 0.00 0.00 58.31 53.81 1uxl n LYS 128 Cb 0.04 -1.68 0.30 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.16 -1.52 3.14 0.72 0.00 -1.26 -4.96 105.19 101.47 1uxl n GLY 129 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.35 0.93 3.80 -0.02 0.00 -1.26 -4.96 105.19 105.03 1uxl n GLY 130 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.90 4.65 0.25 1.61 4.22 -1.26 -5.03 114.94 116.48 1uxl s ASN 131 Ca 0.00 -1.00 -0.04 0.00 -2.14 0.00 0.00 52.86 49.68 1uxl s ASN 131 Cb 0.00 -0.39 0.36 0.00 1.28 0.00 0.00 41.25 42.50 1uxl s ASN 131 CO 0.00 -0.65 1.87 -0.33 -2.04 0.00 0.00 177.10 175.95 1uxl h GLU 132 N 1.22 1.08 -0.05 3.55 5.08 -2.02 -2.36 114.58 121.07 1uxl h GLU 132 Ca -0.42 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1uxl h GLU 132 Cb 1.26 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1uxl h GLU 132 CO 0.64 0.71 -0.22 1.49 -1.00 0.00 0.00 179.01 180.64 1uxl h GLU 133 N 1.11 0.09 -0.83 2.33 4.57 -1.99 -2.78 114.58 117.08 1uxl h GLU 133 Ca 0.40 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1uxl h GLU 133 Cb 0.13 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1uxl h GLU 133 CO -0.16 0.31 0.52 1.03 -1.18 0.00 0.00 179.01 179.53 1uxl h SER 134 N 0.08 0.97 0.61 1.04 0.87 -1.76 0.23 113.55 115.59 1uxl h SER 134 Ca 0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1uxl h SER 134 Cb 0.44 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1uxl h SER 134 CO 0.03 0.73 0.00 0.35 -0.53 0.00 0.00 176.83 177.41 1uxl n THR 135 N -4.39 0.45 -0.05 2.23 -2.24 -1.05 -2.32 114.28 106.90 1uxl n THR 135 Ca 0.09 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1uxl n THR 135 Cb 0.05 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.42 0.25 0.00 -0.78 5.02 -0.61 -0.62 118.16 120.00 1uxl n LYS 136 Ca 0.07 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1uxl n LYS 136 Cb 0.22 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 -3.60 0.00 -1.20 -0.18 -2.24 -0.03 -4.68 114.28 102.36 1uxl n THR 137 Ca -0.20 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 1uxl n THR 137 Cb 0.59 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.33 0.88 2.60 3.38 0.00 -0.98 -3.01 105.19 108.39 1uxl n GLY 138 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 0.20 -5.80 0.00 1.61 3.02 -1.25 -0.68 115.26 112.37 1uxl n ASN 139 Ca -0.07 -0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1uxl n ASN 139 Cb 0.29 -4.79 0.58 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.51 2.19 -0.44 5.41 0.00 -1.16 -4.68 120.51 119.32 1uxl n ALA 140 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1uxl n ALA 140 Cb 0.66 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.81 0.05 3.74 0.00 0.00 -1.26 -0.83 105.19 107.70 1uxl n GLY 141 Ca 0.10 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.96 -0.44 1.61 1.04 -1.26 -4.60 113.70 110.01 1uxl s SER 142 Ca 0.00 1.69 -0.18 0.00 0.48 0.00 0.00 55.95 57.94 1uxl s SER 142 Cb 0.00 -2.37 0.03 0.00 0.10 0.00 0.00 66.02 63.78 1uxl s SER 142 CO 0.00 -2.36 0.49 -0.13 0.98 0.00 0.00 173.24 172.22 1uxl s ARG 143 N -4.90 3.12 0.01 4.02 0.52 -1.26 -0.58 118.95 119.87 1uxl s ARG 143 Ca 0.62 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1uxl s ARG 143 Cb -0.18 -3.99 -0.25 0.00 0.52 0.00 0.00 34.95 31.05 1uxl s ARG 143 CO 0.57 -0.93 0.87 -0.07 0.02 0.00 0.00 175.30 175.76 1uxl h LEU 144 N 9.22 0.22 -7.22 2.53 3.38 -1.45 -3.48 115.31 118.51 1uxl h LEU 144 Ca -0.26 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 1uxl h LEU 144 Cb 1.11 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.63 1uxl h LEU 144 CO 0.83 1.27 0.03 0.00 0.09 0.00 0.00 178.44 180.66 1uxl s ALA 145 N -2.63 -1.28 0.29 1.53 0.00 -1.17 -4.18 121.76 114.32 1uxl s ALA 145 Ca -0.06 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 1uxl s ALA 145 Cb 0.08 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1uxl s ALA 145 CO 0.84 -0.54 0.73 0.00 0.00 0.00 0.00 175.76 176.79 1uxl s GLY 147 N -2.93 -0.42 0.06 0.00 0.00 -0.88 -1.45 107.32 101.70 1uxl s GLY 147 Ca 0.11 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 45.78 1uxl s GLY 147 CO 0.07 0.49 0.93 0.14 0.00 0.00 0.00 173.10 174.73 1uxl s VAL 148 N -2.68 4.66 -0.17 1.40 1.01 -1.26 -1.14 120.40 122.22 1uxl s VAL 148 Ca 0.04 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 1uxl s VAL 148 Cb -0.01 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1uxl s VAL 148 CO -0.06 0.28 1.02 -0.63 0.00 0.00 0.00 175.10 175.70 1uxl s ILE 149 N 0.31 4.74 0.27 2.22 1.01 0.09 -4.52 121.20 125.31 1uxl s ILE 149 Ca 0.47 2.02 0.11 0.00 0.00 0.00 0.00 60.65 63.25 1uxl s ILE 149 Cb -0.22 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 1uxl s ILE 149 CO 0.28 -0.08 -0.15 -0.83 0.00 0.00 0.00 174.94 174.15 1uxl s GLY 150 N 1.15 1.81 0.17 6.18 0.00 0.13 -0.15 107.32 116.61 1uxl s GLY 150 Ca 0.46 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 1uxl s GLY 150 CO 0.12 -1.87 1.31 -0.42 0.00 0.00 0.00 173.10 172.25 1uxl s ILE 151 N -2.36 3.31 0.26 0.90 1.01 -1.26 -0.87 121.20 122.18 1uxl s ILE 151 Ca 0.29 1.03 0.11 0.00 0.00 0.00 0.00 60.65 62.09 1uxl s ILE 151 Cb -0.06 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1uxl s ILE 151 CO 0.16 0.13 -0.15 0.00 0.00 0.00 0.00 174.94 175.08 1uxl s ALA 152 N 0.41 2.83 -2.00 9.38 0.00 -0.60 -4.80 121.76 126.99 1uxl s ALA 152 Ca 0.58 -1.76 0.22 0.00 0.00 0.00 0.00 51.96 51.01 1uxl s ALA 152 Cb -0.36 -0.43 1.31 0.00 0.00 0.00 0.00 23.12 23.65 1uxl s ALA 152 CO 0.36 0.31 1.69 0.94 0.00 0.00 0.00 175.76 179.06