#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxl n THR 2 N 0.00 0.97 -4.33 0.00 -2.24 -1.26 -4.67 114.28 102.75 1uxl n THR 2 Ca 0.00 -0.68 -0.21 0.00 -2.27 0.00 0.00 64.05 60.89 1uxl n THR 2 Cb 0.00 -0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 67.57 1uxl n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uxl s LYS 3 N -2.99 1.00 0.15 -0.78 1.02 -1.26 -0.07 119.74 116.81 1uxl s LYS 3 Ca -0.05 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 1uxl s LYS 3 Cb 0.09 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 1uxl s LYS 3 CO 0.83 0.25 0.10 0.00 -0.92 0.00 0.00 175.35 175.61 1uxl s ALA 4 N -1.02 0.81 0.05 5.17 0.00 -0.35 -1.25 121.76 125.17 1uxl s ALA 4 Ca 0.02 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 1uxl s ALA 4 Cb -0.09 0.96 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1uxl s ALA 4 CO 0.02 -0.53 0.34 0.54 0.00 0.00 0.00 175.76 176.13 1uxl s VAL 5 N -4.06 0.08 -0.11 0.00 0.11 0.17 -0.99 120.40 115.59 1uxl s VAL 5 Ca 0.26 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 1uxl s VAL 5 Cb 0.07 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1uxl s VAL 5 CO 0.03 -0.34 0.25 0.00 -3.33 0.00 0.00 175.10 171.71 1uxl s VAL 7 N 1.53 5.29 -0.13 0.00 1.01 -1.26 -1.00 120.40 125.84 1uxl s VAL 7 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1uxl s VAL 7 Cb -0.11 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1uxl s VAL 7 CO -0.08 0.04 0.39 -0.76 0.00 0.00 0.00 175.10 174.69 1uxl s LEU 8 N 1.73 4.27 0.05 3.92 1.43 0.61 -3.92 118.68 126.77 1uxl s LEU 8 Ca 0.06 0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1uxl s LEU 8 Cb -0.17 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 1uxl s LEU 8 CO 0.11 0.06 0.10 -0.54 0.23 0.00 0.00 176.35 176.30 1uxl s LYS 9 N 0.48 0.65 0.00 1.70 1.02 -0.56 -1.93 119.74 121.10 1uxl s LYS 9 Ca 0.22 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1uxl s LYS 9 Cb -0.14 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1uxl s LYS 9 CO 0.08 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1uxl n GLY 10 N 0.48 3.57 0.15 -3.33 0.00 -1.23 -0.92 105.19 103.90 1uxl n GLY 10 Ca -0.17 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.78 1.61 3.32 -1.92 -3.46 116.42 115.19 1uxl h ASP 11 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 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 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1uxl n GLY 12 N 1.20 3.66 0.24 2.75 0.00 -1.26 -5.03 105.19 106.75 1uxl n GLY 12 Ca 0.04 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.25 1uxl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxl n PRO 13 N 0.00 1.15 -2.51 1.61 -0.04 -1.26 -4.89 135.00 129.06 1uxl n PRO 13 Ca 0.00 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.54 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 -2.19 4.38 0.07 0.52 1.01 -1.26 -4.33 120.40 118.60 1uxl s VAL 14 Ca 0.36 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.82 1uxl s VAL 14 Cb 0.21 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1uxl s VAL 14 CO 0.40 -0.01 0.49 0.00 0.00 0.00 0.00 175.10 175.97 1uxl s GLN 15 N 2.28 1.04 0.00 2.72 -2.07 -0.77 -3.58 119.66 119.28 1uxl s GLN 15 Ca 0.54 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 1uxl s GLN 15 Cb -0.23 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1uxl s GLN 15 CO 0.20 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1uxl n GLY 16 N 0.23 -0.63 3.07 2.60 0.00 -0.81 -0.57 105.19 109.07 1uxl n GLY 16 Ca -0.18 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 1.53 -0.11 -0.61 1.01 -0.96 -0.28 121.20 119.78 1uxl s ILE 17 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1uxl s ILE 17 Cb 0.00 -1.39 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1uxl s ILE 17 CO 0.00 0.45 -0.21 -0.63 0.00 0.00 0.00 174.94 174.55 1uxl s ILE 18 N 0.94 2.33 0.02 2.92 -1.09 -0.17 -2.41 121.20 123.74 1uxl s ILE 18 Ca -0.07 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 1uxl s ILE 18 Cb -0.15 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1uxl s ILE 18 CO -0.01 0.55 0.10 0.20 -1.23 0.00 0.00 174.94 174.55 1uxl s ASN 19 N 0.35 5.76 -0.03 3.58 -0.87 0.12 -1.00 114.94 122.85 1uxl s ASN 19 Ca -0.17 0.14 0.05 0.00 -1.57 0.00 0.00 52.86 51.31 1uxl s ASN 19 Cb -0.17 -1.66 -0.01 0.00 -0.02 0.00 0.00 41.25 39.39 1uxl s ASN 19 CO 0.08 0.24 -0.17 -0.36 -2.57 0.00 0.00 177.10 174.31 1uxl s PHE 20 N -1.28 1.64 -0.01 2.20 0.40 -0.16 -1.24 117.98 119.52 1uxl s PHE 20 Ca 0.26 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1uxl s PHE 20 Cb -0.12 -1.09 0.02 0.00 0.51 0.00 0.00 43.02 42.34 1uxl s PHE 20 CO 0.18 -0.11 0.02 -2.00 0.70 0.00 0.00 175.22 174.00 1uxl s GLU 21 N -0.12 0.00 -0.19 0.44 2.12 -0.09 -1.21 118.70 119.65 1uxl s GLU 21 Ca 0.00 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 1uxl s GLU 21 Cb -0.10 -0.20 0.06 0.00 0.26 0.00 0.00 34.13 34.15 1uxl s GLU 21 CO 0.01 -0.12 0.04 -1.14 -0.54 0.00 0.00 175.26 173.51 1uxl s GLN 22 N 0.76 0.62 0.15 4.30 0.74 0.90 -0.82 119.66 126.31 1uxl s GLN 22 Ca -0.06 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 54.90 1uxl s GLN 22 Cb -0.09 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1uxl s GLN 22 CO -0.02 -0.64 1.38 0.87 -0.55 0.00 0.00 175.29 176.33 1uxl h LYS 23 N 8.26 0.53 -6.21 1.67 1.79 -1.82 -3.40 116.57 117.38 1uxl h LYS 23 Ca -0.16 -0.45 -0.67 0.00 -2.18 0.00 0.00 60.65 57.20 1uxl h LYS 23 Cb 1.12 0.10 -0.30 0.00 -1.58 0.00 0.00 32.23 31.56 1uxl h LYS 23 CO 0.33 1.07 -0.88 -1.21 -1.08 0.00 0.00 179.45 177.69 1uxl s GLU 24 N -3.63 2.13 0.42 3.15 2.02 -1.26 -5.03 118.70 116.50 1uxl s GLU 24 Ca -0.07 -0.86 0.16 0.00 0.02 0.00 0.00 54.97 54.22 1uxl s GLU 24 Cb 0.10 -1.95 1.05 0.00 0.10 0.00 0.00 34.13 33.42 1uxl s GLU 24 CO 0.86 0.46 1.88 0.66 0.02 0.00 0.00 175.26 179.14 1uxl h SER 25 N 5.75 0.42 -0.63 -0.19 4.64 -1.97 0.39 113.55 121.96 1uxl h SER 25 Ca -0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1uxl h SER 25 Cb 1.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1uxl h SER 25 CO 0.47 0.19 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 1uxl n ASN 26 N -4.50 4.45 -4.98 4.97 6.94 -1.26 -4.91 115.26 115.98 1uxl n ASN 26 Ca 0.17 -2.35 -0.21 0.00 -0.02 0.00 0.00 54.58 52.17 1uxl n ASN 26 Cb 0.61 -0.54 0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1uxl n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uxl s GLY 27 N -0.98 1.98 0.68 4.83 0.00 0.14 -5.08 107.32 108.88 1uxl s GLY 27 Ca 0.49 -1.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.23 1uxl s GLY 27 CO 0.25 -1.73 1.16 -4.14 0.00 0.00 0.00 173.10 168.65 1uxl s PRO 28 N -4.45 2.55 -0.20 2.90 0.02 -1.26 -4.84 135.00 129.73 1uxl s PRO 28 Ca 0.52 1.62 -0.05 0.00 0.02 0.00 0.00 61.00 63.11 1uxl s PRO 28 Cb -0.05 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1uxl s PRO 28 CO 0.32 -1.48 -0.01 0.08 -0.33 0.00 0.00 177.00 175.57 1uxl s VAL 29 N -2.06 3.84 0.01 3.83 1.01 0.68 -4.37 120.40 123.33 1uxl s VAL 29 Ca 0.72 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1uxl s VAL 29 Cb -0.26 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1uxl s VAL 29 CO 0.41 0.44 0.72 -0.54 0.00 0.00 0.00 175.10 176.13 1uxl s LYS 30 N 0.99 4.45 -0.11 2.72 1.02 0.00 -1.04 119.74 127.77 1uxl s LYS 30 Ca 0.01 0.96 0.01 0.00 0.02 0.00 0.00 55.97 56.97 1uxl s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1uxl s LYS 30 CO 0.01 0.25 -0.12 0.08 -0.92 0.00 0.00 175.35 174.66 1uxl s VAL 31 N 0.10 1.30 0.07 3.17 1.01 0.55 -0.91 120.40 125.69 1uxl s VAL 31 Ca 0.37 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1uxl s VAL 31 Cb -0.19 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1uxl s VAL 31 CO 0.21 0.41 0.50 -1.66 0.00 0.00 0.00 175.10 174.55 1uxl s TRP 32 N 1.32 -0.38 -5.00 5.22 1.48 -0.37 -0.81 118.94 120.39 1uxl s TRP 32 Ca -0.01 0.34 0.00 0.00 -1.06 0.00 0.00 56.10 55.37 1uxl s TRP 32 Cb -0.14 0.33 0.00 0.00 -1.16 0.00 0.00 33.47 32.51 1uxl s TRP 32 CO -0.05 -0.66 0.00 0.41 -4.06 0.00 0.00 176.95 172.58 1uxl n GLY 33 N 0.26 -0.25 3.00 3.67 0.00 -1.04 0.15 105.19 110.97 1uxl n GLY 33 Ca -0.18 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 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 1.21 -0.10 1.61 0.15 -1.01 -0.26 113.70 111.31 1uxl s SER 34 Ca 0.00 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1uxl s SER 34 Cb 0.00 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1uxl s SER 34 CO 0.00 0.06 -0.22 -0.63 1.20 0.00 0.00 173.24 173.65 1uxl s ILE 35 N 0.24 1.89 0.40 6.45 1.01 -0.45 -2.26 121.20 128.48 1uxl s ILE 35 Ca -0.04 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1uxl s ILE 35 Cb -0.09 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.67 1uxl s ILE 35 CO 0.01 0.52 0.06 -1.59 0.00 0.00 0.00 174.94 173.94 1uxl s LYS 36 N 0.43 2.06 0.00 2.79 -2.85 0.26 -0.23 119.74 122.21 1uxl s LYS 36 Ca -0.17 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 52.84 1uxl s LYS 36 Cb -0.17 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.79 1uxl s LYS 36 CO 0.07 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.90 1uxl n GLY 37 N -1.05 0.58 3.90 0.59 0.00 -0.97 -1.86 105.19 106.40 1uxl n GLY 37 Ca -0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 4.12 0.44 0.99 1.43 -0.71 -4.27 118.68 120.68 1uxl s LEU 38 Ca 0.00 0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 1uxl s LEU 38 Cb 0.00 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 1uxl s LEU 38 CO 0.00 -0.13 1.11 0.42 0.23 0.00 0.00 176.35 177.98 1uxl s THR 39 N -1.98 3.38 0.27 5.49 -4.23 -1.26 -4.06 115.64 113.25 1uxl s THR 39 Ca 0.43 1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 61.67 1uxl s THR 39 Cb -0.11 -3.52 -0.13 0.00 1.34 0.00 0.00 72.50 70.08 1uxl s THR 39 CO 0.28 -0.02 1.43 1.21 -0.54 0.00 0.00 174.62 176.98 1uxl n GLU 40 N -0.35 2.18 0.00 3.99 2.13 -1.26 -4.56 120.64 122.77 1uxl n GLU 40 Ca 0.06 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1uxl n GLU 40 Cb 0.49 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.75 1uxl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uxl n GLY 41 N 1.95 0.21 3.78 8.31 0.00 -0.24 -4.91 105.19 114.29 1uxl n GLY 41 Ca 0.10 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 4.57 -0.03 0.99 1.43 -1.26 -0.71 118.68 123.66 1uxl s LEU 42 Ca 0.00 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1uxl s LEU 42 Cb 0.00 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.01 1uxl s LEU 42 CO 0.00 0.20 -0.00 -1.00 0.23 0.00 0.00 176.35 175.78 1uxl s HIS 43 N -1.04 0.37 0.52 0.29 3.76 0.35 -2.92 115.29 116.62 1uxl s HIS 43 Ca 0.35 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 1uxl s HIS 43 Cb -0.22 -0.46 -0.06 0.00 1.11 0.00 0.00 32.58 32.95 1uxl s HIS 43 CO 0.25 -0.15 1.22 0.41 -0.85 0.00 0.00 174.74 175.62 1uxl n GLY 44 N 4.22 0.38 2.73 -2.22 0.00 -0.01 -0.76 105.19 109.52 1uxl n GLY 44 Ca -0.25 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.32 -0.22 0.04 1.61 5.36 -0.09 -0.52 117.98 122.83 1uxl s PHE 45 Ca 0.70 0.09 -0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1uxl s PHE 45 Cb -0.45 -0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 41.78 1uxl s PHE 45 CO 0.51 -0.63 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.60 1uxl s HIS 46 N 2.30 0.41 -0.19 10.12 3.76 -0.72 -2.58 115.29 128.39 1uxl s HIS 46 Ca 0.07 -0.76 -0.19 0.00 -0.15 0.00 0.00 55.06 54.03 1uxl s HIS 46 Cb -0.16 -0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.21 1uxl s HIS 46 CO -0.14 -0.26 0.52 0.08 -0.85 0.00 0.00 174.74 174.09 1uxl s VAL 47 N -2.54 5.11 0.25 -0.90 1.01 0.02 -0.96 120.40 122.38 1uxl s VAL 47 Ca -0.05 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1uxl s VAL 47 Cb -0.02 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1uxl s VAL 47 CO -0.05 0.19 0.39 -1.00 0.00 0.00 0.00 175.10 174.63 1uxl s HIS 48 N 1.51 3.47 0.17 5.22 3.76 0.14 -0.66 115.29 128.89 1uxl s HIS 48 Ca 0.25 0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.11 1uxl s HIS 48 Cb -0.15 -1.66 0.06 0.00 1.11 0.00 0.00 32.58 31.94 1uxl s HIS 48 CO 0.10 0.39 1.75 1.49 -0.85 0.00 0.00 174.74 177.62 1uxl h GLU 49 N 1.26 0.78 -5.80 1.40 4.81 -0.54 -2.84 114.58 113.66 1uxl h GLU 49 Ca -0.51 -0.11 -0.67 0.00 -0.13 0.00 0.00 59.36 57.94 1uxl h GLU 49 Cb 1.22 -0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.27 1uxl h GLU 49 CO 0.62 0.64 -0.66 -0.06 -0.73 0.00 0.00 179.01 178.82 1uxl s PHE 50 N -5.73 3.03 -0.31 0.92 0.08 -0.14 -4.67 117.98 111.17 1uxl s PHE 50 Ca -0.13 -0.04 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 1uxl s PHE 50 Cb 0.12 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 1uxl s PHE 50 CO 0.77 0.24 2.99 0.41 -0.10 0.00 0.00 175.22 179.53 1uxl n GLY 51 N 2.66 3.91 3.23 4.36 0.00 -1.12 -3.65 105.19 114.57 1uxl n GLY 51 Ca -0.18 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 0.86 5.11 -0.18 1.61 -1.08 -1.26 -4.95 116.67 116.77 1uxl s ASP 52 Ca 0.59 -1.19 0.17 0.00 -0.52 0.00 0.00 52.55 51.60 1uxl s ASP 52 Cb 0.35 -1.80 0.55 0.00 -1.46 0.00 0.00 42.92 40.57 1uxl s ASP 52 CO -0.14 -0.29 1.44 -3.20 0.52 0.00 0.00 175.17 173.50 1uxl n ASN 53 N 4.73 3.98 0.24 -0.34 5.15 -1.26 -3.09 115.26 124.66 1uxl n ASN 53 Ca -0.13 -3.03 0.09 0.00 -0.60 0.00 0.00 54.58 50.91 1uxl n ASN 53 Cb 0.44 -0.56 0.59 0.00 -0.53 0.00 0.00 39.78 39.72 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 1.92 0.83 -0.99 -0.44 1.35 -1.92 -2.39 112.91 111.26 1uxl h THR 54 Ca 0.00 -0.73 -0.56 0.00 -0.55 0.00 0.00 66.41 64.57 1uxl h THR 54 Cb 1.48 1.43 -0.43 0.00 -1.73 0.00 0.00 68.15 68.91 1uxl h THR 54 CO 0.24 0.19 -0.78 0.00 -0.25 0.00 0.00 175.52 174.92 1uxl n ALA 55 N -2.37 5.05 -0.66 6.62 0.00 -1.26 -5.06 120.51 122.83 1uxl n ALA 55 Ca -0.02 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.47 1uxl n ALA 55 Cb 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.64 1.15 0.25 0.00 0.00 -0.90 -3.04 105.19 102.01 1uxl n GLY 56 Ca 0.43 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 1.08 -0.01 0.00 2.02 -1.88 -2.37 112.91 111.75 1uxl h THR 58 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1uxl h THR 58 Cb 0.71 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1uxl h THR 58 CO 0.01 0.09 0.00 -1.54 0.37 0.00 0.00 175.52 174.45 1uxl n SER 59 N -4.46 0.25 0.07 4.18 3.41 -1.21 -3.54 113.62 112.33 1uxl n SER 59 Ca -0.00 -1.27 0.11 0.00 -0.26 0.00 0.00 58.87 57.45 1uxl n SER 59 Cb 0.12 -0.01 0.44 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.71 1.89 -0.18 7.33 0.00 -0.89 -4.43 120.51 123.51 1uxl n ALA 60 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1uxl n ALA 60 Cb 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.49 -1.57 3.60 0.00 0.00 -1.23 -0.97 105.19 105.52 1uxl n GLY 61 Ca 0.04 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.06 -1.76 1.61 -0.04 -1.26 -4.59 135.00 127.69 1uxl n PRO 62 Ca 0.00 -2.00 -0.40 0.00 -0.04 0.00 0.00 63.50 61.06 1uxl n PRO 62 Cb 0.00 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.59 2.61 -2.02 0.54 8.25 -1.26 -0.30 115.22 119.45 1uxl n HIS 63 Ca 0.16 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 1uxl n HIS 63 Cb 0.54 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.18 1uxl n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1uxl s PHE 64 N -1.21 2.21 -0.41 4.41 5.36 0.16 -4.45 117.98 124.06 1uxl s PHE 64 Ca 0.63 0.31 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 1uxl s PHE 64 Cb -0.45 -3.89 0.31 0.00 -0.34 0.00 0.00 43.02 38.65 1uxl s PHE 64 CO 0.56 -3.67 0.81 -1.71 -1.46 0.00 0.00 175.22 169.76 1uxl n ASN 65 N 6.49 -0.62 0.25 6.13 5.15 -1.26 -1.34 115.26 130.06 1uxl n ASN 65 Ca 0.16 -3.17 0.17 0.00 -0.60 0.00 0.00 54.58 51.14 1uxl n ASN 65 Cb 0.42 0.37 0.73 0.00 -0.53 0.00 0.00 39.78 40.77 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 3.32 0.00 -0.39 1.20 0.13 -1.98 -2.24 132.00 132.04 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 -2.83 3.35 -3.53 1.56 4.77 -1.26 -4.99 117.00 114.07 1uxl n LEU 67 Ca 0.00 -1.46 -0.20 0.00 -0.03 0.00 0.00 56.01 54.32 1uxl n LEU 67 Cb 0.22 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1uxl n LEU 67 CO 0.23 0.73 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.81 1uxl n SER 68 N 1.41 -3.34 -4.83 -1.43 7.64 -0.84 -5.01 113.62 107.22 1uxl n SER 68 Ca 0.19 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 59.03 1uxl n SER 68 Cb 0.59 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.27 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 -5.45 2.25 0.58 1.43 0.52 -1.26 -5.13 118.95 111.89 1uxl s ARG 69 Ca 0.19 -2.01 -0.06 0.00 -0.52 0.00 0.00 55.73 53.32 1uxl s ARG 69 Cb -0.04 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 1uxl s ARG 69 CO 0.78 -0.39 0.90 0.15 0.02 0.00 0.00 175.30 176.76 1uxl s LYS 70 N -4.08 3.10 0.36 3.54 1.02 -1.26 -4.71 119.74 117.70 1uxl s LYS 70 Ca 0.32 0.13 -0.28 0.00 0.02 0.00 0.00 55.97 56.16 1uxl s LYS 70 Cb 0.00 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 1uxl s LYS 70 CO 0.18 -0.61 1.27 -1.58 -0.92 0.00 0.00 175.35 173.70 1uxl s HIS 71 N -2.98 3.03 0.00 3.18 5.65 -0.21 -3.08 115.29 120.87 1uxl s HIS 71 Ca 0.53 1.45 0.00 0.00 0.25 0.00 0.00 55.06 57.29 1uxl s HIS 71 Cb -0.11 -3.61 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 1uxl s HIS 71 CO 0.46 -1.76 0.00 0.41 -0.65 0.00 0.00 174.74 173.20 1uxl n GLY 72 N 0.77 2.88 3.95 1.59 0.00 -1.25 -4.38 105.19 108.76 1uxl n GLY 72 Ca 0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.85 1.59 0.59 -0.02 0.00 -1.19 -4.64 107.32 102.81 1uxl s GLY 73 Ca 0.00 -1.08 0.31 0.00 0.00 0.00 0.00 44.72 43.95 1uxl s GLY 73 CO 0.00 -0.90 2.25 -0.56 0.00 0.00 0.00 173.10 173.89 1uxl h PRO 74 N 0.36 0.00 0.00 2.90 0.13 -1.85 -1.67 132.00 131.87 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 0.57 0.01 -0.14 1.63 -0.23 0.00 0.00 178.00 179.84 1uxl n LYS 75 N -3.74 0.18 -2.91 0.86 5.02 -1.26 -4.87 118.16 111.44 1uxl n LYS 75 Ca -0.03 0.12 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 1uxl n LYS 75 Cb 0.10 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.96 7.17 0.14 4.39 1.01 -0.63 -4.97 116.67 119.82 1uxl s ASP 76 Ca 0.11 1.65 -0.12 0.00 0.71 0.00 0.00 52.55 54.90 1uxl s ASP 76 Cb 0.15 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 1uxl s ASP 76 CO 0.61 -0.08 1.56 -0.08 0.21 0.00 0.00 175.17 177.39 1uxl h GLU 77 N 3.05 0.88 -5.45 8.23 4.57 -1.89 -3.39 114.58 120.59 1uxl h GLU 77 Ca -0.47 -0.33 -0.63 0.00 -1.18 0.00 0.00 59.36 56.74 1uxl h GLU 77 Cb 1.19 -0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.58 1uxl h GLU 77 CO 0.65 0.98 0.54 -2.00 -1.18 0.00 0.00 179.01 177.99 1uxl s GLU 78 N -4.82 3.12 0.16 1.92 2.56 -1.26 -4.94 118.70 115.43 1uxl s GLU 78 Ca -0.12 -0.82 -0.24 0.00 0.00 0.00 0.00 54.97 53.80 1uxl s GLU 78 Cb 0.11 -4.22 0.06 0.00 2.00 0.00 0.00 34.13 32.09 1uxl s GLU 78 CO 0.84 -1.80 0.69 -0.98 -0.56 0.00 0.00 175.26 173.44 1uxl s ARG 79 N 4.04 1.30 0.48 4.30 1.70 -1.18 -3.86 118.95 125.74 1uxl s ARG 79 Ca 0.22 -0.55 -0.20 0.00 -0.47 0.00 0.00 55.73 54.73 1uxl s ARG 79 Cb -0.17 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 1uxl s ARG 79 CO 0.10 -0.58 1.02 -1.01 -1.08 0.00 0.00 175.30 173.75 1uxl s HIS 80 N -3.66 3.08 0.35 5.89 3.76 -1.19 -4.68 115.29 118.83 1uxl s HIS 80 Ca 0.04 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.61 1uxl s HIS 80 Cb -0.02 -3.01 0.79 0.00 1.11 0.00 0.00 32.58 31.45 1uxl s HIS 80 CO -0.08 -0.68 1.87 0.28 -0.85 0.00 0.00 174.74 175.28 1uxl h VAL 81 N 1.55 0.86 0.00 -0.90 2.07 -1.86 -1.74 116.25 116.22 1uxl h VAL 81 Ca -0.49 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1uxl h VAL 81 Cb 1.21 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1uxl h VAL 81 CO 0.59 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1uxl n GLY 82 N -1.43 -0.99 3.51 2.17 0.00 -0.45 -4.47 105.19 103.54 1uxl n GLY 82 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.39 6.46 0.00 1.61 1.01 -0.66 -0.80 116.67 122.90 1uxl s ASP 83 Ca 0.18 -1.46 0.22 0.00 0.71 0.00 0.00 52.55 52.20 1uxl s ASP 83 Cb 0.08 -2.50 0.51 0.00 1.01 0.00 0.00 42.92 42.02 1uxl s ASP 83 CO 0.14 -1.40 1.44 0.18 0.21 0.00 0.00 175.17 175.74 1uxl n LEU 84 N 8.08 2.94 0.00 1.23 4.77 -1.07 -3.47 117.00 129.48 1uxl n LEU 84 Ca 0.22 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1uxl n LEU 84 Cb 0.50 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1uxl n LEU 84 CO 0.61 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1uxl n GLY 85 N 1.40 0.50 3.60 -0.72 0.00 -1.20 -4.76 105.19 104.00 1uxl n GLY 85 Ca 0.18 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 0.19 1.61 0.01 -1.26 -0.92 114.94 114.93 1uxl s ASN 86 Ca 0.00 -0.60 0.11 0.00 -0.71 0.00 0.00 52.86 51.65 1uxl s ASN 86 Cb 0.00 -0.77 -0.04 0.00 0.41 0.00 0.00 41.25 40.85 1uxl s ASN 86 CO 0.00 0.07 -0.20 0.68 -1.51 0.00 0.00 177.10 176.14 1uxl s VAL 87 N -1.94 2.58 -0.13 1.60 -7.23 0.06 -4.91 120.40 110.44 1uxl s VAL 87 Ca 0.27 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1uxl s VAL 87 Cb -0.08 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 1uxl s VAL 87 CO 0.17 -0.10 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.79 1uxl s THR 88 N -1.65 2.58 -0.05 5.32 2.01 -1.26 -0.50 115.64 122.09 1uxl s THR 88 Ca 0.22 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1uxl s THR 88 Cb -0.08 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1uxl s THR 88 CO 0.11 0.53 0.23 0.00 -0.69 0.00 0.00 174.62 174.80 1uxl s ALA 89 N 0.56 3.85 0.90 7.40 0.00 0.11 -4.19 121.76 130.39 1uxl s ALA 89 Ca -0.11 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1uxl s ALA 89 Cb -0.16 -2.06 0.11 0.00 0.00 0.00 0.00 23.12 21.00 1uxl s ALA 89 CO 0.04 0.61 0.64 -0.40 0.00 0.00 0.00 175.76 176.65 1uxl n ASP 90 N 1.62 0.20 0.15 0.00 5.68 0.50 -1.08 116.55 123.61 1uxl n ASP 90 Ca -0.16 -1.32 0.12 0.00 -0.50 0.00 0.00 54.79 52.93 1uxl n ASP 90 Cb 0.54 -0.47 0.55 0.00 -1.14 0.00 0.00 41.12 40.59 1uxl n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uxl n LYS 91 N -2.32 0.17 -0.20 0.11 2.85 -1.26 -1.00 118.16 116.51 1uxl n LYS 91 Ca 0.08 0.53 0.11 0.00 -1.05 0.00 0.00 58.31 57.99 1uxl n LYS 91 Cb 0.30 -1.93 0.26 0.00 -0.65 0.00 0.00 35.03 33.01 1uxl n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uxl n ASP 92 N -2.27 2.99 0.00 -5.58 8.00 -1.26 -4.89 116.55 113.53 1uxl n ASP 92 Ca 0.00 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1uxl n ASP 92 Cb 0.14 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.41 0.49 3.56 0.44 0.00 -0.17 -4.75 105.19 106.17 1uxl n GLY 93 Ca 0.19 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 4.51 -0.38 1.61 1.01 -1.26 -1.73 120.40 122.16 1uxl s VAL 94 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1uxl s VAL 94 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1uxl s VAL 94 CO 0.00 0.43 0.22 0.00 0.00 0.00 0.00 175.10 175.75 1uxl s ALA 95 N 0.73 3.32 -0.96 5.51 0.00 0.68 -0.37 121.76 130.67 1uxl s ALA 95 Ca 0.03 -1.70 -0.18 0.00 0.00 0.00 0.00 51.96 50.11 1uxl s ALA 95 Cb -0.14 -2.65 0.14 0.00 0.00 0.00 0.00 23.12 20.48 1uxl s ALA 95 CO 0.02 -1.37 1.14 -0.51 0.00 0.00 0.00 175.76 175.04 1uxl s ASP 96 N 1.59 6.70 0.20 0.00 1.01 -1.26 -1.34 116.67 123.56 1uxl s ASP 96 Ca 0.03 -2.21 -0.30 0.00 0.71 0.00 0.00 52.55 50.77 1uxl s ASP 96 Cb -0.19 -2.39 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1uxl s ASP 96 CO 0.07 -0.99 1.44 -0.69 0.21 0.00 0.00 175.17 175.21 1uxl s VAL 97 N 2.37 2.84 -0.28 -1.27 1.01 0.64 -4.90 120.40 120.82 1uxl s VAL 97 Ca 0.33 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1uxl s VAL 97 Cb -0.05 -3.42 0.15 0.00 0.00 0.00 0.00 36.38 33.05 1uxl s VAL 97 CO -0.08 0.09 0.36 -0.55 0.00 0.00 0.00 175.10 174.92 1uxl s SER 98 N 0.62 0.78 0.03 3.32 0.15 -1.25 -2.50 113.70 114.85 1uxl s SER 98 Ca 0.62 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1uxl s SER 98 Cb -0.41 0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1uxl s SER 98 CO 0.38 -0.35 -0.10 -0.63 1.20 0.00 0.00 173.24 173.73 1uxl s ILE 99 N 2.48 0.79 -0.09 6.45 1.01 0.01 -5.01 121.20 126.84 1uxl s ILE 99 Ca 0.10 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1uxl s ILE 99 Cb -0.13 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1uxl s ILE 99 CO -0.28 -0.11 -0.17 -0.70 0.00 0.00 0.00 174.94 173.68 1uxl s GLU 100 N -1.11 2.28 -0.04 2.79 2.12 -1.26 -0.33 118.70 123.15 1uxl s GLU 100 Ca -0.02 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.72 1uxl s GLU 100 Cb -0.08 -1.83 0.01 0.00 0.26 0.00 0.00 34.13 32.49 1uxl s GLU 100 CO 0.01 0.05 -0.09 0.34 -0.54 0.00 0.00 175.26 175.03 1uxl s ASP 101 N 0.65 1.32 0.00 -1.70 2.15 -0.21 -4.95 116.67 113.93 1uxl s ASP 101 Ca -0.14 -0.21 0.22 0.00 0.43 0.00 0.00 52.55 52.86 1uxl s ASP 101 Cb -0.16 -0.44 0.42 0.00 -0.30 0.00 0.00 42.92 42.44 1uxl s ASP 101 CO 0.04 0.05 1.39 -1.54 -0.17 0.00 0.00 175.17 174.93 1uxl n SER 102 N 3.48 3.44 -0.10 -0.34 3.41 -1.26 -0.23 113.62 122.02 1uxl n SER 102 Ca -0.20 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.29 1uxl n SER 102 Cb 0.53 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.44 1.17 -1.37 -3.33 0.31 -1.26 -4.83 118.33 110.47 1uxl n VAL 103 Ca 0.19 -0.45 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 1uxl n VAL 103 Cb 0.59 -1.23 0.09 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.41 3.39 0.03 2.52 -4.36 -1.26 -5.03 121.20 114.08 1uxl s ILE 104 Ca -0.27 0.45 -0.14 0.00 -0.26 0.00 0.00 60.65 60.42 1uxl s ILE 104 Cb 0.07 -3.03 0.02 0.00 1.25 0.00 0.00 42.46 40.77 1uxl s ILE 104 CO 0.47 -0.59 0.31 -0.55 0.24 0.00 0.00 174.94 174.82 1uxl s SER 105 N -3.56 -0.15 0.00 4.36 0.15 -1.20 -4.63 113.70 108.66 1uxl s SER 105 Ca 0.61 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.38 1uxl s SER 105 Cb -0.16 0.35 0.58 0.00 -1.71 0.00 0.00 66.02 65.08 1uxl s SER 105 CO 0.56 -0.58 1.50 0.18 1.20 0.00 0.00 173.24 176.10 1uxl n LEU 106 N 0.74 3.78 -4.07 3.45 4.77 -1.26 -0.63 117.00 123.78 1uxl n LEU 106 Ca -0.19 -1.81 -0.12 0.00 -0.03 0.00 0.00 56.01 53.86 1uxl n LEU 106 Cb 0.59 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1uxl n LEU 106 CO 0.21 0.90 0.11 -0.94 -1.33 0.00 0.00 177.39 176.34 1uxl s SER 107 N -1.17 0.47 0.17 -1.43 1.04 -1.26 -4.82 113.70 106.70 1uxl s SER 107 Ca 0.46 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1uxl s SER 107 Cb 0.25 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1uxl s SER 107 CO 0.33 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1uxl n GLY 108 N -0.46 0.77 0.11 7.32 0.00 -1.26 -3.82 105.19 107.84 1uxl n GLY 108 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 1uxl n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uxl n ASP 109 N 2.08 1.94 0.00 1.61 -0.08 -1.26 -4.10 116.55 116.74 1uxl n ASP 109 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1uxl n ASP 109 Cb 0.00 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1uxl n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1uxl n HIS 110 N -4.39 0.00 -4.43 -0.67 8.25 -1.26 -4.59 115.22 108.13 1uxl n HIS 110 Ca -0.29 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.85 1uxl n HIS 110 Cb 0.64 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.65 1uxl n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uxl n ILE 112 N 1.49 0.00 -2.21 0.00 -5.35 0.20 -4.91 119.36 108.58 1uxl n ILE 112 Ca -0.15 -0.03 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1uxl n ILE 112 Cb 0.52 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.08 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 -2.45 3.00 0.00 7.28 2.01 -1.26 -1.66 115.64 122.55 1uxl s THR 113 Ca 0.31 0.94 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1uxl s THR 113 Cb 0.20 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1uxl s THR 113 CO 0.45 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 1uxl n GLY 114 N 1.37 1.04 1.13 4.40 0.00 0.12 -4.99 105.19 108.27 1uxl n GLY 114 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1uxl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxl n ARG 115 N -2.00 1.18 -4.90 1.61 1.74 -0.67 -2.81 116.66 110.82 1uxl n ARG 115 Ca 0.00 -1.00 -0.33 0.00 -0.77 0.00 0.00 57.85 55.75 1uxl n ARG 115 Cb 0.00 0.08 -0.15 0.00 -1.02 0.00 0.00 32.46 31.37 1uxl n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxl s THR 116 N -0.67 2.83 -0.07 0.55 2.01 -1.07 -0.56 115.64 118.66 1uxl s THR 116 Ca 0.11 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 1uxl s THR 116 Cb -0.01 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1uxl s THR 116 CO 0.07 0.54 0.43 -0.22 -0.69 0.00 0.00 174.62 174.76 1uxl s LEU 117 N 0.12 4.35 -0.02 4.42 2.96 -0.23 0.26 118.68 130.55 1uxl s LEU 117 Ca -0.08 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1uxl s LEU 117 Cb -0.15 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 1uxl s LEU 117 CO 0.05 0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 1uxl s VAL 118 N -0.08 1.03 -0.11 1.68 1.01 -0.14 -1.92 120.40 121.87 1uxl s VAL 118 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1uxl s VAL 118 Cb -0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1uxl s VAL 118 CO 0.11 0.30 -0.11 0.54 0.00 0.00 0.00 175.10 175.94 1uxl s VAL 119 N -0.08 3.30 0.34 2.92 0.11 -0.79 -1.75 120.40 124.45 1uxl s VAL 119 Ca 0.01 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 1uxl s VAL 119 Cb -0.07 -2.37 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 1uxl s VAL 119 CO 0.00 0.55 0.40 -1.00 -3.33 0.00 0.00 175.10 171.72 1uxl s HIS 120 N -0.07 3.02 0.16 1.54 3.76 0.32 -1.10 115.29 122.91 1uxl s HIS 120 Ca -0.01 -0.26 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 1uxl s HIS 120 Cb -0.14 -1.93 0.05 0.00 1.11 0.00 0.00 32.58 31.67 1uxl s HIS 120 CO 0.03 0.06 1.80 1.49 -0.85 0.00 0.00 174.74 177.27 1uxl h GLU 121 N 1.03 0.66 -5.25 1.40 4.81 -0.78 -3.38 114.58 113.08 1uxl h GLU 121 Ca -0.45 -0.06 -0.63 0.00 -0.13 0.00 0.00 59.36 58.10 1uxl h GLU 121 Cb 1.26 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.36 1uxl h GLU 121 CO 0.55 0.47 -0.54 0.15 -0.73 0.00 0.00 179.01 178.92 1uxl s LYS 122 N -6.03 2.05 0.44 1.92 1.02 -0.07 -4.90 119.74 114.17 1uxl s LYS 122 Ca -0.13 -2.26 -0.24 0.00 0.02 0.00 0.00 55.97 53.36 1uxl s LYS 122 Cb 0.12 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 36.06 1uxl s LYS 122 CO 0.74 -0.32 1.18 0.00 -0.92 0.00 0.00 175.35 176.04 1uxl s ALA 123 N -2.96 3.05 -0.12 5.17 0.00 -1.15 -0.83 121.76 124.91 1uxl s ALA 123 Ca 0.18 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 1uxl s ALA 123 Cb 0.04 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1uxl s ALA 123 CO 0.09 -0.65 0.93 0.34 0.00 0.00 0.00 175.76 176.47 1uxl s ASP 124 N -1.23 7.13 0.00 0.00 -1.08 -1.26 -3.84 116.67 116.39 1uxl s ASP 124 Ca 0.61 1.39 0.19 0.00 -0.52 0.00 0.00 52.55 54.23 1uxl s ASP 124 Cb -0.30 -2.51 1.05 0.00 -1.46 0.00 0.00 42.92 39.70 1uxl s ASP 124 CO 0.37 -0.40 1.69 -0.90 0.52 0.00 0.00 175.17 176.45 1uxl n ASP 125 N 4.97 0.31 -1.73 -0.34 5.68 0.41 -4.87 116.55 120.98 1uxl n ASP 125 Ca 0.07 -1.47 -0.18 0.00 -0.50 0.00 0.00 54.79 52.71 1uxl n ASP 125 Cb 0.49 -0.02 -0.04 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 -0.58 -1.58 0.00 -2.12 4.77 -1.26 -1.94 117.00 114.28 1uxl n LEU 126 Ca 0.14 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1uxl n LEU 126 Cb 0.11 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 1uxl n LEU 126 CO 0.11 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1uxl n GLY 127 N -0.93 0.48 1.01 -0.72 0.00 -1.25 -3.15 105.19 100.63 1uxl n GLY 127 Ca -0.20 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 3.19 0.07 1.61 5.02 -0.82 -4.57 118.16 119.74 1uxl n LYS 128 Ca 0.00 -2.73 0.13 0.00 -2.02 0.00 0.00 58.31 53.69 1uxl n LYS 128 Cb 0.00 -1.78 0.30 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.05 -1.54 2.83 0.72 0.00 -1.26 -4.95 105.19 100.94 1uxl n GLY 129 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.34 0.71 3.76 -0.02 0.00 -1.26 -4.98 105.19 104.73 1uxl n GLY 130 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.57 4.40 0.18 1.61 4.22 -1.26 -5.04 114.94 116.48 1uxl s ASN 131 Ca 0.00 -1.17 -0.14 0.00 -2.14 0.00 0.00 52.86 49.41 1uxl s ASN 131 Cb 0.00 -0.26 0.15 0.00 1.28 0.00 0.00 41.25 42.42 1uxl s ASN 131 CO 0.00 -0.65 1.74 1.05 -2.04 0.00 0.00 177.10 177.20 1uxl h GLU 132 N 1.34 0.29 -0.67 3.55 -0.00 -2.01 -2.56 114.58 114.53 1uxl h GLU 132 Ca -0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 1uxl h GLU 132 Cb 1.26 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 1uxl h GLU 132 CO 0.69 0.19 0.43 1.49 -0.00 0.00 0.00 179.01 181.81 1uxl h GLU 133 N 0.29 0.89 -0.99 1.06 4.57 -1.99 -2.65 114.58 115.76 1uxl h GLU 133 Ca 0.22 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1uxl h GLU 133 Cb 0.25 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1uxl h GLU 133 CO -0.25 0.60 0.66 1.03 -1.18 0.00 0.00 179.01 179.86 1uxl h SER 134 N 0.91 1.12 0.32 1.04 0.87 -1.80 0.20 113.55 116.22 1uxl h SER 134 Ca 0.24 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1uxl h SER 134 Cb -0.09 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.60 1uxl h SER 134 CO -0.05 0.79 0.00 0.35 -0.53 0.00 0.00 176.83 177.39 1uxl n THR 135 N -4.40 0.08 -0.05 2.23 -2.24 -1.00 -2.33 114.28 106.57 1uxl n THR 135 Ca 0.12 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1uxl n THR 135 Cb 0.04 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.18 0.25 0.00 -0.78 5.02 -0.30 -1.05 118.16 120.12 1uxl n LYS 136 Ca 0.16 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1uxl n LYS 136 Cb 0.17 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.02 -0.18 -2.24 0.57 -4.68 114.28 103.12 1uxl n THR 137 Ca -0.21 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 1uxl n THR 137 Cb 0.59 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.48 0.46 3.11 3.38 0.00 -0.98 -3.58 105.19 108.06 1uxl n GLY 138 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 0.12 -5.54 -0.13 1.61 4.13 -1.26 -0.45 115.26 113.75 1uxl n ASN 139 Ca -0.01 -0.31 0.15 0.00 1.68 0.00 0.00 54.58 56.09 1uxl n ASN 139 Cb 0.10 -4.50 0.83 0.00 -1.54 0.00 0.00 39.78 34.67 1uxl n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uxl n ALA 140 N -3.56 2.66 -0.20 5.41 0.00 -1.24 -4.72 120.51 118.86 1uxl n ALA 140 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1uxl n ALA 140 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1uxl n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxl n GLY 141 N 1.06 -0.78 3.71 0.00 0.00 -1.26 -0.89 105.19 107.02 1uxl n GLY 141 Ca 0.22 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 3.28 -0.46 1.61 1.04 -1.26 -4.59 113.70 109.32 1uxl s SER 142 Ca 0.00 1.44 -0.18 0.00 0.48 0.00 0.00 55.95 57.69 1uxl s SER 142 Cb 0.00 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 64.05 1uxl s SER 142 CO 0.00 -2.75 0.51 -0.13 0.98 0.00 0.00 173.24 171.85 1uxl s ARG 143 N -4.93 3.09 0.07 4.02 0.52 -1.26 -0.63 118.95 119.83 1uxl s ARG 143 Ca 0.64 -0.89 -0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1uxl s ARG 143 Cb -0.18 -4.05 -0.29 0.00 0.52 0.00 0.00 34.95 30.96 1uxl s ARG 143 CO 0.57 -1.03 1.12 -0.07 0.02 0.00 0.00 175.30 175.91 1uxl h LEU 144 N 9.28 0.57 -7.15 2.53 3.38 -1.42 -3.47 115.31 119.02 1uxl h LEU 144 Ca -0.27 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.06 1uxl h LEU 144 Cb 1.10 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1uxl h LEU 144 CO 0.88 1.45 0.08 0.00 0.09 0.00 0.00 178.44 180.94 1uxl s ALA 145 N -2.71 -1.40 0.22 1.53 0.00 -1.18 -4.10 121.76 114.12 1uxl s ALA 145 Ca -0.06 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1uxl s ALA 145 Cb 0.06 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.68 1uxl s ALA 145 CO 0.90 -0.55 0.60 0.00 0.00 0.00 0.00 175.76 176.71 1uxl s GLY 147 N -2.87 -0.50 0.05 0.00 0.00 -0.81 -1.50 107.32 101.70 1uxl s GLY 147 Ca 0.09 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.91 1uxl s GLY 147 CO -0.01 0.12 0.84 0.14 0.00 0.00 0.00 173.10 174.19 1uxl s VAL 148 N -3.73 4.69 -0.19 1.40 1.01 -1.26 -1.06 120.40 121.26 1uxl s VAL 148 Ca 0.03 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 1uxl s VAL 148 Cb -0.02 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1uxl s VAL 148 CO -0.09 0.33 1.10 -0.63 0.00 0.00 0.00 175.10 175.81 1uxl s ILE 149 N 0.10 4.57 0.19 2.22 1.01 0.28 -4.49 121.20 125.08 1uxl s ILE 149 Ca 0.42 1.88 0.10 0.00 0.00 0.00 0.00 60.65 63.05 1uxl s ILE 149 Cb -0.21 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1uxl s ILE 149 CO 0.25 -0.14 -0.12 -0.83 0.00 0.00 0.00 174.94 174.10 1uxl s GLY 150 N 1.40 1.73 0.13 6.18 0.00 0.70 0.15 107.32 117.61 1uxl s GLY 150 Ca 0.48 -1.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.35 1uxl s GLY 150 CO 0.10 -1.57 1.49 -0.42 0.00 0.00 0.00 173.10 172.71 1uxl s ILE 151 N -1.78 2.98 0.22 0.90 1.01 -1.26 -0.66 121.20 122.60 1uxl s ILE 151 Ca 0.25 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.66 1uxl s ILE 151 Cb -0.08 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1uxl s ILE 151 CO 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 174.94 175.11 1uxl s ALA 152 N 1.30 3.14 -2.00 9.38 0.00 -0.38 -4.80 121.76 128.40 1uxl s ALA 152 Ca 0.68 -1.51 0.27 0.00 0.00 0.00 0.00 51.96 51.40 1uxl s ALA 152 Cb -0.40 -0.85 1.60 0.00 0.00 0.00 0.00 23.12 23.47 1uxl s ALA 152 CO 0.31 0.38 1.95 0.94 0.00 0.00 0.00 175.76 179.34