#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxm n THR 2 N 0.00 1.25 -4.93 0.00 -1.04 -1.26 -4.63 114.28 103.66 1uxm n THR 2 Ca 0.00 0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.78 1uxm n THR 2 Cb 0.00 -1.95 -0.15 0.00 -1.82 0.00 0.00 70.33 66.40 1uxm n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1uxm s LYS 3 N -2.49 1.63 0.10 -2.82 1.02 -1.26 -1.10 119.74 114.81 1uxm s LYS 3 Ca -0.22 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1uxm s LYS 3 Cb 0.06 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1uxm s LYS 3 CO 0.30 0.44 -0.01 0.08 -0.92 0.00 0.00 175.35 175.23 1uxm s VAL 4 N -0.57 0.37 0.00 3.17 1.01 -0.51 -1.52 120.40 122.34 1uxm s VAL 4 Ca 0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.08 1uxm s VAL 4 Cb -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1uxm s VAL 4 CO -0.00 -0.76 0.17 0.54 0.00 0.00 0.00 175.10 175.05 1uxm s VAL 5 N -3.84 0.08 -0.02 2.92 0.11 0.25 -1.92 120.40 117.97 1uxm s VAL 5 Ca 0.15 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1uxm s VAL 5 Cb 0.07 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1uxm s VAL 5 CO -0.04 -0.36 -0.05 0.00 -3.33 0.00 0.00 175.10 171.32 1uxm s VAL 7 N 0.28 3.83 -0.09 0.00 1.01 -1.26 -1.06 120.40 123.11 1uxm s VAL 7 Ca -0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 1uxm s VAL 7 Cb -0.07 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1uxm s VAL 7 CO -0.00 -0.08 0.85 -0.76 0.00 0.00 0.00 175.10 175.12 1uxm s LEU 8 N 1.44 4.27 0.07 3.92 1.02 0.15 -3.75 118.68 125.81 1uxm s LEU 8 Ca -0.00 1.34 -0.06 0.00 0.02 0.00 0.00 54.13 55.43 1uxm s LEU 8 Cb -0.19 -3.31 -0.01 0.00 0.02 0.00 0.00 46.19 42.70 1uxm s LEU 8 CO 0.02 -0.29 0.11 -0.54 0.02 0.00 0.00 176.35 175.67 1uxm s LYS 9 N 1.48 0.76 0.39 1.70 1.02 0.51 -2.27 119.74 123.34 1uxm s LYS 9 Ca 0.43 -1.05 -0.14 0.00 0.02 0.00 0.00 55.97 55.23 1uxm s LYS 9 Cb -0.18 0.30 0.05 0.00 -0.52 0.00 0.00 37.83 37.48 1uxm s LYS 9 CO 0.18 -0.21 0.76 0.20 -0.92 0.00 0.00 175.35 175.36 1uxm s GLY 10 N -2.88 0.53 0.00 -3.33 0.00 -1.25 -1.57 107.32 98.82 1uxm s GLY 10 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1uxm s GLY 10 CO -0.11 -0.40 0.42 1.22 0.00 0.00 0.00 173.10 174.24 1uxm n ASP 11 N -1.48 0.05 0.00 1.64 8.00 -1.26 -4.74 116.55 118.75 1uxm n ASP 11 Ca -0.08 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1uxm n ASP 11 Cb 0.60 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1uxm n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxm n GLY 12 N -0.02 5.07 0.16 0.44 0.00 -1.26 -5.06 105.19 104.51 1uxm n GLY 12 Ca 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.07 1uxm n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxm n PRO 13 N 0.00 0.54 -2.40 1.61 -0.05 -1.26 -4.91 135.00 128.53 1uxm n PRO 13 Ca 0.00 -0.32 -0.43 0.00 -0.05 0.00 0.00 63.50 62.71 1uxm n PRO 13 Cb 0.00 -1.49 -0.02 0.00 -0.05 0.00 0.00 33.50 31.93 1uxm n PRO 13 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1uxm s VAL 14 N -2.68 4.18 0.03 0.52 1.01 -1.26 -4.61 120.40 117.59 1uxm s VAL 14 Ca 0.20 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 63.56 1uxm s VAL 14 Cb 0.19 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1uxm s VAL 14 CO 0.58 -0.05 0.19 0.00 0.00 0.00 0.00 175.10 175.82 1uxm s GLN 15 N 2.78 0.66 0.05 2.72 -2.07 -1.09 -3.86 119.66 118.84 1uxm s GLN 15 Ca 0.57 -0.56 -0.28 0.00 -1.82 0.00 0.00 55.36 53.27 1uxm s GLN 15 Cb -0.25 0.27 0.09 0.00 -1.09 0.00 0.00 33.01 32.04 1uxm s GLN 15 CO 0.20 -0.18 0.96 0.20 -1.32 0.00 0.00 175.29 175.14 1uxm s GLY 16 N -1.91 -0.36 -0.07 2.60 0.00 -0.96 -0.39 107.32 106.22 1uxm s GLY 16 Ca -0.07 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1uxm s GLY 16 CO -0.02 0.20 -0.10 -0.42 0.00 0.00 0.00 173.10 172.75 1uxm s ILE 17 N -3.11 1.03 -0.13 0.90 1.01 0.03 -0.67 121.20 120.26 1uxm s ILE 17 Ca 0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1uxm s ILE 17 Cb -0.01 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1uxm s ILE 17 CO -0.04 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.50 1uxm s ILE 18 N 0.95 1.30 0.36 2.92 -1.09 -0.22 -1.73 121.20 123.68 1uxm s ILE 18 Ca -0.09 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.81 1uxm s ILE 18 Cb -0.15 -1.26 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 1uxm s ILE 18 CO 0.00 0.41 0.64 0.20 -1.23 0.00 0.00 174.94 174.97 1uxm s ASN 19 N 1.60 6.41 -0.04 3.58 -0.87 0.11 -1.13 114.94 124.60 1uxm s ASN 19 Ca 0.05 0.81 0.01 0.00 -1.57 0.00 0.00 52.86 52.16 1uxm s ASN 19 Cb -0.13 -2.19 0.02 0.00 -0.02 0.00 0.00 41.25 38.94 1uxm s ASN 19 CO -0.09 -0.32 -0.03 -0.36 -2.57 0.00 0.00 177.10 173.73 1uxm s PHE 20 N -2.29 0.57 0.01 2.20 0.40 -0.81 -1.49 117.98 116.57 1uxm s PHE 20 Ca 0.46 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1uxm s PHE 20 Cb -0.10 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 1uxm s PHE 20 CO 0.34 -0.17 -0.09 -2.00 0.70 0.00 0.00 175.22 174.00 1uxm s GLU 21 N 0.98 0.67 -0.28 0.44 2.12 0.77 -1.43 118.70 121.96 1uxm s GLU 21 Ca -0.10 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.82 1uxm s GLU 21 Cb -0.14 -0.62 0.17 0.00 0.26 0.00 0.00 34.13 33.79 1uxm s GLU 21 CO -0.01 0.16 0.45 -1.14 -0.54 0.00 0.00 175.26 174.19 1uxm s GLN 22 N -0.53 0.44 0.09 4.30 0.74 -0.26 -0.17 119.66 124.27 1uxm s GLN 22 Ca 0.01 0.36 -0.26 0.00 0.05 0.00 0.00 55.36 55.52 1uxm s GLN 22 Cb -0.05 -0.15 -0.15 0.00 1.10 0.00 0.00 33.01 33.76 1uxm s GLN 22 CO 0.00 -0.93 1.69 0.87 -0.55 0.00 0.00 175.29 176.38 1uxm h LYS 23 N 8.12 -0.32 -6.61 1.67 1.57 -1.85 -3.39 116.57 115.77 1uxm h LYS 23 Ca -0.11 0.02 -0.65 0.00 -1.87 0.00 0.00 60.65 58.04 1uxm h LYS 23 Cb 1.14 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 1uxm h LYS 23 CO 0.24 -0.21 -0.80 -1.21 -0.57 0.00 0.00 179.45 176.90 1uxm s GLU 24 N -6.14 1.69 0.00 3.15 8.01 -1.26 -5.00 118.70 119.16 1uxm s GLU 24 Ca -0.15 -1.39 -0.00 0.00 0.01 0.00 0.00 54.97 53.44 1uxm s GLU 24 Cb 0.05 -1.98 -0.00 0.00 -4.31 0.00 0.00 34.13 27.90 1uxm s GLU 24 CO 0.65 0.43 1.01 0.66 0.01 0.00 0.00 175.26 178.01 1uxm h SER 25 N 3.27 -0.02 -0.39 -0.19 4.64 -1.93 -2.86 113.55 116.07 1uxm h SER 25 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1uxm h SER 25 Cb 1.20 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1uxm h SER 25 CO 0.48 -0.01 0.26 0.78 -0.87 0.00 0.00 176.83 177.48 1uxm h ASN 26 N -0.01 0.42 -1.99 4.97 2.35 -1.98 -3.45 115.58 115.90 1uxm h ASN 26 Ca -0.00 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.52 1uxm h ASN 26 Cb 0.01 -0.10 0.13 0.00 0.05 0.00 0.00 38.32 38.40 1uxm h ASN 26 CO -0.00 0.30 -0.25 0.61 -1.65 0.00 0.00 177.43 176.44 1uxm n GLY 27 N -1.48 -2.51 3.73 2.83 0.00 -1.08 -4.98 105.19 101.69 1uxm n GLY 27 Ca 0.03 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1uxm n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uxm s PRO 28 N -3.52 1.57 -0.17 1.61 0.04 -1.26 -4.85 135.00 128.41 1uxm s PRO 28 Ca 0.36 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1uxm s PRO 28 Cb -0.06 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1uxm s PRO 28 CO 0.33 -2.06 -0.17 0.08 0.04 0.00 0.00 177.00 175.22 1uxm s VAL 29 N -2.92 1.89 -0.02 -0.36 1.01 -0.06 -4.49 120.40 115.45 1uxm s VAL 29 Ca 0.63 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 1uxm s VAL 29 Cb -0.18 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1uxm s VAL 29 CO 0.57 0.48 0.85 -0.54 0.00 0.00 0.00 175.10 176.45 1uxm s LYS 30 N 1.35 4.51 -0.18 2.72 1.02 0.76 -1.83 119.74 128.08 1uxm s LYS 30 Ca 0.04 1.18 0.01 0.00 0.02 0.00 0.00 55.97 57.22 1uxm s LYS 30 Cb -0.13 -3.45 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1uxm s LYS 30 CO -0.12 0.02 -0.13 0.54 -0.92 0.00 0.00 175.35 174.74 1uxm s VAL 31 N 0.84 1.74 0.04 3.17 0.11 0.11 -0.16 120.40 126.25 1uxm s VAL 31 Ca 0.45 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1uxm s VAL 31 Cb -0.20 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1uxm s VAL 31 CO 0.24 0.31 -0.02 -1.66 -3.33 0.00 0.00 175.10 170.65 1uxm s TRP 32 N 1.38 0.40 -3.27 1.54 -2.14 -0.56 0.17 118.94 116.47 1uxm s TRP 32 Ca 0.01 -0.84 0.00 0.00 2.66 0.00 0.00 56.10 57.93 1uxm s TRP 32 Cb -0.15 -0.30 0.00 0.00 -3.10 0.00 0.00 33.47 29.92 1uxm s TRP 32 CO -0.10 -0.32 0.00 0.41 -2.66 0.00 0.00 176.95 174.28 1uxm n GLY 33 N 0.65 -0.57 3.27 3.67 0.00 0.47 0.09 105.19 112.78 1uxm n GLY 33 Ca -0.18 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1uxm n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uxm s SER 34 N -4.00 -0.42 0.00 1.61 0.15 -0.71 -1.14 113.70 109.19 1uxm s SER 34 Ca 0.00 0.80 0.04 0.00 0.70 0.00 0.00 55.95 57.49 1uxm s SER 34 Cb 0.00 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1uxm s SER 34 CO 0.00 -0.15 -0.12 -0.63 1.20 0.00 0.00 173.24 173.54 1uxm s ILE 35 N 0.45 0.94 0.29 6.45 1.01 -0.64 -0.79 121.20 128.91 1uxm s ILE 35 Ca -0.02 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1uxm s ILE 35 Cb -0.04 -0.80 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 1uxm s ILE 35 CO -0.02 0.19 -0.00 -0.54 0.00 0.00 0.00 174.94 174.57 1uxm s LYS 36 N -0.47 1.56 -0.87 2.79 1.02 0.48 -0.05 119.74 124.19 1uxm s LYS 36 Ca 0.04 -1.82 -0.01 0.00 0.02 0.00 0.00 55.97 54.19 1uxm s LYS 36 Cb -0.05 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 1uxm s LYS 36 CO -0.00 -0.07 0.17 0.41 -0.92 0.00 0.00 175.35 174.93 1uxm n GLY 37 N -0.60 -0.01 3.92 -3.33 0.00 -0.47 -2.68 105.19 102.02 1uxm n GLY 37 Ca -0.04 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1uxm n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxm s LEU 38 N -3.44 4.25 0.40 0.99 1.43 0.27 -4.40 118.68 118.19 1uxm s LEU 38 Ca 0.08 0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 53.32 1uxm s LEU 38 Cb -0.04 -3.14 -0.08 0.00 0.03 0.00 0.00 46.19 42.96 1uxm s LEU 38 CO 0.10 -0.00 1.16 0.42 0.23 0.00 0.00 176.35 178.25 1uxm s THR 39 N -1.80 3.21 0.30 5.49 -4.23 -1.26 -3.98 115.64 113.37 1uxm s THR 39 Ca 0.38 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.59 1uxm s THR 39 Cb -0.11 -3.55 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 1uxm s THR 39 CO 0.28 0.07 1.57 -0.70 -0.54 0.00 0.00 174.62 175.31 1uxm s GLU 40 N -2.35 4.13 0.00 3.99 2.12 -1.26 -4.65 118.70 120.67 1uxm s GLU 40 Ca 0.58 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.47 1uxm s GLU 40 Cb -0.29 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1uxm s GLU 40 CO 0.37 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1uxm n GLY 41 N 2.00 0.54 3.87 -1.50 0.00 -0.05 -4.93 105.19 105.13 1uxm n GLY 41 Ca 0.07 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1uxm n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxm s LEU 42 N 0.00 4.29 -0.05 0.99 1.02 -1.26 -0.03 118.68 123.63 1uxm s LEU 42 Ca 0.00 0.79 -0.02 0.00 0.02 0.00 0.00 54.13 54.91 1uxm s LEU 42 Cb 0.00 -3.23 0.03 0.00 0.02 0.00 0.00 46.19 43.01 1uxm s LEU 42 CO 0.00 0.09 0.11 -1.00 0.02 0.00 0.00 176.35 175.57 1uxm s HIS 43 N -1.56 -0.11 0.38 0.29 3.76 -0.72 -3.14 115.29 114.20 1uxm s HIS 43 Ca 0.38 0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 55.40 1uxm s HIS 43 Cb -0.13 -0.10 -0.11 0.00 1.11 0.00 0.00 32.58 33.35 1uxm s HIS 43 CO 0.21 -0.13 1.26 0.41 -0.85 0.00 0.00 174.74 175.63 1uxm n GLY 44 N 4.04 0.51 2.72 -2.22 0.00 0.54 -2.12 105.19 108.66 1uxm n GLY 44 Ca -0.25 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1uxm n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uxm s PHE 45 N -1.16 -0.19 0.06 1.61 5.36 -0.41 -0.05 117.98 123.20 1uxm s PHE 45 Ca 0.59 0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1uxm s PHE 45 Cb -0.54 -0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 1uxm s PHE 45 CO 0.60 -0.63 0.00 -1.01 -1.46 0.00 0.00 175.22 172.72 1uxm s HIS 46 N 2.29 0.53 -0.29 10.12 3.76 -1.09 -2.19 115.29 128.42 1uxm s HIS 46 Ca 0.07 -1.05 -0.11 0.00 -0.15 0.00 0.00 55.06 53.82 1uxm s HIS 46 Cb -0.16 -0.37 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1uxm s HIS 46 CO -0.15 -0.42 0.18 0.08 -0.85 0.00 0.00 174.74 173.59 1uxm s VAL 47 N -3.93 5.15 0.31 -0.90 1.01 -0.27 -1.39 120.40 120.37 1uxm s VAL 47 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1uxm s VAL 47 Cb 0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1uxm s VAL 47 CO -0.08 0.21 0.53 -1.00 0.00 0.00 0.00 175.10 174.75 1uxm s HIS 48 N 1.73 3.49 0.41 5.22 3.76 0.22 -0.69 115.29 129.43 1uxm s HIS 48 Ca 0.07 0.45 0.11 0.00 -0.15 0.00 0.00 55.06 55.54 1uxm s HIS 48 Cb -0.16 -1.96 0.94 0.00 1.11 0.00 0.00 32.58 32.50 1uxm s HIS 48 CO 0.10 0.17 1.97 1.49 -0.85 0.00 0.00 174.74 177.61 1uxm h GLU 49 N 1.24 0.51 -6.29 1.40 4.81 -0.71 -2.83 114.58 112.70 1uxm h GLU 49 Ca -0.49 -0.03 -0.69 0.00 -0.13 0.00 0.00 59.36 58.02 1uxm h GLU 49 Cb 1.20 -0.11 -0.31 0.00 0.63 0.00 0.00 28.75 30.16 1uxm h GLU 49 CO 0.64 0.33 -0.89 -0.06 -0.73 0.00 0.00 179.01 178.31 1uxm s PHE 50 N -5.49 2.38 -0.44 0.92 0.08 -0.33 -4.80 117.98 110.30 1uxm s PHE 50 Ca -0.08 -0.59 -0.03 0.00 0.12 0.00 0.00 56.93 56.34 1uxm s PHE 50 Cb 0.20 -1.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.20 1uxm s PHE 50 CO 0.76 -0.13 2.61 0.41 -0.10 0.00 0.00 175.22 178.77 1uxm n GLY 51 N 2.71 4.37 3.28 4.36 0.00 -1.07 -3.93 105.19 114.90 1uxm n GLY 51 Ca -0.17 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 1uxm n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uxm s ASP 52 N 0.24 5.35 -0.26 1.61 -1.08 -1.26 -4.95 116.67 116.31 1uxm s ASP 52 Ca 0.54 -1.17 0.13 0.00 -0.52 0.00 0.00 52.55 51.53 1uxm s ASP 52 Cb 0.36 -1.88 0.75 0.00 -1.46 0.00 0.00 42.92 40.69 1uxm s ASP 52 CO -0.19 -0.35 1.72 -3.20 0.52 0.00 0.00 175.17 173.68 1uxm n ASN 53 N 4.82 5.06 -0.36 -0.34 2.85 -1.26 -2.69 115.26 123.34 1uxm n ASN 53 Ca -0.12 -3.08 0.10 0.00 -0.11 0.00 0.00 54.58 51.37 1uxm n ASN 53 Cb 0.45 -0.69 0.28 0.00 1.24 0.00 0.00 39.78 41.06 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1uxm h THR 54 N 3.10 0.82 -1.70 -0.44 1.35 -1.93 -3.01 112.91 111.11 1uxm h THR 54 Ca 0.10 -0.30 -0.58 0.00 -0.55 0.00 0.00 66.41 65.08 1uxm h THR 54 Cb 2.02 -0.14 -0.42 0.00 -1.73 0.00 0.00 68.15 67.88 1uxm h THR 54 CO 0.54 0.16 -0.72 0.00 -0.25 0.00 0.00 175.52 175.25 1uxm n ALA 55 N -2.34 4.91 -0.47 6.62 0.00 -1.26 -5.06 120.51 122.91 1uxm n ALA 55 Ca 0.21 -4.38 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1uxm n ALA 55 Cb 0.46 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1uxm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 56 N -0.41 1.58 0.16 0.00 0.00 -1.14 -3.45 105.19 101.93 1uxm n GLY 56 Ca 0.36 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1uxm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxm h THR 58 N 0.00 1.15 0.00 0.00 2.02 -1.89 -2.27 112.91 111.91 1uxm h THR 58 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1uxm h THR 58 Cb 0.95 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1uxm h THR 58 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1uxm n SER 59 N -4.68 0.14 0.21 4.18 3.41 -1.26 -1.69 113.62 113.93 1uxm n SER 59 Ca 0.04 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 1uxm n SER 59 Cb 0.02 -0.57 0.74 0.00 -0.26 0.00 0.00 64.21 64.14 1uxm n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxm h ALA 60 N 2.34 1.01 0.00 7.33 0.00 -1.18 -3.41 119.26 125.34 1uxm h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uxm h ALA 60 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uxm h ALA 60 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1uxm n GLY 61 N -1.24 -1.61 3.99 0.00 0.00 -0.68 -1.18 105.19 104.46 1uxm n GLY 61 Ca -0.02 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 1uxm n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uxm s PRO 62 N 0.00 2.09 0.18 1.61 0.04 -1.26 -4.65 135.00 133.01 1uxm s PRO 62 Ca 0.00 -1.06 -0.33 0.00 0.04 0.00 0.00 61.00 59.65 1uxm s PRO 62 Cb 0.00 -2.44 -0.15 0.00 0.04 0.00 0.00 34.50 31.96 1uxm s PRO 62 CO 0.00 -1.08 1.37 0.72 0.04 0.00 0.00 177.00 178.05 1uxm n HIS 63 N -2.56 1.86 -1.68 0.56 8.25 -1.26 -0.47 115.22 119.92 1uxm n HIS 63 Ca 0.12 0.49 -0.51 0.00 -0.26 0.00 0.00 57.72 57.57 1uxm n HIS 63 Cb 0.60 -2.41 -0.05 0.00 1.12 0.00 0.00 29.99 29.25 1uxm n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uxm n PHE 64 N 2.24 2.17 -2.89 4.41 7.35 0.13 -4.47 117.46 126.40 1uxm n PHE 64 Ca 0.15 0.24 -0.13 0.00 -0.76 0.00 0.00 57.45 56.94 1uxm n PHE 64 Cb 0.27 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.54 1uxm n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1uxm n ASN 65 N 5.37 1.18 0.23 -2.13 5.15 -1.26 -1.84 115.26 121.96 1uxm n ASN 65 Ca 0.22 -2.84 0.09 0.00 -0.60 0.00 0.00 54.58 51.45 1uxm n ASN 65 Cb 0.24 -0.57 0.63 0.00 -0.53 0.00 0.00 39.78 39.56 1uxm n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1uxm h PRO 66 N 3.00 0.03 -0.05 1.20 0.13 -1.94 -1.20 132.00 133.17 1uxm h PRO 66 Ca -0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1uxm h PRO 66 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1uxm h PRO 66 CO 0.50 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 1uxm n LEU 67 N -4.53 1.27 -3.05 1.56 4.77 -1.26 -4.98 117.00 110.77 1uxm n LEU 67 Ca -0.02 -0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 55.36 1uxm n LEU 67 Cb 0.12 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1uxm n LEU 67 CO 0.34 0.23 0.09 -1.20 -1.33 0.00 0.00 177.39 175.52 1uxm n SER 68 N 0.00 -2.08 -4.74 -1.43 7.64 -0.45 -5.05 113.62 107.51 1uxm n SER 68 Ca 0.19 -0.52 -0.26 0.00 1.01 0.00 0.00 58.87 59.29 1uxm n SER 68 Cb 0.30 -4.40 -0.07 0.00 -1.01 0.00 0.00 64.21 59.02 1uxm n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxm s ARG 69 N -5.16 2.19 0.73 1.43 0.52 -1.26 -5.14 118.95 112.27 1uxm s ARG 69 Ca 0.01 -1.92 -0.10 0.00 -0.52 0.00 0.00 55.73 53.19 1uxm s ARG 69 Cb -0.00 -1.92 0.04 0.00 0.52 0.00 0.00 34.95 33.59 1uxm s ARG 69 CO 0.62 -0.15 1.10 -1.59 0.02 0.00 0.00 175.30 175.29 1uxm s LYS 70 N -3.90 2.44 0.47 3.54 -2.85 -1.26 -4.76 119.74 113.42 1uxm s LYS 70 Ca 0.38 0.19 -0.22 0.00 -1.00 0.00 0.00 55.97 55.32 1uxm s LYS 70 Cb 0.04 -2.04 -0.07 0.00 -2.06 0.00 0.00 37.83 33.70 1uxm s LYS 70 CO 0.21 -1.24 1.12 -1.58 0.10 0.00 0.00 175.35 173.96 1uxm s HIS 71 N -3.39 2.92 0.24 1.78 5.65 0.39 -3.27 115.29 119.61 1uxm s HIS 71 Ca 0.59 1.56 -0.04 0.00 0.25 0.00 0.00 55.06 57.43 1uxm s HIS 71 Cb -0.11 -3.27 0.01 0.00 -1.18 0.00 0.00 32.58 28.03 1uxm s HIS 71 CO 0.49 -1.27 0.38 0.41 -0.65 0.00 0.00 174.74 174.10 1uxm n GLY 72 N 0.28 2.14 3.93 1.59 0.00 -1.21 -4.39 105.19 107.52 1uxm n GLY 72 Ca 0.08 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 1uxm n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uxm s GLY 73 N -2.41 1.49 0.44 -0.02 0.00 -1.24 -4.69 107.32 100.88 1uxm s GLY 73 Ca 0.17 -0.76 0.24 0.00 0.00 0.00 0.00 44.72 44.37 1uxm s GLY 73 CO 0.12 -0.67 1.77 -2.55 0.00 0.00 0.00 173.10 171.78 1uxm h PRO 74 N 0.88 0.26 -0.01 2.90 0.11 -1.87 0.34 132.00 134.60 1uxm h PRO 74 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uxm h PRO 74 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uxm h PRO 74 CO 0.63 0.17 -0.21 1.63 -0.21 0.00 0.00 178.00 180.00 1uxm n LYS 75 N -4.51 1.10 -2.82 1.05 4.76 -1.26 -4.90 118.16 111.57 1uxm n LYS 75 Ca 0.26 -0.69 -0.36 0.00 -2.87 0.00 0.00 58.31 54.65 1uxm n LYS 75 Cb 1.00 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.64 1uxm n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1uxm s ASP 76 N -2.37 7.24 0.12 4.39 1.01 0.12 -4.95 116.67 122.21 1uxm s ASP 76 Ca 0.27 1.77 -0.16 0.00 0.71 0.00 0.00 52.55 55.13 1uxm s ASP 76 Cb 0.20 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1uxm s ASP 76 CO 0.48 -0.11 1.61 -0.08 0.21 0.00 0.00 175.17 177.27 1uxm h GLU 77 N 2.96 0.57 -5.53 8.23 4.57 -1.90 -3.38 114.58 120.09 1uxm h GLU 77 Ca -0.47 -0.14 -0.63 0.00 -1.18 0.00 0.00 59.36 56.94 1uxm h GLU 77 Cb 1.19 -0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.57 1uxm h GLU 77 CO 0.64 0.63 0.48 -2.00 -1.18 0.00 0.00 179.01 177.58 1uxm s GLU 78 N -5.26 3.20 0.26 1.92 2.56 -1.26 -4.96 118.70 115.16 1uxm s GLU 78 Ca -0.13 -0.62 -0.18 0.00 0.00 0.00 0.00 54.97 54.04 1uxm s GLU 78 Cb 0.09 -4.14 0.01 0.00 2.00 0.00 0.00 34.13 32.09 1uxm s GLU 78 CO 0.76 -1.60 0.62 -0.98 -0.56 0.00 0.00 175.26 173.49 1uxm s ARG 79 N 3.81 1.68 0.22 4.30 1.04 -1.20 -3.36 118.95 125.44 1uxm s ARG 79 Ca 0.24 -1.09 -0.08 0.00 -1.04 0.00 0.00 55.73 53.76 1uxm s ARG 79 Cb -0.16 0.55 -0.07 0.00 -2.04 0.00 0.00 34.95 33.24 1uxm s ARG 79 CO 0.14 -0.74 0.52 -1.01 -0.04 0.00 0.00 175.30 174.17 1uxm s HIS 80 N -3.96 3.44 0.38 5.89 3.76 -1.25 -4.59 115.29 118.96 1uxm s HIS 80 Ca 0.15 0.80 0.05 0.00 -0.15 0.00 0.00 55.06 55.92 1uxm s HIS 80 Cb -0.04 -2.20 0.75 0.00 1.11 0.00 0.00 32.58 32.20 1uxm s HIS 80 CO 0.07 0.29 2.02 0.28 -0.85 0.00 0.00 174.74 176.55 1uxm h VAL 81 N 1.95 1.10 0.00 -0.90 2.07 -1.87 0.19 116.25 118.80 1uxm h VAL 81 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1uxm h VAL 81 Cb 1.17 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1uxm h VAL 81 CO 0.69 0.13 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1uxm n GLY 82 N -1.46 -0.80 3.55 2.17 0.00 -0.77 -4.52 105.19 103.37 1uxm n GLY 82 Ca 0.06 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1uxm n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxm s ASP 83 N -1.94 5.63 0.00 1.61 1.01 0.67 -1.12 116.67 122.53 1uxm s ASP 83 Ca 0.36 -0.35 0.19 0.00 0.71 0.00 0.00 52.55 53.46 1uxm s ASP 83 Cb 0.16 -2.55 0.28 0.00 1.01 0.00 0.00 42.92 41.83 1uxm s ASP 83 CO 0.28 -2.21 1.23 0.18 0.21 0.00 0.00 175.17 174.85 1uxm n LEU 84 N 11.68 2.95 0.00 1.23 4.77 -0.93 -3.86 117.00 132.84 1uxm n LEU 84 Ca 0.23 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1uxm n LEU 84 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1uxm n LEU 84 CO 0.68 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1uxm n GLY 85 N 1.15 0.28 3.79 -0.72 0.00 -1.11 -4.80 105.19 103.79 1uxm n GLY 85 Ca 0.14 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 1uxm n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uxm s ASN 86 N -4.00 4.70 0.09 1.61 0.01 -1.26 -1.29 114.94 114.80 1uxm s ASN 86 Ca 0.00 -0.91 0.03 0.00 -0.71 0.00 0.00 52.86 51.26 1uxm s ASN 86 Cb 0.00 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 41.08 1uxm s ASN 86 CO 0.00 -0.56 -0.08 0.68 -1.51 0.00 0.00 177.10 175.63 1uxm s VAL 87 N -2.53 0.76 -0.10 1.60 -7.23 -0.90 -4.89 120.40 107.11 1uxm s VAL 87 Ca 0.44 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1uxm s VAL 87 Cb 0.00 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1uxm s VAL 87 CO 0.25 -0.68 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.26 1uxm s THR 88 N -2.84 2.44 -0.20 5.32 2.01 -1.26 -1.75 115.64 119.35 1uxm s THR 88 Ca 0.06 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 1uxm s THR 88 Cb -0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1uxm s THR 88 CO -0.02 0.55 0.08 0.00 -0.69 0.00 0.00 174.62 174.54 1uxm s ALA 89 N 0.23 3.39 1.17 7.40 0.00 0.95 -3.94 121.76 130.96 1uxm s ALA 89 Ca -0.13 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 1uxm s ALA 89 Cb -0.16 -2.00 0.28 0.00 0.00 0.00 0.00 23.12 21.23 1uxm s ALA 89 CO 0.07 0.01 1.15 0.16 0.00 0.00 0.00 175.76 177.15 1uxm s ASP 90 N 0.69 1.18 0.38 0.00 1.47 -0.04 -0.87 116.67 119.48 1uxm s ASP 90 Ca 0.04 0.52 0.26 0.00 1.18 0.00 0.00 52.55 54.55 1uxm s ASP 90 Cb -0.13 -0.69 1.39 0.00 -0.34 0.00 0.00 42.92 43.15 1uxm s ASP 90 CO 0.02 -3.95 1.78 0.07 0.68 0.00 0.00 175.17 173.77 1uxm h LYS 91 N -2.47 0.00 -0.12 2.11 5.09 -1.96 0.36 116.57 119.58 1uxm h LYS 91 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 1uxm h LYS 91 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1uxm h LYS 91 CO 0.33 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.44 1uxm n ASP 92 N -2.40 1.56 -0.31 7.07 8.00 -1.26 -4.89 116.55 124.32 1uxm n ASP 92 Ca -0.02 -1.64 -0.03 0.00 0.71 0.00 0.00 54.79 53.81 1uxm n ASP 92 Cb 0.04 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 1uxm n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxm n GLY 93 N 1.13 0.52 3.50 0.44 0.00 0.13 -4.60 105.19 106.31 1uxm n GLY 93 Ca 0.17 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1uxm n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uxm s VAL 94 N -2.14 3.96 -0.24 1.61 1.01 -1.24 -0.57 120.40 122.78 1uxm s VAL 94 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1uxm s VAL 94 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1uxm s VAL 94 CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 1uxm s ALA 95 N 0.40 2.74 -0.59 5.51 0.00 0.92 -0.86 121.76 129.89 1uxm s ALA 95 Ca -0.03 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1uxm s ALA 95 Cb -0.14 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 21.36 1uxm s ALA 95 CO 0.03 -0.68 0.77 -0.51 0.00 0.00 0.00 175.76 175.37 1uxm s ASP 96 N 1.38 6.20 0.11 0.00 -0.00 -1.25 -1.62 116.67 121.49 1uxm s ASP 96 Ca 0.02 -1.13 -0.23 0.00 -0.00 0.00 0.00 52.55 51.22 1uxm s ASP 96 Cb -0.16 -2.34 -0.07 0.00 -0.00 0.00 0.00 42.92 40.35 1uxm s ASP 96 CO -0.04 -1.16 0.70 -0.69 -0.00 0.00 0.00 175.17 173.98 1uxm s VAL 97 N 3.12 4.56 -0.30 -1.27 1.01 -0.29 -4.88 120.40 122.34 1uxm s VAL 97 Ca 0.16 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.63 1uxm s VAL 97 Cb -0.20 -4.05 0.19 0.00 0.00 0.00 0.00 36.38 32.32 1uxm s VAL 97 CO 0.09 0.51 0.74 -0.55 0.00 0.00 0.00 175.10 175.89 1uxm s SER 98 N -0.94 -1.15 0.06 3.32 0.15 -1.24 -0.39 113.70 113.50 1uxm s SER 98 Ca 0.34 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1uxm s SER 98 Cb -0.21 1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 65.94 1uxm s SER 98 CO 0.23 -0.21 -0.07 -0.63 1.20 0.00 0.00 173.24 173.76 1uxm s ILE 99 N 2.88 0.58 -0.10 6.45 1.01 0.13 -4.99 121.20 127.15 1uxm s ILE 99 Ca 0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 1uxm s ILE 99 Cb -0.11 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1uxm s ILE 99 CO -0.20 -0.57 -0.07 -0.70 0.00 0.00 0.00 174.94 173.40 1uxm s GLU 100 N -2.40 1.42 0.00 2.79 2.12 -1.26 0.08 118.70 121.46 1uxm s GLU 100 Ca -0.02 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1uxm s GLU 100 Cb -0.04 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 1uxm s GLU 100 CO -0.02 -0.25 -0.10 0.34 -0.54 0.00 0.00 175.26 174.69 1uxm s ASP 101 N 1.67 1.15 0.00 -1.70 2.15 -0.76 -4.92 116.67 114.26 1uxm s ASP 101 Ca 0.04 -0.23 0.15 0.00 0.43 0.00 0.00 52.55 52.93 1uxm s ASP 101 Cb -0.13 -0.11 0.29 0.00 -0.30 0.00 0.00 42.92 42.67 1uxm s ASP 101 CO -0.07 0.08 1.19 -1.20 -0.17 0.00 0.00 175.17 175.00 1uxm n SER 102 N 2.64 2.82 -0.05 -0.34 7.64 -1.26 -0.89 113.62 124.18 1uxm n SER 102 Ca -0.15 -1.84 -0.06 0.00 1.01 0.00 0.00 58.87 57.83 1uxm n SER 102 Cb 0.56 -0.18 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 1uxm n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uxm n VAL 103 N 0.85 1.25 -2.23 0.44 0.31 -1.26 -4.86 118.33 112.83 1uxm n VAL 103 Ca 0.13 -0.78 -0.29 0.00 -0.01 0.00 0.00 64.34 63.39 1uxm n VAL 103 Cb 0.44 -0.57 0.02 0.00 -0.91 0.00 0.00 33.84 32.82 1uxm n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uxm s ILE 104 N -2.69 4.15 0.05 2.52 -4.36 -1.26 -4.86 121.20 114.75 1uxm s ILE 104 Ca -0.08 0.35 -0.09 0.00 -0.26 0.00 0.00 60.65 60.57 1uxm s ILE 104 Cb 0.08 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.14 1uxm s ILE 104 CO 0.84 -0.74 0.19 -0.55 0.24 0.00 0.00 174.94 174.91 1uxm s SER 105 N -4.24 0.06 0.00 4.36 0.15 -0.87 -4.75 113.70 108.40 1uxm s SER 105 Ca 0.53 -0.43 0.21 0.00 0.70 0.00 0.00 55.95 56.96 1uxm s SER 105 Cb -0.11 0.29 0.31 0.00 -1.71 0.00 0.00 66.02 64.81 1uxm s SER 105 CO 0.48 -0.59 1.29 0.18 1.20 0.00 0.00 173.24 175.81 1uxm n LEU 106 N 0.54 3.14 -4.06 3.45 4.77 -1.26 -2.40 117.00 121.18 1uxm n LEU 106 Ca -0.18 -1.34 -0.12 0.00 -0.03 0.00 0.00 56.01 54.34 1uxm n LEU 106 Cb 0.60 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1uxm n LEU 106 CO 0.22 0.64 0.10 -0.94 -1.33 0.00 0.00 177.39 176.08 1uxm s SER 107 N -1.53 0.33 0.69 -1.43 1.04 -1.26 -4.23 113.70 107.31 1uxm s SER 107 Ca 0.32 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1uxm s SER 107 Cb 0.20 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1uxm s SER 107 CO 0.28 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1uxm n GLY 108 N -0.43 -0.99 0.28 7.32 0.00 -1.26 -4.08 105.19 106.03 1uxm n GLY 108 Ca -0.00 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.08 1uxm n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uxm h ASP 109 N 0.00 0.00 -0.75 1.61 3.58 -2.00 -2.75 116.42 116.11 1uxm h ASP 109 Ca 0.00 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.02 1uxm h ASP 109 Cb 0.00 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 40.82 1uxm h ASP 109 CO 0.00 0.07 0.55 1.41 -2.88 0.00 0.00 179.24 178.39 1uxm n HIS 110 N -3.33 2.35 -2.42 0.28 8.25 -1.26 -4.98 115.22 114.11 1uxm n HIS 110 Ca -0.01 -1.85 -0.42 0.00 -0.26 0.00 0.00 57.72 55.19 1uxm n HIS 110 Cb 0.25 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.40 1uxm n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uxm n ILE 112 N 3.50 0.39 -1.68 0.00 -5.35 -1.01 -4.89 119.36 110.33 1uxm n ILE 112 Ca 0.07 -0.70 -0.45 0.00 -0.27 0.00 0.00 62.75 61.41 1uxm n ILE 112 Cb 0.46 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 1uxm n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uxm n ILE 113 N 0.95 0.18 -1.00 7.28 2.08 -1.26 -1.12 119.36 126.47 1uxm n ILE 113 Ca 0.13 -0.03 -0.00 0.00 0.56 0.00 0.00 62.75 63.40 1uxm n ILE 113 Cb 0.45 -1.77 -0.00 0.00 -0.75 0.00 0.00 39.64 37.57 1uxm n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uxm n GLY 114 N 3.83 0.47 0.00 7.39 0.00 0.41 -5.01 105.19 112.28 1uxm n GLY 114 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1uxm n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxm n ARG 115 N -2.73 2.87 -4.47 1.61 1.74 -0.27 -2.61 116.66 112.79 1uxm n ARG 115 Ca -0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1uxm n ARG 115 Cb 0.03 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.31 1uxm n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxm s THR 116 N 1.80 1.05 -0.08 0.55 2.01 -1.07 -0.29 115.64 119.61 1uxm s THR 116 Ca 0.00 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 1uxm s THR 116 Cb 0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1uxm s THR 116 CO 0.00 0.34 0.46 -0.22 -0.69 0.00 0.00 174.62 174.51 1uxm s LEU 117 N 0.79 4.34 0.03 4.42 2.96 -0.49 0.72 118.68 131.46 1uxm s LEU 117 Ca -0.12 0.87 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 1uxm s LEU 117 Cb -0.15 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 1uxm s LEU 117 CO 0.02 0.10 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.23 1uxm s VAL 118 N 0.11 1.83 -0.10 1.68 1.01 -0.49 -1.57 120.40 122.87 1uxm s VAL 118 Ca 0.25 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1uxm s VAL 118 Cb -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1uxm s VAL 118 CO 0.11 0.32 -0.21 0.54 0.00 0.00 0.00 175.10 175.86 1uxm s VAL 119 N -0.74 1.87 0.41 2.92 0.11 -0.04 -2.68 120.40 122.24 1uxm s VAL 119 Ca 0.09 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1uxm s VAL 119 Cb -0.09 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.12 1uxm s VAL 119 CO 0.01 0.52 0.60 -1.00 -3.33 0.00 0.00 175.10 171.90 1uxm s HIS 120 N 0.52 3.20 0.14 1.54 3.76 0.92 -0.81 115.29 124.56 1uxm s HIS 120 Ca -0.15 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.71 1uxm s HIS 120 Cb -0.17 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1uxm s HIS 120 CO 0.06 -0.22 1.60 1.49 -0.85 0.00 0.00 174.74 176.82 1uxm h GLU 121 N 0.58 0.78 -5.18 1.40 4.81 -0.84 -3.40 114.58 112.74 1uxm h GLU 121 Ca -0.46 -0.23 -0.68 0.00 -0.13 0.00 0.00 59.36 57.85 1uxm h GLU 121 Cb 1.25 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1uxm h GLU 121 CO 0.56 0.83 -0.48 0.15 -0.73 0.00 0.00 179.01 179.33 1uxm s LYS 122 N -5.07 2.24 0.55 1.92 1.02 -0.03 -4.90 119.74 115.46 1uxm s LYS 122 Ca -0.13 -2.43 -0.17 0.00 0.02 0.00 0.00 55.97 53.26 1uxm s LYS 122 Cb 0.11 -1.56 -0.06 0.00 -0.52 0.00 0.00 37.83 35.81 1uxm s LYS 122 CO 0.80 -0.44 1.05 0.00 -0.92 0.00 0.00 175.35 175.84 1uxm s ALA 123 N -2.90 2.80 -0.19 5.17 0.00 -1.19 -0.34 121.76 125.12 1uxm s ALA 123 Ca 0.03 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 1uxm s ALA 123 Cb -0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1uxm s ALA 123 CO 0.02 -0.61 0.82 0.34 0.00 0.00 0.00 175.76 176.33 1uxm s ASP 124 N -2.49 6.91 0.00 0.00 -1.08 -1.26 -3.73 116.67 115.02 1uxm s ASP 124 Ca 0.65 1.12 0.15 0.00 -0.52 0.00 0.00 52.55 53.96 1uxm s ASP 124 Cb -0.16 -2.44 0.84 0.00 -1.46 0.00 0.00 42.92 39.70 1uxm s ASP 124 CO 0.30 -0.42 1.55 -0.90 0.52 0.00 0.00 175.17 176.23 1uxm n ASP 125 N 5.40 0.31 -2.14 -0.34 5.68 0.11 -4.87 116.55 120.70 1uxm n ASP 125 Ca 0.04 -1.58 -0.20 0.00 -0.50 0.00 0.00 54.79 52.56 1uxm n ASP 125 Cb 0.48 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 1uxm n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxm n LEU 126 N -0.54 -1.83 -0.02 -2.12 4.77 -1.26 -2.25 117.00 113.75 1uxm n LEU 126 Ca 0.12 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1uxm n LEU 126 Cb 0.10 -2.79 -0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1uxm n LEU 126 CO 0.09 -0.32 -0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1uxm n GLY 127 N -0.95 0.47 0.85 -0.72 0.00 -1.25 -3.68 105.19 99.91 1uxm n GLY 127 Ca -0.23 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1uxm n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uxm n LYS 128 N -2.85 2.99 0.11 1.61 4.76 -0.95 -4.62 118.16 119.21 1uxm n LYS 128 Ca -0.00 -2.41 0.12 0.00 -2.87 0.00 0.00 58.31 53.15 1uxm n LYS 128 Cb 0.03 -1.53 0.46 0.00 -1.84 0.00 0.00 35.03 32.15 1uxm n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uxm n GLY 129 N 0.30 -1.41 2.28 0.72 0.00 -1.26 -4.94 105.19 100.88 1uxm n GLY 129 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1uxm n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxm n GLY 130 N 0.47 0.60 3.56 -0.02 0.00 -1.26 -4.98 105.19 103.56 1uxm n GLY 130 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1uxm n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxm s ASN 131 N -2.23 3.52 0.31 1.61 2.20 -1.26 -5.04 114.94 114.05 1uxm s ASN 131 Ca 0.00 -1.32 0.02 0.00 -0.94 0.00 0.00 52.86 50.62 1uxm s ASN 131 Cb 0.00 -0.32 0.49 0.00 -2.00 0.00 0.00 41.25 39.42 1uxm s ASN 131 CO 0.00 -0.41 1.82 -0.08 -2.94 0.00 0.00 177.10 175.49 1uxm h GLU 132 N 1.92 0.60 -0.91 3.55 4.81 -2.00 -2.21 114.58 120.35 1uxm h GLU 132 Ca -0.43 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1uxm h GLU 132 Cb 1.24 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1uxm h GLU 132 CO 0.76 0.65 0.59 1.49 -0.73 0.00 0.00 179.01 181.77 1uxm h GLU 133 N 0.57 1.10 -0.76 1.92 4.57 -2.00 -1.16 114.58 118.81 1uxm h GLU 133 Ca 0.12 -0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1uxm h GLU 133 Cb 0.41 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 1uxm h GLU 133 CO 0.02 0.72 0.50 1.03 -1.18 0.00 0.00 179.01 180.10 1uxm h SER 134 N 1.13 0.57 0.40 1.04 0.87 -1.75 0.48 113.55 116.30 1uxm h SER 134 Ca 0.36 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1uxm h SER 134 Cb 0.03 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1uxm h SER 134 CO -0.11 0.33 -0.04 0.35 -0.53 0.00 0.00 176.83 176.84 1uxm n THR 135 N -4.50 0.00 -0.07 2.23 -2.24 -0.45 -1.85 114.28 107.40 1uxm n THR 135 Ca 0.13 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1uxm n THR 135 Cb 0.37 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1uxm n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uxm n LYS 136 N -1.11 0.29 0.00 -0.78 5.02 -0.03 -0.46 118.16 121.09 1uxm n LYS 136 Ca 0.16 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1uxm n LYS 136 Cb 0.23 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1uxm n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1uxm n THR 137 N -3.32 0.00 -1.62 -0.18 -2.24 -0.11 -4.73 114.28 102.09 1uxm n THR 137 Ca -0.25 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1uxm n THR 137 Cb 0.70 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 1uxm n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxm n GLY 138 N 0.27 0.78 2.41 3.38 0.00 -0.77 -3.02 105.19 108.25 1uxm n GLY 138 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1uxm n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uxm n ASN 139 N 0.13 -4.56 0.07 1.61 3.02 -1.26 0.06 115.26 114.34 1uxm n ASN 139 Ca -0.12 0.14 0.09 0.00 -0.03 0.00 0.00 54.58 54.66 1uxm n ASN 139 Cb 0.44 -3.85 0.40 0.00 -0.61 0.00 0.00 39.78 36.15 1uxm n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uxm n ALA 140 N -2.01 1.65 -0.06 5.41 0.00 -1.17 -4.72 120.51 119.62 1uxm n ALA 140 Ca -0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1uxm n ALA 140 Cb 0.63 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1uxm n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 141 N -0.03 -1.54 3.24 0.00 0.00 -1.26 -0.85 105.19 104.75 1uxm n GLY 141 Ca 0.03 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1uxm n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uxm n SER 142 N 0.08 -3.67 -4.36 1.61 7.64 -1.26 -4.45 113.62 109.21 1uxm n SER 142 Ca 0.00 0.59 -0.45 0.00 1.01 0.00 0.00 58.87 60.02 1uxm n SER 142 Cb 0.00 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 1uxm n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxm s ARG 143 N -1.36 3.03 0.18 1.43 0.52 -1.26 -0.75 118.95 120.74 1uxm s ARG 143 Ca 0.56 -1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 1uxm s ARG 143 Cb -0.43 -4.26 0.07 0.00 0.52 0.00 0.00 34.95 30.84 1uxm s ARG 143 CO 0.67 -1.47 1.45 -0.07 0.02 0.00 0.00 175.30 175.90 1uxm h LEU 144 N 9.68 0.51 -7.00 2.53 3.38 -1.26 -3.46 115.31 119.68 1uxm h LEU 144 Ca -0.29 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 1uxm h LEU 144 Cb 1.09 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1uxm h LEU 144 CO 1.08 1.05 0.22 0.00 0.09 0.00 0.00 178.44 180.87 1uxm s ALA 145 N -3.69 -1.63 0.23 1.53 0.00 -1.13 -4.27 121.76 112.81 1uxm s ALA 145 Ca -0.06 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1uxm s ALA 145 Cb 0.11 0.74 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1uxm s ALA 145 CO 0.84 -0.71 0.88 0.00 0.00 0.00 0.00 175.76 176.77 1uxm s GLY 147 N -3.03 -0.50 0.17 0.00 0.00 -0.61 -0.36 107.32 102.99 1uxm s GLY 147 Ca 0.14 1.01 -0.30 0.00 0.00 0.00 0.00 44.72 45.57 1uxm s GLY 147 CO 0.06 0.42 1.01 0.14 0.00 0.00 0.00 173.10 174.72 1uxm s VAL 148 N -2.90 4.17 -0.13 1.40 1.01 -1.26 -1.39 120.40 121.29 1uxm s VAL 148 Ca 0.02 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.65 1uxm s VAL 148 Cb -0.01 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1uxm s VAL 148 CO -0.07 0.35 0.81 -0.63 0.00 0.00 0.00 175.10 175.56 1uxm s ILE 149 N -0.38 4.92 0.16 2.22 1.01 0.61 -4.45 121.20 125.29 1uxm s ILE 149 Ca 0.46 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.76 1uxm s ILE 149 Cb -0.26 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1uxm s ILE 149 CO 0.32 0.09 -0.04 -0.83 0.00 0.00 0.00 174.94 174.48 1uxm s GLY 150 N 1.07 1.14 0.19 6.18 0.00 -0.44 -0.44 107.32 115.02 1uxm s GLY 150 Ca 0.39 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 1uxm s GLY 150 CO 0.15 -1.55 1.21 -0.42 0.00 0.00 0.00 173.10 172.48 1uxm s ILE 151 N -3.51 3.50 0.30 0.90 1.01 -1.26 -0.58 121.20 121.55 1uxm s ILE 151 Ca 0.20 1.27 0.08 0.00 0.00 0.00 0.00 60.65 62.20 1uxm s ILE 151 Cb 0.05 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1uxm s ILE 151 CO 0.02 0.21 0.11 0.00 0.00 0.00 0.00 174.94 175.28 1uxm s ALA 152 N -0.09 3.43 -2.00 9.38 0.00 -0.58 -4.77 121.76 127.13 1uxm s ALA 152 Ca 0.53 -1.70 0.18 0.00 0.00 0.00 0.00 51.96 50.97 1uxm s ALA 152 Cb -0.33 -0.86 1.08 0.00 0.00 0.00 0.00 23.12 23.01 1uxm s ALA 152 CO 0.37 0.14 1.48 0.94 0.00 0.00 0.00 175.76 178.69