#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxm h THR 2 N 0.00 1.18 -3.56 0.00 2.02 -1.92 -3.41 112.91 107.22 1uxm h THR 2 Ca 0.00 -2.31 -0.62 0.00 0.77 0.00 0.00 66.41 64.26 1uxm h THR 2 Cb 0.00 2.70 -0.33 0.00 -1.74 0.00 0.00 68.15 68.78 1uxm h THR 2 CO 0.00 0.54 -0.86 -0.54 0.37 0.00 0.00 175.52 175.03 1uxm s LYS 3 N -2.37 2.39 0.07 6.66 1.02 -1.26 -0.89 119.74 125.35 1uxm s LYS 3 Ca -0.23 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1uxm s LYS 3 Cb 0.03 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1uxm s LYS 3 CO 0.68 0.18 -0.06 0.08 -0.92 0.00 0.00 175.35 175.31 1uxm s VAL 4 N 0.30 0.56 0.04 3.17 1.01 -0.08 -1.24 120.40 124.15 1uxm s VAL 4 Ca -0.13 -1.57 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1uxm s VAL 4 Cb -0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1uxm s VAL 4 CO 0.06 -0.70 0.11 0.54 0.00 0.00 0.00 175.10 175.10 1uxm s VAL 5 N -2.77 0.13 -0.06 2.92 0.11 0.78 -0.82 120.40 120.69 1uxm s VAL 5 Ca 0.02 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.01 1uxm s VAL 5 Cb -0.00 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1uxm s VAL 5 CO -0.03 -0.57 0.14 0.00 -3.33 0.00 0.00 175.10 171.30 1uxm s VAL 7 N 1.35 4.89 -0.12 0.00 1.01 -1.26 -1.58 120.40 124.69 1uxm s VAL 7 Ca -0.07 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1uxm s VAL 7 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1uxm s VAL 7 CO -0.06 0.31 0.63 -0.76 0.00 0.00 0.00 175.10 175.23 1uxm s LEU 8 N 1.52 4.26 0.04 3.92 1.02 -0.32 -3.77 118.68 125.34 1uxm s LEU 8 Ca 0.06 1.00 -0.02 0.00 0.02 0.00 0.00 54.13 55.19 1uxm s LEU 8 Cb -0.15 -2.94 -0.03 0.00 0.02 0.00 0.00 46.19 43.09 1uxm s LEU 8 CO 0.07 -0.14 0.01 -0.54 0.02 0.00 0.00 176.35 175.77 1uxm s LYS 9 N 1.10 0.56 0.00 1.70 1.02 0.08 -2.37 119.74 121.83 1uxm s LYS 9 Ca 0.32 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1uxm s LYS 9 Cb -0.16 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1uxm s LYS 9 CO 0.14 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1uxm n GLY 10 N 0.53 3.40 0.05 -3.33 0.00 -1.25 -0.93 105.19 103.66 1uxm n GLY 10 Ca -0.17 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1uxm n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uxm n ASP 11 N 0.00 0.66 0.00 1.61 8.00 -1.26 -4.94 116.55 120.62 1uxm n ASP 11 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uxm n ASP 11 Cb 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.35 2.54 0.74 0.44 0.00 -1.26 -4.99 105.19 104.01 1uxm n GLY 12 Ca 0.03 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 1.97 -2.66 1.61 -0.04 -1.26 -4.89 135.00 129.72 1uxm n PRO 13 Ca 0.00 -1.46 -0.43 0.00 -0.04 0.00 0.00 63.50 61.57 1uxm n PRO 13 Cb 0.00 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.03 1uxm n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxm s VAL 14 N -1.65 4.43 0.05 0.52 1.01 -1.26 -3.86 120.40 119.65 1uxm s VAL 14 Ca 0.33 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1uxm s VAL 14 Cb 0.18 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1uxm s VAL 14 CO 0.26 -0.65 0.32 0.00 0.00 0.00 0.00 175.10 175.03 1uxm s GLN 15 N 3.85 0.84 -0.00 2.72 -2.07 -0.69 -3.84 119.66 120.47 1uxm s GLN 15 Ca 0.45 -0.51 -0.07 0.00 -1.82 0.00 0.00 55.36 53.40 1uxm s GLN 15 Cb -0.11 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 1uxm s GLN 15 CO 0.21 -0.27 0.33 0.41 -1.32 0.00 0.00 175.29 174.64 1uxm n GLY 16 N 0.51 0.58 2.84 2.60 0.00 -1.00 -0.02 105.19 110.70 1uxm n GLY 16 Ca -0.18 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1uxm n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uxm s ILE 17 N -2.14 -0.08 -0.06 -0.61 1.01 -0.45 -1.18 121.20 117.69 1uxm s ILE 17 Ca 0.08 0.23 0.04 0.00 0.00 0.00 0.00 60.65 61.00 1uxm s ILE 17 Cb -0.00 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.29 1uxm s ILE 17 CO -0.00 0.09 -0.18 -0.63 0.00 0.00 0.00 174.94 174.23 1uxm s ILE 18 N 1.31 1.53 0.09 2.92 -1.09 -0.62 -1.53 121.20 123.82 1uxm s ILE 18 Ca -0.07 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 1uxm s ILE 18 Cb -0.12 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 1uxm s ILE 18 CO -0.05 0.44 0.11 0.20 -1.23 0.00 0.00 174.94 174.42 1uxm s ASN 19 N 0.22 5.69 -0.02 3.58 -0.87 0.14 -0.75 114.94 122.93 1uxm s ASN 19 Ca -0.09 0.03 0.02 0.00 -1.57 0.00 0.00 52.86 51.24 1uxm s ASN 19 Cb -0.14 -1.57 0.01 0.00 -0.02 0.00 0.00 41.25 39.52 1uxm s ASN 19 CO 0.04 0.16 -0.05 -0.36 -2.57 0.00 0.00 177.10 174.31 1uxm s PHE 20 N -1.46 0.59 -0.07 2.20 0.40 0.00 -1.45 117.98 118.18 1uxm s PHE 20 Ca 0.31 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.46 1uxm s PHE 20 Cb -0.12 -0.45 0.03 0.00 0.51 0.00 0.00 43.02 42.98 1uxm s PHE 20 CO 0.23 -0.07 0.18 -2.00 0.70 0.00 0.00 175.22 174.26 1uxm s GLU 21 N 0.28 0.17 -0.02 0.44 2.12 -0.25 -0.90 118.70 120.53 1uxm s GLU 21 Ca -0.03 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.64 1uxm s GLU 21 Cb -0.07 -0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.31 1uxm s GLU 21 CO -0.00 -0.09 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.47 1uxm s GLN 22 N 0.63 0.35 -0.18 4.30 0.74 -0.07 -0.84 119.66 124.59 1uxm s GLN 22 Ca -0.04 -0.03 0.17 0.00 0.05 0.00 0.00 55.36 55.50 1uxm s GLN 22 Cb -0.06 -0.42 -0.24 0.00 1.10 0.00 0.00 33.01 33.39 1uxm s GLN 22 CO -0.03 -0.03 0.09 1.63 -0.55 0.00 0.00 175.29 176.39 1uxm n LYS 23 N 3.62 0.89 -4.29 1.67 5.02 -1.26 -4.39 118.16 119.41 1uxm n LYS 23 Ca -0.21 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 55.89 1uxm n LYS 23 Cb 0.54 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 1uxm n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1uxm s GLU 24 N -2.52 1.16 0.11 1.97 8.01 -1.26 -5.05 118.70 121.12 1uxm s GLU 24 Ca -0.09 -1.41 -0.17 0.00 0.01 0.00 0.00 54.97 53.30 1uxm s GLU 24 Cb 0.06 -0.98 -0.05 0.00 -4.31 0.00 0.00 34.13 28.85 1uxm s GLU 24 CO 0.78 0.17 1.58 0.66 0.01 0.00 0.00 175.26 178.47 1uxm h SER 25 N 3.04 0.50 -0.40 -0.19 4.64 -2.00 -2.71 113.55 116.42 1uxm h SER 25 Ca -0.39 -0.26 -0.26 0.00 -0.47 0.00 0.00 61.79 60.41 1uxm h SER 25 Cb 1.20 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 63.06 1uxm h SER 25 CO 0.57 0.63 0.20 -3.20 -0.87 0.00 0.00 176.83 174.15 1uxm n ASN 26 N -4.62 6.03 -4.16 4.97 2.85 -1.26 -4.93 115.26 114.14 1uxm n ASN 26 Ca -0.02 -2.85 -0.12 0.00 -0.11 0.00 0.00 54.58 51.48 1uxm n ASN 26 Cb 0.21 -1.16 -0.10 0.00 1.24 0.00 0.00 39.78 39.97 1uxm n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1uxm s GLY 27 N 0.90 0.75 0.48 8.20 0.00 -1.02 -5.13 107.32 111.51 1uxm s GLY 27 Ca 0.34 -1.25 -0.24 0.00 0.00 0.00 0.00 44.72 43.56 1uxm s GLY 27 CO -0.04 -1.35 1.35 -1.55 0.00 0.00 0.00 173.10 171.51 1uxm n PRO 28 N 0.23 1.93 -3.88 2.90 -0.04 -1.26 -4.84 135.00 130.04 1uxm n PRO 28 Ca -0.14 0.69 -0.36 0.00 -0.04 0.00 0.00 63.50 63.66 1uxm n PRO 28 Cb 0.60 -2.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1uxm n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxm s VAL 29 N -1.24 4.72 -0.14 0.52 1.01 0.73 -4.49 120.40 121.51 1uxm s VAL 29 Ca 0.65 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 1uxm s VAL 29 Cb -0.45 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1uxm s VAL 29 CO 0.54 0.40 0.73 -0.54 0.00 0.00 0.00 175.10 176.23 1uxm s LYS 30 N 0.90 4.32 -0.17 2.72 1.02 -0.02 -1.21 119.74 127.31 1uxm s LYS 30 Ca 0.04 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.89 1uxm s LYS 30 Cb -0.14 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1uxm s LYS 30 CO 0.03 -0.16 -0.14 0.54 -0.92 0.00 0.00 175.35 174.69 1uxm s VAL 31 N 1.60 1.72 0.07 3.17 0.11 0.62 -1.09 120.40 126.60 1uxm s VAL 31 Ca 0.35 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1uxm s VAL 31 Cb -0.17 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1uxm s VAL 31 CO 0.14 0.38 0.10 -1.66 -3.33 0.00 0.00 175.10 170.73 1uxm s TRP 32 N 1.41 0.31 -5.00 1.54 -2.14 -0.53 -0.09 118.94 114.43 1uxm s TRP 32 Ca 0.03 -0.79 0.00 0.00 2.66 0.00 0.00 56.10 58.00 1uxm s TRP 32 Cb -0.14 -0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.03 1uxm s TRP 32 CO -0.10 -0.48 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 1uxm n GLY 33 N 0.01 -0.29 2.96 3.67 0.00 -0.73 0.27 105.19 111.08 1uxm n GLY 33 Ca -0.14 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.04 0.02 1.61 0.15 -0.58 -0.85 113.70 110.01 1uxm s SER 34 Ca 0.00 0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.78 1uxm s SER 34 Cb 0.00 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1uxm s SER 34 CO 0.00 -0.07 -0.18 -0.63 1.20 0.00 0.00 173.24 173.56 1uxm s ILE 35 N -0.18 1.45 0.33 6.45 1.01 -0.36 -1.34 121.20 128.56 1uxm s ILE 35 Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1uxm s ILE 35 Cb -0.02 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 1uxm s ILE 35 CO 0.00 0.23 0.09 -1.59 0.00 0.00 0.00 174.94 173.67 1uxm s LYS 36 N -0.89 1.65 -0.16 2.79 -2.85 0.98 -0.68 119.74 120.57 1uxm s LYS 36 Ca 0.06 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 1uxm s LYS 36 Cb -0.08 -0.60 0.00 0.00 -2.06 0.00 0.00 37.83 35.09 1uxm s LYS 36 CO 0.01 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.57 1uxm n GLY 37 N -0.67 0.52 3.94 0.59 0.00 -1.15 -1.70 105.19 106.72 1uxm n GLY 37 Ca -0.02 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.34 3.72 0.60 0.99 2.01 -0.77 -4.32 118.68 120.57 1uxm s LEU 38 Ca 0.00 0.42 -0.07 0.00 0.01 0.00 0.00 54.13 54.50 1uxm s LEU 38 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 46.19 42.90 1uxm s LEU 38 CO 0.00 -0.60 0.92 0.42 1.01 0.00 0.00 176.35 178.10 1uxm s THR 39 N -2.54 3.73 0.37 5.49 -4.23 -1.26 -4.23 115.64 112.98 1uxm s THR 39 Ca 0.46 0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.80 1uxm s THR 39 Cb -0.10 -3.49 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 1uxm s THR 39 CO 0.39 -0.53 1.18 -0.70 -0.54 0.00 0.00 174.62 174.42 1uxm s GLU 40 N -5.03 4.20 0.00 3.99 2.12 -1.26 -4.58 118.70 118.14 1uxm s GLU 40 Ca 0.54 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1uxm s GLU 40 Cb -0.11 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1uxm s GLU 40 CO 0.46 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1uxm n GLY 41 N 0.74 -0.18 3.79 -1.50 0.00 -0.54 -4.91 105.19 102.60 1uxm n GLY 41 Ca 0.03 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 4.41 -0.02 0.99 1.02 -1.26 -0.47 118.68 123.35 1uxm s LEU 42 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 54.13 55.78 1uxm s LEU 42 Cb 0.00 -3.65 0.03 0.00 0.02 0.00 0.00 46.19 42.59 1uxm s LEU 42 CO 0.00 0.05 0.02 -1.00 0.02 0.00 0.00 176.35 175.44 1uxm s HIS 43 N -1.45 0.09 0.47 0.29 3.76 -0.53 -3.12 115.29 114.80 1uxm s HIS 43 Ca 0.43 0.10 -0.24 0.00 -0.15 0.00 0.00 55.06 55.21 1uxm s HIS 43 Cb -0.19 -0.27 -0.08 0.00 1.11 0.00 0.00 32.58 33.14 1uxm s HIS 43 CO 0.24 -0.10 1.32 0.41 -0.85 0.00 0.00 174.74 175.75 1uxm n GLY 44 N 4.18 0.67 2.60 -2.22 0.00 -0.83 -1.18 105.19 108.40 1uxm n GLY 44 Ca -0.28 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.24 0.18 0.06 1.61 5.36 -0.35 0.26 117.98 123.86 1uxm s PHE 45 Ca 0.64 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1uxm s PHE 45 Cb -0.47 -0.75 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1uxm s PHE 45 CO 0.55 -0.69 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.52 1uxm s HIS 46 N 2.15 0.84 -0.22 10.12 3.76 -0.83 -2.83 115.29 128.27 1uxm s HIS 46 Ca 0.06 -0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 54.24 1uxm s HIS 46 Cb -0.16 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.02 1uxm s HIS 46 CO -0.23 -0.05 0.60 0.08 -0.85 0.00 0.00 174.74 174.29 1uxm s VAL 47 N -1.59 5.03 0.38 -0.90 1.01 -0.16 -1.12 120.40 123.05 1uxm s VAL 47 Ca -0.06 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1uxm s VAL 47 Cb -0.08 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1uxm s VAL 47 CO 0.00 0.09 0.57 -1.00 0.00 0.00 0.00 175.10 174.76 1uxm s HIS 48 N 2.10 3.25 0.09 5.22 3.76 0.15 -0.71 115.29 129.16 1uxm s HIS 48 Ca 0.26 0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 55.09 1uxm s HIS 48 Cb -0.16 -2.09 -0.07 0.00 1.11 0.00 0.00 32.58 31.37 1uxm s HIS 48 CO 0.09 -0.12 1.52 1.49 -0.85 0.00 0.00 174.74 176.88 1uxm h GLU 49 N 0.66 0.48 -5.68 1.40 4.81 -0.92 -2.95 114.58 112.39 1uxm h GLU 49 Ca -0.47 -0.16 -0.66 0.00 -0.13 0.00 0.00 59.36 57.94 1uxm h GLU 49 Cb 1.25 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.43 1uxm h GLU 49 CO 0.57 0.65 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.84 1uxm s PHE 50 N -4.96 3.20 -0.82 0.92 0.08 -0.87 -4.66 117.98 110.88 1uxm s PHE 50 Ca -0.13 0.12 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 1uxm s PHE 50 Cb 0.08 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1uxm s PHE 50 CO 0.76 0.34 2.89 0.41 -0.10 0.00 0.00 175.22 179.51 1uxm n GLY 51 N 2.66 4.29 3.07 4.36 0.00 -0.66 -3.60 105.19 115.32 1uxm n GLY 51 Ca -0.18 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 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 1.05 4.11 -0.28 1.61 -1.08 -1.26 -4.94 116.67 115.88 1uxm s ASP 52 Ca 0.61 -1.21 0.12 0.00 -0.52 0.00 0.00 52.55 51.55 1uxm s ASP 52 Cb 0.28 -1.51 0.66 0.00 -1.46 0.00 0.00 42.92 40.88 1uxm s ASP 52 CO -0.11 -0.15 1.65 -3.20 0.52 0.00 0.00 175.17 173.88 1uxm n ASN 53 N 4.49 4.27 -0.33 -0.34 4.05 -1.26 -3.12 115.26 123.01 1uxm n ASN 53 Ca -0.15 -3.24 0.05 0.00 0.45 0.00 0.00 54.58 51.68 1uxm n ASN 53 Cb 0.44 -0.67 0.23 0.00 1.23 0.00 0.00 39.78 41.01 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1uxm h THR 54 N 2.24 1.03 -0.06 -0.44 1.35 -1.93 -2.88 112.91 112.22 1uxm h THR 54 Ca 0.18 -0.36 -0.04 0.00 -0.55 0.00 0.00 66.41 65.64 1uxm h THR 54 Cb 1.98 -0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1uxm h THR 54 CO 0.54 0.19 -0.53 0.00 -0.25 0.00 0.00 175.52 175.47 1uxm n ALA 55 N -2.38 3.76 0.00 6.62 0.00 -1.26 -5.06 120.51 122.18 1uxm n ALA 55 Ca 0.15 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1uxm n ALA 55 Cb 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.07 -1.38 0.27 0.00 0.00 -1.09 -4.17 105.19 97.75 1uxm n GLY 56 Ca 0.21 -1.61 0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 1.02 0.00 0.00 2.02 -1.91 -1.65 112.91 112.39 1uxm h THR 58 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1uxm h THR 58 Cb 0.54 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1uxm h THR 58 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1uxm n SER 59 N -4.69 0.00 0.00 4.18 3.41 -1.03 -1.91 113.62 113.57 1uxm n SER 59 Ca 0.10 -0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1uxm n SER 59 Cb 0.16 -0.13 0.39 0.00 -0.26 0.00 0.00 64.21 64.37 1uxm n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxm n ALA 60 N -1.13 1.83 -0.72 7.33 0.00 -0.62 -4.52 120.51 122.68 1uxm n ALA 60 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1uxm n ALA 60 Cb 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1uxm n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 61 N 0.26 0.35 2.56 0.00 0.00 -0.80 -2.04 105.19 105.51 1uxm n GLY 61 Ca 0.05 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 1uxm n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxm n PRO 62 N 0.00 -0.19 -2.06 1.61 -0.05 -1.26 -4.65 135.00 128.40 1uxm n PRO 62 Ca 0.00 -1.65 -0.37 0.00 -0.05 0.00 0.00 63.50 61.42 1uxm n PRO 62 Cb 0.00 -0.59 0.02 0.00 -0.05 0.00 0.00 33.50 32.88 1uxm n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1uxm s HIS 63 N -2.27 2.58 0.03 0.54 3.76 -1.26 -0.81 115.29 117.85 1uxm s HIS 63 Ca 0.46 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.55 1uxm s HIS 63 Cb -0.02 -3.52 -0.08 0.00 1.11 0.00 0.00 32.58 30.07 1uxm s HIS 63 CO 0.31 -2.08 1.88 0.12 -0.85 0.00 0.00 174.74 174.12 1uxm s PHE 64 N -1.50 1.55 -0.41 1.40 5.36 0.11 -4.40 117.98 120.09 1uxm s PHE 64 Ca 0.70 -0.26 0.08 0.00 -0.96 0.00 0.00 56.93 56.49 1uxm s PHE 64 Cb -0.32 -4.17 0.29 0.00 -0.34 0.00 0.00 43.02 38.48 1uxm s PHE 64 CO 0.38 -5.11 0.74 -1.71 -1.46 0.00 0.00 175.22 168.05 1uxm n ASN 65 N 7.18 -0.62 0.31 6.13 5.15 -1.26 -1.60 115.26 130.56 1uxm n ASN 65 Ca 0.19 -3.06 0.18 0.00 -0.60 0.00 0.00 54.58 51.29 1uxm n ASN 65 Cb 0.41 0.24 1.03 0.00 -0.53 0.00 0.00 39.78 40.93 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 3.56 0.00 -0.61 1.20 0.13 -1.92 -2.17 132.00 132.19 1uxm h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1uxm h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1uxm h PRO 66 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1uxm n LEU 67 N -3.57 5.23 -4.18 1.56 4.77 -1.26 -4.97 117.00 114.59 1uxm n LEU 67 Ca -0.03 -2.69 -0.30 0.00 -0.03 0.00 0.00 56.01 52.97 1uxm n LEU 67 Cb 0.08 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1uxm n LEU 67 CO 0.25 0.73 -0.34 -1.20 -1.33 0.00 0.00 177.39 175.49 1uxm n SER 68 N 0.87 0.09 -4.97 -1.43 7.64 -0.82 -4.96 113.62 110.04 1uxm n SER 68 Ca 0.27 -1.15 -0.19 0.00 1.01 0.00 0.00 58.87 58.80 1uxm n SER 68 Cb 1.04 -2.24 0.04 0.00 -1.01 0.00 0.00 64.21 62.05 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 -7.02 2.46 0.58 1.43 1.81 -1.26 -5.11 118.95 111.82 1uxm s ARG 69 Ca 0.08 -1.32 -0.06 0.00 -1.72 0.00 0.00 55.73 52.71 1uxm s ARG 69 Cb -0.05 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 1uxm s ARG 69 CO 0.95 -0.69 0.89 0.15 -0.68 0.00 0.00 175.30 175.92 1uxm s LYS 70 N -4.62 3.04 0.46 3.54 1.02 -1.26 -4.67 119.74 117.25 1uxm s LYS 70 Ca 0.59 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.42 1uxm s LYS 70 Cb -0.08 -2.28 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1uxm s LYS 70 CO 0.37 -0.63 1.15 -1.58 -0.92 0.00 0.00 175.35 173.75 1uxm s HIS 71 N -2.97 2.88 0.07 3.18 5.65 -0.67 -2.98 115.29 120.46 1uxm s HIS 71 Ca 0.53 1.54 -0.04 0.00 0.25 0.00 0.00 55.06 57.35 1uxm s HIS 71 Cb -0.11 -3.35 0.01 0.00 -1.18 0.00 0.00 32.58 27.96 1uxm s HIS 71 CO 0.46 -1.44 0.20 0.41 -0.65 0.00 0.00 174.74 173.72 1uxm n GLY 72 N 0.40 1.50 3.95 1.59 0.00 -1.25 -4.42 105.19 106.95 1uxm n GLY 72 Ca 0.08 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.79 1.62 0.32 -0.02 0.00 -1.19 -4.73 107.32 101.52 1uxm s GLY 73 Ca 0.04 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.77 1uxm s GLY 73 CO 0.02 -0.84 1.81 -2.55 0.00 0.00 0.00 173.10 171.54 1uxm h PRO 74 N 0.25 0.76 -0.01 2.90 0.11 -1.87 0.35 132.00 134.50 1uxm h PRO 74 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uxm h PRO 74 Cb 1.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1uxm h PRO 74 CO 0.57 0.51 -0.13 1.63 -0.21 0.00 0.00 178.00 180.36 1uxm n LYS 75 N -4.67 1.29 -2.46 1.05 4.76 -1.26 -4.87 118.16 112.00 1uxm n LYS 75 Ca 0.21 -0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 54.49 1uxm n LYS 75 Cb 0.51 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 -2.25 6.78 0.19 4.39 1.01 0.11 -4.93 116.67 121.98 1uxm s ASP 76 Ca 0.31 2.17 -0.11 0.00 0.71 0.00 0.00 52.55 55.62 1uxm s ASP 76 Cb 0.20 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.64 1uxm s ASP 76 CO 0.43 -0.48 1.79 -0.08 0.21 0.00 0.00 175.17 177.04 1uxm h GLU 77 N 2.79 0.96 -4.41 8.23 4.57 -1.89 -3.39 114.58 121.43 1uxm h GLU 77 Ca -0.48 -0.13 -0.73 0.00 -1.18 0.00 0.00 59.36 56.85 1uxm h GLU 77 Cb 1.22 -0.18 -0.23 0.00 -0.16 0.00 0.00 28.75 29.40 1uxm h GLU 77 CO 0.63 0.74 -0.39 -2.00 -1.18 0.00 0.00 179.01 176.80 1uxm s GLU 78 N -5.78 2.92 0.10 1.92 2.56 -1.26 -5.03 118.70 114.13 1uxm s GLU 78 Ca -0.13 -1.23 -0.25 0.00 0.00 0.00 0.00 54.97 53.36 1uxm s GLU 78 Cb 0.14 -4.01 0.08 0.00 2.00 0.00 0.00 34.13 32.34 1uxm s GLU 78 CO 0.79 -0.90 0.79 -0.98 -0.56 0.00 0.00 175.26 174.40 1uxm s ARG 79 N 1.62 1.13 0.50 4.30 1.04 -1.21 -3.78 118.95 122.55 1uxm s ARG 79 Ca 0.04 -0.49 -0.21 0.00 -1.04 0.00 0.00 55.73 54.03 1uxm s ARG 79 Cb -0.22 0.48 -0.07 0.00 -2.04 0.00 0.00 34.95 33.10 1uxm s ARG 79 CO 0.07 -0.50 1.14 -1.01 -0.04 0.00 0.00 175.30 174.96 1uxm s HIS 80 N -3.44 2.79 0.33 5.89 3.76 -1.16 -4.73 115.29 118.74 1uxm s HIS 80 Ca 0.06 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.58 1uxm s HIS 80 Cb -0.02 -3.32 0.77 0.00 1.11 0.00 0.00 32.58 31.12 1uxm s HIS 80 CO -0.07 -1.50 1.83 0.28 -0.85 0.00 0.00 174.74 174.44 1uxm h VAL 81 N 1.56 0.80 0.00 -0.90 2.07 -1.85 -1.07 116.25 116.85 1uxm h VAL 81 Ca -0.50 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1uxm h VAL 81 Cb 1.25 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1uxm h VAL 81 CO 0.59 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1uxm n GLY 82 N -1.39 -0.83 3.55 2.17 0.00 -0.62 -4.32 105.19 103.75 1uxm n GLY 82 Ca 0.20 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.88 5.98 -0.04 1.61 1.01 -0.41 -0.99 116.67 121.96 1uxm s ASP 83 Ca 0.34 -0.70 0.19 0.00 0.71 0.00 0.00 52.55 53.08 1uxm s ASP 83 Cb 0.16 -2.56 0.59 0.00 1.01 0.00 0.00 42.92 42.12 1uxm s ASP 83 CO 0.26 -1.95 1.50 0.18 0.21 0.00 0.00 175.17 175.37 1uxm n LEU 84 N 10.45 3.98 0.00 1.23 4.77 -1.13 -3.71 117.00 132.58 1uxm n LEU 84 Ca 0.22 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1uxm n LEU 84 Cb 0.50 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uxm n LEU 84 CO 0.68 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1uxm n GLY 85 N 1.15 0.85 3.57 -0.72 0.00 -1.22 -4.79 105.19 104.03 1uxm n GLY 85 Ca 0.22 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 4.12 0.25 1.61 0.01 -1.26 -1.21 114.94 114.46 1uxm s ASN 86 Ca 0.00 -0.80 0.12 0.00 -0.71 0.00 0.00 52.86 51.46 1uxm s ASN 86 Cb 0.00 -0.61 -0.05 0.00 0.41 0.00 0.00 41.25 41.01 1uxm s ASN 86 CO 0.00 0.03 -0.19 0.68 -1.51 0.00 0.00 177.10 176.11 1uxm s VAL 87 N -2.35 2.56 -0.16 1.60 -7.23 -0.33 -4.90 120.40 109.61 1uxm s VAL 87 Ca 0.30 -2.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1uxm s VAL 87 Cb -0.06 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1uxm s VAL 87 CO 0.17 -0.32 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.63 1uxm s THR 88 N -2.26 2.91 -0.09 5.32 2.01 -1.26 -1.45 115.64 120.81 1uxm s THR 88 Ca 0.28 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1uxm s THR 88 Cb -0.06 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1uxm s THR 88 CO 0.14 0.50 0.19 0.00 -0.69 0.00 0.00 174.62 174.77 1uxm s ALA 89 N 0.78 3.85 0.91 7.40 0.00 0.38 -4.13 121.76 130.95 1uxm s ALA 89 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1uxm s ALA 89 Cb -0.15 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1uxm s ALA 89 CO 0.01 0.60 0.00 -0.40 0.00 0.00 0.00 175.76 175.97 1uxm n ASP 90 N 1.90 0.00 0.11 0.00 5.68 -0.50 -1.46 116.55 122.27 1uxm n ASP 90 Ca -0.18 -0.78 0.13 0.00 -0.50 0.00 0.00 54.79 53.45 1uxm n ASP 90 Cb 0.54 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.96 1uxm n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uxm n LYS 91 N -0.78 0.24 0.00 0.11 -0.00 -1.26 -1.76 118.16 114.71 1uxm n LYS 91 Ca 0.00 0.28 0.14 0.00 -0.00 0.00 0.00 58.31 58.74 1uxm n LYS 91 Cb 0.00 -1.82 0.61 0.00 -0.00 0.00 0.00 35.03 33.82 1uxm n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1uxm n ASP 92 N -2.25 1.17 -0.01 -5.58 8.00 -1.26 -4.92 116.55 111.71 1uxm n ASP 92 Ca 0.04 -1.38 -0.00 0.00 0.71 0.00 0.00 54.79 54.16 1uxm n ASP 92 Cb 0.36 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 1.14 0.47 3.55 0.44 0.00 -0.72 -4.78 105.19 105.29 1uxm n GLY 93 Ca 0.20 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.96 4.31 -0.28 1.61 1.01 -1.26 -1.85 120.40 121.99 1uxm s VAL 94 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1uxm s VAL 94 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1uxm s VAL 94 CO 0.00 0.46 0.10 0.00 0.00 0.00 0.00 175.10 175.66 1uxm s ALA 95 N 0.50 3.19 -0.50 5.51 0.00 0.14 -1.42 121.76 129.19 1uxm s ALA 95 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 1uxm s ALA 95 Cb -0.13 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.86 1uxm s ALA 95 CO 0.02 -0.68 0.53 -0.51 0.00 0.00 0.00 175.76 175.12 1uxm s ASP 96 N 1.60 6.19 0.09 0.00 1.11 -1.26 -1.22 116.67 123.19 1uxm s ASP 96 Ca 0.05 -1.13 -0.21 0.00 0.18 0.00 0.00 52.55 51.44 1uxm s ASP 96 Cb -0.16 -2.25 -0.07 0.00 1.07 0.00 0.00 42.92 41.51 1uxm s ASP 96 CO 0.04 -0.80 0.64 -0.69 1.18 0.00 0.00 175.17 175.54 1uxm s VAL 97 N 2.21 4.64 -0.30 -1.27 1.01 -0.03 -4.90 120.40 121.77 1uxm s VAL 97 Ca 0.10 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.47 1uxm s VAL 97 Cb -0.22 -3.98 0.19 0.00 0.00 0.00 0.00 36.38 32.37 1uxm s VAL 97 CO 0.09 0.53 0.61 -0.55 0.00 0.00 0.00 175.10 175.78 1uxm s SER 98 N -0.99 -1.44 0.04 3.32 0.15 -1.24 -1.78 113.70 111.76 1uxm s SER 98 Ca 0.32 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.64 1uxm s SER 98 Cb -0.21 2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 66.19 1uxm s SER 98 CO 0.21 -0.27 -0.07 -0.63 1.20 0.00 0.00 173.24 173.69 1uxm s ILE 99 N 2.85 0.48 -0.08 6.45 1.01 0.87 -5.00 121.20 127.78 1uxm s ILE 99 Ca 0.17 -1.11 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1uxm s ILE 99 Cb -0.13 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1uxm s ILE 99 CO -0.22 -0.44 -0.17 -0.70 0.00 0.00 0.00 174.94 173.41 1uxm s GLU 100 N -1.72 2.18 -0.08 2.79 2.12 -1.26 -0.28 118.70 122.44 1uxm s GLU 100 Ca -0.09 -0.59 -0.05 0.00 0.36 0.00 0.00 54.97 54.60 1uxm s GLU 100 Cb -0.09 -1.73 0.04 0.00 0.26 0.00 0.00 34.13 32.61 1uxm s GLU 100 CO -0.00 0.09 0.20 0.34 -0.54 0.00 0.00 175.26 175.35 1uxm s ASP 101 N 0.51 -0.19 0.00 -1.70 2.15 -0.35 -4.94 116.67 112.15 1uxm s ASP 101 Ca -0.15 0.41 0.17 0.00 0.43 0.00 0.00 52.55 53.40 1uxm s ASP 101 Cb -0.16 0.32 0.15 0.00 -0.30 0.00 0.00 42.92 42.92 1uxm s ASP 101 CO 0.05 -0.14 1.05 -1.20 -0.17 0.00 0.00 175.17 174.77 1uxm n SER 102 N 3.95 2.45 -0.04 -0.34 7.64 -1.26 -0.19 113.62 125.83 1uxm n SER 102 Ca -0.23 -1.72 -0.21 0.00 1.01 0.00 0.00 58.87 57.72 1uxm n SER 102 Cb 0.54 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 1uxm n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uxm h VAL 103 N 3.31 0.90 -4.22 0.44 2.07 -1.93 -3.46 116.25 113.36 1uxm h VAL 103 Ca 0.00 -2.30 -0.50 0.00 0.82 0.00 0.00 66.70 64.72 1uxm h VAL 103 Cb 0.71 2.49 0.14 0.00 -1.52 0.00 0.00 31.29 33.11 1uxm h VAL 103 CO 0.00 0.61 0.28 0.27 0.02 0.00 0.00 177.57 178.75 1uxm s ILE 104 N -2.45 2.99 0.15 4.57 -4.36 -1.26 -4.87 121.20 115.97 1uxm s ILE 104 Ca -0.24 0.32 -0.13 0.00 -0.26 0.00 0.00 60.65 60.35 1uxm s ILE 104 Cb 0.05 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1uxm s ILE 104 CO 0.70 -0.42 0.36 -0.55 0.24 0.00 0.00 174.94 175.27 1uxm s SER 105 N -3.32 -0.08 0.00 4.36 0.15 -1.16 -4.71 113.70 108.94 1uxm s SER 105 Ca 0.62 -0.62 0.19 0.00 0.70 0.00 0.00 55.95 56.84 1uxm s SER 105 Cb -0.18 0.47 0.52 0.00 -1.71 0.00 0.00 66.02 65.12 1uxm s SER 105 CO 0.57 -0.90 1.44 0.18 1.20 0.00 0.00 173.24 175.72 1uxm n LEU 106 N -0.23 3.59 -3.93 3.45 4.77 -1.26 -2.03 117.00 121.36 1uxm n LEU 106 Ca -0.11 -1.95 -0.09 0.00 -0.03 0.00 0.00 56.01 53.83 1uxm n LEU 106 Cb 0.63 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1uxm n LEU 106 CO 0.21 0.89 0.13 -0.94 -1.33 0.00 0.00 177.39 176.34 1uxm s SER 107 N -1.03 -0.09 0.47 -1.43 1.04 -1.26 -4.02 113.70 107.38 1uxm s SER 107 Ca 0.40 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1uxm s SER 107 Cb 0.21 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1uxm s SER 107 CO 0.28 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1uxm n GLY 108 N -0.32 -0.76 0.32 7.32 0.00 -1.26 -3.44 105.19 107.06 1uxm n GLY 108 Ca -0.05 -1.13 0.19 0.00 0.00 0.00 0.00 46.02 45.02 1uxm n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxm h ASP 109 N 0.00 0.00 -0.38 1.61 3.32 -2.01 -2.27 116.42 116.70 1uxm h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uxm h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxm h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1uxm n HIS 110 N -3.42 1.05 -1.74 4.55 8.25 -1.26 -4.96 115.22 117.69 1uxm n HIS 110 Ca -0.02 -0.74 -0.41 0.00 -0.26 0.00 0.00 57.72 56.29 1uxm n HIS 110 Cb 0.13 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 0.17 0.00 -1.68 0.00 -5.35 -0.86 -4.92 119.36 106.72 1uxm n ILE 112 Ca 0.04 -0.36 -0.45 0.00 -0.27 0.00 0.00 62.75 61.70 1uxm n ILE 112 Cb 0.39 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.45 0.28 -0.27 7.28 2.08 -1.26 -1.20 119.36 125.81 1uxm n ILE 113 Ca 0.04 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1uxm n ILE 113 Cb 0.21 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 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 3.09 1.38 1.86 7.39 0.00 -0.07 -4.97 105.19 113.88 1uxm n GLY 114 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.74 -4.93 1.61 1.74 -0.34 -1.65 116.66 111.83 1uxm n ARG 115 Ca 0.00 -1.47 -0.33 0.00 -0.77 0.00 0.00 57.85 55.29 1uxm n ARG 115 Cb 0.00 -0.14 -0.15 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.80 2.76 -0.16 0.55 2.01 -1.11 -0.40 115.64 118.50 1uxm s THR 116 Ca 0.29 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 1uxm s THR 116 Cb -0.02 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1uxm s THR 116 CO 0.19 0.54 0.34 -0.22 -0.69 0.00 0.00 174.62 174.78 1uxm s LEU 117 N 0.17 4.24 0.03 4.42 2.96 0.08 0.34 118.68 130.91 1uxm s LEU 117 Ca -0.09 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.46 1uxm s LEU 117 Cb -0.15 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 1uxm s LEU 117 CO 0.06 0.06 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.23 1uxm s VAL 118 N 0.61 1.82 -0.11 1.68 1.01 -0.27 -2.11 120.40 123.02 1uxm s VAL 118 Ca 0.19 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1uxm s VAL 118 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1uxm s VAL 118 CO 0.06 0.34 -0.18 0.54 0.00 0.00 0.00 175.10 175.85 1uxm s VAL 119 N -0.72 2.62 0.27 2.92 0.11 -0.53 -1.96 120.40 123.11 1uxm s VAL 119 Ca 0.09 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1uxm s VAL 119 Cb -0.09 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1uxm s VAL 119 CO 0.01 0.54 0.40 -1.00 -3.33 0.00 0.00 175.10 171.72 1uxm s HIS 120 N 0.24 3.36 0.20 1.54 3.76 0.14 -1.15 115.29 123.38 1uxm s HIS 120 Ca -0.12 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.71 1uxm s HIS 120 Cb -0.16 -1.70 0.13 0.00 1.11 0.00 0.00 32.58 31.96 1uxm s HIS 120 CO 0.06 0.31 1.50 1.49 -0.85 0.00 0.00 174.74 177.25 1uxm h GLU 121 N 1.08 0.45 -5.16 1.40 4.81 -1.00 -3.38 114.58 112.79 1uxm h GLU 121 Ca -0.50 -0.31 -0.64 0.00 -0.13 0.00 0.00 59.36 57.78 1uxm h GLU 121 Cb 1.24 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 1uxm h GLU 121 CO 0.59 0.92 -0.52 0.15 -0.73 0.00 0.00 179.01 179.42 1uxm s LYS 122 N -3.84 2.10 0.49 1.92 1.02 0.11 -4.94 119.74 116.61 1uxm s LYS 122 Ca -0.06 -2.32 -0.22 0.00 0.02 0.00 0.00 55.97 53.39 1uxm s LYS 122 Cb 0.11 -1.23 -0.07 0.00 -0.52 0.00 0.00 37.83 36.13 1uxm s LYS 122 CO 0.83 -0.39 1.17 0.00 -0.92 0.00 0.00 175.35 176.04 1uxm s ALA 123 N -2.98 2.88 -0.20 5.17 0.00 -1.18 -1.97 121.76 123.47 1uxm s ALA 123 Ca 0.12 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1uxm s ALA 123 Cb 0.02 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1uxm s ALA 123 CO 0.07 -0.76 0.95 0.34 0.00 0.00 0.00 175.76 176.37 1uxm s ASP 124 N -1.44 7.04 -0.03 0.00 -1.08 -1.26 -3.85 116.67 116.05 1uxm s ASP 124 Ca 0.67 1.29 0.04 0.00 -0.52 0.00 0.00 52.55 54.03 1uxm s ASP 124 Cb -0.28 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.83 1uxm s ASP 124 CO 0.34 -0.56 0.91 -0.90 0.52 0.00 0.00 175.17 175.48 1uxm n ASP 125 N 5.88 1.50 -1.39 -0.34 5.68 -0.58 -4.87 116.55 122.43 1uxm n ASP 125 Ca 0.09 -2.11 -0.15 0.00 -0.50 0.00 0.00 54.79 52.12 1uxm n ASP 125 Cb 0.47 -0.36 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.06 -1.04 0.00 -2.12 4.77 -1.26 -1.85 117.00 115.56 1uxm n LEU 126 Ca 0.06 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1uxm n LEU 126 Cb 0.31 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1uxm n LEU 126 CO 0.05 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 175.94 1uxm n GLY 127 N -0.25 0.67 0.79 -0.72 0.00 -1.26 -3.20 105.19 101.23 1uxm n GLY 127 Ca -0.15 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.61 1.09 0.04 1.61 5.02 -0.77 -4.76 118.16 118.78 1uxm n LYS 128 Ca 0.00 -2.83 0.13 0.00 -2.02 0.00 0.00 58.31 53.59 1uxm n LYS 128 Cb 0.25 -1.14 0.36 0.00 -0.02 0.00 0.00 35.03 34.48 1uxm n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uxm n GLY 129 N -0.68 -1.47 2.59 0.72 0.00 -1.26 -4.94 105.19 100.16 1uxm n GLY 129 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.41 0.65 3.22 -0.02 0.00 -1.26 -4.98 105.19 104.21 1uxm n GLY 130 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 2.06 0.26 1.61 2.20 -1.26 -5.05 114.94 112.34 1uxm s ASN 131 Ca 0.00 -0.65 -0.01 0.00 -0.94 0.00 0.00 52.86 51.27 1uxm s ASN 131 Cb 0.00 -0.09 0.59 0.00 -2.00 0.00 0.00 41.25 39.75 1uxm s ASN 131 CO 0.00 -0.01 1.37 -0.62 -2.94 0.00 0.00 177.10 174.89 1uxm n GLU 132 N 1.20 -0.07 -0.10 3.55 1.02 -1.26 -0.20 120.64 124.78 1uxm n GLU 132 Ca -0.20 1.32 -0.07 0.00 -0.02 0.00 0.00 57.16 58.19 1uxm n GLU 132 Cb 0.54 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.90 1uxm n GLU 132 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1uxm h GLU 133 N 0.00 0.31 -1.01 3.49 4.57 -2.00 -0.73 114.58 119.20 1uxm h GLU 133 Ca 0.50 -0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.91 1uxm h GLU 133 Cb 0.96 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.39 1uxm h GLU 133 CO -0.84 0.20 0.66 1.03 -1.18 0.00 0.00 179.01 178.88 1uxm h SER 134 N 0.32 0.42 0.31 1.04 0.87 -0.91 0.76 113.55 116.36 1uxm h SER 134 Ca 0.15 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1uxm h SER 134 Cb 0.09 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1uxm h SER 134 CO -0.12 0.10 0.00 1.07 -0.53 0.00 0.00 176.83 177.35 1uxm n THR 135 N -4.58 0.35 0.00 2.23 5.66 -0.29 -1.80 114.28 115.85 1uxm n THR 135 Ca 0.24 0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 1uxm n THR 135 Cb 0.85 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 1uxm n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1uxm n LYS 136 N -1.24 0.00 0.00 1.09 5.02 0.25 -1.66 118.16 121.62 1uxm n LYS 136 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1uxm n LYS 136 Cb 0.14 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.56 0.00 -1.78 -0.18 -2.24 -0.12 -4.72 114.28 102.68 1uxm n THR 137 Ca 0.00 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1uxm n THR 137 Cb 0.48 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.48 0.57 2.72 3.38 0.00 -0.75 -3.00 105.19 108.59 1uxm n GLY 138 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.04 -4.97 0.00 1.61 3.02 -1.26 -1.53 115.26 112.09 1uxm n ASN 139 Ca -0.13 -0.08 0.09 0.00 -0.03 0.00 0.00 54.58 54.44 1uxm n ASN 139 Cb 0.49 -4.12 0.45 0.00 -0.61 0.00 0.00 39.78 35.99 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 -2.70 1.96 -0.26 5.41 0.00 -1.16 -4.66 120.51 119.09 1uxm n ALA 140 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1uxm n ALA 140 Cb 0.62 -1.30 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 0.35 0.38 3.50 0.00 0.00 -1.26 0.08 105.19 108.23 1uxm n GLY 141 Ca 0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 1.28 -1.45 -4.38 1.61 7.64 -1.26 -4.67 113.62 112.40 1uxm n SER 142 Ca 0.00 -0.08 -0.41 0.00 1.01 0.00 0.00 58.87 59.38 1uxm n SER 142 Cb 0.00 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 61.80 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 -4.44 2.83 0.18 1.43 0.52 -1.26 -1.74 118.95 116.46 1uxm s ARG 143 Ca 0.69 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 1uxm s ARG 143 Cb -0.25 -3.82 0.02 0.00 0.52 0.00 0.00 34.95 31.42 1uxm s ARG 143 CO 0.64 -0.77 1.41 -0.07 0.02 0.00 0.00 175.30 176.52 1uxm h LEU 144 N 8.49 0.12 -7.00 2.53 3.38 -1.43 -3.48 115.31 117.93 1uxm h LEU 144 Ca -0.26 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 57.76 1uxm h LEU 144 Cb 1.10 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 1uxm h LEU 144 CO 0.71 0.91 0.59 0.00 0.09 0.00 0.00 178.44 180.74 1uxm s ALA 145 N -3.16 -1.91 0.30 1.53 0.00 -1.17 -4.18 121.76 113.17 1uxm s ALA 145 Ca -0.01 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 1uxm s ALA 145 Cb 0.11 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1uxm s ALA 145 CO 0.81 -0.57 0.68 0.00 0.00 0.00 0.00 175.76 176.68 1uxm s GLY 147 N -2.99 -0.39 0.15 0.00 0.00 -0.90 -0.74 107.32 102.46 1uxm s GLY 147 Ca 0.15 0.66 -0.27 0.00 0.00 0.00 0.00 44.72 45.26 1uxm s GLY 147 CO 0.09 0.20 0.83 0.14 0.00 0.00 0.00 173.10 174.36 1uxm s VAL 148 N -3.21 4.39 -0.22 1.40 1.01 -1.26 -0.74 120.40 121.76 1uxm s VAL 148 Ca 0.07 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.63 1uxm s VAL 148 Cb -0.01 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1uxm s VAL 148 CO -0.05 0.47 0.73 -0.63 0.00 0.00 0.00 175.10 175.61 1uxm s ILE 149 N -0.83 4.93 0.21 2.22 1.01 0.47 -4.43 121.20 124.77 1uxm s ILE 149 Ca 0.38 1.36 0.08 0.00 0.00 0.00 0.00 60.65 62.48 1uxm s ILE 149 Cb -0.23 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1uxm s ILE 149 CO 0.27 0.01 -0.15 -0.83 0.00 0.00 0.00 174.94 174.25 1uxm s GLY 150 N 1.32 1.45 0.11 6.18 0.00 -0.14 -0.89 107.32 115.35 1uxm s GLY 150 Ca 0.31 -1.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.06 1uxm s GLY 150 CO 0.09 -1.77 1.29 -0.42 0.00 0.00 0.00 173.10 172.30 1uxm s ILE 151 N -2.95 3.58 0.30 0.90 1.01 -1.26 -0.15 121.20 122.62 1uxm s ILE 151 Ca 0.23 1.17 0.09 0.00 0.00 0.00 0.00 60.65 62.14 1uxm s ILE 151 Cb -0.01 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1uxm s ILE 151 CO 0.07 0.11 0.05 0.00 0.00 0.00 0.00 174.94 175.18 1uxm s ALA 152 N 0.83 3.29 -2.00 9.38 0.00 -0.37 -4.77 121.76 128.11 1uxm s ALA 152 Ca 0.60 -1.76 0.24 0.00 0.00 0.00 0.00 51.96 51.04 1uxm s ALA 152 Cb -0.34 -0.70 1.45 0.00 0.00 0.00 0.00 23.12 23.54 1uxm s ALA 152 CO 0.32 0.15 1.82 0.94 0.00 0.00 0.00 175.76 178.99