#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 0.16 -4.55 0.00 -1.04 -1.26 -4.75 114.28 102.84 1uxm n THR 2 Ca 0.00 0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.80 1uxm n THR 2 Cb 0.00 -1.16 -0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1uxm n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1uxm s LYS 3 N -2.00 1.93 0.11 -2.82 2.20 -1.26 -0.48 119.74 117.41 1uxm s LYS 3 Ca 0.00 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1uxm s LYS 3 Cb 0.00 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.66 1uxm s LYS 3 CO 0.00 -0.01 -0.06 0.14 -0.36 0.00 0.00 175.35 175.06 1uxm s VAL 4 N 0.81 0.70 0.06 4.02 -7.23 0.11 -0.76 120.40 118.10 1uxm s VAL 4 Ca -0.11 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1uxm s VAL 4 Cb -0.15 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1uxm s VAL 4 CO 0.02 -0.84 0.06 0.54 -0.31 0.00 0.00 175.10 174.57 1uxm s VAL 5 N -3.62 0.18 -0.11 1.32 0.11 0.23 -0.68 120.40 117.83 1uxm s VAL 5 Ca 0.13 -1.47 -0.05 0.00 -2.93 0.00 0.00 61.98 57.66 1uxm s VAL 5 Cb 0.05 -1.33 0.05 0.00 -1.53 0.00 0.00 36.38 33.62 1uxm s VAL 5 CO -0.04 -0.81 0.24 0.00 -3.33 0.00 0.00 175.10 171.16 1uxm s VAL 7 N 1.50 4.91 -0.17 0.00 1.01 -1.26 -0.63 120.40 125.76 1uxm s VAL 7 Ca -0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1uxm s VAL 7 Cb -0.11 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1uxm s VAL 7 CO -0.08 0.17 0.48 -0.76 0.00 0.00 0.00 175.10 174.91 1uxm s LEU 8 N 1.69 4.19 0.06 3.92 1.02 0.78 -3.78 118.68 126.55 1uxm s LEU 8 Ca 0.06 0.69 -0.05 0.00 0.02 0.00 0.00 54.13 54.86 1uxm s LEU 8 Cb -0.16 -2.67 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 1uxm s LEU 8 CO 0.08 -0.10 0.08 -0.54 0.02 0.00 0.00 176.35 175.90 1uxm s LYS 9 N 1.21 0.67 0.00 1.70 1.02 -0.48 -2.22 119.74 121.64 1uxm s LYS 9 Ca 0.24 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1uxm s LYS 9 Cb -0.15 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1uxm s LYS 9 CO 0.09 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1uxm n GLY 10 N 0.31 2.88 0.11 -3.33 0.00 -1.25 -1.04 105.19 102.88 1uxm n GLY 10 Ca -0.16 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1uxm n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxm h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.90 -3.47 116.42 115.98 1uxm h ASP 11 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1uxm h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxm h ASP 11 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 1uxm n GLY 12 N 1.28 3.86 0.06 2.75 0.00 -1.26 -5.03 105.19 106.84 1uxm n GLY 12 Ca 0.04 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 0.33 -2.25 1.61 -0.04 -1.26 -4.90 135.00 128.48 1uxm n PRO 13 Ca 0.00 -0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1uxm n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.76 3.59 -0.01 0.52 1.01 -1.26 -4.34 120.40 117.16 1uxm s VAL 14 Ca 0.20 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1uxm s VAL 14 Cb 0.19 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1uxm s VAL 14 CO 0.55 0.07 0.53 0.00 0.00 0.00 0.00 175.10 176.25 1uxm s GLN 15 N 1.33 0.94 0.05 2.72 -2.07 -0.94 -3.85 119.66 117.84 1uxm s GLN 15 Ca 0.63 -0.01 -0.21 0.00 -1.82 0.00 0.00 55.36 53.95 1uxm s GLN 15 Cb -0.34 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.09 1uxm s GLN 15 CO 0.29 -0.30 0.96 0.41 -1.32 0.00 0.00 175.29 175.33 1uxm n GLY 16 N 0.86 0.47 2.93 2.60 0.00 -0.94 -0.46 105.19 110.64 1uxm n GLY 16 Ca -0.19 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.09 0.88 -0.08 -0.61 1.01 -0.83 -0.16 121.20 119.32 1uxm s ILE 17 Ca 0.22 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1uxm s ILE 17 Cb -0.01 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1uxm s ILE 17 CO 0.02 0.32 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 1uxm s ILE 18 N 1.19 1.64 0.03 2.92 -1.09 0.20 -2.30 121.20 123.79 1uxm s ILE 18 Ca -0.06 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1uxm s ILE 18 Cb -0.14 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 1uxm s ILE 18 CO -0.02 0.47 0.16 0.20 -1.23 0.00 0.00 174.94 174.52 1uxm s ASN 19 N 0.43 6.11 -0.03 3.58 -0.87 0.45 -0.75 114.94 123.85 1uxm s ASN 19 Ca -0.16 0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.39 1uxm s ASN 19 Cb -0.17 -1.84 0.00 0.00 -0.02 0.00 0.00 41.25 39.23 1uxm s ASN 19 CO 0.06 0.22 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.36 1uxm s PHE 20 N -1.37 0.96 -0.01 2.20 0.40 0.14 -1.37 117.98 118.92 1uxm s PHE 20 Ca 0.29 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1uxm s PHE 20 Cb -0.13 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1uxm s PHE 20 CO 0.21 -0.11 -0.00 -2.00 0.70 0.00 0.00 175.22 174.02 1uxm s GLU 21 N 0.23 0.16 -0.05 0.44 2.12 0.24 -0.71 118.70 121.13 1uxm s GLU 21 Ca -0.04 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1uxm s GLU 21 Cb -0.09 -0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.06 1uxm s GLU 21 CO 0.01 -0.05 0.01 -1.14 -0.54 0.00 0.00 175.26 173.54 1uxm s GLN 22 N 0.49 0.40 -0.04 4.30 0.74 0.37 -0.64 119.66 125.28 1uxm s GLN 22 Ca -0.04 0.13 0.12 0.00 0.05 0.00 0.00 55.36 55.62 1uxm s GLN 22 Cb -0.07 -0.71 -0.23 0.00 1.10 0.00 0.00 33.01 33.10 1uxm s GLN 22 CO -0.01 -0.23 0.69 0.87 -0.55 0.00 0.00 175.29 176.06 1uxm h LYS 23 N 7.89 0.00 -6.33 1.67 1.57 -1.85 -3.37 116.57 116.16 1uxm h LYS 23 Ca -0.27 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.89 1uxm h LYS 23 Cb 1.13 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.19 1uxm h LYS 23 CO 0.33 0.52 -0.85 -1.21 -0.57 0.00 0.00 179.45 177.66 1uxm s GLU 24 N -2.60 1.49 0.09 3.15 8.01 -1.26 -5.03 118.70 122.54 1uxm s GLU 24 Ca -0.04 -1.03 -0.25 0.00 0.01 0.00 0.00 54.97 53.66 1uxm s GLU 24 Cb 0.08 -1.66 -0.10 0.00 -4.31 0.00 0.00 34.13 28.15 1uxm s GLU 24 CO 0.82 0.42 1.41 0.66 0.01 0.00 0.00 175.26 178.58 1uxm h SER 25 N 4.73 -1.28 0.00 -0.19 4.64 -1.93 -2.73 113.55 116.79 1uxm h SER 25 Ca -0.44 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1uxm h SER 25 Cb 1.16 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1uxm h SER 25 CO 0.43 -0.36 0.00 0.59 -0.87 0.00 0.00 176.83 176.63 1uxm n ASN 26 N -4.68 0.00 -3.60 4.97 4.13 -1.26 -4.85 115.26 109.98 1uxm n ASN 26 Ca -0.04 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.18 1uxm n ASN 26 Cb 0.28 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.50 1uxm n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1uxm s GLY 27 N 0.00 -0.35 0.49 7.41 0.00 -1.03 -4.99 107.32 108.85 1uxm s GLY 27 Ca 0.00 1.16 -0.22 0.00 0.00 0.00 0.00 44.72 45.66 1uxm s GLY 27 CO 0.00 0.36 1.22 2.56 0.00 0.00 0.00 173.10 177.23 1uxm s PRO 28 N -2.63 3.56 -0.21 2.90 0.04 -1.26 -4.82 135.00 132.58 1uxm s PRO 28 Ca 0.10 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1uxm s PRO 28 Cb 0.00 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1uxm s PRO 28 CO -0.05 -0.75 -0.02 0.08 0.04 0.00 0.00 177.00 176.30 1uxm s VAL 29 N -1.49 3.65 0.05 -0.36 1.01 0.06 -4.32 120.40 119.00 1uxm s VAL 29 Ca 0.66 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1uxm s VAL 29 Cb -0.32 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1uxm s VAL 29 CO 0.38 0.42 0.66 -0.54 0.00 0.00 0.00 175.10 176.02 1uxm s LYS 30 N 1.27 4.38 -0.08 2.72 1.02 0.19 -1.34 119.74 127.90 1uxm s LYS 30 Ca 0.03 0.89 0.02 0.00 0.02 0.00 0.00 55.97 56.93 1uxm s LYS 30 Cb -0.14 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1uxm s LYS 30 CO -0.00 0.42 -0.12 0.14 -0.92 0.00 0.00 175.35 174.86 1uxm s VAL 31 N -0.44 1.21 0.01 3.17 -7.23 0.97 -0.59 120.40 117.49 1uxm s VAL 31 Ca 0.33 -0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 1uxm s VAL 31 Cb -0.20 -1.12 0.07 0.00 0.56 0.00 0.00 36.38 35.69 1uxm s VAL 31 CO 0.20 0.38 0.64 -1.66 -0.31 0.00 0.00 175.10 174.35 1uxm s TRP 32 N 0.86 -0.61 -5.00 2.82 -2.14 -0.47 -0.29 118.94 114.11 1uxm s TRP 32 Ca -0.11 0.86 0.00 0.00 2.66 0.00 0.00 56.10 59.52 1uxm s TRP 32 Cb -0.15 0.44 0.00 0.00 -3.10 0.00 0.00 33.47 30.66 1uxm s TRP 32 CO 0.01 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 174.04 1uxm n GLY 33 N 0.54 -0.75 3.09 3.67 0.00 -0.48 -0.41 105.19 110.84 1uxm n GLY 33 Ca -0.18 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 1uxm n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxm s SER 34 N -4.00 1.68 -0.08 1.61 0.01 -0.97 -0.24 113.70 111.70 1uxm s SER 34 Ca 0.00 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.02 1uxm s SER 34 Cb 0.00 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1uxm s SER 34 CO 0.00 0.14 -0.16 -0.63 0.41 0.00 0.00 173.24 173.00 1uxm s ILE 35 N -0.08 1.46 0.43 1.44 1.01 0.08 -1.97 121.20 123.57 1uxm s ILE 35 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1uxm s ILE 35 Cb -0.08 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1uxm s ILE 35 CO 0.00 0.43 0.14 -1.59 0.00 0.00 0.00 174.94 173.92 1uxm s LYS 36 N 0.58 2.16 0.00 2.79 -2.85 0.39 -0.12 119.74 122.69 1uxm s LYS 36 Ca -0.15 -1.99 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1uxm s LYS 36 Cb -0.16 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1uxm s LYS 36 CO 0.05 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.74 1uxm n GLY 37 N -1.22 0.52 3.92 0.59 0.00 -0.98 -2.21 105.19 105.82 1uxm n GLY 37 Ca -0.04 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 4.16 0.34 0.99 2.01 -0.76 -4.25 118.68 121.17 1uxm s LEU 38 Ca 0.00 0.50 -0.28 0.00 0.01 0.00 0.00 54.13 54.36 1uxm s LEU 38 Cb 0.00 -3.29 -0.10 0.00 0.01 0.00 0.00 46.19 42.82 1uxm s LEU 38 CO 0.00 -0.11 1.23 0.42 1.01 0.00 0.00 176.35 178.91 1uxm s THR 39 N -1.97 2.96 0.26 5.49 -4.23 -1.26 -4.19 115.64 112.71 1uxm s THR 39 Ca 0.40 0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 61.54 1uxm s THR 39 Cb -0.11 -3.58 -0.14 0.00 1.34 0.00 0.00 72.50 70.02 1uxm s THR 39 CO 0.30 0.19 1.25 1.21 -0.54 0.00 0.00 174.62 177.03 1uxm n GLU 40 N 0.70 1.74 0.00 3.99 2.13 -1.26 -4.60 120.64 123.33 1uxm n GLU 40 Ca 0.01 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1uxm n GLU 40 Cb 0.43 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1uxm n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uxm n GLY 41 N 1.62 0.14 3.74 8.31 0.00 0.13 -4.89 105.19 114.23 1uxm n GLY 41 Ca 0.10 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 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 4.39 -0.03 0.99 1.02 -1.26 0.10 118.68 123.89 1uxm s LEU 42 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 54.13 55.39 1uxm s LEU 42 Cb 0.00 -3.04 0.02 0.00 0.02 0.00 0.00 46.19 43.19 1uxm s LEU 42 CO 0.00 0.00 -0.03 -1.00 0.02 0.00 0.00 176.35 175.34 1uxm s HIS 43 N 0.20 0.56 0.32 0.29 3.76 0.12 -3.13 115.29 117.41 1uxm s HIS 43 Ca 0.35 -0.12 -0.28 0.00 -0.15 0.00 0.00 55.06 54.85 1uxm s HIS 43 Cb -0.18 -0.51 -0.13 0.00 1.11 0.00 0.00 32.58 32.87 1uxm s HIS 43 CO 0.19 -0.13 1.28 0.41 -0.85 0.00 0.00 174.74 175.64 1uxm n GLY 44 N 3.81 0.55 2.69 -2.22 0.00 -0.29 -0.72 105.19 109.00 1uxm n GLY 44 Ca -0.23 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.95 -0.14 0.05 1.61 5.36 -0.53 -0.51 117.98 122.88 1uxm s PHE 45 Ca 0.57 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 1uxm s PHE 45 Cb -0.59 -0.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 1uxm s PHE 45 CO 0.60 -0.72 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.59 1uxm s HIS 46 N 2.26 0.57 -0.26 10.12 3.76 -0.88 -2.47 115.29 128.39 1uxm s HIS 46 Ca 0.07 -0.83 -0.13 0.00 -0.15 0.00 0.00 55.06 54.03 1uxm s HIS 46 Cb -0.15 -0.37 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1uxm s HIS 46 CO -0.22 -0.24 0.28 0.08 -0.85 0.00 0.00 174.74 173.79 1uxm s VAL 47 N -2.91 5.25 0.29 -0.90 1.01 -0.38 -0.34 120.40 122.42 1uxm s VAL 47 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1uxm s VAL 47 Cb 0.01 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1uxm s VAL 47 CO -0.05 0.23 0.51 -1.00 0.00 0.00 0.00 175.10 174.79 1uxm s HIS 48 N 1.74 3.49 0.16 5.22 3.76 0.15 -1.67 115.29 128.13 1uxm s HIS 48 Ca 0.12 0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 55.31 1uxm s HIS 48 Cb -0.15 -1.95 0.03 0.00 1.11 0.00 0.00 32.58 31.62 1uxm s HIS 48 CO 0.09 0.20 1.80 1.49 -0.85 0.00 0.00 174.74 177.47 1uxm h GLU 49 N 1.34 0.60 -6.01 1.40 4.81 -0.73 -2.55 114.58 113.44 1uxm h GLU 49 Ca -0.49 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.02 1uxm h GLU 49 Cb 1.20 -0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.31 1uxm h GLU 49 CO 0.64 0.42 -0.63 -0.06 -0.73 0.00 0.00 179.01 178.66 1uxm s PHE 50 N -6.06 3.15 -0.59 0.92 0.08 -0.14 -4.62 117.98 110.72 1uxm s PHE 50 Ca -0.13 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 1uxm s PHE 50 Cb 0.11 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1uxm s PHE 50 CO 0.73 0.47 2.90 0.41 -0.10 0.00 0.00 175.22 179.63 1uxm n GLY 51 N 1.99 4.21 3.07 4.36 0.00 -0.96 -3.50 105.19 114.36 1uxm n GLY 51 Ca -0.18 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 0.82 4.20 -0.07 1.61 -1.08 -1.26 -4.96 116.67 115.93 1uxm s ASP 52 Ca 0.60 -1.27 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 1uxm s ASP 52 Cb 0.32 -1.50 0.51 0.00 -1.46 0.00 0.00 42.92 40.79 1uxm s ASP 52 CO -0.14 -0.17 1.43 -3.20 0.52 0.00 0.00 175.17 173.61 1uxm n ASN 53 N 4.48 3.78 -0.05 -0.34 4.05 -1.26 -2.93 115.26 122.98 1uxm n ASN 53 Ca -0.15 -2.31 0.07 0.00 0.45 0.00 0.00 54.58 52.64 1uxm n ASN 53 Cb 0.43 -0.42 0.44 0.00 1.23 0.00 0.00 39.78 41.46 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 2.90 1.03 -2.25 -0.44 1.35 -1.92 -2.89 112.91 110.68 1uxm h THR 54 Ca 0.00 -0.18 -0.58 0.00 -0.55 0.00 0.00 66.41 65.10 1uxm h THR 54 Cb 1.11 0.44 -0.42 0.00 -1.73 0.00 0.00 68.15 67.55 1uxm h THR 54 CO 0.11 0.10 -0.72 0.00 -0.25 0.00 0.00 175.52 174.76 1uxm n ALA 55 N -2.49 4.29 -0.81 6.62 0.00 -1.26 -5.05 120.51 121.81 1uxm n ALA 55 Ca 0.06 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 48.97 1uxm n ALA 55 Cb 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.13 1.69 0.13 0.00 0.00 -1.09 -2.83 105.19 102.96 1uxm n GLY 56 Ca 0.30 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.21 0.00 0.00 2.02 -1.87 -2.56 112.91 111.72 1uxm h THR 58 Ca 0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1uxm h THR 58 Cb 0.82 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1uxm h THR 58 CO 0.00 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1uxm n SER 59 N -4.36 0.00 0.13 4.18 3.41 -1.22 -2.64 113.62 113.12 1uxm n SER 59 Ca 0.07 -0.60 0.12 0.00 -0.26 0.00 0.00 58.87 58.20 1uxm n SER 59 Cb 0.10 -0.10 0.49 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.10 1.73 -0.29 7.33 0.00 -0.96 -4.52 120.51 122.71 1uxm n ALA 60 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1uxm n ALA 60 Cb 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.15 -0.42 1.89 0.00 0.00 -1.08 -0.97 105.19 104.77 1uxm n GLY 61 Ca 0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.25 -2.24 1.61 -0.04 -1.26 -4.64 135.00 128.18 1uxm n PRO 62 Ca 0.00 -1.15 -0.41 0.00 -0.04 0.00 0.00 63.50 61.91 1uxm n PRO 62 Cb 0.00 -0.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 1uxm n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uxm s HIS 63 N -1.98 3.23 -0.03 0.54 3.76 -1.26 -0.46 115.29 119.09 1uxm s HIS 63 Ca 0.35 1.48 -0.33 0.00 -0.15 0.00 0.00 55.06 56.42 1uxm s HIS 63 Cb -0.01 -3.55 -0.11 0.00 1.11 0.00 0.00 32.58 30.02 1uxm s HIS 63 CO 0.24 -1.46 1.91 0.34 -0.85 0.00 0.00 174.74 174.92 1uxm n PHE 64 N 1.10 2.41 -2.95 1.40 7.35 -0.67 -4.46 117.46 121.64 1uxm n PHE 64 Ca 0.00 -0.14 -0.14 0.00 -0.76 0.00 0.00 57.45 56.42 1uxm n PHE 64 Cb 0.43 -2.71 0.02 0.00 0.35 0.00 0.00 39.48 37.56 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 6.83 -1.13 0.10 -2.13 5.15 -1.26 -1.44 115.26 121.38 1uxm n ASN 65 Ca 0.21 -3.24 0.10 0.00 -0.60 0.00 0.00 54.58 51.05 1uxm n ASN 65 Cb 0.34 0.74 0.43 0.00 -0.53 0.00 0.00 39.78 40.75 1uxm n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1uxm n PRO 66 N 0.80 0.13 -0.01 1.20 -0.04 -1.26 -1.53 135.00 134.30 1uxm n PRO 66 Ca 0.15 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1uxm n PRO 66 Cb 0.64 -1.78 0.26 0.00 -0.04 0.00 0.00 33.50 32.58 1uxm n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1uxm n LEU 67 N -2.02 2.46 -3.68 1.53 4.77 -1.26 -4.98 117.00 113.82 1uxm n LEU 67 Ca 0.02 -0.83 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 1uxm n LEU 67 Cb 0.16 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1uxm n LEU 67 CO 0.15 0.42 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.37 1uxm n SER 68 N 0.92 -1.30 -4.96 -1.43 7.64 -0.58 -5.00 113.62 108.91 1uxm n SER 68 Ca 0.16 -0.80 -0.21 0.00 1.01 0.00 0.00 58.87 59.03 1uxm n SER 68 Cb 0.51 -4.14 0.01 0.00 -1.01 0.00 0.00 64.21 59.59 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 -5.95 2.47 0.57 1.43 0.52 -1.26 -5.13 118.95 111.60 1uxm s ARG 69 Ca 0.02 -1.60 -0.06 0.00 -0.52 0.00 0.00 55.73 53.57 1uxm s ARG 69 Cb -0.01 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 1uxm s ARG 69 CO 0.81 -0.51 0.88 0.15 0.02 0.00 0.00 175.30 176.65 1uxm s LYS 70 N -4.38 3.08 0.35 3.54 1.02 -1.26 -4.75 119.74 117.34 1uxm s LYS 70 Ca 0.51 0.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.29 1uxm s LYS 70 Cb -0.05 -2.29 -0.11 0.00 -0.52 0.00 0.00 37.83 34.87 1uxm s LYS 70 CO 0.31 -0.59 1.38 -1.58 -0.92 0.00 0.00 175.35 173.95 1uxm s HIS 71 N -2.95 2.86 0.15 3.18 5.65 -0.19 -3.25 115.29 120.75 1uxm s HIS 71 Ca 0.53 1.32 -0.00 0.00 0.25 0.00 0.00 55.06 57.15 1uxm s HIS 71 Cb -0.10 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.48 1uxm s HIS 71 CO 0.45 -2.31 0.20 0.41 -0.65 0.00 0.00 174.74 172.84 1uxm n GLY 72 N 0.66 2.83 3.97 1.59 0.00 -1.24 -4.35 105.19 108.65 1uxm n GLY 72 Ca 0.00 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.96 1.80 0.55 -0.02 0.00 -1.23 -4.66 107.32 101.79 1uxm s GLY 73 Ca 0.13 -1.34 0.31 0.00 0.00 0.00 0.00 44.72 43.82 1uxm s GLY 73 CO 0.10 -1.00 2.10 -0.56 0.00 0.00 0.00 173.10 173.74 1uxm h PRO 74 N -0.11 0.00 0.00 2.90 0.13 -1.86 -1.59 132.00 131.48 1uxm h PRO 74 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1uxm h PRO 74 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uxm h PRO 74 CO 0.51 0.08 -0.18 1.63 -0.23 0.00 0.00 178.00 179.81 1uxm n LYS 75 N -3.47 0.04 -2.82 0.86 4.76 -1.26 -4.87 118.16 111.40 1uxm n LYS 75 Ca -0.02 0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.06 1uxm n LYS 75 Cb 0.23 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 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 -3.22 7.49 0.09 4.39 1.01 -0.60 -4.96 116.67 120.88 1uxm s ASP 76 Ca 0.12 1.83 -0.20 0.00 0.71 0.00 0.00 52.55 55.01 1uxm s ASP 76 Cb 0.18 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 1uxm s ASP 76 CO 0.60 0.11 1.61 -0.08 0.21 0.00 0.00 175.17 177.62 1uxm h GLU 77 N 3.91 0.28 -6.17 8.23 4.57 -1.89 -3.36 114.58 120.15 1uxm h GLU 77 Ca -0.46 -0.06 -0.56 0.00 -1.18 0.00 0.00 59.36 57.10 1uxm h GLU 77 Cb 1.20 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.65 1uxm h GLU 77 CO 0.67 0.37 1.06 -2.00 -1.18 0.00 0.00 179.01 177.93 1uxm s GLU 78 N -5.47 3.25 0.19 1.92 2.56 -1.26 -4.91 118.70 114.98 1uxm s GLU 78 Ca -0.14 -0.49 -0.23 0.00 0.00 0.00 0.00 54.97 54.11 1uxm s GLU 78 Cb 0.07 -4.39 0.05 0.00 2.00 0.00 0.00 34.13 31.86 1uxm s GLU 78 CO 0.71 -2.11 0.69 -0.98 -0.56 0.00 0.00 175.26 173.01 1uxm s ARG 79 N 5.33 1.41 0.46 4.30 1.04 -1.20 -3.58 118.95 126.71 1uxm s ARG 79 Ca 0.35 -0.65 -0.16 0.00 -1.04 0.00 0.00 55.73 54.24 1uxm s ARG 79 Cb -0.08 0.57 -0.08 0.00 -2.04 0.00 0.00 34.95 33.32 1uxm s ARG 79 CO 0.10 -0.63 0.91 -1.01 -0.04 0.00 0.00 175.30 174.62 1uxm s HIS 80 N -3.73 3.43 0.30 5.89 3.76 -1.21 -4.67 115.29 119.06 1uxm s HIS 80 Ca 0.06 1.36 0.02 0.00 -0.15 0.00 0.00 55.06 56.35 1uxm s HIS 80 Cb -0.03 -2.69 0.58 0.00 1.11 0.00 0.00 32.58 31.55 1uxm s HIS 80 CO -0.05 -0.23 1.86 0.28 -0.85 0.00 0.00 174.74 175.76 1uxm h VAL 81 N 1.19 0.95 0.00 -0.90 2.07 -1.85 -1.45 116.25 116.26 1uxm h VAL 81 Ca -0.47 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1uxm h VAL 81 Cb 1.18 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1uxm h VAL 81 CO 0.62 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1uxm n GLY 82 N -1.37 -0.77 3.48 2.17 0.00 -0.52 -4.19 105.19 103.98 1uxm n GLY 82 Ca 0.17 -0.08 -0.43 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 -1.61 6.44 0.00 1.61 1.01 -0.55 -1.25 116.67 122.32 1uxm s ASP 83 Ca 0.18 -1.52 0.16 0.00 0.71 0.00 0.00 52.55 52.08 1uxm s ASP 83 Cb 0.08 -2.45 0.45 0.00 1.01 0.00 0.00 42.92 42.02 1uxm s ASP 83 CO 0.14 -1.32 1.37 0.18 0.21 0.00 0.00 175.17 175.76 1uxm n LEU 84 N 7.56 2.50 0.00 1.23 4.77 -1.03 -3.49 117.00 128.54 1uxm n LEU 84 Ca 0.17 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1uxm n LEU 84 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1uxm n LEU 84 CO 0.59 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1uxm n GLY 85 N 1.26 0.51 3.54 -0.72 0.00 -1.20 -4.76 105.19 103.81 1uxm n GLY 85 Ca 0.16 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 4.00 0.19 1.61 0.01 -1.26 -1.46 114.94 114.03 1uxm s ASN 86 Ca 0.00 -0.81 0.11 0.00 -0.71 0.00 0.00 52.86 51.45 1uxm s ASN 86 Cb 0.00 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.07 1uxm s ASN 86 CO 0.00 0.05 -0.20 0.68 -1.51 0.00 0.00 177.10 176.12 1uxm s VAL 87 N -2.21 2.60 -0.16 1.60 -7.23 0.10 -4.91 120.40 110.18 1uxm s VAL 87 Ca 0.28 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1uxm s VAL 87 Cb -0.06 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 1uxm s VAL 87 CO 0.16 -0.12 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.82 1uxm s THR 88 N -1.70 2.98 -0.01 5.32 2.01 -1.26 -0.71 115.64 122.27 1uxm s THR 88 Ca 0.22 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1uxm s THR 88 Cb -0.08 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1uxm s THR 88 CO 0.11 0.50 0.35 0.00 -0.69 0.00 0.00 174.62 174.89 1uxm s ALA 89 N 0.83 3.74 0.86 7.40 0.00 0.28 -4.23 121.76 130.64 1uxm s ALA 89 Ca -0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1uxm s ALA 89 Cb -0.15 -2.28 0.13 0.00 0.00 0.00 0.00 23.12 20.82 1uxm s ALA 89 CO 0.00 0.53 0.77 -0.40 0.00 0.00 0.00 175.76 176.67 1uxm n ASP 90 N 1.67 0.36 0.02 0.00 5.68 -0.47 0.18 116.55 123.98 1uxm n ASP 90 Ca -0.14 -1.46 0.08 0.00 -0.50 0.00 0.00 54.79 52.77 1uxm n ASP 90 Cb 0.53 -0.56 0.36 0.00 -1.14 0.00 0.00 41.12 40.30 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 -2.57 0.03 0.00 0.11 -0.00 -1.26 -0.35 118.16 114.11 1uxm n LYS 91 Ca 0.11 0.26 0.13 0.00 -0.00 0.00 0.00 58.31 58.80 1uxm n LYS 91 Cb 0.37 -1.55 0.36 0.00 -0.00 0.00 0.00 35.03 34.21 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 -1.61 0.53 0.00 -5.58 8.00 -1.26 -4.91 116.55 111.72 1uxm n ASP 92 Ca 0.04 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1uxm n ASP 92 Cb 0.19 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.45 0.74 3.32 0.44 0.00 0.53 -4.73 105.19 106.94 1uxm n GLY 93 Ca 0.08 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 3.33 -0.32 1.61 1.01 -1.25 -1.83 120.40 120.94 1uxm s VAL 94 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1uxm s VAL 94 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1uxm s VAL 94 CO 0.00 0.44 0.28 0.00 0.00 0.00 0.00 175.10 175.82 1uxm s ALA 95 N 1.30 3.51 -0.65 5.51 0.00 0.83 -1.37 121.76 130.89 1uxm s ALA 95 Ca 0.04 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1uxm s ALA 95 Cb -0.14 -2.69 0.15 0.00 0.00 0.00 0.00 23.12 20.44 1uxm s ALA 95 CO -0.02 -0.90 0.65 -0.51 0.00 0.00 0.00 175.76 174.98 1uxm s ASP 96 N 1.73 6.37 0.16 0.00 -0.00 -1.26 -0.74 116.67 122.93 1uxm s ASP 96 Ca 0.09 -1.99 -0.30 0.00 -0.00 0.00 0.00 52.55 50.35 1uxm s ASP 96 Cb -0.17 -2.24 -0.07 0.00 -0.00 0.00 0.00 42.92 40.44 1uxm s ASP 96 CO 0.11 -0.84 0.97 -0.69 -0.00 0.00 0.00 175.17 174.71 1uxm s VAL 97 N 1.48 4.31 -0.27 -1.27 1.01 0.66 -4.91 120.40 121.41 1uxm s VAL 97 Ca 0.11 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.11 1uxm s VAL 97 Cb -0.22 -4.30 0.16 0.00 0.00 0.00 0.00 36.38 32.03 1uxm s VAL 97 CO -0.00 0.37 0.48 -0.55 0.00 0.00 0.00 175.10 175.39 1uxm s SER 98 N -0.36 -0.45 0.03 3.32 0.15 -1.25 -1.39 113.70 113.76 1uxm s SER 98 Ca 0.45 0.31 0.02 0.00 0.70 0.00 0.00 55.95 57.43 1uxm s SER 98 Cb -0.25 1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 65.59 1uxm s SER 98 CO 0.31 -0.30 -0.07 -0.63 1.20 0.00 0.00 173.24 173.76 1uxm s ILE 99 N 2.67 0.44 -0.07 6.45 1.01 0.61 -5.01 121.20 127.29 1uxm s ILE 99 Ca 0.14 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1uxm s ILE 99 Cb -0.14 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1uxm s ILE 99 CO -0.21 -0.37 -0.17 -0.70 0.00 0.00 0.00 174.94 173.49 1uxm s GLU 100 N -1.45 2.16 -0.04 2.79 2.12 -1.26 -0.02 118.70 122.99 1uxm s GLU 100 Ca -0.10 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 1uxm s GLU 100 Cb -0.09 -1.71 0.02 0.00 0.26 0.00 0.00 34.13 32.60 1uxm s GLU 100 CO 0.00 0.10 0.10 0.34 -0.54 0.00 0.00 175.26 175.25 1uxm s ASP 101 N 0.51 -0.07 -0.13 -1.70 2.15 -0.45 -4.97 116.67 112.01 1uxm s ASP 101 Ca -0.15 0.19 0.15 0.00 0.43 0.00 0.00 52.55 53.17 1uxm s ASP 101 Cb -0.16 0.14 0.40 0.00 -0.30 0.00 0.00 42.92 42.99 1uxm s ASP 101 CO 0.05 -0.09 1.30 -1.54 -0.17 0.00 0.00 175.17 174.73 1uxm n SER 102 N 3.64 3.23 -0.10 -0.34 3.41 -1.26 -0.76 113.62 121.43 1uxm n SER 102 Ca -0.20 -2.82 -0.17 0.00 -0.26 0.00 0.00 58.87 55.42 1uxm n SER 102 Cb 0.55 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1uxm n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uxm n VAL 103 N -0.60 1.50 -1.07 -3.33 0.31 -1.26 -4.88 118.33 109.00 1uxm n VAL 103 Ca 0.17 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 64.12 1uxm n VAL 103 Cb 0.72 -2.15 0.10 0.00 -0.91 0.00 0.00 33.84 31.59 1uxm n VAL 103 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1uxm n ILE 104 N -4.42 1.14 -3.86 2.52 -5.35 -1.26 -4.86 119.36 103.27 1uxm n ILE 104 Ca -0.29 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 61.80 1uxm n ILE 104 Cb 0.61 -0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 37.69 1uxm n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1uxm s SER 105 N -1.75 0.11 -0.17 7.28 0.15 -0.90 -4.72 113.70 113.69 1uxm s SER 105 Ca 0.63 -0.60 0.12 0.00 0.70 0.00 0.00 55.95 56.80 1uxm s SER 105 Cb -0.29 0.32 0.65 0.00 -1.71 0.00 0.00 66.02 64.99 1uxm s SER 105 CO 0.61 -0.68 1.49 0.18 1.20 0.00 0.00 173.24 176.04 1uxm n LEU 106 N 0.12 4.64 -3.71 3.45 4.77 -1.26 -1.04 117.00 123.97 1uxm n LEU 106 Ca -0.16 -2.35 -0.04 0.00 -0.03 0.00 0.00 56.01 53.43 1uxm n LEU 106 Cb 0.62 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1uxm n LEU 106 CO 0.23 0.58 0.74 -0.94 -1.33 0.00 0.00 177.39 176.66 1uxm s SER 107 N -0.66 -0.19 0.18 -1.43 1.04 -1.26 -3.51 113.70 107.87 1uxm s SER 107 Ca 0.43 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1uxm s SER 107 Cb 0.32 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1uxm s SER 107 CO 0.14 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1uxm n GLY 108 N -0.44 -1.42 0.26 7.32 0.00 -1.26 -3.45 105.19 106.19 1uxm n GLY 108 Ca -0.07 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.56 1.61 3.32 -2.01 -2.17 116.42 116.61 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 0.13 0.00 1.41 -1.72 0.00 0.00 179.24 179.06 1uxm n HIS 110 N -3.84 1.82 -1.72 4.55 8.25 -1.26 -4.95 115.22 118.08 1uxm n HIS 110 Ca -0.02 -0.65 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 1uxm n HIS 110 Cb 0.23 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 3.33 0.00 -1.86 0.00 -5.35 -0.21 -4.90 119.36 110.38 1uxm n ILE 112 Ca 0.14 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.71 1uxm n ILE 112 Cb 0.34 1.36 -0.03 0.00 -1.74 0.00 0.00 39.64 39.57 1uxm n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1uxm s ILE 113 N -1.49 2.62 0.00 7.28 1.01 -1.26 -1.51 121.20 127.85 1uxm s ILE 113 Ca 0.20 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1uxm s ILE 113 Cb 0.15 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1uxm s ILE 113 CO 0.23 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1uxm n GLY 114 N 3.95 0.79 1.60 6.18 0.00 0.42 -5.00 105.19 113.12 1uxm n GLY 114 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.11 0.61 -5.04 1.61 1.74 -0.57 -2.26 116.66 110.65 1uxm n ARG 115 Ca 0.00 -1.21 -0.32 0.00 -0.77 0.00 0.00 57.85 55.55 1uxm n ARG 115 Cb 0.00 -0.18 -0.16 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.77 2.51 -0.07 0.55 2.01 -0.96 -0.87 115.64 118.03 1uxm s THR 116 Ca 0.26 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 61.18 1uxm s THR 116 Cb -0.02 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1uxm s THR 116 CO 0.17 0.55 0.61 -0.22 -0.69 0.00 0.00 174.62 175.04 1uxm s LEU 117 N 0.17 4.33 0.01 4.42 2.96 -0.42 0.31 118.68 130.46 1uxm s LEU 117 Ca -0.11 1.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 1uxm s LEU 117 Cb -0.16 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1uxm s LEU 117 CO 0.06 -0.04 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.19 1uxm s VAL 118 N 0.54 1.41 -0.11 1.68 1.01 0.53 -2.11 120.40 123.35 1uxm s VAL 118 Ca 0.33 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1uxm s VAL 118 Cb -0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1uxm s VAL 118 CO 0.16 0.27 -0.17 0.54 0.00 0.00 0.00 175.10 175.89 1uxm s VAL 119 N -0.60 2.73 0.38 2.92 0.11 -0.43 -2.07 120.40 123.44 1uxm s VAL 119 Ca 0.06 -0.79 0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1uxm s VAL 119 Cb -0.07 -2.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1uxm s VAL 119 CO 0.00 0.54 0.37 -1.00 -3.33 0.00 0.00 175.10 171.68 1uxm s HIS 120 N 0.21 2.83 0.27 1.54 3.76 0.34 -1.23 115.29 123.01 1uxm s HIS 120 Ca -0.10 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1uxm s HIS 120 Cb -0.16 -2.02 0.38 0.00 1.11 0.00 0.00 32.58 31.89 1uxm s HIS 120 CO 0.06 -0.01 1.75 1.49 -0.85 0.00 0.00 174.74 177.18 1uxm h GLU 121 N 1.07 0.65 -4.95 1.40 4.81 -0.69 -3.38 114.58 113.50 1uxm h GLU 121 Ca -0.43 -0.20 -0.51 0.00 -0.13 0.00 0.00 59.36 58.09 1uxm h GLU 121 Cb 1.26 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 1uxm h GLU 121 CO 0.56 0.74 -0.50 0.15 -0.73 0.00 0.00 179.01 179.24 1uxm s LYS 122 N -4.79 1.83 0.44 1.92 1.02 -0.21 -4.93 119.74 115.02 1uxm s LYS 122 Ca -0.08 -2.09 -0.24 0.00 0.02 0.00 0.00 55.97 53.57 1uxm s LYS 122 Cb 0.14 -0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.31 1uxm s LYS 122 CO 0.80 -0.58 1.20 0.00 -0.92 0.00 0.00 175.35 175.85 1uxm s ALA 123 N -3.35 3.07 -0.18 5.17 0.00 -1.18 -1.14 121.76 124.15 1uxm s ALA 123 Ca 0.33 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 53.02 1uxm s ALA 123 Cb 0.02 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1uxm s ALA 123 CO 0.22 -0.68 0.99 0.34 0.00 0.00 0.00 175.76 176.63 1uxm s ASP 124 N -1.16 7.12 0.00 0.00 -1.08 -1.26 -3.80 116.67 116.49 1uxm s ASP 124 Ca 0.61 1.39 0.10 0.00 -0.52 0.00 0.00 52.55 54.13 1uxm s ASP 124 Cb -0.31 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.15 1uxm s ASP 124 CO 0.39 -0.54 1.35 -0.90 0.52 0.00 0.00 175.17 175.99 1uxm n ASP 125 N 5.68 0.26 -2.20 -0.34 5.68 0.30 -4.88 116.55 121.05 1uxm n ASP 125 Ca 0.09 -1.74 -0.19 0.00 -0.50 0.00 0.00 54.79 52.46 1uxm n ASP 125 Cb 0.47 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.48 -1.68 0.00 -2.12 4.77 -1.26 -1.88 117.00 114.35 1uxm n LEU 126 Ca 0.08 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1uxm n LEU 126 Cb 0.07 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 1uxm n LEU 126 CO 0.06 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1uxm n GLY 127 N -0.82 0.46 0.76 -0.72 0.00 -1.26 -3.50 105.19 100.11 1uxm n GLY 127 Ca -0.22 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.92 2.86 0.10 1.61 5.02 -0.79 -4.67 118.16 119.37 1uxm n LYS 128 Ca 0.00 -2.55 0.13 0.00 -2.02 0.00 0.00 58.31 53.87 1uxm n LYS 128 Cb 0.00 -1.63 0.41 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.22 -1.70 1.76 0.72 0.00 -1.26 -4.94 105.19 99.55 1uxm n GLY 129 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 1.28 0.55 3.33 -0.02 0.00 -1.26 -4.98 105.19 104.08 1uxm n GLY 130 Ca 0.06 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.13 1.58 0.21 1.61 2.20 -1.26 -5.05 114.94 112.10 1uxm s ASN 131 Ca 0.00 -1.30 -0.10 0.00 -0.94 0.00 0.00 52.86 50.52 1uxm s ASN 131 Cb 0.00 0.07 0.17 0.00 -2.00 0.00 0.00 41.25 39.49 1uxm s ASN 131 CO 0.00 -0.62 1.88 -0.08 -2.94 0.00 0.00 177.10 175.34 1uxm h GLU 132 N 2.41 1.00 -0.41 3.55 4.81 -2.00 -2.43 114.58 121.51 1uxm h GLU 132 Ca -0.38 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1uxm h GLU 132 Cb 1.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1uxm h GLU 132 CO 0.64 0.66 0.23 1.49 -0.73 0.00 0.00 179.01 181.30 1uxm h GLU 133 N 1.03 0.56 -0.63 1.92 4.57 -2.00 -2.11 114.58 117.93 1uxm h GLU 133 Ca 0.28 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 1uxm h GLU 133 Cb -0.11 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.31 1uxm h GLU 133 CO -0.07 0.41 0.36 1.03 -1.18 0.00 0.00 179.01 179.56 1uxm h SER 134 N 0.57 0.54 0.00 1.04 0.87 -1.77 0.99 113.55 115.78 1uxm h SER 134 Ca 0.15 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1uxm h SER 134 Cb 0.01 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1uxm h SER 134 CO -0.03 0.36 0.00 0.35 -0.53 0.00 0.00 176.83 176.98 1uxm n THR 135 N -4.79 0.00 -0.02 2.23 -2.24 -0.80 -1.63 114.28 107.03 1uxm n THR 135 Ca 0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1uxm n THR 135 Cb 0.15 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -0.99 0.22 0.00 -0.78 5.02 -0.39 -1.03 118.16 120.22 1uxm n LYS 136 Ca 0.18 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1uxm n LYS 136 Cb 0.08 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -3.79 0.00 -1.02 -0.18 -2.24 0.20 -4.64 114.28 102.61 1uxm n THR 137 Ca -0.10 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1uxm n THR 137 Cb 0.33 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.53 0.42 2.40 3.38 0.00 -0.65 -3.39 105.19 107.88 1uxm n GLY 138 Ca 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.09 -5.80 0.00 1.61 3.02 -1.25 -0.54 115.26 112.21 1uxm n ASN 139 Ca -0.01 -0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1uxm n ASN 139 Cb 0.14 -4.81 0.60 0.00 -0.61 0.00 0.00 39.78 35.10 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 2.22 -0.03 5.41 0.00 -1.22 -4.73 120.51 120.15 1uxm n ALA 140 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1uxm n ALA 140 Cb 0.68 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.83 -0.65 3.75 0.00 0.00 -1.26 -1.05 105.19 106.80 1uxm n GLY 141 Ca 0.11 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1uxm n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxm s SER 142 N -4.00 4.11 -0.44 1.61 1.04 -1.26 -4.64 113.70 110.12 1uxm s SER 142 Ca 0.00 1.77 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 1uxm s SER 142 Cb 0.00 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.71 1uxm s SER 142 CO 0.00 -2.28 0.52 -0.13 0.98 0.00 0.00 173.24 172.33 1uxm s ARG 143 N -4.89 3.14 0.11 4.02 0.52 -1.26 -0.57 118.95 120.02 1uxm s ARG 143 Ca 0.62 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1uxm s ARG 143 Cb -0.18 -3.99 -0.17 0.00 0.52 0.00 0.00 34.95 31.13 1uxm s ARG 143 CO 0.56 -0.96 1.25 -0.07 0.02 0.00 0.00 175.30 176.10 1uxm h LEU 144 N 9.32 0.32 -7.00 2.53 3.38 -1.47 -3.47 115.31 118.92 1uxm h LEU 144 Ca -0.26 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.43 1uxm h LEU 144 Cb 1.10 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.55 1uxm h LEU 144 CO 0.85 1.18 0.41 0.00 0.09 0.00 0.00 178.44 180.98 1uxm s ALA 145 N -2.89 -1.86 0.26 1.53 0.00 -1.19 -3.90 121.76 113.72 1uxm s ALA 145 Ca -0.03 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 1uxm s ALA 145 Cb 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1uxm s ALA 145 CO 0.86 -0.39 0.60 0.00 0.00 0.00 0.00 175.76 176.83 1uxm s GLY 147 N -2.96 -0.44 0.17 0.00 0.00 -0.90 -1.38 107.32 101.81 1uxm s GLY 147 Ca 0.16 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 1uxm s GLY 147 CO 0.07 0.14 0.81 0.14 0.00 0.00 0.00 173.10 174.27 1uxm s VAL 148 N -3.57 4.34 -0.27 1.40 1.01 -1.26 -1.30 120.40 120.75 1uxm s VAL 148 Ca 0.05 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.54 1uxm s VAL 148 Cb -0.02 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1uxm s VAL 148 CO -0.07 0.50 0.97 -0.63 0.00 0.00 0.00 175.10 175.87 1uxm s ILE 149 N -1.05 4.68 0.28 2.22 1.01 -0.05 -4.43 121.20 123.85 1uxm s ILE 149 Ca 0.37 1.70 0.08 0.00 0.00 0.00 0.00 60.65 62.81 1uxm s ILE 149 Cb -0.24 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 1uxm s ILE 149 CO 0.27 -0.26 -0.10 -0.83 0.00 0.00 0.00 174.94 174.02 1uxm s GLY 150 N 1.44 1.82 0.01 6.18 0.00 0.58 -0.44 107.32 116.91 1uxm s GLY 150 Ca 0.41 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.94 1uxm s GLY 150 CO 0.10 -1.88 1.16 -0.42 0.00 0.00 0.00 173.10 172.07 1uxm s ILE 151 N -2.86 4.25 0.28 0.90 1.01 -1.26 -0.60 121.20 122.93 1uxm s ILE 151 Ca 0.29 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.61 1uxm s ILE 151 Cb 0.01 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1uxm s ILE 151 CO 0.12 0.08 0.20 0.00 0.00 0.00 0.00 174.94 175.34 1uxm s ALA 152 N 1.48 3.61 -2.00 9.38 0.00 0.06 -4.79 121.76 129.50 1uxm s ALA 152 Ca 0.57 -1.54 0.23 0.00 0.00 0.00 0.00 51.96 51.22 1uxm s ALA 152 Cb -0.26 -1.17 1.40 0.00 0.00 0.00 0.00 23.12 23.09 1uxm s ALA 152 CO 0.26 0.17 1.77 0.94 0.00 0.00 0.00 175.76 178.90