#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 0.31 -3.57 0.00 -1.04 -1.26 -4.57 114.28 104.16 1uxm n THR 2 Ca 0.00 0.30 -0.21 0.00 -2.04 0.00 0.00 64.05 62.10 1uxm n THR 2 Cb 0.00 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 -1.35 2.51 -0.05 -2.82 1.02 -1.26 -1.91 119.74 115.88 1uxm s LYS 3 Ca -0.04 -1.57 -0.30 0.00 0.02 0.00 0.00 55.97 54.07 1uxm s LYS 3 Cb 0.01 -2.37 0.11 0.00 -0.52 0.00 0.00 37.83 35.06 1uxm s LYS 3 CO 0.06 -0.25 0.99 0.08 -0.92 0.00 0.00 175.35 175.31 1uxm s VAL 4 N -2.50 0.00 -0.02 3.17 1.01 -0.70 -3.97 120.40 117.39 1uxm s VAL 4 Ca 0.48 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 1uxm s VAL 4 Cb -0.03 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1uxm s VAL 4 CO 0.28 0.00 0.42 0.54 0.00 0.00 0.00 175.10 176.34 1uxm s VAL 5 N -2.92 0.04 -0.03 2.92 0.11 0.11 -1.26 120.40 119.37 1uxm s VAL 5 Ca 0.07 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1uxm s VAL 5 Cb -0.01 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1uxm s VAL 5 CO -0.07 -0.19 0.07 0.00 -3.33 0.00 0.00 175.10 171.58 1uxm s VAL 7 N 0.59 4.58 -0.18 0.00 1.01 -1.26 -1.70 120.40 123.44 1uxm s VAL 7 Ca -0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1uxm s VAL 7 Cb -0.07 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1uxm s VAL 7 CO -0.02 0.31 0.66 -0.76 0.00 0.00 0.00 175.10 175.29 1uxm s LEU 8 N 1.65 4.17 0.04 3.92 1.02 0.37 -3.50 118.68 126.35 1uxm s LEU 8 Ca 0.07 0.92 -0.08 0.00 0.02 0.00 0.00 54.13 55.06 1uxm s LEU 8 Cb -0.15 -2.95 -0.00 0.00 0.02 0.00 0.00 46.19 43.10 1uxm s LEU 8 CO 0.06 -0.26 0.15 -0.54 0.02 0.00 0.00 176.35 175.77 1uxm s LYS 9 N 1.77 0.63 0.00 1.70 1.02 1.44 -1.15 119.74 125.16 1uxm s LYS 9 Ca 0.31 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1uxm s LYS 9 Cb -0.16 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1uxm s LYS 9 CO 0.11 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1uxm n GLY 10 N 0.77 3.39 1.15 -3.33 0.00 -1.25 0.10 105.19 106.02 1uxm n GLY 10 Ca -0.19 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.03 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 3.34 0.00 1.61 8.00 -1.25 -4.92 116.55 123.33 1uxm n ASP 11 Ca 0.00 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1uxm n ASP 11 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 0.85 5.28 0.01 0.44 0.00 -1.26 -5.04 105.19 105.47 1uxm n GLY 12 Ca 0.17 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 0.16 -2.44 1.61 -0.05 -1.26 -4.84 135.00 128.17 1uxm n PRO 13 Ca 0.00 -0.03 -0.42 0.00 -0.05 0.00 0.00 63.50 63.00 1uxm n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 31.92 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 -2.86 4.10 -0.10 0.52 1.01 -1.26 -4.39 120.40 117.42 1uxm s VAL 14 Ca 0.18 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.53 1uxm s VAL 14 Cb 0.19 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1uxm s VAL 14 CO 0.54 0.11 0.34 0.00 0.00 0.00 0.00 175.10 176.09 1uxm s GLN 15 N 1.10 0.49 0.19 2.72 -2.07 -1.05 -3.96 119.66 117.08 1uxm s GLN 15 Ca 0.58 0.29 -0.24 0.00 -1.82 0.00 0.00 55.36 54.17 1uxm s GLN 15 Cb -0.29 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 31.91 1uxm s GLN 15 CO 0.29 -0.09 0.81 0.20 -1.32 0.00 0.00 175.29 175.18 1uxm s GLY 16 N -0.27 -0.25 -0.03 2.60 0.00 -0.30 -1.47 107.32 107.61 1uxm s GLY 16 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1uxm s GLY 16 CO 0.02 0.02 0.01 -0.42 0.00 0.00 0.00 173.10 172.72 1uxm s ILE 17 N -3.57 0.13 -0.11 0.90 1.01 -0.64 0.14 121.20 119.05 1uxm s ILE 17 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1uxm s ILE 17 Cb -0.03 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.23 1uxm s ILE 17 CO 0.01 0.13 -0.11 -0.63 0.00 0.00 0.00 174.94 174.35 1uxm s ILE 18 N 1.02 1.19 -0.02 2.92 -1.09 -0.69 -1.98 121.20 122.56 1uxm s ILE 18 Ca -0.10 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 1uxm s ILE 18 Cb -0.13 -1.15 -0.05 0.00 -1.58 0.00 0.00 42.46 39.55 1uxm s ILE 18 CO -0.02 0.39 0.30 0.20 -1.23 0.00 0.00 174.94 174.58 1uxm s ASN 19 N 1.31 6.60 0.04 3.58 -0.87 0.21 -1.33 114.94 124.48 1uxm s ASN 19 Ca -0.02 0.71 0.06 0.00 -1.57 0.00 0.00 52.86 52.05 1uxm s ASN 19 Cb -0.14 -2.15 -0.02 0.00 -0.02 0.00 0.00 41.25 38.92 1uxm s ASN 19 CO -0.05 0.31 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.26 1uxm s PHE 20 N -1.16 1.54 -0.13 2.20 0.40 -0.39 -1.01 117.98 119.43 1uxm s PHE 20 Ca 0.23 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1uxm s PHE 20 Cb -0.14 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.51 1uxm s PHE 20 CO 0.12 0.06 0.33 -2.00 0.70 0.00 0.00 175.22 174.43 1uxm s GLU 21 N -1.14 0.34 -0.43 0.44 2.12 -0.84 -1.72 118.70 117.47 1uxm s GLU 21 Ca 0.05 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.96 1uxm s GLU 21 Cb -0.08 0.06 0.16 0.00 0.26 0.00 0.00 34.13 34.53 1uxm s GLU 21 CO 0.01 -0.10 0.32 -1.14 -0.54 0.00 0.00 175.26 173.82 1uxm s GLN 22 N 0.73 1.03 0.40 4.30 0.74 -0.80 -0.12 119.66 125.93 1uxm s GLN 22 Ca -0.05 -2.08 0.12 0.00 0.05 0.00 0.00 55.36 53.40 1uxm s GLN 22 Cb -0.06 -1.67 0.40 0.00 1.10 0.00 0.00 33.01 32.78 1uxm s GLN 22 CO -0.05 -1.33 0.77 1.63 -0.55 0.00 0.00 175.29 175.77 1uxm n LYS 23 N 3.04 0.01 -3.61 1.67 5.02 -1.26 -4.63 118.16 118.40 1uxm n LYS 23 Ca 0.24 0.64 0.04 0.00 -2.02 0.00 0.00 58.31 57.21 1uxm n LYS 23 Cb 0.43 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.37 0.03 1.10 1.97 2.02 -1.26 -5.08 118.70 114.11 1uxm s GLU 24 Ca -0.01 -0.02 -0.16 0.00 0.02 0.00 0.00 54.97 54.80 1uxm s GLU 24 Cb 0.06 0.01 0.20 0.00 0.10 0.00 0.00 34.13 34.50 1uxm s GLU 24 CO 0.20 -0.01 0.37 -1.13 0.02 0.00 0.00 175.26 174.72 1uxm n SER 25 N -0.56 -3.08 0.00 -0.19 3.41 -1.26 -2.03 113.62 109.91 1uxm n SER 25 Ca -0.08 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1uxm n SER 25 Cb 0.63 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1uxm n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uxm n ASN 26 N -2.11 0.00 -4.79 4.04 4.13 -1.26 -4.77 115.26 110.50 1uxm n ASN 26 Ca 0.06 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.98 1uxm n ASN 26 Cb 0.43 -0.08 -0.02 0.00 -1.54 0.00 0.00 39.78 38.57 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 -0.17 2.49 0.39 7.41 0.00 -0.86 -4.96 107.32 111.62 1uxm s GLY 27 Ca 0.00 0.64 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 1uxm s GLY 27 CO 0.00 0.97 1.17 -1.05 0.00 0.00 0.00 173.10 174.19 1uxm n PRO 28 N -1.23 1.74 -3.52 2.90 -0.02 -1.26 -4.79 135.00 128.81 1uxm n PRO 28 Ca 0.10 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1uxm n PRO 28 Cb 0.52 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1uxm n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uxm s VAL 29 N -1.19 5.27 -0.74 -1.45 1.01 0.19 -4.44 120.40 119.05 1uxm s VAL 29 Ca 0.60 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1uxm s VAL 29 Cb -0.55 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1uxm s VAL 29 CO 0.59 0.15 1.12 -0.54 0.00 0.00 0.00 175.10 176.42 1uxm s LYS 30 N 1.83 3.22 -0.29 2.72 1.02 0.82 -2.00 119.74 127.06 1uxm s LYS 30 Ca 0.09 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 1uxm s LYS 30 Cb -0.16 -4.37 -0.04 0.00 -0.52 0.00 0.00 37.83 32.74 1uxm s LYS 30 CO 0.11 -1.96 0.20 0.54 -0.92 0.00 0.00 175.35 173.33 1uxm s VAL 31 N 4.57 5.30 0.06 3.17 0.11 -0.76 -1.98 120.40 130.87 1uxm s VAL 31 Ca 0.29 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1uxm s VAL 31 Cb -0.11 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 1uxm s VAL 31 CO 0.08 0.20 -0.07 -1.66 -3.33 0.00 0.00 175.10 170.32 1uxm s TRP 32 N 1.76 0.70 -5.00 1.54 -2.14 -0.18 -0.90 118.94 114.72 1uxm s TRP 32 Ca 0.07 -0.64 0.00 0.00 2.66 0.00 0.00 56.10 58.19 1uxm s TRP 32 Cb -0.16 -0.42 0.00 0.00 -3.10 0.00 0.00 33.47 29.79 1uxm s TRP 32 CO 0.11 -0.12 0.00 0.41 -2.66 0.00 0.00 176.95 174.69 1uxm n GLY 33 N 1.00 -0.41 3.22 3.67 0.00 -0.89 0.67 105.19 112.45 1uxm n GLY 33 Ca -0.20 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.10 -0.02 1.61 0.15 -0.84 -0.59 113.70 109.91 1uxm s SER 34 Ca 0.00 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.55 1uxm s SER 34 Cb 0.00 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1uxm s SER 34 CO 0.00 -0.52 -0.11 -0.63 1.20 0.00 0.00 173.24 173.18 1uxm s ILE 35 N -1.99 0.92 0.23 6.45 1.01 -0.18 -1.62 121.20 126.01 1uxm s ILE 35 Ca -0.09 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.16 1uxm s ILE 35 Cb -0.03 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1uxm s ILE 35 CO -0.00 0.27 -0.10 -0.54 0.00 0.00 0.00 174.94 174.57 1uxm s LYS 36 N -0.06 1.40 0.00 2.79 1.02 -0.54 -0.53 119.74 123.82 1uxm s LYS 36 Ca 0.01 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.33 1uxm s LYS 36 Cb -0.07 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 1uxm s LYS 36 CO 0.00 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1uxm n GLY 37 N -0.45 0.67 3.83 -3.33 0.00 -0.41 -2.51 105.19 102.98 1uxm n GLY 37 Ca -0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 4.01 0.11 0.99 2.01 -0.56 -4.46 118.68 120.78 1uxm s LEU 38 Ca 0.00 1.57 -0.30 0.00 0.01 0.00 0.00 54.13 55.41 1uxm s LEU 38 Cb 0.00 -4.35 -0.06 0.00 0.01 0.00 0.00 46.19 41.79 1uxm s LEU 38 CO 0.00 -0.29 0.99 0.42 1.01 0.00 0.00 176.35 178.48 1uxm s THR 39 N -2.07 4.45 0.23 5.49 -4.23 -1.26 -4.00 115.64 114.25 1uxm s THR 39 Ca 0.58 2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 62.79 1uxm s THR 39 Cb -0.10 -4.28 -0.14 0.00 1.34 0.00 0.00 72.50 69.32 1uxm s THR 39 CO 0.15 0.29 1.23 1.21 -0.54 0.00 0.00 174.62 176.97 1uxm n GLU 40 N 2.87 1.59 0.00 3.99 2.13 -1.26 -4.69 120.64 125.28 1uxm n GLU 40 Ca 0.03 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1uxm n GLU 40 Cb 0.49 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 1.83 0.74 3.92 8.31 0.00 -1.08 -4.98 105.19 113.93 1uxm n GLY 41 Ca 0.12 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 4.24 -0.09 0.99 2.01 -1.26 -1.71 118.68 122.86 1uxm s LEU 42 Ca 0.00 0.41 -0.04 0.00 0.01 0.00 0.00 54.13 54.51 1uxm s LEU 42 Cb 0.00 -3.17 0.05 0.00 0.01 0.00 0.00 46.19 43.08 1uxm s LEU 42 CO 0.00 -0.02 0.17 -1.00 1.01 0.00 0.00 176.35 176.51 1uxm s HIS 43 N -1.83 -0.21 0.74 0.29 3.76 -1.08 -2.84 115.29 114.12 1uxm s HIS 43 Ca 0.38 0.65 -0.16 0.00 -0.15 0.00 0.00 55.06 55.78 1uxm s HIS 43 Cb -0.11 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 1uxm s HIS 43 CO 0.28 -0.27 0.50 0.41 -0.85 0.00 0.00 174.74 174.81 1uxm n GLY 44 N 5.18 -1.62 3.06 -2.22 0.00 -0.48 -2.89 105.19 106.21 1uxm n GLY 44 Ca -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.95 -1.35 0.06 1.61 5.36 0.01 -1.03 117.98 120.69 1uxm s PHE 45 Ca 0.64 1.23 -0.05 0.00 -0.96 0.00 0.00 56.93 57.80 1uxm s PHE 45 Cb -0.34 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1uxm s PHE 45 CO 0.59 -0.87 0.08 -1.01 -1.46 0.00 0.00 175.22 172.55 1uxm s HIS 46 N 2.73 0.29 -0.32 10.12 3.76 -1.11 -2.61 115.29 128.14 1uxm s HIS 46 Ca 0.16 -0.70 -0.18 0.00 -0.15 0.00 0.00 55.06 54.18 1uxm s HIS 46 Cb -0.14 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1uxm s HIS 46 CO -0.21 -0.42 0.52 0.08 -0.85 0.00 0.00 174.74 173.86 1uxm s VAL 47 N -3.37 5.03 0.43 -0.90 1.01 -0.19 -1.18 120.40 121.22 1uxm s VAL 47 Ca 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1uxm s VAL 47 Cb 0.03 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1uxm s VAL 47 CO -0.08 -0.11 0.67 -1.00 0.00 0.00 0.00 175.10 174.57 1uxm s HIS 48 N 2.38 3.39 0.10 5.22 3.76 0.55 -1.41 115.29 129.28 1uxm s HIS 48 Ca 0.20 0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 55.33 1uxm s HIS 48 Cb -0.15 -2.19 -0.08 0.00 1.11 0.00 0.00 32.58 31.27 1uxm s HIS 48 CO 0.12 -0.20 1.67 1.49 -0.85 0.00 0.00 174.74 176.97 1uxm h GLU 49 N 0.45 0.31 -6.00 1.40 4.81 -0.57 -2.50 114.58 112.47 1uxm h GLU 49 Ca -0.48 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.03 1uxm h GLU 49 Cb 1.23 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 1uxm h GLU 49 CO 0.60 0.32 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.52 1uxm s PHE 50 N -5.72 3.16 -0.56 0.92 0.08 -0.16 -4.63 117.98 111.07 1uxm s PHE 50 Ca -0.13 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 1uxm s PHE 50 Cb 0.08 -1.77 0.15 0.00 -0.57 0.00 0.00 43.02 40.91 1uxm s PHE 50 CO 0.71 0.48 2.54 0.41 -0.10 0.00 0.00 175.22 179.26 1uxm n GLY 51 N 1.93 4.67 3.33 4.36 0.00 -1.08 -3.66 105.19 114.75 1uxm n GLY 51 Ca -0.18 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.06 4.88 -0.23 1.61 -1.08 -1.26 -4.96 116.67 115.57 1uxm s ASP 52 Ca 0.56 -0.62 0.11 0.00 -0.52 0.00 0.00 52.55 52.09 1uxm s ASP 52 Cb 0.40 -1.83 0.44 0.00 -1.46 0.00 0.00 42.92 40.46 1uxm s ASP 52 CO -0.26 -0.13 1.29 -3.20 0.52 0.00 0.00 175.17 173.38 1uxm n ASN 53 N 4.83 1.97 0.22 -0.34 2.85 -1.26 -3.38 115.26 120.15 1uxm n ASN 53 Ca -0.16 -3.82 0.06 0.00 -0.11 0.00 0.00 54.58 50.55 1uxm n ASN 53 Cb 0.49 -0.55 0.49 0.00 1.24 0.00 0.00 39.78 41.45 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 0.96 1.07 -2.08 -0.44 1.35 -1.93 -3.29 112.91 108.55 1uxm h THR 54 Ca 0.06 -0.83 -0.55 0.00 -0.55 0.00 0.00 66.41 64.54 1uxm h THR 54 Cb 1.18 1.46 -0.40 0.00 -1.73 0.00 0.00 68.15 68.66 1uxm h THR 54 CO 0.11 0.23 -0.96 0.00 -0.25 0.00 0.00 175.52 174.64 1uxm n ALA 55 N -2.45 2.96 -0.85 6.62 0.00 -1.26 -5.06 120.51 120.47 1uxm n ALA 55 Ca -0.02 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1uxm n ALA 55 Cb 0.30 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.78 2.83 0.06 0.00 0.00 -1.24 -2.38 105.19 105.24 1uxm n GLY 56 Ca 0.25 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.31 1.30 0.00 0.00 2.02 -1.83 -2.77 112.91 111.95 1uxm h THR 58 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1uxm h THR 58 Cb 0.46 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1uxm h THR 58 CO 0.00 0.55 0.00 -1.54 0.37 0.00 0.00 175.52 174.90 1uxm n SER 59 N -3.99 0.00 0.18 4.18 3.41 -1.24 -2.25 113.62 113.91 1uxm n SER 59 Ca -0.03 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1uxm n SER 59 Cb 0.60 -0.49 0.65 0.00 -0.26 0.00 0.00 64.21 64.71 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 2.46 1.00 -1.09 7.33 0.00 -1.50 -3.42 119.26 124.04 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uxm h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uxm n GLY 61 N -1.28 -1.25 0.08 0.00 0.00 -0.96 -0.99 105.19 100.80 1uxm n GLY 61 Ca -0.02 -1.16 -0.01 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 -1.02 -0.02 -2.09 1.61 -0.04 -1.26 -4.53 135.00 127.65 1uxm n PRO 62 Ca 0.00 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1uxm n PRO 62 Cb 0.00 -0.03 -0.02 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.05 3.06 0.02 0.54 3.76 -1.26 -0.25 115.29 120.10 1uxm s HIS 63 Ca 0.02 1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 55.89 1uxm s HIS 63 Cb -0.00 -3.72 -0.09 0.00 1.11 0.00 0.00 32.58 29.88 1uxm s HIS 63 CO 0.01 -2.13 1.98 0.34 -0.85 0.00 0.00 174.74 174.09 1uxm n PHE 64 N 1.51 2.48 -3.01 1.40 7.35 -0.50 -4.45 117.46 122.24 1uxm n PHE 64 Ca 0.03 -0.34 -0.15 0.00 -0.76 0.00 0.00 57.45 56.23 1uxm n PHE 64 Cb 0.41 -2.79 0.01 0.00 0.35 0.00 0.00 39.48 37.46 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 7.63 -0.54 0.22 -2.13 5.15 -1.26 -2.63 115.26 121.69 1uxm n ASN 65 Ca 0.21 -3.24 0.15 0.00 -0.60 0.00 0.00 54.58 51.10 1uxm n ASN 65 Cb 0.40 0.41 0.69 0.00 -0.53 0.00 0.00 39.78 40.75 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 3.14 0.00 -0.06 1.20 0.13 -1.95 -1.71 132.00 132.75 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 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1uxm h PRO 66 CO 0.36 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.41 1uxm n LEU 67 N -2.67 1.87 -3.95 1.56 4.77 -1.26 -4.97 117.00 112.35 1uxm n LEU 67 Ca 0.00 -0.66 -0.30 0.00 -0.03 0.00 0.00 56.01 55.02 1uxm n LEU 67 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1uxm n LEU 67 CO 0.21 0.33 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.18 1uxm n SER 68 N 0.46 -1.75 -4.06 -1.43 7.64 -0.64 -4.98 113.62 108.85 1uxm n SER 68 Ca 0.18 -1.08 -0.20 0.00 1.01 0.00 0.00 58.87 58.78 1uxm n SER 68 Cb 0.41 -2.79 -0.01 0.00 -1.01 0.00 0.00 64.21 60.81 1uxm n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uxm n ARG 69 N -4.45 0.92 -3.35 1.43 1.74 -1.26 -5.13 116.66 106.55 1uxm n ARG 69 Ca -0.24 -2.55 -0.22 0.00 -0.77 0.00 0.00 57.85 54.07 1uxm n ARG 69 Cb 0.65 0.33 -0.00 0.00 -1.02 0.00 0.00 32.46 32.42 1uxm n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1uxm s LYS 70 N -3.61 3.26 0.59 5.56 -2.85 -1.26 -4.89 119.74 116.53 1uxm s LYS 70 Ca 0.20 -0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 54.39 1uxm s LYS 70 Cb -0.02 -2.69 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1uxm s LYS 70 CO 0.12 0.03 1.13 -1.58 0.10 0.00 0.00 175.35 175.15 1uxm s HIS 71 N -2.32 2.62 0.00 1.78 5.65 0.42 -3.00 115.29 120.43 1uxm s HIS 71 Ca 0.43 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.29 1uxm s HIS 71 Cb -0.10 -3.27 0.00 0.00 -1.18 0.00 0.00 32.58 28.03 1uxm s HIS 71 CO 0.35 -1.69 0.00 0.41 -0.65 0.00 0.00 174.74 173.16 1uxm n GLY 72 N -0.03 2.29 3.68 1.59 0.00 -1.26 -4.54 105.19 106.92 1uxm n GLY 72 Ca 0.11 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.00 0.51 -0.02 0.00 -1.26 -4.58 107.32 103.97 1uxm s GLY 73 Ca 0.00 -1.89 0.31 0.00 0.00 0.00 0.00 44.72 43.14 1uxm s GLY 73 CO 0.00 -1.83 1.83 -2.55 0.00 0.00 0.00 173.10 170.55 1uxm h PRO 74 N 1.69 0.09 0.00 2.90 0.11 -1.86 -1.17 132.00 133.76 1uxm h PRO 74 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uxm h PRO 74 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uxm h PRO 74 CO 0.65 0.06 -1.04 1.63 -0.21 0.00 0.00 178.00 179.09 1uxm n LYS 75 N -4.30 0.40 -2.22 1.05 4.76 -1.26 -4.90 118.16 111.69 1uxm n LYS 75 Ca 0.23 0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.31 1uxm n LYS 75 Cb 1.07 -1.66 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 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 -4.41 6.56 0.19 4.39 1.01 -0.44 -4.90 116.67 119.06 1uxm s ASP 76 Ca 0.02 2.46 -0.12 0.00 0.71 0.00 0.00 52.55 55.61 1uxm s ASP 76 Cb 0.13 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.53 1uxm s ASP 76 CO 0.79 -0.66 1.84 -0.08 0.21 0.00 0.00 175.17 177.27 1uxm h GLU 77 N 2.83 0.83 -5.80 8.23 4.81 -1.90 -3.36 114.58 120.22 1uxm h GLU 77 Ca -0.49 -0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.06 1uxm h GLU 77 Cb 1.23 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.31 1uxm h GLU 77 CO 0.63 0.57 0.50 -2.00 -0.73 0.00 0.00 179.01 177.98 1uxm s GLU 78 N -6.06 3.34 0.27 1.92 2.56 -1.26 -4.96 118.70 114.50 1uxm s GLU 78 Ca -0.13 -0.27 -0.21 0.00 0.00 0.00 0.00 54.97 54.36 1uxm s GLU 78 Cb 0.13 -4.04 0.02 0.00 2.00 0.00 0.00 34.13 32.25 1uxm s GLU 78 CO 0.76 -1.40 0.71 -0.98 -0.56 0.00 0.00 175.26 173.79 1uxm s ARG 79 N 3.75 1.76 0.22 4.30 1.04 -1.16 -4.08 118.95 124.78 1uxm s ARG 79 Ca 0.29 -0.97 -0.07 0.00 -1.04 0.00 0.00 55.73 53.94 1uxm s ARG 79 Cb -0.13 0.61 -0.06 0.00 -2.04 0.00 0.00 34.95 33.33 1uxm s ARG 79 CO 0.19 -0.81 0.50 -1.01 -0.04 0.00 0.00 175.30 174.14 1uxm s HIS 80 N -3.91 3.45 0.22 5.89 3.76 -1.25 -4.64 115.29 118.81 1uxm s HIS 80 Ca 0.11 0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 55.67 1uxm s HIS 80 Cb -0.06 -2.15 0.18 0.00 1.11 0.00 0.00 32.58 31.66 1uxm s HIS 80 CO 0.06 0.29 1.84 0.28 -0.85 0.00 0.00 174.74 176.36 1uxm h VAL 81 N 1.85 1.24 0.00 -0.90 2.07 -1.91 -0.46 116.25 118.14 1uxm h VAL 81 Ca -0.47 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1uxm h VAL 81 Cb 1.17 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1uxm h VAL 81 CO 0.69 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.16 1uxm n GLY 82 N -1.12 -0.62 3.57 2.17 0.00 -1.08 -4.34 105.19 103.77 1uxm n GLY 82 Ca 0.08 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.13 6.67 0.00 1.61 1.01 -0.18 -1.03 116.67 122.62 1uxm s ASP 83 Ca 0.24 -2.15 0.28 0.00 0.71 0.00 0.00 52.55 51.63 1uxm s ASP 83 Cb 0.12 -2.58 0.99 0.00 1.01 0.00 0.00 42.92 42.46 1uxm s ASP 83 CO 0.22 -1.34 1.71 0.18 0.21 0.00 0.00 175.17 176.14 1uxm n LEU 84 N 8.80 1.60 0.00 1.23 4.77 -1.07 -3.38 117.00 128.95 1uxm n LEU 84 Ca 0.45 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1uxm n LEU 84 Cb 0.47 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1uxm n LEU 84 CO 0.74 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1uxm n GLY 85 N 1.19 1.28 1.87 -0.72 0.00 -1.09 -4.78 105.19 102.93 1uxm n GLY 85 Ca 0.19 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1uxm n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uxm n ASN 86 N 5.88 2.35 -3.61 1.61 3.02 -1.26 -0.81 115.26 122.44 1uxm n ASN 86 Ca 0.00 -2.05 -0.14 0.00 -0.03 0.00 0.00 54.58 52.36 1uxm n ASN 86 Cb 0.00 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1uxm n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1uxm s VAL 87 N -1.68 0.03 -0.01 2.41 -7.23 -1.14 -4.82 120.40 107.96 1uxm s VAL 87 Ca 0.07 -0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.04 1uxm s VAL 87 Cb -0.01 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1uxm s VAL 87 CO 0.04 -0.15 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.54 1uxm s THR 88 N -2.07 2.00 -0.14 5.32 2.01 -1.26 -2.65 115.64 118.85 1uxm s THR 88 Ca -0.07 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 1uxm s THR 88 Cb -0.01 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1uxm s THR 88 CO 0.01 0.53 0.06 0.00 -0.69 0.00 0.00 174.62 174.53 1uxm s ALA 89 N -0.62 3.47 1.00 7.40 0.00 -0.69 -3.91 121.76 128.40 1uxm s ALA 89 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1uxm s ALA 89 Cb -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1uxm s ALA 89 CO -0.01 0.42 0.00 -0.40 0.00 0.00 0.00 175.76 175.77 1uxm n ASP 90 N 2.72 -0.01 0.28 0.00 5.68 -0.92 -2.65 116.55 121.65 1uxm n ASP 90 Ca -0.18 -0.62 0.17 0.00 -0.50 0.00 0.00 54.79 53.66 1uxm n ASP 90 Cb 0.53 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.22 1uxm n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1uxm h LYS 91 N 0.00 0.00 -0.48 0.11 5.09 -1.96 -1.74 116.57 117.58 1uxm h LYS 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1uxm h LYS 91 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1uxm h LYS 91 CO 0.00 0.01 0.00 -0.25 -2.09 0.00 0.00 179.45 177.12 1uxm n ASP 92 N -3.11 2.58 -2.17 7.07 8.00 -1.26 -4.91 116.55 122.75 1uxm n ASP 92 Ca 0.00 -2.01 -0.15 0.00 0.71 0.00 0.00 54.79 53.34 1uxm n ASP 92 Cb 0.30 -0.32 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.24 -0.08 3.15 0.44 0.00 -0.65 -4.69 105.19 104.59 1uxm n GLY 93 Ca 0.16 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.02 2.39 -0.38 1.61 1.01 -1.26 -1.29 120.40 119.45 1uxm s VAL 94 Ca 0.25 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1uxm s VAL 94 Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1uxm s VAL 94 CO 0.31 0.34 0.43 0.00 0.00 0.00 0.00 175.10 176.18 1uxm s ALA 95 N 1.28 3.46 -0.26 5.51 0.00 0.31 -2.16 121.76 129.89 1uxm s ALA 95 Ca 0.01 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 1uxm s ALA 95 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1uxm s ALA 95 CO -0.09 -1.33 0.40 -0.51 0.00 0.00 0.00 175.76 174.24 1uxm s ASP 96 N 1.78 6.30 -0.13 0.00 -0.00 -1.25 -1.01 116.67 122.35 1uxm s ASP 96 Ca 0.14 0.35 -0.06 0.00 -0.00 0.00 0.00 52.55 52.97 1uxm s ASP 96 Cb -0.16 -2.22 -0.04 0.00 -0.00 0.00 0.00 42.92 40.49 1uxm s ASP 96 CO 0.13 -0.19 0.09 -0.69 -0.00 0.00 0.00 175.17 174.51 1uxm s VAL 97 N 2.05 5.09 -0.31 -1.27 1.01 0.24 -4.75 120.40 122.46 1uxm s VAL 97 Ca 0.16 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.25 1uxm s VAL 97 Cb -0.16 -3.22 0.19 0.00 0.00 0.00 0.00 36.38 33.19 1uxm s VAL 97 CO 0.10 0.57 0.54 -0.55 0.00 0.00 0.00 175.10 175.76 1uxm s SER 98 N -0.60 -1.01 0.33 3.32 0.15 -1.23 -2.09 113.70 112.57 1uxm s SER 98 Ca 0.12 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.70 1uxm s SER 98 Cb -0.12 1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 65.87 1uxm s SER 98 CO 0.02 -0.30 0.02 -0.63 1.20 0.00 0.00 173.24 173.55 1uxm s ILE 99 N 2.61 1.48 -0.08 6.45 1.01 -0.08 -4.99 121.20 127.60 1uxm s ILE 99 Ca 0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 60.65 58.69 1uxm s ILE 99 Cb -0.10 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.66 1uxm s ILE 99 CO -0.24 -0.08 0.17 -0.70 0.00 0.00 0.00 174.94 174.09 1uxm s GLU 100 N -3.81 0.08 -0.01 2.79 2.12 -1.26 -1.82 118.70 116.79 1uxm s GLU 100 Ca 0.34 0.48 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 1uxm s GLU 100 Cb 0.08 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1uxm s GLU 100 CO 0.15 -0.23 0.03 0.34 -0.54 0.00 0.00 175.26 175.01 1uxm s ASP 101 N 1.69 -0.01 -0.13 -1.70 2.15 -0.85 -4.91 116.67 112.91 1uxm s ASP 101 Ca -0.04 0.05 0.15 0.00 0.43 0.00 0.00 52.55 53.14 1uxm s ASP 101 Cb -0.12 0.03 0.32 0.00 -0.30 0.00 0.00 42.92 42.85 1uxm s ASP 101 CO -0.06 -0.03 1.16 -1.54 -0.17 0.00 0.00 175.17 174.53 1uxm n SER 102 N 3.28 1.73 -0.13 -0.34 3.41 -1.26 0.56 113.62 120.86 1uxm n SER 102 Ca -0.15 -3.16 -0.28 0.00 -0.26 0.00 0.00 58.87 55.02 1uxm n SER 102 Cb 0.58 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.98 1.46 -1.60 -3.33 0.31 -1.26 -4.94 118.33 107.99 1uxm n VAL 103 Ca 0.14 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 1uxm n VAL 103 Cb 0.71 -1.83 0.05 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.49 4.09 0.24 2.52 -4.36 -1.26 -4.87 121.20 115.07 1uxm s ILE 104 Ca -0.37 0.68 -0.16 0.00 -0.26 0.00 0.00 60.65 60.54 1uxm s ILE 104 Cb 0.14 -3.45 0.01 0.00 1.25 0.00 0.00 42.46 40.41 1uxm s ILE 104 CO 0.48 -0.89 0.54 -0.55 0.24 0.00 0.00 174.94 174.76 1uxm s SER 105 N -3.84 -0.17 -0.10 4.36 0.15 -1.26 -4.66 113.70 108.18 1uxm s SER 105 Ca 0.58 -0.73 0.13 0.00 0.70 0.00 0.00 55.95 56.63 1uxm s SER 105 Cb -0.14 0.62 0.34 0.00 -1.71 0.00 0.00 66.02 65.13 1uxm s SER 105 CO 0.55 -1.16 1.25 0.18 1.20 0.00 0.00 173.24 175.26 1uxm n LEU 106 N -0.39 3.00 -3.93 3.45 4.77 -1.26 -1.54 117.00 121.10 1uxm n LEU 106 Ca -0.05 -2.65 -0.10 0.00 -0.03 0.00 0.00 56.01 53.18 1uxm n LEU 106 Cb 0.61 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1uxm n LEU 106 CO 0.19 0.67 0.34 -0.94 -1.33 0.00 0.00 177.39 176.32 1uxm s SER 107 N -1.82 0.13 0.82 -1.43 1.04 -1.26 -1.86 113.70 109.32 1uxm s SER 107 Ca 0.29 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1uxm s SER 107 Cb 0.22 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1uxm s SER 107 CO 0.08 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1uxm n GLY 108 N -0.48 0.54 0.17 7.32 0.00 -1.26 -3.36 105.19 108.12 1uxm n GLY 108 Ca -0.04 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 1.04 0.00 -0.08 1.61 3.58 -2.00 -2.83 116.42 117.74 1uxm h ASP 109 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1uxm h ASP 109 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1uxm h ASP 109 CO 0.00 0.42 0.00 1.41 -2.88 0.00 0.00 179.24 178.19 1uxm n HIS 110 N -3.44 0.08 -1.24 0.28 8.25 -1.26 -4.96 115.22 112.93 1uxm n HIS 110 Ca 0.00 -0.04 -0.48 0.00 -0.26 0.00 0.00 57.72 56.95 1uxm n HIS 110 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 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 1.04 0.13 -1.68 0.00 -5.35 -0.59 -4.94 119.36 107.97 1uxm n ILE 112 Ca 0.16 -0.56 -0.45 0.00 -0.27 0.00 0.00 62.75 61.63 1uxm n ILE 112 Cb 0.09 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 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 1.13 0.84 -1.02 7.28 5.41 -1.26 -2.30 119.36 129.44 1uxm n ILE 113 Ca 0.13 -0.21 -0.01 0.00 1.00 0.00 0.00 62.75 63.66 1uxm n ILE 113 Cb 0.50 -1.53 -0.00 0.00 -0.71 0.00 0.00 39.64 37.90 1uxm n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uxm n GLY 114 N 2.31 0.48 1.72 7.39 0.00 0.52 -4.93 105.19 112.68 1uxm n GLY 114 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.58 1.01 -4.42 1.61 1.74 -0.97 -2.64 116.66 110.40 1uxm n ARG 115 Ca -0.01 -1.49 -0.33 0.00 -0.77 0.00 0.00 57.85 55.26 1uxm n ARG 115 Cb 0.07 0.06 -0.16 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.99 2.05 -0.02 0.55 2.01 -0.94 -0.69 115.64 117.61 1uxm s THR 116 Ca 0.19 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 1uxm s THR 116 Cb -0.02 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1uxm s THR 116 CO 0.12 0.54 0.66 -0.22 -0.69 0.00 0.00 174.62 175.04 1uxm s LEU 117 N 1.03 4.38 -0.04 4.42 2.96 -0.57 0.20 118.68 131.06 1uxm s LEU 117 Ca -0.02 1.21 0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1uxm s LEU 117 Cb -0.14 -3.04 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 1uxm s LEU 117 CO -0.07 -0.00 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.11 1uxm s VAL 118 N 0.25 1.28 -0.19 1.68 1.01 -0.32 -2.06 120.40 122.05 1uxm s VAL 118 Ca 0.35 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1uxm s VAL 118 Cb -0.18 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1uxm s VAL 118 CO 0.18 0.37 0.12 0.54 0.00 0.00 0.00 175.10 176.32 1uxm s VAL 119 N 0.06 5.31 0.30 2.92 0.11 -0.15 -2.76 120.40 126.19 1uxm s VAL 119 Ca -0.03 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1uxm s VAL 119 Cb -0.11 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 1uxm s VAL 119 CO 0.02 0.45 0.46 -1.00 -3.33 0.00 0.00 175.10 171.70 1uxm s HIS 120 N 0.30 3.46 0.09 1.54 3.76 -0.20 -0.15 115.29 124.09 1uxm s HIS 120 Ca 0.07 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.94 1uxm s HIS 120 Cb -0.11 -1.75 -0.08 0.00 1.11 0.00 0.00 32.58 31.75 1uxm s HIS 120 CO -0.01 0.26 1.60 1.49 -0.85 0.00 0.00 174.74 177.22 1uxm h GLU 121 N 0.95 0.37 0.00 1.40 4.81 0.37 -3.39 114.58 119.09 1uxm h GLU 121 Ca -0.51 -0.08 -0.34 0.00 -0.13 0.00 0.00 59.36 58.30 1uxm h GLU 121 Cb 1.23 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1uxm h GLU 121 CO 0.61 0.46 -0.24 1.63 -0.73 0.00 0.00 179.01 180.74 1uxm n LYS 122 N -4.75 1.33 -2.51 1.92 5.02 0.38 -4.90 118.16 114.66 1uxm n LYS 122 Ca -0.03 -1.92 -0.34 0.00 -2.02 0.00 0.00 58.31 53.99 1uxm n LYS 122 Cb 0.16 0.49 -0.03 0.00 -0.02 0.00 0.00 35.03 35.63 1uxm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uxm s ALA 123 N -2.45 2.88 -0.17 7.82 0.00 -1.13 -1.38 121.76 127.32 1uxm s ALA 123 Ca 0.01 0.55 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 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 0.01 -0.33 0.91 0.34 0.00 0.00 0.00 175.76 176.69 1uxm s ASP 124 N -2.13 7.04 0.00 0.00 -1.08 -1.26 -3.89 116.67 115.35 1uxm s ASP 124 Ca 0.66 1.28 0.07 0.00 -0.52 0.00 0.00 52.55 54.04 1uxm s ASP 124 Cb -0.15 -2.49 0.37 0.00 -1.46 0.00 0.00 42.92 39.18 1uxm s ASP 124 CO 0.22 -0.47 1.25 -0.90 0.52 0.00 0.00 175.17 175.78 1uxm n ASP 125 N 5.46 0.31 -2.25 -0.34 5.68 0.34 -4.89 116.55 120.86 1uxm n ASP 125 Ca 0.07 -1.83 -0.17 0.00 -0.50 0.00 0.00 54.79 52.35 1uxm n ASP 125 Cb 0.48 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.41 -1.55 0.00 -2.12 4.77 -1.26 -1.32 117.00 115.11 1uxm n LEU 126 Ca 0.06 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1uxm n LEU 126 Cb 0.07 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1uxm n LEU 126 CO 0.04 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 1uxm n GLY 127 N -0.82 0.49 0.51 -0.72 0.00 -1.25 -4.14 105.19 99.27 1uxm n GLY 127 Ca -0.20 -0.76 0.09 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 -2.85 2.14 0.17 1.61 5.02 -0.43 -4.68 118.16 119.13 1uxm n LYS 128 Ca 0.00 -2.73 0.05 0.00 -2.02 0.00 0.00 58.31 53.62 1uxm n LYS 128 Cb 0.00 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 33.43 1uxm n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1uxm h GLY 129 N 0.95 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 99.36 1uxm h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uxm h GLY 129 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1uxm n GLY 130 N 1.09 1.03 3.36 4.60 0.00 -1.26 -5.04 105.19 108.97 1uxm n GLY 130 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.33 0.04 0.35 1.61 2.20 -1.26 -5.06 114.94 110.50 1uxm s ASN 131 Ca 0.00 -0.95 0.04 0.00 -0.94 0.00 0.00 52.86 51.02 1uxm s ASN 131 Cb 0.00 0.45 0.65 0.00 -2.00 0.00 0.00 41.25 40.36 1uxm s ASN 131 CO 0.00 -0.92 1.93 -0.08 -2.94 0.00 0.00 177.10 175.09 1uxm h GLU 132 N 2.51 0.58 -0.10 3.55 4.81 -1.99 -0.74 114.58 123.21 1uxm h GLU 132 Ca -0.31 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1uxm h GLU 132 Cb 1.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1uxm h GLU 132 CO 0.47 0.52 -0.30 1.49 -0.73 0.00 0.00 179.01 180.46 1uxm h GLU 133 N 0.58 0.19 -0.78 1.92 4.57 -2.00 -2.25 114.58 116.81 1uxm h GLU 133 Ca 0.14 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1uxm h GLU 133 Cb 0.18 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 1uxm h GLU 133 CO -0.01 0.48 0.34 1.03 -1.18 0.00 0.00 179.01 179.67 1uxm h SER 134 N 0.17 1.05 0.53 1.04 0.87 -1.48 0.22 113.55 115.94 1uxm h SER 134 Ca 0.02 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1uxm h SER 134 Cb 0.62 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1uxm h SER 134 CO 0.04 0.91 0.00 0.35 -0.53 0.00 0.00 176.83 177.60 1uxm n THR 135 N -4.30 0.11 -0.06 2.23 -2.24 -0.87 -1.45 114.28 107.70 1uxm n THR 135 Ca 0.07 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1uxm n THR 135 Cb 0.16 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.29 0.25 0.00 -0.78 5.02 -0.79 -0.44 118.16 120.13 1uxm n LYS 136 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1uxm n LYS 136 Cb 0.22 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -3.29 0.24 -1.18 -0.18 -2.24 0.69 -4.64 114.28 103.69 1uxm n THR 137 Ca -0.21 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 60.94 1uxm n THR 137 Cb 0.67 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.12 0.62 2.46 3.38 0.00 -0.53 -2.70 105.19 108.31 1uxm n GLY 138 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.00 -5.61 0.00 1.61 3.02 -1.24 -0.50 115.26 111.54 1uxm n ASN 139 Ca -0.06 -0.06 0.10 0.00 -0.03 0.00 0.00 54.58 54.52 1uxm n ASN 139 Cb 0.52 -4.61 0.46 0.00 -0.61 0.00 0.00 39.78 35.54 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 -2.19 1.97 -0.65 5.41 0.00 -1.10 -4.77 120.51 119.19 1uxm n ALA 140 Ca -0.21 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1uxm n ALA 140 Cb 0.66 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.45 1.32 3.63 0.00 0.00 -1.26 -0.47 105.19 108.86 1uxm n GLY 141 Ca 0.07 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 0.29 0.88 -4.56 1.61 7.64 -1.26 -4.59 113.62 113.63 1uxm n SER 142 Ca 0.00 0.76 -0.42 0.00 1.01 0.00 0.00 58.87 60.22 1uxm n SER 142 Cb 0.00 -1.42 -0.06 0.00 -1.01 0.00 0.00 64.21 61.71 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 -3.07 3.61 -0.02 1.43 0.52 -1.26 0.60 118.95 120.75 1uxm s ARG 143 Ca 0.77 -0.00 -0.13 0.00 -0.52 0.00 0.00 55.73 55.84 1uxm s ARG 143 Cb -0.38 -3.84 -0.33 0.00 0.52 0.00 0.00 34.95 30.92 1uxm s ARG 143 CO 0.46 -0.81 0.80 -0.07 0.02 0.00 0.00 175.30 175.71 1uxm h LEU 144 N 9.49 0.71 -7.15 2.53 3.38 -0.83 -3.47 115.31 119.97 1uxm h LEU 144 Ca -0.26 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 56.73 1uxm h LEU 144 Cb 1.11 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.47 1uxm h LEU 144 CO 0.86 1.76 0.08 0.00 0.09 0.00 0.00 178.44 181.23 1uxm s ALA 145 N -2.58 -1.40 0.00 1.53 0.00 -1.13 -3.84 121.76 114.34 1uxm s ALA 145 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1uxm s ALA 145 Cb 0.05 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1uxm s ALA 145 CO 0.89 -0.55 0.00 0.00 0.00 0.00 0.00 175.76 176.10 1uxm n GLY 147 N 0.00 2.15 3.81 0.00 0.00 -0.87 0.42 105.19 110.71 1uxm n GLY 147 Ca 0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1uxm n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uxm s VAL 148 N -2.00 4.37 -0.21 1.61 1.01 -1.26 -1.51 120.40 122.40 1uxm s VAL 148 Ca 0.00 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.42 1uxm s VAL 148 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1uxm s VAL 148 CO 0.00 -0.24 0.13 -0.63 0.00 0.00 0.00 175.10 174.37 1uxm s ILE 149 N -2.08 5.28 0.27 2.22 1.01 0.13 -4.07 121.20 123.97 1uxm s ILE 149 Ca 0.60 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1uxm s ILE 149 Cb -0.11 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1uxm s ILE 149 CO 0.15 0.40 0.25 -0.83 0.00 0.00 0.00 174.94 174.91 1uxm s GLY 150 N 0.66 1.70 0.00 6.18 0.00 0.79 0.19 107.32 116.85 1uxm s GLY 150 Ca 0.07 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.74 1uxm s GLY 150 CO 0.01 -1.32 1.26 -0.42 0.00 0.00 0.00 173.10 172.64 1uxm s ILE 151 N -3.76 3.99 0.28 0.90 1.01 -1.26 0.06 121.20 122.42 1uxm s ILE 151 Ca 0.37 1.37 0.08 0.00 0.00 0.00 0.00 60.65 62.48 1uxm s ILE 151 Cb 0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1uxm s ILE 151 CO 0.18 0.04 0.14 0.00 0.00 0.00 0.00 174.94 175.30 1uxm s ALA 152 N 1.85 3.47 -2.00 9.38 0.00 -1.25 -4.80 121.76 128.41 1uxm s ALA 152 Ca 0.59 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1uxm s ALA 152 Cb -0.29 -1.03 0.48 0.00 0.00 0.00 0.00 23.12 22.28 1uxm s ALA 152 CO 0.26 0.19 0.94 0.94 0.00 0.00 0.00 175.76 178.09