#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 0.34 -5.10 0.00 -1.04 -1.26 -4.74 114.28 102.48 1uxm n THR 2 Ca 0.00 0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 1uxm n THR 2 Cb 0.00 -1.25 -0.16 0.00 -1.82 0.00 0.00 70.33 67.10 1uxm n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1uxm s LYS 3 N -2.00 2.38 0.10 -2.82 1.02 -1.26 -0.72 119.74 116.44 1uxm s LYS 3 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1uxm s LYS 3 Cb 0.00 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1uxm s LYS 3 CO 0.00 0.29 0.00 0.14 -0.92 0.00 0.00 175.35 174.86 1uxm s VAL 4 N 0.03 0.27 0.02 3.17 -7.23 -0.41 -1.24 120.40 115.02 1uxm s VAL 4 Ca -0.07 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 1uxm s VAL 4 Cb -0.14 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.01 1uxm s VAL 4 CO 0.04 -0.72 0.33 0.54 -0.31 0.00 0.00 175.10 174.98 1uxm s VAL 5 N -3.91 0.07 -0.09 1.32 0.11 -0.17 -0.97 120.40 116.76 1uxm s VAL 5 Ca 0.16 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1uxm s VAL 5 Cb 0.07 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1uxm s VAL 5 CO -0.03 -0.32 0.21 0.00 -3.33 0.00 0.00 175.10 171.63 1uxm s VAL 7 N 0.96 4.16 -0.15 0.00 1.01 -1.26 -1.02 120.40 124.10 1uxm s VAL 7 Ca -0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1uxm s VAL 7 Cb -0.09 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1uxm s VAL 7 CO -0.06 0.14 0.65 -0.76 0.00 0.00 0.00 175.10 175.08 1uxm s LEU 8 N 1.55 4.21 0.04 3.92 1.02 -0.39 -3.70 118.68 125.33 1uxm s LEU 8 Ca 0.04 0.97 -0.02 0.00 0.02 0.00 0.00 54.13 55.13 1uxm s LEU 8 Cb -0.17 -2.96 -0.02 0.00 0.02 0.00 0.00 46.19 43.06 1uxm s LEU 8 CO 0.03 -0.21 0.02 -0.54 0.02 0.00 0.00 176.35 175.67 1uxm s LYS 9 N 1.46 0.52 0.00 1.70 1.02 -0.51 -1.59 119.74 122.33 1uxm s LYS 9 Ca 0.32 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1uxm s LYS 9 Cb -0.16 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1uxm s LYS 9 CO 0.13 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1uxm n GLY 10 N 0.78 2.83 0.11 -3.33 0.00 -1.24 -1.27 105.19 103.07 1uxm n GLY 10 Ca -0.19 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.01 0.72 0.00 1.61 8.00 -1.26 -4.89 116.55 119.72 1uxm n ASP 11 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1uxm n ASP 11 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.42 4.81 0.10 0.44 0.00 -1.26 -5.02 105.19 105.68 1uxm n GLY 12 Ca 0.09 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 0.80 -2.70 1.61 -0.05 -1.26 -4.86 135.00 128.54 1uxm n PRO 13 Ca 0.00 -0.21 -0.42 0.00 -0.05 0.00 0.00 63.50 62.82 1uxm n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.05 0.00 0.00 33.50 31.93 1uxm n PRO 13 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1uxm s VAL 14 N -2.35 4.79 -0.02 0.52 1.01 -1.26 -4.25 120.40 118.84 1uxm s VAL 14 Ca 0.34 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 64.16 1uxm s VAL 14 Cb 0.21 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1uxm s VAL 14 CO 0.44 0.01 0.36 0.00 0.00 0.00 0.00 175.10 175.91 1uxm s GLN 15 N 2.00 0.72 0.18 2.72 -2.07 -1.01 -3.71 119.66 118.49 1uxm s GLN 15 Ca 0.48 -0.13 -0.22 0.00 -1.82 0.00 0.00 55.36 53.67 1uxm s GLN 15 Cb -0.18 0.32 0.08 0.00 -1.09 0.00 0.00 33.01 32.14 1uxm s GLN 15 CO 0.18 -0.20 1.06 0.20 -1.32 0.00 0.00 175.29 175.20 1uxm s GLY 16 N -1.30 0.14 -0.06 2.60 0.00 -0.62 -0.83 107.32 107.24 1uxm s GLY 16 Ca -0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 1uxm s GLY 16 CO 0.05 2.97 -0.01 -0.42 0.00 0.00 0.00 173.10 175.69 1uxm s ILE 17 N -2.06 0.41 -0.14 0.90 1.01 -0.41 -1.26 121.20 119.64 1uxm s ILE 17 Ca 0.23 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1uxm s ILE 17 Cb -0.03 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.95 1uxm s ILE 17 CO 0.05 0.23 -0.17 -0.63 0.00 0.00 0.00 174.94 174.43 1uxm s ILE 18 N 1.49 1.72 0.23 2.92 -1.09 -0.19 -1.97 121.20 124.32 1uxm s ILE 18 Ca -0.02 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1uxm s ILE 18 Cb -0.13 -1.57 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 1uxm s ILE 18 CO -0.03 0.48 0.44 0.20 -1.23 0.00 0.00 174.94 174.80 1uxm s ASN 19 N 1.17 6.38 -0.00 3.58 -0.87 0.87 -1.23 114.94 124.85 1uxm s ASN 19 Ca -0.01 0.45 0.02 0.00 -1.57 0.00 0.00 52.86 51.75 1uxm s ASN 19 Cb -0.14 -2.03 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1uxm s ASN 19 CO -0.07 -0.10 -0.06 -0.36 -2.57 0.00 0.00 177.10 173.95 1uxm s PHE 20 N -1.96 0.54 -0.06 2.20 0.40 -0.15 -1.38 117.98 117.57 1uxm s PHE 20 Ca 0.39 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.56 1uxm s PHE 20 Cb -0.11 -0.34 0.02 0.00 0.51 0.00 0.00 43.02 43.10 1uxm s PHE 20 CO 0.30 -0.01 0.16 -2.00 0.70 0.00 0.00 175.22 174.37 1uxm s GLU 21 N -0.20 0.17 -0.24 0.44 2.12 0.14 -1.29 118.70 119.85 1uxm s GLU 21 Ca 0.02 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.56 1uxm s GLU 21 Cb -0.03 0.05 0.08 0.00 0.26 0.00 0.00 34.13 34.49 1uxm s GLU 21 CO -0.00 -0.04 0.08 -1.14 -0.54 0.00 0.00 175.26 173.62 1uxm s GLN 22 N 0.25 0.43 0.34 4.30 0.74 0.10 -0.36 119.66 125.45 1uxm s GLN 22 Ca -0.01 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.91 1uxm s GLN 22 Cb -0.03 -1.79 0.59 0.00 1.10 0.00 0.00 33.01 32.89 1uxm s GLN 22 CO -0.01 -0.81 1.95 0.87 -0.55 0.00 0.00 175.29 176.74 1uxm h LYS 23 N 8.29 0.75 -5.23 1.67 1.57 -1.83 -3.40 116.57 118.39 1uxm h LYS 23 Ca -0.16 -0.09 -0.45 0.00 -1.87 0.00 0.00 60.65 58.08 1uxm h LYS 23 Cb 1.08 -0.15 -0.27 0.00 0.08 0.00 0.00 32.23 32.97 1uxm h LYS 23 CO 0.38 0.58 -0.80 -1.21 -0.57 0.00 0.00 179.45 177.83 1uxm s GLU 24 N -5.45 0.98 -0.90 3.15 0.41 -1.26 -5.03 118.70 110.60 1uxm s GLU 24 Ca -0.09 -0.61 -0.22 0.00 -0.41 0.00 0.00 54.97 53.64 1uxm s GLU 24 Cb 0.17 -0.97 -0.13 0.00 -1.78 0.00 0.00 34.13 31.42 1uxm s GLU 24 CO 0.77 0.25 1.94 0.45 -0.49 0.00 0.00 175.26 178.18 1uxm n SER 25 N 2.32 2.76 0.00 -0.19 2.88 -1.26 -0.89 113.62 119.24 1uxm n SER 25 Ca -0.16 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1uxm n SER 25 Cb 0.55 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1uxm n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1uxm n ASN 26 N 8.62 0.00 0.00 -3.46 3.02 -1.26 -5.08 115.26 117.10 1uxm n ASN 26 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1uxm n ASN 26 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1uxm n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uxm n GLY 27 N 0.00 2.24 3.67 7.41 0.00 -0.07 -5.03 105.19 113.41 1uxm n GLY 27 Ca 0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1uxm n GLY 27 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uxm n PRO 28 N 0.00 1.83 -4.36 1.61 -0.02 -1.26 -4.80 135.00 127.99 1uxm n PRO 28 Ca 0.00 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1uxm n PRO 28 Cb 0.00 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.10 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 -1.15 2.86 -0.14 -1.45 1.01 0.11 -4.39 120.40 117.25 1uxm s VAL 29 Ca 0.59 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1uxm s VAL 29 Cb -0.57 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1uxm s VAL 29 CO 0.60 0.50 0.59 -0.75 0.00 0.00 0.00 175.10 176.04 1uxm s LYS 30 N 0.95 4.30 -0.11 2.72 2.20 0.51 -1.14 119.74 129.17 1uxm s LYS 30 Ca -0.02 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1uxm s LYS 30 Cb -0.15 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1uxm s LYS 30 CO -0.01 -0.05 -0.13 0.54 -0.36 0.00 0.00 175.35 175.34 1uxm s VAL 31 N 1.26 1.38 0.05 4.02 0.11 0.10 -0.68 120.40 126.64 1uxm s VAL 31 Ca 0.30 -0.56 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 1uxm s VAL 31 Cb -0.16 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1uxm s VAL 31 CO 0.12 0.42 0.38 -1.66 -3.33 0.00 0.00 175.10 171.03 1uxm s TRP 32 N 1.14 -0.21 -5.00 1.54 -2.14 -0.48 -0.28 118.94 113.51 1uxm s TRP 32 Ca -0.04 0.12 0.00 0.00 2.66 0.00 0.00 56.10 58.84 1uxm s TRP 32 Cb -0.14 0.19 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 1uxm s TRP 32 CO -0.03 -0.56 0.00 0.41 -2.66 0.00 0.00 176.95 174.10 1uxm n GLY 33 N 0.45 -0.32 3.07 3.67 0.00 -0.65 -0.09 105.19 111.33 1uxm n GLY 33 Ca -0.18 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.15 -0.04 1.61 0.15 -0.83 -0.27 113.70 110.16 1uxm s SER 34 Ca 0.00 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1uxm s SER 34 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1uxm s SER 34 CO 0.00 -0.12 -0.13 -0.63 1.20 0.00 0.00 173.24 173.55 1uxm s ILE 35 N -0.19 1.14 0.46 6.45 1.01 0.29 -1.29 121.20 129.07 1uxm s ILE 35 Ca -0.03 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1uxm s ILE 35 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1uxm s ILE 35 CO 0.01 0.34 0.02 -1.59 0.00 0.00 0.00 174.94 173.72 1uxm s LYS 36 N 0.21 2.09 0.00 2.79 -2.85 -0.01 -0.27 119.74 121.69 1uxm s LYS 36 Ca -0.06 -2.24 0.00 0.00 -1.00 0.00 0.00 55.97 52.68 1uxm s LYS 36 Cb -0.11 -1.61 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1uxm s LYS 36 CO 0.02 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1uxm n GLY 37 N -1.14 0.67 3.92 0.59 0.00 -0.91 -2.41 105.19 105.93 1uxm n GLY 37 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 4.34 0.38 0.99 1.43 -0.63 -4.43 118.68 120.75 1uxm s LEU 38 Ca 0.00 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 1uxm s LEU 38 Cb 0.00 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.13 1uxm s LEU 38 CO 0.00 0.11 1.30 0.42 0.23 0.00 0.00 176.35 178.41 1uxm s THR 39 N -1.61 2.69 0.22 5.49 -4.23 -1.26 -3.98 115.64 112.95 1uxm s THR 39 Ca 0.36 0.65 -0.32 0.00 -1.18 0.00 0.00 61.69 61.19 1uxm s THR 39 Cb -0.12 -3.39 -0.14 0.00 1.34 0.00 0.00 72.50 70.19 1uxm s THR 39 CO 0.28 0.12 1.37 1.21 -0.54 0.00 0.00 174.62 177.06 1uxm n GLU 40 N 0.39 1.85 0.00 3.99 2.13 -1.26 -4.62 120.64 123.11 1uxm n GLU 40 Ca 0.02 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1uxm n GLU 40 Cb 0.43 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 2.24 0.44 3.76 8.31 0.00 -0.57 -4.93 105.19 114.43 1uxm n GLY 41 Ca 0.13 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 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 4.45 -0.02 0.99 1.02 -1.26 -0.88 118.68 122.98 1uxm s LEU 42 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 54.13 56.27 1uxm s LEU 42 Cb 0.00 -3.80 0.02 0.00 0.02 0.00 0.00 46.19 42.43 1uxm s LEU 42 CO 0.00 -0.17 0.02 -1.00 0.02 0.00 0.00 176.35 175.21 1uxm s HIS 43 N -1.33 0.07 0.45 0.29 3.76 -0.54 -3.12 115.29 114.88 1uxm s HIS 43 Ca 0.48 0.08 -0.25 0.00 -0.15 0.00 0.00 55.06 55.21 1uxm s HIS 43 Cb -0.27 -0.20 -0.08 0.00 1.11 0.00 0.00 32.58 33.13 1uxm s HIS 43 CO 0.35 -0.07 1.42 0.41 -0.85 0.00 0.00 174.74 176.00 1uxm n GLY 44 N 3.88 0.97 2.73 -2.22 0.00 -0.25 -1.29 105.19 109.00 1uxm n GLY 44 Ca -0.24 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.20 -0.23 0.04 1.61 5.36 -0.59 -0.61 117.98 122.36 1uxm s PHE 45 Ca 0.62 0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 1uxm s PHE 45 Cb -0.45 -0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 41.77 1uxm s PHE 45 CO 0.57 -0.66 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.65 1uxm s HIS 46 N 2.30 0.37 -0.29 10.12 3.76 -0.83 -2.62 115.29 128.11 1uxm s HIS 46 Ca 0.07 -0.78 -0.15 0.00 -0.15 0.00 0.00 55.06 54.06 1uxm s HIS 46 Cb -0.16 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 1uxm s HIS 46 CO -0.16 -0.29 0.36 0.08 -0.85 0.00 0.00 174.74 173.87 1uxm s VAL 47 N -2.69 5.18 0.38 -0.90 1.01 0.30 -1.46 120.40 122.22 1uxm s VAL 47 Ca -0.04 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 1uxm s VAL 47 Cb -0.01 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1uxm s VAL 47 CO -0.05 0.10 0.69 -1.00 0.00 0.00 0.00 175.10 174.83 1uxm s HIS 48 N 2.04 3.50 0.13 5.22 3.76 0.24 -1.16 115.29 129.02 1uxm s HIS 48 Ca 0.14 0.82 -0.16 0.00 -0.15 0.00 0.00 55.06 55.70 1uxm s HIS 48 Cb -0.16 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 1uxm s HIS 48 CO 0.11 -0.04 1.66 1.49 -0.85 0.00 0.00 174.74 177.10 1uxm h GLU 49 N 1.11 0.58 -6.01 1.40 4.81 -0.92 -2.53 114.58 113.02 1uxm h GLU 49 Ca -0.47 -0.12 -0.68 0.00 -0.13 0.00 0.00 59.36 57.96 1uxm h GLU 49 Cb 1.19 -0.09 -0.17 0.00 0.63 0.00 0.00 28.75 30.32 1uxm h GLU 49 CO 0.64 0.58 -0.65 -0.06 -0.73 0.00 0.00 179.01 178.78 1uxm s PHE 50 N -5.47 3.06 -0.76 0.92 0.08 -0.31 -4.64 117.98 110.86 1uxm s PHE 50 Ca -0.13 0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 1uxm s PHE 50 Cb 0.10 -1.76 0.16 0.00 -0.57 0.00 0.00 43.02 40.94 1uxm s PHE 50 CO 0.75 0.39 2.46 0.41 -0.10 0.00 0.00 175.22 179.13 1uxm n GLY 51 N 2.24 4.93 3.11 4.36 0.00 -1.01 -3.66 105.19 115.17 1uxm n GLY 51 Ca -0.18 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.09 4.12 -0.18 1.61 -1.08 -1.26 -4.95 116.67 114.83 1uxm s ASP 52 Ca 0.55 -1.10 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 1uxm s ASP 52 Cb 0.34 -1.56 0.63 0.00 -1.46 0.00 0.00 42.92 40.86 1uxm s ASP 52 CO -0.23 -0.13 1.54 -3.20 0.52 0.00 0.00 175.17 173.66 1uxm n ASN 53 N 4.54 4.51 0.26 -0.34 4.05 -1.26 -2.83 115.26 124.18 1uxm n ASN 53 Ca -0.16 -2.89 0.13 0.00 0.45 0.00 0.00 54.58 52.11 1uxm n ASN 53 Cb 0.45 -0.58 0.72 0.00 1.23 0.00 0.00 39.78 41.60 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 2.71 0.57 -1.33 -0.44 1.35 -1.93 -2.90 112.91 110.94 1uxm h THR 54 Ca 0.00 -0.54 -0.49 0.00 -0.55 0.00 0.00 66.41 64.83 1uxm h THR 54 Cb 1.58 1.35 -0.41 0.00 -1.73 0.00 0.00 68.15 68.94 1uxm h THR 54 CO 0.30 0.12 -0.93 0.00 -0.25 0.00 0.00 175.52 174.75 1uxm n ALA 55 N -2.28 4.32 -0.77 6.62 0.00 -1.26 -5.05 120.51 122.09 1uxm n ALA 55 Ca -0.02 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1uxm n ALA 55 Cb 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.29 2.45 0.20 0.00 0.00 -1.10 -2.99 105.19 103.47 1uxm n GLY 56 Ca 0.26 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 1.20 0.00 0.00 2.02 -1.88 -2.47 112.91 111.78 1uxm h THR 58 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1uxm h THR 58 Cb 0.89 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 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 -4.35 0.00 0.20 4.18 3.41 -1.24 -2.65 113.62 113.16 1uxm n SER 59 Ca 0.06 -0.11 0.14 0.00 -0.26 0.00 0.00 58.87 58.70 1uxm n SER 59 Cb 0.13 -0.28 0.65 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 h ALA 60 N 3.28 1.00 0.00 7.33 0.00 -1.28 -3.40 119.26 126.18 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 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 -0.46 -1.70 0.51 0.00 0.00 -1.09 -1.17 105.19 101.29 1uxm n GLY 61 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 0.35 -2.15 1.61 -0.04 -1.26 -4.68 135.00 128.84 1uxm n PRO 62 Ca 0.00 -0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 62.72 1uxm n PRO 62 Cb 0.00 -0.11 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.49 3.12 -0.07 0.54 3.76 -1.26 -0.81 115.29 120.09 1uxm s HIS 63 Ca 0.09 1.37 -0.35 0.00 -0.15 0.00 0.00 55.06 56.02 1uxm s HIS 63 Cb -0.00 -3.65 -0.13 0.00 1.11 0.00 0.00 32.58 29.91 1uxm s HIS 63 CO 0.06 -1.84 1.81 0.34 -0.85 0.00 0.00 174.74 174.26 1uxm n PHE 64 N 1.28 2.27 -2.98 1.40 7.35 -0.31 -4.49 117.46 121.98 1uxm n PHE 64 Ca 0.02 0.11 -0.15 0.00 -0.76 0.00 0.00 57.45 56.67 1uxm n PHE 64 Cb 0.42 -2.62 0.01 0.00 0.35 0.00 0.00 39.48 37.64 1uxm n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1uxm n ASN 65 N 5.94 -0.85 0.29 -2.13 5.15 -1.26 -1.86 115.26 120.54 1uxm n ASN 65 Ca 0.22 -3.19 0.18 0.00 -0.60 0.00 0.00 54.58 51.19 1uxm n ASN 65 Cb 0.27 0.52 0.81 0.00 -0.53 0.00 0.00 39.78 40.85 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 3.38 0.00 -0.12 1.20 0.13 -1.93 -2.04 132.00 132.61 1uxm h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1uxm h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1uxm h PRO 66 CO 0.36 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 1uxm n LEU 67 N -3.13 1.89 -3.68 1.56 4.77 -1.26 -4.98 117.00 112.17 1uxm n LEU 67 Ca -0.00 -0.73 -0.23 0.00 -0.03 0.00 0.00 56.01 55.02 1uxm n LEU 67 Cb 0.25 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1uxm n LEU 67 CO 0.26 0.36 0.04 -1.20 -1.33 0.00 0.00 177.39 175.52 1uxm n SER 68 N 0.47 -2.67 -5.00 -1.43 7.64 -0.77 -5.00 113.62 106.86 1uxm n SER 68 Ca 0.17 -0.74 -0.18 0.00 1.01 0.00 0.00 58.87 59.13 1uxm n SER 68 Cb 0.39 -4.35 0.02 0.00 -1.01 0.00 0.00 64.21 59.26 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 -6.02 2.65 0.54 1.43 0.52 -1.26 -5.13 118.95 111.67 1uxm s ARG 69 Ca 0.20 -1.39 -0.03 0.00 -0.52 0.00 0.00 55.73 53.99 1uxm s ARG 69 Cb -0.10 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1uxm s ARG 69 CO 0.79 -0.44 0.80 0.15 0.02 0.00 0.00 175.30 176.62 1uxm s LYS 70 N -4.42 2.88 0.38 3.54 1.02 -1.26 -4.71 119.74 117.16 1uxm s LYS 70 Ca 0.56 -0.31 -0.26 0.00 0.02 0.00 0.00 55.97 55.97 1uxm s LYS 70 Cb -0.08 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1uxm s LYS 70 CO 0.34 -0.57 1.21 -1.58 -0.92 0.00 0.00 175.35 173.83 1uxm s HIS 71 N -2.81 3.08 0.00 3.18 5.65 -0.20 -2.89 115.29 121.29 1uxm s HIS 71 Ca 0.53 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.36 1uxm s HIS 71 Cb -0.10 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 1uxm s HIS 71 CO 0.41 -1.46 0.00 0.41 -0.65 0.00 0.00 174.74 173.45 1uxm n GLY 72 N 0.73 2.63 3.94 1.59 0.00 -1.24 -4.36 105.19 108.47 1uxm n GLY 72 Ca 0.03 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.87 1.67 0.60 -0.02 0.00 -1.23 -4.72 107.32 102.75 1uxm s GLY 73 Ca 0.00 -0.95 0.32 0.00 0.00 0.00 0.00 44.72 44.09 1uxm s GLY 73 CO 0.00 -0.64 2.26 -0.56 0.00 0.00 0.00 173.10 174.16 1uxm h PRO 74 N -0.19 0.00 0.00 2.90 0.13 -1.86 -2.04 132.00 130.95 1uxm h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1uxm h PRO 74 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uxm h PRO 74 CO 0.58 0.01 -0.60 1.63 -0.23 0.00 0.00 178.00 179.40 1uxm n LYS 75 N -3.70 0.01 -2.49 0.86 4.76 -1.26 -4.92 118.16 111.42 1uxm n LYS 75 Ca -0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.03 1uxm n LYS 75 Cb 0.10 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 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 -3.05 6.92 0.18 4.39 1.01 -0.77 -4.94 116.67 120.41 1uxm s ASP 76 Ca 0.10 2.16 -0.08 0.00 0.71 0.00 0.00 52.55 55.44 1uxm s ASP 76 Cb 0.17 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1uxm s ASP 76 CO 0.73 -0.38 1.57 -0.08 0.21 0.00 0.00 175.17 177.22 1uxm h GLU 77 N 3.01 0.90 -5.55 8.23 4.81 -1.91 -3.37 114.58 120.70 1uxm h GLU 77 Ca -0.48 -0.39 -0.63 0.00 -0.13 0.00 0.00 59.36 57.73 1uxm h GLU 77 Cb 1.22 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 1uxm h GLU 77 CO 0.64 1.05 0.46 -2.00 -0.73 0.00 0.00 179.01 178.42 1uxm s GLU 78 N -4.59 3.22 0.13 1.92 2.56 -1.26 -4.96 118.70 115.72 1uxm s GLU 78 Ca -0.10 -0.57 -0.25 0.00 0.00 0.00 0.00 54.97 54.05 1uxm s GLU 78 Cb 0.12 -4.12 0.07 0.00 2.00 0.00 0.00 34.13 32.20 1uxm s GLU 78 CO 0.86 -1.54 0.81 -0.98 -0.56 0.00 0.00 175.26 173.85 1uxm s ARG 79 N 3.72 1.20 0.51 4.30 1.04 -1.14 -3.70 118.95 124.88 1uxm s ARG 79 Ca 0.25 -0.56 -0.19 0.00 -1.04 0.00 0.00 55.73 54.19 1uxm s ARG 79 Cb -0.15 0.48 -0.08 0.00 -2.04 0.00 0.00 34.95 33.16 1uxm s ARG 79 CO 0.15 -0.54 1.02 -1.01 -0.04 0.00 0.00 175.30 174.88 1uxm s HIS 80 N -3.45 3.11 0.37 5.89 3.76 -1.18 -4.70 115.29 119.09 1uxm s HIS 80 Ca 0.07 1.55 0.14 0.00 -0.15 0.00 0.00 55.06 56.67 1uxm s HIS 80 Cb -0.02 -2.98 0.96 0.00 1.11 0.00 0.00 32.58 31.66 1uxm s HIS 80 CO -0.04 -0.71 1.81 -0.24 -0.85 0.00 0.00 174.74 174.71 1uxm h VAL 81 N 1.26 0.67 -0.07 -0.90 3.04 -1.87 -2.37 116.25 116.01 1uxm h VAL 81 Ca -0.48 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1uxm h VAL 81 Cb 1.21 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1uxm h VAL 81 CO 0.59 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.86 1uxm n GLY 82 N -1.45 -0.52 3.53 3.17 0.00 -0.78 -4.29 105.19 104.86 1uxm n GLY 82 Ca 0.22 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.43 6.39 0.00 1.61 1.01 -0.89 -0.54 116.67 122.83 1uxm s ASP 83 Ca 0.24 -1.23 0.21 0.00 0.71 0.00 0.00 52.55 52.48 1uxm s ASP 83 Cb 0.12 -2.52 0.54 0.00 1.01 0.00 0.00 42.92 42.06 1uxm s ASP 83 CO 0.19 -1.52 1.46 0.18 0.21 0.00 0.00 175.17 175.68 1uxm n LEU 84 N 8.53 3.27 0.00 1.23 4.77 -1.08 -3.66 117.00 130.06 1uxm n LEU 84 Ca 0.20 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 1uxm n LEU 84 Cb 0.50 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1uxm n LEU 84 CO 0.65 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 1uxm n GLY 85 N 1.48 0.29 3.59 -0.72 0.00 -1.21 -4.76 105.19 103.86 1uxm n GLY 85 Ca 0.20 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 4.28 0.28 1.61 0.01 -1.26 -1.54 114.94 114.32 1uxm s ASN 86 Ca 0.00 -0.70 0.11 0.00 -0.71 0.00 0.00 52.86 51.56 1uxm s ASN 86 Cb 0.00 -0.71 -0.05 0.00 0.41 0.00 0.00 41.25 40.91 1uxm s ASN 86 CO 0.00 0.04 -0.10 0.68 -1.51 0.00 0.00 177.10 176.21 1uxm s VAL 87 N -2.18 2.95 -0.16 1.60 -7.23 -0.41 -4.91 120.40 110.06 1uxm s VAL 87 Ca 0.29 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1uxm s VAL 87 Cb -0.07 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1uxm s VAL 87 CO 0.18 -0.38 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.50 1uxm s THR 88 N -2.42 2.22 0.04 5.32 2.01 -1.26 -1.47 115.64 120.09 1uxm s THR 88 Ca 0.31 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1uxm s THR 88 Cb -0.06 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 1uxm s THR 88 CO 0.18 0.54 0.37 0.00 -0.69 0.00 0.00 174.62 175.02 1uxm s ALA 89 N 0.97 3.74 0.75 7.40 0.00 -0.05 -4.19 121.76 130.38 1uxm s ALA 89 Ca -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1uxm s ALA 89 Cb -0.15 -2.26 0.10 0.00 0.00 0.00 0.00 23.12 20.82 1uxm s ALA 89 CO -0.05 0.56 0.67 -0.40 0.00 0.00 0.00 175.76 176.54 1uxm n ASP 90 N 1.17 0.51 0.10 0.00 5.68 0.34 -1.52 116.55 122.83 1uxm n ASP 90 Ca -0.10 -1.52 0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1uxm n ASP 90 Cb 0.52 -0.47 0.44 0.00 -1.14 0.00 0.00 41.12 40.47 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 -2.32 0.13 -0.13 0.11 2.85 -1.26 -0.96 118.16 116.57 1uxm n LYS 91 Ca 0.10 0.45 0.10 0.00 -1.05 0.00 0.00 58.31 57.91 1uxm n LYS 91 Cb 0.35 -1.79 0.30 0.00 -0.65 0.00 0.00 35.03 33.23 1uxm n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uxm n ASP 92 N -2.05 2.20 0.00 -5.58 8.00 -1.26 -4.90 116.55 112.96 1uxm n ASP 92 Ca 0.01 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1uxm n ASP 92 Cb 0.15 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.23 0.51 3.48 0.44 0.00 -0.14 -4.71 105.19 106.00 1uxm n GLY 93 Ca 0.16 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 4.00 -0.30 1.61 1.01 -1.25 -1.61 120.40 121.86 1uxm s VAL 94 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1uxm s VAL 94 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1uxm s VAL 94 CO 0.00 0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.64 1uxm s ALA 95 N 0.73 3.07 -0.49 5.51 0.00 0.62 -0.51 121.76 130.70 1uxm s ALA 95 Ca -0.00 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.25 1uxm s ALA 95 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.85 1uxm s ALA 95 CO 0.02 -0.95 0.86 0.34 0.00 0.00 0.00 175.76 176.04 1uxm s ASP 96 N 1.50 6.40 -0.14 0.00 -1.08 -1.26 -0.55 116.67 121.54 1uxm s ASP 96 Ca 0.02 -0.17 -0.15 0.00 -0.52 0.00 0.00 52.55 51.74 1uxm s ASP 96 Cb -0.17 -2.41 -0.05 0.00 -1.46 0.00 0.00 42.92 38.83 1uxm s ASP 96 CO 0.03 -1.05 0.35 -0.69 0.52 0.00 0.00 175.17 174.32 1uxm s VAL 97 N 3.59 5.26 -0.22 1.11 1.01 0.63 -4.82 120.40 126.96 1uxm s VAL 97 Ca 0.31 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1uxm s VAL 97 Cb -0.12 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1uxm s VAL 97 CO 0.22 0.38 0.38 -0.55 0.00 0.00 0.00 175.10 175.53 1uxm s SER 98 N 0.43 0.09 0.01 3.32 0.15 -1.25 -1.64 113.70 114.82 1uxm s SER 98 Ca 0.19 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1uxm s SER 98 Cb -0.14 1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 65.32 1uxm s SER 98 CO 0.06 -0.27 -0.02 -0.63 1.20 0.00 0.00 173.24 173.58 1uxm s ILE 99 N 2.56 0.10 -0.11 6.45 1.01 0.62 -5.01 121.20 126.82 1uxm s ILE 99 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1uxm s ILE 99 Cb -0.14 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1uxm s ILE 99 CO -0.14 -0.26 -0.17 -0.70 0.00 0.00 0.00 174.94 173.67 1uxm s GLU 100 N -0.80 2.41 -0.02 2.79 2.12 -1.26 0.01 118.70 123.95 1uxm s GLU 100 Ca -0.08 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1uxm s GLU 100 Cb -0.05 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.36 1uxm s GLU 100 CO -0.00 -0.01 -0.07 0.34 -0.54 0.00 0.00 175.26 174.98 1uxm s ASP 101 N 0.82 0.93 0.00 -1.70 2.15 -0.29 -4.96 116.67 113.62 1uxm s ASP 101 Ca -0.10 -0.14 0.13 0.00 0.43 0.00 0.00 52.55 52.88 1uxm s ASP 101 Cb -0.16 -0.23 0.25 0.00 -0.30 0.00 0.00 42.92 42.48 1uxm s ASP 101 CO 0.01 0.05 1.13 -1.20 -0.17 0.00 0.00 175.17 174.98 1uxm n SER 102 N 3.29 2.66 -0.11 -0.34 7.64 -1.26 0.07 113.62 125.56 1uxm n SER 102 Ca -0.18 -1.80 -0.25 0.00 1.01 0.00 0.00 58.87 57.66 1uxm n SER 102 Cb 0.55 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 1uxm n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uxm n VAL 103 N 0.73 1.55 -1.06 0.44 0.31 -1.26 -4.82 118.33 114.22 1uxm n VAL 103 Ca 0.11 -0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 1uxm n VAL 103 Cb 0.40 -1.94 0.13 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.43 2.77 0.12 2.52 -4.36 -1.26 -4.86 121.20 113.69 1uxm s ILE 104 Ca -0.32 0.25 -0.07 0.00 -0.26 0.00 0.00 60.65 60.25 1uxm s ILE 104 Cb 0.09 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 1uxm s ILE 104 CO 0.57 -0.33 0.18 -0.55 0.24 0.00 0.00 174.94 175.05 1uxm s SER 105 N -3.16 0.16 -0.06 4.36 0.15 -0.97 -4.71 113.70 109.48 1uxm s SER 105 Ca 0.64 -0.85 0.15 0.00 0.70 0.00 0.00 55.95 56.59 1uxm s SER 105 Cb -0.19 0.35 0.50 0.00 -1.71 0.00 0.00 66.02 64.97 1uxm s SER 105 CO 0.57 -0.77 1.42 0.18 1.20 0.00 0.00 173.24 175.84 1uxm n LEU 106 N -0.10 3.72 -3.97 3.45 4.77 -1.26 -1.45 117.00 122.15 1uxm n LEU 106 Ca -0.11 -2.29 -0.09 0.00 -0.03 0.00 0.00 56.01 53.48 1uxm n LEU 106 Cb 0.63 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1uxm n LEU 106 CO 0.25 0.78 0.24 -0.94 -1.33 0.00 0.00 177.39 176.39 1uxm s SER 107 N -1.14 -0.01 0.64 -1.43 1.04 -1.26 -2.77 113.70 108.77 1uxm s SER 107 Ca 0.37 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1uxm s SER 107 Cb 0.23 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1uxm s SER 107 CO 0.19 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1uxm n GLY 108 N -0.42 -0.62 0.31 7.32 0.00 -1.26 -3.29 105.19 107.23 1uxm n GLY 108 Ca -0.02 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.58 1.61 3.32 -2.01 -2.22 116.42 116.54 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 -4.39 2.03 -1.70 4.55 8.25 -1.25 -4.97 115.22 117.73 1uxm n HIS 110 Ca 0.02 -0.71 -0.44 0.00 -0.26 0.00 0.00 57.72 56.33 1uxm n HIS 110 Cb 0.29 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 2.95 0.55 -2.17 0.00 -5.35 -0.53 -4.91 119.36 109.90 1uxm n ILE 112 Ca 0.14 -0.78 -0.42 0.00 -0.27 0.00 0.00 62.75 61.43 1uxm n ILE 112 Cb 0.33 0.85 -0.03 0.00 -1.74 0.00 0.00 39.64 39.05 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 -1.06 3.13 0.00 7.28 1.01 -1.26 -1.67 121.20 128.63 1uxm s ILE 113 Ca 0.23 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1uxm s ILE 113 Cb 0.13 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1uxm s ILE 113 CO 0.18 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1uxm n GLY 114 N 2.64 0.77 1.78 6.18 0.00 0.10 -5.00 105.19 111.67 1uxm n GLY 114 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.21 0.97 -4.81 1.61 1.74 -0.67 -2.39 116.66 110.90 1uxm n ARG 115 Ca 0.00 -1.51 -0.33 0.00 -0.77 0.00 0.00 57.85 55.24 1uxm n ARG 115 Cb 0.00 0.03 -0.14 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.96 3.01 -0.06 0.55 2.01 -0.95 -0.72 115.64 118.52 1uxm s THR 116 Ca 0.21 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 1uxm s THR 116 Cb -0.02 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1uxm s THR 116 CO 0.13 0.53 0.53 -0.22 -0.69 0.00 0.00 174.62 174.90 1uxm s LEU 117 N 0.27 4.36 -0.03 4.42 2.96 -0.18 0.83 118.68 131.31 1uxm s LEU 117 Ca -0.10 0.99 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 1uxm s LEU 117 Cb -0.16 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 1uxm s LEU 117 CO 0.06 0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 1uxm s VAL 118 N 0.11 1.45 -0.08 1.68 1.01 -0.54 -1.92 120.40 122.11 1uxm s VAL 118 Ca 0.28 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1uxm s VAL 118 Cb -0.17 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1uxm s VAL 118 CO 0.14 0.41 -0.13 0.54 0.00 0.00 0.00 175.10 176.06 1uxm s VAL 119 N -0.12 3.11 0.29 2.92 0.11 -0.56 -1.97 120.40 124.19 1uxm s VAL 119 Ca -0.00 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 58.44 1uxm s VAL 119 Cb -0.10 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 1uxm s VAL 119 CO 0.01 0.56 0.28 -1.00 -3.33 0.00 0.00 175.10 171.63 1uxm s HIS 120 N -0.29 3.07 0.18 1.54 3.76 0.22 -1.07 115.29 122.70 1uxm s HIS 120 Ca 0.02 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1uxm s HIS 120 Cb -0.13 -1.63 0.12 0.00 1.11 0.00 0.00 32.58 32.05 1uxm s HIS 120 CO 0.03 0.33 1.82 1.49 -0.85 0.00 0.00 174.74 177.56 1uxm h GLU 121 N 1.30 0.65 0.00 1.40 4.81 -0.90 -3.38 114.58 118.47 1uxm h GLU 121 Ca -0.47 -0.04 -0.45 0.00 -0.13 0.00 0.00 59.36 58.27 1uxm h GLU 121 Cb 1.25 -0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 1uxm h GLU 121 CO 0.59 0.43 -0.41 0.36 -0.73 0.00 0.00 179.01 179.25 1uxm n LYS 122 N -4.77 0.46 -1.94 1.92 2.85 0.35 -4.92 118.16 112.11 1uxm n LYS 122 Ca 0.05 -2.98 -0.41 0.00 -1.05 0.00 0.00 58.31 53.91 1uxm n LYS 122 Cb 0.08 2.10 -0.01 0.00 -0.65 0.00 0.00 35.03 36.55 1uxm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uxm s ALA 123 N -3.11 3.56 -0.18 0.58 0.00 -1.18 -1.09 121.76 120.33 1uxm s ALA 123 Ca 0.28 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.38 1uxm s ALA 123 Cb 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1uxm s ALA 123 CO 0.20 -0.86 1.05 0.34 0.00 0.00 0.00 175.76 176.49 1uxm s ASP 124 N -0.20 7.13 0.00 0.00 -1.08 -1.26 -3.97 116.67 117.29 1uxm s ASP 124 Ca 0.52 1.46 0.06 0.00 -0.52 0.00 0.00 52.55 54.07 1uxm s ASP 124 Cb -0.44 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 38.67 1uxm s ASP 124 CO 0.57 -0.61 1.15 -0.90 0.52 0.00 0.00 175.17 175.90 1uxm n ASP 125 N 5.92 0.76 -2.52 -0.34 5.68 0.28 -4.87 116.55 121.46 1uxm n ASP 125 Ca 0.11 -1.96 -0.19 0.00 -0.50 0.00 0.00 54.79 52.25 1uxm n ASP 125 Cb 0.47 -0.09 -0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.10 -1.84 0.00 -2.12 4.77 -1.26 -2.04 117.00 114.41 1uxm n LEU 126 Ca 0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1uxm n LEU 126 Cb 0.12 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1uxm n LEU 126 CO 0.04 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1uxm n GLY 127 N -1.04 0.73 1.38 -0.72 0.00 -1.25 -3.52 105.19 100.78 1uxm n GLY 127 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.45 2.42 0.02 1.61 5.02 -0.86 -4.64 118.16 119.28 1uxm n LYS 128 Ca 0.00 -3.07 0.13 0.00 -2.02 0.00 0.00 58.31 53.35 1uxm n LYS 128 Cb 0.00 -1.94 0.41 0.00 -0.02 0.00 0.00 35.03 33.48 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 -0.85 -1.44 1.79 0.72 0.00 -1.26 -4.96 105.19 99.19 1uxm n GLY 129 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.45 0.45 3.44 -0.02 0.00 -1.26 -4.98 105.19 104.27 1uxm n GLY 130 Ca 0.06 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.90 -0.04 0.24 1.61 2.20 -1.26 -5.05 114.94 109.75 1uxm s ASN 131 Ca 0.00 -0.89 -0.05 0.00 -0.94 0.00 0.00 52.86 50.98 1uxm s ASN 131 Cb 0.00 0.50 0.33 0.00 -2.00 0.00 0.00 41.25 40.09 1uxm s ASN 131 CO 0.00 -1.00 1.86 -0.08 -2.94 0.00 0.00 177.10 174.94 1uxm h GLU 132 N 2.40 1.00 -0.61 3.55 4.81 -1.99 -1.95 114.58 121.78 1uxm h GLU 132 Ca -0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1uxm h GLU 132 Cb 1.24 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1uxm h GLU 132 CO 0.42 0.66 0.39 1.49 -0.73 0.00 0.00 179.01 181.25 1uxm h GLU 133 N 1.03 0.81 -0.55 1.92 4.57 -1.99 -0.00 114.58 120.36 1uxm h GLU 133 Ca 0.38 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1uxm h GLU 133 Cb 0.14 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1uxm h GLU 133 CO -0.16 0.55 0.37 1.03 -1.18 0.00 0.00 179.01 179.61 1uxm h SER 134 N 0.83 0.63 0.29 1.04 0.87 -1.70 0.73 113.55 116.24 1uxm h SER 134 Ca 0.22 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1uxm h SER 134 Cb -0.08 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1uxm h SER 134 CO -0.05 0.46 -0.00 0.35 -0.53 0.00 0.00 176.83 177.06 1uxm n THR 135 N -4.45 0.00 -0.05 2.23 -2.24 -0.03 -2.02 114.28 107.71 1uxm n THR 135 Ca 0.05 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1uxm n THR 135 Cb 0.05 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.14 0.21 0.00 -0.78 5.02 -0.38 -1.04 118.16 120.05 1uxm n LYS 136 Ca 0.19 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1uxm n LYS 136 Cb 0.18 -0.85 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 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 -3.45 0.20 -1.19 -0.18 -2.24 0.11 -4.72 114.28 102.80 1uxm n THR 137 Ca -0.19 -0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.13 1uxm n THR 137 Cb 0.63 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.10 0.82 2.78 3.38 0.00 -0.86 -2.86 105.19 108.36 1uxm n GLY 138 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.16 -5.89 0.00 1.61 3.02 -1.25 -0.55 115.26 112.03 1uxm n ASN 139 Ca -0.07 -0.17 0.11 0.00 -0.03 0.00 0.00 54.58 54.42 1uxm n ASN 139 Cb 0.34 -4.82 0.51 0.00 -0.61 0.00 0.00 39.78 35.20 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 -2.94 2.08 -0.14 5.41 0.00 -1.14 -4.75 120.51 119.04 1uxm n ALA 140 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1uxm n ALA 140 Cb 0.64 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.88 -0.31 3.72 0.00 0.00 -1.26 -0.50 105.19 107.72 1uxm n GLY 141 Ca 0.06 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 3.33 -0.47 1.61 1.04 -1.26 -4.66 113.70 109.29 1uxm s SER 142 Ca 0.00 1.35 -0.16 0.00 0.48 0.00 0.00 55.95 57.62 1uxm s SER 142 Cb 0.00 -2.02 0.06 0.00 0.10 0.00 0.00 66.02 64.16 1uxm s SER 142 CO 0.00 -2.71 0.42 -0.13 0.98 0.00 0.00 173.24 171.80 1uxm s ARG 143 N -4.99 3.00 0.08 4.02 0.52 -1.26 -0.73 118.95 119.59 1uxm s ARG 143 Ca 0.64 -1.23 -0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1uxm s ARG 143 Cb -0.18 -4.11 -0.26 0.00 0.52 0.00 0.00 34.95 30.93 1uxm s ARG 143 CO 0.57 -1.03 1.17 -0.07 0.02 0.00 0.00 175.30 175.96 1uxm h LEU 144 N 8.90 0.28 -7.06 2.53 3.38 -1.40 -3.48 115.31 118.47 1uxm h LEU 144 Ca -0.28 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1uxm h LEU 144 Cb 1.11 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 1uxm h LEU 144 CO 0.88 1.24 0.15 0.00 0.09 0.00 0.00 178.44 180.80 1uxm s ALA 145 N -2.67 -1.58 0.29 1.53 0.00 -1.12 -4.18 121.76 114.03 1uxm s ALA 145 Ca -0.03 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1uxm s ALA 145 Cb 0.08 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1uxm s ALA 145 CO 0.86 -0.54 0.60 0.00 0.00 0.00 0.00 175.76 176.68 1uxm s GLY 147 N -3.01 -0.53 0.18 0.00 0.00 -0.81 -1.42 107.32 101.73 1uxm s GLY 147 Ca 0.18 1.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.68 1uxm s GLY 147 CO 0.10 0.55 0.84 0.14 0.00 0.00 0.00 173.10 174.72 1uxm s VAL 148 N -2.52 4.29 -0.23 1.40 1.01 -1.26 -1.01 120.40 122.08 1uxm s VAL 148 Ca -0.02 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 63.52 1uxm s VAL 148 Cb -0.01 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1uxm s VAL 148 CO -0.04 0.50 0.97 -0.63 0.00 0.00 0.00 175.10 175.90 1uxm s ILE 149 N -1.08 4.74 0.31 2.22 1.01 0.10 -4.51 121.20 124.00 1uxm s ILE 149 Ca 0.38 1.88 0.05 0.00 0.00 0.00 0.00 60.65 62.96 1uxm s ILE 149 Cb -0.24 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 1uxm s ILE 149 CO 0.28 -0.13 0.01 -0.83 0.00 0.00 0.00 174.94 174.26 1uxm s GLY 150 N 1.24 2.01 0.09 6.18 0.00 0.07 -0.72 107.32 116.19 1uxm s GLY 150 Ca 0.41 -2.02 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 1uxm s GLY 150 CO 0.07 -1.85 1.19 -0.42 0.00 0.00 0.00 173.10 172.09 1uxm s ILE 151 N -3.13 3.93 0.24 0.90 1.01 -1.26 -1.00 121.20 121.89 1uxm s ILE 151 Ca 0.33 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.50 1uxm s ILE 151 Cb 0.07 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1uxm s ILE 151 CO 0.14 0.14 0.10 0.00 0.00 0.00 0.00 174.94 175.33 1uxm s ALA 152 N 0.77 3.40 -2.00 9.38 0.00 -0.37 -4.78 121.76 128.15 1uxm s ALA 152 Ca 0.57 -1.48 0.14 0.00 0.00 0.00 0.00 51.96 51.19 1uxm s ALA 152 Cb -0.30 -1.10 0.82 0.00 0.00 0.00 0.00 23.12 22.55 1uxm s ALA 152 CO 0.31 0.30 1.25 0.94 0.00 0.00 0.00 175.76 178.55