#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxg s ASP 2 N 0.00 3.84 0.11 0.00 1.01 -1.26 -1.22 116.67 119.15 2uxg s ASP 2 Ca 0.00 -0.28 0.07 0.00 0.71 0.00 0.00 52.55 53.06 2uxg s ASP 2 Cb 0.00 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 2uxg s ASP 2 CO 0.00 0.30 -0.18 -0.36 0.21 0.00 0.00 175.17 175.14 2uxg s PHE 3 N -0.46 1.64 -0.06 4.23 0.40 0.04 -4.96 117.98 118.82 2uxg s PHE 3 Ca 0.06 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2uxg s PHE 3 Cb -0.12 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 2uxg s PHE 3 CO 0.02 0.19 -0.23 -1.21 0.70 0.00 0.00 175.22 174.70 2uxg s GLU 4 N -2.13 2.57 -0.12 0.44 2.02 -1.26 -0.26 118.70 119.96 2uxg s GLU 4 Ca 0.07 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.23 2uxg s GLU 4 Cb -0.09 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 2uxg s GLU 4 CO 0.04 0.42 -0.21 0.08 0.02 0.00 0.00 175.26 175.62 2uxg s VAL 5 N -0.25 2.31 0.04 2.63 1.01 -0.21 -4.62 120.40 121.31 2uxg s VAL 5 Ca -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2uxg s VAL 5 Cb -0.13 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2uxg s VAL 5 CO 0.03 0.55 0.24 -1.00 0.00 0.00 0.00 175.10 174.91 2uxg s HIS 6 N 0.47 3.54 -0.27 5.22 3.76 0.30 0.13 115.29 128.43 2uxg s HIS 6 Ca -0.14 0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 55.09 2uxg s HIS 6 Cb -0.17 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 2uxg s HIS 6 CO 0.06 0.59 0.11 -1.64 -0.85 0.00 0.00 174.74 173.01 2uxg s MET 7 N -2.18 3.61 0.08 1.40 -1.94 -0.74 -0.34 119.30 119.20 2uxg s MET 7 Ca 0.32 -0.52 0.09 0.00 -1.71 0.00 0.00 55.69 53.87 2uxg s MET 7 Cb -0.13 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2uxg s MET 7 CO 0.22 -0.25 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.23 2uxg s LEU 8 N 1.64 2.25 0.39 -0.03 1.43 -0.34 -1.18 118.68 122.84 2uxg s LEU 8 Ca 0.06 -0.64 0.17 0.00 -1.03 0.00 0.00 54.13 52.68 2uxg s LEU 8 Cb -0.16 -1.06 0.78 0.00 0.03 0.00 0.00 46.19 45.78 2uxg s LEU 8 CO 0.06 0.15 1.81 0.78 0.23 0.00 0.00 176.35 179.37 2uxg h ASN 9 N 4.35 0.00 -3.68 2.29 2.35 -1.93 -1.00 115.58 117.96 2uxg h ASN 9 Ca -0.47 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 54.93 2uxg h ASN 9 Cb 1.17 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.22 2uxg h ASN 9 CO 0.41 0.36 -0.76 -0.75 -1.65 0.00 0.00 177.43 175.04 2uxg s LYS 10 N -3.92 0.51 0.26 0.81 2.20 -1.26 0.05 119.74 118.38 2uxg s LYS 10 Ca -0.02 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2uxg s LYS 10 Cb 0.13 -0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 35.89 2uxg s LYS 10 CO 0.69 0.00 0.08 0.41 -0.36 0.00 0.00 175.35 176.18 2uxg n GLY 11 N 3.54 3.59 0.27 5.54 0.00 0.95 -4.85 105.19 114.23 2uxg n GLY 11 Ca -0.20 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 43.91 2uxg n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uxg h LYS 12 N 0.00 0.00 -0.03 1.61 6.56 -2.00 -2.24 116.57 120.47 2uxg h LYS 12 Ca -0.20 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.27 2uxg h LYS 12 Cb 0.75 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.39 2uxg h LYS 12 CO 0.32 0.08 -0.52 -0.44 -2.06 0.00 0.00 179.45 176.83 2uxg h ASP 13 N 0.00 0.10 0.00 0.86 3.32 -2.00 -3.50 116.42 115.20 2uxg h ASP 13 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2uxg h ASP 13 Cb 0.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2uxg h ASP 13 CO 0.01 0.60 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2uxg n GLY 14 N 0.02 0.71 3.75 2.75 0.00 -0.84 -5.09 105.19 106.48 2uxg n GLY 14 Ca -0.02 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 2uxg n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxg s ALA 15 N -1.60 2.65 -0.25 4.61 0.00 -1.26 -0.04 121.76 125.88 2uxg s ALA 15 Ca 0.00 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2uxg s ALA 15 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2uxg s ALA 15 CO 0.00 -1.17 0.21 -1.33 0.00 0.00 0.00 175.76 173.47 2uxg n MET 16 N -1.34 -1.90 -4.14 0.00 2.81 0.11 -4.79 117.12 107.87 2uxg n MET 16 Ca 0.12 1.77 -0.15 0.00 -1.81 0.00 0.00 57.70 57.63 2uxg n MET 16 Cb 0.48 -4.08 -0.12 0.00 -0.71 0.00 0.00 33.22 28.79 2uxg n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2uxg s VAL 17 N -1.61 0.69 0.11 2.03 -7.23 -0.38 -4.15 120.40 109.86 2uxg s VAL 17 Ca 0.09 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 59.04 2uxg s VAL 17 Cb -0.02 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 2uxg s VAL 17 CO 0.51 -0.22 0.80 -0.36 -0.31 0.00 0.00 175.10 175.52 2uxg s PHE 18 N -1.08 3.82 -0.15 2.82 0.08 -1.26 -1.20 117.98 121.00 2uxg s PHE 18 Ca -0.05 1.59 -0.01 0.00 0.12 0.00 0.00 56.93 58.58 2uxg s PHE 18 Cb -0.08 -2.83 0.04 0.00 -0.57 0.00 0.00 43.02 39.57 2uxg s PHE 18 CO 0.01 0.36 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.25 2uxg s GLU 19 N -0.50 1.22 0.72 0.44 2.02 0.54 -2.62 118.70 120.52 2uxg s GLU 19 Ca 0.39 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.86 2uxg s GLU 19 Cb -0.22 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.17 2uxg s GLU 19 CO 0.25 -0.44 1.07 -1.25 0.02 0.00 0.00 175.26 174.92 2uxg s PRO 20 N 1.71 2.66 0.00 0.39 0.04 -1.26 -0.54 135.00 138.00 2uxg s PRO 20 Ca 0.01 1.06 0.25 0.00 0.04 0.00 0.00 61.00 62.36 2uxg s PRO 20 Cb -0.15 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.88 2uxg s PRO 20 CO -0.07 -1.32 1.37 0.00 0.04 0.00 0.00 177.00 177.01 2uxg n ALA 21 N -3.24 3.55 -2.82 8.56 0.00 -1.08 -4.83 120.51 120.65 2uxg n ALA 21 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 2uxg n ALA 21 Cb 0.53 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2uxg n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uxg s SER 22 N -2.78 0.32 -0.08 0.00 1.04 -1.26 -0.53 113.70 110.42 2uxg s SER 22 Ca 0.16 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 2uxg s SER 22 Cb 0.18 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.31 2uxg s SER 22 CO 0.65 0.02 0.17 -0.22 0.98 0.00 0.00 173.24 174.84 2uxg s LEU 23 N -0.11 0.50 -0.25 2.42 2.96 -0.75 -5.00 118.68 118.46 2uxg s LEU 23 Ca 0.01 0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 2uxg s LEU 23 Cb -0.01 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.05 2uxg s LEU 23 CO -0.00 -0.17 0.14 -0.75 -1.32 0.00 0.00 176.35 174.25 2uxg s LYS 24 N 1.42 3.95 0.25 1.98 2.20 -1.26 -0.63 119.74 127.65 2uxg s LYS 24 Ca -0.07 -0.33 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2uxg s LYS 24 Cb -0.11 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2uxg s LYS 24 CO -0.06 -0.02 -0.11 0.14 -0.36 0.00 0.00 175.35 174.93 2uxg s VAL 25 N 1.26 1.78 0.42 4.02 -7.23 0.17 -4.96 120.40 115.86 2uxg s VAL 25 Ca 0.07 -2.19 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 2uxg s VAL 25 Cb -0.14 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.45 2uxg s VAL 25 CO 0.06 -0.43 0.86 0.00 -0.31 0.00 0.00 175.10 175.27 2uxg s ALA 26 N -2.94 3.20 0.21 1.32 0.00 -1.26 -1.80 121.76 120.48 2uxg s ALA 26 Ca 0.27 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.99 2uxg s ALA 26 Cb 0.01 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 2uxg s ALA 26 CO 0.10 0.03 1.41 -2.30 0.00 0.00 0.00 175.76 175.00 2uxg n PRO 27 N -1.05 1.90 -0.02 0.00 -0.02 -1.26 -1.73 135.00 132.83 2uxg n PRO 27 Ca 0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2uxg n PRO 27 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2uxg n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxg n GLY 28 N 2.41 0.96 3.69 -1.23 0.00 0.98 -4.95 105.19 107.05 2uxg n GLY 28 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2uxg n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uxg s ASP 29 N -2.67 3.22 0.16 1.61 1.01 -0.70 -4.74 116.67 114.56 2uxg s ASP 29 Ca 0.00 1.59 0.08 0.00 0.71 0.00 0.00 52.55 54.92 2uxg s ASP 29 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2uxg s ASP 29 CO 0.00 -2.81 -0.16 0.42 0.21 0.00 0.00 175.17 172.83 2uxg s THR 30 N -2.85 1.66 -0.04 -1.27 -4.23 -0.36 -1.58 115.64 106.98 2uxg s THR 30 Ca 0.64 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2uxg s THR 30 Cb -0.19 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.84 2uxg s THR 30 CO 0.58 -0.42 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.45 2uxg s VAL 31 N -2.33 0.92 -0.20 2.29 1.01 -0.29 -0.78 120.40 121.02 2uxg s VAL 31 Ca 0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2uxg s VAL 31 Cb -0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2uxg s VAL 31 CO 0.06 0.29 -0.04 -0.89 0.00 0.00 0.00 175.10 174.52 2uxg s THR 32 N 0.40 3.55 -0.29 3.92 2.01 0.64 -0.98 115.64 124.89 2uxg s THR 32 Ca -0.08 -0.45 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 2uxg s THR 32 Cb -0.12 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2uxg s THR 32 CO 0.02 0.44 0.65 -0.36 -0.69 0.00 0.00 174.62 174.67 2uxg s PHE 33 N 1.15 3.23 -0.29 4.92 0.08 0.12 -1.05 117.98 126.15 2uxg s PHE 33 Ca 0.02 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.77 2uxg s PHE 33 Cb -0.15 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 39.41 2uxg s PHE 33 CO -0.00 -0.44 -0.05 0.42 -0.10 0.00 0.00 175.22 175.05 2uxg s ILE 34 N 2.61 2.34 0.00 0.64 1.01 0.12 -1.40 121.20 126.52 2uxg s ILE 34 Ca 0.26 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 2uxg s ILE 34 Cb -0.15 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 2uxg s ILE 34 CO 0.11 -0.19 1.75 -2.84 0.00 0.00 0.00 174.94 173.76 2uxg s PRO 35 N 1.08 4.17 -0.01 2.79 0.02 -1.26 -1.78 135.00 140.00 2uxg s PRO 35 Ca -0.03 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 2uxg s PRO 35 Cb -0.20 -3.94 -0.33 0.00 0.02 0.00 0.00 34.50 30.05 2uxg s PRO 35 CO -0.05 -0.85 0.81 1.15 -0.33 0.00 0.00 177.00 177.73 2uxg h THR 36 N 5.41 1.09 -2.75 0.99 2.02 -1.50 -3.46 112.91 114.71 2uxg h THR 36 Ca -0.43 -2.59 -0.58 0.00 0.77 0.00 0.00 66.41 63.58 2uxg h THR 36 Cb 1.20 2.89 -0.08 0.00 -1.74 0.00 0.00 68.15 70.42 2uxg h THR 36 CO 0.94 0.84 -0.59 -1.81 0.37 0.00 0.00 175.52 175.28 2uxg s ASP 37 N -7.43 5.36 0.58 4.18 1.01 -1.08 -5.05 116.67 114.23 2uxg s ASP 37 Ca -0.13 -0.18 -0.17 0.00 0.71 0.00 0.00 52.55 52.78 2uxg s ASP 37 Cb 0.05 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 2uxg s ASP 37 CO 0.90 0.07 1.08 -0.54 0.21 0.00 0.00 175.17 176.89 2uxg s LYS 38 N -3.06 3.31 0.00 8.23 1.02 -1.26 -4.33 119.74 123.66 2uxg s LYS 38 Ca 0.30 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.63 2uxg s LYS 38 Cb -0.10 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2uxg s LYS 38 CO 0.22 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 2uxg n GLY 39 N -0.57 0.87 3.41 -3.33 0.00 -1.26 -5.00 105.19 99.32 2uxg n GLY 39 Ca 0.10 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2uxg n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uxg s HIS 40 N -2.00 2.30 0.06 1.61 3.76 -1.26 -4.80 115.29 114.95 2uxg s HIS 40 Ca 0.00 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2uxg s HIS 40 Cb 0.00 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.52 2uxg s HIS 40 CO 0.00 0.46 0.07 0.27 -0.85 0.00 0.00 174.74 174.69 2uxg n ASN 41 N 0.44 -0.20 -3.95 1.40 6.94 -1.26 -0.71 115.26 117.92 2uxg n ASN 41 Ca -0.14 -1.31 -0.14 0.00 -0.02 0.00 0.00 54.58 52.97 2uxg n ASN 41 Cb 0.55 0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 38.22 2uxg n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2uxg s VAL 42 N -2.44 0.29 0.04 3.53 0.11 -1.26 -4.31 120.40 116.36 2uxg s VAL 42 Ca 0.05 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 2uxg s VAL 42 Cb -0.00 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2uxg s VAL 42 CO 0.04 -0.05 0.41 -1.83 -3.33 0.00 0.00 175.10 170.34 2uxg s GLU 43 N -0.45 0.90 0.49 1.54 -1.05 0.04 -0.30 118.70 119.88 2uxg s GLU 43 Ca -0.02 -0.33 -0.22 0.00 -0.15 0.00 0.00 54.97 54.25 2uxg s GLU 43 Cb -0.03 0.40 -0.07 0.00 -0.44 0.00 0.00 34.13 33.99 2uxg s GLU 43 CO -0.00 -0.30 1.19 0.95 0.95 0.00 0.00 175.26 178.04 2uxg s THR 44 N -2.33 2.95 0.03 1.83 -4.23 -0.59 -0.54 115.64 112.77 2uxg s THR 44 Ca -0.06 0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 60.86 2uxg s THR 44 Cb -0.01 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2uxg s THR 44 CO -0.01 -0.04 0.88 -0.63 -0.54 0.00 0.00 174.62 174.28 2uxg s ILE 45 N -1.55 4.75 -0.28 2.99 1.01 0.68 -4.77 121.20 124.03 2uxg s ILE 45 Ca 0.67 1.87 -0.42 0.00 0.00 0.00 0.00 60.65 62.76 2uxg s ILE 45 Cb -0.29 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 37.75 2uxg s ILE 45 CO 0.35 0.27 1.32 1.17 0.00 0.00 0.00 174.94 178.05 2uxg n LYS 46 N 3.29 0.00 -0.91 2.79 4.81 -1.26 -1.29 118.16 125.59 2uxg n LYS 46 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2uxg n LYS 46 Cb 0.50 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2uxg n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uxg n GLY 47 N 2.82 1.16 1.32 3.14 0.00 -1.26 -4.90 105.19 107.47 2uxg n GLY 47 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 2uxg n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2uxg n MET 48 N -2.00 2.13 -4.15 1.61 2.81 -0.41 -4.83 117.12 112.28 2uxg n MET 48 Ca 0.00 -3.37 -0.14 0.00 -1.81 0.00 0.00 57.70 52.38 2uxg n MET 48 Cb 0.00 -1.90 -0.11 0.00 -0.71 0.00 0.00 33.22 30.50 2uxg n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2uxg s ILE 49 N -3.57 0.86 0.80 2.02 -4.36 -1.26 -0.54 121.20 115.15 2uxg s ILE 49 Ca 0.46 -1.50 -0.12 0.00 -0.26 0.00 0.00 60.65 59.23 2uxg s ILE 49 Cb 0.41 -1.19 0.08 0.00 1.25 0.00 0.00 42.46 43.01 2uxg s ILE 49 CO -0.01 -0.50 1.14 -2.84 0.24 0.00 0.00 174.94 172.97 2uxg s PRO 50 N -2.48 1.84 0.36 0.37 0.02 -1.25 -4.91 135.00 128.94 2uxg s PRO 50 Ca 0.02 1.48 -0.28 0.00 0.02 0.00 0.00 61.00 62.23 2uxg s PRO 50 Cb -0.05 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 2uxg s PRO 50 CO 0.00 -2.01 1.49 -0.51 -0.33 0.00 0.00 177.00 175.65 2uxg s ASP 51 N -2.71 6.37 0.00 2.53 1.01 -1.26 -1.80 116.67 120.81 2uxg s ASP 51 Ca 0.67 3.02 0.00 0.00 0.71 0.00 0.00 52.55 56.95 2uxg s ASP 51 Cb -0.22 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.04 2uxg s ASP 51 CO 0.52 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.65 2uxg n GLY 52 N 0.75 3.15 3.90 0.21 0.00 -1.26 -4.79 105.19 107.15 2uxg n GLY 52 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2uxg n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxg s ALA 53 N -2.47 3.53 0.09 4.61 0.00 -0.75 -4.80 121.76 121.98 2uxg s ALA 53 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2uxg s ALA 53 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2uxg s ALA 53 CO 0.00 0.12 0.06 -1.21 0.00 0.00 0.00 175.76 174.72 2uxg s GLU 54 N -3.75 2.77 0.78 0.00 0.41 -1.26 -4.87 118.70 112.78 2uxg s GLU 54 Ca 0.46 -0.75 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 2uxg s GLU 54 Cb -0.10 -2.66 0.06 0.00 -1.78 0.00 0.00 34.13 29.64 2uxg s GLU 54 CO 0.32 0.55 1.09 0.00 -0.49 0.00 0.00 175.26 176.72 2uxg s ALA 55 N -1.38 2.30 0.07 5.21 0.00 -1.26 -5.04 121.76 121.66 2uxg s ALA 55 Ca 0.28 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 2uxg s ALA 55 Cb -0.12 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.89 2uxg s ALA 55 CO 0.21 -1.66 0.42 -0.59 0.00 0.00 0.00 175.76 174.14 2uxg s PHE 56 N -3.08 -0.26 -0.13 0.00 -0.12 -1.26 -5.01 117.98 108.12 2uxg s PHE 56 Ca 0.60 0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 57.53 2uxg s PHE 56 Cb -0.15 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.54 2uxg s PHE 56 CO 0.55 -0.63 0.32 0.21 -0.05 0.00 0.00 175.22 175.62 2uxg s LYS 57 N -2.97 0.31 0.47 1.99 2.20 -1.26 -1.54 119.74 118.94 2uxg s LYS 57 Ca -0.02 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.23 2uxg s LYS 57 Cb 0.00 -0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2uxg s LYS 57 CO -0.06 -0.13 0.65 -1.54 -0.36 0.00 0.00 175.35 173.91 2uxg s SER 58 N 1.01 5.54 0.42 1.43 1.04 0.59 -5.00 113.70 118.73 2uxg s SER 58 Ca -0.07 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.05 2uxg s SER 58 Cb -0.08 -0.81 -0.06 0.00 0.10 0.00 0.00 66.02 65.18 2uxg s SER 58 CO -0.07 -0.89 0.77 -0.54 0.98 0.00 0.00 173.24 173.49 2uxg s LYS 59 N -4.51 3.72 0.17 4.02 1.02 -1.26 -4.59 119.74 118.31 2uxg s LYS 59 Ca 0.55 0.40 -0.34 0.00 0.02 0.00 0.00 55.97 56.60 2uxg s LYS 59 Cb -0.10 -2.39 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 2uxg s LYS 59 CO 0.35 -0.07 1.53 -0.89 -0.92 0.00 0.00 175.35 175.35 2uxg n ILE 60 N -1.51 0.13 -0.91 2.17 2.08 -1.26 -2.00 119.36 118.06 2uxg n ILE 60 Ca 0.02 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2uxg n ILE 60 Cb 0.54 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 2uxg n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2uxg n ASN 61 N 3.17 -0.62 -4.75 4.38 3.02 0.12 -4.96 115.26 115.62 2uxg n ASN 61 Ca 0.16 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 2uxg n ASN 61 Cb 0.28 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 2uxg n ASN 61 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2uxg s GLU 62 N -0.25 4.47 0.01 3.52 2.12 -0.85 -4.79 118.70 122.94 2uxg s GLU 62 Ca 0.00 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 2uxg s GLU 62 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 2uxg s GLU 62 CO 0.00 0.28 1.33 -0.80 -0.54 0.00 0.00 175.26 175.53 2uxg s ASN 63 N -0.03 6.92 -0.05 -1.70 0.01 -1.26 -4.54 114.94 114.29 2uxg s ASN 63 Ca 0.38 2.07 -0.01 0.00 -0.71 0.00 0.00 52.86 54.58 2uxg s ASN 63 Cb -0.20 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.92 2uxg s ASN 63 CO 0.22 -0.65 0.03 -0.47 -1.51 0.00 0.00 177.10 174.73 2uxg s TYR 64 N 2.00 0.29 -0.12 2.20 5.04 -0.49 -4.98 117.35 121.30 2uxg s TYR 64 Ca 0.62 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 55.30 2uxg s TYR 64 Cb -0.31 -0.58 -0.03 0.00 0.35 0.00 0.00 41.96 41.39 2uxg s TYR 64 CO 0.26 -0.23 0.01 0.21 -1.34 0.00 0.00 175.55 174.46 2uxg s LYS 65 N 1.97 3.29 -0.01 4.97 2.20 -1.26 0.15 119.74 131.05 2uxg s LYS 65 Ca 0.03 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 2uxg s LYS 65 Cb -0.12 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2uxg s LYS 65 CO -0.04 0.54 -0.11 0.08 -0.36 0.00 0.00 175.35 175.46 2uxg s VAL 66 N -0.44 0.89 -0.22 4.02 1.01 -0.15 -5.00 120.40 120.51 2uxg s VAL 66 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 2uxg s VAL 66 Cb -0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2uxg s VAL 66 CO 0.02 0.26 0.13 -0.89 0.00 0.00 0.00 175.10 174.62 2uxg s THR 67 N -0.21 5.23 -0.26 3.92 2.01 -1.26 -1.13 115.64 123.94 2uxg s THR 67 Ca 0.03 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 2uxg s THR 67 Cb -0.05 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2uxg s THR 67 CO -0.00 0.39 0.07 -0.36 -0.69 0.00 0.00 174.62 174.03 2uxg s PHE 68 N 0.79 3.09 -0.03 4.92 0.08 -0.61 -4.94 117.98 121.29 2uxg s PHE 68 Ca 0.07 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2uxg s PHE 68 Cb -0.13 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2uxg s PHE 68 CO 0.02 -0.42 -0.03 0.25 -0.10 0.00 0.00 175.22 174.94 2uxg n THR 69 N 4.91 0.16 -2.19 0.64 -2.24 -1.26 -0.01 114.28 114.28 2uxg n THR 69 Ca -0.16 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2uxg n THR 69 Cb 0.50 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2uxg n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uxg s ALA 70 N -2.06 3.53 0.37 6.98 0.00 -1.26 -4.66 121.76 124.67 2uxg s ALA 70 Ca -0.04 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 2uxg s ALA 70 Cb 0.01 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2uxg s ALA 70 CO 0.06 -0.56 1.05 -1.25 0.00 0.00 0.00 175.76 175.07 2uxg s PRO 71 N -0.36 4.27 0.00 0.00 0.04 -1.26 -4.69 135.00 133.00 2uxg s PRO 71 Ca 0.56 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2uxg s PRO 71 Cb -0.37 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2uxg s PRO 71 CO 0.40 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.80 2uxg n GLY 72 N 0.52 0.93 3.78 0.56 0.00 -0.65 -4.73 105.19 105.60 2uxg n GLY 72 Ca 0.04 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2uxg n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uxg s VAL 73 N -1.89 4.48 -0.21 1.61 -7.23 -1.26 -0.58 120.40 115.33 2uxg s VAL 73 Ca 0.00 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2uxg s VAL 73 Cb 0.00 -3.23 0.06 0.00 0.56 0.00 0.00 36.38 33.77 2uxg s VAL 73 CO 0.00 -0.01 0.00 -0.31 -0.31 0.00 0.00 175.10 174.48 2uxg s TYR 74 N -1.59 1.53 -0.03 2.82 1.51 0.77 -3.92 117.35 118.44 2uxg s TYR 74 Ca 0.30 -1.19 -0.26 0.00 -1.01 0.00 0.00 57.07 54.91 2uxg s TYR 74 Cb -0.11 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 2uxg s TYR 74 CO 0.23 -0.67 0.83 0.20 -1.11 0.00 0.00 175.55 175.02 2uxg s GLY 75 N 1.69 2.76 0.16 0.71 0.00 0.30 -1.69 107.32 111.26 2uxg s GLY 75 Ca -0.03 0.32 0.10 0.00 0.00 0.00 0.00 44.72 45.12 2uxg s GLY 75 CO -0.07 1.39 -0.23 -1.34 0.00 0.00 0.00 173.10 172.85 2uxg s VAL 76 N 0.79 2.13 0.21 1.40 -7.23 0.03 -0.23 120.40 117.50 2uxg s VAL 76 Ca 0.44 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2uxg s VAL 76 Cb -0.19 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 2uxg s VAL 76 CO 0.23 -0.12 0.22 -1.59 -0.31 0.00 0.00 175.10 173.52 2uxg s LYS 77 N -2.50 1.28 -0.18 4.82 -2.85 0.30 -1.32 119.74 119.29 2uxg s LYS 77 Ca 0.17 -1.53 -0.01 0.00 -1.00 0.00 0.00 55.97 53.59 2uxg s LYS 77 Cb -0.08 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2uxg s LYS 77 CO 0.08 -0.45 -0.12 0.00 0.10 0.00 0.00 175.35 174.95 2uxg h THR 79 N 5.73 0.14 0.00 0.00 2.02 -1.90 -2.16 112.91 116.73 2uxg h THR 79 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2uxg h THR 79 Cb 1.17 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2uxg h THR 79 CO 0.60 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.68 2uxg n PRO 80 N -5.44 0.15 -3.86 6.66 -0.04 -1.26 -4.61 135.00 126.61 2uxg n PRO 80 Ca -0.04 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 2uxg n PRO 80 Cb 0.36 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 2uxg n PRO 80 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2uxg s HIS 81 N -2.73 2.46 0.31 0.54 3.76 -0.81 -5.02 115.29 113.80 2uxg s HIS 81 Ca 0.13 -2.13 -0.00 0.00 -0.15 0.00 0.00 55.06 52.91 2uxg s HIS 81 Cb 0.11 -2.07 0.49 0.00 1.11 0.00 0.00 32.58 32.22 2uxg s HIS 81 CO 0.27 -0.88 1.92 -1.00 -0.85 0.00 0.00 174.74 174.20 2uxg h PRO 82 N 7.92 0.89 -0.01 8.40 0.13 -1.81 -1.49 132.00 146.02 2uxg h PRO 82 Ca -0.11 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2uxg h PRO 82 Cb 1.03 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2uxg h PRO 82 CO 0.47 0.68 -0.01 1.19 -0.23 0.00 0.00 178.00 180.10 2uxg n PHE 83 N -4.36 0.00 -3.12 1.56 3.72 -1.26 -4.72 117.46 109.29 2uxg n PHE 83 Ca 0.06 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.02 2uxg n PHE 83 Cb 0.12 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2uxg n PHE 83 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2uxg s MET 84 N -2.05 3.08 0.15 -1.08 1.75 -0.56 -4.58 119.30 116.00 2uxg s MET 84 Ca 0.43 -1.13 -0.04 0.00 -1.25 0.00 0.00 55.69 53.70 2uxg s MET 84 Cb 0.21 -4.20 -0.03 0.00 2.84 0.00 0.00 34.83 33.66 2uxg s MET 84 CO 0.37 -1.43 0.15 0.14 -0.65 0.00 0.00 175.02 173.59 2uxg s VAL 85 N 2.73 0.08 0.24 10.11 -7.23 -1.26 -1.41 120.40 123.67 2uxg s VAL 85 Ca 0.13 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 2uxg s VAL 85 Cb -0.22 -1.99 0.06 0.00 0.56 0.00 0.00 36.38 34.79 2uxg s VAL 85 CO 0.09 -0.38 0.89 -0.83 -0.31 0.00 0.00 175.10 174.55 2uxg s GLY 86 N -3.02 0.03 -0.04 2.32 0.00 -0.43 -4.50 107.32 101.68 2uxg s GLY 86 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.64 2uxg s GLY 86 CO 0.02 0.48 0.06 0.14 0.00 0.00 0.00 173.10 173.79 2uxg s VAL 87 N -2.91 -0.11 -0.19 1.40 1.01 0.31 -0.79 120.40 119.12 2uxg s VAL 87 Ca 0.15 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2uxg s VAL 87 Cb -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2uxg s VAL 87 CO 0.06 0.15 0.17 -0.69 0.00 0.00 0.00 175.10 174.80 2uxg s VAL 88 N 1.86 5.38 -0.10 2.92 1.01 -0.68 -1.81 120.40 128.99 2uxg s VAL 88 Ca 0.01 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2uxg s VAL 88 Cb -0.12 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2uxg s VAL 88 CO -0.03 0.43 -0.13 -1.58 0.00 0.00 0.00 175.10 173.79 2uxg s GLN 89 N 0.34 3.08 -0.25 2.72 0.74 0.20 -0.16 119.66 126.33 2uxg s GLN 89 Ca 0.10 -0.68 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 2uxg s GLN 89 Cb -0.12 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2uxg s GLN 89 CO -0.00 0.36 0.06 0.08 -0.55 0.00 0.00 175.29 175.24 2uxg s VAL 90 N -0.04 4.19 0.03 1.34 1.01 0.26 0.46 120.40 127.64 2uxg s VAL 90 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2uxg s VAL 90 Cb -0.14 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2uxg s VAL 90 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2uxg n GLY 91 N 4.91 -2.14 4.02 4.51 0.00 -0.75 -1.64 105.19 114.11 2uxg n GLY 91 Ca -0.16 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 2uxg n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uxg s ASP 92 N -3.10 5.45 -1.14 1.61 1.01 -1.26 -4.71 116.67 114.53 2uxg s ASP 92 Ca 0.00 -0.58 -0.25 0.00 0.71 0.00 0.00 52.55 52.42 2uxg s ASP 92 Cb 0.00 -0.30 0.02 0.00 1.01 0.00 0.00 42.92 43.65 2uxg s ASP 92 CO 0.00 -0.98 0.73 0.00 0.21 0.00 0.00 175.17 175.14 2uxg n ALA 93 N -1.99 -2.60 -1.77 5.23 0.00 -1.26 -4.88 120.51 113.24 2uxg n ALA 93 Ca 0.11 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.77 2uxg n ALA 93 Cb 0.60 -3.18 -0.00 0.00 0.00 0.00 0.00 19.45 16.87 2uxg n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2uxg s PRO 94 N -6.47 3.87 0.04 0.00 0.04 -1.26 -4.91 135.00 126.31 2uxg s PRO 94 Ca 0.44 2.10 0.24 0.00 0.04 0.00 0.00 61.00 63.82 2uxg s PRO 94 Cb -0.20 -2.66 0.33 0.00 0.04 0.00 0.00 34.50 32.01 2uxg s PRO 94 CO 0.91 -0.56 1.28 0.00 0.04 0.00 0.00 177.00 178.68 2uxg n ALA 95 N -0.06 3.41 -1.50 8.56 0.00 -1.26 -4.19 120.51 125.48 2uxg n ALA 95 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 2uxg n ALA 95 Cb 0.44 -1.09 0.20 0.00 0.00 0.00 0.00 19.45 19.01 2uxg n ALA 95 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2uxg n ASN 96 N -1.75 2.36 -0.27 0.00 6.94 -1.26 -4.71 115.26 116.57 2uxg n ASN 96 Ca 0.04 -3.82 0.04 0.00 -0.02 0.00 0.00 54.58 50.82 2uxg n ASN 96 Cb 0.38 -0.62 0.18 0.00 -2.36 0.00 0.00 39.78 37.37 2uxg n ASN 96 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2uxg h LEU 97 N 1.02 0.46 -1.80 -4.53 5.85 -1.95 -1.23 115.31 113.14 2uxg h LEU 97 Ca 0.19 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2uxg h LEU 97 Cb 1.54 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 2uxg h LEU 97 CO 0.33 0.22 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.23 2uxg h GLU 98 N 0.59 0.00 -0.49 1.25 4.39 -1.94 -2.31 114.58 116.08 2uxg h GLU 98 Ca 0.41 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 2uxg h GLU 98 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2uxg h GLU 98 CO -0.33 0.10 0.17 0.00 -1.16 0.00 0.00 179.01 177.79 2uxg h ALA 99 N 1.90 1.39 0.00 3.43 0.00 -1.55 0.31 119.26 124.74 2uxg h ALA 99 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2uxg h ALA 99 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2uxg h ALA 99 CO 0.01 0.46 -0.16 0.28 0.00 0.00 0.00 179.25 179.84 2uxg h VAL 100 N 0.70 1.54 -0.69 0.00 2.07 -1.52 -3.36 116.25 114.98 2uxg h VAL 100 Ca 0.17 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.45 2uxg h VAL 100 Cb 0.18 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2uxg h VAL 100 CO -0.01 0.52 0.34 0.11 0.02 0.00 0.00 177.57 178.55 2uxg h LYS 101 N -1.00 0.99 -0.02 1.57 1.57 -1.43 -3.04 116.57 115.21 2uxg h LYS 101 Ca -0.04 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2uxg h LYS 101 Cb 0.96 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2uxg h LYS 101 CO -0.03 0.78 0.00 0.41 -0.57 0.00 0.00 179.45 180.04 2uxg n GLY 102 N -0.98 -0.60 3.78 3.86 0.00 0.10 -4.88 105.19 106.46 2uxg n GLY 102 Ca 0.06 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2uxg n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxg s ALA 103 N -1.98 2.54 -0.62 4.61 0.00 -1.15 -4.99 121.76 120.17 2uxg s ALA 103 Ca 0.40 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2uxg s ALA 103 Cb 0.19 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 20.17 2uxg s ALA 103 CO 0.32 -1.16 0.40 0.15 0.00 0.00 0.00 175.76 175.47 2uxg s LYS 104 N -4.08 2.32 0.52 0.00 -0.14 -1.26 -5.05 119.74 112.05 2uxg s LYS 104 Ca 0.66 -2.88 0.08 0.00 -1.36 0.00 0.00 55.97 52.48 2uxg s LYS 104 Cb -0.20 -3.47 0.04 0.00 -1.68 0.00 0.00 37.83 32.53 2uxg s LYS 104 CO 0.40 -1.18 0.57 -0.80 -0.76 0.00 0.00 175.35 173.58 2uxg s ASN 105 N -0.46 5.01 0.43 2.83 0.01 -1.26 -5.07 114.94 116.44 2uxg s ASN 105 Ca 0.20 -0.90 -0.24 0.00 -0.71 0.00 0.00 52.86 51.21 2uxg s ASN 105 Cb -0.17 0.05 -0.10 0.00 0.41 0.00 0.00 41.25 41.44 2uxg s ASN 105 CO -0.06 -1.06 1.14 -2.65 -1.51 0.00 0.00 177.10 172.95 2uxg n PRO 106 N -1.91 1.60 -0.27 -0.60 -0.02 -1.26 -4.64 135.00 127.90 2uxg n PRO 106 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2uxg n PRO 106 Cb 0.62 -2.22 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 2uxg n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2uxg h LYS 107 N 1.74 -0.04 -0.48 -0.52 1.79 -1.98 0.91 116.57 117.99 2uxg h LYS 107 Ca -0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 2uxg h LYS 107 Cb 1.32 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2uxg h LYS 107 CO 0.58 -0.03 0.26 -0.22 -1.08 0.00 0.00 179.45 178.96 2uxg h LYS 108 N -0.04 0.67 -0.12 3.15 1.63 -1.98 0.16 116.57 120.05 2uxg h LYS 108 Ca 0.34 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2uxg h LYS 108 Cb 0.58 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2uxg h LYS 108 CO -0.81 0.54 0.06 0.00 -3.45 0.00 0.00 179.45 175.79 2uxg h ALA 109 N 1.10 0.15 -0.87 5.00 0.00 -1.56 -2.57 119.26 120.50 2uxg h ALA 109 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2uxg h ALA 109 Cb 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2uxg h ALA 109 CO -0.03 -0.31 0.49 0.37 0.00 0.00 0.00 179.25 179.78 2uxg h GLN 110 N 0.09 1.21 -0.39 0.00 5.75 -0.34 -1.36 115.11 120.06 2uxg h GLN 110 Ca 0.04 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 2uxg h GLN 110 Cb 0.08 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 2uxg h GLN 110 CO -0.01 0.87 -0.05 1.05 -2.65 0.00 0.00 178.83 178.05 2uxg h GLU 111 N 1.21 0.65 -0.54 1.69 4.11 -0.66 -0.13 114.58 120.92 2uxg h GLU 111 Ca 0.31 -0.18 -0.08 0.00 0.07 0.00 0.00 59.36 59.48 2uxg h GLU 111 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2uxg h GLU 111 CO -0.05 0.70 0.02 0.00 0.07 0.00 0.00 179.01 179.75 2uxg h ARG 112 N 0.61 0.93 -0.15 1.06 3.08 -1.11 0.71 114.38 119.51 2uxg h ARG 112 Ca 0.12 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2uxg h ARG 112 Cb 0.45 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2uxg h ARG 112 CO 0.02 0.93 0.05 -0.07 -1.07 0.00 0.00 179.97 179.84 2uxg h LEU 113 N 0.81 0.21 -0.58 3.04 3.38 -0.99 -1.54 115.31 119.64 2uxg h LEU 113 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2uxg h LEU 113 Cb 0.50 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2uxg h LEU 113 CO 0.02 0.34 0.35 0.44 0.09 0.00 0.00 178.44 179.68 2uxg h ASP 114 N 0.07 0.70 -0.74 -0.43 3.32 -0.86 -0.97 116.42 117.50 2uxg h ASP 114 Ca 0.05 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2uxg h ASP 114 Cb 0.20 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2uxg h ASP 114 CO -0.00 0.55 0.47 0.00 -1.72 0.00 0.00 179.24 178.54 2uxg h ALA 115 N 1.18 0.97 -0.41 3.45 0.00 -0.84 -1.35 119.26 122.26 2uxg h ALA 115 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2uxg h ALA 115 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2uxg h ALA 115 CO -0.04 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.73 2uxg h ALA 116 N 1.31 0.52 -0.83 0.00 0.00 -0.74 -0.05 119.26 119.47 2uxg h ALA 116 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2uxg h ALA 116 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2uxg h ALA 116 CO -0.11 0.00 0.47 -0.07 0.00 0.00 0.00 179.25 179.55 2uxg h LEU 117 N 0.54 1.01 -0.32 0.00 3.38 -0.88 -1.44 115.31 117.60 2uxg h LEU 117 Ca 0.15 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 2uxg h LEU 117 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2uxg h LEU 117 CO -0.03 0.80 -0.54 0.00 0.09 0.00 0.00 178.44 178.75 2uxg h ALA 118 N 1.37 0.49 0.00 1.53 0.00 -0.93 -2.37 119.26 119.35 2uxg h ALA 118 Ca 0.29 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2uxg h ALA 118 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2uxg h ALA 118 CO -0.05 0.68 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 2uxg h ALA 119 N 0.71 1.59 0.00 0.00 0.00 -0.64 -1.33 119.26 119.60 2uxg h ALA 119 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2uxg h ALA 119 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2uxg h ALA 119 CO 0.12 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2uxg n LEU 120 N -4.16 0.00 0.00 0.00 4.77 -0.57 -4.86 117.00 112.17 2uxg n LEU 120 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2uxg n LEU 120 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2uxg n LEU 120 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2uxg n GLY 121 N 0.56 0.57 0.38 -0.72 0.00 -0.50 -5.06 105.19 100.42 2uxg n GLY 121 Ca 0.08 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2uxg n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02