#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uex s LEU 5 N 0.00 3.94 0.01 0.00 0.05 -1.26 -5.02 118.68 116.40 1uex s LEU 5 Ca 0.00 0.10 -0.10 0.00 0.05 0.00 0.00 54.13 54.18 1uex s LEU 5 Cb 0.00 -2.49 -0.05 0.00 -2.05 0.00 0.00 46.19 41.60 1uex s LEU 5 CO 0.00 0.21 0.24 -2.65 -0.55 0.00 0.00 176.35 173.60 1uex n PRO 6 N 0.69 0.00 0.00 1.48 -0.02 -1.26 -1.73 135.00 134.16 1uex n PRO 6 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1uex n PRO 6 Cb 0.52 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 1uex n PRO 6 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1uex n ASP 7 N 0.42 0.00 -4.71 2.55 4.64 -1.26 -4.98 116.55 113.21 1uex n ASP 7 Ca 0.05 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.11 1uex n ASP 7 Cb 0.03 -0.33 -0.09 0.00 -1.04 0.00 0.00 41.12 39.69 1uex n ASP 7 CO 0.00 0.00 0.00 0.26 -0.82 0.00 0.00 177.20 176.64 1uex s TRP 8 N -2.20 3.31 0.20 -0.67 0.52 -0.70 -4.79 118.94 114.61 1uex s TRP 8 Ca 0.00 0.23 -0.15 0.00 0.02 0.00 0.00 56.10 56.20 1uex s TRP 8 Cb 0.00 -1.96 -0.07 0.00 -1.15 0.00 0.00 33.47 30.29 1uex s TRP 8 CO 0.00 0.40 0.61 -1.12 0.02 0.00 0.00 176.95 176.86 1uex s SER 9 N -0.37 6.83 -0.11 2.95 0.01 -0.25 -4.51 113.70 118.25 1uex s SER 9 Ca 0.09 1.14 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 1uex s SER 9 Cb -0.12 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1uex s SER 9 CO 0.02 0.02 0.06 -0.55 0.41 0.00 0.00 173.24 173.20 1uex s SER 10 N -1.89 5.72 -0.28 2.44 0.15 -1.26 -0.49 113.70 118.09 1uex s SER 10 Ca 0.43 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 57.32 1uex s SER 10 Cb -0.14 -1.75 0.17 0.00 -1.71 0.00 0.00 66.02 62.59 1uex s SER 10 CO 0.20 0.37 0.55 -0.47 1.20 0.00 0.00 173.24 175.09 1uex s TYR 11 N -0.83 -1.39 -0.70 3.44 6.14 0.53 -4.99 117.35 119.55 1uex s TYR 11 Ca 0.13 1.57 -0.11 0.00 0.64 0.00 0.00 57.07 59.30 1uex s TYR 11 Cb -0.12 0.46 0.02 0.00 0.42 0.00 0.00 41.96 42.74 1uex s TYR 11 CO 0.03 -0.81 0.63 1.63 0.64 0.00 0.00 175.55 177.66 1uex n LYS 12 N 5.42 -1.66 -0.71 4.97 5.02 -1.26 -1.58 118.16 128.35 1uex n LYS 12 Ca -0.03 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1uex n LYS 12 Cb 0.51 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1uex n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uex n GLY 13 N -1.22 0.20 3.40 0.72 0.00 -1.26 -4.95 105.19 102.07 1uex n GLY 13 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1uex n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uex s HIS 14 N -1.58 1.91 -0.07 1.61 3.76 -0.62 -2.41 115.29 117.90 1uex s HIS 14 Ca 0.00 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1uex s HIS 14 Cb 0.00 -0.92 0.01 0.00 1.11 0.00 0.00 32.58 32.78 1uex s HIS 14 CO 0.00 0.44 -0.15 0.00 -0.85 0.00 0.00 174.74 174.17 1uex s TYR 16 N 0.47 1.77 -0.05 0.00 2.02 0.36 -2.20 117.35 119.72 1uex s TYR 16 Ca -0.13 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1uex s TYR 16 Cb -0.15 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1uex s TYR 16 CO 0.04 -0.03 -0.00 0.21 -1.57 0.00 0.00 175.55 174.20 1uex s LYS 17 N -0.46 0.49 -0.05 -0.62 2.20 -1.04 -1.09 119.74 119.16 1uex s LYS 17 Ca 0.08 0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.56 1uex s LYS 17 Cb -0.08 -0.73 -0.05 0.00 -1.51 0.00 0.00 37.83 35.47 1uex s LYS 17 CO -0.01 -0.19 0.55 0.08 -0.36 0.00 0.00 175.35 175.42 1uex s VAL 18 N 1.40 5.04 -0.15 4.02 1.01 -1.26 -1.39 120.40 129.06 1uex s VAL 18 Ca -0.04 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1uex s VAL 18 Cb -0.13 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1uex s VAL 18 CO -0.03 0.38 -0.11 -0.36 0.00 0.00 0.00 175.10 174.99 1uex s PHE 19 N 0.16 2.86 -0.49 5.22 0.40 0.90 -4.97 117.98 122.06 1uex s PHE 19 Ca 0.29 -0.73 0.24 0.00 -0.60 0.00 0.00 56.93 56.13 1uex s PHE 19 Cb -0.17 -1.92 0.27 0.00 0.51 0.00 0.00 43.02 41.72 1uex s PHE 19 CO 0.14 -0.30 1.31 -0.22 0.70 0.00 0.00 175.22 176.86 1uex h LYS 20 N 7.08 0.00 -0.43 0.44 1.63 -1.95 -0.60 116.57 122.74 1uex h LYS 20 Ca -0.31 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1uex h LYS 20 Cb 1.20 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 1uex h LYS 20 CO 0.58 0.00 1.09 -0.24 -3.45 0.00 0.00 179.45 177.43 1uex h VAL 21 N 0.00 0.00 -5.21 2.00 3.04 -1.93 -3.42 116.25 110.73 1uex h VAL 21 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1uex h VAL 21 Cb 0.86 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 1uex h VAL 21 CO 0.00 0.00 -1.17 -0.62 -1.01 0.00 0.00 177.57 174.77 1uex n GLU 22 N -2.81 -3.61 -4.50 4.17 1.02 -1.26 -4.94 120.64 108.71 1uex n GLU 22 Ca 0.10 2.85 -0.24 0.00 -0.02 0.00 0.00 57.16 59.85 1uex n GLU 22 Cb 1.22 -4.87 -0.09 0.00 -0.02 0.00 0.00 31.44 27.68 1uex n GLU 22 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1uex s LYS 23 N -1.23 1.82 0.88 3.49 2.20 -0.85 -4.52 119.74 121.54 1uex s LYS 23 Ca -0.10 -2.08 -0.13 0.00 -0.36 0.00 0.00 55.97 53.31 1uex s LYS 23 Cb 0.01 -0.77 0.12 0.00 -1.51 0.00 0.00 37.83 35.68 1uex s LYS 23 CO 0.72 -0.35 1.16 0.95 -0.36 0.00 0.00 175.35 177.47 1uex s THR 24 N -3.24 1.99 0.03 3.43 -4.23 -1.26 0.01 115.64 112.37 1uex s THR 24 Ca 0.28 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.52 1uex s THR 24 Cb 0.05 -2.85 -0.17 0.00 1.34 0.00 0.00 72.50 70.87 1uex s THR 24 CO 0.14 0.00 1.38 -0.25 -0.54 0.00 0.00 174.62 175.35 1uex h TRP 25 N -1.36 -0.48 -0.05 3.99 7.01 -1.74 0.64 115.95 123.95 1uex h TRP 25 Ca -0.48 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.49 1uex h TRP 25 Cb 1.33 0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.54 1uex h TRP 25 CO 0.17 -0.19 -0.06 0.00 -2.79 0.00 0.00 178.44 175.58 1uex h ALA 26 N -0.22 1.82 0.17 2.65 0.00 -1.94 -1.74 119.26 119.99 1uex h ALA 26 Ca -0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1uex h ALA 26 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uex h ALA 26 CO 0.09 0.14 -1.43 -0.44 0.00 0.00 0.00 179.25 177.61 1uex h ASP 27 N 0.07 0.56 -0.79 0.00 3.45 -1.93 -2.72 116.42 115.07 1uex h ASP 27 Ca 0.02 -0.65 -0.03 0.00 0.43 0.00 0.00 57.03 56.79 1uex h ASP 27 Cb 0.15 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.70 1uex h ASP 27 CO 0.01 1.52 0.39 0.00 -1.57 0.00 0.00 179.24 179.59 1uex h ALA 28 N 0.39 1.19 -0.14 3.45 0.00 -0.50 0.38 119.26 124.03 1uex h ALA 28 Ca -0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1uex h ALA 28 Cb 2.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1uex h ALA 28 CO 0.21 0.63 -0.07 1.49 0.00 0.00 0.00 179.25 181.51 1uex h GLU 29 N 1.13 0.29 -0.85 0.00 4.57 -1.41 -0.99 114.58 117.32 1uex h GLU 29 Ca 0.28 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1uex h GLU 29 Cb 0.10 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 1uex h GLU 29 CO -0.04 0.62 0.56 -0.22 -1.18 0.00 0.00 179.01 178.75 1uex h LYS 30 N -0.05 0.98 -0.48 1.92 3.64 -1.13 -1.35 116.57 120.11 1uex h LYS 30 Ca 0.03 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1uex h LYS 30 Cb 0.53 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1uex h LYS 30 CO 0.02 0.65 -0.04 0.35 -2.27 0.00 0.00 179.45 178.16 1uex h PHE 31 N 1.01 0.90 -0.03 1.91 3.04 0.01 -1.59 116.94 122.18 1uex h PHE 31 Ca 0.35 -0.14 -0.12 0.00 3.98 0.00 0.00 57.97 62.04 1uex h PHE 31 Cb 0.11 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1uex h PHE 31 CO -0.00 0.84 -0.54 0.00 -2.02 0.00 0.00 178.31 176.59 1uex h LYS 33 N 0.07 -0.18 -0.56 0.00 1.57 -1.00 -2.75 116.57 113.72 1uex h LYS 33 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1uex h LYS 33 Cb 0.97 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1uex h LYS 33 CO 0.07 0.24 0.00 -0.85 -0.57 0.00 0.00 179.45 178.34 1uex n GLU 34 N -4.88 0.78 -0.07 3.15 0.28 -0.63 -2.93 120.64 116.34 1uex n GLU 34 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.79 1uex n GLU 34 Cb 0.25 -1.28 -0.05 0.00 1.43 0.00 0.00 31.44 31.79 1uex n GLU 34 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1uex n LEU 35 N -0.06 1.18 -4.15 -1.84 7.94 -1.10 -5.03 117.00 113.94 1uex n LEU 35 Ca 0.00 0.20 -0.23 0.00 -1.11 0.00 0.00 56.01 54.87 1uex n LEU 35 Cb 0.14 -0.47 -0.15 0.00 0.53 0.00 0.00 43.42 43.47 1uex n LEU 35 CO 0.00 0.14 -0.48 -0.69 -1.11 0.00 0.00 177.39 175.25 1uex s VAL 36 N -2.33 1.24 -0.05 1.96 1.01 -1.04 -5.07 120.40 116.13 1uex s VAL 36 Ca -0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1uex s VAL 36 Cb 0.07 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 1uex s VAL 36 CO 0.26 0.25 1.82 0.54 0.00 0.00 0.00 175.10 177.97 1uex s ASN 37 N -0.62 6.46 -0.63 3.32 2.20 -1.26 -1.27 114.94 123.13 1uex s ASN 37 Ca 0.05 2.32 0.00 0.00 -0.94 0.00 0.00 52.86 54.29 1uex s ASN 37 Cb -0.07 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.65 1uex s ASN 37 CO 0.00 -1.09 0.00 0.61 -2.94 0.00 0.00 177.10 173.68 1uex n GLY 38 N 4.48 0.12 3.93 0.45 0.00 -1.26 -4.86 105.19 108.04 1uex n GLY 38 Ca 0.19 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1uex n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uex s GLY 39 N -2.69 1.79 0.33 -0.02 0.00 -0.40 -4.27 107.32 102.07 1uex s GLY 39 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 1uex s GLY 39 CO 0.00 -0.81 0.51 0.30 0.00 0.00 0.00 173.10 173.10 1uex s HIS 40 N -1.85 0.79 0.00 1.90 3.76 0.16 -3.81 115.29 116.25 1uex s HIS 40 Ca 0.38 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1uex s HIS 40 Cb -0.11 0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.67 1uex s HIS 40 CO 0.29 -1.16 1.06 -0.11 -0.85 0.00 0.00 174.74 173.97 1uex n LEU 41 N -0.52 2.96 -1.61 0.89 7.94 -1.26 0.14 117.00 125.55 1uex n LEU 41 Ca -0.01 -1.39 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 1uex n LEU 41 Cb 0.61 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1uex n LEU 41 CO 0.28 0.54 -0.36 0.80 -1.11 0.00 0.00 177.39 177.54 1uex n MET 42 N 1.14 -4.12 -4.48 1.96 0.00 -1.14 -1.62 117.12 108.86 1uex n MET 42 Ca 0.00 3.03 -0.22 0.00 0.00 0.00 0.00 57.70 60.51 1uex n MET 42 Cb 0.36 -3.16 -0.16 0.00 0.00 0.00 0.00 33.22 30.26 1uex n MET 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1uex s SER 43 N -0.65 1.43 -0.36 6.12 1.04 -1.26 -0.34 113.70 119.68 1uex s SER 43 Ca 0.00 -0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 1uex s SER 43 Cb 0.00 -0.43 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1uex s SER 43 CO 0.00 0.07 0.19 -0.69 0.98 0.00 0.00 173.24 173.79 1uex s VAL 44 N 0.25 4.51 -1.45 5.02 1.01 -1.26 -4.94 120.40 123.53 1uex s VAL 44 Ca -0.05 -0.82 0.17 0.00 0.00 0.00 0.00 61.98 61.29 1uex s VAL 44 Cb -0.10 -3.49 0.51 0.00 0.00 0.00 0.00 36.38 33.30 1uex s VAL 44 CO 0.01 -0.18 1.42 0.59 0.00 0.00 0.00 175.10 176.94 1uex n ASN 45 N 4.98 3.57 -3.62 3.32 5.03 -1.26 -5.00 115.26 122.28 1uex n ASN 45 Ca -0.12 -2.04 -0.07 0.00 0.87 0.00 0.00 54.58 53.22 1uex n ASN 45 Cb 0.46 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1uex n ASN 45 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1uex s SER 46 N -1.01 -0.32 0.12 6.41 1.04 -1.26 -5.03 113.70 113.65 1uex s SER 46 Ca 0.38 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 1uex s SER 46 Cb 0.20 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.73 1uex s SER 46 CO 0.25 -0.87 1.37 -0.09 0.98 0.00 0.00 173.24 174.87 1uex h ARG 47 N 2.00 0.80 -0.02 4.02 2.43 -2.00 -2.86 114.38 118.74 1uex h ARG 47 Ca -0.24 -0.58 -0.10 0.00 -0.81 0.00 0.00 59.98 58.25 1uex h ARG 47 Cb 1.25 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1uex h ARG 47 CO 0.29 1.20 -0.45 0.93 -1.51 0.00 0.00 179.97 180.43 1uex h GLU 48 N 0.58 0.05 -0.10 0.20 3.07 -1.99 -2.37 114.58 114.02 1uex h GLU 48 Ca -0.02 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.63 1uex h GLU 48 Cb 1.28 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1uex h GLU 48 CO 0.14 0.50 -0.70 1.49 -1.40 0.00 0.00 179.01 179.04 1uex h GLU 49 N 0.05 0.45 -0.31 2.33 4.81 -1.95 -2.50 114.58 117.44 1uex h GLU 49 Ca 0.00 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 58.77 1uex h GLU 49 Cb 0.82 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1uex h GLU 49 CO 0.06 0.98 -0.30 0.78 -0.73 0.00 0.00 179.01 179.80 1uex h GLY 50 N 1.21 0.71 2.00 1.92 0.00 -1.27 -2.38 103.07 105.25 1uex h GLY 50 Ca -0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1uex h GLY 50 CO 0.12 0.58 -0.32 -2.09 0.00 0.00 0.00 176.54 174.83 1uex h GLU 51 N 0.56 0.00 -0.16 4.80 4.57 -1.39 -2.08 114.58 120.88 1uex h GLU 51 Ca 0.07 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1uex h GLU 51 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1uex h GLU 51 CO 0.06 0.32 -0.31 0.35 -1.18 0.00 0.00 179.01 178.25 1uex h PHE 52 N 0.00 0.62 0.29 0.92 3.57 -1.15 -2.60 116.94 118.59 1uex h PHE 52 Ca -0.00 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1uex h PHE 52 Cb 0.89 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1uex h PHE 52 CO 0.00 0.94 -0.14 0.82 -2.23 0.00 0.00 178.31 177.70 1uex h ILE 53 N 0.12 0.74 -0.75 1.41 2.04 -1.30 -1.81 117.51 117.96 1uex h ILE 53 Ca 0.01 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.79 1uex h ILE 53 Cb 0.91 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.75 1uex h ILE 53 CO 0.07 0.05 0.30 0.28 0.00 0.00 0.00 178.15 178.85 1uex h SER 54 N -0.50 0.28 -0.50 1.72 0.02 -1.43 0.32 113.55 113.47 1uex h SER 54 Ca -0.04 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1uex h SER 54 Cb 0.37 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1uex h SER 54 CO 0.07 0.11 0.04 0.11 -1.14 0.00 0.00 176.83 176.01 1uex h LYS 55 N 0.44 0.91 0.09 3.45 1.57 -1.36 0.54 116.57 122.20 1uex h LYS 55 Ca 0.41 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1uex h LYS 55 Cb 0.62 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1uex h LYS 55 CO -0.40 0.88 -0.04 1.25 -0.57 0.00 0.00 179.45 180.56 1uex h LEU 56 N 0.85 -0.10 -0.64 2.94 5.85 0.04 0.51 115.31 124.75 1uex h LEU 56 Ca 0.17 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1uex h LEU 56 Cb 0.45 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1uex h LEU 56 CO 0.02 0.09 -0.36 0.00 -0.34 0.00 0.00 178.44 177.85 1uex h ALA 57 N 0.60 0.82 0.00 1.25 0.00 -0.31 -2.95 119.26 118.66 1uex h ALA 57 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1uex h ALA 57 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1uex h ALA 57 CO 0.02 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 1uex h LEU 58 N 0.56 0.01 0.00 0.00 5.85 0.12 0.36 115.31 122.21 1uex h LEU 58 Ca 0.06 -0.98 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1uex h LEU 58 Cb 0.87 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1uex h LEU 58 CO 0.08 1.03 0.00 -0.62 -0.34 0.00 0.00 178.44 178.59 1uex n GLU 59 N -4.59 0.00 0.00 1.25 4.71 0.18 0.16 120.64 122.35 1uex n GLU 59 Ca -0.11 0.40 0.10 0.00 -0.01 0.00 0.00 57.16 57.53 1uex n GLU 59 Cb 0.50 -1.37 0.44 0.00 -1.01 0.00 0.00 31.44 30.00 1uex n GLU 59 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1uex n LYS 60 N -1.69 0.08 0.00 3.49 5.02 -1.11 -4.00 118.16 119.94 1uex n LYS 60 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1uex n LYS 60 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1uex n LYS 60 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1uex n MET 61 N -1.44 0.23 -3.93 1.97 2.81 -1.22 -5.04 117.12 110.49 1uex n MET 61 Ca 0.06 -0.01 -0.27 0.00 -1.81 0.00 0.00 57.70 55.67 1uex n MET 61 Cb 0.21 -0.20 -0.00 0.00 -0.71 0.00 0.00 33.22 32.52 1uex n MET 61 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1uex n ARG 62 N -0.04 -4.01 -4.09 0.03 3.00 0.12 -4.93 116.66 106.75 1uex n ARG 62 Ca 0.00 0.48 -0.36 0.00 -0.01 0.00 0.00 57.85 57.96 1uex n ARG 62 Cb 0.08 -4.92 -0.08 0.00 0.00 0.00 0.00 32.46 27.54 1uex n ARG 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uex s ILE 63 N -3.68 4.97 -0.21 0.55 1.01 0.12 -4.93 121.20 119.02 1uex s ILE 63 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1uex s ILE 63 Cb -0.12 -3.14 -0.19 0.00 0.01 0.00 0.00 42.46 39.02 1uex s ILE 63 CO 0.87 0.60 -0.07 0.52 0.00 0.00 0.00 174.94 176.86 1uex n VAL 64 N 2.16 1.30 -5.19 2.92 0.31 -1.26 -3.79 118.33 114.78 1uex n VAL 64 Ca -0.19 -0.65 -0.30 0.00 -0.01 0.00 0.00 64.34 63.20 1uex n VAL 64 Cb 0.54 -0.92 -0.16 0.00 -0.91 0.00 0.00 33.84 32.39 1uex n VAL 64 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1uex s LEU 65 N -5.87 2.04 -0.07 7.52 1.43 -1.26 -0.18 118.68 122.31 1uex s LEU 65 Ca -0.20 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 1uex s LEU 65 Cb 0.07 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1uex s LEU 65 CO 0.65 0.29 0.23 0.68 0.23 0.00 0.00 176.35 178.42 1uex s VAL 66 N -0.53 0.02 0.39 -1.59 -7.23 -0.66 -4.11 120.40 106.69 1uex s VAL 66 Ca 0.08 -0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 59.87 1uex s VAL 66 Cb -0.09 -0.37 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 1uex s VAL 66 CO -0.01 -0.07 1.17 0.26 -0.31 0.00 0.00 175.10 176.14 1uex s TRP 67 N -0.19 3.11 0.13 2.82 0.23 -0.94 0.33 118.94 124.42 1uex s TRP 67 Ca -0.03 1.56 0.10 0.00 -2.03 0.00 0.00 56.10 55.69 1uex s TRP 67 Cb -0.03 -3.40 -0.04 0.00 0.03 0.00 0.00 33.47 30.03 1uex s TRP 67 CO 0.01 -1.29 -0.24 0.96 0.96 0.00 0.00 176.95 177.35 1uex s ILE 68 N -1.38 2.03 -0.26 2.03 -4.36 -0.21 -3.98 121.20 115.07 1uex s ILE 68 Ca 0.56 -1.71 -0.04 0.00 -0.26 0.00 0.00 60.65 59.19 1uex s ILE 68 Cb -0.31 -1.83 -0.13 0.00 1.25 0.00 0.00 42.46 41.44 1uex s ILE 68 CO 0.39 -0.01 2.29 0.61 0.24 0.00 0.00 174.94 178.46 1uex n GLY 69 N 0.88 2.44 2.81 6.27 0.00 0.54 -4.52 105.19 113.62 1uex n GLY 69 Ca -0.18 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1uex n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uex s LEU 70 N 0.03 0.85 0.28 0.99 2.96 -1.26 -4.95 118.68 117.58 1uex s LEU 70 Ca 0.40 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 1uex s LEU 70 Cb 0.17 -0.44 0.06 0.00 0.50 0.00 0.00 46.19 46.48 1uex s LEU 70 CO -0.01 -0.15 0.89 -0.94 -1.32 0.00 0.00 176.35 174.82 1uex s SER 71 N 1.61 -0.04 0.00 3.68 1.04 -1.26 -2.35 113.70 116.38 1uex s SER 71 Ca -0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1uex s SER 71 Cb -0.13 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1uex s SER 71 CO -0.04 -1.34 0.00 0.00 0.98 0.00 0.00 173.24 172.84 1uex n HIS 72 N -0.58 0.00 -4.10 5.02 1.44 -0.87 -4.97 115.22 111.16 1uex n HIS 72 Ca -0.06 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.41 1uex n HIS 72 Cb 0.60 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.64 1uex n HIS 72 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1uex s PHE 73 N -2.00 2.65 0.15 -1.40 0.40 -1.26 0.21 117.98 116.72 1uex s PHE 73 Ca 0.00 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1uex s PHE 73 Cb 0.00 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1uex s PHE 73 CO 0.00 0.26 1.35 -1.49 0.70 0.00 0.00 175.22 176.04 1uex h TRP 74 N 1.49 0.45 0.00 0.36 -0.00 -1.85 -3.11 115.95 113.29 1uex h TRP 74 Ca -0.43 -0.24 0.00 0.00 -0.00 0.00 0.00 58.89 58.22 1uex h TRP 74 Cb 1.25 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 1uex h TRP 74 CO 0.63 1.05 0.00 2.89 -0.00 0.00 0.00 178.44 183.01 1uex n ARG 75 N -3.71 0.64 -0.00 0.49 0.00 -1.26 -1.60 116.66 111.21 1uex n ARG 75 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1uex n ARG 75 Cb 0.81 -1.29 -0.01 0.00 -0.00 0.00 0.00 32.46 31.96 1uex n ARG 75 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1uex n ILE 76 N 0.27 0.06 -2.13 8.89 2.08 -1.17 -5.05 119.36 122.30 1uex n ILE 76 Ca 0.00 -0.06 -0.30 0.00 0.56 0.00 0.00 62.75 62.95 1uex n ILE 76 Cb 0.19 -0.18 0.01 0.00 -0.75 0.00 0.00 39.64 38.91 1uex n ILE 76 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uex n PRO 78 N -2.57 4.00 -2.38 0.00 -0.04 -1.26 -4.96 135.00 127.78 1uex n PRO 78 Ca 0.04 -2.92 -0.42 0.00 -0.04 0.00 0.00 63.50 60.16 1uex n PRO 78 Cb 0.54 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1uex n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uex s LEU 79 N -0.65 4.28 0.07 1.53 1.43 -1.26 -5.02 118.68 119.06 1uex s LEU 79 Ca 0.58 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.60 1uex s LEU 79 Cb 0.17 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1uex s LEU 79 CO -0.07 -0.65 -0.10 -0.60 0.23 0.00 0.00 176.35 175.16 1uex s ARG 80 N 2.47 0.73 0.73 1.70 3.52 -1.26 -4.67 118.95 122.16 1uex s ARG 80 Ca 0.58 -0.97 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 1uex s ARG 80 Cb -0.26 -0.53 0.12 0.00 -1.56 0.00 0.00 34.95 32.72 1uex s ARG 80 CO 0.22 0.10 1.00 -1.58 -0.81 0.00 0.00 175.30 174.23 1uex s TRP 81 N -1.78 1.81 -0.24 5.12 0.52 -1.26 -5.03 118.94 118.09 1uex s TRP 81 Ca -0.02 -0.14 0.17 0.00 0.02 0.00 0.00 56.10 56.13 1uex s TRP 81 Cb -0.07 -3.09 -0.24 0.00 -1.15 0.00 0.00 33.47 28.92 1uex s TRP 81 CO 0.01 -1.69 0.46 0.25 0.02 0.00 0.00 176.95 175.99 1uex n THR 82 N -2.88 0.00 1.08 2.01 -2.24 -1.26 -4.28 114.28 106.71 1uex n THR 82 Ca 0.14 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1uex n THR 82 Cb 0.60 0.37 0.28 0.00 -2.10 0.00 0.00 70.33 69.48 1uex n THR 82 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1uex n ASP 83 N -1.88 0.70 0.00 3.42 3.85 -1.26 -4.97 116.55 116.41 1uex n ASP 83 Ca -0.01 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.57 1uex n ASP 83 Cb 0.38 0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 1uex n ASP 83 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uex n GLY 84 N 1.45 1.49 3.29 6.12 0.00 -1.26 -5.10 105.19 111.18 1uex n GLY 84 Ca 0.08 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1uex n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uex n ALA 85 N 0.00 -3.50 -3.30 4.61 0.00 -1.26 -4.87 120.51 112.20 1uex n ALA 85 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 1uex n ALA 85 Cb 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 1uex n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uex s ARG 86 N -3.14 3.01 -0.46 0.00 0.52 -1.26 -4.12 118.95 113.50 1uex s ARG 86 Ca 0.52 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1uex s ARG 86 Cb -0.20 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 1uex s ARG 86 CO 0.72 -0.45 2.35 -0.11 0.02 0.00 0.00 175.30 177.83 1uex n LEU 87 N 4.82 2.20 0.00 2.53 7.94 -1.26 -4.67 117.00 128.56 1uex n LEU 87 Ca -0.15 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1uex n LEU 87 Cb 0.47 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1uex n LEU 87 CO 0.30 -1.04 -0.43 0.47 -1.11 0.00 0.00 177.39 175.58 1uex n ASP 88 N 12.64 3.86 -4.56 1.96 8.00 -1.26 -4.90 116.55 132.29 1uex n ASP 88 Ca 0.40 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 1uex n ASP 88 Cb 0.37 0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.65 1uex n ASP 88 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1uex s TYR 89 N -1.86 2.25 -1.19 1.24 5.04 -1.26 -4.92 117.35 116.64 1uex s TYR 89 Ca 0.00 -0.25 -0.18 0.00 -2.44 0.00 0.00 57.07 54.20 1uex s TYR 89 Cb 0.00 -4.46 0.09 0.00 0.35 0.00 0.00 41.96 37.94 1uex s TYR 89 CO 0.00 -1.91 1.57 -0.98 -1.34 0.00 0.00 175.55 172.89 1uex s ARG 90 N 5.76 3.90 -0.10 4.97 1.70 -1.26 -4.77 118.95 129.15 1uex s ARG 90 Ca 0.53 -1.93 0.01 0.00 -0.47 0.00 0.00 55.73 53.88 1uex s ARG 90 Cb -0.03 -5.35 0.16 0.00 -0.57 0.00 0.00 34.95 29.15 1uex s ARG 90 CO -0.04 -2.11 1.17 0.00 -1.08 0.00 0.00 175.30 173.25 1uex n ALA 91 N 7.77 3.17 -3.04 7.88 0.00 -1.26 -4.76 120.51 130.27 1uex n ALA 91 Ca 0.41 -0.64 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1uex n ALA 91 Cb 0.47 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.67 1uex n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uex s LEU 92 N -0.74 2.60 0.26 0.00 1.43 -1.26 -5.08 118.68 115.89 1uex s LEU 92 Ca 0.13 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1uex s LEU 92 Cb 0.11 -1.57 -0.15 0.00 0.03 0.00 0.00 46.19 44.61 1uex s LEU 92 CO 0.03 0.18 0.79 -0.24 0.23 0.00 0.00 176.35 177.34 1uex n SER 93 N 3.40 0.19 0.08 2.29 2.88 -1.26 -4.84 113.62 116.36 1uex n SER 93 Ca -0.18 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1uex n SER 93 Cb 0.53 -1.15 0.40 0.00 -0.75 0.00 0.00 64.21 63.24 1uex n SER 93 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1uex n ASP 94 N 1.52 0.67 -4.64 -3.46 10.43 -1.26 -4.73 116.55 115.09 1uex n ASP 94 Ca 0.13 0.49 -0.39 0.00 2.57 0.00 0.00 54.79 57.58 1uex n ASP 94 Cb 0.30 -0.61 0.03 0.00 1.84 0.00 0.00 41.12 42.68 1uex n ASP 94 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1uex n GLU 95 N -2.11 1.28 -2.53 -1.24 0.28 -1.26 -4.74 120.64 110.31 1uex n GLU 95 Ca 0.05 0.47 -0.31 0.00 -0.16 0.00 0.00 57.16 57.22 1uex n GLU 95 Cb 0.42 -2.20 -0.02 0.00 1.43 0.00 0.00 31.44 31.06 1uex n GLU 95 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1uex s PRO 96 N -2.44 3.80 -0.02 3.44 0.04 -1.26 -4.65 135.00 133.90 1uex s PRO 96 Ca 0.69 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1uex s PRO 96 Cb -0.47 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1uex s PRO 96 CO 0.52 -0.21 0.25 0.42 0.04 0.00 0.00 177.00 178.02 1uex s ILE 97 N -2.61 5.33 0.18 0.56 1.09 0.13 -4.55 121.20 121.33 1uex s ILE 97 Ca 0.54 0.23 0.04 0.00 -1.10 0.00 0.00 60.65 60.36 1uex s ILE 97 Cb -0.10 -3.54 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 1uex s ILE 97 CO 0.36 0.44 -0.06 0.00 -0.10 0.00 0.00 174.94 175.57 1uex s PHE 99 N -3.34 1.66 0.19 0.00 0.40 -0.99 -0.27 117.98 115.62 1uex s PHE 99 Ca 0.22 -0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1uex s PHE 99 Cb 0.04 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1uex s PHE 99 CO 0.04 -0.06 -0.18 0.14 0.70 0.00 0.00 175.22 175.86 1uex s VAL 100 N -0.32 2.70 0.04 -0.44 -7.23 -0.61 -1.04 120.40 113.50 1uex s VAL 100 Ca 0.04 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1uex s VAL 100 Cb -0.08 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1uex s VAL 100 CO -0.00 -0.11 -0.09 0.00 -0.31 0.00 0.00 175.10 174.59 1uex s ALA 101 N -1.68 2.95 -0.17 1.32 0.00 0.15 -0.96 121.76 123.38 1uex s ALA 101 Ca 0.22 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1uex s ALA 101 Cb -0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1uex s ALA 101 CO 0.12 0.62 -0.04 -1.83 0.00 0.00 0.00 175.76 174.63 1uex s GLU 102 N -1.68 3.57 0.00 0.00 4.04 -0.74 -1.65 118.70 122.24 1uex s GLU 102 Ca 0.18 -0.56 0.17 0.00 0.04 0.00 0.00 54.97 54.81 1uex s GLU 102 Cb -0.11 -2.93 1.04 0.00 0.02 0.00 0.00 34.13 32.15 1uex s GLU 102 CO 0.09 0.12 1.46 0.43 -1.84 0.00 0.00 175.26 175.52 1uex n SER 103 N 3.90 0.00 -0.02 0.83 7.64 0.75 -1.08 113.62 125.64 1uex n SER 103 Ca -0.18 -0.73 -0.01 0.00 1.01 0.00 0.00 58.87 58.96 1uex n SER 103 Cb 0.52 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1uex n SER 103 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1uex h PHE 104 N 0.00 0.00 -0.01 1.43 -1.00 -1.91 -3.43 116.94 112.03 1uex h PHE 104 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1uex h PHE 104 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1uex h PHE 104 CO 0.00 0.00 -0.57 0.72 -1.61 0.00 0.00 178.31 176.85 1uex n HIS 105 N -2.93 0.00 -1.00 -0.55 8.25 -1.25 -4.99 115.22 112.74 1uex n HIS 105 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1uex n HIS 105 Cb 0.04 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 1uex n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uex n ASN 106 N -0.59 -3.02 -4.79 0.41 5.03 -0.24 -5.03 115.26 107.02 1uex n ASN 106 Ca 0.06 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.17 1uex n ASN 106 Cb 0.35 -0.53 -0.04 0.00 -1.02 0.00 0.00 39.78 38.55 1uex n ASN 106 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1uex s LYS 107 N -1.19 3.95 -0.16 3.52 -0.14 -1.25 -4.70 119.74 119.78 1uex s LYS 107 Ca 0.00 1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 55.93 1uex s LYS 107 Cb 0.00 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 1uex s LYS 107 CO 0.00 -0.31 0.13 -1.58 -0.76 0.00 0.00 175.35 172.83 1uex s TRP 108 N -1.88 3.49 -0.03 3.18 0.51 -1.26 -1.80 118.94 121.15 1uex s TRP 108 Ca 0.64 0.41 0.05 0.00 -2.12 0.00 0.00 56.10 55.08 1uex s TRP 108 Cb -0.18 -2.04 -0.01 0.00 -0.81 0.00 0.00 33.47 30.43 1uex s TRP 108 CO 0.22 0.50 -0.17 0.42 -0.51 0.00 0.00 176.95 177.41 1uex s ILE 109 N -0.33 1.39 0.54 2.03 1.01 -0.13 -4.96 121.20 120.75 1uex s ILE 109 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 1uex s ILE 109 Cb -0.12 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1uex s ILE 109 CO 0.01 0.40 1.19 -1.10 0.00 0.00 0.00 174.94 175.44 1uex s GLN 110 N -0.14 3.29 -0.12 2.79 1.11 -1.26 -1.57 119.66 123.76 1uex s GLN 110 Ca 0.01 1.79 -0.25 0.00 0.01 0.00 0.00 55.36 56.91 1uex s GLN 110 Cb -0.09 -2.10 0.06 0.00 -1.01 0.00 0.00 33.01 29.87 1uex s GLN 110 CO 0.01 -0.94 0.62 -0.46 0.01 0.00 0.00 175.29 174.53 1uex s TRP 111 N -1.60 -0.62 0.15 0.91 -0.11 0.62 -4.85 118.94 113.45 1uex s TRP 111 Ca 0.72 1.27 -0.33 0.00 1.22 0.00 0.00 56.10 58.98 1uex s TRP 111 Cb -0.29 0.30 -0.13 0.00 -1.50 0.00 0.00 33.47 31.85 1uex s TRP 111 CO 0.33 -0.47 1.65 2.41 -4.62 0.00 0.00 176.95 176.25 1uex n THR 112 N 1.71 0.07 0.07 5.86 -1.04 -1.26 -2.90 114.28 116.79 1uex n THR 112 Ca -0.17 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 1uex n THR 112 Cb 0.56 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 67.28 1uex n THR 112 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uex n ASN 114 N -5.04 6.96 -3.71 0.00 6.94 -1.26 -2.89 115.26 116.27 1uex n ASN 114 Ca -0.09 -2.46 -0.14 0.00 -0.02 0.00 0.00 54.58 51.87 1uex n ASN 114 Cb 0.19 -1.37 -0.14 0.00 -2.36 0.00 0.00 39.78 36.10 1uex n ASN 114 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1uex s ARG 115 N 2.32 0.13 0.18 -3.83 3.00 -1.24 -5.07 118.95 114.44 1uex s ARG 115 Ca 0.60 0.55 -0.31 0.00 0.00 0.00 0.00 55.73 56.57 1uex s ARG 115 Cb 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 34.95 34.89 1uex s ARG 115 CO -0.04 -0.22 1.40 0.15 0.00 0.00 0.00 175.30 176.58 1uex s LYS 116 N 1.72 4.32 -0.07 3.54 1.02 -1.26 -4.44 119.74 124.57 1uex s LYS 116 Ca -0.04 2.15 -0.09 0.00 0.02 0.00 0.00 55.97 58.01 1uex s LYS 116 Cb -0.11 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1uex s LYS 116 CO -0.07 -0.39 0.23 0.15 -0.92 0.00 0.00 175.35 174.35 1uex s LYS 117 N 0.37 0.35 0.72 1.68 -0.14 0.10 -4.76 119.74 118.07 1uex s LYS 117 Ca 0.61 0.17 -0.15 0.00 -1.36 0.00 0.00 55.97 55.25 1uex s LYS 117 Cb -0.39 0.16 0.04 0.00 -1.68 0.00 0.00 37.83 35.96 1uex s LYS 117 CO 0.36 -0.06 1.19 -1.12 -0.76 0.00 0.00 175.35 174.95 1uex s SER 118 N -0.25 4.33 0.00 2.83 0.01 -1.26 -2.00 113.70 117.36 1uex s SER 118 Ca -0.04 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1uex s SER 118 Cb -0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1uex s SER 118 CO 0.01 -2.17 0.00 2.22 0.41 0.00 0.00 173.24 173.71 1uex n PHE 119 N -2.71 0.00 -3.76 2.43 -1.74 -0.23 -2.21 117.46 109.23 1uex n PHE 119 Ca 0.13 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.88 1uex n PHE 119 Cb 0.51 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.36 1uex n PHE 119 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1uex s VAL 120 N -1.57 -0.04 0.24 1.97 1.01 -1.26 -0.07 120.40 120.68 1uex s VAL 120 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1uex s VAL 120 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1uex s VAL 120 CO 0.00 0.07 0.29 0.00 0.00 0.00 0.00 175.10 175.46 1uex s LYS 122 N -3.91 0.48 0.06 0.00 2.20 0.38 -2.51 119.74 116.45 1uex s LYS 122 Ca 0.34 0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 56.75 1uex s LYS 122 Cb -0.09 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1uex s LYS 122 CO 0.27 -0.14 0.02 1.52 -0.36 0.00 0.00 175.35 176.67 1uex s TYR 123 N 1.19 0.46 -0.16 4.03 -0.85 -0.94 0.37 117.35 121.45 1uex s TYR 123 Ca -0.08 -0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 55.46 1uex s TYR 123 Cb -0.07 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.92 1uex s TYR 123 CO -0.11 -0.42 0.01 0.50 -1.52 0.00 0.00 175.55 174.00 1uex s ARG 124 N -3.91 3.71 0.00 -3.49 3.52 -1.26 -0.82 118.95 116.70 1uex s ARG 124 Ca 0.07 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.31 1uex s ARG 124 Cb 0.07 -3.02 0.37 0.00 -1.56 0.00 0.00 34.95 30.82 1uex s ARG 124 CO -0.10 0.32 0.84 0.28 -0.81 0.00 0.00 175.30 175.83