#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueg s VAL 3 N 0.00 4.76 0.39 0.00 1.01 -1.26 -4.90 120.40 120.40 1ueg s VAL 3 Ca 0.00 0.88 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1ueg s VAL 3 Cb 0.00 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1ueg s VAL 3 CO 0.00 -0.39 0.89 0.20 0.00 0.00 0.00 175.10 175.80 1ueg s ASN 4 N 1.80 6.93 0.06 3.32 0.01 -1.26 -4.83 114.94 120.97 1ueg s ASN 4 Ca 0.30 1.59 0.07 0.00 -0.71 0.00 0.00 52.86 54.11 1ueg s ASN 4 Cb -0.13 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1ueg s ASN 4 CO 0.16 -0.29 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.57 1ueg s VAL 5 N -2.07 1.64 0.29 1.60 1.01 -1.26 -5.09 120.40 116.53 1ueg s VAL 5 Ca 0.58 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1ueg s VAL 5 Cb -0.10 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 1ueg s VAL 5 CO 0.15 0.12 -0.06 -0.31 0.00 0.00 0.00 175.10 175.00 1ueg s TYR 6 N -0.91 2.04 0.00 5.22 2.02 -1.26 -4.87 117.35 119.59 1ueg s TYR 6 Ca 0.07 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1ueg s TYR 6 Cb -0.09 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1ueg s TYR 6 CO 0.02 0.33 0.00 -1.13 -1.57 0.00 0.00 175.55 173.20 1ueg n SER 7 N -0.63 0.00 -3.55 2.29 3.41 -1.26 -5.10 113.62 108.78 1ueg n SER 7 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 1ueg n SER 7 Cb 0.63 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1ueg n SER 7 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ueg s ASN 14 N -4.00 -0.45 0.07 4.04 -0.87 -1.26 -4.78 114.94 107.68 1ueg s ASN 14 Ca 0.00 0.41 0.06 0.00 -1.57 0.00 0.00 52.86 51.75 1ueg s ASN 14 Cb 0.00 0.39 -0.03 0.00 -0.02 0.00 0.00 41.25 41.59 1ueg s ASN 14 CO 0.00 -0.48 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.14 1ueg s LEU 15 N -1.40 2.25 0.73 0.60 1.02 -1.26 -5.12 118.68 115.50 1ueg s LEU 15 Ca -0.03 -0.58 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 1ueg s LEU 15 Cb -0.00 -0.62 0.04 0.00 0.02 0.00 0.00 46.19 45.62 1ueg s LEU 15 CO 0.02 -0.01 1.10 -0.94 0.02 0.00 0.00 176.35 176.54 1ueg s SER 16 N -1.58 4.67 0.39 2.29 1.04 -1.26 -4.76 113.70 114.50 1ueg s SER 16 Ca 0.01 1.93 0.08 0.00 0.48 0.00 0.00 55.95 58.45 1ueg s SER 16 Cb -0.09 -2.54 0.84 0.00 0.10 0.00 0.00 66.02 64.33 1ueg s SER 16 CO 0.02 -1.93 1.98 0.08 0.98 0.00 0.00 173.24 174.37 1ueg h ARG 17 N -0.67 0.61 -0.36 4.02 0.11 -2.00 0.07 114.38 116.17 1ueg h ARG 17 Ca -0.45 -0.04 -0.12 0.00 0.10 0.00 0.00 59.98 59.48 1ueg h ARG 17 Cb 1.24 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1ueg h ARG 17 CO 0.52 0.41 -0.23 0.45 0.10 0.00 0.00 179.97 181.22 1ueg h HIS 18 N 0.63 0.92 -0.12 4.08 3.86 -2.00 -2.38 115.15 120.14 1ueg h HIS 18 Ca 0.28 -0.24 -0.18 0.00 -1.16 0.00 0.00 60.37 59.07 1ueg h HIS 18 Cb 0.31 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1ueg h HIS 18 CO -0.00 1.00 -0.67 -0.44 0.86 0.00 0.00 177.93 178.67 1ueg h ASP 19 N 0.58 0.57 0.28 2.45 3.32 -1.78 -1.95 116.42 119.90 1ueg h ASP 19 Ca 0.07 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1ueg h ASP 19 Cb 0.79 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1ueg h ASP 19 CO 0.06 1.09 -0.16 -0.03 -1.72 0.00 0.00 179.24 178.48 1ueg h MET 20 N 0.35 -0.40 -0.62 3.56 4.05 -0.96 1.02 114.93 121.94 1ueg h MET 20 Ca -0.02 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1ueg h MET 20 Cb 1.24 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 1ueg h MET 20 CO 0.12 -0.27 0.35 -0.07 0.23 0.00 0.00 176.91 177.27 1ueg h LEU 21 N -0.42 0.54 -0.15 3.39 3.38 -1.46 -0.70 115.31 119.89 1ueg h LEU 21 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ueg h LEU 21 Cb 0.34 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ueg h LEU 21 CO 0.04 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1ueg h ALA 22 N 1.31 0.13 -0.20 1.53 0.00 -0.66 0.11 119.26 121.48 1ueg h ALA 22 Ca 0.27 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ueg h ALA 22 Cb 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ueg h ALA 22 CO -0.15 -0.44 0.03 2.35 0.00 0.00 0.00 179.25 181.04 1ueg h TRP 23 N 0.05 0.05 -0.22 0.00 7.01 0.17 -0.49 115.95 122.52 1ueg h TRP 23 Ca 0.07 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1ueg h TRP 23 Cb 0.08 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1ueg h TRP 23 CO -0.15 0.01 0.12 0.82 -2.79 0.00 0.00 178.44 176.46 1ueg h ILE 24 N 0.11 1.10 -0.27 2.65 2.04 -0.84 0.17 117.51 122.47 1ueg h ILE 24 Ca 0.09 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1ueg h ILE 24 Cb 0.09 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1ueg h ILE 24 CO -0.13 0.10 0.12 0.78 0.00 0.00 0.00 178.15 179.03 1ueg h ASN 25 N 0.25 0.17 0.25 1.72 2.35 -0.55 -0.56 115.58 119.21 1ueg h ASN 25 Ca 0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1ueg h ASN 25 Cb 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ueg h ASN 25 CO -0.01 0.14 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.45 1ueg h GLU 26 N 0.26 -0.32 -0.52 0.81 5.08 -0.97 0.57 114.58 119.49 1ueg h GLU 26 Ca 0.11 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1ueg h GLU 26 Cb 0.05 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1ueg h GLU 26 CO -0.09 -0.11 0.06 0.77 -1.00 0.00 0.00 179.01 178.64 1ueg h SER 27 N -0.48 -0.09 -0.55 1.42 0.02 -0.45 -2.47 113.55 110.95 1ueg h SER 27 Ca -0.03 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ueg h SER 27 Cb 0.36 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1ueg h SER 27 CO 0.06 -0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 1ueg n LEU 28 N -5.17 3.52 -3.65 5.07 4.77 -0.24 -4.97 117.00 116.32 1ueg n LEU 28 Ca 0.06 -1.89 -0.22 0.00 -0.03 0.00 0.00 56.01 53.93 1ueg n LEU 28 Cb 0.28 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1ueg n LEU 28 CO 0.17 0.86 -0.06 0.00 -1.33 0.00 0.00 177.39 177.03 1ueg n GLN 29 N 1.26 -4.16 -4.30 3.23 6.02 0.17 -4.43 117.38 115.16 1ueg n GLN 29 Ca 0.19 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.51 1ueg n GLN 29 Cb 0.55 -5.10 -0.04 0.00 1.02 0.00 0.00 30.24 26.68 1ueg n GLN 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ueg s LEU 30 N -6.53 2.50 -0.32 1.08 1.43 0.61 -4.90 118.68 112.57 1ueg s LEU 30 Ca 0.11 -1.44 0.16 0.00 -1.03 0.00 0.00 54.13 51.93 1ueg s LEU 30 Cb -0.03 -0.97 0.47 0.00 0.03 0.00 0.00 46.19 45.68 1ueg s LEU 30 CO 0.81 -0.99 1.03 0.59 0.23 0.00 0.00 176.35 178.02 1ueg n ASN 31 N -1.53 2.23 -4.78 2.29 3.02 -1.26 -4.65 115.26 110.58 1ueg n ASN 31 Ca -0.10 -2.76 -0.32 0.00 -0.03 0.00 0.00 54.58 51.37 1ueg n ASN 31 Cb 0.66 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 39.40 1ueg n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ueg s LEU 32 N -3.40 3.22 0.00 3.41 1.43 -1.26 -4.98 118.68 117.10 1ueg s LEU 32 Ca 0.32 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1ueg s LEU 32 Cb 0.41 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1ueg s LEU 32 CO -0.02 -1.74 0.21 0.35 0.23 0.00 0.00 176.35 175.38 1ueg n THR 33 N -2.94 0.00 -3.74 5.49 -2.24 -1.26 -5.01 114.28 104.58 1ueg n THR 33 Ca 0.09 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1ueg n THR 33 Cb 0.53 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 1ueg n THR 33 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ueg s LYS 34 N -0.39 0.60 0.50 -0.78 1.02 -1.26 -5.05 119.74 114.38 1ueg s LYS 34 Ca 0.00 0.15 0.15 0.00 0.02 0.00 0.00 55.97 56.29 1ueg s LYS 34 Cb 0.00 0.28 1.21 0.00 -0.52 0.00 0.00 37.83 38.80 1ueg s LYS 34 CO 0.00 -0.14 2.13 0.82 -0.92 0.00 0.00 175.35 177.24 1ueg h ILE 35 N 4.10 1.02 0.00 2.17 1.08 -1.96 -2.50 117.51 121.42 1ueg h ILE 35 Ca -0.28 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1ueg h ILE 35 Cb 1.18 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1ueg h ILE 35 CO 0.34 0.02 0.00 1.05 -0.69 0.00 0.00 178.15 178.87 1ueg h GLU 36 N 0.05 0.00 0.00 2.37 9.09 -1.88 -2.82 114.58 121.39 1ueg h GLU 36 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1ueg h GLU 36 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1ueg h GLU 36 CO -0.00 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.10 1ueg n GLN 37 N -2.74 0.09 0.00 1.06 6.02 -0.94 -1.36 117.38 119.52 1ueg n GLN 37 Ca 0.01 0.39 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 1ueg n GLN 37 Cb 0.27 -1.70 0.72 0.00 1.02 0.00 0.00 30.24 30.55 1ueg n GLN 37 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ueg n LEU 38 N -1.88 0.00 0.10 1.08 4.77 -1.06 -3.53 117.00 116.47 1ueg n LEU 38 Ca 0.02 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1ueg n LEU 38 Cb 0.16 -0.12 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 1ueg n LEU 38 CO 0.14 -0.02 0.75 0.00 -1.33 0.00 0.00 177.39 176.93 1ueg n SER 40 N -1.99 0.30 0.00 0.00 3.41 -1.23 -4.41 113.62 109.70 1ueg n SER 40 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1ueg n SER 40 Cb 0.09 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1ueg n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ueg n GLY 41 N 1.44 2.36 0.11 5.00 0.00 -0.83 -4.53 105.19 108.74 1ueg n GLY 41 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1ueg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ueg h ALA 42 N 0.00 -0.19 -0.90 4.61 0.00 -1.86 -2.32 119.26 118.61 1ueg h ALA 42 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ueg h ALA 42 Cb 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1ueg h ALA 42 CO 0.00 -0.60 0.56 0.00 0.00 0.00 0.00 179.25 179.21 1ueg h ALA 43 N 0.66 1.25 -0.23 0.00 0.00 -1.89 -0.88 119.26 118.17 1ueg h ALA 43 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ueg h ALA 43 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ueg h ALA 43 CO 0.03 0.29 -0.02 1.88 0.00 0.00 0.00 179.25 181.43 1ueg h TYR 44 N 1.00 0.34 -0.48 0.00 0.05 -1.86 -0.96 116.97 115.07 1ueg h TYR 44 Ca 0.40 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 59.06 1ueg h TYR 44 Cb 0.21 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1ueg h TYR 44 CO -0.03 0.37 -0.10 0.00 -1.05 0.00 0.00 178.16 177.35 1ueg h GLN 46 N 0.78 0.42 -0.60 0.00 4.20 -0.82 -0.48 115.11 118.61 1ueg h GLN 46 Ca 0.13 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1ueg h GLN 46 Cb 0.61 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1ueg h GLN 46 CO 0.04 0.74 0.35 0.74 -0.67 0.00 0.00 178.83 180.03 1ueg h PHE 47 N 0.11 0.66 -0.46 2.96 0.05 -1.10 0.11 116.94 119.27 1ueg h PHE 47 Ca 0.04 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.84 1ueg h PHE 47 Cb 0.63 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 1ueg h PHE 47 CO 0.07 0.35 0.26 1.98 -0.18 0.00 0.00 178.31 180.80 1ueg h MET 48 N 0.68 0.63 0.00 1.51 4.05 -1.05 0.11 114.93 120.87 1ueg h MET 48 Ca 0.25 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1ueg h MET 48 Cb 0.07 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1ueg h MET 48 CO -0.13 0.49 0.00 0.22 0.23 0.00 0.00 176.91 177.72 1ueg h ASP 49 N 0.61 0.00 0.84 1.39 3.58 -0.39 0.12 116.42 122.57 1ueg h ASP 49 Ca 0.16 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.42 1ueg h ASP 49 Cb 0.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1ueg h ASP 49 CO -0.03 0.00 -1.25 -0.03 -2.88 0.00 0.00 179.24 175.05 1ueg h MET 50 N 0.00 0.00 0.13 0.28 4.05 0.73 -2.53 114.93 117.60 1ueg h MET 50 Ca 0.00 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.11 1ueg h MET 50 Cb 0.30 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1ueg h MET 50 CO 0.00 0.49 -1.55 -0.07 0.23 0.00 0.00 176.91 176.00 1ueg h LEU 51 N 0.00 0.45 -6.40 3.39 3.38 0.34 -3.42 115.31 113.04 1ueg h LEU 51 Ca -0.14 -0.61 -0.59 0.00 0.09 0.00 0.00 57.88 56.63 1ueg h LEU 51 Cb 1.68 -0.15 -0.38 0.00 0.09 0.00 0.00 40.66 41.90 1ueg h LEU 51 CO 0.07 1.51 -0.96 -0.36 0.09 0.00 0.00 178.44 178.79 1ueg s PHE 52 N -2.61 1.14 -0.22 1.13 0.40 0.30 -4.88 117.98 113.24 1ueg s PHE 52 Ca -0.10 -2.32 -0.39 0.00 -0.60 0.00 0.00 56.93 53.52 1ueg s PHE 52 Cb 0.06 -0.97 -0.15 0.00 0.51 0.00 0.00 43.02 42.47 1ueg s PHE 52 CO 0.86 -0.82 1.74 -2.30 0.70 0.00 0.00 175.22 175.39 1ueg n PRO 53 N 2.89 1.32 0.00 0.24 -0.02 -0.95 -1.12 135.00 137.35 1ueg n PRO 53 Ca 0.29 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1ueg n PRO 53 Cb 0.47 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ueg n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ueg n GLY 54 N 4.10 1.64 0.25 -1.23 0.00 -1.26 -4.91 105.19 103.77 1ueg n GLY 54 Ca 0.25 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.43 1ueg n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ueg h SER 55 N 0.00 0.00 -4.37 1.61 4.64 -1.47 -3.43 113.55 110.54 1ueg h SER 55 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1ueg h SER 55 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 1ueg h SER 55 CO 0.00 0.00 -0.85 -0.63 -0.87 0.00 0.00 176.83 174.48 1ueg s ILE 56 N -3.51 1.67 -0.71 0.95 -1.09 -1.26 -4.42 121.20 112.83 1ueg s ILE 56 Ca 0.03 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.26 1ueg s ILE 56 Cb 0.08 -1.42 0.16 0.00 -1.58 0.00 0.00 42.46 39.70 1ueg s ILE 56 CO 0.56 0.36 0.73 0.00 -1.23 0.00 0.00 174.94 175.35 1ueg s ALA 57 N -0.62 3.71 0.28 9.38 0.00 -1.26 -4.91 121.76 128.34 1ueg s ALA 57 Ca 0.08 -2.78 0.01 0.00 0.00 0.00 0.00 51.96 49.27 1ueg s ALA 57 Cb -0.08 -3.52 0.56 0.00 0.00 0.00 0.00 23.12 20.07 1ueg s ALA 57 CO 0.00 -2.32 1.80 -0.07 0.00 0.00 0.00 175.76 175.18 1ueg h LEU 58 N 8.95 0.76 -1.78 0.00 3.38 -1.95 -1.04 115.31 123.63 1ueg h LEU 58 Ca -0.09 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.21 1ueg h LEU 58 Cb 1.07 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1ueg h LEU 58 CO 0.96 0.36 0.68 0.50 0.09 0.00 0.00 178.44 181.03 1ueg h LYS 59 N 0.83 0.15 0.00 1.13 1.63 -1.92 0.17 116.57 118.55 1ueg h LYS 59 Ca 0.49 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 60.15 1ueg h LYS 59 Cb 0.60 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1ueg h LYS 59 CO -0.31 0.10 -0.79 0.87 -3.45 0.00 0.00 179.45 175.87 1ueg h LYS 60 N 0.15 0.00 -6.75 1.90 1.79 -1.61 -3.46 116.57 108.60 1ueg h LYS 60 Ca 0.49 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.43 1ueg h LYS 60 Cb 1.67 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.37 1ueg h LYS 60 CO -0.09 0.53 0.76 0.08 -1.08 0.00 0.00 179.45 179.64 1ueg s VAL 61 N -2.91 2.66 -0.77 0.50 1.01 0.59 -4.95 120.40 116.53 1ueg s VAL 61 Ca 0.02 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 1ueg s VAL 61 Cb 0.08 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 33.28 1ueg s VAL 61 CO 0.77 0.09 0.77 -0.54 0.00 0.00 0.00 175.10 176.20 1ueg s LYS 62 N -0.43 3.43 0.58 2.72 1.02 -1.26 -4.91 119.74 120.90 1ueg s LYS 62 Ca 0.59 -2.08 0.34 0.00 0.02 0.00 0.00 55.97 54.84 1ueg s LYS 62 Cb -0.42 -4.47 1.76 0.00 -0.52 0.00 0.00 37.83 34.19 1ueg s LYS 62 CO 0.44 -1.41 2.16 0.74 -0.92 0.00 0.00 175.35 176.36 1ueg h PHE 63 N 8.31 0.00 -0.15 3.18 0.04 -1.92 -2.66 116.94 123.74 1ueg h PHE 63 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1ueg h PHE 63 Cb 1.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1ueg h PHE 63 CO 0.98 0.05 -0.03 1.04 -0.60 0.00 0.00 178.31 179.75 1ueg n GLN 64 N -3.37 2.08 -1.61 1.51 1.13 -1.26 -4.97 117.38 110.89 1ueg n GLN 64 Ca -0.02 -2.80 -0.46 0.00 -1.94 0.00 0.00 57.00 51.78 1ueg n GLN 64 Cb 0.19 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 1ueg n GLN 64 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ueg n ALA 65 N -0.98 -0.06 0.00 -1.58 0.00 -1.00 -4.90 120.51 111.98 1ueg n ALA 65 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1ueg n ALA 65 Cb 0.79 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1ueg n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ueg n LYS 66 N 1.54 1.47 -3.39 0.00 4.76 -1.26 -4.95 118.16 116.32 1ueg n LYS 66 Ca 0.12 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.23 1ueg n LYS 66 Cb 0.29 -0.87 -0.06 0.00 -1.84 0.00 0.00 35.03 32.55 1ueg n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ueg s LEU 67 N -2.43 4.26 0.22 -0.35 1.43 -1.26 -5.00 118.68 115.55 1ueg s LEU 67 Ca 0.00 1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 54.01 1ueg s LEU 67 Cb 0.00 -3.44 0.17 0.00 0.03 0.00 0.00 46.19 42.95 1ueg s LEU 67 CO 0.00 0.03 1.87 -0.08 0.23 0.00 0.00 176.35 178.40 1ueg h GLU 68 N 3.12 1.08 0.00 1.70 4.81 -1.96 -0.84 114.58 122.48 1ueg h GLU 68 Ca -0.48 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1ueg h GLU 68 Cb 1.18 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1ueg h GLU 68 CO 0.67 0.74 -0.06 1.12 -0.73 0.00 0.00 179.01 180.75 1ueg h HIS 69 N 1.09 0.00 -0.13 0.92 2.07 -1.97 -0.14 115.15 116.99 1ueg h HIS 69 Ca 0.29 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.60 1ueg h HIS 69 Cb -0.07 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.91 1ueg h HIS 69 CO -0.01 0.06 -0.77 0.93 -3.07 0.00 0.00 177.93 175.07 1ueg h GLU 70 N 0.00 0.67 -0.51 5.12 5.08 -1.60 -0.96 114.58 122.38 1ueg h GLU 70 Ca -0.00 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1ueg h GLU 70 Cb 0.46 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1ueg h GLU 70 CO 0.01 1.17 0.28 1.88 -1.00 0.00 0.00 179.01 181.34 1ueg h TYR 71 N 0.46 0.70 -0.85 4.33 0.05 0.03 -2.22 116.97 119.48 1ueg h TYR 71 Ca -0.05 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1ueg h TYR 71 Cb 1.39 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 1ueg h TYR 71 CO 0.07 0.53 0.43 0.82 -1.05 0.00 0.00 178.16 178.96 1ueg h ILE 72 N 0.68 1.26 -0.73 -2.88 2.04 -0.98 -2.17 117.51 114.72 1ueg h ILE 72 Ca 0.18 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1ueg h ILE 72 Cb 0.06 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1ueg h ILE 72 CO -0.03 0.30 0.46 1.56 0.00 0.00 0.00 178.15 180.44 1ueg h GLN 73 N 1.19 0.88 -0.48 2.37 4.20 -0.74 -0.94 115.11 121.59 1ueg h GLN 73 Ca 0.29 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ueg h GLN 73 Cb 0.08 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1ueg h GLN 73 CO -0.04 0.58 0.29 -0.91 -0.67 0.00 0.00 178.83 178.08 1ueg h ASN 74 N 0.91 0.59 -0.17 1.46 2.35 -0.97 -2.26 115.58 117.48 1ueg h ASN 74 Ca 0.29 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 1ueg h ASN 74 Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1ueg h ASN 74 CO -0.11 0.48 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.89 1ueg h PHE 75 N 0.64 0.44 -0.50 1.19 0.04 -0.77 -1.41 116.94 116.57 1ueg h PHE 75 Ca 0.17 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1ueg h PHE 75 Cb 0.01 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1ueg h PHE 75 CO -0.03 0.45 -0.03 0.87 -0.60 0.00 0.00 178.31 178.97 1ueg h LYS 76 N 0.42 0.87 -0.43 1.51 1.57 -0.74 0.13 116.57 119.89 1ueg h LYS 76 Ca 0.09 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1ueg h LYS 76 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1ueg h LYS 76 CO 0.01 0.89 -0.04 0.82 -0.57 0.00 0.00 179.45 180.55 1ueg h ILE 77 N 0.80 1.24 0.10 1.86 2.04 -0.80 0.39 117.51 123.14 1ueg h ILE 77 Ca 0.15 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1ueg h ILE 77 Cb 0.52 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ueg h ILE 77 CO 0.03 0.36 -0.05 0.25 0.00 0.00 0.00 178.15 178.74 1ueg h LEU 78 N 0.68 -0.11 -1.31 1.44 5.85 -0.45 -1.61 115.31 119.79 1ueg h LEU 78 Ca 0.13 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ueg h LEU 78 Cb 0.48 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1ueg h LEU 78 CO 0.02 0.21 0.51 -0.61 -0.34 0.00 0.00 178.44 178.24 1ueg h GLN 79 N -0.44 0.80 -0.23 1.25 5.75 -0.55 0.13 115.11 121.82 1ueg h GLN 79 Ca -0.01 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1ueg h GLN 79 Cb 0.37 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1ueg h GLN 79 CO 0.02 0.53 -0.24 0.00 -2.65 0.00 0.00 178.83 176.49 1ueg h ALA 80 N 1.58 1.15 -0.28 3.38 0.00 -0.73 -0.29 119.26 124.07 1ueg h ALA 80 Ca 0.34 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1ueg h ALA 80 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ueg h ALA 80 CO -0.12 0.54 -0.51 0.78 0.00 0.00 0.00 179.25 179.94 1ueg h GLY 81 N 1.01 0.85 0.98 0.00 0.00 -0.01 -2.58 103.07 103.32 1ueg h GLY 81 Ca 0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 1ueg h GLY 81 CO 0.05 0.86 -0.16 0.74 0.00 0.00 0.00 176.54 178.03 1ueg h PHE 82 N 0.61 -0.42 -0.45 5.60 0.05 -0.25 -2.16 116.94 119.93 1ueg h PHE 82 Ca 0.02 -0.01 0.08 0.00 3.82 0.00 0.00 57.97 61.88 1ueg h PHE 82 Cb 1.09 0.14 -0.07 0.00 2.00 0.00 0.00 35.95 39.11 1ueg h PHE 82 CO 0.06 -0.24 0.04 -0.22 -0.18 0.00 0.00 178.31 177.77 1ueg h LYS 83 N -0.48 0.15 -1.00 1.51 3.64 -1.08 0.23 116.57 119.55 1ueg h LYS 83 Ca -0.05 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1ueg h LYS 83 Cb 0.36 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 1ueg h LYS 83 CO 0.08 0.10 0.64 0.00 -2.27 0.00 0.00 179.45 178.00 1ueg h ARG 84 N 0.16 1.13 -0.28 1.90 3.08 -1.35 -1.88 114.38 117.13 1ueg h ARG 84 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ueg h ARG 84 Cb 0.31 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ueg h ARG 84 CO -0.34 0.75 0.00 -1.33 -1.07 0.00 0.00 179.97 177.98 1ueg n MET 85 N -4.50 1.86 -1.41 0.04 2.81 -0.61 -4.92 117.12 110.38 1ueg n MET 85 Ca 0.15 -1.31 -0.05 0.00 -1.81 0.00 0.00 57.70 54.68 1ueg n MET 85 Cb 0.19 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1ueg n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ueg n GLY 86 N 1.15 0.61 3.65 3.03 0.00 -0.35 -4.07 105.19 109.22 1ueg n GLY 86 Ca 0.15 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1ueg n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ueg s VAL 87 N -2.22 4.91 -2.68 1.61 1.01 0.67 -4.87 120.40 118.84 1ueg s VAL 87 Ca 0.00 1.44 0.25 0.00 0.00 0.00 0.00 61.98 63.67 1ueg s VAL 87 Cb 0.00 -4.06 0.39 0.00 0.00 0.00 0.00 36.38 32.71 1ueg s VAL 87 CO 0.00 0.01 1.51 -0.90 0.00 0.00 0.00 175.10 175.72 1ueg n ASP 88 N 5.54 2.26 -4.68 3.32 5.68 -1.26 -4.10 116.55 123.32 1ueg n ASP 88 Ca 0.03 -1.76 -0.42 0.00 -0.50 0.00 0.00 54.79 52.14 1ueg n ASP 88 Cb 0.49 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 1ueg n ASP 88 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1ueg s LYS 89 N -1.94 4.16 -0.33 0.11 2.47 -1.26 -4.96 119.74 117.99 1ueg s LYS 89 Ca 0.34 2.46 -0.24 0.00 -1.56 0.00 0.00 55.97 56.97 1ueg s LYS 89 Cb 0.20 -3.84 0.01 0.00 -1.46 0.00 0.00 37.83 32.74 1ueg s LYS 89 CO 0.31 -0.85 0.82 0.42 0.16 0.00 0.00 175.35 176.21 1ueg s ILE 90 N 3.48 4.74 -0.09 5.43 1.01 -1.26 -5.03 121.20 129.48 1ueg s ILE 90 Ca 0.80 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 1ueg s ILE 90 Cb -0.41 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1ueg s ILE 90 CO 0.36 -0.34 1.18 -0.63 0.00 0.00 0.00 174.94 175.50 1ueg s ILE 91 N 3.09 4.35 -1.19 2.92 1.01 -1.26 -4.91 121.20 125.21 1ueg s ILE 91 Ca 0.33 1.66 -0.15 0.00 0.00 0.00 0.00 60.65 62.49 1ueg s ILE 91 Cb -0.14 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1ueg s ILE 91 CO 0.14 -0.03 2.21 -0.81 0.00 0.00 0.00 174.94 176.46 1ueg n PRO 92 N 5.45 2.43 0.08 2.79 -0.04 -1.26 -4.75 135.00 139.69 1ueg n PRO 92 Ca 0.11 -2.16 -0.12 0.00 -0.04 0.00 0.00 63.50 61.29 1ueg n PRO 92 Cb 0.46 -3.00 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 1ueg n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ueg h VAL 93 N 3.96 0.38 -0.24 0.52 2.07 -2.00 -2.22 116.25 118.71 1ueg h VAL 93 Ca 0.55 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.13 1ueg h VAL 93 Cb 0.54 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ueg h VAL 93 CO 1.85 0.00 0.17 0.44 0.02 0.00 0.00 177.57 180.05 1ueg h ASP 94 N -0.45 0.06 0.34 0.57 5.19 -1.99 0.32 116.42 120.45 1ueg h ASP 94 Ca 0.05 -0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.14 1ueg h ASP 94 Cb 0.51 -0.01 0.03 0.00 0.18 0.00 0.00 39.33 40.04 1ueg h ASP 94 CO -0.22 0.04 -1.44 0.11 -3.12 0.00 0.00 179.24 174.61 1ueg h LYS 95 N 0.06 0.49 -0.35 3.56 1.79 -1.91 -3.28 116.57 116.93 1ueg h LYS 95 Ca 0.11 -0.83 -0.04 0.00 -2.18 0.00 0.00 60.65 57.70 1ueg h LYS 95 Cb 0.37 0.31 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1ueg h LYS 95 CO -0.01 1.40 0.04 -0.07 -1.08 0.00 0.00 179.45 179.74 1ueg h LEU 96 N 0.13 0.57 -0.72 2.94 3.38 -0.88 -2.98 115.31 117.75 1ueg h LEU 96 Ca -0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ueg h LEU 96 Cb 2.13 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1ueg h LEU 96 CO 0.26 0.70 0.00 1.33 0.09 0.00 0.00 178.44 180.82 1ueg n VAL 97 N -4.56 1.12 0.41 1.22 0.24 0.11 -0.76 118.33 116.11 1ueg n VAL 97 Ca -0.01 0.45 0.13 0.00 -2.04 0.00 0.00 64.34 62.86 1ueg n VAL 97 Cb 0.23 -1.38 0.50 0.00 -1.47 0.00 0.00 33.84 31.72 1ueg n VAL 97 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ueg h LYS 98 N 0.00 0.00 -0.99 7.34 1.79 -1.58 -3.47 116.57 119.65 1ueg h LYS 98 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1ueg h LYS 98 Cb 0.16 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1ueg h LYS 98 CO 0.00 0.00 -0.11 0.41 -1.08 0.00 0.00 179.45 178.67 1ueg n GLY 99 N 0.27 0.36 3.92 3.86 0.00 0.06 -5.04 105.19 108.62 1ueg n GLY 99 Ca 0.02 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1ueg n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ueg s LYS 100 N -4.53 3.37 -0.00 1.61 -0.14 -1.26 -4.86 119.74 113.92 1ueg s LYS 100 Ca 0.04 -0.58 -0.15 0.00 -1.36 0.00 0.00 55.97 53.91 1ueg s LYS 100 Cb -0.02 -2.95 -0.08 0.00 -1.68 0.00 0.00 37.83 33.11 1ueg s LYS 100 CO 0.04 0.54 0.83 0.35 -0.76 0.00 0.00 175.35 176.36 1ueg h PHE 101 N 2.47 -0.49 -0.86 3.18 3.04 -1.95 -3.23 116.94 119.09 1ueg h PHE 101 Ca -0.47 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 61.56 1ueg h PHE 101 Cb 1.18 0.16 -0.12 0.00 2.56 0.00 0.00 35.95 39.74 1ueg h PHE 101 CO 0.56 -0.31 -0.54 0.37 -2.02 0.00 0.00 178.31 176.38 1ueg h GLN 102 N -0.77 -0.08 -0.35 1.11 5.75 -1.98 0.13 115.11 118.92 1ueg h GLN 102 Ca -0.05 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1ueg h GLN 102 Cb 0.41 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1ueg h GLN 102 CO 0.09 -0.05 0.11 -0.44 -2.65 0.00 0.00 178.83 175.88 1ueg h ASP 103 N -0.09 0.10 -0.26 -0.69 3.32 -1.93 0.83 116.42 117.70 1ueg h ASP 103 Ca 0.18 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1ueg h ASP 103 Cb 0.49 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ueg h ASP 103 CO -0.87 0.10 0.02 0.78 -1.72 0.00 0.00 179.24 177.55 1ueg h ASN 104 N 0.25 0.52 0.00 6.45 2.35 -1.52 0.15 115.58 123.78 1ueg h ASN 104 Ca 0.16 -0.09 -0.26 0.00 -0.55 0.00 0.00 56.30 55.56 1ueg h ASN 104 Cb 0.14 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.40 1ueg h ASN 104 CO -0.17 0.58 -1.01 0.15 -1.65 0.00 0.00 177.43 175.32 1ueg h PHE 105 N 0.54 1.01 -0.78 1.19 -0.00 0.42 -1.56 116.94 117.76 1ueg h PHE 105 Ca 0.12 -0.55 0.08 0.00 -0.00 0.00 0.00 57.97 57.62 1ueg h PHE 105 Cb 0.31 -0.11 -0.07 0.00 -0.00 0.00 0.00 35.95 36.08 1ueg h PHE 105 CO 0.01 1.39 0.45 1.49 -0.00 0.00 0.00 178.31 181.65 1ueg h GLU 106 N 0.35 0.75 -0.03 1.11 4.81 0.12 -2.17 114.58 119.51 1ueg h GLU 106 Ca -0.13 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 1ueg h GLU 106 Cb 1.67 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.89 1ueg h GLU 106 CO 0.20 0.50 -0.53 0.35 -0.73 0.00 0.00 179.01 178.79 1ueg h PHE 107 N 0.77 0.60 -0.80 0.92 3.57 -0.73 -3.19 116.94 118.08 1ueg h PHE 107 Ca 0.37 -0.30 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1ueg h PHE 107 Cb 0.30 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1ueg h PHE 107 CO -0.07 1.10 0.47 -0.24 -2.23 0.00 0.00 178.31 177.35 1ueg h VAL 108 N -0.07 0.97 -0.75 1.41 3.04 -1.19 0.11 116.25 119.77 1ueg h VAL 108 Ca -0.06 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1ueg h VAL 108 Cb 1.22 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.53 1ueg h VAL 108 CO 0.11 0.15 0.47 1.56 -1.01 0.00 0.00 177.57 178.85 1ueg h GLN 109 N 0.83 1.01 -0.00 4.17 1.08 -1.47 -1.11 115.11 119.61 1ueg h GLN 109 Ca 0.37 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1ueg h GLN 109 Cb 0.26 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1ueg h GLN 109 CO -0.21 0.70 -0.10 2.35 -0.95 0.00 0.00 178.83 180.62 1ueg h TRP 110 N 1.02 -0.24 -0.51 2.96 7.01 -0.85 -2.90 115.95 122.44 1ueg h TRP 110 Ca 0.27 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.29 1ueg h TRP 110 Cb -0.07 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1ueg h TRP 110 CO -0.01 -0.15 0.34 0.35 -2.79 0.00 0.00 178.44 176.18 1ueg h PHE 111 N -0.16 0.63 -0.36 2.65 3.04 -0.60 -0.68 116.94 121.46 1ueg h PHE 111 Ca 0.04 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1ueg h PHE 111 Cb 0.21 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1ueg h PHE 111 CO -0.16 0.39 0.06 -0.22 -2.02 0.00 0.00 178.31 176.36 1ueg h LYS 112 N 0.67 0.59 -0.39 1.11 1.63 -1.04 0.23 116.57 119.37 1ueg h LYS 112 Ca 0.19 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1ueg h LYS 112 Cb -0.05 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 1ueg h LYS 112 CO -0.04 0.66 0.13 0.87 -3.45 0.00 0.00 179.45 177.62 1ueg h LYS 113 N 0.43 0.60 -0.34 1.90 1.57 -1.27 0.17 116.57 119.63 1ueg h LYS 113 Ca 0.11 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1ueg h LYS 113 Cb 0.35 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1ueg h LYS 113 CO 0.01 0.59 0.15 0.35 -0.57 0.00 0.00 179.45 179.98 1ueg h PHE 114 N 0.49 0.28 -0.20 -1.35 3.04 -0.89 -1.06 116.94 117.25 1ueg h PHE 114 Ca 0.13 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1ueg h PHE 114 Cb 0.23 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1ueg h PHE 114 CO 0.01 0.14 0.08 0.35 -2.02 0.00 0.00 178.31 176.87 1ueg h PHE 115 N 0.32 0.29 -0.19 0.41 3.04 -0.14 -2.50 116.94 118.18 1ueg h PHE 115 Ca 0.14 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1ueg h PHE 115 Cb 0.07 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1ueg h PHE 115 CO -0.11 0.33 0.13 -0.44 -2.02 0.00 0.00 178.31 176.20 1ueg h ASP 116 N 0.17 0.08 1.58 0.41 3.32 -0.42 -0.91 116.42 120.65 1ueg h ASP 116 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ueg h ASP 116 Cb 0.15 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1ueg h ASP 116 CO -0.01 0.05 -0.21 0.00 -1.72 0.00 0.00 179.24 177.36 1ueg h ALA 117 N 1.90 0.89 -0.00 3.45 0.00 -0.78 -3.37 119.26 121.35 1ueg h ALA 117 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ueg h ALA 117 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ueg h ALA 117 CO -0.01 0.26 -0.19 0.09 0.00 0.00 0.00 179.25 179.40 1ueg n ASN 118 N -3.19 0.39 -4.77 0.00 4.13 -0.65 -4.85 115.26 106.33 1ueg n ASN 118 Ca 0.02 -0.69 -0.39 0.00 1.68 0.00 0.00 54.58 55.20 1ueg n ASN 118 Cb 0.57 0.86 -0.05 0.00 -1.54 0.00 0.00 39.78 39.62 1ueg n ASN 118 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ueg s TYR 119 N -1.30 3.62 0.00 3.10 6.14 -0.44 -4.91 117.35 123.56 1ueg s TYR 119 Ca 0.02 1.75 0.00 0.00 0.64 0.00 0.00 57.07 59.48 1ueg s TYR 119 Cb 0.04 -3.13 0.00 0.00 0.42 0.00 0.00 41.96 39.29 1ueg s TYR 119 CO 0.17 -0.23 0.00 -0.25 0.64 0.00 0.00 175.55 175.88 1ueg n ASP 120 N 0.88 0.49 -0.75 4.32 8.00 -1.26 -5.04 116.55 123.18 1ueg n ASP 120 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ueg n ASP 120 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1ueg n ASP 120 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ueg n GLY 121 N 1.80 -4.01 2.28 0.44 0.00 -1.26 -5.21 105.19 99.23 1ueg n GLY 121 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 1ueg n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ueg n LYS 122 N 0.12 -4.46 0.00 1.61 4.76 -1.26 -5.22 118.16 113.70 1ueg n LYS 122 Ca 0.00 3.33 0.00 0.00 -2.87 0.00 0.00 58.31 58.77 1ueg n LYS 122 Cb 0.00 -4.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.82 1ueg n LYS 122 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ueg n VAL 127 N 1.59 0.00 -0.15 -0.18 0.31 -1.26 -5.26 118.33 113.38 1ueg n VAL 127 Ca -0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.20 1ueg n VAL 127 Cb 0.19 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.35 1ueg n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ueg h ALA 128 N 0.00 1.34 0.00 3.52 0.00 -2.01 -1.97 119.26 120.14 1ueg h ALA 128 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ueg h ALA 128 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ueg h ALA 128 CO 0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1ueg h ALA 129 N 1.44 1.00 -0.03 0.00 0.00 -2.06 -3.55 119.26 116.07 1ueg h ALA 129 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ueg h ALA 129 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ueg h ALA 129 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.77