#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yug s SER 2 N 0.00 3.85 0.12 1.61 1.04 -1.26 -4.95 113.70 114.12 2yug s SER 2 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2yug s SER 2 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2yug s SER 2 CO 0.00 -0.04 0.00 -0.24 0.98 0.00 0.00 173.24 173.94 2yug n SER 3 N 4.70 0.32 -0.22 7.02 2.88 -1.26 -5.10 113.62 121.97 2yug n SER 3 Ca -0.19 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2yug n SER 3 Cb 0.50 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2yug n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yug n GLY 4 N 2.46 0.67 3.36 0.46 0.00 -1.26 -5.13 105.19 105.75 2yug n GLY 4 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 2yug n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yug s SER 5 N -1.72 2.08 -0.08 1.61 0.15 -1.26 -5.10 113.70 109.38 2yug s SER 5 Ca 0.00 -1.21 -0.09 0.00 0.70 0.00 0.00 55.95 55.35 2yug s SER 5 Cb 0.00 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2yug s SER 5 CO 0.00 -0.47 -0.17 -1.20 1.20 0.00 0.00 173.24 172.60 2yug n SER 6 N -0.47 0.98 -3.04 5.45 7.64 -1.26 -4.93 113.62 118.00 2yug n SER 6 Ca -0.05 0.17 -0.15 0.00 1.01 0.00 0.00 58.87 59.84 2yug n SER 6 Cb 0.64 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2yug n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yug n GLY 7 N 1.62 2.58 3.71 0.23 0.00 -1.26 -5.10 105.19 106.96 2yug n GLY 7 Ca -0.07 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2yug n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yug s LEU 8 N -2.32 4.36 -0.24 0.99 0.20 -1.26 -4.91 118.68 115.51 2yug s LEU 8 Ca 0.34 1.98 0.02 0.00 0.69 0.00 0.00 54.13 57.16 2yug s LEU 8 Cb 0.32 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.56 2yug s LEU 8 CO -0.07 -0.48 -0.09 -1.81 -0.29 0.00 0.00 176.35 173.61 2yug s ASP 9 N 1.12 3.97 -0.36 3.68 1.11 -1.26 -4.92 116.67 120.00 2yug s ASP 9 Ca 0.58 -1.19 -0.12 0.00 0.18 0.00 0.00 52.55 52.00 2yug s ASP 9 Cb -0.29 -1.34 0.00 0.00 1.07 0.00 0.00 42.92 42.37 2yug s ASP 9 CO 0.28 -0.20 0.23 -0.51 1.18 0.00 0.00 175.17 176.15 2yug s ILE 10 N 1.28 4.96 -0.50 0.77 1.10 -1.25 -2.27 121.20 125.29 2yug s ILE 10 Ca -0.06 -0.51 -0.00 0.00 -0.51 0.00 0.00 60.65 59.57 2yug s ILE 10 Cb -0.19 -3.64 0.13 0.00 0.15 0.00 0.00 42.46 38.91 2yug s ILE 10 CO -0.06 -0.11 0.28 -0.69 -2.11 0.00 0.00 174.94 172.25 2yug s VAL 11 N 1.65 3.12 0.00 4.00 1.01 0.59 -4.92 120.40 125.85 2yug s VAL 11 Ca 0.05 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.29 2yug s VAL 11 Cb -0.18 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2yug s VAL 11 CO 0.09 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.02 2yug n GLY 12 N 3.78 0.92 1.66 4.51 0.00 -1.26 -2.10 105.19 112.69 2yug n GLY 12 Ca 0.04 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.40 2yug n GLY 12 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2yug n ILE 13 N 0.00 0.15 -3.73 -0.61 -5.35 -1.26 -5.04 119.36 103.52 2yug n ILE 13 Ca 0.00 -1.21 -0.25 0.00 -0.27 0.00 0.00 62.75 61.02 2yug n ILE 13 Cb 0.00 1.03 -0.17 0.00 -1.74 0.00 0.00 39.64 38.76 2yug n ILE 13 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2yug s TRP 14 N -0.46 0.71 -0.10 4.28 0.52 -0.89 -4.13 118.94 118.87 2yug s TRP 14 Ca 0.32 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.01 2yug s TRP 14 Cb 0.37 -0.86 -0.02 0.00 -1.15 0.00 0.00 33.47 31.81 2yug s TRP 14 CO -0.15 -0.46 -0.14 1.67 0.02 0.00 0.00 176.95 177.89 2yug s TRP 15 N 1.96 2.76 0.45 -1.98 1.48 -0.74 -0.30 118.94 122.57 2yug s TRP 15 Ca 0.02 -0.46 -0.24 0.00 -1.06 0.00 0.00 56.10 54.35 2yug s TRP 15 Cb -0.15 -1.76 -0.08 0.00 -1.16 0.00 0.00 33.47 30.33 2yug s TRP 15 CO -0.07 -0.06 1.27 0.99 -4.06 0.00 0.00 176.95 175.02 2yug s THR 16 N -0.07 2.66 0.39 0.66 2.01 -0.96 -1.95 115.64 118.37 2yug s THR 16 Ca -0.02 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 2yug s THR 16 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2yug s THR 16 CO 0.04 0.04 0.66 0.68 -0.69 0.00 0.00 174.62 175.35 2yug s VAL 17 N -1.35 4.98 -0.08 3.82 -7.23 -1.18 -4.69 120.40 114.69 2yug s VAL 17 Ca 0.61 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2yug s VAL 17 Cb -0.36 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 32.70 2yug s VAL 17 CO 0.45 -0.60 -0.04 -1.20 -0.31 0.00 0.00 175.10 173.39 2yug n SER 18 N -1.70 3.38 -4.19 4.85 7.64 -1.26 -4.96 113.62 117.38 2yug n SER 18 Ca -0.01 -0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.62 2yug n SER 18 Cb 0.55 0.13 -0.09 0.00 -1.01 0.00 0.00 64.21 63.78 2yug n SER 18 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2yug s ASN 19 N -4.46 2.13 0.17 6.43 4.22 -1.26 -4.91 114.94 117.26 2yug s ASN 19 Ca -0.08 -1.53 -0.14 0.00 -2.14 0.00 0.00 52.86 48.96 2yug s ASN 19 Cb 0.03 0.28 0.06 0.00 1.28 0.00 0.00 41.25 42.90 2yug s ASN 19 CO 0.21 -0.81 1.83 0.15 -2.04 0.00 0.00 177.10 176.44 2yug h PHE 20 N 2.06 0.60 -0.28 1.54 3.57 -1.94 -1.84 116.94 120.65 2yug h PHE 20 Ca -0.37 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.23 2yug h PHE 20 Cb 1.26 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2yug h PHE 20 CO 1.00 0.37 0.28 0.78 -2.23 0.00 0.00 178.31 178.51 2yug h GLY 21 N 0.64 0.00 1.88 2.40 0.00 -2.01 0.53 103.07 106.51 2yug h GLY 21 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 2yug h GLY 21 CO -0.06 0.00 -0.68 0.83 0.00 0.00 0.00 176.54 176.63 2yug h GLU 22 N 0.00 0.12 -6.22 4.80 5.08 -1.74 -3.43 114.58 113.19 2yug h GLU 22 Ca 0.13 -0.10 -0.56 0.00 -1.00 0.00 0.00 59.36 57.83 2yug h GLU 22 Cb 0.69 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2yug h GLU 22 CO -0.00 0.76 0.81 0.42 -1.00 0.00 0.00 179.01 180.00 2yug s ILE 23 N -3.54 4.27 -0.25 3.13 1.01 0.18 -4.96 121.20 121.03 2yug s ILE 23 Ca -0.02 1.57 -0.32 0.00 0.00 0.00 0.00 60.65 61.87 2yug s ILE 23 Cb 0.12 -4.01 0.17 0.00 0.01 0.00 0.00 42.46 38.75 2yug s ILE 23 CO 0.79 -0.08 1.29 -0.55 0.00 0.00 0.00 174.94 176.39 2yug s SER 24 N 1.75 -0.09 0.68 3.58 0.15 -1.26 -4.93 113.70 113.58 2yug s SER 24 Ca 0.55 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2yug s SER 24 Cb -0.23 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2yug s SER 24 CO 0.18 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2yug n GLY 25 N 0.36 -0.45 3.68 9.45 0.00 -1.26 -4.65 105.19 112.31 2yug n GLY 25 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2yug n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yug n THR 26 N -0.58 0.55 -4.13 2.61 -1.04 -1.26 -1.74 114.28 108.68 2yug n THR 26 Ca 0.00 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 2yug n THR 26 Cb 0.00 -2.23 -0.11 0.00 -1.82 0.00 0.00 70.33 66.18 2yug n THR 26 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2yug s ILE 27 N 3.49 0.64 -0.05 12.58 -5.25 -0.47 -2.87 121.20 129.27 2yug s ILE 27 Ca 0.85 -1.57 0.05 0.00 -0.99 0.00 0.00 60.65 59.00 2yug s ILE 27 Cb -0.45 -1.22 -0.01 0.00 2.95 0.00 0.00 42.46 43.73 2yug s ILE 27 CO 0.39 -0.65 -0.21 0.00 -1.79 0.00 0.00 174.94 172.68 2yug s ALA 28 N -2.64 1.80 -0.08 2.27 0.00 0.09 -0.88 121.76 122.33 2yug s ALA 28 Ca 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2yug s ALA 28 Cb -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2yug s ALA 28 CO -0.02 0.35 0.03 0.42 0.00 0.00 0.00 175.76 176.54 2yug s ILE 29 N -0.11 4.54 -0.22 0.00 1.01 -1.26 0.19 121.20 125.35 2yug s ILE 29 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2yug s ILE 29 Cb -0.12 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.47 2yug s ILE 29 CO 0.02 0.59 -0.07 -0.70 0.00 0.00 0.00 174.94 174.78 2yug s GLU 30 N -0.98 1.77 -0.11 2.79 2.12 -1.16 -3.93 118.70 119.19 2yug s GLU 30 Ca 0.14 -0.93 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 2yug s GLU 30 Cb -0.11 -2.51 -0.26 0.00 0.26 0.00 0.00 34.13 31.50 2yug s GLU 30 CO 0.04 -0.53 0.40 0.52 -0.54 0.00 0.00 175.26 175.14 2yug h MET 31 N 7.96 0.27 -6.19 4.30 2.86 -1.92 -3.10 114.93 119.10 2yug h MET 31 Ca -0.21 -0.46 -0.49 0.00 -2.06 0.00 0.00 59.70 56.48 2yug h MET 31 Cb 1.08 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 2yug h MET 31 CO 0.43 1.21 -0.38 -0.51 1.06 0.00 0.00 176.91 178.72 2yug s ASP 32 N -7.04 5.13 -1.14 1.22 1.11 -1.25 -4.94 116.67 109.76 2yug s ASP 32 Ca -0.21 -0.68 -0.21 0.00 0.18 0.00 0.00 52.55 51.62 2yug s ASP 32 Cb 0.07 -0.64 0.03 0.00 1.07 0.00 0.00 42.92 43.45 2yug s ASP 32 CO 0.78 -0.61 1.68 -0.75 1.18 0.00 0.00 175.17 177.44 2yug s LYS 33 N -4.12 3.52 0.00 8.23 2.20 -1.26 -3.63 119.74 124.68 2yug s LYS 33 Ca 0.47 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2yug s LYS 33 Cb -0.04 -5.39 0.00 0.00 -1.51 0.00 0.00 37.83 30.89 2yug s LYS 33 CO 0.28 -2.56 0.00 0.41 -0.36 0.00 0.00 175.35 173.12 2yug n GLY 34 N 6.14 2.57 3.89 5.54 0.00 -1.26 -4.91 105.19 117.16 2yug n GLY 34 Ca 0.42 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2yug n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 35 N -0.46 2.99 0.18 4.61 0.00 -1.24 -3.11 121.76 124.73 2yug s ALA 35 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2yug s ALA 35 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2yug s ALA 35 CO 0.00 -1.02 0.10 0.71 0.00 0.00 0.00 175.76 175.56 2yug s TYR 36 N -3.27 1.10 -0.50 0.00 1.51 -1.26 -3.97 117.35 110.96 2yug s TYR 36 Ca 0.57 -1.31 -0.28 0.00 -1.01 0.00 0.00 57.07 55.04 2yug s TYR 36 Cb -0.11 -0.56 -0.00 0.00 -0.11 0.00 0.00 41.96 41.18 2yug s TYR 36 CO 0.51 -0.57 1.59 0.42 -1.11 0.00 0.00 175.55 176.39 2yug s ILE 37 N -4.09 3.65 -0.39 2.71 1.01 -1.25 -1.27 121.20 121.57 2yug s ILE 37 Ca 0.34 0.57 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 2yug s ILE 37 Cb 0.07 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2yug s ILE 37 CO 0.09 -0.89 0.60 -2.28 0.00 0.00 0.00 174.94 172.46 2yug s HIS 38 N 6.76 3.12 1.08 3.97 2.46 0.04 -4.06 115.29 128.66 2yug s HIS 38 Ca 0.63 0.09 -0.17 0.00 0.47 0.00 0.00 55.06 56.08 2yug s HIS 38 Cb -0.14 -3.17 0.23 0.00 -0.13 0.00 0.00 32.58 29.37 2yug s HIS 38 CO 0.27 -0.72 1.17 0.00 -2.47 0.00 0.00 174.74 172.99 2yug s ALA 39 N 2.66 1.24 0.04 1.58 0.00 -1.24 -0.88 121.76 125.14 2yug s ALA 39 Ca 0.22 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2yug s ALA 39 Cb -0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2yug s ALA 39 CO 0.16 -3.02 -0.01 -0.51 0.00 0.00 0.00 175.76 172.38 2yug s LEU 40 N -6.49 2.25 0.15 0.00 1.43 -0.38 -4.76 118.68 110.89 2yug s LEU 40 Ca 0.70 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2yug s LEU 40 Cb -0.10 0.24 -0.02 0.00 0.03 0.00 0.00 46.19 46.34 2yug s LEU 40 CO 0.55 -0.46 1.39 -0.78 0.23 0.00 0.00 176.35 177.28 2yug h ASP 41 N 3.87 0.63 -0.11 2.29 3.58 -1.99 -3.08 116.42 121.62 2yug h ASP 41 Ca -0.33 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 56.74 2yug h ASP 41 Cb 1.18 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2yug h ASP 41 CO 0.53 1.18 0.10 -1.13 -2.88 0.00 0.00 179.24 177.04 2yug h ASN 42 N 0.36 0.00 0.00 2.28 -1.24 -1.97 -3.45 115.58 111.56 2yug h ASN 42 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2yug h ASN 42 Cb 1.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.40 2yug h ASN 42 CO 0.14 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 2yug n GLY 43 N -1.44 1.87 3.74 1.57 0.00 -1.16 -5.09 105.19 104.69 2yug n GLY 43 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2yug n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yug n LEU 44 N 0.00 0.00 -3.73 0.99 4.77 -1.26 -3.53 117.00 114.24 2yug n LEU 44 Ca 0.00 -3.30 -0.16 0.00 -0.03 0.00 0.00 56.01 52.52 2yug n LEU 44 Cb 0.00 0.46 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 2yug n LEU 44 CO 0.00 -0.47 -0.29 -0.36 -1.33 0.00 0.00 177.39 174.94 2yug s PHE 45 N -2.94 -0.06 0.22 -1.77 0.40 -1.26 -1.25 117.98 111.32 2yug s PHE 45 Ca 0.03 0.34 0.09 0.00 -0.60 0.00 0.00 56.93 56.79 2yug s PHE 45 Cb 0.00 -0.23 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 2yug s PHE 45 CO 0.02 -0.16 -0.17 -0.08 0.70 0.00 0.00 175.22 175.54 2yug s THR 46 N 1.47 1.93 -0.60 0.64 -1.32 -0.06 -2.76 115.64 114.94 2yug s THR 46 Ca -0.05 -2.21 -0.28 0.00 -1.21 0.00 0.00 61.69 57.95 2yug s THR 46 Cb -0.12 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.82 2yug s THR 46 CO -0.04 -0.50 1.30 -0.22 -2.21 0.00 0.00 174.62 172.95 2yug s LEU 47 N -3.24 3.37 1.28 9.08 2.96 -1.26 -0.78 118.68 130.10 2yug s LEU 47 Ca 0.23 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.03 2yug s LEU 47 Cb -0.03 -3.00 0.32 0.00 0.50 0.00 0.00 46.19 43.98 2yug s LEU 47 CO 0.09 -1.65 0.99 -0.83 -1.32 0.00 0.00 176.35 173.63 2yug s GLY 48 N 3.71 1.48 0.30 7.98 0.00 -0.40 -4.88 107.32 115.51 2yug s GLY 48 Ca 0.45 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.51 2yug s GLY 48 CO 0.23 0.36 0.74 0.00 0.00 0.00 0.00 173.10 174.42 2yug s ALA 49 N -2.43 3.34 0.89 3.20 0.00 -1.26 -4.24 121.76 121.26 2yug s ALA 49 Ca 0.69 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2yug s ALA 49 Cb -0.19 -2.78 0.12 0.00 0.00 0.00 0.00 23.12 20.27 2yug s ALA 49 CO 0.61 0.33 1.09 -1.25 0.00 0.00 0.00 175.76 176.54 2yug s PRO 50 N -2.78 1.34 0.36 0.00 0.04 -1.26 -4.48 135.00 128.23 2yug s PRO 50 Ca 0.52 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2yug s PRO 50 Cb -0.12 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2yug s PRO 50 CO 0.18 -2.17 0.57 -1.01 0.04 0.00 0.00 177.00 174.61 2yug s HIS 51 N -2.98 3.46 -0.15 0.56 3.76 -1.18 -4.86 115.29 113.90 2yug s HIS 51 Ca 0.63 0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 55.79 2yug s HIS 51 Cb -0.17 -1.96 -0.24 0.00 1.11 0.00 0.00 32.58 31.32 2yug s HIS 51 CO 0.56 0.05 0.27 -2.13 -0.85 0.00 0.00 174.74 172.64 2yug n ARG 52 N -1.83 0.72 -2.81 1.40 0.00 -1.26 -4.93 116.66 107.95 2yug n ARG 52 Ca -0.04 0.30 -0.33 0.00 -0.00 0.00 0.00 57.85 57.79 2yug n ARG 52 Cb 0.56 -1.69 -0.06 0.00 0.00 0.00 0.00 32.46 31.27 2yug n ARG 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2yug s GLU 53 N -2.52 4.10 -0.04 -0.14 2.12 -1.26 -5.03 118.70 115.93 2yug s GLU 53 Ca -0.25 0.96 -0.04 0.00 0.36 0.00 0.00 54.97 56.00 2yug s GLU 53 Cb 0.07 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 2yug s GLU 53 CO 0.72 -0.04 0.24 0.28 -0.54 0.00 0.00 175.26 175.92 2yug h VAL 54 N 1.68 0.00 -0.88 3.70 2.07 -2.05 -3.39 116.25 117.39 2yug h VAL 54 Ca -0.48 -0.47 -0.68 0.00 0.82 0.00 0.00 66.70 65.88 2yug h VAL 54 Cb 1.18 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2yug h VAL 54 CO 0.62 0.00 2.21 0.47 0.02 0.00 0.00 177.57 180.90 2yug n ASP 55 N -3.71 4.91 -4.20 0.57 9.92 -1.26 -4.92 116.55 117.87 2yug n ASP 55 Ca -0.02 -2.92 -0.13 0.00 -0.53 0.00 0.00 54.79 51.19 2yug n ASP 55 Cb 0.06 -1.74 -0.10 0.00 -0.64 0.00 0.00 41.12 38.70 2yug n ASP 55 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2yug s GLU 56 N 4.08 0.90 0.10 -1.24 2.56 -1.26 -4.89 118.70 118.95 2yug s GLU 56 Ca 0.53 -1.30 0.02 0.00 0.00 0.00 0.00 54.97 54.22 2yug s GLU 56 Cb 0.04 -0.44 -0.04 0.00 2.00 0.00 0.00 34.13 35.69 2yug s GLU 56 CO 0.07 0.04 0.17 0.20 -0.56 0.00 0.00 175.26 175.19 2yug s GLY 57 N -2.86 1.99 0.71 -1.50 0.00 -1.26 -4.92 107.32 99.48 2yug s GLY 57 Ca 0.11 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 2yug s GLY 57 CO -0.01 -0.97 1.08 2.56 0.00 0.00 0.00 173.10 175.76 2yug s PRO 58 N -2.68 2.67 0.70 2.90 0.04 -1.26 -5.05 135.00 132.32 2yug s PRO 58 Ca 0.33 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 2yug s PRO 58 Cb -0.12 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2yug s PRO 58 CO 0.26 -1.32 1.09 -1.12 0.04 0.00 0.00 177.00 175.94 2yug s SER 59 N -3.25 5.53 0.22 6.66 0.01 -1.26 -4.81 113.70 116.80 2yug s SER 59 Ca 0.62 1.16 -0.08 0.00 1.31 0.00 0.00 55.95 58.95 2yug s SER 59 Cb -0.17 -1.98 0.31 0.00 0.21 0.00 0.00 66.02 64.38 2yug s SER 59 CO 0.50 -1.29 1.75 -0.65 0.41 0.00 0.00 173.24 173.97 2yug h PRO 60 N -0.62 0.46 -0.51 12.44 0.11 -1.96 0.16 132.00 142.08 2yug h PRO 60 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2yug h PRO 60 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2yug h PRO 60 CO 0.64 0.30 0.34 -1.35 -0.21 0.00 0.00 178.00 177.72 2yug h PRO 61 N 0.47 0.64 0.01 1.05 0.11 -1.93 -2.28 132.00 130.08 2yug h PRO 61 Ca 0.33 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.16 2yug h PRO 61 Cb 0.39 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 2yug h PRO 61 CO -0.30 0.43 -1.22 0.93 -0.21 0.00 0.00 178.00 177.62 2yug h GLU 62 N 0.66 0.02 -6.25 1.05 5.08 -1.47 -3.31 114.58 110.37 2yug h GLU 62 Ca 0.19 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.95 2yug h GLU 62 Cb -0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2yug h GLU 62 CO -0.04 0.88 1.07 -0.65 -1.00 0.00 0.00 179.01 179.26 2yug s GLN 63 N -2.67 4.02 0.49 2.33 -0.21 0.48 -4.53 119.66 119.56 2yug s GLN 63 Ca -0.01 1.83 0.08 0.00 0.02 0.00 0.00 55.36 57.28 2yug s GLN 63 Cb 0.09 -3.96 0.04 0.00 1.00 0.00 0.00 33.01 30.18 2yug s GLN 63 CO 0.83 -1.02 0.61 -0.06 -2.12 0.00 0.00 175.29 173.53 2yug s PHE 64 N 4.45 2.15 -0.15 0.91 0.40 -0.06 -3.18 117.98 122.51 2yug s PHE 64 Ca 0.68 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2yug s PHE 64 Cb -0.27 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.05 2yug s PHE 64 CO 0.26 -0.67 -0.10 0.99 0.70 0.00 0.00 175.22 176.40 2yug s THR 65 N -2.53 1.37 0.54 0.64 2.01 0.27 -1.37 115.64 116.57 2yug s THR 65 Ca 0.55 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 2yug s THR 65 Cb -0.07 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2yug s THR 65 CO 0.34 0.34 0.91 0.00 -0.69 0.00 0.00 174.62 175.51 2yug s ALA 66 N 1.55 3.24 -0.26 7.40 0.00 -0.71 -1.16 121.76 131.82 2yug s ALA 66 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 2yug s ALA 66 Cb -0.14 -2.86 0.14 0.00 0.00 0.00 0.00 23.12 20.27 2yug s ALA 66 CO -0.09 -0.45 0.41 0.08 0.00 0.00 0.00 175.76 175.70 2yug s VAL 67 N -2.88 -0.65 -0.23 0.00 1.01 -0.40 -4.17 120.40 113.08 2yug s VAL 67 Ca 0.52 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 2yug s VAL 67 Cb -0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2yug s VAL 67 CO 0.46 -0.13 2.10 -0.54 0.00 0.00 0.00 175.10 177.00 2yug s LYS 68 N 2.58 3.24 0.00 2.72 1.02 -1.26 -0.37 119.74 127.67 2yug s LYS 68 Ca 0.13 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.05 2yug s LYS 68 Cb -0.15 -4.32 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 2yug s LYS 68 CO -0.18 -1.98 0.00 1.28 -0.92 0.00 0.00 175.35 173.55 2yug n LEU 69 N 11.12 1.09 0.00 3.17 4.77 0.12 -4.96 117.00 132.30 2yug n LEU 69 Ca 0.28 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2yug n LEU 69 Cb 0.45 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2yug n LEU 69 CO 0.67 -0.03 0.00 -1.20 -1.33 0.00 0.00 177.39 175.50 2yug n SER 70 N -1.18 0.00 -3.61 -1.43 7.64 -1.15 -4.95 113.62 108.93 2yug n SER 70 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2yug n SER 70 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2yug n SER 70 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yug n ASP 71 N 0.00 -5.28 -3.33 6.43 -0.08 -1.26 -2.02 116.55 111.01 2yug n ASP 71 Ca 0.00 -0.59 -0.22 0.00 -1.51 0.00 0.00 54.79 52.47 2yug n ASP 71 Cb 0.00 -4.89 0.07 0.00 2.34 0.00 0.00 41.12 38.64 2yug n ASP 71 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2yug n SER 72 N -3.02 -5.93 -4.17 1.67 2.88 -1.26 -5.00 113.62 98.79 2yug n SER 72 Ca -0.05 -0.50 -0.30 0.00 -1.33 0.00 0.00 58.87 56.69 2yug n SER 72 Cb 0.58 -4.65 -0.17 0.00 -0.75 0.00 0.00 64.21 59.22 2yug n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yug s ARG 73 N -6.18 2.72 0.06 -1.46 1.81 -0.86 -4.65 118.95 110.39 2yug s ARG 73 Ca 0.53 -0.76 0.09 0.00 -1.72 0.00 0.00 55.73 53.86 2yug s ARG 73 Cb -0.23 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2yug s ARG 73 CO 0.67 0.13 -0.26 0.96 -0.68 0.00 0.00 175.30 176.12 2yug s ILE 74 N 0.46 2.11 -0.23 1.52 -4.36 -0.99 0.11 121.20 119.82 2yug s ILE 74 Ca -0.17 -1.42 -0.09 0.00 -0.26 0.00 0.00 60.65 58.71 2yug s ILE 74 Cb -0.17 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 2yug s ILE 74 CO 0.07 0.32 0.11 0.00 0.24 0.00 0.00 174.94 175.68 2yug s ALA 75 N -0.84 3.42 0.30 2.27 0.00 0.50 -2.31 121.76 125.10 2yug s ALA 75 Ca 0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 2yug s ALA 75 Cb -0.10 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 2yug s ALA 75 CO 0.02 -0.20 0.63 -0.51 0.00 0.00 0.00 175.76 175.71 2yug s LEU 76 N 1.08 4.04 -0.11 0.00 1.43 -1.26 -1.27 118.68 122.60 2yug s LEU 76 Ca 0.06 0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 54.10 2yug s LEU 76 Cb -0.14 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.34 2yug s LEU 76 CO 0.04 -0.20 0.20 -0.75 0.23 0.00 0.00 176.35 175.87 2yug s LYS 77 N -3.27 0.09 0.91 1.70 2.20 -0.31 -2.30 119.74 118.76 2yug s LYS 77 Ca 0.49 0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 56.59 2yug s LYS 77 Cb -0.11 -0.27 0.15 0.00 -1.51 0.00 0.00 37.83 36.09 2yug s LYS 77 CO 0.25 -0.33 1.15 -1.54 -0.36 0.00 0.00 175.35 174.52 2yug s SER 78 N 2.34 2.89 0.38 1.43 1.04 0.65 -0.56 113.70 121.87 2yug s SER 78 Ca 0.03 2.21 0.09 0.00 0.48 0.00 0.00 55.95 58.75 2yug s SER 78 Cb -0.12 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 64.19 2yug s SER 78 CO -0.07 -3.12 1.91 1.23 0.98 0.00 0.00 173.24 174.17 2yug h GLY 79 N -1.87 0.31 1.11 7.32 0.00 -1.68 -2.66 103.07 105.61 2yug h GLY 79 Ca -0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2yug h GLY 79 CO 0.41 0.17 0.48 -0.97 0.00 0.00 0.00 176.54 176.63 2yug h TYR 80 N 0.27 1.14 0.00 5.60 0.05 -1.88 -3.47 116.97 118.69 2yug h TYR 80 Ca 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2yug h TYR 80 Cb 0.35 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2yug h TYR 80 CO 0.01 0.78 0.00 0.41 -1.05 0.00 0.00 178.16 178.31 2yug n GLY 81 N -1.19 0.74 2.91 3.88 0.00 -1.00 -5.16 105.19 105.37 2yug n GLY 81 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2yug n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yug s LYS 82 N 0.00 0.37 0.16 1.61 1.02 -1.25 -4.83 119.74 116.81 2yug s LYS 82 Ca 0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 2yug s LYS 82 Cb 0.00 -0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 36.83 2yug s LYS 82 CO 0.00 0.02 1.08 0.71 -0.92 0.00 0.00 175.35 176.24 2yug s TYR 83 N 0.26 3.62 -0.17 3.18 1.51 -1.26 -0.26 117.35 124.24 2yug s TYR 83 Ca -0.03 1.62 -0.29 0.00 -1.01 0.00 0.00 57.07 57.36 2yug s TYR 83 Cb -0.06 -3.24 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 2yug s TYR 83 CO -0.00 -0.50 1.65 -0.51 -1.11 0.00 0.00 175.55 175.07 2yug s LEU 84 N -0.20 3.99 -0.11 -1.29 1.43 -0.97 -3.69 118.68 117.83 2yug s LEU 84 Ca 0.50 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.39 2yug s LEU 84 Cb -0.28 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.43 2yug s LEU 84 CO 0.34 -1.20 -0.05 -0.83 0.23 0.00 0.00 176.35 174.83 2yug s GLY 85 N 4.16 0.77 0.49 -3.19 0.00 0.55 -4.22 107.32 105.88 2yug s GLY 85 Ca 0.73 -0.50 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 2yug s GLY 85 CO 0.29 0.91 1.05 -0.26 0.00 0.00 0.00 173.10 175.10 2yug s ILE 86 N 1.76 3.69 0.54 0.90 -4.36 -1.25 -2.72 121.20 119.75 2yug s ILE 86 Ca 0.04 1.06 -0.00 0.00 -0.26 0.00 0.00 60.65 61.50 2yug s ILE 86 Cb -0.13 -3.44 0.03 0.00 1.25 0.00 0.00 42.46 40.17 2yug s ILE 86 CO -0.08 -0.21 0.78 0.20 0.24 0.00 0.00 174.94 175.87 2yug s ASN 87 N -1.92 5.39 0.22 4.36 0.01 0.25 -4.86 114.94 118.38 2yug s ASN 87 Ca 0.68 0.16 0.05 0.00 -0.71 0.00 0.00 52.86 53.04 2yug s ASN 87 Cb -0.18 -1.12 0.19 0.00 0.41 0.00 0.00 41.25 40.55 2yug s ASN 87 CO 0.21 -1.07 1.51 0.77 -1.51 0.00 0.00 177.10 177.01 2yug h SER 88 N 0.07 0.21 -0.57 -1.22 4.64 -1.97 -3.19 113.55 111.53 2yug h SER 88 Ca -0.44 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 60.66 2yug h SER 88 Cb 1.28 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2yug h SER 88 CO 0.55 0.83 0.01 0.44 -0.87 0.00 0.00 176.83 177.79 2yug h ASP 89 N 0.13 0.97 0.00 4.97 3.32 -2.04 -3.47 116.42 120.29 2yug h ASP 89 Ca -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2yug h ASP 89 Cb 1.22 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2yug h ASP 89 CO 0.10 1.04 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 2yug n GLY 90 N -0.42 0.19 3.33 2.75 0.00 -1.20 -5.11 105.19 104.74 2yug n GLY 90 Ca 0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 2yug n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yug s LEU 91 N 0.00 0.37 -0.50 0.99 2.96 -1.26 -4.07 118.68 117.17 2yug s LEU 91 Ca 0.00 0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 54.03 2yug s LEU 91 Cb 0.00 1.68 0.08 0.00 0.50 0.00 0.00 46.19 48.45 2yug s LEU 91 CO 0.00 -0.50 0.49 -0.69 -1.32 0.00 0.00 176.35 174.33 2yug s VAL 92 N -1.29 5.11 0.19 1.68 1.01 0.58 -0.58 120.40 127.10 2yug s VAL 92 Ca -0.13 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 60.96 2yug s VAL 92 Cb -0.04 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2yug s VAL 92 CO 0.06 -0.72 -0.17 0.68 0.00 0.00 0.00 175.10 174.95 2yug s VAL 93 N 1.97 1.84 -0.30 2.92 -7.23 -1.10 -4.44 120.40 114.05 2yug s VAL 93 Ca 0.07 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2yug s VAL 93 Cb -0.24 -1.94 0.08 0.00 0.56 0.00 0.00 36.38 34.84 2yug s VAL 93 CO 0.07 -0.42 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.60 2yug s GLY 94 N -2.95 1.77 -0.35 2.32 0.00 -1.23 -0.33 107.32 106.55 2yug s GLY 94 Ca 0.19 -2.16 -0.03 0.00 0.00 0.00 0.00 44.72 42.72 2yug s GLY 94 CO 0.07 0.84 0.88 1.09 0.00 0.00 0.00 173.10 175.99 2yug s ARG 95 N 1.03 0.41 0.00 2.90 1.70 -1.24 -4.62 118.95 119.12 2yug s ARG 95 Ca 0.03 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 2yug s ARG 95 Cb -0.19 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.25 2yug s ARG 95 CO -0.07 -0.61 0.00 0.45 -1.08 0.00 0.00 175.30 173.98 2yug n SER 96 N 4.12 0.00 -2.40 -2.89 2.88 -1.26 -4.99 113.62 109.07 2yug n SER 96 Ca 0.08 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.43 2yug n SER 96 Cb 0.60 0.05 0.02 0.00 -0.75 0.00 0.00 64.21 64.14 2yug n SER 96 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yug n ASP 97 N -1.27 -5.35 -3.63 -3.46 2.03 -1.26 -4.97 116.55 98.64 2yug n ASP 97 Ca 0.00 -0.17 -0.15 0.00 0.52 0.00 0.00 54.79 54.99 2yug n ASP 97 Cb 0.00 -4.26 -0.07 0.00 -0.72 0.00 0.00 41.12 36.07 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yug s ALA 98 N -3.02 -1.57 -1.26 -1.67 0.00 -1.26 -4.94 121.76 108.03 2yug s ALA 98 Ca 0.18 1.54 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 2yug s ALA 98 Cb -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.42 2yug s ALA 98 CO 0.22 -0.32 1.79 0.42 0.00 0.00 0.00 175.76 177.87 2yug s ILE 99 N -0.25 3.96 0.74 0.00 1.01 -1.26 -4.88 121.20 120.52 2yug s ILE 99 Ca -0.04 -1.63 -0.03 0.00 0.00 0.00 0.00 60.65 58.95 2yug s ILE 99 Cb -0.03 -5.03 0.13 0.00 0.01 0.00 0.00 42.46 37.54 2yug s ILE 99 CO 0.04 -1.74 1.03 -0.83 0.00 0.00 0.00 174.94 173.43 2yug s GLY 100 N 4.86 1.76 0.08 6.18 0.00 -1.26 -4.92 107.32 114.03 2yug s GLY 100 Ca 0.58 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 2yug s GLY 100 CO 0.09 -1.04 1.49 -2.55 0.00 0.00 0.00 173.10 171.09 2yug h PRO 101 N -0.65 -0.75 -0.30 2.90 0.11 -1.97 -1.80 132.00 129.54 2yug h PRO 101 Ca -0.38 0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.85 2yug h PRO 101 Cb 1.27 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.53 2yug h PRO 101 CO 0.41 -0.50 0.21 0.00 -0.21 0.00 0.00 178.00 177.91 2yug h ARG 102 N -0.78 0.12 0.00 1.05 3.08 -1.94 0.01 114.38 115.92 2yug h ARG 102 Ca -0.03 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2yug h ARG 102 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2yug h ARG 102 CO -0.17 0.08 -0.17 0.93 -1.07 0.00 0.00 179.97 179.57 2yug h GLU 103 N 0.12 0.00 -7.08 0.04 3.07 -1.52 -3.33 114.58 105.89 2yug h GLU 103 Ca 0.14 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.45 2yug h GLU 103 Cb 0.40 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 28.48 2yug h GLU 103 CO -0.02 0.17 0.32 1.04 -1.40 0.00 0.00 179.01 179.12 2yug n GLN 104 N -4.09 0.63 -4.06 2.33 6.02 -0.01 -4.45 117.38 113.74 2yug n GLN 104 Ca -0.02 0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2yug n GLN 104 Cb 0.25 -2.39 -0.13 0.00 1.02 0.00 0.00 30.24 28.99 2yug n GLN 104 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2yug s TRP 105 N -1.75 0.47 -0.42 1.08 0.52 -0.98 -3.77 118.94 114.10 2yug s TRP 105 Ca 0.77 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.59 2yug s TRP 105 Cb -0.34 -0.29 0.14 0.00 -1.15 0.00 0.00 33.47 31.82 2yug s TRP 105 CO 0.47 -0.07 0.23 -2.00 0.02 0.00 0.00 176.95 175.60 2yug s GLU 106 N -0.91 1.11 0.65 4.98 2.12 -0.81 -2.34 118.70 123.49 2yug s GLU 106 Ca -0.06 -1.84 -0.15 0.00 0.36 0.00 0.00 54.97 53.28 2yug s GLU 106 Cb -0.06 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 32.23 2yug s GLU 106 CO -0.00 -1.17 1.12 -1.25 -0.54 0.00 0.00 175.26 173.42 2yug s PRO 107 N 0.54 2.80 0.05 4.30 0.04 -1.26 -2.84 135.00 138.63 2yug s PRO 107 Ca 0.18 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 2yug s PRO 107 Cb -0.24 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2yug s PRO 107 CO 0.01 -1.26 -0.02 0.08 0.04 0.00 0.00 177.00 175.84 2yug s VAL 108 N -2.25 0.20 -0.06 -0.36 1.01 0.58 -4.88 120.40 114.65 2yug s VAL 108 Ca 0.68 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2yug s VAL 108 Cb -0.22 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.82 2yug s VAL 108 CO 0.40 -0.93 -0.09 -0.36 0.00 0.00 0.00 175.10 174.13 2yug s PHE 109 N -3.61 1.19 -0.06 5.22 0.40 -1.26 -0.53 117.98 119.33 2yug s PHE 109 Ca 0.04 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2yug s PHE 109 Cb 0.06 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.69 2yug s PHE 109 CO -0.09 -0.26 0.12 -1.14 0.70 0.00 0.00 175.22 174.55 2yug s GLN 110 N 0.85 0.06 -1.84 0.44 2.00 -0.84 -4.84 119.66 115.49 2yug s GLN 110 Ca -0.12 0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.59 2yug s GLN 110 Cb -0.15 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.45 2yug s GLN 110 CO 0.01 -0.18 0.00 -0.25 -0.50 0.00 0.00 175.29 174.37 2yug n ASP 111 N 4.32 -5.57 0.00 6.67 8.00 -1.26 -1.38 116.55 127.33 2yug n ASP 111 Ca -0.25 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2yug n ASP 111 Cb 0.51 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 2yug n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yug n GLY 112 N -0.80 2.87 3.63 0.44 0.00 -1.26 -5.03 105.19 105.03 2yug n GLY 112 Ca -0.23 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2yug n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yug s LYS 113 N 0.00 -1.09 -0.08 1.61 -0.14 -0.48 -4.74 119.74 114.83 2yug s LYS 113 Ca 0.00 -0.12 -0.10 0.00 -1.36 0.00 0.00 55.97 54.39 2yug s LYS 113 Cb 0.00 -1.62 0.02 0.00 -1.68 0.00 0.00 37.83 34.56 2yug s LYS 113 CO 0.00 -3.61 0.26 0.00 -0.76 0.00 0.00 175.35 171.24 2yug s MET 114 N -5.47 0.38 0.01 1.68 0.23 -1.24 -1.98 119.30 112.92 2yug s MET 114 Ca 0.71 0.20 0.01 0.00 -1.03 0.00 0.00 55.69 55.59 2yug s MET 114 Cb -0.09 0.18 -0.01 0.00 -1.53 0.00 0.00 34.83 33.38 2yug s MET 114 CO 0.56 -0.07 -0.05 0.00 -2.03 0.00 0.00 175.02 173.43 2yug s ALA 115 N -0.24 0.34 -0.86 3.16 0.00 0.31 0.24 121.76 124.72 2yug s ALA 115 Ca -0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2yug s ALA 115 Cb -0.03 -0.02 0.19 0.00 0.00 0.00 0.00 23.12 23.26 2yug s ALA 115 CO 0.01 0.02 0.89 -1.17 0.00 0.00 0.00 175.76 175.51 2yug s LEU 116 N -0.61 6.15 0.12 0.00 2.96 -1.26 -0.31 118.68 125.74 2yug s LEU 116 Ca -0.03 -2.44 -0.31 0.00 -0.22 0.00 0.00 54.13 51.13 2yug s LEU 116 Cb -0.04 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.30 2yug s LEU 116 CO -0.00 -0.75 1.29 -0.22 -1.32 0.00 0.00 176.35 175.35 2yug s LEU 117 N 1.08 4.39 0.87 -0.68 2.96 -1.13 -3.39 118.68 122.77 2yug s LEU 117 Ca 0.23 2.22 -0.12 0.00 -0.22 0.00 0.00 54.13 56.24 2yug s LEU 117 Cb -0.09 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.13 2yug s LEU 117 CO -0.09 -0.54 1.14 0.00 -1.32 0.00 0.00 176.35 175.55 2yug s ALA 118 N 0.81 2.07 -0.44 5.97 0.00 0.13 -1.93 121.76 128.38 2yug s ALA 118 Ca 0.60 -0.53 0.21 0.00 0.00 0.00 0.00 51.96 52.24 2yug s ALA 118 Cb -0.34 -3.02 0.98 0.00 0.00 0.00 0.00 23.12 20.74 2yug s ALA 118 CO 0.32 -2.05 1.64 0.45 0.00 0.00 0.00 175.76 176.12 2yug n SER 119 N -3.60 0.55 -1.50 0.00 2.88 -1.25 -1.80 113.62 108.91 2yug n SER 119 Ca 0.07 0.68 0.03 0.00 -1.33 0.00 0.00 58.87 58.32 2yug n SER 119 Cb 0.59 -0.78 0.27 0.00 -0.75 0.00 0.00 64.21 63.54 2yug n SER 119 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2yug n ASN 120 N -2.16 4.22 -3.50 -3.46 0.23 -1.26 -4.91 115.26 104.41 2yug n ASN 120 Ca 0.01 -2.68 -0.20 0.00 -0.53 0.00 0.00 54.58 51.18 2yug n ASN 120 Cb 0.14 -0.64 0.06 0.00 -2.08 0.00 0.00 39.78 37.26 2yug n ASN 120 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2yug n SER 121 N 0.35 -3.22 -3.67 0.53 2.88 -0.75 -5.01 113.62 104.73 2yug n SER 121 Ca 0.21 -0.75 -0.12 0.00 -1.33 0.00 0.00 58.87 56.88 2yug n SER 121 Cb 0.94 -4.60 -0.08 0.00 -0.75 0.00 0.00 64.21 59.71 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yug s PHE 123 N 0.75 1.92 0.37 0.00 0.08 -1.14 0.20 117.98 120.16 2yug s PHE 123 Ca -0.03 1.12 -0.01 0.00 0.12 0.00 0.00 56.93 58.13 2yug s PHE 123 Cb -0.05 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 2yug s PHE 123 CO -0.06 -3.06 0.59 0.96 -0.10 0.00 0.00 175.22 173.55 2yug s ILE 124 N -2.81 5.07 0.06 0.64 -4.36 -1.22 0.14 121.20 118.72 2yug s ILE 124 Ca 0.66 -0.34 -0.27 0.00 -0.26 0.00 0.00 60.65 60.44 2yug s ILE 124 Cb -0.20 -3.86 0.09 0.00 1.25 0.00 0.00 42.46 39.74 2yug s ILE 124 CO 0.59 -0.60 0.82 -0.60 0.24 0.00 0.00 174.94 175.40 2yug s ARG 125 N -4.35 1.00 0.46 0.37 6.06 0.15 -4.47 118.95 118.16 2yug s ARG 125 Ca 0.41 -0.40 0.06 0.00 -2.50 0.00 0.00 55.73 53.31 2yug s ARG 125 Cb -0.10 0.44 -0.02 0.00 0.06 0.00 0.00 34.95 35.33 2yug s ARG 125 CO 0.37 -0.44 0.27 0.00 -2.50 0.00 0.00 175.30 173.00 2yug s ASN 127 N -4.05 2.39 0.21 0.00 0.01 -1.20 -4.79 114.94 107.51 2yug s ASN 127 Ca 0.37 -1.05 -0.05 0.00 -0.71 0.00 0.00 52.86 51.43 2yug s ASN 127 Cb 0.01 -0.11 0.18 0.00 0.41 0.00 0.00 41.25 41.74 2yug s ASN 127 CO 0.21 -0.24 1.64 1.05 -1.51 0.00 0.00 177.10 178.25 2yug h GLU 128 N 2.57 0.81 -0.18 -0.60 4.11 -2.02 -2.97 114.58 116.31 2yug h GLU 128 Ca -0.38 -0.31 -0.14 0.00 0.07 0.00 0.00 59.36 58.60 2yug h GLU 128 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2yug h GLU 128 CO 0.63 0.93 -0.48 0.00 0.07 0.00 0.00 179.01 180.17 2yug h ALA 129 N 1.07 0.85 0.00 1.06 0.00 -2.02 -3.47 119.26 116.75 2yug h ALA 129 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2yug h ALA 129 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2yug h ALA 129 CO 0.05 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2yug n GLY 130 N 0.08 1.04 2.94 0.00 0.00 -1.12 -4.98 105.19 103.14 2yug n GLY 130 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2yug n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yug s ASP 131 N -1.85 4.47 -0.33 1.61 1.01 -1.26 -4.00 116.67 116.32 2yug s ASP 131 Ca 0.00 -1.88 -0.29 0.00 0.71 0.00 0.00 52.55 51.09 2yug s ASP 131 Cb 0.00 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.53 2yug s ASP 131 CO 0.00 -0.36 1.67 -0.63 0.21 0.00 0.00 175.17 176.06 2yug s ILE 132 N 1.14 3.62 0.53 0.77 -1.09 -1.11 -3.21 121.20 121.85 2yug s ILE 132 Ca 0.08 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2yug s ILE 132 Cb -0.19 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2yug s ILE 132 CO -0.12 -0.48 0.01 -1.83 -1.23 0.00 0.00 174.94 171.29 2yug s GLU 133 N 5.30 2.23 -0.23 2.79 -1.05 0.43 -0.31 118.70 127.86 2yug s GLU 133 Ca 0.74 -2.44 -0.07 0.00 -0.15 0.00 0.00 54.97 53.05 2yug s GLU 133 Cb -0.21 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.93 2yug s GLU 133 CO 0.33 -0.41 0.05 0.00 0.95 0.00 0.00 175.26 176.18 2yug s ALA 134 N -2.90 3.17 0.87 -0.84 0.00 -1.26 0.34 121.76 121.14 2yug s ALA 134 Ca 0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2yug s ALA 134 Cb 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 23.12 21.25 2yug s ALA 134 CO 0.01 -0.29 1.15 0.21 0.00 0.00 0.00 175.76 176.83 2yug s LYS 135 N 1.26 1.50 1.39 0.00 2.36 0.12 -4.88 119.74 121.49 2yug s LYS 135 Ca 0.04 0.25 -0.21 0.00 -2.55 0.00 0.00 55.97 53.50 2yug s LYS 135 Cb -0.15 -1.88 0.35 0.00 -1.05 0.00 0.00 37.83 35.10 2yug s LYS 135 CO 0.03 -1.94 0.87 0.09 1.55 0.00 0.00 175.35 175.95 2yug n ASN 136 N -3.58 -3.54 0.15 1.43 4.13 -1.26 -2.89 115.26 109.70 2yug n ASN 136 Ca 0.07 -0.67 0.04 0.00 1.68 0.00 0.00 54.58 55.70 2yug n ASN 136 Cb 0.60 -1.06 0.46 0.00 -1.54 0.00 0.00 39.78 38.24 2yug n ASN 136 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2yug h LYS 137 N -3.37 0.19 -6.68 3.52 1.57 -1.96 -3.29 116.57 106.56 2yug h LYS 137 Ca -0.46 -0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 2yug h LYS 137 Cb 1.32 -0.03 0.07 0.00 0.08 0.00 0.00 32.23 33.66 2yug h LYS 137 CO 0.31 0.27 0.90 0.25 -0.57 0.00 0.00 179.45 180.61 2yug n THR 138 N -4.36 0.47 -4.26 -0.16 -2.24 -1.26 -4.79 114.28 97.68 2yug n THR 138 Ca -0.01 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 2yug n THR 138 Cb 0.20 -1.87 -0.08 0.00 -2.10 0.00 0.00 70.33 66.48 2yug n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yug s ALA 139 N 0.59 3.07 0.26 6.98 0.00 -1.26 -4.92 121.76 126.47 2yug s ALA 139 Ca 0.71 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2yug s ALA 139 Cb -0.54 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2yug s ALA 139 CO 0.41 0.44 0.30 0.20 0.00 0.00 0.00 175.76 177.11 2yug s GLY 140 N -2.99 1.44 0.48 0.00 0.00 -1.26 -4.98 107.32 100.00 2yug s GLY 140 Ca 0.27 -1.57 0.14 0.00 0.00 0.00 0.00 44.72 43.55 2yug s GLY 140 CO 0.17 -1.18 2.09 0.83 0.00 0.00 0.00 173.10 175.01 2yug h GLU 141 N 2.35 0.21 0.02 2.90 4.39 -2.01 -0.84 114.58 121.61 2yug h GLU 141 Ca -0.30 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.12 2yug h GLU 141 Cb 1.24 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 2yug h GLU 141 CO 0.43 0.14 -1.45 1.05 -1.16 0.00 0.00 179.01 178.02 2yug h GLU 142 N 0.22 0.05 -0.03 2.33 4.11 -1.99 -3.32 114.58 115.95 2yug h GLU 142 Ca 0.10 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.35 2yug h GLU 142 Cb 0.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2yug h GLU 142 CO -0.02 0.78 -0.42 1.49 0.07 0.00 0.00 179.01 180.91 2yug h GLU 143 N 0.01 0.06 -6.90 1.06 4.57 -1.71 -3.44 114.58 108.23 2yug h GLU 143 Ca -0.19 -0.03 -0.55 0.00 -1.18 0.00 0.00 59.36 57.42 2yug h GLU 143 Cb 1.93 -0.00 0.11 0.00 -0.16 0.00 0.00 28.75 30.63 2yug h GLU 143 CO 0.11 0.47 0.74 -1.33 -1.18 0.00 0.00 179.01 177.82 2yug n MET 144 N -4.03 2.60 -4.57 1.92 2.81 -0.40 -4.88 117.12 110.57 2yug n MET 144 Ca -0.02 0.91 -0.30 0.00 -1.81 0.00 0.00 57.70 56.48 2yug n MET 144 Cb 0.46 -2.62 -0.07 0.00 -0.71 0.00 0.00 33.22 30.27 2yug n MET 144 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2yug s ILE 145 N -1.06 1.49 -0.31 2.02 -4.36 0.14 -4.95 121.20 114.16 2yug s ILE 145 Ca 0.54 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2yug s ILE 145 Cb -0.49 -2.39 0.10 0.00 1.25 0.00 0.00 42.46 40.92 2yug s ILE 145 CO 0.63 0.00 0.09 -0.54 0.24 0.00 0.00 174.94 175.36 2yug s LYS 146 N -3.90 0.86 -0.61 0.37 1.02 -1.17 -3.64 119.74 112.66 2yug s LYS 146 Ca 0.18 -1.22 -0.27 0.00 0.02 0.00 0.00 55.97 54.68 2yug s LYS 146 Cb 0.03 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2yug s LYS 146 CO 0.10 -0.98 1.16 0.42 -0.92 0.00 0.00 175.35 175.13 2yug s ILE 147 N 1.48 4.04 0.30 2.17 1.09 -1.26 -3.01 121.20 126.01 2yug s ILE 147 Ca 0.10 0.64 -0.14 0.00 -1.10 0.00 0.00 60.65 60.15 2yug s ILE 147 Cb -0.18 -4.73 -0.09 0.00 -1.06 0.00 0.00 42.46 36.41 2yug s ILE 147 CO -0.22 -1.41 0.70 -0.13 -0.10 0.00 0.00 174.94 173.78 2yug s ARG 148 N 4.90 3.97 -0.03 2.79 0.52 0.13 -3.08 118.95 128.16 2yug s ARG 148 Ca 0.38 0.60 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 2yug s ARG 148 Cb -0.09 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.90 2yug s ARG 148 CO 0.22 0.20 -0.03 0.45 0.02 0.00 0.00 175.30 176.15 2yug s SER 149 N -2.26 0.68 -0.40 0.23 0.15 -0.82 -0.73 113.70 110.56 2yug s SER 149 Ca 0.52 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 57.14 2yug s SER 149 Cb -0.11 -0.27 0.56 0.00 -1.71 0.00 0.00 66.02 64.49 2yug s SER 149 CO 0.18 -0.03 1.68 0.00 1.20 0.00 0.00 173.24 176.28 2yug s ALA 151 N -3.37 3.04 -0.17 0.00 0.00 -1.26 -4.96 121.76 115.03 2yug s ALA 151 Ca 0.52 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 2yug s ALA 151 Cb 0.45 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 2yug s ALA 151 CO 0.04 -1.09 1.90 -1.21 0.00 0.00 0.00 175.76 175.40 2yug s GLU 152 N -5.24 3.62 1.14 0.00 8.01 -1.26 -4.98 118.70 119.99 2yug s GLU 152 Ca 0.57 1.96 -0.19 0.00 0.01 0.00 0.00 54.97 57.32 2yug s GLU 152 Cb -0.11 -4.19 0.29 0.00 -4.31 0.00 0.00 34.13 25.81 2yug s GLU 152 CO 0.49 -1.53 0.94 0.54 0.01 0.00 0.00 175.26 175.70 2yug n ARG 153 N 8.05 -3.26 -3.19 1.61 1.74 -1.26 -4.94 116.66 115.41 2yug n ARG 153 Ca 0.23 -1.51 -0.45 0.00 -0.77 0.00 0.00 57.85 55.35 2yug n ARG 153 Cb 0.44 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2yug n ARG 153 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yug s GLU 154 N -5.15 4.14 0.00 5.56 2.02 -1.26 -5.30 118.70 118.72 2yug s GLU 154 Ca 0.63 -2.95 0.00 0.00 0.02 0.00 0.00 54.97 52.67 2yug s GLU 154 Cb -0.07 -4.74 0.00 0.00 0.10 0.00 0.00 34.13 29.42 2yug s GLU 154 CO 0.49 -1.44 0.42 0.25 0.02 0.00 0.00 175.26 175.00