#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yug n SER 2 N 0.00 -0.53 -4.83 1.61 7.64 -1.26 -5.13 113.62 111.12 2yug n SER 2 Ca 0.00 0.12 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 2yug n SER 2 Cb 0.00 0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 64.03 2yug n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yug s SER 3 N -2.00 6.95 0.00 6.43 0.15 -1.26 -5.03 113.70 118.94 2yug s SER 3 Ca 0.00 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2yug s SER 3 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2yug s SER 3 CO 0.00 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2yug n GLY 4 N 0.86 4.04 2.85 9.45 0.00 -1.26 -5.14 105.19 115.99 2yug n GLY 4 Ca -0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2yug n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yug s SER 5 N 1.72 0.84 0.50 1.61 0.01 -1.26 -5.13 113.70 112.00 2yug s SER 5 Ca 0.00 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2yug s SER 5 Cb 0.00 0.86 0.00 0.00 0.21 0.00 0.00 66.02 67.09 2yug s SER 5 CO 0.00 -0.34 0.00 -0.24 0.41 0.00 0.00 173.24 173.07 2yug n SER 6 N 5.10 -8.63 0.00 2.44 2.88 -1.26 -5.08 113.62 109.07 2yug n SER 6 Ca 0.02 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2yug n SER 6 Cb 0.48 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 2yug n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yug n GLY 7 N -4.33 4.51 3.76 0.46 0.00 -1.26 -5.11 105.19 103.23 2yug n GLY 7 Ca -0.05 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 4.45 -0.04 0.99 1.98 -1.26 -4.94 118.68 119.86 2yug s LEU 8 Ca 0.00 2.26 -0.30 0.00 -2.89 0.00 0.00 54.13 53.20 2yug s LEU 8 Cb 0.00 -3.75 -0.08 0.00 0.66 0.00 0.00 46.19 43.02 2yug s LEU 8 CO 0.00 -0.26 2.04 -0.67 -1.89 0.00 0.00 176.35 175.58 2yug n ASP 9 N 0.88 3.87 -3.69 3.68 2.03 -1.26 -4.95 116.55 117.11 2yug n ASP 9 Ca 0.00 0.71 -0.10 0.00 0.52 0.00 0.00 54.79 55.93 2yug n ASP 9 Cb 0.46 -1.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 2yug n ASP 9 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2yug s ILE 10 N 5.51 -0.14 -0.30 5.18 2.07 -1.26 -2.47 121.20 129.80 2yug s ILE 10 Ca 0.93 0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 60.25 2yug s ILE 10 Cb -0.43 -0.62 0.10 0.00 0.13 0.00 0.00 42.46 41.64 2yug s ILE 10 CO 0.41 0.04 0.13 -0.69 -1.91 0.00 0.00 174.94 172.92 2yug s VAL 11 N 1.64 0.19 0.00 4.00 1.01 -0.34 -4.98 120.40 121.92 2yug s VAL 11 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2yug s VAL 11 Cb -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2yug s VAL 11 CO -0.13 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 174.86 2yug n GLY 12 N 5.10 2.14 1.55 4.51 0.00 -1.26 -3.00 105.19 114.22 2yug n GLY 12 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.10 -3.99 -0.61 -5.35 -1.26 -5.08 119.36 103.17 2yug n ILE 13 Ca 0.00 -1.00 -0.17 0.00 -0.27 0.00 0.00 62.75 61.31 2yug n ILE 13 Cb 0.00 0.95 -0.16 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.30 0.40 -0.04 4.28 0.52 -1.16 -3.94 118.94 118.70 2yug s TRP 14 Ca 0.28 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.38 2yug s TRP 14 Cb 0.33 -0.44 0.01 0.00 -1.15 0.00 0.00 33.47 32.21 2yug s TRP 14 CO -0.13 -0.13 -0.11 1.67 0.02 0.00 0.00 176.95 178.27 2yug s TRP 15 N 0.90 1.17 0.07 -1.98 1.48 -1.01 -1.19 118.94 118.39 2yug s TRP 15 Ca -0.10 -0.34 -0.31 0.00 -1.06 0.00 0.00 56.10 54.30 2yug s TRP 15 Cb -0.13 -0.84 -0.09 0.00 -1.16 0.00 0.00 33.47 31.25 2yug s TRP 15 CO -0.01 -0.15 1.79 0.99 -4.06 0.00 0.00 176.95 175.50 2yug s THR 16 N 0.32 2.89 1.34 0.66 2.01 -1.03 -1.85 115.64 119.98 2yug s THR 16 Ca -0.06 0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 2yug s THR 16 Cb -0.11 -3.16 0.34 0.00 0.01 0.00 0.00 72.50 69.58 2yug s THR 16 CO 0.01 -0.01 1.02 0.68 -0.69 0.00 0.00 174.62 175.64 2yug s VAL 17 N 3.21 1.34 0.00 3.82 -7.23 -0.98 -4.83 120.40 115.72 2yug s VAL 17 Ca 0.80 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 2yug s VAL 17 Cb -0.42 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2yug s VAL 17 CO 0.36 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.95 2yug n SER 18 N -5.27 1.33 -4.11 4.85 7.64 -1.26 -5.01 113.62 111.79 2yug n SER 18 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.75 2yug n SER 18 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 2yug n SER 18 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2yug n ASN 19 N -2.48 2.38 0.03 6.43 6.94 -1.26 -4.96 115.26 122.34 2yug n ASN 19 Ca 0.00 -3.02 -0.10 0.00 -0.02 0.00 0.00 54.58 51.45 2yug n ASN 19 Cb 0.32 0.60 0.05 0.00 -2.36 0.00 0.00 39.78 38.39 2yug n ASN 19 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2yug h PHE 20 N 1.40 0.62 -0.14 -2.53 3.57 -1.96 -3.07 116.94 114.85 2yug h PHE 20 Ca -0.35 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 60.95 2yug h PHE 20 Cb 1.15 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2yug h PHE 20 CO 0.00 0.98 0.12 0.78 -2.23 0.00 0.00 178.31 177.97 2yug h GLY 21 N 1.15 0.00 1.99 2.40 0.00 -2.04 -0.54 103.07 106.03 2yug h GLY 21 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2yug h GLY 21 CO 0.11 0.00 -0.73 0.83 0.00 0.00 0.00 176.54 176.76 2yug h GLU 22 N 0.00 0.01 -5.86 4.80 4.39 -1.95 -3.41 114.58 112.55 2yug h GLU 22 Ca 0.07 -0.01 -0.43 0.00 0.34 0.00 0.00 59.36 59.33 2yug h GLU 22 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2yug h GLU 22 CO -0.00 0.73 1.18 0.42 -1.16 0.00 0.00 179.01 180.18 2yug s ILE 23 N -3.36 3.34 -0.19 3.13 1.01 -0.21 -4.90 121.20 120.02 2yug s ILE 23 Ca -0.01 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 2yug s ILE 23 Cb 0.12 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.79 2yug s ILE 23 CO 0.78 -0.82 0.60 -0.94 0.00 0.00 0.00 174.94 174.56 2yug s SER 24 N 8.50 -0.61 1.03 3.58 1.04 -1.26 -4.73 113.70 121.25 2yug s SER 24 Ca 0.71 1.07 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2yug s SER 24 Cb -0.11 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.08 2yug s SER 24 CO 0.15 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2yug n GLY 25 N 2.37 0.64 3.80 7.32 0.00 -1.26 -4.78 105.19 113.27 2yug n GLY 25 Ca -0.15 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 2yug n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yug s THR 26 N 0.00 5.13 -0.11 2.61 2.01 -1.26 0.91 115.64 124.93 2yug s THR 26 Ca 0.00 0.77 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 2yug s THR 26 Cb 0.00 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2yug s THR 26 CO 0.00 0.51 0.33 0.27 -0.69 0.00 0.00 174.62 175.04 2yug s ILE 27 N -0.52 0.01 -0.14 1.82 -4.36 0.49 -3.28 121.20 115.22 2yug s ILE 27 Ca 0.22 -0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.52 2yug s ILE 27 Cb -0.15 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.04 2yug s ILE 27 CO 0.11 -0.04 -0.03 0.00 0.24 0.00 0.00 174.94 175.22 2yug s ALA 28 N -0.02 3.07 -0.19 2.27 0.00 0.41 -2.75 121.76 124.55 2yug s ALA 28 Ca -0.02 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2yug s ALA 28 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2yug s ALA 28 CO 0.01 0.28 0.04 0.42 0.00 0.00 0.00 175.76 176.51 2yug s ILE 29 N 0.13 4.45 -0.20 0.00 1.01 -1.26 -0.47 121.20 124.86 2yug s ILE 29 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 2yug s ILE 29 Cb -0.13 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 2yug s ILE 29 CO 0.03 0.44 -0.01 -0.70 0.00 0.00 0.00 174.94 174.70 2yug s GLU 30 N 0.64 3.61 -0.28 2.79 2.12 -1.21 -3.74 118.70 122.64 2yug s GLU 30 Ca 0.02 -0.53 -0.13 0.00 0.36 0.00 0.00 54.97 54.69 2yug s GLU 30 Cb -0.13 -3.06 -0.13 0.00 0.26 0.00 0.00 34.13 31.07 2yug s GLU 30 CO 0.02 0.02 -0.33 -1.33 -0.54 0.00 0.00 175.26 173.10 2yug n MET 31 N 4.21 0.60 -3.04 4.30 2.81 -1.25 -3.03 117.12 121.72 2yug n MET 31 Ca -0.17 0.26 -0.20 0.00 -1.81 0.00 0.00 57.70 55.78 2yug n MET 31 Cb 0.52 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.60 2yug n MET 31 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yug s ASP 32 N -7.39 5.00 -1.13 7.83 1.11 -1.25 -4.92 116.67 115.92 2yug s ASP 32 Ca -0.38 -0.91 -0.21 0.00 0.18 0.00 0.00 52.55 51.22 2yug s ASP 32 Cb 0.14 0.45 0.04 0.00 1.07 0.00 0.00 42.92 44.63 2yug s ASP 32 CO 0.51 -1.44 1.63 -0.75 1.18 0.00 0.00 175.17 176.30 2yug s LYS 33 N -4.72 3.59 0.00 8.23 2.47 -1.26 -3.64 119.74 124.41 2yug s LYS 33 Ca 0.63 -1.41 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 2yug s LYS 33 Cb -0.05 -5.40 0.00 0.00 -1.46 0.00 0.00 37.83 30.92 2yug s LYS 33 CO 0.40 -2.44 0.00 0.41 0.16 0.00 0.00 175.35 173.88 2yug n GLY 34 N 6.23 2.09 3.85 5.54 0.00 -1.26 -4.95 105.19 116.69 2yug n GLY 34 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.29 2.84 0.03 4.61 0.00 -1.24 -4.10 121.76 121.62 2yug s ALA 35 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2yug s ALA 35 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2yug s ALA 35 CO 0.00 -1.04 -0.02 0.71 0.00 0.00 0.00 175.76 175.42 2yug s TYR 36 N -3.16 0.37 -0.38 0.00 2.02 -1.24 -3.85 117.35 111.11 2yug s TYR 36 Ca 0.57 -0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 56.24 2yug s TYR 36 Cb -0.12 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2yug s TYR 36 CO 0.54 -0.29 2.19 0.42 -1.57 0.00 0.00 175.55 176.84 2yug s ILE 37 N -2.65 3.12 0.31 2.71 1.01 -1.25 0.10 121.20 124.55 2yug s ILE 37 Ca -0.05 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 2yug s ILE 37 Cb -0.01 -3.21 -0.07 0.00 0.01 0.00 0.00 42.46 39.18 2yug s ILE 37 CO -0.05 -0.17 0.65 -2.28 0.00 0.00 0.00 174.94 173.09 2yug s HIS 38 N 9.61 3.43 -0.17 3.97 2.46 -0.57 -4.63 115.29 129.39 2yug s HIS 38 Ca 0.93 0.96 -0.02 0.00 0.47 0.00 0.00 55.06 57.39 2yug s HIS 38 Cb -0.23 -2.34 -0.01 0.00 -0.13 0.00 0.00 32.58 29.86 2yug s HIS 38 CO 0.30 0.11 -0.09 0.00 -2.47 0.00 0.00 174.74 172.59 2yug s ALA 39 N -2.05 2.74 0.78 1.58 0.00 -1.25 -2.59 121.76 120.98 2yug s ALA 39 Ca 0.49 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 2yug s ALA 39 Cb -0.11 -1.44 0.12 0.00 0.00 0.00 0.00 23.12 21.69 2yug s ALA 39 CO 0.25 -0.02 1.09 -0.51 0.00 0.00 0.00 175.76 176.57 2yug s LEU 40 N 0.79 2.85 -0.15 0.00 1.43 0.24 -4.95 118.68 118.89 2yug s LEU 40 Ca -0.03 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2yug s LEU 40 Cb -0.15 -2.50 -0.23 0.00 0.03 0.00 0.00 46.19 43.34 2yug s LEU 40 CO 0.01 -2.00 0.23 -0.67 0.23 0.00 0.00 176.35 174.15 2yug n ASP 41 N -3.12 1.24 0.17 2.29 2.03 -1.26 -4.21 116.55 113.68 2yug n ASP 41 Ca 0.12 0.13 0.06 0.00 0.52 0.00 0.00 54.79 55.63 2yug n ASP 41 Cb 0.60 -0.09 0.56 0.00 -0.72 0.00 0.00 41.12 41.47 2yug n ASP 41 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2yug h ASN 42 N 0.02 0.17 0.00 1.67 -1.24 -2.00 -3.45 115.58 110.74 2yug h ASN 42 Ca -0.46 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2yug h ASN 42 Cb 2.05 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 41.06 2yug h ASN 42 CO 0.03 0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 2yug n GLY 43 N -1.49 0.75 3.31 1.57 0.00 -1.26 -5.12 105.19 102.95 2yug n GLY 43 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2yug n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yug s LEU 44 N 0.00 1.72 -0.05 0.99 1.43 -1.26 -4.39 118.68 117.11 2yug s LEU 44 Ca 0.00 -1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 51.31 2yug s LEU 44 Cb 0.00 0.67 0.03 0.00 0.03 0.00 0.00 46.19 46.93 2yug s LEU 44 CO 0.00 -1.11 0.07 -0.36 0.23 0.00 0.00 176.35 175.19 2yug s PHE 45 N -3.33 0.04 0.29 0.29 0.40 -1.26 -0.60 117.98 113.81 2yug s PHE 45 Ca 0.40 0.28 0.11 0.00 -0.60 0.00 0.00 56.93 57.11 2yug s PHE 45 Cb 0.02 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 43.03 2yug s PHE 45 CO 0.28 -0.22 -0.10 -0.08 0.70 0.00 0.00 175.22 175.80 2yug s THR 46 N 2.18 2.72 -0.17 0.64 -1.32 -1.07 -3.75 115.64 114.87 2yug s THR 46 Ca 0.05 -2.19 -0.28 0.00 -1.21 0.00 0.00 61.69 58.06 2yug s THR 46 Cb -0.12 -2.56 -0.06 0.00 -1.51 0.00 0.00 72.50 68.25 2yug s THR 46 CO -0.04 -0.33 2.17 -0.22 -2.21 0.00 0.00 174.62 173.99 2yug s LEU 47 N -3.60 3.63 0.52 9.08 2.96 -1.25 -1.52 118.68 128.50 2yug s LEU 47 Ca 0.31 2.03 -0.23 0.00 -0.22 0.00 0.00 54.13 56.03 2yug s LEU 47 Cb -0.04 -3.51 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 2yug s LEU 47 CO 0.17 -1.80 1.33 0.61 -1.32 0.00 0.00 176.35 175.34 2yug n GLY 48 N 5.53 0.69 3.74 7.98 0.00 0.28 -4.82 105.19 118.61 2yug n GLY 48 Ca 0.28 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 2yug n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yug s ALA 49 N -1.27 3.71 0.58 4.61 0.00 -1.26 -3.67 121.76 124.45 2yug s ALA 49 Ca 0.69 1.46 -0.19 0.00 0.00 0.00 0.00 51.96 53.92 2yug s ALA 49 Cb -0.44 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 2yug s ALA 49 CO 0.52 -0.87 1.16 -1.25 0.00 0.00 0.00 175.76 175.32 2yug s PRO 50 N -0.25 3.13 -0.13 0.00 0.04 -1.26 -4.68 135.00 131.85 2yug s PRO 50 Ca 0.63 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 2yug s PRO 50 Cb -0.45 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2yug s PRO 50 CO 0.44 -1.04 0.31 -1.01 0.04 0.00 0.00 177.00 175.74 2yug s HIS 51 N -1.75 3.51 0.06 0.56 3.76 -1.26 -4.98 115.29 115.19 2yug s HIS 51 Ca 0.74 0.67 -0.25 0.00 -0.15 0.00 0.00 55.06 56.07 2yug s HIS 51 Cb -0.26 -2.32 -0.17 0.00 1.11 0.00 0.00 32.58 30.94 2yug s HIS 51 CO 0.31 0.33 1.60 -0.09 -0.85 0.00 0.00 174.74 176.03 2yug h ARG 52 N 6.27 -0.14 -7.12 1.40 2.43 -1.97 -3.43 114.38 111.81 2yug h ARG 52 Ca -0.44 0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.25 2yug h ARG 52 Cb 1.18 0.03 0.06 0.00 -0.42 0.00 0.00 29.97 30.82 2yug h ARG 52 CO 0.72 0.01 0.40 -1.21 -1.51 0.00 0.00 179.97 178.38 2yug s GLU 53 N -5.69 3.42 0.10 0.20 8.01 -1.26 -4.97 118.70 118.51 2yug s GLU 53 Ca -0.14 1.40 0.07 0.00 0.01 0.00 0.00 54.97 56.31 2yug s GLU 53 Cb 0.05 -2.03 -0.22 0.00 -4.31 0.00 0.00 34.13 27.61 2yug s GLU 53 CO 0.65 -0.75 1.20 0.28 0.01 0.00 0.00 175.26 176.65 2yug h VAL 54 N 0.99 1.61 -1.09 2.63 2.07 -2.04 -3.31 116.25 117.10 2yug h VAL 54 Ca -0.49 -3.32 -0.56 0.00 0.82 0.00 0.00 66.70 63.15 2yug h VAL 54 Cb 1.24 2.81 -0.22 0.00 -1.52 0.00 0.00 31.29 33.60 2yug h VAL 54 CO 0.57 0.92 0.69 -0.90 0.02 0.00 0.00 177.57 178.87 2yug n ASP 55 N -3.33 7.07 -4.32 0.57 5.68 -1.26 -4.89 116.55 116.06 2yug n ASP 55 Ca -0.03 -3.48 -0.38 0.00 -0.50 0.00 0.00 54.79 50.41 2yug n ASP 55 Cb 0.96 -1.08 -0.12 0.00 -1.14 0.00 0.00 41.12 39.74 2yug n ASP 55 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2yug s GLU 56 N -2.87 2.82 0.65 0.11 2.56 -1.25 -4.93 118.70 115.79 2yug s GLU 56 Ca 0.52 -1.05 -0.11 0.00 0.00 0.00 0.00 54.97 54.33 2yug s GLU 56 Cb 0.40 -3.50 -0.02 0.00 2.00 0.00 0.00 34.13 33.01 2yug s GLU 56 CO -0.14 -0.60 1.05 0.20 -0.56 0.00 0.00 175.26 175.20 2yug s GLY 57 N 1.47 1.65 0.98 -1.50 0.00 -1.26 -5.00 107.32 103.67 2yug s GLY 57 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 2yug s GLY 57 CO 0.04 0.19 1.10 2.56 0.00 0.00 0.00 173.10 176.98 2yug s PRO 58 N -5.19 0.55 0.30 2.90 0.04 -1.26 -5.07 135.00 127.27 2yug s PRO 58 Ca 0.56 0.53 0.06 0.00 0.04 0.00 0.00 61.00 62.20 2yug s PRO 58 Cb -0.12 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2yug s PRO 58 CO 0.54 -2.65 0.43 -1.12 0.04 0.00 0.00 177.00 174.24 2yug s SER 59 N -3.49 6.11 0.19 6.66 0.01 -1.26 -4.88 113.70 117.04 2yug s SER 59 Ca 0.65 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 2yug s SER 59 Cb -0.18 -1.48 0.15 0.00 0.21 0.00 0.00 66.02 64.72 2yug s SER 59 CO 0.57 -0.29 1.63 -0.65 0.41 0.00 0.00 173.24 174.91 2yug h PRO 60 N 1.00 -0.06 0.00 12.44 0.11 -1.97 0.62 132.00 144.13 2yug h PRO 60 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2yug h PRO 60 Cb 1.25 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2yug h PRO 60 CO 0.56 -0.04 -0.15 -1.00 -0.21 0.00 0.00 178.00 177.16 2yug h PRO 61 N -0.06 0.00 0.02 1.05 0.13 -1.95 -2.66 132.00 128.52 2yug h PRO 61 Ca 0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.10 2yug h PRO 61 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 2yug h PRO 61 CO -0.55 0.15 -1.43 1.49 -0.23 0.00 0.00 178.00 177.43 2yug h GLU 62 N 0.00 0.05 -7.22 0.86 4.81 -1.25 -3.32 114.58 108.52 2yug h GLU 62 Ca -0.00 -0.09 -0.51 0.00 -0.13 0.00 0.00 59.36 58.63 2yug h GLU 62 Cb 0.40 0.03 0.12 0.00 0.63 0.00 0.00 28.75 29.93 2yug h GLU 62 CO 0.02 0.80 0.36 -0.65 -0.73 0.00 0.00 179.01 178.81 2yug s GLN 63 N -2.64 2.51 0.16 1.92 -0.21 0.20 -4.73 119.66 116.86 2yug s GLN 63 Ca -0.04 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.79 2yug s GLN 63 Cb 0.08 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 32.14 2yug s GLN 63 CO 0.83 -1.49 -0.02 -0.06 -2.12 0.00 0.00 175.29 172.43 2yug s PHE 64 N -2.39 1.16 -0.05 0.91 0.08 -1.11 -2.67 117.98 113.91 2yug s PHE 64 Ca 0.67 -0.97 0.04 0.00 0.12 0.00 0.00 56.93 56.79 2yug s PHE 64 Cb -0.21 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 2yug s PHE 64 CO 0.45 -0.16 -0.16 0.99 -0.10 0.00 0.00 175.22 176.24 2yug s THR 65 N -3.61 1.35 0.44 0.64 2.01 -0.44 -0.38 115.64 115.65 2yug s THR 65 Ca 0.21 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2yug s THR 65 Cb 0.05 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 2yug s THR 65 CO 0.02 0.39 0.65 0.00 -0.69 0.00 0.00 174.62 174.99 2yug s ALA 66 N 0.18 3.86 -0.28 7.40 0.00 0.26 -1.58 121.76 131.59 2yug s ALA 66 Ca -0.06 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.75 2yug s ALA 66 Cb -0.12 -2.05 0.16 0.00 0.00 0.00 0.00 23.12 21.10 2yug s ALA 66 CO 0.03 -0.36 0.40 0.08 0.00 0.00 0.00 175.76 175.91 2yug s VAL 67 N -2.51 -0.63 0.02 0.00 1.01 -1.22 -3.99 120.40 113.08 2yug s VAL 67 Ca 0.49 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2yug s VAL 67 Cb -0.10 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 2yug s VAL 67 CO 0.37 -0.26 1.94 -0.54 0.00 0.00 0.00 175.10 176.61 2yug s LYS 68 N 2.54 4.12 0.00 2.72 1.02 -1.26 -1.89 119.74 127.00 2yug s LYS 68 Ca 0.10 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.65 2yug s LYS 68 Cb -0.13 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 2yug s LYS 68 CO -0.28 -0.97 0.00 1.28 -0.92 0.00 0.00 175.35 174.46 2yug n LEU 69 N 7.59 0.00 0.00 3.17 4.77 -1.00 -4.99 117.00 126.54 2yug n LEU 69 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2yug n LEU 69 Cb 0.41 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2yug n LEU 69 CO 0.67 -0.32 0.00 -0.24 -1.33 0.00 0.00 177.39 176.17 2yug n SER 70 N -2.02 0.00 -2.85 -1.43 2.88 -1.23 -4.98 113.62 103.99 2yug n SER 70 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2yug n SER 70 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2yug n SER 70 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yug n ASP 71 N 0.00 -5.95 -3.40 -3.46 -0.08 -1.26 -1.67 116.55 100.73 2yug n ASP 71 Ca 0.00 -0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 52.85 2yug n ASP 71 Cb 0.00 -4.86 0.07 0.00 2.34 0.00 0.00 41.12 38.67 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2yug n SER 72 N -2.36 -6.24 -4.10 1.67 7.64 -1.26 -4.99 113.62 103.99 2yug n SER 72 Ca -0.15 -0.48 -0.33 0.00 1.01 0.00 0.00 58.87 58.93 2yug n SER 72 Cb 0.64 -4.90 -0.15 0.00 -1.01 0.00 0.00 64.21 58.78 2yug n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yug s ARG 73 N -6.16 2.59 0.07 1.43 1.81 -0.67 -4.12 118.95 113.91 2yug s ARG 73 Ca 0.52 -1.11 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2yug s ARG 73 Cb -0.23 -2.76 -0.04 0.00 -0.45 0.00 0.00 34.95 31.47 2yug s ARG 73 CO 0.64 -0.41 0.08 0.96 -0.68 0.00 0.00 175.30 175.90 2yug s ILE 74 N 1.19 4.56 -0.51 1.52 -4.36 -0.78 -2.37 121.20 120.46 2yug s ILE 74 Ca -0.02 -0.74 -0.14 0.00 -0.26 0.00 0.00 60.65 59.49 2yug s ILE 74 Cb -0.17 -3.19 0.12 0.00 1.25 0.00 0.00 42.46 40.47 2yug s ILE 74 CO -0.08 0.14 0.43 0.00 0.24 0.00 0.00 174.94 175.67 2yug s ALA 75 N -1.38 3.55 0.91 2.27 0.00 -0.79 -1.47 121.76 124.85 2yug s ALA 75 Ca 0.29 -2.47 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 2yug s ALA 75 Cb -0.12 -3.09 0.14 0.00 0.00 0.00 0.00 23.12 20.05 2yug s ALA 75 CO 0.22 -1.94 1.14 -0.51 0.00 0.00 0.00 175.76 174.67 2yug s LEU 76 N 1.53 2.80 -0.26 0.00 1.43 -1.26 -3.44 118.68 119.49 2yug s LEU 76 Ca 0.04 2.15 -0.08 0.00 -1.03 0.00 0.00 54.13 55.21 2yug s LEU 76 Cb -0.28 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.53 2yug s LEU 76 CO 0.02 -3.08 0.55 -0.75 0.23 0.00 0.00 176.35 173.32 2yug s LYS 77 N -4.66 0.47 0.68 1.70 2.20 -0.61 -3.16 119.74 116.36 2yug s LYS 77 Ca 0.66 1.22 -0.15 0.00 -0.36 0.00 0.00 55.97 57.35 2yug s LYS 77 Cb -0.22 0.59 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2yug s LYS 77 CO 0.58 -0.27 1.13 -1.54 -0.36 0.00 0.00 175.35 174.89 2yug s SER 78 N 2.77 4.85 0.50 1.43 1.04 0.55 -1.33 113.70 123.51 2yug s SER 78 Ca -0.01 2.08 0.15 0.00 0.48 0.00 0.00 55.95 58.64 2yug s SER 78 Cb -0.12 -2.56 1.20 0.00 0.10 0.00 0.00 66.02 64.63 2yug s SER 78 CO -0.17 -1.81 2.12 1.23 0.98 0.00 0.00 173.24 175.60 2yug h GLY 79 N -0.10 0.12 1.92 7.32 0.00 -1.58 -1.32 103.07 109.43 2yug h GLY 79 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2yug h GLY 79 CO 0.53 0.04 0.05 -0.97 0.00 0.00 0.00 176.54 176.18 2yug h TYR 80 N 0.11 0.08 0.00 5.60 0.05 -1.84 -3.46 116.97 117.50 2yug h TYR 80 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2yug h TYR 80 Cb 0.06 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2yug h TYR 80 CO -0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 2yug n GLY 81 N -1.53 1.18 3.30 3.88 0.00 -0.50 -5.15 105.19 106.37 2yug n GLY 81 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 1.20 -0.23 1.61 1.02 -1.23 -4.92 119.74 117.15 2yug s LYS 82 Ca 0.00 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.30 2yug s LYS 82 Cb 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.54 2yug s LYS 82 CO 0.00 0.05 0.31 0.71 -0.92 0.00 0.00 175.35 175.49 2yug s TYR 83 N -3.28 3.33 -0.04 3.18 2.02 -1.26 -0.33 117.35 120.97 2yug s TYR 83 Ca 0.21 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 57.06 2yug s TYR 83 Cb 0.03 -2.44 -0.06 0.00 -0.40 0.00 0.00 41.96 39.09 2yug s TYR 83 CO 0.04 -0.02 1.70 -0.51 -1.57 0.00 0.00 175.55 175.19 2yug s LEU 84 N 1.36 4.34 0.09 -1.29 1.43 -1.19 -4.29 118.68 119.13 2yug s LEU 84 Ca 0.14 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2yug s LEU 84 Cb -0.15 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2yug s LEU 84 CO 0.07 -0.94 -0.07 -0.83 0.23 0.00 0.00 176.35 174.81 2yug s GLY 85 N 3.49 0.73 -0.04 -3.19 0.00 -0.95 -4.23 107.32 103.13 2yug s GLY 85 Ca 0.75 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 44.27 2yug s GLY 85 CO 0.31 -1.31 -0.08 -0.26 0.00 0.00 0.00 173.10 171.75 2yug s ILE 86 N -3.07 3.56 0.98 0.90 -4.36 -1.24 -0.14 121.20 117.82 2yug s ILE 86 Ca 0.07 -0.65 -0.13 0.00 -0.26 0.00 0.00 60.65 59.68 2yug s ILE 86 Cb 0.01 -2.48 0.18 0.00 1.25 0.00 0.00 42.46 41.42 2yug s ILE 86 CO -0.03 0.51 1.12 0.20 0.24 0.00 0.00 174.94 176.99 2yug s ASN 87 N -1.04 2.82 0.25 4.36 0.01 0.71 -4.85 114.94 117.19 2yug s ASN 87 Ca 0.14 0.98 0.02 0.00 -0.71 0.00 0.00 52.86 53.30 2yug s ASN 87 Cb -0.11 -1.54 0.29 0.00 0.41 0.00 0.00 41.25 40.30 2yug s ASN 87 CO 0.04 -2.99 1.61 0.77 -1.51 0.00 0.00 177.10 175.02 2yug h SER 88 N -1.80 0.40 0.37 -1.22 4.64 -2.00 -3.03 113.55 110.92 2yug h SER 88 Ca -0.52 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 60.45 2yug h SER 88 Cb 1.33 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2yug h SER 88 CO 0.57 0.82 -0.67 0.44 -0.87 0.00 0.00 176.83 177.11 2yug h ASP 89 N 0.30 0.32 0.00 4.97 3.32 -2.03 -3.47 116.42 119.83 2yug h ASP 89 Ca 0.02 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2yug h ASP 89 Cb 0.94 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2yug h ASP 89 CO 0.08 0.89 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 2yug n GLY 90 N 0.42 0.85 3.00 2.75 0.00 -1.14 -4.97 105.19 106.10 2yug n GLY 90 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.60 -0.41 0.99 2.96 -1.26 -1.26 118.68 121.31 2yug s LEU 91 Ca 0.00 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 2yug s LEU 91 Cb 0.00 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.57 2yug s LEU 91 CO 0.00 -0.06 1.53 -0.69 -1.32 0.00 0.00 176.35 175.81 2yug s VAL 92 N 1.49 3.76 -0.01 1.68 1.01 -0.51 -0.21 120.40 127.62 2yug s VAL 92 Ca 0.04 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2yug s VAL 92 Cb -0.13 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2yug s VAL 92 CO -0.10 -0.70 -0.07 0.68 0.00 0.00 0.00 175.10 174.91 2yug s VAL 93 N 5.97 0.56 -0.66 2.92 -7.23 0.80 -4.47 120.40 118.29 2yug s VAL 93 Ca 0.66 -0.30 -0.04 0.00 -1.81 0.00 0.00 61.98 60.48 2yug s VAL 93 Cb -0.16 -0.47 0.17 0.00 0.56 0.00 0.00 36.38 36.48 2yug s VAL 93 CO 0.32 0.16 0.49 -0.83 -0.31 0.00 0.00 175.10 174.93 2yug s GLY 94 N -0.16 2.54 -0.36 2.32 0.00 -1.26 -2.23 107.32 108.17 2yug s GLY 94 Ca 0.03 -3.29 0.12 0.00 0.00 0.00 0.00 44.72 41.57 2yug s GLY 94 CO -0.00 1.13 1.42 -0.96 0.00 0.00 0.00 173.10 174.68 2yug n ARG 95 N 3.52 1.29 -0.05 2.90 1.85 -1.26 -4.77 116.66 120.15 2yug n ARG 95 Ca 0.09 -1.67 -0.06 0.00 -1.00 0.00 0.00 57.85 55.21 2yug n ARG 95 Cb 0.39 0.06 -0.05 0.00 -1.05 0.00 0.00 32.46 31.81 2yug n ARG 95 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2yug n SER 96 N -1.01 3.17 -2.74 2.89 2.88 -1.26 -5.02 113.62 112.53 2yug n SER 96 Ca -0.09 -0.04 -0.21 0.00 -1.33 0.00 0.00 58.87 57.20 2yug n SER 96 Cb 0.86 0.05 0.02 0.00 -0.75 0.00 0.00 64.21 64.39 2yug n SER 96 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yug n ASP 97 N -2.67 -5.91 -3.65 -3.46 9.92 -1.26 -4.96 116.55 104.56 2yug n ASP 97 Ca -0.17 -0.21 -0.09 0.00 -0.53 0.00 0.00 54.79 53.79 2yug n ASP 97 Cb 0.71 -4.77 -0.02 0.00 -0.64 0.00 0.00 41.12 36.39 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yug s ALA 98 N -3.12 -1.42 -1.03 2.24 0.00 -1.26 -4.91 121.76 112.25 2yug s ALA 98 Ca 0.22 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2yug s ALA 98 Cb -0.10 0.85 0.21 0.00 0.00 0.00 0.00 23.12 24.08 2yug s ALA 98 CO 0.27 -0.91 1.10 0.42 0.00 0.00 0.00 175.76 176.65 2yug s ILE 99 N -3.80 5.47 0.43 0.00 1.01 -1.26 -4.70 121.20 118.36 2yug s ILE 99 Ca 0.06 -2.70 0.04 0.00 0.00 0.00 0.00 60.65 58.05 2yug s ILE 99 Cb -0.03 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.77 2yug s ILE 99 CO -0.03 -1.30 0.62 -0.83 0.00 0.00 0.00 174.94 173.40 2yug s GLY 100 N 2.27 1.69 0.38 6.18 0.00 -1.26 -4.96 107.32 111.61 2yug s GLY 100 Ca 0.31 -1.33 0.13 0.00 0.00 0.00 0.00 44.72 43.82 2yug s GLY 100 CO -0.07 -1.16 1.84 -2.55 0.00 0.00 0.00 173.10 171.17 2yug h PRO 101 N 0.51 0.55 -0.01 2.90 0.11 -1.96 0.90 132.00 135.00 2yug h PRO 101 Ca -0.44 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2yug h PRO 101 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2yug h PRO 101 CO 0.53 0.36 -0.73 0.00 -0.21 0.00 0.00 178.00 177.95 2yug h ARG 102 N 0.57 0.08 -0.00 1.05 3.08 -1.94 -3.09 114.38 114.12 2yug h ARG 102 Ca 0.49 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.40 2yug h ARG 102 Cb 0.98 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2yug h ARG 102 CO -0.23 0.78 -0.27 0.93 -1.07 0.00 0.00 179.97 180.11 2yug h GLU 103 N 0.05 0.01 -6.92 0.04 3.07 -1.00 -3.30 114.58 106.52 2yug h GLU 103 Ca -0.02 -0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.31 2yug h GLU 103 Cb 1.29 -0.00 0.08 0.00 -0.84 0.00 0.00 28.75 29.28 2yug h GLU 103 CO 0.10 0.27 0.66 -0.65 -1.40 0.00 0.00 179.01 177.99 2yug s GLN 104 N -4.44 4.14 0.03 2.33 -0.21 -0.99 -4.25 119.66 116.27 2yug s GLN 104 Ca -0.03 2.27 0.07 0.00 0.02 0.00 0.00 55.36 57.69 2yug s GLN 104 Cb 0.15 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 2yug s GLN 104 CO 0.71 -0.39 -0.20 -1.58 -2.12 0.00 0.00 175.29 171.70 2yug s TRP 105 N -1.18 1.79 -0.56 0.91 0.52 -0.54 -3.59 118.94 116.29 2yug s TRP 105 Ca 0.53 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 56.28 2yug s TRP 105 Cb -0.41 -1.09 0.14 0.00 -1.15 0.00 0.00 33.47 30.97 2yug s TRP 105 CO 0.54 0.06 0.35 -2.00 0.02 0.00 0.00 176.95 175.92 2yug s GLU 106 N -1.01 2.30 0.03 4.98 2.12 0.11 -1.87 118.70 125.36 2yug s GLU 106 Ca 0.07 -2.45 -0.30 0.00 0.36 0.00 0.00 54.97 52.65 2yug s GLU 106 Cb -0.09 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 2yug s GLU 106 CO 0.01 -1.14 1.49 -1.25 -0.54 0.00 0.00 175.26 173.84 2yug s PRO 107 N 0.04 4.25 0.29 4.30 0.04 -1.26 -1.58 135.00 141.09 2yug s PRO 107 Ca 0.16 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2yug s PRO 107 Cb -0.22 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 2yug s PRO 107 CO -0.03 -0.63 0.45 0.08 0.04 0.00 0.00 177.00 176.92 2yug s VAL 108 N 2.45 5.18 -0.11 -0.36 1.01 0.42 -4.92 120.40 124.06 2yug s VAL 108 Ca 0.67 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2yug s VAL 108 Cb -0.35 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.23 2yug s VAL 108 CO 0.29 -0.44 0.25 -0.36 0.00 0.00 0.00 175.10 174.84 2yug s PHE 109 N -2.14 -0.36 -0.19 5.22 0.08 -1.26 -2.40 117.98 116.92 2yug s PHE 109 Ca 0.37 0.86 -0.05 0.00 0.12 0.00 0.00 56.93 58.23 2yug s PHE 109 Cb -0.09 -0.01 0.09 0.00 -0.57 0.00 0.00 43.02 42.44 2yug s PHE 109 CO 0.32 -0.29 0.35 -1.14 -0.10 0.00 0.00 175.22 174.36 2yug s GLN 110 N 1.83 0.26 -1.52 0.44 -0.44 -1.06 -4.89 119.66 114.29 2yug s GLN 110 Ca -0.04 0.79 -0.05 0.00 -2.50 0.00 0.00 55.36 53.56 2yug s GLN 110 Cb -0.11 -0.05 0.02 0.00 -1.64 0.00 0.00 33.01 31.22 2yug s GLN 110 CO -0.08 -0.37 0.50 -0.25 0.50 0.00 0.00 175.29 175.58 2yug n ASP 111 N 5.37 -5.60 0.00 6.67 8.00 -1.26 -1.66 116.55 128.07 2yug n ASP 111 Ca -0.07 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2yug n ASP 111 Cb 0.50 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 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 -1.38 2.63 3.26 0.44 0.00 -1.26 -5.03 105.19 103.85 2yug n GLY 112 Ca -0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2yug n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yug n LYS 113 N 0.00 -3.86 -3.49 1.61 4.76 -0.66 -4.98 118.16 111.53 2yug n LYS 113 Ca 0.00 -1.13 -0.16 0.00 -2.87 0.00 0.00 58.31 54.14 2yug n LYS 113 Cb 0.00 -1.92 -0.05 0.00 -1.84 0.00 0.00 35.03 31.22 2yug n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yug s MET 114 N -4.62 1.10 -0.17 1.97 0.23 -1.26 -2.56 119.30 113.99 2yug s MET 114 Ca 0.64 0.06 -0.09 0.00 -1.03 0.00 0.00 55.69 55.27 2yug s MET 114 Cb -0.15 0.52 0.06 0.00 -1.53 0.00 0.00 34.83 33.73 2yug s MET 114 CO 0.57 -0.39 0.41 0.00 -2.03 0.00 0.00 175.02 173.58 2yug s ALA 115 N -1.89 -1.06 -0.37 3.16 0.00 -1.01 -2.14 121.76 118.45 2yug s ALA 115 Ca -0.07 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 2yug s ALA 115 Cb -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2yug s ALA 115 CO 0.03 -0.35 1.24 -1.17 0.00 0.00 0.00 175.76 175.51 2yug s LEU 116 N 1.61 3.76 -0.16 0.00 2.96 -1.26 -0.44 118.68 125.15 2yug s LEU 116 Ca -0.08 0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 2yug s LEU 116 Cb -0.09 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2yug s LEU 116 CO -0.13 -1.16 0.20 -0.22 -1.32 0.00 0.00 176.35 173.72 2yug s LEU 117 N 4.48 4.26 0.83 -0.68 2.96 -0.62 -3.52 118.68 126.39 2yug s LEU 117 Ca 0.53 0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 54.71 2yug s LEU 117 Cb -0.13 -2.20 0.09 0.00 0.50 0.00 0.00 46.19 44.45 2yug s LEU 117 CO 0.26 0.20 1.13 0.00 -1.32 0.00 0.00 176.35 176.62 2yug s ALA 118 N 0.09 2.28 -0.51 5.97 0.00 -0.49 0.08 121.76 129.18 2yug s ALA 118 Ca 0.13 -0.46 0.20 0.00 0.00 0.00 0.00 51.96 51.83 2yug s ALA 118 Cb -0.12 -3.03 0.92 0.00 0.00 0.00 0.00 23.12 20.89 2yug s ALA 118 CO 0.02 -1.83 1.62 0.45 0.00 0.00 0.00 175.76 176.01 2yug n SER 119 N -3.46 0.51 -1.61 0.00 2.88 -1.24 -2.00 113.62 108.71 2yug n SER 119 Ca 0.07 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.26 2yug n SER 119 Cb 0.59 -0.76 0.25 0.00 -0.75 0.00 0.00 64.21 63.55 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 -2.10 4.23 -2.95 -3.46 0.23 -1.26 -4.88 115.26 105.06 2yug n ASN 120 Ca 0.01 -2.80 -0.21 0.00 -0.53 0.00 0.00 54.58 51.05 2yug n ASN 120 Cb 0.16 -0.66 0.01 0.00 -2.08 0.00 0.00 39.78 37.20 2yug n ASN 120 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2yug n SER 121 N 0.17 -4.96 -3.98 0.53 7.64 -0.84 -4.96 113.62 107.21 2yug n SER 121 Ca 0.26 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 2yug n SER 121 Cb 1.05 -4.07 -0.16 0.00 -1.01 0.00 0.00 64.21 60.01 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yug n PHE 123 N 3.78 -3.88 -4.38 0.00 3.72 -0.35 -1.40 117.46 114.94 2yug n PHE 123 Ca -0.23 -0.93 -0.19 0.00 -0.05 0.00 0.00 57.45 56.04 2yug n PHE 123 Cb 0.52 -1.21 -0.10 0.00 -0.94 0.00 0.00 39.48 37.75 2yug n PHE 123 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2yug s ILE 124 N -2.63 1.62 -0.28 4.37 -4.36 -1.23 -0.25 121.20 118.44 2yug s ILE 124 Ca 0.70 -2.16 -0.27 0.00 -0.26 0.00 0.00 60.65 58.67 2yug s ILE 124 Cb -0.09 -2.24 0.18 0.00 1.25 0.00 0.00 42.46 41.55 2yug s ILE 124 CO 0.56 -0.45 1.33 0.00 0.24 0.00 0.00 174.94 176.62 2yug s ARG 125 N -3.70 0.16 0.28 0.37 1.70 -1.04 -4.70 118.95 112.02 2yug s ARG 125 Ca 0.26 0.13 -0.17 0.00 -0.47 0.00 0.00 55.73 55.48 2yug s ARG 125 Cb 0.02 0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.39 2yug s ARG 125 CO 0.09 -0.03 0.73 0.00 -1.08 0.00 0.00 175.30 175.00 2yug s ASN 127 N -2.02 5.15 0.41 0.00 0.01 -1.16 -4.98 114.94 112.34 2yug s ASN 127 Ca 0.49 -0.17 0.11 0.00 -0.71 0.00 0.00 52.86 52.59 2yug s ASN 127 Cb -0.13 -0.63 0.85 0.00 0.41 0.00 0.00 41.25 41.75 2yug s ASN 127 CO 0.19 -1.24 1.94 -0.08 -1.51 0.00 0.00 177.10 176.40 2yug h GLU 128 N 0.03 0.15 0.09 -0.60 4.57 -1.98 -2.83 114.58 114.01 2yug h GLU 128 Ca -0.40 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 57.44 2yug h GLU 128 Cb 1.29 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2yug h GLU 128 CO 0.49 0.31 -1.55 0.00 -1.18 0.00 0.00 179.01 177.07 2yug h ALA 129 N 1.70 0.37 0.00 2.92 0.00 -2.03 -3.49 119.26 118.74 2yug h ALA 129 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2yug h ALA 129 Cb 0.37 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yug h ALA 129 CO 0.02 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.91 2yug n GLY 130 N 1.65 1.27 3.55 0.00 0.00 -1.07 -4.80 105.19 105.79 2yug n GLY 130 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 2yug n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yug n ASP 131 N 0.00 2.80 -4.63 1.61 8.00 -1.26 -3.76 116.55 119.31 2yug n ASP 131 Ca 0.00 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 2yug n ASP 131 Cb 0.00 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 39.58 2yug n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yug s ILE 132 N 8.41 4.93 0.38 0.53 1.01 -1.25 -3.00 121.20 132.22 2yug s ILE 132 Ca 1.04 1.22 0.04 0.00 0.00 0.00 0.00 60.65 62.95 2yug s ILE 132 Cb -0.49 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2yug s ILE 132 CO 0.39 -0.02 0.10 -1.83 0.00 0.00 0.00 174.94 173.57 2yug s GLU 133 N 2.62 1.84 -0.33 2.79 -1.05 -1.17 -1.42 118.70 121.98 2yug s GLU 133 Ca 0.29 -2.09 -0.12 0.00 -0.15 0.00 0.00 54.97 52.89 2yug s GLU 133 Cb -0.15 -0.75 -0.02 0.00 -0.44 0.00 0.00 34.13 32.77 2yug s GLU 133 CO 0.09 -0.37 0.21 0.00 0.95 0.00 0.00 175.26 176.14 2yug s ALA 134 N -3.23 3.44 0.69 -0.84 0.00 -0.39 -2.50 121.76 118.93 2yug s ALA 134 Ca 0.27 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 2yug s ALA 134 Cb 0.05 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.64 2yug s ALA 134 CO 0.14 -0.92 1.03 0.21 0.00 0.00 0.00 175.76 176.22 2yug s LYS 135 N 1.69 2.49 1.43 0.00 2.36 0.65 -4.83 119.74 123.53 2yug s LYS 135 Ca 0.06 0.04 -0.23 0.00 -2.55 0.00 0.00 55.97 53.29 2yug s LYS 135 Cb -0.17 -2.12 0.37 0.00 -1.05 0.00 0.00 37.83 34.85 2yug s LYS 135 CO 0.09 -1.12 0.87 0.09 1.55 0.00 0.00 175.35 176.83 2yug n ASN 136 N -2.93 -3.83 0.28 1.43 4.13 -1.26 -1.22 115.26 111.87 2yug n ASN 136 Ca 0.07 -0.76 0.16 0.00 1.68 0.00 0.00 54.58 55.73 2yug n ASN 136 Cb 0.59 -1.03 0.91 0.00 -1.54 0.00 0.00 39.78 38.71 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 -3.50 0.00 -5.84 3.52 1.57 -1.95 -3.27 116.57 107.10 2yug h LYS 137 Ca -0.43 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.76 2yug h LYS 137 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 2yug h LYS 137 CO 0.28 0.00 1.52 0.25 -0.57 0.00 0.00 179.45 180.92 2yug n THR 138 N -3.77 0.16 -2.93 -0.16 -2.24 -1.26 -4.85 114.28 99.24 2yug n THR 138 Ca -0.02 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 2yug n THR 138 Cb 0.15 -2.11 -0.05 0.00 -2.10 0.00 0.00 70.33 66.21 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 8.84 3.37 0.67 6.98 0.00 -1.26 -4.97 121.76 135.38 2yug s ALA 139 Ca 1.06 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.31 2yug s ALA 139 Cb -0.57 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.23 2yug s ALA 139 CO 0.40 -1.68 0.93 0.20 0.00 0.00 0.00 175.76 175.60 2yug s GLY 140 N 1.98 1.75 0.27 0.00 0.00 -1.26 -4.97 107.32 105.08 2yug s GLY 140 Ca 0.32 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 2yug s GLY 140 CO 0.20 -1.37 1.81 0.83 0.00 0.00 0.00 173.10 174.57 2yug h GLU 141 N -0.29 0.91 -0.02 2.90 5.08 -1.97 -2.52 114.58 118.67 2yug h GLU 141 Ca -0.34 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 57.69 2yug h GLU 141 Cb 1.27 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2yug h GLU 141 CO 0.40 0.80 -0.69 1.05 -1.00 0.00 0.00 179.01 179.56 2yug h GLU 142 N 0.88 0.12 -0.10 2.33 4.11 -1.95 -3.07 114.58 116.91 2yug h GLU 142 Ca 0.20 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 2yug h GLU 142 Cb 0.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2yug h GLU 142 CO -0.01 0.76 0.06 0.93 0.07 0.00 0.00 179.01 180.83 2yug h GLU 143 N 0.08 0.14 -6.24 1.06 3.07 -1.73 -3.42 114.58 107.55 2yug h GLU 143 Ca -0.01 -0.01 -0.55 0.00 -0.50 0.00 0.00 59.36 58.28 2yug h GLU 143 Cb 1.23 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2yug h GLU 143 CO 0.10 0.10 1.32 -1.33 -1.40 0.00 0.00 179.01 177.80 2yug n MET 144 N -4.51 2.55 -3.83 2.33 2.81 -1.16 -4.75 117.12 110.57 2yug n MET 144 Ca -0.01 0.88 -0.23 0.00 -1.81 0.00 0.00 57.70 56.53 2yug n MET 144 Cb 0.09 -3.07 -0.05 0.00 -0.71 0.00 0.00 33.22 29.48 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 5.69 2.52 -0.38 2.02 -4.36 -0.91 -4.92 121.20 120.86 2yug s ILE 145 Ca 0.93 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 2yug s ILE 145 Cb -0.42 -3.00 0.12 0.00 1.25 0.00 0.00 42.46 40.41 2yug s ILE 145 CO 0.40 -0.01 0.17 -0.54 0.24 0.00 0.00 174.94 175.21 2yug s LYS 146 N -4.02 1.05 -0.21 0.37 1.02 -1.17 -4.20 119.74 112.58 2yug s LYS 146 Ca 0.45 -1.62 -0.29 0.00 0.02 0.00 0.00 55.97 54.53 2yug s LYS 146 Cb -0.00 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2yug s LYS 146 CO 0.25 -1.08 1.28 0.42 -0.92 0.00 0.00 175.35 175.30 2yug s ILE 147 N 0.90 4.23 0.17 2.17 1.01 -1.26 -3.31 121.20 125.10 2yug s ILE 147 Ca 0.14 1.46 0.06 0.00 0.00 0.00 0.00 60.65 62.31 2yug s ILE 147 Cb -0.21 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2yug s ILE 147 CO -0.10 -0.24 0.06 -0.13 0.00 0.00 0.00 174.94 174.53 2yug s ARG 148 N 3.73 2.62 -0.03 2.79 0.52 0.38 -2.33 118.95 126.63 2yug s ARG 148 Ca 0.55 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2yug s ARG 148 Cb -0.20 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 32.80 2yug s ARG 148 CO 0.17 0.47 -0.08 0.45 0.02 0.00 0.00 175.30 176.33 2yug s SER 149 N -3.01 1.19 -0.59 0.23 0.15 -0.77 -0.45 113.70 110.45 2yug s SER 149 Ca 0.29 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.76 2yug s SER 149 Cb -0.10 -0.38 0.51 0.00 -1.71 0.00 0.00 66.02 64.34 2yug s SER 149 CO 0.21 0.04 1.99 0.00 1.20 0.00 0.00 173.24 176.68 2yug s ALA 151 N -3.58 2.76 -0.49 0.00 0.00 -1.26 -4.95 121.76 114.24 2yug s ALA 151 Ca 0.61 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 2yug s ALA 151 Cb 0.49 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2yug s ALA 151 CO 0.03 -1.70 2.02 -1.21 0.00 0.00 0.00 175.76 174.89 2yug s GLU 152 N -5.53 2.68 1.05 0.00 2.02 -1.26 -4.96 118.70 112.70 2yug s GLU 152 Ca 0.64 1.10 -0.18 0.00 0.02 0.00 0.00 54.97 56.56 2yug s GLU 152 Cb -0.09 -4.40 0.27 0.00 0.10 0.00 0.00 34.13 30.01 2yug s GLU 152 CO 0.48 -2.64 0.65 0.54 0.02 0.00 0.00 175.26 174.31 2yug n ARG 153 N 8.94 -3.95 -3.21 1.61 1.74 -1.26 -4.92 116.66 115.60 2yug n ARG 153 Ca 0.26 -1.08 -0.46 0.00 -0.77 0.00 0.00 57.85 55.80 2yug n ARG 153 Cb 0.51 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2yug n ARG 153 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2yug s GLU 154 N -4.55 3.40 0.00 5.56 -6.30 -1.26 -5.29 118.70 110.26 2yug s GLU 154 Ca 0.49 -2.00 0.06 0.00 -2.50 0.00 0.00 54.97 51.02 2yug s GLU 154 Cb -0.08 -4.46 0.05 0.00 0.00 0.00 0.00 34.13 29.63 2yug s GLU 154 CO 0.41 -1.43 0.69 -2.37 0.02 0.00 0.00 175.26 172.58