#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 -0.19 0.02 1.61 0.15 -1.26 -5.08 113.70 108.95 2yug s SER 2 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2yug s SER 2 Cb 0.00 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2yug s SER 2 CO 0.00 -0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.05 2yug n SER 3 N 0.85 -0.18 0.00 5.45 2.88 -1.26 -5.17 113.62 116.20 2yug n SER 3 Ca -0.06 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2yug n SER 3 Cb 0.58 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 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 -1.40 5.52 2.58 0.46 0.00 -1.26 -4.90 105.19 106.18 2yug n GLY 4 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2yug n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yug n SER 5 N 0.00 -5.97 -4.12 1.61 7.64 -1.26 -4.96 113.62 106.56 2yug n SER 5 Ca 0.00 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.42 2yug n SER 5 Cb 0.00 -4.92 -0.11 0.00 -1.01 0.00 0.00 64.21 58.17 2yug n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yug s SER 6 N -2.26 5.27 0.00 6.43 0.01 -1.26 -5.09 113.70 116.80 2yug s SER 6 Ca 0.09 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 55.28 2yug s SER 6 Cb -0.04 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2yug s SER 6 CO 0.11 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2yug n GLY 7 N 4.55 -0.33 3.71 3.44 0.00 -1.26 -4.98 105.19 110.32 2yug n GLY 7 Ca -0.02 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 4.37 -0.45 0.99 0.20 -1.26 -4.99 118.68 117.54 2yug s LEU 8 Ca 0.00 1.89 -0.27 0.00 0.69 0.00 0.00 54.13 56.44 2yug s LEU 8 Cb 0.00 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.21 2yug s LEU 8 CO 0.00 -0.41 1.03 -1.81 -0.29 0.00 0.00 176.35 174.87 2yug s ASP 9 N 1.06 6.61 -0.06 3.68 1.11 -1.26 -4.98 116.67 122.83 2yug s ASP 9 Ca 0.56 0.39 0.05 0.00 0.18 0.00 0.00 52.55 53.74 2yug s ASP 9 Cb -0.27 -2.50 -0.01 0.00 1.07 0.00 0.00 42.92 41.22 2yug s ASP 9 CO 0.28 -1.11 -0.22 -0.51 1.18 0.00 0.00 175.17 174.80 2yug s ILE 10 N 4.03 1.81 -0.43 0.77 2.07 -1.26 -2.11 121.20 126.08 2yug s ILE 10 Ca 0.43 -0.92 0.02 0.00 -1.41 0.00 0.00 60.65 58.76 2yug s ILE 10 Cb -0.09 -1.54 0.14 0.00 0.13 0.00 0.00 42.46 41.10 2yug s ILE 10 CO 0.27 0.51 0.25 -0.69 -1.91 0.00 0.00 174.94 173.37 2yug s VAL 11 N -0.01 1.17 0.00 4.00 1.01 -0.50 -4.98 120.40 121.09 2yug s VAL 11 Ca -0.06 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.47 2yug s VAL 11 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2yug s VAL 11 CO 0.04 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2yug n GLY 12 N 3.55 1.91 1.45 4.51 0.00 -1.26 -2.86 105.19 112.50 2yug n GLY 12 Ca 0.11 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 0.45 -3.73 -0.61 -6.64 -1.26 -5.03 119.36 102.54 2yug n ILE 13 Ca 0.00 -1.51 -0.26 0.00 -1.77 0.00 0.00 62.75 59.21 2yug n ILE 13 Cb 0.00 0.80 -0.17 0.00 -1.44 0.00 0.00 39.64 38.83 2yug n ILE 13 CO 0.00 0.00 0.00 0.26 -1.77 0.00 0.00 176.55 175.04 2yug s TRP 14 N -0.78 0.84 -0.01 4.28 0.52 -1.13 -4.29 118.94 118.36 2yug s TRP 14 Ca 0.34 -0.63 0.03 0.00 0.02 0.00 0.00 56.10 55.87 2yug s TRP 14 Cb 0.38 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 2yug s TRP 14 CO -0.14 -0.53 -0.09 1.67 0.02 0.00 0.00 176.95 177.88 2yug s TRP 15 N 1.92 2.84 0.67 -1.98 1.48 0.11 -1.41 118.94 122.58 2yug s TRP 15 Ca 0.01 -0.06 -0.12 0.00 -1.06 0.00 0.00 56.10 54.86 2yug s TRP 15 Cb -0.16 -1.62 0.00 0.00 -1.16 0.00 0.00 33.47 30.54 2yug s TRP 15 CO -0.07 0.33 1.07 0.99 -4.06 0.00 0.00 176.95 175.20 2yug s THR 16 N -0.92 3.82 0.44 0.66 2.01 -0.90 0.01 115.64 120.76 2yug s THR 16 Ca 0.15 0.68 0.06 0.00 0.31 0.00 0.00 61.69 62.90 2yug s THR 16 Cb -0.11 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2yug s THR 16 CO 0.05 -0.68 0.61 0.68 -0.69 0.00 0.00 174.62 174.59 2yug s VAL 17 N -2.80 3.05 0.00 3.82 -7.23 -1.21 -4.84 120.40 111.20 2yug s VAL 17 Ca 0.61 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2yug s VAL 17 Cb -0.15 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2yug s VAL 17 CO 0.49 -0.02 0.00 -0.24 -0.31 0.00 0.00 175.10 175.01 2yug n SER 18 N -1.94 1.39 -4.53 4.85 2.88 -1.26 -5.04 113.62 109.97 2yug n SER 18 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.31 2yug n SER 18 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 2yug n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2yug s ASN 19 N -4.35 3.68 0.33 -3.46 4.22 -1.26 -5.00 114.94 109.11 2yug s ASN 19 Ca 0.00 -1.67 0.07 0.00 -2.14 0.00 0.00 52.86 49.12 2yug s ASN 19 Cb 0.00 0.54 0.59 0.00 1.28 0.00 0.00 41.25 43.66 2yug s ASN 19 CO 0.00 -0.89 1.80 0.15 -2.04 0.00 0.00 177.10 176.12 2yug h PHE 20 N 1.49 0.30 0.00 1.54 3.04 -1.98 -2.67 116.94 118.66 2yug h PHE 20 Ca -0.41 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.48 2yug h PHE 20 Cb 1.30 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 2yug h PHE 20 CO 1.55 0.51 -0.03 0.78 -2.02 0.00 0.00 178.31 179.11 2yug h GLY 21 N 0.99 0.00 1.97 2.40 0.00 -2.04 -1.45 103.07 104.95 2yug h GLY 21 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 2yug h GLY 21 CO 0.04 0.00 -0.57 0.83 0.00 0.00 0.00 176.54 176.84 2yug h GLU 22 N 0.00 0.03 -5.76 4.80 4.39 -1.88 -3.40 114.58 112.76 2yug h GLU 22 Ca -0.00 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.35 2yug h GLU 22 Cb 0.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2yug h GLU 22 CO 0.00 0.59 0.83 0.42 -1.16 0.00 0.00 179.01 179.69 2yug s ILE 23 N -3.74 3.45 -0.23 3.13 1.01 -0.55 -4.88 121.20 119.40 2yug s ILE 23 Ca -0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2yug s ILE 23 Cb 0.13 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.63 2yug s ILE 23 CO 0.76 -0.97 0.60 -0.94 0.00 0.00 0.00 174.94 174.38 2yug s SER 24 N 7.95 -0.65 0.45 3.58 1.04 -1.26 -4.79 113.70 120.02 2yug s SER 24 Ca 0.69 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2yug s SER 24 Cb -0.07 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.26 2yug s SER 24 CO 0.02 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2yug n GLY 25 N 3.04 0.47 3.71 7.32 0.00 -1.12 -4.81 105.19 113.80 2yug n GLY 25 Ca -0.15 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 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 5.19 0.24 2.61 2.01 -1.26 0.90 115.64 125.34 2yug s THR 26 Ca 0.00 0.89 0.01 0.00 0.31 0.00 0.00 61.69 62.90 2yug s THR 26 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2yug s THR 26 CO 0.00 0.31 0.08 0.27 -0.69 0.00 0.00 174.62 174.59 2yug s ILE 27 N 0.77 0.55 -0.08 1.82 -4.36 0.18 -2.89 121.20 117.19 2yug s ILE 27 Ca 0.24 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.61 2yug s ILE 27 Cb -0.15 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.04 2yug s ILE 27 CO 0.09 -0.07 0.06 0.00 0.24 0.00 0.00 174.94 175.27 2yug s ALA 28 N -3.76 0.35 0.04 2.27 0.00 0.09 -1.44 121.76 119.30 2yug s ALA 28 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 2yug s ALA 28 Cb 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 2yug s ALA 28 CO 0.12 -0.69 0.52 0.42 0.00 0.00 0.00 175.76 176.13 2yug s ILE 29 N 2.13 4.86 -0.15 0.00 1.09 -1.26 0.58 121.20 128.45 2yug s ILE 29 Ca 0.04 1.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.69 2yug s ILE 29 Cb -0.13 -3.84 0.02 0.00 -1.06 0.00 0.00 42.46 37.45 2yug s ILE 29 CO -0.05 0.54 -0.16 -0.70 -0.10 0.00 0.00 174.94 174.47 2yug s GLU 30 N -0.94 2.49 -0.23 2.79 2.12 0.18 -3.85 118.70 121.25 2yug s GLU 30 Ca 0.27 -0.63 -0.18 0.00 0.36 0.00 0.00 54.97 54.79 2yug s GLU 30 Cb -0.18 -2.22 -0.15 0.00 0.26 0.00 0.00 34.13 31.84 2yug s GLU 30 CO 0.17 -0.22 -0.05 -1.33 -0.54 0.00 0.00 175.26 173.29 2yug n MET 31 N 4.69 0.57 -3.01 4.30 2.81 -1.25 -0.67 117.12 124.55 2yug n MET 31 Ca -0.18 0.44 -0.17 0.00 -1.81 0.00 0.00 57.70 55.97 2yug n MET 31 Cb 0.50 -1.63 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 2yug n MET 31 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2yug s ASP 32 N -6.99 5.58 -1.24 7.83 2.15 -1.25 -4.87 116.67 117.87 2yug s ASP 32 Ca -0.32 -0.49 -0.20 0.00 0.43 0.00 0.00 52.55 51.98 2yug s ASP 32 Cb 0.09 -0.51 0.02 0.00 -0.30 0.00 0.00 42.92 42.21 2yug s ASP 32 CO 0.52 -0.85 1.78 -0.54 -0.17 0.00 0.00 175.17 175.92 2yug s LYS 33 N -4.40 3.48 0.00 4.34 1.02 -1.26 -3.32 119.74 119.60 2yug s LYS 33 Ca 0.56 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2yug s LYS 33 Cb -0.09 -5.43 0.00 0.00 -0.52 0.00 0.00 37.83 31.79 2yug s LYS 33 CO 0.34 -2.81 0.00 0.41 -0.92 0.00 0.00 175.35 172.37 2yug n GLY 34 N 5.65 0.90 3.89 -3.33 0.00 -1.26 -4.99 105.19 106.05 2yug n GLY 34 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.28 3.34 0.24 4.61 0.00 -1.21 -3.19 121.76 124.27 2yug s ALA 35 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2yug s ALA 35 Cb 0.00 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2yug s ALA 35 CO 0.00 -0.21 0.09 0.71 0.00 0.00 0.00 175.76 176.35 2yug s TYR 36 N -2.59 1.45 -0.33 0.00 1.51 -1.23 -3.87 117.35 112.29 2yug s TYR 36 Ca 0.50 -1.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.10 2yug s TYR 36 Cb -0.10 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 2yug s TYR 36 CO 0.39 -0.35 1.21 0.42 -1.11 0.00 0.00 175.55 176.11 2yug s ILE 37 N -3.78 4.26 -0.02 2.71 1.01 -1.25 -0.65 121.20 123.48 2yug s ILE 37 Ca 0.36 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.44 2yug s ILE 37 Cb 0.07 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2yug s ILE 37 CO 0.12 -0.55 -0.03 -2.28 0.00 0.00 0.00 174.94 172.20 2yug s HIS 38 N 4.19 3.02 0.20 3.97 2.46 -0.31 -4.54 115.29 124.27 2yug s HIS 38 Ca 0.52 0.05 0.07 0.00 0.47 0.00 0.00 55.06 56.17 2yug s HIS 38 Cb -0.14 -1.67 -0.04 0.00 -0.13 0.00 0.00 32.58 30.60 2yug s HIS 38 CO 0.22 0.42 0.11 0.00 -2.47 0.00 0.00 174.74 173.02 2yug s ALA 39 N -1.00 3.45 0.04 1.58 0.00 -1.26 -1.04 121.76 123.53 2yug s ALA 39 Ca 0.17 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 50.84 2yug s ALA 39 Cb -0.11 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2yug s ALA 39 CO 0.07 0.40 -0.15 -0.51 0.00 0.00 0.00 175.76 175.58 2yug s LEU 40 N -3.34 2.78 0.44 0.00 1.43 0.62 -4.85 118.68 115.75 2yug s LEU 40 Ca 0.31 -0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 2yug s LEU 40 Cb -0.09 -1.62 0.98 0.00 0.03 0.00 0.00 46.19 45.49 2yug s LEU 40 CO 0.22 0.25 2.06 -0.78 0.23 0.00 0.00 176.35 178.34 2yug h ASP 41 N 4.44 0.36 0.12 2.29 1.82 -1.99 -0.88 116.42 122.58 2yug h ASP 41 Ca -0.48 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.13 2yug h ASP 41 Cb 1.16 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.08 2yug h ASP 41 CO 0.49 0.25 -0.13 -1.13 -1.61 0.00 0.00 179.24 177.12 2yug h ASN 42 N 0.42 0.03 0.00 2.28 -0.73 -1.98 -3.46 115.58 112.13 2yug h ASN 42 Ca 0.15 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.32 2yug h ASN 42 Cb 0.09 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2yug h ASN 42 CO -0.04 0.16 0.00 0.61 -0.37 0.00 0.00 177.43 177.80 2yug n GLY 43 N -1.13 1.32 3.79 1.57 0.00 -0.34 -5.09 105.19 105.32 2yug n GLY 43 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 2.37 -0.10 0.99 1.43 -1.26 -3.47 118.68 118.65 2yug s LEU 44 Ca 0.00 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2yug s LEU 44 Cb 0.00 -3.70 0.02 0.00 0.03 0.00 0.00 46.19 42.54 2yug s LEU 44 CO 0.00 -2.21 -0.10 -0.36 0.23 0.00 0.00 176.35 173.91 2yug s PHE 45 N -3.19 1.54 0.37 0.29 0.40 -1.26 -0.27 117.98 115.86 2yug s PHE 45 Ca 0.62 -0.72 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 2yug s PHE 45 Cb -0.15 -1.21 -0.06 0.00 0.51 0.00 0.00 43.02 42.11 2yug s PHE 45 CO 0.54 -0.45 -0.01 -0.08 0.70 0.00 0.00 175.22 175.92 2yug s THR 46 N 1.31 2.28 -0.40 0.64 -1.32 -0.20 -3.09 115.64 114.86 2yug s THR 46 Ca -0.02 -2.04 -0.26 0.00 -1.21 0.00 0.00 61.69 58.16 2yug s THR 46 Cb -0.14 -2.82 0.02 0.00 -1.51 0.00 0.00 72.50 68.06 2yug s THR 46 CO -0.04 -0.13 0.92 -0.22 -2.21 0.00 0.00 174.62 172.95 2yug s LEU 47 N -3.69 3.99 0.46 9.08 2.96 -1.26 -1.16 118.68 129.06 2yug s LEU 47 Ca 0.35 0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 54.41 2yug s LEU 47 Cb 0.04 -3.23 -0.07 0.00 0.50 0.00 0.00 46.19 43.42 2yug s LEU 47 CO 0.18 -0.93 1.36 -0.83 -1.32 0.00 0.00 176.35 174.82 2yug s GLY 48 N 2.03 2.90 0.62 7.98 0.00 0.17 -4.87 107.32 116.16 2yug s GLY 48 Ca 0.38 1.34 -0.19 0.00 0.00 0.00 0.00 44.72 46.25 2yug s GLY 48 CO 0.22 1.92 1.31 0.00 0.00 0.00 0.00 173.10 176.55 2yug n ALA 49 N -0.35 1.27 -1.85 3.20 0.00 -1.26 -3.48 120.51 118.04 2yug n ALA 49 Ca 0.06 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2yug n ALA 49 Cb 0.43 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2yug n ALA 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yug s PRO 50 N -3.23 4.48 1.01 0.00 0.04 -1.26 -4.61 135.00 131.43 2yug s PRO 50 Ca 0.80 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 2yug s PRO 50 Cb -0.39 -3.16 0.20 0.00 0.04 0.00 0.00 34.50 31.19 2yug s PRO 50 CO 0.43 -0.05 1.10 -1.01 0.04 0.00 0.00 177.00 177.51 2yug s HIS 51 N -0.75 1.50 -0.17 0.56 3.76 -1.19 -4.95 115.29 114.05 2yug s HIS 51 Ca 0.49 1.58 -0.14 0.00 -0.15 0.00 0.00 55.06 56.84 2yug s HIS 51 Cb -0.36 -3.25 -0.09 0.00 1.11 0.00 0.00 32.58 29.99 2yug s HIS 51 CO 0.44 -3.23 -0.07 0.54 -0.85 0.00 0.00 174.74 171.57 2yug n ARG 52 N -4.51 0.50 -1.51 1.40 1.74 -1.26 -4.96 116.66 108.06 2yug n ARG 52 Ca 0.09 0.51 -0.30 0.00 -0.77 0.00 0.00 57.85 57.38 2yug n ARG 52 Cb 0.53 -1.69 0.09 0.00 -1.02 0.00 0.00 32.46 30.37 2yug n ARG 52 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yug s GLU 53 N -2.34 2.16 0.05 5.56 2.02 -1.26 -4.99 118.70 119.91 2yug s GLU 53 Ca -0.22 0.73 0.07 0.00 0.02 0.00 0.00 54.97 55.57 2yug s GLU 53 Cb 0.04 -1.92 -0.23 0.00 0.10 0.00 0.00 34.13 32.12 2yug s GLU 53 CO 0.37 -1.59 1.04 -0.24 0.02 0.00 0.00 175.26 174.86 2yug h VAL 54 N -1.07 1.38 -3.56 2.63 3.04 -2.05 -3.40 116.25 113.22 2yug h VAL 54 Ca -0.47 -3.11 -0.73 0.00 -1.01 0.00 0.00 66.70 61.38 2yug h VAL 54 Cb 1.26 2.72 -0.32 0.00 -2.01 0.00 0.00 31.29 32.94 2yug h VAL 54 CO 0.58 0.81 -0.09 -1.81 -1.01 0.00 0.00 177.57 176.06 2yug s ASP 55 N -6.60 6.04 -0.20 3.17 1.01 -1.26 -5.00 116.67 113.83 2yug s ASP 55 Ca -0.02 -3.14 -0.11 0.00 0.71 0.00 0.00 52.55 49.99 2yug s ASP 55 Cb 0.09 -2.00 0.06 0.00 1.01 0.00 0.00 42.92 42.09 2yug s ASP 55 CO 0.83 -0.36 0.48 -0.70 0.21 0.00 0.00 175.17 175.63 2yug s GLU 56 N -0.50 0.46 0.68 8.23 2.12 -1.26 -5.04 118.70 123.40 2yug s GLU 56 Ca 0.22 0.90 -0.10 0.00 0.36 0.00 0.00 54.97 56.35 2yug s GLU 56 Cb -0.13 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.30 2yug s GLU 56 CO -0.08 -0.16 1.05 0.20 -0.54 0.00 0.00 175.26 175.73 2yug s GLY 57 N 1.49 1.62 0.56 -1.50 0.00 -1.26 -5.04 107.32 103.19 2yug s GLY 57 Ca -0.09 -0.47 -0.19 0.00 0.00 0.00 0.00 44.72 43.97 2yug s GLY 57 CO -0.14 -0.11 1.13 2.56 0.00 0.00 0.00 173.10 176.53 2yug s PRO 58 N -5.27 3.29 0.95 2.90 0.04 -1.26 -5.02 135.00 130.63 2yug s PRO 58 Ca 0.57 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2yug s PRO 58 Cb -0.11 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.59 2yug s PRO 58 CO 0.50 -0.90 1.10 0.45 0.04 0.00 0.00 177.00 178.19 2yug s SER 59 N -1.88 2.78 0.18 6.66 0.15 -1.26 -4.66 113.70 115.67 2yug s SER 59 Ca 0.72 1.87 -0.17 0.00 0.70 0.00 0.00 55.95 59.07 2yug s SER 59 Cb -0.23 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 61.77 2yug s SER 59 CO 0.29 -3.13 1.65 -0.65 1.20 0.00 0.00 173.24 172.59 2yug h PRO 60 N -1.89 -0.04 0.00 5.44 0.11 -1.95 0.03 132.00 133.70 2yug h PRO 60 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2yug h PRO 60 Cb 1.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2yug h PRO 60 CO 0.47 -0.03 -0.18 -1.00 -0.21 0.00 0.00 178.00 177.05 2yug h PRO 61 N -0.04 0.00 0.00 1.05 0.13 -1.92 -2.48 132.00 128.74 2yug h PRO 61 Ca 0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 2yug h PRO 61 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2yug h PRO 61 CO -0.49 0.18 -0.73 0.93 -0.23 0.00 0.00 178.00 177.65 2yug h GLU 62 N 0.00 0.00 -6.33 0.86 5.08 -1.35 -2.72 114.58 110.12 2yug h GLU 62 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2yug h GLU 62 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2yug h GLU 62 CO 0.02 0.73 1.11 -0.65 -1.00 0.00 0.00 179.01 179.23 2yug s GLN 63 N -2.93 3.71 0.16 2.33 -0.21 -0.17 -4.80 119.66 117.76 2yug s GLN 63 Ca 0.02 1.45 -0.01 0.00 0.02 0.00 0.00 55.36 56.84 2yug s GLN 63 Cb 0.09 -4.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 2yug s GLN 63 CO 0.78 -1.39 0.34 -0.06 -2.12 0.00 0.00 175.29 172.84 2yug s PHE 64 N 5.34 3.49 -0.20 0.91 0.40 -0.52 -2.89 117.98 124.51 2yug s PHE 64 Ca 0.69 0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 57.34 2yug s PHE 64 Cb -0.21 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2yug s PHE 64 CO 0.29 0.45 -0.12 0.99 0.70 0.00 0.00 175.22 177.53 2yug s THR 65 N -1.74 2.67 0.13 0.64 2.01 -0.39 0.47 115.64 119.44 2yug s THR 65 Ca 0.38 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 2yug s THR 65 Cb -0.12 -2.20 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 2yug s THR 65 CO 0.28 0.45 0.50 0.00 -0.69 0.00 0.00 174.62 175.16 2yug s ALA 66 N 1.37 3.62 -0.17 7.40 0.00 0.26 -0.86 121.76 133.38 2yug s ALA 66 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 2yug s ALA 66 Cb -0.14 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.61 2yug s ALA 66 CO -0.08 0.49 0.14 0.08 0.00 0.00 0.00 175.76 176.39 2yug s VAL 67 N -1.47 -0.18 0.71 0.00 1.01 -0.83 -2.80 120.40 116.84 2yug s VAL 67 Ca 0.37 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 2yug s VAL 67 Cb -0.14 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2yug s VAL 67 CO 0.19 -0.22 1.22 -0.54 0.00 0.00 0.00 175.10 175.76 2yug s LYS 68 N 2.21 2.22 0.12 2.72 1.02 -1.26 -0.28 119.74 126.49 2yug s LYS 68 Ca 0.04 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2yug s LYS 68 Cb -0.16 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2yug s LYS 68 CO -0.10 -1.79 0.00 1.28 -0.92 0.00 0.00 175.35 173.82 2yug n LEU 69 N -2.55 0.02 -3.63 3.17 4.77 -0.57 -4.86 117.00 113.35 2yug n LEU 69 Ca 0.14 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2yug n LEU 69 Cb 0.50 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 2yug n LEU 69 CO 0.47 -0.63 1.09 -0.94 -1.33 0.00 0.00 177.39 176.04 2yug s SER 70 N -4.64 -0.10 -1.57 -1.43 1.04 -1.25 -4.97 113.70 100.79 2yug s SER 70 Ca 0.00 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 2yug s SER 70 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2yug s SER 70 CO 0.00 -0.10 0.49 -0.67 0.98 0.00 0.00 173.24 173.94 2yug n ASP 71 N 0.49 -6.01 -3.42 7.02 2.03 -1.26 -2.01 116.55 113.39 2yug n ASP 71 Ca -0.01 -0.23 -0.21 0.00 0.52 0.00 0.00 54.79 54.85 2yug n ASP 71 Cb 0.59 -4.86 0.08 0.00 -0.72 0.00 0.00 41.12 36.20 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2yug n SER 72 N -2.32 -5.23 -4.12 1.67 7.64 -1.26 -4.99 113.62 105.02 2yug n SER 72 Ca -0.14 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 58.88 2yug n SER 72 Cb 0.63 -4.84 -0.14 0.00 -1.01 0.00 0.00 64.21 58.85 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 -6.03 2.27 0.22 1.43 1.81 -0.85 -4.37 118.95 113.43 2yug s ARG 73 Ca 0.43 -1.36 0.03 0.00 -1.72 0.00 0.00 55.73 53.11 2yug s ARG 73 Cb -0.19 -3.07 -0.03 0.00 -0.45 0.00 0.00 34.95 31.21 2yug s ARG 73 CO 0.69 -0.63 0.37 0.96 -0.68 0.00 0.00 175.30 176.01 2yug s ILE 74 N 1.16 5.25 -0.27 1.52 -4.36 -1.25 -1.52 121.20 121.73 2yug s ILE 74 Ca -0.05 -0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.60 2yug s ILE 74 Cb -0.20 -3.80 0.04 0.00 1.25 0.00 0.00 42.46 39.75 2yug s ILE 74 CO -0.03 -0.26 -0.03 0.00 0.24 0.00 0.00 174.94 174.85 2yug s ALA 75 N -1.94 2.76 0.33 2.27 0.00 0.61 -2.38 121.76 123.41 2yug s ALA 75 Ca 0.36 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 2yug s ALA 75 Cb -0.10 -1.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 2yug s ALA 75 CO 0.30 -1.04 1.02 -0.51 0.00 0.00 0.00 175.76 175.52 2yug s LEU 76 N 1.29 4.35 -0.10 0.00 1.43 -1.26 -1.96 118.68 122.42 2yug s LEU 76 Ca -0.03 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 2yug s LEU 76 Cb -0.18 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.12 2yug s LEU 76 CO -0.03 -0.22 -0.05 -0.75 0.23 0.00 0.00 176.35 175.53 2yug s LYS 77 N -1.98 1.25 0.64 1.70 2.20 -0.04 -1.53 119.74 121.99 2yug s LYS 77 Ca 0.51 -0.16 -0.18 0.00 -0.36 0.00 0.00 55.97 55.77 2yug s LYS 77 Cb -0.24 -1.43 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 2yug s LYS 77 CO 0.30 -0.29 1.28 -1.13 -0.36 0.00 0.00 175.35 175.15 2yug n SER 78 N 5.00 2.01 0.21 1.43 3.41 0.28 -1.26 113.62 124.70 2yug n SER 78 Ca -0.11 0.83 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2yug n SER 78 Cb 0.50 -1.55 0.76 0.00 -0.26 0.00 0.00 64.21 63.66 2yug n SER 78 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2yug h GLY 79 N 0.55 0.00 1.15 5.00 0.00 -1.34 -1.54 103.07 106.89 2yug h GLY 79 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2yug h GLY 79 CO 0.53 0.00 0.53 -0.97 0.00 0.00 0.00 176.54 176.63 2yug h TYR 80 N 0.00 1.10 0.00 5.60 -1.99 -1.82 -3.43 116.97 116.42 2yug h TYR 80 Ca 0.06 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2yug h TYR 80 Cb 0.29 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.65 2yug h TYR 80 CO 0.00 0.71 0.00 0.41 -0.00 0.00 0.00 178.16 179.28 2yug n GLY 81 N -1.33 0.69 3.28 3.88 0.00 -0.58 -5.12 105.19 106.01 2yug n GLY 81 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 1.07 -0.06 1.61 1.02 -1.23 -4.88 119.74 117.27 2yug s LYS 82 Ca 0.00 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 54.68 2yug s LYS 82 Cb 0.00 0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.61 2yug s LYS 82 CO 0.00 -0.37 0.27 0.71 -0.92 0.00 0.00 175.35 175.04 2yug s TYR 83 N -3.97 3.66 -0.49 3.18 2.02 -1.09 0.99 117.35 121.65 2yug s TYR 83 Ca 0.17 0.75 -0.28 0.00 -0.37 0.00 0.00 57.07 57.34 2yug s TYR 83 Cb 0.04 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2yug s TYR 83 CO -0.01 0.69 1.50 -0.51 -1.57 0.00 0.00 175.55 175.65 2yug s LEU 84 N -1.08 3.47 -0.14 -1.29 1.43 -0.58 -4.12 118.68 116.37 2yug s LEU 84 Ca 0.19 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2yug s LEU 84 Cb -0.14 -3.24 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 2yug s LEU 84 CO 0.09 -1.67 -0.18 -0.83 0.23 0.00 0.00 176.35 173.99 2yug s GLY 85 N 4.76 1.43 0.16 -3.19 0.00 0.46 -4.30 107.32 106.64 2yug s GLY 85 Ca 0.60 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 2yug s GLY 85 CO 0.28 -0.09 1.24 -0.26 0.00 0.00 0.00 173.10 174.27 2yug s ILE 86 N 0.65 3.56 0.90 0.90 -4.36 -1.05 -2.86 121.20 118.93 2yug s ILE 86 Ca -0.09 1.25 -0.14 0.00 -0.26 0.00 0.00 60.65 61.41 2yug s ILE 86 Cb -0.16 -3.80 0.14 0.00 1.25 0.00 0.00 42.46 39.89 2yug s ILE 86 CO 0.02 0.17 1.21 0.20 0.24 0.00 0.00 174.94 176.78 2yug s ASN 87 N 0.42 3.68 0.47 4.36 0.01 -0.73 -4.86 114.94 118.30 2yug s ASN 87 Ca 0.56 0.66 0.12 0.00 -0.71 0.00 0.00 52.86 53.49 2yug s ASN 87 Cb -0.33 -1.02 1.09 0.00 0.41 0.00 0.00 41.25 41.39 2yug s ASN 87 CO 0.35 -2.41 2.10 -1.28 -1.51 0.00 0.00 177.10 174.35 2yug h SER 88 N -1.41 0.18 0.45 -1.22 0.87 -1.95 -2.05 113.55 108.41 2yug h SER 88 Ca -0.46 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 59.83 2yug h SER 88 Cb 1.30 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2yug h SER 88 CO 0.55 0.15 -1.13 0.44 -0.53 0.00 0.00 176.83 176.31 2yug h ASP 89 N 0.21 0.53 0.00 6.23 5.19 -2.03 -3.48 116.42 123.08 2yug h ASP 89 Ca 0.06 -0.50 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2yug h ASP 89 Cb 0.01 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2yug h ASP 89 CO -0.01 1.34 0.00 0.61 -3.12 0.00 0.00 179.24 178.06 2yug n GLY 90 N 1.28 1.37 3.62 2.75 0.00 -0.77 -4.98 105.19 108.45 2yug n GLY 90 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.41 -0.63 0.99 2.96 -1.26 -1.08 118.68 123.07 2yug s LEU 91 Ca 0.00 0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.68 2yug s LEU 91 Cb 0.00 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.94 2yug s LEU 91 CO 0.00 0.34 1.28 -0.69 -1.32 0.00 0.00 176.35 175.96 2yug s VAL 92 N -0.64 3.86 0.46 1.68 1.01 -0.68 -1.76 120.40 124.33 2yug s VAL 92 Ca 0.10 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2yug s VAL 92 Cb -0.12 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 2yug s VAL 92 CO 0.02 -1.46 0.03 0.68 0.00 0.00 0.00 175.10 174.37 2yug s VAL 93 N 5.53 1.21 -0.36 2.92 -7.23 -1.14 -4.08 120.40 117.25 2yug s VAL 93 Ca 0.43 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 2yug s VAL 93 Cb -0.08 -2.41 0.17 0.00 0.56 0.00 0.00 36.38 34.62 2yug s VAL 93 CO 0.22 0.00 0.52 -0.83 -0.31 0.00 0.00 175.10 174.70 2yug s GLY 94 N -3.76 -0.83 -0.16 2.32 0.00 -1.23 -0.40 107.32 103.27 2yug s GLY 94 Ca 0.17 0.02 0.23 0.00 0.00 0.00 0.00 44.72 45.14 2yug s GLY 94 CO 0.09 3.33 1.15 0.54 0.00 0.00 0.00 173.10 178.21 2yug n ARG 95 N 4.66 0.98 -4.32 2.90 1.74 -1.26 -4.81 116.66 116.55 2yug n ARG 95 Ca 0.09 -2.71 -0.17 0.00 -0.77 0.00 0.00 57.85 54.28 2yug n ARG 95 Cb 0.52 -0.80 -0.10 0.00 -1.02 0.00 0.00 32.46 31.06 2yug n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yug s SER 96 N -2.87 2.34 -0.21 0.55 0.15 -1.26 -5.02 113.70 107.37 2yug s SER 96 Ca 0.28 -1.03 0.11 0.00 0.70 0.00 0.00 55.95 56.01 2yug s SER 96 Cb 0.34 -0.10 0.43 0.00 -1.71 0.00 0.00 66.02 64.98 2yug s SER 96 CO -0.09 -0.23 1.21 0.47 1.20 0.00 0.00 173.24 175.80 2yug n ASP 97 N -0.33 2.25 -2.96 5.45 8.00 -1.26 -2.67 116.55 125.04 2yug n ASP 97 Ca -0.08 -3.75 -0.13 0.00 0.71 0.00 0.00 54.79 51.54 2yug n ASP 97 Cb 0.61 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2yug n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yug n ALA 98 N -0.95 -0.83 -3.69 2.24 0.00 -1.26 -5.04 120.51 110.98 2yug n ALA 98 Ca 0.23 -1.53 -0.38 0.00 0.00 0.00 0.00 53.44 51.76 2yug n ALA 98 Cb 0.77 1.23 -0.10 0.00 0.00 0.00 0.00 19.45 21.35 2yug n ALA 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yug s ILE 99 N -2.58 3.70 0.49 0.00 1.01 -1.26 -4.71 121.20 117.85 2yug s ILE 99 Ca 0.25 -2.16 0.08 0.00 0.00 0.00 0.00 60.65 58.81 2yug s ILE 99 Cb -0.02 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 39.00 2yug s ILE 99 CO 0.18 -0.76 0.52 -0.83 0.00 0.00 0.00 174.94 174.05 2yug s GLY 100 N 1.86 2.06 0.15 6.18 0.00 -1.26 -4.97 107.32 111.35 2yug s GLY 100 Ca 0.09 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 42.85 2yug s GLY 100 CO -0.03 -1.73 1.66 -2.55 0.00 0.00 0.00 173.10 170.45 2yug h PRO 101 N 0.68 -0.10 -0.02 2.90 0.11 -1.98 -0.09 132.00 133.49 2yug h PRO 101 Ca -0.37 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.75 2yug h PRO 101 Cb 1.28 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2yug h PRO 101 CO 0.51 -0.07 0.02 0.00 -0.21 0.00 0.00 178.00 178.25 2yug h ARG 102 N -0.11 0.00 0.00 1.05 3.08 -1.96 -0.66 114.38 115.78 2yug h ARG 102 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 2yug h ARG 102 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2yug h ARG 102 CO -0.36 0.00 -0.49 0.93 -1.07 0.00 0.00 179.97 178.97 2yug h GLU 103 N 0.00 0.00 -6.95 0.04 3.07 -1.25 -2.78 114.58 106.71 2yug h GLU 103 Ca 0.01 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.31 2yug h GLU 103 Cb 0.04 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.10 2yug h GLU 103 CO -0.00 0.49 0.44 1.04 -1.40 0.00 0.00 179.01 179.58 2yug n GLN 104 N -3.33 1.45 -4.50 2.33 6.02 -0.26 -4.54 117.38 114.55 2yug n GLN 104 Ca 0.01 0.54 -0.26 0.00 -0.01 0.00 0.00 57.00 57.28 2yug n GLN 104 Cb 0.67 -2.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.44 2yug n GLN 104 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2yug n TRP 105 N -1.16 0.09 -3.16 1.08 7.02 -1.00 -3.73 117.44 116.58 2yug n TRP 105 Ca 0.11 -2.75 0.01 0.00 -1.02 0.00 0.00 57.50 53.86 2yug n TRP 105 Cb 0.45 0.01 -0.01 0.00 -2.42 0.00 0.00 31.31 29.34 2yug n TRP 105 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2yug s GLU 106 N -3.61 0.74 1.02 -0.99 2.12 -0.54 -3.80 118.70 113.64 2yug s GLU 106 Ca 0.23 -0.22 -0.13 0.00 0.36 0.00 0.00 54.97 55.20 2yug s GLU 106 Cb 0.01 0.09 0.20 0.00 0.26 0.00 0.00 34.13 34.70 2yug s GLU 106 CO 0.16 -1.08 1.09 -1.25 -0.54 0.00 0.00 175.26 173.64 2yug s PRO 107 N 1.88 0.24 0.06 4.30 0.04 -1.26 -1.52 135.00 138.74 2yug s PRO 107 Ca 0.16 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.57 2yug s PRO 107 Cb -0.03 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2yug s PRO 107 CO -0.08 -2.85 0.20 0.08 0.04 0.00 0.00 177.00 174.39 2yug s VAL 108 N -2.96 0.12 -0.20 -0.36 1.01 -0.98 -4.81 120.40 112.21 2yug s VAL 108 Ca 0.66 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2yug s VAL 108 Cb -0.18 -1.09 0.10 0.00 0.00 0.00 0.00 36.38 35.21 2yug s VAL 108 CO 0.58 -0.55 0.34 -0.36 0.00 0.00 0.00 175.10 175.10 2yug s PHE 109 N -3.11 -0.66 -0.09 5.22 0.40 -1.26 -2.82 117.98 115.67 2yug s PHE 109 Ca -0.01 0.93 -0.05 0.00 -0.60 0.00 0.00 56.93 57.20 2yug s PHE 109 Cb 0.01 0.02 0.04 0.00 0.51 0.00 0.00 43.02 43.60 2yug s PHE 109 CO -0.07 -0.57 0.22 -1.14 0.70 0.00 0.00 175.22 174.36 2yug s GLN 110 N 2.50 0.20 -1.79 0.44 2.00 -1.07 -4.85 119.66 117.08 2yug s GLN 110 Ca 0.06 0.43 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 2yug s GLN 110 Cb -0.14 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.61 2yug s GLN 110 CO -0.13 -0.12 0.00 -0.25 -0.50 0.00 0.00 175.29 174.29 2yug n ASP 111 N 3.86 -5.21 0.00 6.67 9.92 -1.26 -1.13 116.55 129.40 2yug n ASP 111 Ca -0.22 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2yug n ASP 111 Cb 0.54 -4.48 0.00 0.00 -0.64 0.00 0.00 41.12 36.54 2yug n ASP 111 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yug n GLY 112 N -0.67 2.89 3.51 0.44 0.00 -1.26 -5.03 105.19 105.06 2yug n GLY 112 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.02 -1.90 -0.29 1.61 1.02 -0.29 -5.05 119.74 114.82 2yug s LYS 113 Ca 0.00 -0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.72 2yug s LYS 113 Cb 0.00 -1.52 0.13 0.00 -0.52 0.00 0.00 37.83 35.92 2yug s LYS 113 CO 0.00 -4.15 0.91 0.00 -0.92 0.00 0.00 175.35 171.19 2yug s MET 114 N -5.40 0.44 -0.04 1.68 0.23 -1.26 -2.61 119.30 112.34 2yug s MET 114 Ca 0.71 0.80 0.00 0.00 -1.03 0.00 0.00 55.69 56.18 2yug s MET 114 Cb -0.09 0.14 0.02 0.00 -1.53 0.00 0.00 34.83 33.38 2yug s MET 114 CO 0.56 -0.10 -0.02 0.00 -2.03 0.00 0.00 175.02 173.44 2yug s ALA 115 N 1.54 0.48 -0.19 3.16 0.00 -1.13 -2.68 121.76 122.95 2yug s ALA 115 Ca -0.09 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 2yug s ALA 115 Cb -0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 2yug s ALA 115 CO -0.16 -0.09 1.09 -1.17 0.00 0.00 0.00 175.76 175.43 2yug s LEU 116 N 1.07 4.15 -0.26 0.00 2.96 -1.26 -2.33 118.68 123.01 2yug s LEU 116 Ca -0.09 1.49 -0.10 0.00 -0.22 0.00 0.00 54.13 55.22 2yug s LEU 116 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2yug s LEU 116 CO -0.01 -0.65 0.14 -0.22 -1.32 0.00 0.00 176.35 174.29 2yug s LEU 117 N 3.02 3.86 1.00 -0.68 2.96 -0.58 -2.70 118.68 125.57 2yug s LEU 117 Ca 0.48 -0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 54.22 2yug s LEU 117 Cb -0.17 -2.05 0.19 0.00 0.50 0.00 0.00 46.19 44.65 2yug s LEU 117 CO 0.11 -0.01 1.10 0.00 -1.32 0.00 0.00 176.35 176.23 2yug s ALA 118 N 1.49 1.02 -1.16 5.97 0.00 -0.71 -1.46 121.76 126.91 2yug s ALA 118 Ca 0.07 -0.43 0.19 0.00 0.00 0.00 0.00 51.96 51.78 2yug s ALA 118 Cb -0.15 -3.09 0.88 0.00 0.00 0.00 0.00 23.12 20.76 2yug s ALA 118 CO 0.07 -2.82 1.61 0.45 0.00 0.00 0.00 175.76 175.07 2yug n SER 119 N -4.16 0.00 -1.82 0.00 2.88 -1.24 -2.79 113.62 106.48 2yug n SER 119 Ca 0.05 0.32 -0.08 0.00 -1.33 0.00 0.00 58.87 57.83 2yug n SER 119 Cb 0.58 -0.42 0.23 0.00 -0.75 0.00 0.00 64.21 63.84 2yug n SER 119 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2yug n ASN 120 N -1.42 4.15 -2.49 -3.46 5.15 -1.26 -4.88 115.26 111.05 2yug n ASN 120 Ca 0.06 -3.04 -0.17 0.00 -0.60 0.00 0.00 54.58 50.83 2yug n ASN 120 Cb 0.20 -0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 38.73 2yug n ASN 120 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2yug n SER 121 N -0.22 -4.87 -3.74 1.20 7.64 -1.12 -4.95 113.62 107.55 2yug n SER 121 Ca 0.36 0.06 -0.16 0.00 1.01 0.00 0.00 58.87 60.14 2yug n SER 121 Cb 1.25 -4.08 -0.16 0.00 -1.01 0.00 0.00 64.21 60.21 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 4.49 -3.84 -4.36 0.00 3.72 -1.20 -1.75 117.46 114.53 2yug n PHE 123 Ca -0.21 -0.84 -0.25 0.00 -0.05 0.00 0.00 57.45 56.10 2yug n PHE 123 Cb 0.50 -1.26 -0.10 0.00 -0.94 0.00 0.00 39.48 37.69 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 -2.15 2.91 -0.24 4.37 -5.25 -1.10 -1.29 121.20 118.44 2yug s ILE 124 Ca 0.68 -1.96 -0.32 0.00 -0.99 0.00 0.00 60.65 58.06 2yug s ILE 124 Cb -0.12 -2.48 0.16 0.00 2.95 0.00 0.00 42.46 42.98 2yug s ILE 124 CO 0.57 -0.23 1.26 0.00 -1.79 0.00 0.00 174.94 174.75 2yug s ARG 125 N -3.13 0.21 0.55 0.37 1.04 -1.10 -4.77 118.95 112.12 2yug s ARG 125 Ca 0.27 -0.01 0.06 0.00 -1.04 0.00 0.00 55.73 55.01 2yug s ARG 125 Cb -0.07 0.10 0.06 0.00 -2.04 0.00 0.00 34.95 33.00 2yug s ARG 125 CO 0.15 -0.08 0.75 0.00 -0.04 0.00 0.00 175.30 176.09 2yug s ASN 127 N -4.54 3.11 0.03 0.00 0.01 -1.09 -4.91 114.94 107.55 2yug s ASN 127 Ca 0.60 -1.74 -0.07 0.00 -0.71 0.00 0.00 52.86 50.94 2yug s ASN 127 Cb -0.08 0.63 -0.30 0.00 0.41 0.00 0.00 41.25 41.91 2yug s ASN 127 CO 0.38 -0.99 0.98 -0.33 -1.51 0.00 0.00 177.10 175.63 2yug h GLU 128 N 1.65 0.34 0.00 -0.60 4.39 -2.01 -3.30 114.58 115.05 2yug h GLU 128 Ca -0.35 -0.58 -0.07 0.00 0.34 0.00 0.00 59.36 58.69 2yug h GLU 128 Cb 1.28 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2yug h GLU 128 CO 0.56 1.25 -0.35 0.00 -1.16 0.00 0.00 179.01 179.31 2yug h ALA 129 N 0.42 1.41 0.00 3.43 0.00 -2.04 -3.46 119.26 119.01 2yug h ALA 129 Ca -0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2yug h ALA 129 Cb 2.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yug h ALA 129 CO 0.21 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2yug n GLY 130 N -0.51 1.85 3.08 0.00 0.00 -1.24 -5.06 105.19 103.31 2yug n GLY 130 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.58 -0.68 1.61 1.01 -1.26 -4.28 116.67 114.65 2yug s ASP 131 Ca 0.00 -0.92 -0.18 0.00 0.71 0.00 0.00 52.55 52.16 2yug s ASP 131 Cb 0.00 -1.46 0.13 0.00 1.01 0.00 0.00 42.92 42.60 2yug s ASP 131 CO 0.00 -0.08 0.77 -0.63 0.21 0.00 0.00 175.17 175.43 2yug s ILE 132 N 1.25 4.99 0.38 0.77 1.01 -1.18 -2.66 121.20 125.75 2yug s ILE 132 Ca -0.00 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.32 2yug s ILE 132 Cb -0.16 -4.52 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 2yug s ILE 132 CO -0.10 -1.15 0.03 -1.83 0.00 0.00 0.00 174.94 171.90 2yug s GLU 133 N 2.12 2.04 -0.01 2.79 -1.05 -0.98 -1.68 118.70 121.93 2yug s GLU 133 Ca 0.15 -1.89 -0.28 0.00 -0.15 0.00 0.00 54.97 52.80 2yug s GLU 133 Cb -0.19 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.63 2yug s GLU 133 CO 0.01 0.03 0.90 0.00 0.95 0.00 0.00 175.26 177.15 2yug s ALA 134 N -2.60 3.22 0.73 -0.84 0.00 -0.24 -2.71 121.76 119.32 2yug s ALA 134 Ca 0.36 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.67 2yug s ALA 134 Cb 0.04 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 20.01 2yug s ALA 134 CO 0.19 -0.18 1.05 0.15 0.00 0.00 0.00 175.76 176.98 2yug s LYS 135 N 0.87 2.03 1.40 0.00 -0.14 -0.41 -4.89 119.74 118.59 2yug s LYS 135 Ca 0.48 -0.28 -0.23 0.00 -1.36 0.00 0.00 55.97 54.57 2yug s LYS 135 Cb -0.20 -2.13 0.36 0.00 -1.68 0.00 0.00 37.83 34.17 2yug s LYS 135 CO 0.25 -1.37 0.96 1.21 -0.76 0.00 0.00 175.35 175.65 2yug s ASN 136 N -4.56 -0.82 0.40 2.83 2.47 -1.26 -3.21 114.94 110.78 2yug s ASN 136 Ca 0.62 0.75 0.07 0.00 0.42 0.00 0.00 52.86 54.71 2yug s ASN 136 Cb -0.10 -1.04 0.81 0.00 -1.45 0.00 0.00 41.25 39.48 2yug s ASN 136 CO 0.46 -5.21 2.03 0.11 -3.72 0.00 0.00 177.10 170.77 2yug h LYS 137 N -3.32 0.54 -6.06 0.43 6.56 -1.98 -3.37 116.57 109.37 2yug h LYS 137 Ca -0.42 -0.05 -0.56 0.00 -1.06 0.00 0.00 60.65 58.57 2yug h LYS 137 Cb 1.33 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2yug h LYS 137 CO 0.27 0.39 1.40 0.95 -2.06 0.00 0.00 179.45 180.41 2yug s THR 138 N -5.40 3.25 -0.07 -0.16 -4.23 -1.26 -4.90 115.64 102.86 2yug s THR 138 Ca -0.08 0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 2yug s THR 138 Cb 0.17 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2yug s THR 138 CO 0.74 -0.28 0.53 0.00 -0.54 0.00 0.00 174.62 175.06 2yug s ALA 139 N 8.31 3.48 0.56 3.99 0.00 -1.26 -5.05 121.76 131.79 2yug s ALA 139 Ca 0.88 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.78 2yug s ALA 139 Cb -0.24 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2yug s ALA 139 CO 0.32 0.08 0.34 0.41 0.00 0.00 0.00 175.76 176.90 2yug n GLY 140 N 2.89 2.90 0.24 0.00 0.00 -1.26 -5.00 105.19 104.96 2yug n GLY 140 Ca -0.07 -2.32 0.02 0.00 0.00 0.00 0.00 46.02 43.65 2yug n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yug h GLU 141 N 0.00 0.26 -0.02 1.61 3.07 -1.98 -2.41 114.58 115.11 2yug h GLU 141 Ca -0.37 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.26 2yug h GLU 141 Cb 1.31 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 2yug h GLU 141 CO 0.60 0.41 -0.71 1.05 -1.40 0.00 0.00 179.01 178.96 2yug h GLU 142 N 0.24 0.12 0.00 2.33 9.09 -1.97 -3.07 114.58 121.33 2yug h GLU 142 Ca 0.05 -0.10 -0.05 0.00 0.05 0.00 0.00 59.36 59.30 2yug h GLU 142 Cb 0.42 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.54 2yug h GLU 142 CO 0.03 0.78 -0.25 0.93 0.05 0.00 0.00 179.01 180.55 2yug h GLU 143 N 0.08 0.00 -6.80 1.06 5.08 -1.76 -3.44 114.58 108.80 2yug h GLU 143 Ca -0.02 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 2yug h GLU 143 Cb 1.26 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.61 2yug h GLU 143 CO 0.10 0.25 0.75 -1.33 -1.00 0.00 0.00 179.01 177.78 2yug n MET 144 N -4.17 2.51 -4.46 2.33 2.81 -1.15 -4.84 117.12 110.15 2yug n MET 144 Ca -0.02 0.89 -0.22 0.00 -1.81 0.00 0.00 57.70 56.53 2yug n MET 144 Cb 0.30 -2.61 -0.11 0.00 -0.71 0.00 0.00 33.22 30.10 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 -0.49 1.36 -0.31 2.02 -4.36 -1.09 -4.81 121.20 113.51 2yug s ILE 145 Ca 0.60 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 59.00 2yug s ILE 145 Cb -0.52 -2.75 0.09 0.00 1.25 0.00 0.00 42.46 40.53 2yug s ILE 145 CO 0.55 -0.06 0.01 -0.54 0.24 0.00 0.00 174.94 175.14 2yug s LYS 146 N -3.84 1.58 -0.29 0.37 1.02 0.15 -4.56 119.74 114.17 2yug s LYS 146 Ca 0.35 -1.59 -0.22 0.00 0.02 0.00 0.00 55.97 54.52 2yug s LYS 146 Cb 0.08 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2yug s LYS 146 CO 0.15 -0.83 0.73 0.42 -0.92 0.00 0.00 175.35 174.90 2yug s ILE 147 N 1.07 4.86 0.41 2.17 1.01 -1.26 -0.64 121.20 128.82 2yug s ILE 147 Ca 0.05 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2yug s ILE 147 Cb -0.19 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2yug s ILE 147 CO -0.09 -0.17 0.44 -0.13 0.00 0.00 0.00 174.94 174.99 2yug s ARG 148 N 2.80 2.64 0.03 2.79 0.52 0.20 -3.28 118.95 124.65 2yug s ARG 148 Ca 0.30 -1.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.08 2yug s ARG 148 Cb -0.15 -2.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2yug s ARG 148 CO 0.11 -0.21 -0.02 0.45 0.02 0.00 0.00 175.30 175.66 2yug s SER 149 N -4.20 0.29 -0.07 0.23 0.15 0.10 -0.73 113.70 109.47 2yug s SER 149 Ca 0.50 -0.62 0.23 0.00 0.70 0.00 0.00 55.95 56.75 2yug s SER 149 Cb -0.06 0.14 0.44 0.00 -1.71 0.00 0.00 66.02 64.83 2yug s SER 149 CO 0.30 -0.39 1.17 0.00 1.20 0.00 0.00 173.24 175.52 2yug n ALA 151 N 0.07 -0.75 -2.73 0.00 0.00 -1.26 -4.97 120.51 110.88 2yug n ALA 151 Ca 0.09 -1.24 -0.42 0.00 0.00 0.00 0.00 53.44 51.87 2yug n ALA 151 Cb 1.03 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 2yug n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2yug s GLU 152 N -4.81 3.20 1.12 0.00 0.41 -1.26 -5.02 118.70 112.33 2yug s GLU 152 Ca 0.50 -0.69 -0.14 0.00 -0.41 0.00 0.00 54.97 54.23 2yug s GLU 152 Cb -0.02 -4.32 0.25 0.00 -1.78 0.00 0.00 34.13 28.26 2yug s GLU 152 CO 0.35 -1.96 1.07 1.03 -0.49 0.00 0.00 175.26 175.25 2yug s ARG 153 N 4.66 -0.53 -1.14 1.61 0.52 -1.26 -4.93 118.95 117.88 2yug s ARG 153 Ca 0.29 0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 55.90 2yug s ARG 153 Cb -0.12 -1.63 0.26 0.00 0.52 0.00 0.00 34.95 33.98 2yug s ARG 153 CO 0.10 -3.36 1.80 -0.85 0.02 0.00 0.00 175.30 173.00 2yug n GLU 154 N -4.60 4.66 0.00 3.54 0.28 -1.26 -5.29 120.64 117.97 2yug n GLU 154 Ca 0.06 -4.25 0.04 0.00 -0.16 0.00 0.00 57.16 52.85 2yug n GLU 154 Cb 0.57 -2.59 0.26 0.00 1.43 0.00 0.00 31.44 31.11 2yug n GLU 154 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22