#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 5.00 -0.48 1.61 0.15 -1.26 -5.01 113.70 113.71 2yug s SER 2 Ca 0.00 -0.51 -0.27 0.00 0.70 0.00 0.00 55.95 55.87 2yug s SER 2 Cb 0.00 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2yug s SER 2 CO 0.00 -1.37 1.77 -0.94 1.20 0.00 0.00 173.24 173.91 2yug s SER 3 N -4.60 5.64 0.00 5.45 1.04 -1.26 -4.83 113.70 115.15 2yug s SER 3 Ca 0.61 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.78 2yug s SER 3 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2yug s SER 3 CO 0.39 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 173.22 2yug n GLY 4 N 5.52 2.04 2.66 7.32 0.00 -1.26 -5.12 105.19 116.34 2yug n GLY 4 Ca 0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 2yug n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yug n SER 5 N 0.00 -6.86 -2.38 1.61 2.88 -1.26 -4.78 113.62 102.83 2yug n SER 5 Ca 0.00 1.38 -0.02 0.00 -1.33 0.00 0.00 58.87 58.91 2yug n SER 5 Cb 0.00 -5.19 -0.01 0.00 -0.75 0.00 0.00 64.21 58.26 2yug n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yug n SER 6 N 0.81 -7.01 -4.77 -3.46 2.88 -1.26 -5.00 113.62 95.81 2yug n SER 6 Ca -0.05 1.69 -0.34 0.00 -1.33 0.00 0.00 58.87 58.84 2yug n SER 6 Cb 0.08 -5.13 -0.07 0.00 -0.75 0.00 0.00 64.21 58.33 2yug n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yug s GLY 7 N -0.60 1.99 0.00 0.46 0.00 -1.26 -5.11 107.32 102.80 2yug s GLY 7 Ca -0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 2yug s GLY 7 CO 0.21 -0.68 0.67 -2.27 0.00 0.00 0.00 173.10 171.02 2yug s LEU 8 N -1.49 -0.63 -0.13 0.66 0.20 -1.26 -5.15 118.68 110.88 2yug s LEU 8 Ca 0.20 0.52 -0.15 0.00 0.69 0.00 0.00 54.13 55.39 2yug s LEU 8 Cb -0.12 2.54 -0.05 0.00 -0.43 0.00 0.00 46.19 48.13 2yug s LEU 8 CO 0.10 -0.70 0.36 -1.81 -0.29 0.00 0.00 176.35 174.01 2yug s ASP 9 N -1.60 6.55 -0.04 3.68 1.01 -1.26 -5.07 116.67 119.93 2yug s ASP 9 Ca -0.08 0.64 -0.01 0.00 0.71 0.00 0.00 52.55 53.81 2yug s ASP 9 Cb -0.00 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.74 2yug s ASP 9 CO 0.04 0.10 0.04 -0.51 0.21 0.00 0.00 175.17 175.05 2yug s ILE 10 N 0.32 0.02 -0.78 0.77 2.07 -1.26 -3.01 121.20 119.33 2yug s ILE 10 Ca 0.20 0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 59.61 2yug s ILE 10 Cb -0.14 -0.23 0.21 0.00 0.13 0.00 0.00 42.46 42.43 2yug s ILE 10 CO 0.07 0.18 0.72 -0.69 -1.91 0.00 0.00 174.94 173.31 2yug s VAL 11 N 1.89 5.53 0.00 4.00 1.01 0.33 -4.87 120.40 128.30 2yug s VAL 11 Ca 0.02 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.66 2yug s VAL 11 Cb -0.12 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2yug s VAL 11 CO -0.03 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.67 2yug n GLY 12 N 4.15 1.71 1.27 4.51 0.00 -1.26 -2.61 105.19 112.95 2yug n GLY 12 Ca 0.10 0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 0.41 -3.85 -0.61 -5.35 -1.26 -5.04 119.36 103.66 2yug n ILE 13 Ca 0.00 -1.35 -0.24 0.00 -0.27 0.00 0.00 62.75 60.89 2yug n ILE 13 Cb 0.00 0.74 -0.17 0.00 -1.74 0.00 0.00 39.64 38.47 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 -0.60 0.93 -0.07 4.28 0.52 -1.07 -4.37 118.94 118.57 2yug s TRP 14 Ca 0.33 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.14 2yug s TRP 14 Cb 0.36 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.74 2yug s TRP 14 CO -0.14 -0.38 -0.20 1.67 0.02 0.00 0.00 176.95 177.93 2yug s TRP 15 N 1.81 2.58 0.34 -1.98 1.48 0.42 -0.51 118.94 123.07 2yug s TRP 15 Ca 0.04 -0.54 -0.28 0.00 -1.06 0.00 0.00 56.10 54.26 2yug s TRP 15 Cb -0.12 -1.65 -0.10 0.00 -1.16 0.00 0.00 33.47 30.43 2yug s TRP 15 CO -0.06 -0.10 1.22 0.99 -4.06 0.00 0.00 176.95 174.95 2yug s THR 16 N -0.23 3.00 0.99 0.66 2.01 -1.16 -0.90 115.64 120.00 2yug s THR 16 Ca -0.00 0.96 -0.16 0.00 0.31 0.00 0.00 61.69 62.80 2yug s THR 16 Cb -0.13 -3.59 0.20 0.00 0.01 0.00 0.00 72.50 68.99 2yug s THR 16 CO 0.03 0.20 1.27 0.68 -0.69 0.00 0.00 174.62 176.11 2yug s VAL 17 N -1.21 1.93 0.00 3.82 -7.23 -1.21 -4.91 120.40 111.59 2yug s VAL 17 Ca 0.50 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 2yug s VAL 17 Cb -0.36 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2yug s VAL 17 CO 0.47 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 174.06 2yug n SER 18 N -3.91 1.87 -4.30 4.85 7.64 -1.26 -5.05 113.62 113.47 2yug n SER 18 Ca 0.14 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.80 2yug n SER 18 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 -4.26 2.20 0.23 6.43 4.22 -1.26 -5.03 114.94 117.46 2yug s ASN 19 Ca 0.00 -1.48 -0.08 0.00 -2.14 0.00 0.00 52.86 49.17 2yug s ASN 19 Cb 0.00 0.17 0.26 0.00 1.28 0.00 0.00 41.25 42.96 2yug s ASN 19 CO 0.00 -0.75 1.85 0.15 -2.04 0.00 0.00 177.10 176.32 2yug h PHE 20 N 2.08 0.92 -0.00 1.54 3.57 -1.95 -0.87 116.94 122.22 2yug h PHE 20 Ca -0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2yug h PHE 20 Cb 1.25 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2yug h PHE 20 CO 0.85 0.50 0.02 0.78 -2.23 0.00 0.00 178.31 178.23 2yug h GLY 21 N 0.94 0.00 1.80 2.40 0.00 -2.03 -1.15 103.07 105.03 2yug h GLY 21 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.42 2yug h GLY 21 CO -0.14 0.00 -1.13 0.83 0.00 0.00 0.00 176.54 176.10 2yug h GLU 22 N 0.00 0.13 -6.36 4.80 4.39 -1.56 -3.44 114.58 112.54 2yug h GLU 22 Ca 0.00 -0.23 -0.54 0.00 0.34 0.00 0.00 59.36 58.93 2yug h GLU 22 Cb 0.04 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2yug h GLU 22 CO -0.00 1.10 0.85 0.42 -1.16 0.00 0.00 179.01 180.22 2yug s ILE 23 N -2.68 3.73 -0.27 3.13 1.01 -0.44 -4.97 121.20 120.71 2yug s ILE 23 Ca -0.02 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.43 2yug s ILE 23 Cb 0.09 -3.70 0.18 0.00 0.01 0.00 0.00 42.46 39.03 2yug s ILE 23 CO 0.85 -0.01 1.31 -0.55 0.00 0.00 0.00 174.94 176.54 2yug s SER 24 N 1.94 -0.08 0.91 3.58 0.15 -1.26 -4.88 113.70 114.05 2yug s SER 24 Ca 0.64 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2yug s SER 24 Cb -0.31 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2yug s SER 24 CO 0.26 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2yug n GLY 25 N 0.53 1.23 3.70 9.45 0.00 -1.26 -4.70 105.19 114.13 2yug n GLY 25 Ca -0.01 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 5.12 -0.03 2.61 2.01 -1.26 0.88 115.64 124.97 2yug s THR 26 Ca 0.00 1.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.04 2yug s THR 26 Cb 0.00 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2yug s THR 26 CO 0.00 0.24 0.05 0.27 -0.69 0.00 0.00 174.62 174.50 2yug s ILE 27 N 1.11 -0.03 0.04 1.82 -5.25 0.14 -3.30 121.20 115.73 2yug s ILE 27 Ca 0.27 0.10 0.02 0.00 -0.99 0.00 0.00 60.65 60.05 2yug s ILE 27 Cb -0.16 -0.10 -0.04 0.00 2.95 0.00 0.00 42.46 45.12 2yug s ILE 27 CO 0.11 0.04 0.07 0.00 -1.79 0.00 0.00 174.94 173.38 2yug s ALA 28 N 0.57 3.55 0.21 2.27 0.00 -1.13 -3.00 121.76 124.22 2yug s ALA 28 Ca -0.05 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.06 2yug s ALA 28 Cb -0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2yug s ALA 28 CO -0.02 0.72 -0.15 0.42 0.00 0.00 0.00 175.76 176.73 2yug s ILE 29 N -1.30 2.84 -0.14 0.00 1.01 -1.26 0.35 121.20 122.70 2yug s ILE 29 Ca 0.26 -1.93 -0.04 0.00 0.00 0.00 0.00 60.65 58.94 2yug s ILE 29 Cb -0.12 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 40.00 2yug s ILE 29 CO 0.18 -0.19 0.21 -0.70 0.00 0.00 0.00 174.94 174.44 2yug s GLU 30 N -2.99 0.12 -0.17 2.79 2.12 -1.26 -4.18 118.70 115.14 2yug s GLU 30 Ca 0.25 0.50 -0.19 0.00 0.36 0.00 0.00 54.97 55.89 2yug s GLU 30 Cb -0.08 -0.51 -0.16 0.00 0.26 0.00 0.00 34.13 33.64 2yug s GLU 30 CO 0.14 -0.42 0.27 0.52 -0.54 0.00 0.00 175.26 175.24 2yug h MET 31 N 8.32 0.00 -7.23 4.30 2.86 -1.81 -3.05 114.93 118.33 2yug h MET 31 Ca -0.15 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.03 2yug h MET 31 Cb 1.13 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.88 2yug h MET 31 CO 0.19 0.73 0.16 0.34 1.06 0.00 0.00 176.91 179.39 2yug s ASP 32 N -6.37 4.28 -1.22 1.22 -1.08 -1.23 -4.69 116.67 107.57 2yug s ASP 32 Ca -0.21 -0.14 -0.18 0.00 -0.52 0.00 0.00 52.55 51.51 2yug s ASP 32 Cb 0.02 -0.26 0.10 0.00 -1.46 0.00 0.00 42.92 41.32 2yug s ASP 32 CO 0.50 -1.91 1.60 -0.75 0.52 0.00 0.00 175.17 175.12 2yug s LYS 33 N -5.24 3.95 0.00 4.34 2.20 -1.26 -3.79 119.74 119.94 2yug s LYS 33 Ca 0.66 -2.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 2yug s LYS 33 Cb -0.06 -5.36 0.00 0.00 -1.51 0.00 0.00 37.83 30.90 2yug s LYS 33 CO 0.45 -2.10 0.00 0.41 -0.36 0.00 0.00 175.35 173.75 2yug n GLY 34 N 5.24 1.16 3.79 5.54 0.00 -1.26 -4.97 105.19 114.69 2yug n GLY 34 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.51 3.52 0.36 4.61 0.00 -1.25 -3.47 121.76 124.03 2yug s ALA 35 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.18 2yug s ALA 35 Cb 0.00 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2yug s ALA 35 CO 0.00 0.32 -0.03 0.71 0.00 0.00 0.00 175.76 176.76 2yug s TYR 36 N -0.94 2.33 0.04 0.00 1.51 -1.24 -3.55 117.35 115.50 2yug s TYR 36 Ca 0.32 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 2yug s TYR 36 Cb -0.20 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 2yug s TYR 36 CO 0.21 0.42 1.25 0.42 -1.11 0.00 0.00 175.55 176.74 2yug s ILE 37 N -2.79 3.93 -0.05 2.71 1.09 -1.26 0.14 121.20 124.98 2yug s ILE 37 Ca 0.34 1.36 0.04 0.00 -1.10 0.00 0.00 60.65 61.29 2yug s ILE 37 Cb 0.06 -3.87 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 2yug s ILE 37 CO 0.16 0.07 -0.16 -2.28 -0.10 0.00 0.00 174.94 172.63 2yug s HIS 38 N 1.48 2.65 -0.15 3.97 2.46 0.65 -4.21 115.29 122.13 2yug s HIS 38 Ca 0.60 -0.21 -0.09 0.00 0.47 0.00 0.00 55.06 55.83 2yug s HIS 38 Cb -0.30 -1.61 -0.05 0.00 -0.13 0.00 0.00 32.58 30.49 2yug s HIS 38 CO 0.28 0.15 0.16 0.00 -2.47 0.00 0.00 174.74 172.85 2yug s ALA 39 N -0.70 3.77 0.29 1.58 0.00 -1.26 -0.98 121.76 124.47 2yug s ALA 39 Ca 0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2yug s ALA 39 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2yug s ALA 39 CO 0.00 0.38 0.52 -0.51 0.00 0.00 0.00 175.76 176.16 2yug s LEU 40 N -0.33 4.07 0.37 0.00 1.43 -0.13 -4.95 118.68 119.15 2yug s LEU 40 Ca 0.12 0.58 0.10 0.00 -1.03 0.00 0.00 54.13 53.90 2yug s LEU 40 Cb -0.12 -3.40 0.72 0.00 0.03 0.00 0.00 46.19 43.42 2yug s LEU 40 CO 0.02 -0.20 1.86 -0.78 0.23 0.00 0.00 176.35 177.47 2yug h ASP 41 N 1.44 0.16 0.42 2.29 3.58 -1.99 -2.50 116.42 119.82 2yug h ASP 41 Ca -0.48 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 56.81 2yug h ASP 41 Cb 1.20 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 2yug h ASP 41 CO 0.65 0.42 -0.51 -0.55 -2.88 0.00 0.00 179.24 176.36 2yug h ASN 42 N 0.15 0.12 0.00 2.28 7.08 -2.02 -3.47 115.58 119.71 2yug h ASN 42 Ca 0.02 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 2yug h ASN 42 Cb 0.53 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 2yug h ASN 42 CO 0.04 0.61 0.00 0.61 -2.08 0.00 0.00 177.43 176.61 2yug n GLY 43 N -0.01 1.23 3.41 9.14 0.00 -0.94 -5.09 105.19 112.93 2yug n GLY 43 Ca -0.02 0.00 -0.31 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 -0.50 -0.05 0.99 1.43 -1.26 -3.53 118.68 115.76 2yug s LEU 44 Ca 0.00 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2yug s LEU 44 Cb 0.00 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2yug s LEU 44 CO 0.00 -4.99 0.10 -0.36 0.23 0.00 0.00 176.35 171.32 2yug s PHE 45 N -2.61 -0.07 0.18 0.29 0.40 -1.26 -0.95 117.98 113.95 2yug s PHE 45 Ca 0.70 0.35 0.09 0.00 -0.60 0.00 0.00 56.93 57.47 2yug s PHE 45 Cb -0.09 -0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 2yug s PHE 45 CO 0.56 -0.15 -0.18 -0.08 0.70 0.00 0.00 175.22 176.07 2yug s THR 46 N 1.37 1.84 -0.27 0.64 -1.32 -0.15 -3.27 115.64 114.47 2yug s THR 46 Ca -0.06 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.13 2yug s THR 46 Cb -0.12 -1.91 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 2yug s THR 46 CO -0.05 -0.37 1.48 -0.22 -2.21 0.00 0.00 174.62 173.25 2yug s LEU 47 N -2.84 3.84 0.57 9.08 2.96 -1.26 -0.25 118.68 130.78 2yug s LEU 47 Ca 0.18 1.37 -0.19 0.00 -0.22 0.00 0.00 54.13 55.26 2yug s LEU 47 Cb -0.05 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2yug s LEU 47 CO 0.07 -1.23 1.20 -0.83 -1.32 0.00 0.00 176.35 174.25 2yug s GLY 48 N 3.73 2.74 0.33 7.98 0.00 0.12 -4.88 107.32 117.34 2yug s GLY 48 Ca 0.65 1.00 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 2yug s GLY 48 CO 0.27 1.39 1.47 0.00 0.00 0.00 0.00 173.10 176.24 2yug s ALA 49 N -1.60 3.61 0.88 3.20 0.00 -1.26 -3.70 121.76 122.88 2yug s ALA 49 Ca 0.76 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 54.06 2yug s ALA 49 Cb -0.30 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.27 2yug s ALA 49 CO 0.33 -0.92 0.58 -2.30 0.00 0.00 0.00 175.76 173.46 2yug n PRO 50 N 1.19 -0.10 -2.10 0.00 -0.02 -1.26 -4.75 135.00 127.96 2yug n PRO 50 Ca 0.03 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 2yug n PRO 50 Cb 0.39 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2yug n PRO 50 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2yug s HIS 51 N -2.26 3.46 0.00 6.00 3.76 -1.23 -4.97 115.29 120.06 2yug s HIS 51 Ca 0.62 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 56.55 2yug s HIS 51 Cb -0.26 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.68 2yug s HIS 51 CO 0.62 -0.79 0.33 0.54 -0.85 0.00 0.00 174.74 174.59 2yug n ARG 52 N -2.72 0.00 -1.69 1.40 1.74 -1.26 -4.87 116.66 109.26 2yug n ARG 52 Ca 0.05 0.30 -0.31 0.00 -0.77 0.00 0.00 57.85 57.11 2yug n ARG 52 Cb 0.56 -1.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.03 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 -1.25 3.08 0.20 5.56 0.41 -1.26 -4.97 118.70 120.47 2yug s GLU 53 Ca 0.00 0.98 0.06 0.00 -0.41 0.00 0.00 54.97 55.60 2yug s GLU 53 Cb 0.00 -2.01 0.11 0.00 -1.78 0.00 0.00 34.13 30.45 2yug s GLU 53 CO 0.00 -0.99 1.46 0.28 -0.49 0.00 0.00 175.26 175.52 2yug h VAL 54 N -0.46 1.50 -3.60 2.63 2.07 -2.05 -3.38 116.25 112.98 2yug h VAL 54 Ca -0.44 -2.51 -0.76 0.00 0.82 0.00 0.00 66.70 63.80 2yug h VAL 54 Cb 1.21 2.37 -0.30 0.00 -1.52 0.00 0.00 31.29 33.04 2yug h VAL 54 CO 0.57 0.73 0.09 -0.62 0.02 0.00 0.00 177.57 178.36 2yug s ASP 55 N -6.86 6.52 -0.07 0.57 2.15 -1.26 -5.01 116.67 112.71 2yug s ASP 55 Ca -0.02 -3.21 -0.10 0.00 0.43 0.00 0.00 52.55 49.65 2yug s ASP 55 Cb 0.11 -2.09 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 2yug s ASP 55 CO 0.80 -0.37 0.26 -0.70 -0.17 0.00 0.00 175.17 174.99 2yug s GLU 56 N -0.63 0.40 0.48 4.34 2.12 -1.26 -4.86 118.70 119.29 2yug s GLU 56 Ca 0.24 0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.56 2yug s GLU 56 Cb -0.11 0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 2yug s GLU 56 CO -0.08 -0.07 0.97 0.20 -0.54 0.00 0.00 175.26 175.74 2yug s GLY 57 N -0.30 2.20 0.65 -1.50 0.00 -1.26 -4.92 107.32 102.20 2yug s GLY 57 Ca -0.04 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 2yug s GLY 57 CO 0.01 0.56 1.08 2.56 0.00 0.00 0.00 173.10 177.32 2yug s PRO 58 N -3.70 2.96 0.72 2.90 0.04 -1.26 -5.04 135.00 131.61 2yug s PRO 58 Ca 0.60 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2yug s PRO 58 Cb -0.10 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2yug s PRO 58 CO 0.24 -1.11 1.07 -1.12 0.04 0.00 0.00 177.00 176.13 2yug s SER 59 N -2.84 5.24 0.22 6.66 0.01 -1.26 -4.83 113.70 116.89 2yug s SER 59 Ca 0.64 1.40 -0.08 0.00 1.31 0.00 0.00 55.95 59.22 2yug s SER 59 Cb -0.18 -2.24 0.31 0.00 0.21 0.00 0.00 66.02 64.12 2yug s SER 59 CO 0.42 -1.51 1.75 -0.65 0.41 0.00 0.00 173.24 173.67 2yug h PRO 60 N -0.76 0.45 0.00 12.44 0.11 -1.96 -0.72 132.00 141.56 2yug h PRO 60 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2yug h PRO 60 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2yug h PRO 60 CO 0.60 0.30 -0.07 -1.35 -0.21 0.00 0.00 178.00 177.26 2yug h PRO 61 N 0.46 0.00 0.00 1.05 0.11 -1.95 -2.07 132.00 129.60 2yug h PRO 61 Ca 0.33 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.23 2yug h PRO 61 Cb 0.40 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 2yug h PRO 61 CO -0.31 0.07 -1.08 0.93 -0.21 0.00 0.00 178.00 177.41 2yug h GLU 62 N 0.00 0.00 -6.96 1.05 5.08 -1.41 -3.37 114.58 108.98 2yug h GLU 62 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2yug h GLU 62 Cb 0.13 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.45 2yug h GLU 62 CO 0.01 0.85 0.55 -0.65 -1.00 0.00 0.00 179.01 178.78 2yug s GLN 63 N -2.72 3.92 0.05 2.33 -0.21 -0.39 -4.62 119.66 118.02 2yug s GLN 63 Ca 0.00 1.99 0.03 0.00 0.02 0.00 0.00 55.36 57.41 2yug s GLN 63 Cb 0.09 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 2yug s GLN 63 CO 0.81 -0.48 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.35 2yug s PHE 64 N -1.35 0.82 -0.23 0.91 0.08 -1.16 -3.50 117.98 113.55 2yug s PHE 64 Ca 0.59 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 2yug s PHE 64 Cb -0.34 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 2yug s PHE 64 CO 0.43 -0.05 0.10 0.99 -0.10 0.00 0.00 175.22 176.60 2yug s THR 65 N -1.38 4.84 0.39 0.64 2.01 0.81 0.24 115.64 123.20 2yug s THR 65 Ca -0.07 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2yug s THR 65 Cb -0.10 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2yug s THR 65 CO 0.01 0.37 0.60 0.00 -0.69 0.00 0.00 174.62 174.91 2yug s ALA 66 N 1.05 3.71 -0.25 7.40 0.00 0.25 -0.12 121.76 133.81 2yug s ALA 66 Ca 0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2yug s ALA 66 Cb -0.14 -2.13 0.14 0.00 0.00 0.00 0.00 23.12 20.99 2yug s ALA 66 CO 0.04 -0.15 0.40 0.08 0.00 0.00 0.00 175.76 176.12 2yug s VAL 67 N -2.41 -0.64 0.14 0.00 1.01 -1.10 -4.02 120.40 113.38 2yug s VAL 67 Ca 0.43 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 2yug s VAL 67 Cb -0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 2yug s VAL 67 CO 0.37 -0.12 1.66 -0.54 0.00 0.00 0.00 175.10 176.47 2yug s LYS 68 N 2.58 4.18 0.00 2.72 1.02 -1.26 -0.73 119.74 128.25 2yug s LYS 68 Ca 0.13 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.56 2yug s LYS 68 Cb -0.15 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2yug s LYS 68 CO -0.17 -0.70 0.00 1.28 -0.92 0.00 0.00 175.35 174.84 2yug n LEU 69 N 4.61 0.00 -3.65 3.17 4.77 0.81 -4.94 117.00 121.77 2yug n LEU 69 Ca 0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 2yug n LEU 69 Cb 0.38 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2yug n LEU 69 CO 0.63 -0.19 1.19 -0.94 -1.33 0.00 0.00 177.39 176.75 2yug s SER 70 N -1.61 -0.01 -1.35 -1.43 1.04 -1.14 -4.96 113.70 104.24 2yug s SER 70 Ca 0.00 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 2yug s SER 70 Cb 0.00 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2yug s SER 70 CO 0.00 -0.01 1.16 0.47 0.98 0.00 0.00 173.24 175.84 2yug n ASP 71 N 0.27 -5.89 -2.31 7.02 8.00 -1.26 -1.59 116.55 120.78 2yug n ASP 71 Ca 0.03 -0.56 -0.19 0.00 0.71 0.00 0.00 54.79 54.78 2yug n ASP 71 Cb 0.58 -5.01 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 2yug n ASP 71 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yug n SER 72 N -3.03 -5.51 -4.40 -2.24 7.64 -1.26 -4.98 113.62 99.85 2yug n SER 72 Ca -0.02 -0.09 -0.34 0.00 1.01 0.00 0.00 58.87 59.43 2yug n SER 72 Cb 0.57 -4.50 -0.13 0.00 -1.01 0.00 0.00 64.21 59.14 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 -5.12 3.49 0.03 1.43 1.81 -0.62 -4.06 118.95 115.91 2yug s ARG 73 Ca 0.08 -0.60 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 2yug s ARG 73 Cb -0.03 -2.90 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 2yug s ARG 73 CO 0.10 0.05 -0.15 0.96 -0.68 0.00 0.00 175.30 175.58 2yug s ILE 74 N 0.83 1.17 0.80 1.52 -4.36 -1.21 -0.14 121.20 119.81 2yug s ILE 74 Ca -0.02 -0.93 -0.07 0.00 -0.26 0.00 0.00 60.65 59.37 2yug s ILE 74 Cb -0.15 -1.03 0.14 0.00 1.25 0.00 0.00 42.46 42.67 2yug s ILE 74 CO 0.01 0.09 1.11 0.00 0.24 0.00 0.00 174.94 176.40 2yug s ALA 75 N -0.73 3.10 -0.09 2.27 0.00 0.09 -2.76 121.76 123.65 2yug s ALA 75 Ca 0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 2yug s ALA 75 Cb -0.07 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.72 2yug s ALA 75 CO 0.01 -1.78 0.22 -0.51 0.00 0.00 0.00 175.76 173.71 2yug s LEU 76 N -5.42 0.53 -0.07 0.00 1.43 -1.25 -2.70 118.68 111.20 2yug s LEU 76 Ca 0.68 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 2yug s LEU 76 Cb -0.06 0.65 -0.00 0.00 0.03 0.00 0.00 46.19 46.82 2yug s LEU 76 CO 0.47 -0.16 -0.20 -0.75 0.23 0.00 0.00 176.35 175.95 2yug s LYS 77 N 1.16 2.35 0.58 1.70 2.20 0.83 -0.63 119.74 127.93 2yug s LYS 77 Ca -0.09 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.69 2yug s LYS 77 Cb -0.10 -1.89 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 2yug s LYS 77 CO -0.07 0.20 1.00 -1.54 -0.36 0.00 0.00 175.35 174.58 2yug s SER 78 N 0.24 6.32 0.54 1.43 1.04 0.78 -0.13 113.70 123.92 2yug s SER 78 Ca -0.11 1.42 0.20 0.00 0.48 0.00 0.00 55.95 57.94 2yug s SER 78 Cb -0.15 -2.46 1.42 0.00 0.10 0.00 0.00 66.02 64.92 2yug s SER 78 CO 0.05 -0.78 2.17 1.23 0.98 0.00 0.00 173.24 176.89 2yug h GLY 79 N 0.02 0.00 1.97 7.32 0.00 -1.73 -1.23 103.07 109.41 2yug h GLY 79 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 2yug h GLY 79 CO 0.62 0.00 -0.08 -0.97 0.00 0.00 0.00 176.54 176.10 2yug h TYR 80 N 0.00 0.04 0.00 5.60 0.05 -1.91 -3.46 116.97 117.29 2yug h TYR 80 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2yug h TYR 80 Cb 0.05 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2yug h TYR 80 CO 0.00 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 2yug n GLY 81 N -1.23 1.99 3.61 3.88 0.00 -0.47 -5.14 105.19 107.83 2yug n GLY 81 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.22 2.00 -0.13 1.61 1.02 -1.24 -4.95 119.74 117.83 2yug s LYS 82 Ca 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 55.97 53.77 2yug s LYS 82 Cb 0.00 -1.12 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 2yug s LYS 82 CO 0.00 -0.34 -0.14 0.71 -0.92 0.00 0.00 175.35 174.66 2yug s TYR 83 N -3.04 2.79 0.33 3.18 1.51 -1.26 -0.15 117.35 120.72 2yug s TYR 83 Ca 0.20 -0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 55.26 2yug s TYR 83 Cb 0.04 -1.84 -0.10 0.00 -0.11 0.00 0.00 41.96 39.94 2yug s TYR 83 CO 0.11 -0.26 1.36 -0.51 -1.11 0.00 0.00 175.55 175.14 2yug s LEU 84 N 0.41 4.40 0.12 -1.29 1.43 0.19 -3.83 118.68 120.11 2yug s LEU 84 Ca -0.11 2.77 -0.16 0.00 -1.03 0.00 0.00 54.13 55.60 2yug s LEU 84 Cb -0.16 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.44 2yug s LEU 84 CO 0.05 -0.63 0.40 -0.83 0.23 0.00 0.00 176.35 175.57 2yug s GLY 85 N -0.33 -0.26 0.08 -3.19 0.00 -0.76 -4.18 107.32 98.67 2yug s GLY 85 Ca 0.51 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 45.25 2yug s GLY 85 CO 0.54 -0.28 0.01 -0.26 0.00 0.00 0.00 173.10 173.11 2yug s ILE 86 N -3.66 4.11 0.45 0.90 -4.36 -1.02 0.25 121.20 117.86 2yug s ILE 86 Ca 0.02 -0.93 -0.02 0.00 -0.26 0.00 0.00 60.65 59.46 2yug s ILE 86 Cb 0.02 -2.95 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 2yug s ILE 86 CO -0.11 0.14 0.69 0.20 0.24 0.00 0.00 174.94 176.10 2yug s ASN 87 N -2.28 6.03 0.31 4.36 -0.87 0.20 -4.80 114.94 117.90 2yug s ASN 87 Ca 0.26 0.54 0.08 0.00 -1.57 0.00 0.00 52.86 52.17 2yug s ASN 87 Cb -0.12 -1.87 0.50 0.00 -0.02 0.00 0.00 41.25 39.75 2yug s ASN 87 CO 0.18 -0.61 1.72 -1.28 -2.57 0.00 0.00 177.10 174.55 2yug h SER 88 N 0.38 0.19 -0.33 -1.22 0.87 -2.00 -3.08 113.55 108.35 2yug h SER 88 Ca -0.47 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 59.94 2yug h SER 88 Cb 1.23 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2yug h SER 88 CO 0.60 0.59 -0.07 0.44 -0.53 0.00 0.00 176.83 177.85 2yug h ASP 89 N 0.15 0.63 0.00 6.23 5.19 -2.06 -3.47 116.42 123.09 2yug h ASP 89 Ca 0.01 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 2yug h ASP 89 Cb 0.80 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2yug h ASP 89 CO 0.06 0.84 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 2yug n GLY 90 N -0.19 0.25 3.17 2.75 0.00 -1.16 -5.14 105.19 104.86 2yug n GLY 90 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 2.49 -0.41 0.99 2.96 -1.26 -4.17 118.68 119.29 2yug s LEU 91 Ca 0.00 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 52.87 2yug s LEU 91 Cb 0.00 -0.09 0.09 0.00 0.50 0.00 0.00 46.19 46.69 2yug s LEU 91 CO 0.00 -0.44 0.23 -0.69 -1.32 0.00 0.00 176.35 174.13 2yug s VAL 92 N -3.45 3.81 -0.02 1.68 1.01 -0.58 0.63 120.40 123.48 2yug s VAL 92 Ca 0.11 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 60.44 2yug s VAL 92 Cb 0.04 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2yug s VAL 92 CO -0.04 -0.58 -0.12 0.68 0.00 0.00 0.00 175.10 175.04 2yug s VAL 93 N 1.31 1.00 -1.07 2.92 -7.23 0.14 -4.46 120.40 113.01 2yug s VAL 93 Ca 0.04 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.63 2yug s VAL 93 Cb -0.23 -0.86 0.27 0.00 0.56 0.00 0.00 36.38 36.11 2yug s VAL 93 CO -0.01 0.29 1.04 0.61 -0.31 0.00 0.00 175.10 176.73 2yug n GLY 94 N 3.02 4.20 2.46 2.32 0.00 -1.23 -1.84 105.19 114.13 2yug n GLY 94 Ca -0.16 -2.59 -0.22 0.00 0.00 0.00 0.00 46.02 43.05 2yug n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yug n ARG 95 N 2.57 0.29 0.00 1.61 1.74 -1.25 -4.60 116.66 117.03 2yug n ARG 95 Ca 0.24 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.40 2yug n ARG 95 Cb 0.38 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2yug n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yug n SER 96 N 2.76 0.00 -1.83 0.55 2.88 -1.26 -5.04 113.62 111.68 2yug n SER 96 Ca 0.27 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 2yug n SER 96 Cb 0.50 0.03 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.97 -4.38 -3.63 -3.46 2.03 -1.26 -4.99 116.55 98.88 2yug n ASP 97 Ca 0.00 -0.11 -0.10 0.00 0.52 0.00 0.00 54.79 55.10 2yug n ASP 97 Cb 0.00 -3.38 -0.07 0.00 -0.72 0.00 0.00 41.12 36.95 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 -2.84 -1.96 -0.68 -1.67 0.00 -1.26 -5.02 121.76 108.33 2yug s ALA 98 Ca 0.12 1.83 -0.26 0.00 0.00 0.00 0.00 51.96 53.64 2yug s ALA 98 Cb -0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2yug s ALA 98 CO 0.14 -0.25 1.84 0.42 0.00 0.00 0.00 175.76 177.92 2yug s ILE 99 N 0.00 3.40 0.45 0.00 1.01 -1.26 -4.91 121.20 119.89 2yug s ILE 99 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2yug s ILE 99 Cb -0.04 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.43 2yug s ILE 99 CO -0.05 -0.98 0.18 0.61 0.00 0.00 0.00 174.94 174.70 2yug n GLY 100 N 5.91 3.21 0.21 6.18 0.00 -1.26 -5.02 105.19 114.41 2yug n GLY 100 Ca 0.23 -2.31 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 2yug n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yug h PRO 101 N 0.00 0.66 0.00 1.61 0.13 -1.95 -2.50 132.00 129.95 2yug h PRO 101 Ca -0.33 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2yug h PRO 101 Cb 1.08 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2yug h PRO 101 CO 0.53 0.70 -0.13 0.00 -0.23 0.00 0.00 178.00 178.86 2yug h ARG 102 N 0.52 0.00 0.00 0.86 3.08 -1.96 -1.34 114.38 115.54 2yug h ARG 102 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2yug h ARG 102 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2yug h ARG 102 CO 0.01 0.13 0.00 0.93 -1.07 0.00 0.00 179.97 179.97 2yug h GLU 103 N 0.00 0.00 -7.06 0.04 3.07 -1.66 -2.71 114.58 106.27 2yug h GLU 103 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2yug h GLU 103 Cb 0.24 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.23 2yug h GLU 103 CO 0.02 0.00 0.47 -0.65 -1.40 0.00 0.00 179.01 177.45 2yug s GLN 104 N -3.27 3.37 0.39 2.33 -0.21 -0.51 -4.41 119.66 117.35 2yug s GLN 104 Ca 0.06 1.76 0.06 0.00 0.02 0.00 0.00 55.36 57.26 2yug s GLN 104 Cb 0.06 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.92 2yug s GLN 104 CO 0.65 -0.87 0.20 0.91 -2.12 0.00 0.00 175.29 174.07 2yug n TRP 105 N -1.10 -0.22 -3.25 0.91 7.02 -1.11 -3.37 117.44 116.31 2yug n TRP 105 Ca 0.11 -2.78 -0.05 0.00 -1.02 0.00 0.00 57.50 53.76 2yug n TRP 105 Cb 0.49 0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 29.46 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 -3.53 0.69 -0.18 -0.99 2.12 0.10 -3.30 118.70 113.62 2yug s GLU 106 Ca 0.29 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 2yug s GLU 106 Cb 0.01 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 2yug s GLU 106 CO 0.20 -1.15 1.61 -1.25 -0.54 0.00 0.00 175.26 174.13 2yug s PRO 107 N 1.95 3.91 0.01 4.30 0.04 -1.26 -2.61 135.00 141.34 2yug s PRO 107 Ca 0.15 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2yug s PRO 107 Cb -0.09 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 2yug s PRO 107 CO -0.11 -1.16 -0.03 0.08 0.04 0.00 0.00 177.00 175.82 2yug s VAL 108 N 4.84 3.94 -0.11 -0.36 1.01 -0.80 -4.95 120.40 123.98 2yug s VAL 108 Ca 0.71 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2yug s VAL 108 Cb -0.27 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2yug s VAL 108 CO 0.28 0.35 -0.23 -0.36 0.00 0.00 0.00 175.10 175.14 2yug s PHE 109 N -1.08 2.59 -0.20 5.22 0.40 -1.26 -1.31 117.98 122.34 2yug s PHE 109 Ca 0.19 -1.09 -0.00 0.00 -0.60 0.00 0.00 56.93 55.42 2yug s PHE 109 Cb -0.11 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.74 2yug s PHE 109 CO 0.10 -0.45 -0.04 -1.14 0.70 0.00 0.00 175.22 174.39 2yug s GLN 110 N 0.43 1.36 -1.52 0.44 2.00 -0.98 -4.77 119.66 116.62 2yug s GLN 110 Ca -0.17 -0.67 -0.06 0.00 -2.00 0.00 0.00 55.36 52.46 2yug s GLN 110 Cb -0.18 -2.24 0.01 0.00 0.80 0.00 0.00 33.01 31.40 2yug s GLN 110 CO 0.07 -0.53 0.73 -0.25 -0.50 0.00 0.00 175.29 174.81 2yug n ASP 111 N 4.83 -6.13 0.00 6.67 8.00 -1.26 -1.72 116.55 126.94 2yug n ASP 111 Ca -0.11 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2yug n ASP 111 Cb 0.46 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.62 2.86 3.39 0.44 0.00 -1.26 -5.04 105.19 103.96 2yug n GLY 112 Ca -0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.45 -0.01 1.61 -0.14 -0.70 -5.01 119.74 113.04 2yug s LYS 113 Ca 0.00 0.06 -0.22 0.00 -1.36 0.00 0.00 55.97 54.45 2yug s LYS 113 Cb 0.00 -1.44 0.04 0.00 -1.68 0.00 0.00 37.83 34.75 2yug s LYS 113 CO 0.00 -4.54 0.48 0.00 -0.76 0.00 0.00 175.35 170.52 2yug s MET 114 N -5.19 0.89 -0.14 1.68 0.23 -1.26 -2.32 119.30 113.19 2yug s MET 114 Ca 0.70 -0.07 -0.19 0.00 -1.03 0.00 0.00 55.69 55.10 2yug s MET 114 Cb -0.12 0.41 0.05 0.00 -1.53 0.00 0.00 34.83 33.63 2yug s MET 114 CO 0.57 -0.28 0.49 0.00 -2.03 0.00 0.00 175.02 173.77 2yug s ALA 115 N -1.61 -1.22 -0.38 3.16 0.00 -0.43 -3.07 121.76 118.21 2yug s ALA 115 Ca -0.10 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 2yug s ALA 115 Cb -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2yug s ALA 115 CO 0.04 -0.26 0.88 -1.17 0.00 0.00 0.00 175.76 175.26 2yug s LEU 116 N -0.20 4.04 -0.17 0.00 2.96 -1.26 -1.90 118.68 122.14 2yug s LEU 116 Ca -0.04 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 2yug s LEU 116 Cb -0.03 -3.18 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 2yug s LEU 116 CO 0.02 -0.85 0.21 -0.22 -1.32 0.00 0.00 176.35 174.20 2yug s LEU 117 N 3.40 4.24 0.74 -0.68 2.96 -1.07 -2.28 118.68 125.98 2yug s LEU 117 Ca 0.36 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 2yug s LEU 117 Cb -0.12 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 44.40 2yug s LEU 117 CO 0.19 0.16 1.08 0.00 -1.32 0.00 0.00 176.35 176.46 2yug s ALA 118 N 0.31 2.95 -0.85 5.97 0.00 -0.63 -0.72 121.76 128.79 2yug s ALA 118 Ca 0.13 -0.77 0.16 0.00 0.00 0.00 0.00 51.96 51.47 2yug s ALA 118 Cb -0.12 -2.76 0.67 0.00 0.00 0.00 0.00 23.12 20.91 2yug s ALA 118 CO 0.01 -1.41 1.49 0.45 0.00 0.00 0.00 175.76 176.30 2yug n SER 119 N -3.06 0.18 -1.63 0.00 2.88 -1.22 -2.26 113.62 108.52 2yug n SER 119 Ca 0.08 0.55 -0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2yug n SER 119 Cb 0.60 -0.58 0.26 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.70 4.30 -3.33 -3.46 5.15 -1.26 -4.89 115.26 110.06 2yug n ASN 120 Ca 0.03 -2.81 -0.24 0.00 -0.60 0.00 0.00 54.58 50.95 2yug n ASN 120 Cb 0.17 -0.67 0.02 0.00 -0.53 0.00 0.00 39.78 38.77 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 0.18 -5.14 -3.80 1.20 7.64 -0.96 -4.97 113.62 107.78 2yug n SER 121 Ca 0.26 -0.42 -0.16 0.00 1.01 0.00 0.00 58.87 59.56 2yug n SER 121 Cb 1.06 -4.16 -0.16 0.00 -1.01 0.00 0.00 64.21 59.94 2yug n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yug s PHE 123 N 1.02 2.51 0.57 0.00 0.40 -1.08 -1.61 117.98 119.81 2yug s PHE 123 Ca -0.10 1.57 -0.15 0.00 -0.60 0.00 0.00 56.93 57.66 2yug s PHE 123 Cb -0.13 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 2yug s PHE 123 CO -0.02 -1.86 1.02 0.96 0.70 0.00 0.00 175.22 176.02 2yug s ILE 124 N -2.77 4.26 -0.20 0.64 -4.36 -0.96 0.33 121.20 118.12 2yug s ILE 124 Ca 0.63 0.99 -0.22 0.00 -0.26 0.00 0.00 60.65 61.79 2yug s ILE 124 Cb -0.18 -3.59 0.06 0.00 1.25 0.00 0.00 42.46 40.00 2yug s ILE 124 CO 0.53 -0.70 0.61 -0.60 0.24 0.00 0.00 174.94 175.03 2yug s ARG 125 N -4.31 0.76 -0.27 0.37 3.00 -0.32 -4.58 118.95 113.59 2yug s ARG 125 Ca 0.60 0.75 -0.08 0.00 -1.00 0.00 0.00 55.73 56.00 2yug s ARG 125 Cb -0.13 0.37 -0.02 0.00 0.00 0.00 0.00 34.95 35.17 2yug s ARG 125 CO 0.39 -0.12 0.10 0.00 0.00 0.00 0.00 175.30 175.67 2yug s ASN 127 N 1.63 4.34 0.06 0.00 0.01 -1.20 -5.00 114.94 114.78 2yug s ASN 127 Ca 0.06 0.92 -0.13 0.00 -0.71 0.00 0.00 52.86 53.00 2yug s ASN 127 Cb -0.16 -1.50 -0.29 0.00 0.41 0.00 0.00 41.25 39.72 2yug s ASN 127 CO 0.05 -2.02 1.11 -0.33 -1.51 0.00 0.00 177.10 174.40 2yug h GLU 128 N -1.13 0.57 -0.03 -0.60 5.08 -1.99 -3.26 114.58 113.22 2yug h GLU 128 Ca -0.47 -0.79 -0.05 0.00 -1.00 0.00 0.00 59.36 57.05 2yug h GLU 128 Cb 1.32 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2yug h GLU 128 CO 0.64 1.36 -0.23 0.00 -1.00 0.00 0.00 179.01 179.78 2yug h ALA 129 N 0.33 1.58 0.00 3.43 0.00 -2.03 -3.46 119.26 119.11 2yug h ALA 129 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2yug h ALA 129 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2yug h ALA 129 CO 0.24 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2yug n GLY 130 N -0.84 1.58 2.92 0.00 0.00 -1.23 -5.00 105.19 102.61 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 -2.00 4.47 -0.38 1.61 1.01 -1.26 -4.01 116.67 116.12 2yug s ASP 131 Ca 0.00 -1.93 -0.28 0.00 0.71 0.00 0.00 52.55 51.05 2yug s ASP 131 Cb 0.00 -1.34 -0.01 0.00 1.01 0.00 0.00 42.92 42.57 2yug s ASP 131 CO 0.00 -0.38 1.71 -0.63 0.21 0.00 0.00 175.17 176.07 2yug s ILE 132 N 1.17 3.57 0.19 0.77 -1.09 -1.20 -3.27 121.20 121.34 2yug s ILE 132 Ca 0.10 0.56 0.11 0.00 -2.23 0.00 0.00 60.65 59.19 2yug s ILE 132 Cb -0.18 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 2yug s ILE 132 CO -0.14 -0.56 -0.23 -1.83 -1.23 0.00 0.00 174.94 170.95 2yug s GLU 133 N 5.62 1.49 -0.45 2.79 -1.05 -0.35 -1.53 118.70 125.22 2yug s GLU 133 Ca 0.74 -1.52 -0.27 0.00 -0.15 0.00 0.00 54.97 53.77 2yug s GLU 133 Cb -0.19 -1.77 0.03 0.00 -0.44 0.00 0.00 34.13 31.76 2yug s GLU 133 CO 0.32 0.38 0.99 0.00 0.95 0.00 0.00 175.26 177.89 2yug s ALA 134 N -1.75 3.25 1.04 -0.84 0.00 -1.26 -1.18 121.76 121.01 2yug s ALA 134 Ca 0.20 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 2yug s ALA 134 Cb -0.07 -3.69 0.21 0.00 0.00 0.00 0.00 23.12 19.56 2yug s ALA 134 CO 0.10 -2.03 1.15 0.21 0.00 0.00 0.00 175.76 175.19 2yug s LYS 135 N 3.90 0.11 1.40 0.00 2.47 0.15 -4.79 119.74 122.98 2yug s LYS 135 Ca 0.40 0.07 -0.21 0.00 -1.56 0.00 0.00 55.97 54.67 2yug s LYS 135 Cb -0.10 -1.74 0.36 0.00 -1.46 0.00 0.00 37.83 34.90 2yug s LYS 135 CO 0.26 -2.85 0.93 1.21 0.16 0.00 0.00 175.35 175.06 2yug s ASN 136 N -4.05 -0.93 0.45 1.43 2.47 -1.26 -2.63 114.94 110.43 2yug s ASN 136 Ca 0.68 1.03 0.16 0.00 0.42 0.00 0.00 52.86 55.15 2yug s ASN 136 Cb -0.12 -1.51 1.03 0.00 -1.45 0.00 0.00 41.25 39.21 2yug s ASN 136 CO 0.55 -5.31 1.99 0.11 -3.72 0.00 0.00 177.10 170.73 2yug h LYS 137 N -3.38 0.00 -5.58 0.43 1.57 -1.96 -3.32 116.57 104.34 2yug h LYS 137 Ca -0.48 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.83 2yug h LYS 137 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 2yug h LYS 137 CO 0.33 0.18 1.64 0.25 -0.57 0.00 0.00 179.45 181.28 2yug n THR 138 N -4.25 -0.05 -2.15 -0.16 -2.24 -1.26 -4.85 114.28 99.32 2yug n THR 138 Ca -0.02 -0.69 -0.40 0.00 -2.27 0.00 0.00 64.05 60.66 2yug n THR 138 Cb 0.25 -2.54 -0.03 0.00 -2.10 0.00 0.00 70.33 65.91 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 11.62 2.44 0.84 6.98 0.00 -1.26 -4.98 121.76 137.40 2yug s ALA 139 Ca 1.02 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2yug s ALA 139 Cb -0.31 -4.22 0.18 0.00 0.00 0.00 0.00 23.12 18.77 2yug s ALA 139 CO 0.29 -3.48 1.15 0.20 0.00 0.00 0.00 175.76 173.92 2yug s GLY 140 N 6.74 1.77 0.22 0.00 0.00 -1.26 -4.93 107.32 109.86 2yug s GLY 140 Ca 0.63 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2yug s GLY 140 CO 0.23 -0.98 1.76 0.83 0.00 0.00 0.00 173.10 174.93 2yug h GLU 141 N -1.04 1.09 -0.23 2.90 5.08 -1.96 -2.52 114.58 117.90 2yug h GLU 141 Ca -0.38 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 57.59 2yug h GLU 141 Cb 1.24 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2yug h GLU 141 CO 0.35 0.94 -0.53 0.93 -1.00 0.00 0.00 179.01 179.70 2yug h GLU 142 N 1.05 0.65 0.00 2.33 4.39 -1.94 -2.94 114.58 118.12 2yug h GLU 142 Ca 0.23 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2yug h GLU 142 Cb 0.31 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2yug h GLU 142 CO -0.01 1.02 -0.12 0.93 -1.16 0.00 0.00 179.01 179.67 2yug h GLU 143 N 0.51 0.00 -6.67 2.33 3.07 -1.78 -3.43 114.58 108.61 2yug h GLU 143 Ca 0.02 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.31 2yug h GLU 143 Cb 1.08 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.08 2yug h GLU 143 CO 0.11 0.12 0.69 -1.33 -1.40 0.00 0.00 179.01 177.19 2yug n MET 144 N -3.95 2.26 -4.40 2.33 2.81 -0.97 -4.82 117.12 110.38 2yug n MET 144 Ca -0.02 0.80 -0.23 0.00 -1.81 0.00 0.00 57.70 56.44 2yug n MET 144 Cb 0.21 -2.49 -0.08 0.00 -0.71 0.00 0.00 33.22 30.15 2yug n MET 144 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2yug n ILE 145 N 1.78 0.00 -3.40 2.02 -5.35 -1.18 -4.57 119.36 108.67 2yug n ILE 145 Ca 0.10 -2.50 -0.22 0.00 -0.27 0.00 0.00 62.75 59.86 2yug n ILE 145 Cb 0.34 1.07 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 2yug n ILE 145 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yug s LYS 146 N -3.51 0.61 -0.40 6.28 1.02 -1.15 -4.39 119.74 118.21 2yug s LYS 146 Ca 0.31 -1.09 -0.28 0.00 0.02 0.00 0.00 55.97 54.94 2yug s LYS 146 Cb 0.02 -0.97 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 2yug s LYS 146 CO 0.22 -1.21 1.92 0.42 -0.92 0.00 0.00 175.35 175.79 2yug s ILE 147 N 1.24 3.35 0.77 2.17 1.01 -1.26 -4.06 121.20 124.43 2yug s ILE 147 Ca 0.18 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 2yug s ILE 147 Cb -0.18 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.82 2yug s ILE 147 CO -0.01 -0.44 1.09 -0.13 0.00 0.00 0.00 174.94 175.45 2yug s ARG 148 N 6.32 1.69 -0.17 2.79 0.52 0.16 -3.34 118.95 126.92 2yug s ARG 148 Ca 0.81 -0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.44 2yug s ARG 148 Cb -0.21 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.20 2yug s ARG 148 CO 0.30 -1.59 0.41 0.45 0.02 0.00 0.00 175.30 174.90 2yug s SER 149 N -4.66 -0.51 -0.41 0.23 0.15 -0.07 -2.86 113.70 105.57 2yug s SER 149 Ca 0.65 0.89 0.05 0.00 0.70 0.00 0.00 55.95 58.24 2yug s SER 149 Cb -0.08 0.79 0.58 0.00 -1.71 0.00 0.00 66.02 65.60 2yug s SER 149 CO 0.47 -0.18 1.73 0.00 1.20 0.00 0.00 173.24 176.46 2yug s ALA 151 N -3.36 3.83 0.11 0.00 0.00 -1.26 -4.99 121.76 116.08 2yug s ALA 151 Ca 0.53 -1.49 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 2yug s ALA 151 Cb 0.45 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.45 2yug s ALA 151 CO 0.05 -1.04 1.28 -2.00 0.00 0.00 0.00 175.76 174.06 2yug s GLU 152 N -4.92 4.39 0.56 0.00 2.12 -1.26 -4.95 118.70 114.64 2yug s GLU 152 Ca 0.61 1.92 -0.14 0.00 0.36 0.00 0.00 54.97 57.72 2yug s GLU 152 Cb -0.08 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 2yug s GLU 152 CO 0.41 -0.31 1.01 1.03 -0.54 0.00 0.00 175.26 176.86 2yug s ARG 153 N 0.84 3.78 -0.89 4.30 0.52 -1.26 -5.02 118.95 121.22 2yug s ARG 153 Ca 0.60 0.89 -0.07 0.00 -0.52 0.00 0.00 55.73 56.64 2yug s ARG 153 Cb -0.33 -2.11 0.22 0.00 0.52 0.00 0.00 34.95 33.25 2yug s ARG 153 CO 0.31 -0.42 0.80 -1.21 0.02 0.00 0.00 175.30 174.81 2yug s GLU 154 N -4.49 3.47 0.00 3.54 2.02 -1.26 -5.31 118.70 116.66 2yug s GLU 154 Ca 0.58 -2.95 0.00 0.00 0.02 0.00 0.00 54.97 52.62 2yug s GLU 154 Cb -0.11 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 29.94 2yug s GLU 154 CO 0.40 -1.25 0.00 2.41 0.02 0.00 0.00 175.26 176.84