#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dug h GLU 5 N 0.00 0.17 -0.30 1.61 5.08 -1.93 0.24 114.58 119.45 2dug h GLU 5 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2dug h GLU 5 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2dug h GLU 5 CO 0.00 0.11 0.20 0.93 -1.00 0.00 0.00 179.01 179.26 2dug h GLU 6 N 0.18 0.22 0.00 2.33 4.39 -2.00 0.55 114.58 120.24 2dug h GLU 6 Ca 0.56 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2dug h GLU 6 Cb 1.15 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2dug h GLU 6 CO -0.69 0.14 0.00 1.28 -1.16 0.00 0.00 179.01 178.59 2dug n LEU 7 N -4.49 0.19 -0.50 1.33 4.77 0.83 -3.01 117.00 116.13 2dug n LEU 7 Ca 0.03 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 2dug n LEU 7 Cb 0.21 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2dug n LEU 7 CO 0.35 -0.32 0.48 0.49 -1.33 0.00 0.00 177.39 177.05 2dug n PHE 8 N -1.71 0.11 0.31 -1.77 3.72 0.18 -4.67 117.46 113.63 2dug n PHE 8 Ca 0.03 -0.12 0.16 0.00 -0.05 0.00 0.00 57.45 57.48 2dug n PHE 8 Cb 0.20 -0.01 0.74 0.00 -0.94 0.00 0.00 39.48 39.47 2dug n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2dug h THR 9 N 2.20 0.00 -3.04 4.37 1.35 -1.48 -3.38 112.91 112.94 2dug h THR 9 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2dug h THR 9 Cb 0.54 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2dug h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2dug n GLY 10 N -0.41 7.30 3.70 5.82 0.00 -1.26 -4.80 105.19 115.55 2dug n GLY 10 Ca -0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 2dug n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dug s VAL 11 N 0.66 4.95 -0.13 1.61 1.01 -1.26 -4.46 120.40 122.80 2dug s VAL 11 Ca 0.00 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.66 2dug s VAL 11 Cb 0.00 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2dug s VAL 11 CO 0.00 0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 2dug s VAL 12 N 1.23 2.44 0.47 2.92 1.01 -0.22 -4.97 120.40 123.28 2dug s VAL 12 Ca 0.42 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2dug s VAL 12 Cb -0.18 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 2dug s VAL 12 CO 0.19 0.54 1.26 -2.84 0.00 0.00 0.00 175.10 174.25 2dug s PRO 13 N 0.53 3.63 0.02 2.72 0.02 -1.26 -0.90 135.00 139.75 2dug s PRO 13 Ca -0.12 2.03 0.06 0.00 0.02 0.00 0.00 61.00 62.99 2dug s PRO 13 Cb -0.16 -2.46 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 2dug s PRO 13 CO 0.04 -0.73 -0.18 0.42 -0.33 0.00 0.00 177.00 176.22 2dug s ILE 14 N -1.39 1.41 -0.06 2.83 1.01 0.10 -1.15 121.20 123.95 2dug s ILE 14 Ca 0.64 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2dug s ILE 14 Cb -0.35 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2dug s ILE 14 CO 0.43 0.25 -0.09 -0.22 0.00 0.00 0.00 174.94 175.31 2dug s LEU 15 N -0.80 1.49 -0.06 2.97 2.96 -0.13 -1.97 118.68 123.15 2dug s LEU 15 Ca 0.06 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2dug s LEU 15 Cb -0.08 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 2dug s LEU 15 CO 0.00 -0.01 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 2dug s VAL 16 N 0.87 1.73 -0.05 1.68 1.01 -0.51 -1.28 120.40 123.86 2dug s VAL 16 Ca -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2dug s VAL 16 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2dug s VAL 16 CO 0.01 0.49 -0.02 -1.61 0.00 0.00 0.00 175.10 173.97 2dug s GLU 17 N 0.04 0.64 -0.04 2.72 0.41 -0.65 -0.60 118.70 121.21 2dug s GLU 17 Ca -0.06 -0.00 0.04 0.00 -0.41 0.00 0.00 54.97 54.53 2dug s GLU 17 Cb -0.14 -0.79 -0.00 0.00 -1.78 0.00 0.00 34.13 31.43 2dug s GLU 17 CO 0.04 -0.16 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.33 2dug s LEU 18 N 1.23 1.87 -0.17 1.80 0.20 -0.24 -0.54 118.68 122.84 2dug s LEU 18 Ca -0.06 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 2dug s LEU 18 Cb -0.14 -0.90 -0.00 0.00 -0.43 0.00 0.00 46.19 44.72 2dug s LEU 18 CO -0.02 0.13 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.23 2dug s ASP 19 N 0.12 3.84 0.16 3.68 -0.00 -0.57 -1.75 116.67 122.16 2dug s ASP 19 Ca -0.05 -0.43 0.06 0.00 -0.00 0.00 0.00 52.55 52.13 2dug s ASP 19 Cb -0.12 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.92 41.15 2dug s ASP 19 CO 0.02 0.07 -0.13 -0.83 -0.00 0.00 0.00 175.17 174.30 2dug s GLY 20 N 0.90 1.21 -0.21 0.21 0.00 -0.03 -1.22 107.32 108.19 2dug s GLY 20 Ca -0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 2dug s GLY 20 CO -0.01 -1.59 0.31 -0.35 0.00 0.00 0.00 173.10 171.47 2dug s ASP 21 N -3.02 0.58 -0.23 1.64 -1.08 -0.74 -1.04 116.67 112.77 2dug s ASP 21 Ca 0.17 0.21 0.01 0.00 -0.52 0.00 0.00 52.55 52.42 2dug s ASP 21 Cb -0.01 0.83 0.03 0.00 -1.46 0.00 0.00 42.92 42.32 2dug s ASP 21 CO 0.04 -0.29 -0.13 -0.69 0.52 0.00 0.00 175.17 174.62 2dug s VAL 22 N 2.46 2.39 -1.34 1.11 1.01 0.01 -0.16 120.40 125.88 2dug s VAL 22 Ca 0.08 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2dug s VAL 22 Cb -0.15 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.12 2dug s VAL 22 CO -0.13 0.27 0.54 0.59 0.00 0.00 0.00 175.10 176.37 2dug n ASN 23 N 4.59 -3.95 0.00 3.32 4.13 0.12 -0.41 115.26 123.05 2dug n ASN 23 Ca -0.17 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.65 2dug n ASN 23 Cb 0.47 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.45 2dug n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dug n GLY 24 N -1.24 1.91 3.57 7.41 0.00 -1.26 -4.99 105.19 110.58 2dug n GLY 24 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2dug n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dug s HIS 25 N -3.07 2.84 0.13 1.61 3.76 0.45 -5.02 115.29 115.99 2dug s HIS 25 Ca 0.00 0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 55.11 2dug s HIS 25 Cb 0.00 -4.14 -0.07 0.00 1.11 0.00 0.00 32.58 29.48 2dug s HIS 25 CO 0.00 -1.23 0.60 0.15 -0.85 0.00 0.00 174.74 173.41 2dug s LYS 26 N 4.06 4.15 0.16 1.40 1.02 -1.26 -0.81 119.74 128.45 2dug s LYS 26 Ca 0.39 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 56.85 2dug s LYS 26 Cb -0.10 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2dug s LYS 26 CO 0.26 0.54 0.56 -0.59 -0.92 0.00 0.00 175.35 175.20 2dug s PHE 27 N -1.31 -0.46 0.07 3.18 -0.71 -0.21 -4.97 117.98 113.57 2dug s PHE 27 Ca 0.35 0.22 0.04 0.00 -1.04 0.00 0.00 56.93 56.49 2dug s PHE 27 Cb -0.18 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2dug s PHE 27 CO 0.20 -0.83 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.01 2dug s SER 28 N -2.77 1.38 -0.01 1.98 0.01 -1.26 -0.85 113.70 112.19 2dug s SER 28 Ca 0.02 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2dug s SER 28 Cb -0.01 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2dug s SER 28 CO -0.12 -0.16 -0.01 -0.69 0.41 0.00 0.00 173.24 172.67 2dug s VAL 29 N -1.63 0.12 -0.04 3.43 1.01 -0.72 -1.00 120.40 121.57 2dug s VAL 29 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2dug s VAL 29 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2dug s VAL 29 CO 0.01 0.05 -0.21 -0.94 0.00 0.00 0.00 175.10 174.01 2dug s SER 30 N 0.15 3.47 0.06 3.32 1.04 -0.59 -1.08 113.70 120.07 2dug s SER 30 Ca -0.01 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2dug s SER 30 Cb -0.03 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.36 2dug s SER 30 CO -0.00 0.31 -0.08 -0.83 0.98 0.00 0.00 173.24 173.61 2dug s GLY 31 N -0.51 0.61 0.04 7.32 0.00 0.23 -0.37 107.32 114.65 2dug s GLY 31 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 2dug s GLY 31 CO 0.01 -0.96 0.12 -0.54 0.00 0.00 0.00 173.10 171.72 2dug s GLU 32 N -2.00 0.63 0.00 2.90 2.02 -0.52 -1.42 118.70 120.31 2dug s GLU 32 Ca -0.05 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2dug s GLU 32 Cb -0.07 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2dug s GLU 32 CO -0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2dug n GLY 33 N 0.66 -0.75 3.29 -1.39 0.00 -0.83 -1.47 105.19 104.70 2dug n GLY 33 Ca -0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2dug n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dug s GLU 34 N -0.87 0.94 0.06 1.61 -1.05 -0.35 -0.72 118.70 118.33 2dug s GLU 34 Ca 0.00 -0.60 0.08 0.00 -0.15 0.00 0.00 54.97 54.30 2dug s GLU 34 Cb 0.00 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2dug s GLU 34 CO 0.00 -0.33 -0.22 0.20 0.95 0.00 0.00 175.26 175.85 2dug s GLY 35 N -2.43 1.23 -0.41 -3.83 0.00 -0.08 -1.33 107.32 100.48 2dug s GLY 35 Ca -0.01 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.56 2dug s GLY 35 CO -0.07 -1.10 0.26 -0.35 0.00 0.00 0.00 173.10 171.83 2dug s ASP 36 N -1.39 3.12 0.57 1.64 -1.08 0.38 -1.06 116.67 118.85 2dug s ASP 36 Ca 0.09 -2.58 0.26 0.00 -0.52 0.00 0.00 52.55 49.80 2dug s ASP 36 Cb -0.09 -0.73 1.66 0.00 -1.46 0.00 0.00 42.92 42.30 2dug s ASP 36 CO 0.03 -0.26 2.21 0.00 0.52 0.00 0.00 175.17 177.67 2dug h ALA 37 N 6.61 1.60 -0.41 3.66 0.00 -1.74 -1.35 119.26 127.63 2dug h ALA 37 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2dug h ALA 37 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2dug h ALA 37 CO 0.39 0.02 0.28 1.15 0.00 0.00 0.00 179.25 181.10 2dug h THR 38 N 0.00 0.91 -0.25 0.00 2.02 -1.87 -1.91 112.91 111.81 2dug h THR 38 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2dug h THR 38 Cb 0.04 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2dug h THR 38 CO 0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 2dug n TYR 39 N -4.47 0.32 -2.15 3.16 4.01 -0.56 -4.94 117.16 112.54 2dug n TYR 39 Ca 0.06 -0.30 -0.18 0.00 -0.16 0.00 0.00 57.90 57.32 2dug n TYR 39 Cb 0.32 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.31 2dug n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dug n GLY 40 N 0.69 0.13 3.70 2.72 0.00 -0.72 -4.74 105.19 106.97 2dug n GLY 40 Ca 0.11 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2dug n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dug s LYS 41 N -4.58 3.25 0.00 1.61 2.20 -0.93 -0.52 119.74 120.77 2dug s LYS 41 Ca 0.00 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2dug s LYS 41 Cb 0.00 -2.93 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2dug s LYS 41 CO 0.00 0.63 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.01 2dug s LEU 42 N -0.66 2.05 -0.08 5.43 1.43 -0.30 -0.47 118.68 126.09 2dug s LEU 42 Ca 0.11 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2dug s LEU 42 Cb -0.12 -0.50 0.03 0.00 0.03 0.00 0.00 46.19 45.63 2dug s LEU 42 CO 0.02 0.09 -0.00 0.42 0.23 0.00 0.00 176.35 177.11 2dug s THR 43 N -0.38 0.45 0.02 5.49 -4.23 -0.44 -1.13 115.64 115.42 2dug s THR 43 Ca 0.03 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2dug s THR 43 Cb -0.05 -0.61 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 2dug s THR 43 CO -0.00 0.25 0.00 -0.76 -0.54 0.00 0.00 174.62 173.57 2dug s LEU 44 N 1.94 2.14 -0.08 4.79 1.43 -0.08 -1.21 118.68 127.61 2dug s LEU 44 Ca 0.05 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2dug s LEU 44 Cb -0.12 0.22 -0.00 0.00 0.03 0.00 0.00 46.19 46.31 2dug s LEU 44 CO -0.06 -0.35 -0.24 -0.75 0.23 0.00 0.00 176.35 175.19 2dug s LYS 45 N -1.75 2.75 -0.02 1.70 2.20 -0.54 -0.39 119.74 123.69 2dug s LYS 45 Ca -0.13 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 54.68 2dug s LYS 45 Cb -0.07 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2dug s LYS 45 CO -0.02 0.25 -0.17 -0.06 -0.36 0.00 0.00 175.35 175.00 2dug s PHE 46 N 0.16 2.62 -0.06 4.03 0.40 0.16 -1.44 117.98 123.83 2dug s PHE 46 Ca -0.13 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2dug s PHE 46 Cb -0.16 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.81 2dug s PHE 46 CO 0.07 0.18 -0.16 0.42 0.70 0.00 0.00 175.22 176.43 2dug s ILE 47 N -0.78 1.42 -0.47 0.64 -1.09 0.51 -1.16 121.20 120.25 2dug s ILE 47 Ca 0.12 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.60 2dug s ILE 47 Cb -0.10 -1.25 0.03 0.00 -1.58 0.00 0.00 42.46 39.56 2dug s ILE 47 CO 0.02 0.41 1.04 0.00 -1.23 0.00 0.00 174.94 175.19 2dug n THR 49 N 6.66 0.00 -0.79 0.00 -2.24 -0.17 -3.54 114.28 114.20 2dug n THR 49 Ca 0.09 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2dug n THR 49 Cb 0.49 -0.08 0.33 0.00 -2.10 0.00 0.00 70.33 68.97 2dug n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dug n THR 50 N -1.11 2.21 0.00 4.28 -2.24 -1.25 -4.99 114.28 111.19 2dug n THR 50 Ca 0.12 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2dug n THR 50 Cb 0.30 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2dug n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dug n GLY 51 N 0.43 0.50 3.75 3.38 0.00 -1.23 -4.96 105.19 107.06 2dug n GLY 51 Ca 0.24 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 2dug n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dug s LYS 52 N 0.00 4.53 0.12 1.61 0.00 -1.26 -4.38 119.74 120.36 2dug s LYS 52 Ca 0.00 1.13 -0.30 0.00 0.00 0.00 0.00 55.97 56.79 2dug s LYS 52 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 37.83 34.41 2dug s LYS 52 CO 0.00 0.32 1.18 -1.17 0.00 0.00 0.00 175.35 175.68 2dug s LEU 53 N -0.21 4.42 0.00 2.77 2.96 -1.26 -4.90 118.68 122.46 2dug s LEU 53 Ca 0.39 2.10 0.30 0.00 -0.22 0.00 0.00 54.13 56.70 2dug s LEU 53 Cb -0.21 -3.59 1.45 0.00 0.50 0.00 0.00 46.19 44.33 2dug s LEU 53 CO 0.24 -0.39 1.98 -0.81 -1.32 0.00 0.00 176.35 176.05 2dug n PRO 54 N 3.18 0.96 -4.37 0.98 -0.04 -1.26 -4.81 135.00 129.63 2dug n PRO 54 Ca 0.06 -0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.06 2dug n PRO 54 Cb 0.46 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 2dug n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2dug s VAL 55 N -2.23 1.41 0.28 0.52 -7.23 -1.26 -4.60 120.40 107.29 2dug s VAL 55 Ca 0.37 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2dug s VAL 55 Cb 0.21 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 2dug s VAL 55 CO 0.41 -0.37 1.28 -2.84 -0.31 0.00 0.00 175.10 173.27 2dug s PRO 56 N -3.77 4.41 0.28 4.82 0.02 -1.26 -4.92 135.00 134.59 2dug s PRO 56 Ca 0.28 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.42 2dug s PRO 56 Cb 0.04 -3.13 0.57 0.00 0.02 0.00 0.00 34.50 32.00 2dug s PRO 56 CO 0.10 -0.15 1.83 -1.49 -0.33 0.00 0.00 177.00 176.96 2dug h TRP 57 N 4.07 1.14 0.00 6.54 4.06 -1.95 -0.47 115.95 129.34 2dug h TRP 57 Ca -0.47 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.50 2dug h TRP 57 Cb 1.22 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 29.02 2dug h TRP 57 CO 0.58 0.44 -0.03 -1.35 -3.56 0.00 0.00 178.44 174.52 2dug h PRO 58 N 0.98 0.00 0.00 0.49 0.11 -1.89 -0.58 132.00 131.12 2dug h PRO 58 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2dug h PRO 58 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2dug h PRO 58 CO -0.27 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 177.80 2dug n THR 59 N -3.49 0.90 0.84 -1.15 -2.24 -0.18 -2.71 114.28 106.25 2dug n THR 59 Ca -0.02 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 2dug n THR 59 Cb 0.14 -1.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.29 2dug n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dug n LEU 60 N -1.94 2.13 -0.09 3.22 4.77 -0.23 -4.66 117.00 120.20 2dug n LEU 60 Ca 0.03 -0.85 -0.06 0.00 -0.03 0.00 0.00 56.01 55.10 2dug n LEU 60 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2dug n LEU 60 CO 0.17 0.38 0.84 0.58 -1.33 0.00 0.00 177.39 178.04 2dug h VAL 61 N 2.77 0.74 -0.18 4.08 2.07 -1.54 -1.31 116.25 122.87 2dug h VAL 61 Ca 0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2dug h VAL 61 Cb 0.71 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2dug h VAL 61 CO 0.00 0.01 -0.02 0.71 0.02 0.00 0.00 177.57 178.30 2dug h THR 62 N 0.07 1.13 -0.20 2.57 1.35 -1.83 -2.10 112.91 113.90 2dug h THR 62 Ca 0.16 -0.51 -0.19 0.00 -0.55 0.00 0.00 66.41 65.33 2dug h THR 62 Cb 0.22 1.02 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2dug h THR 62 CO -0.28 0.17 -0.60 0.74 -0.25 0.00 0.00 175.52 175.29 2dug h THR 63 N 0.26 1.30 0.00 6.82 2.02 -1.70 -3.46 112.91 118.14 2dug h THR 63 Ca 0.06 -1.81 -0.18 0.00 0.77 0.00 0.00 66.41 65.25 2dug h THR 63 Cb 0.21 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2dug h THR 63 CO 0.01 0.57 1.08 0.49 0.37 0.00 0.00 175.52 178.04 2dug n PHE 64 N -4.06 0.48 0.00 3.16 3.72 -0.55 -5.02 117.46 115.19 2dug n PHE 64 Ca -0.06 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 2dug n PHE 64 Cb 0.65 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 2dug n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2dug n VAL 68 N 3.50 0.00 0.02 -4.37 0.24 -1.26 -5.00 118.33 111.45 2dug n VAL 68 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2dug n VAL 68 Cb 0.27 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.65 2dug n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dug n GLN 69 N 0.00 0.00 0.06 7.34 6.02 -1.26 -1.12 117.38 128.42 2dug n GLN 69 Ca 0.00 0.43 0.09 0.00 -0.01 0.00 0.00 57.00 57.51 2dug n GLN 69 Cb 0.00 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.15 2dug n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dug n PHE 71 N -1.84 0.17 -2.02 0.00 3.72 -0.28 -4.74 117.46 112.47 2dug n PHE 71 Ca 0.03 -0.08 -0.36 0.00 -0.05 0.00 0.00 57.45 56.98 2dug n PHE 71 Cb 0.20 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2dug n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2dug s SER 72 N -1.69 5.23 -0.37 4.37 0.01 -0.44 -4.15 113.70 116.65 2dug s SER 72 Ca 0.34 2.40 -0.20 0.00 1.31 0.00 0.00 55.95 59.80 2dug s SER 72 Cb 0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2dug s SER 72 CO 0.29 -1.57 0.61 -0.60 0.41 0.00 0.00 173.24 172.38 2dug s ARG 73 N -3.30 3.60 -0.26 12.44 3.52 -0.31 -4.78 118.95 129.87 2dug s ARG 73 Ca 0.77 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 56.19 2dug s ARG 73 Cb -0.31 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 2dug s ARG 73 CO 0.33 -0.76 0.23 0.71 -0.81 0.00 0.00 175.30 175.01 2dug s TYR 74 N 2.65 3.26 0.73 5.12 1.51 -1.26 -0.84 117.35 128.52 2dug s TYR 74 Ca 0.23 0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 2dug s TYR 74 Cb -0.15 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 2dug s TYR 74 CO 0.15 -0.10 0.88 -2.30 -1.11 0.00 0.00 175.55 173.08 2dug n PRO 75 N 4.84 0.43 -0.21 -1.71 -0.02 -1.26 -4.74 135.00 132.33 2dug n PRO 75 Ca -0.13 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2dug n PRO 75 Cb 0.52 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 2dug n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2dug h ASP 76 N -0.34 0.20 0.10 2.55 3.58 -2.00 0.29 116.42 120.80 2dug h ASP 76 Ca -0.47 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2dug h ASP 76 Cb 1.33 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.46 2dug h ASP 76 CO 0.46 0.11 0.00 0.00 -2.88 0.00 0.00 179.24 176.93 2dug n HIS 77 N -5.02 0.54 0.05 0.28 1.44 -1.26 -1.70 115.22 109.55 2dug n HIS 77 Ca 0.10 0.27 0.05 0.00 -2.01 0.00 0.00 57.72 56.13 2dug n HIS 77 Cb 0.31 -0.94 0.10 0.00 0.12 0.00 0.00 29.99 29.58 2dug n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2dug n MET 78 N -2.05 1.94 0.18 -1.40 2.81 0.98 -4.65 117.12 114.92 2dug n MET 78 Ca -0.01 -1.63 0.18 0.00 -1.81 0.00 0.00 57.70 54.44 2dug n MET 78 Cb 0.05 -1.21 0.80 0.00 -0.71 0.00 0.00 33.22 32.15 2dug n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2dug h LYS 79 N 1.76 0.00 0.00 0.03 1.57 -0.92 0.23 116.57 119.24 2dug h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dug h LYS 79 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2dug h LYS 79 CO 0.00 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.77 2dug n ARG 80 N -3.61 0.12 -0.26 3.15 1.85 -1.26 -2.55 116.66 114.10 2dug n ARG 80 Ca 0.04 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.14 2dug n ARG 80 Cb 0.46 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.64 2dug n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2dug n HIS 81 N -1.41 0.68 -2.85 2.89 8.25 0.82 -4.59 115.22 119.01 2dug n HIS 81 Ca 0.07 -0.34 -0.44 0.00 -0.26 0.00 0.00 57.72 56.75 2dug n HIS 81 Cb 0.19 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 2dug n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dug s ASP 82 N -1.26 6.92 0.25 0.41 -1.08 -1.05 -4.46 116.67 116.39 2dug s ASP 82 Ca 0.42 -2.63 -0.06 0.00 -0.52 0.00 0.00 52.55 49.76 2dug s ASP 82 Cb 0.23 -2.44 0.27 0.00 -1.46 0.00 0.00 42.92 39.51 2dug s ASP 82 CO 0.31 -0.93 1.92 0.15 0.52 0.00 0.00 175.17 177.14 2dug h PHE 83 N 7.69 1.23 0.28 -5.34 3.57 -1.87 -3.02 116.94 119.48 2dug h PHE 83 Ca 0.30 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.84 2dug h PHE 83 Cb 0.91 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2dug h PHE 83 CO 1.18 0.76 -0.37 0.74 -2.23 0.00 0.00 178.31 178.40 2dug h PHE 84 N 1.31 -1.01 0.00 0.41 0.04 -1.89 -2.02 116.94 113.79 2dug h PHE 84 Ca 0.37 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.08 2dug h PHE 84 Cb -0.12 0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2dug h PHE 84 CO -0.00 -0.50 -0.34 0.87 -0.60 0.00 0.00 178.31 177.74 2dug h LYS 85 N -0.70 0.00 0.00 1.51 1.57 -1.85 -2.89 116.57 114.20 2dug h LYS 85 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dug h LYS 85 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2dug h LYS 85 CO -0.12 0.34 0.00 0.66 -0.57 0.00 0.00 179.45 179.76 2dug h SER 86 N 0.00 0.00 0.29 0.86 4.64 -1.25 -1.58 113.55 116.52 2dug h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dug h SER 86 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2dug h SER 86 CO 0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.88 2dug n ALA 87 N -1.96 2.79 -2.69 5.18 0.00 -0.87 -4.65 120.51 118.31 2dug n ALA 87 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 2dug n ALA 87 Cb 0.21 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2dug n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dug s MET 88 N -2.42 3.55 0.06 0.00 1.00 -0.59 0.44 119.30 121.33 2dug s MET 88 Ca 0.30 -0.25 0.27 0.00 0.00 0.00 0.00 55.69 56.01 2dug s MET 88 Cb 0.20 -2.77 0.98 0.00 0.00 0.00 0.00 34.83 33.24 2dug s MET 88 CO 0.47 0.32 1.78 -0.35 0.00 0.00 0.00 175.02 177.24 2dug n PRO 89 N -0.86 0.08 -0.31 2.03 -0.04 -1.26 -4.13 135.00 130.51 2dug n PRO 89 Ca -0.04 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2dug n PRO 89 Cb 0.54 -1.59 0.29 0.00 -0.04 0.00 0.00 33.50 32.70 2dug n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dug h GLU 90 N 0.00 0.87 0.00 0.54 3.07 -1.92 -2.82 114.58 114.32 2dug h GLU 90 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2dug h GLU 90 Cb 0.58 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2dug h GLU 90 CO 0.00 0.58 0.00 0.41 -1.40 0.00 0.00 179.01 178.60 2dug n GLY 91 N -1.39 -1.70 3.20 -3.84 0.00 0.17 -4.71 105.19 96.92 2dug n GLY 91 Ca 0.17 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 2dug n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dug s TYR 92 N 0.00 0.27 -0.08 1.61 -0.85 -0.71 -0.11 117.35 117.48 2dug s TYR 92 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 57.07 55.73 2dug s TYR 92 Cb 0.00 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 2dug s TYR 92 CO 0.00 -0.53 0.26 0.08 -1.52 0.00 0.00 175.55 173.83 2dug s VAL 93 N -3.89 5.30 -0.15 -3.49 1.01 0.12 -1.14 120.40 118.16 2dug s VAL 93 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2dug s VAL 93 Cb 0.05 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2dug s VAL 93 CO -0.09 0.58 -0.13 -1.58 0.00 0.00 0.00 175.10 173.88 2dug s GLN 94 N -0.87 2.15 0.08 2.72 0.74 -0.13 -2.11 119.66 122.24 2dug s GLN 94 Ca 0.18 -0.53 0.10 0.00 0.05 0.00 0.00 55.36 55.16 2dug s GLN 94 Cb -0.14 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.89 2dug s GLN 94 CO 0.08 -0.26 -0.26 -1.21 -0.55 0.00 0.00 175.29 173.09 2dug s GLU 95 N 1.52 1.66 0.06 1.67 2.02 0.01 -0.66 118.70 124.99 2dug s GLU 95 Ca 0.05 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.83 2dug s GLU 95 Cb -0.13 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 2dug s GLU 95 CO -0.10 0.49 -0.01 1.03 0.02 0.00 0.00 175.26 176.68 2dug s ARG 96 N -1.58 0.66 -0.08 1.61 0.52 -0.92 -0.77 118.95 118.40 2dug s ARG 96 Ca 0.13 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2dug s ARG 96 Cb -0.10 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.59 2dug s ARG 96 CO 0.04 -0.13 -0.19 0.99 0.02 0.00 0.00 175.30 176.03 2dug s THR 97 N -3.94 1.62 -0.20 0.02 2.01 -0.60 -1.45 115.64 113.09 2dug s THR 97 Ca 0.09 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2dug s THR 97 Cb 0.08 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.20 2dug s THR 97 CO -0.08 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.51 2dug s ILE 98 N 0.38 2.21 -0.28 1.82 1.01 0.13 -1.39 121.20 125.07 2dug s ILE 98 Ca -0.14 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2dug s ILE 98 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2dug s ILE 98 CO 0.06 0.41 0.13 -0.36 0.00 0.00 0.00 174.94 175.18 2dug s PHE 99 N 1.27 3.15 -0.33 3.97 0.40 0.18 -0.89 117.98 125.72 2dug s PHE 99 Ca 0.02 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 2dug s PHE 99 Cb -0.15 -2.32 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 2dug s PHE 99 CO -0.11 -0.37 0.63 -0.06 0.70 0.00 0.00 175.22 176.02 2dug s PHE 100 N 1.64 3.18 0.22 0.36 0.40 -0.53 -0.40 117.98 122.85 2dug s PHE 100 Ca 0.06 0.45 -0.32 0.00 -0.60 0.00 0.00 56.93 56.52 2dug s PHE 100 Cb -0.16 -3.07 -0.14 0.00 0.51 0.00 0.00 43.02 40.16 2dug s PHE 100 CO 0.06 -0.56 1.37 1.17 0.70 0.00 0.00 175.22 177.96 2dug n LYS 101 N 5.97 1.85 -1.90 0.44 4.81 -0.45 -0.85 118.16 128.04 2dug n LYS 101 Ca -0.01 0.66 -0.19 0.00 -0.87 0.00 0.00 58.31 57.90 2dug n LYS 101 Cb 0.49 -2.29 -0.05 0.00 0.02 0.00 0.00 35.03 33.19 2dug n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dug n ASP 102 N 2.21 -5.39 0.00 3.14 8.00 -1.26 -4.80 116.55 118.45 2dug n ASP 102 Ca 0.13 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2dug n ASP 102 Cb 0.30 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 2dug n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dug n ASP 103 N -1.32 0.00 -2.20 -2.24 -0.08 -0.03 -4.94 116.55 105.74 2dug n ASP 103 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2dug n ASP 103 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 2dug n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dug n GLY 104 N 0.00 -0.72 3.09 0.27 0.00 -1.18 -4.63 105.19 102.02 2dug n GLY 104 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 2dug n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dug s ASN 105 N -1.00 0.14 -0.03 1.61 2.20 -0.69 -1.45 114.94 115.72 2dug s ASN 105 Ca 0.00 -0.42 0.01 0.00 -0.94 0.00 0.00 52.86 51.51 2dug s ASN 105 Cb 0.00 0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.42 2dug s ASN 105 CO 0.00 -0.43 -0.04 -0.31 -2.94 0.00 0.00 177.10 173.38 2dug s TYR 106 N -2.04 2.99 -0.09 1.54 2.02 -0.07 -2.15 117.35 119.55 2dug s TYR 106 Ca -0.10 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2dug s TYR 106 Cb -0.05 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2dug s TYR 106 CO -0.02 0.40 -0.19 0.15 -1.57 0.00 0.00 175.55 174.32 2dug s LYS 107 N -1.25 2.53 0.13 -0.62 1.02 -0.04 0.17 119.74 121.68 2dug s LYS 107 Ca 0.16 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.52 2dug s LYS 107 Cb -0.11 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2dug s LYS 107 CO 0.06 0.11 -0.15 0.95 -0.92 0.00 0.00 175.35 175.40 2dug s THR 108 N 0.50 1.41 -0.05 2.17 -4.23 -0.53 -1.05 115.64 113.86 2dug s THR 108 Ca -0.16 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2dug s THR 108 Cb -0.17 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.13 2dug s THR 108 CO 0.06 -0.38 0.01 -0.60 -0.54 0.00 0.00 174.62 173.17 2dug s ARG 109 N -2.64 0.40 0.10 3.99 3.52 -0.06 -2.16 118.95 122.09 2dug s ARG 109 Ca 0.10 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2dug s ARG 109 Cb -0.05 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2dug s ARG 109 CO 0.04 -0.23 -0.09 0.00 -0.81 0.00 0.00 175.30 174.21 2dug s ALA 110 N 1.59 1.06 -0.09 6.12 0.00 0.17 -1.12 121.76 129.49 2dug s ALA 110 Ca -0.02 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.73 2dug s ALA 110 Cb -0.13 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2dug s ALA 110 CO -0.03 -0.12 -0.23 -1.21 0.00 0.00 0.00 175.76 174.17 2dug s GLU 111 N -3.21 2.80 -0.19 0.00 2.02 -0.12 -0.95 118.70 119.04 2dug s GLU 111 Ca 0.08 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.25 2dug s GLU 111 Cb 0.00 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 32.09 2dug s GLU 111 CO -0.02 0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.36 2dug s VAL 112 N 0.28 2.07 0.24 2.63 1.01 -0.30 -1.24 120.40 125.09 2dug s VAL 112 Ca -0.16 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 2dug s VAL 112 Cb -0.17 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2dug s VAL 112 CO 0.07 0.44 0.75 -1.59 0.00 0.00 0.00 175.10 174.78 2dug s LYS 113 N 1.26 1.61 0.22 2.72 -2.85 -0.45 -1.74 119.74 120.52 2dug s LYS 113 Ca 0.03 -0.86 -0.25 0.00 -1.00 0.00 0.00 55.97 53.89 2dug s LYS 113 Cb -0.14 0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2dug s LYS 113 CO -0.12 -0.73 0.82 -0.06 0.10 0.00 0.00 175.35 175.36 2dug s PHE 114 N -3.77 3.81 -0.44 1.78 0.08 -1.07 -1.49 117.98 116.88 2dug s PHE 114 Ca 0.10 1.64 0.04 0.00 0.12 0.00 0.00 56.93 58.82 2dug s PHE 114 Cb -0.05 -2.79 0.12 0.00 -0.57 0.00 0.00 43.02 39.74 2dug s PHE 114 CO 0.04 0.40 0.18 -1.21 -0.10 0.00 0.00 175.22 174.52 2dug s GLU 115 N -1.55 1.66 5.42 0.44 0.41 -0.02 -4.94 118.70 120.12 2dug s GLU 115 Ca 0.41 -2.22 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 2dug s GLU 115 Cb -0.21 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.03 2dug s GLU 115 CO 0.25 -1.05 0.00 0.41 -0.49 0.00 0.00 175.26 174.38 2dug n GLY 116 N 3.64 1.54 0.06 -1.39 0.00 -1.26 -2.35 105.19 105.43 2dug n GLY 116 Ca 0.05 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.58 2dug n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dug n ASP 117 N 3.70 0.28 -4.75 1.61 8.00 -1.26 -4.86 116.55 119.27 2dug n ASP 117 Ca 0.00 -0.29 -0.37 0.00 0.71 0.00 0.00 54.79 54.84 2dug n ASP 117 Cb 0.00 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2dug n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dug s THR 118 N -2.61 5.22 -0.25 -3.53 2.01 -0.99 -4.31 115.64 111.18 2dug s THR 118 Ca 0.25 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.80 2dug s THR 118 Cb 0.20 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2dug s THR 118 CO 0.50 0.40 0.60 -0.22 -0.69 0.00 0.00 174.62 175.21 2dug s LEU 119 N 0.23 4.06 -0.09 4.42 1.98 -0.30 -0.84 118.68 128.15 2dug s LEU 119 Ca 0.21 0.67 0.00 0.00 -2.89 0.00 0.00 54.13 52.13 2dug s LEU 119 Cb -0.14 -2.81 -0.03 0.00 0.66 0.00 0.00 46.19 43.87 2dug s LEU 119 CO 0.08 -0.34 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.43 2dug s VAL 120 N 2.42 3.59 -0.27 1.68 1.01 -0.55 -0.95 120.40 127.33 2dug s VAL 120 Ca 0.25 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2dug s VAL 120 Cb -0.16 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 33.81 2dug s VAL 120 CO 0.09 0.57 -0.09 0.21 0.00 0.00 0.00 175.10 175.89 2dug s ASN 121 N -0.50 4.41 -0.19 3.32 2.47 -0.40 -1.34 114.94 122.71 2dug s ASN 121 Ca 0.07 -1.45 -0.05 0.00 0.42 0.00 0.00 52.86 51.85 2dug s ASN 121 Cb -0.12 -1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 38.15 2dug s ASN 121 CO 0.02 -0.22 -0.01 -0.13 -3.72 0.00 0.00 177.10 173.04 2dug s ARG 122 N 1.12 3.60 0.06 0.43 0.52 -0.37 -1.64 118.95 122.66 2dug s ARG 122 Ca -0.06 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2dug s ARG 122 Cb -0.20 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2dug s ARG 122 CO -0.06 0.05 -0.18 0.42 0.02 0.00 0.00 175.30 175.55 2dug s ILE 123 N 0.90 1.42 -0.12 1.52 1.01 0.30 -0.95 121.20 125.29 2dug s ILE 123 Ca 0.01 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.46 2dug s ILE 123 Cb -0.14 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 2dug s ILE 123 CO 0.02 0.02 -0.21 -1.61 0.00 0.00 0.00 174.94 173.17 2dug s GLU 124 N -1.40 3.13 -0.07 2.79 0.41 -0.28 -1.52 118.70 121.77 2dug s GLU 124 Ca 0.04 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.82 2dug s GLU 124 Cb -0.09 -2.42 -0.00 0.00 -1.78 0.00 0.00 34.13 29.84 2dug s GLU 124 CO 0.02 0.14 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.56 2dug s LEU 125 N 0.46 1.98 -0.13 1.80 0.20 -0.35 -0.88 118.68 121.75 2dug s LEU 125 Ca -0.14 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.23 2dug s LEU 125 Cb -0.17 -1.21 0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2dug s LEU 125 CO 0.06 0.16 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.38 2dug s LYS 126 N 0.20 2.30 -0.14 1.98 2.47 -0.22 -1.80 119.74 124.53 2dug s LYS 126 Ca -0.11 -0.57 -0.01 0.00 -1.56 0.00 0.00 55.97 53.72 2dug s LYS 126 Cb -0.15 -2.03 -0.01 0.00 -1.46 0.00 0.00 37.83 34.18 2dug s LYS 126 CO 0.05 -0.15 -0.11 0.20 0.16 0.00 0.00 175.35 175.50 2dug s GLY 127 N 1.24 1.57 0.07 5.54 0.00 0.77 -0.86 107.32 115.65 2dug s GLY 127 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.81 2dug s GLY 127 CO -0.06 -0.10 -0.06 -0.26 0.00 0.00 0.00 173.10 172.62 2dug s ILE 128 N 0.49 0.52 -1.27 0.90 -4.36 -0.91 0.14 121.20 116.70 2dug s ILE 128 Ca -0.08 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 2dug s ILE 128 Cb -0.15 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.10 2dug s ILE 128 CO 0.04 -0.84 0.00 0.47 0.24 0.00 0.00 174.94 174.85 2dug n ASP 129 N 0.23 -4.36 -4.83 4.36 8.00 -1.26 -1.70 116.55 117.00 2dug n ASP 129 Ca -0.14 0.20 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 2dug n ASP 129 Cb 0.60 -3.20 -0.03 0.00 -0.02 0.00 0.00 41.12 38.46 2dug n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dug s PHE 130 N -2.54 3.31 -0.09 1.24 0.40 -1.26 -3.08 117.98 115.97 2dug s PHE 130 Ca 0.00 1.51 -0.22 0.00 -0.60 0.00 0.00 56.93 57.62 2dug s PHE 130 Cb 0.00 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 2dug s PHE 130 CO 0.00 -0.47 0.66 0.15 0.70 0.00 0.00 175.22 176.26 2dug s LYS 131 N -3.82 4.40 0.34 0.44 1.02 -1.26 -4.88 119.74 115.97 2dug s LYS 131 Ca 0.61 0.79 0.14 0.00 0.02 0.00 0.00 55.97 57.53 2dug s LYS 131 Cb -0.11 -3.46 1.08 0.00 -0.52 0.00 0.00 37.83 34.82 2dug s LYS 131 CO 0.27 0.04 1.65 0.93 -0.92 0.00 0.00 175.35 177.33 2dug h GLU 132 N 6.83 0.27 -0.57 1.68 4.39 -1.97 -1.10 114.58 124.12 2dug h GLU 132 Ca -0.40 -0.02 -0.42 0.00 0.34 0.00 0.00 59.36 58.87 2dug h GLU 132 Cb 1.19 -0.06 -0.33 0.00 -0.10 0.00 0.00 28.75 29.45 2dug h GLU 132 CO 0.76 0.18 -0.75 -0.25 -1.16 0.00 0.00 179.01 177.78 2dug n ASP 133 N -5.10 4.10 -3.80 1.42 10.43 -1.26 -3.80 116.55 118.55 2dug n ASP 133 Ca 0.32 -3.74 -0.20 0.00 2.57 0.00 0.00 54.79 53.73 2dug n ASP 133 Cb 0.99 -0.39 0.12 0.00 1.84 0.00 0.00 41.12 43.69 2dug n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2dug n GLY 134 N -0.79 -0.20 0.29 0.44 0.00 -0.41 -4.73 105.19 99.79 2dug n GLY 134 Ca 0.37 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.67 2dug n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dug h ASN 135 N -0.84 0.00 0.00 1.61 2.35 -1.92 0.60 115.58 117.37 2dug h ASN 135 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2dug h ASN 135 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2dug h ASN 135 CO 0.26 0.05 -0.17 0.40 -1.65 0.00 0.00 177.43 176.32 2dug h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -0.16 117.51 123.26 2dug h ILE 136 Ca -0.00 -0.40 -0.05 0.00 -0.12 0.00 0.00 64.86 64.28 2dug h ILE 136 Cb 0.26 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 2dug h ILE 136 CO 0.01 0.00 -0.24 -0.07 -0.68 0.00 0.00 178.15 177.17 2dug h LEU 137 N -0.40 0.00 -0.03 1.44 3.38 -1.75 -0.58 115.31 117.36 2dug h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dug h LEU 137 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dug h LEU 137 CO 0.00 0.24 -0.01 0.61 0.09 0.00 0.00 178.44 179.37 2dug n GLY 138 N -0.66 -1.16 3.55 0.83 0.00 0.20 -4.90 105.19 103.06 2dug n GLY 138 Ca -0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2dug n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dug n HIS 139 N -1.16 -2.08 -0.66 1.61 8.25 -0.23 -4.91 115.22 116.04 2dug n HIS 139 Ca 0.17 0.67 0.08 0.00 -0.26 0.00 0.00 57.72 58.38 2dug n HIS 139 Cb 0.20 -3.88 0.25 0.00 1.12 0.00 0.00 29.99 27.68 2dug n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dug n LYS 140 N -3.91 3.13 -3.82 -0.41 5.02 -0.08 -4.97 118.16 113.12 2dug n LYS 140 Ca -0.13 -2.60 -0.37 0.00 -2.02 0.00 0.00 58.31 53.19 2dug n LYS 140 Cb 0.62 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 2dug n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dug s LEU 141 N -2.06 4.38 0.54 -0.35 1.43 -1.25 -0.84 118.68 120.53 2dug s LEU 141 Ca 0.38 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.78 2dug s LEU 141 Cb 0.27 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 2dug s LEU 141 CO 0.14 0.38 1.21 -1.61 0.23 0.00 0.00 176.35 176.70 2dug s GLU 142 N -0.89 3.28 -1.20 1.70 2.02 -0.23 -4.86 118.70 118.53 2dug s GLU 142 Ca 0.15 1.86 -0.12 0.00 0.02 0.00 0.00 54.97 56.88 2dug s GLU 142 Cb -0.12 -2.14 0.20 0.00 0.10 0.00 0.00 34.13 32.16 2dug s GLU 142 CO 0.05 -0.96 1.41 0.98 0.02 0.00 0.00 175.26 176.75 2dug n TYR 143 N -1.13 4.84 -3.42 1.61 9.36 -1.26 -4.80 117.16 122.37 2dug n TYR 143 Ca 0.11 -3.42 -0.05 0.00 3.32 0.00 0.00 57.90 57.87 2dug n TYR 143 Cb 0.48 -2.06 0.02 0.00 -0.63 0.00 0.00 39.34 37.15 2dug n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2dug n ASN 144 N 4.84 -1.20 -3.64 2.98 0.23 -1.26 -4.89 115.26 112.32 2dug n ASN 144 Ca 0.34 -1.83 -0.09 0.00 -0.53 0.00 0.00 54.58 52.48 2dug n ASN 144 Cb 0.41 2.00 -0.07 0.00 -2.08 0.00 0.00 39.78 40.04 2dug n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2dug s TYR 145 N -5.39 -0.95 0.48 -2.53 5.04 -1.26 -4.86 117.35 107.89 2dug s TYR 145 Ca 0.08 2.01 -0.05 0.00 -2.44 0.00 0.00 57.07 56.67 2dug s TYR 145 Cb -0.03 0.50 -0.04 0.00 0.35 0.00 0.00 41.96 42.75 2dug s TYR 145 CO 0.06 -0.47 0.79 -0.80 -1.34 0.00 0.00 175.55 173.79 2dug s ASN 146 N 1.19 6.26 0.62 4.32 0.01 -1.26 -4.71 114.94 121.38 2dug s ASN 146 Ca -0.06 0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 52.91 2dug s ASN 146 Cb -0.05 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2dug s ASN 146 CO -0.13 -0.58 1.03 -0.44 -1.51 0.00 0.00 177.10 175.47 2dug s SER 147 N -4.11 6.20 0.29 -1.22 0.01 -1.26 -4.67 113.70 108.94 2dug s SER 147 Ca 0.47 1.43 -0.19 0.00 1.31 0.00 0.00 55.95 58.97 2dug s SER 147 Cb -0.10 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.72 2dug s SER 147 CO 0.45 -0.89 0.89 0.54 0.41 0.00 0.00 173.24 174.63 2dug s ASN 148 N -4.16 -0.02 -0.09 2.44 4.22 -0.99 -5.01 114.94 111.34 2dug s ASN 148 Ca 0.55 -0.90 0.02 0.00 -2.14 0.00 0.00 52.86 50.38 2dug s ASN 148 Cb -0.11 0.70 -0.02 0.00 1.28 0.00 0.00 41.25 43.10 2dug s ASN 148 CO 0.54 -1.38 -0.13 0.20 -2.04 0.00 0.00 177.10 174.29 2dug s ASN 149 N -3.18 4.08 -0.30 3.54 0.01 -1.26 -1.01 114.94 116.82 2dug s ASN 149 Ca 0.17 -0.24 -0.08 0.00 -0.71 0.00 0.00 52.86 52.00 2dug s ASN 149 Cb -0.04 -1.21 -0.00 0.00 0.41 0.00 0.00 41.25 40.41 2dug s ASN 149 CO 0.08 0.27 0.12 -0.69 -1.51 0.00 0.00 177.10 175.37 2dug s VAL 150 N -0.25 4.31 -0.18 1.60 1.01 0.20 -4.68 120.40 122.41 2dug s VAL 150 Ca 0.02 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 2dug s VAL 150 Cb -0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2dug s VAL 150 CO 0.03 0.08 0.43 -0.31 0.00 0.00 0.00 175.10 175.33 2dug s TYR 151 N 1.56 3.41 -0.07 5.22 1.51 -0.84 -0.30 117.35 127.84 2dug s TYR 151 Ca 0.04 0.71 0.03 0.00 -1.01 0.00 0.00 57.07 56.83 2dug s TYR 151 Cb -0.17 -2.55 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 2dug s TYR 151 CO 0.04 0.03 -0.14 0.42 -1.11 0.00 0.00 175.55 174.80 2dug s ILE 152 N 1.15 3.06 0.04 2.71 1.01 -0.19 -1.34 121.20 127.64 2dug s ILE 152 Ca 0.21 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2dug s ILE 152 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2dug s ILE 152 CO 0.08 0.57 -0.08 -0.04 0.00 0.00 0.00 174.94 175.48 2dug s MET 153 N -0.41 0.52 0.35 2.79 -1.94 0.15 -2.56 119.30 118.19 2dug s MET 153 Ca 0.05 -0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 53.02 2dug s MET 153 Cb -0.12 -0.29 -0.09 0.00 2.01 0.00 0.00 34.83 36.34 2dug s MET 153 CO 0.02 0.05 1.19 0.00 -0.01 0.00 0.00 175.02 176.27 2dug s ALA 154 N -1.35 3.30 -0.57 3.03 0.00 -1.25 -0.58 121.76 124.35 2dug s ALA 154 Ca -0.10 1.02 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2dug s ALA 154 Cb -0.10 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.77 2dug s ALA 154 CO 0.00 -0.47 0.32 0.34 0.00 0.00 0.00 175.76 175.96 2dug s ASP 155 N -0.91 4.45 0.31 0.00 -1.08 0.17 -4.65 116.67 114.95 2dug s ASP 155 Ca 0.52 -3.24 0.01 0.00 -0.52 0.00 0.00 52.55 49.32 2dug s ASP 155 Cb -0.33 -1.64 0.54 0.00 -1.46 0.00 0.00 42.92 40.02 2dug s ASP 155 CO 0.43 -0.19 1.93 0.07 0.52 0.00 0.00 175.17 177.93 2dug h LYS 156 N 6.20 0.98 -0.45 4.34 5.09 -1.94 -0.74 116.57 130.07 2dug h LYS 156 Ca -0.02 -0.06 0.08 0.00 0.09 0.00 0.00 60.65 60.74 2dug h LYS 156 Cb 0.85 -0.22 -0.07 0.00 0.10 0.00 0.00 32.23 32.89 2dug h LYS 156 CO 0.70 0.65 0.03 -0.56 -2.09 0.00 0.00 179.45 178.18 2dug h GLN 157 N 1.01 0.15 -0.11 0.07 -0.00 -1.93 -1.36 115.11 112.94 2dug h GLN 157 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 2dug h GLN 157 Cb 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 2dug h GLN 157 CO -0.12 0.10 0.00 1.63 -0.00 0.00 0.00 178.83 180.44 2dug n LYS 158 N -5.17 1.70 -3.20 0.06 4.01 -1.08 -4.91 118.16 109.57 2dug n LYS 158 Ca 0.04 -1.04 -0.23 0.00 -0.51 0.00 0.00 58.31 56.57 2dug n LYS 158 Cb 0.23 -1.42 0.03 0.00 -0.51 0.00 0.00 35.03 33.36 2dug n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2dug n ASN 159 N 0.26 -5.54 0.00 4.39 5.15 -0.51 -4.82 115.26 114.18 2dug n ASN 159 Ca 0.17 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2dug n ASN 159 Cb 0.33 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 2dug n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dug n GLY 160 N -1.50 4.83 3.28 8.20 0.00 -0.35 -4.46 105.19 115.19 2dug n GLY 160 Ca -0.07 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 2dug n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dug s ILE 161 N -0.40 0.81 -0.02 -0.61 -4.36 -0.55 0.42 121.20 116.50 2dug s ILE 161 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 2dug s ILE 161 Cb 0.00 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 2dug s ILE 161 CO 0.00 -0.37 -0.17 -0.54 0.24 0.00 0.00 174.94 174.10 2dug s LYS 162 N -3.90 1.39 0.02 0.37 1.02 0.26 -1.95 119.74 116.94 2dug s LYS 162 Ca 0.27 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.68 2dug s LYS 162 Cb 0.06 -1.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 2dug s LYS 162 CO 0.07 0.35 -0.05 0.08 -0.92 0.00 0.00 175.35 174.87 2dug s VAL 163 N -0.35 0.39 0.00 3.17 1.01 0.17 -0.68 120.40 124.12 2dug s VAL 163 Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2dug s VAL 163 Cb -0.07 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2dug s VAL 163 CO -0.00 -0.14 0.23 0.20 0.00 0.00 0.00 175.10 175.38 2dug s ASN 164 N -0.79 -0.07 -0.05 3.32 -0.87 -0.45 -0.84 114.94 115.17 2dug s ASN 164 Ca -0.04 -0.10 -0.31 0.00 -1.57 0.00 0.00 52.86 50.83 2dug s ASN 164 Cb -0.06 0.27 0.13 0.00 -0.02 0.00 0.00 41.25 41.58 2dug s ASN 164 CO -0.00 -0.45 1.34 0.72 -2.57 0.00 0.00 177.10 176.15 2dug s PHE 165 N -1.60 -0.03 -0.04 2.20 -0.71 -1.07 -1.99 117.98 114.74 2dug s PHE 165 Ca -0.12 -0.04 0.06 0.00 -1.04 0.00 0.00 56.93 55.79 2dug s PHE 165 Cb -0.05 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 2dug s PHE 165 CO 0.02 -0.18 -0.22 0.15 -1.34 0.00 0.00 175.22 173.65 2dug s LYS 166 N -2.28 2.03 -0.05 1.99 1.02 -1.26 -1.25 119.74 119.94 2dug s LYS 166 Ca 0.14 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.39 2dug s LYS 166 Cb 0.06 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2dug s LYS 166 CO -0.05 0.40 -0.18 0.42 -0.92 0.00 0.00 175.35 175.02 2dug s ILE 167 N -0.29 2.69 -0.28 2.17 -1.09 -0.30 -4.88 121.20 119.21 2dug s ILE 167 Ca 0.02 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 2dug s ILE 167 Cb -0.11 -2.03 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2dug s ILE 167 CO 0.01 0.58 0.02 -0.13 -1.23 0.00 0.00 174.94 174.19 2dug s ARG 168 N -0.50 2.85 -0.03 2.79 0.52 -1.26 -0.14 118.95 123.18 2dug s ARG 168 Ca 0.06 -1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 2dug s ARG 168 Cb -0.12 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 2dug s ARG 168 CO 0.01 -0.48 0.55 -1.01 0.02 0.00 0.00 175.30 174.40 2dug s HIS 169 N 1.39 3.65 -0.01 -0.53 3.76 0.29 -4.57 115.29 119.27 2dug s HIS 169 Ca 0.00 1.12 -0.30 0.00 -0.15 0.00 0.00 55.06 55.73 2dug s HIS 169 Cb -0.18 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.92 2dug s HIS 169 CO -0.01 0.34 1.04 -0.80 -0.85 0.00 0.00 174.74 174.47 2dug s ASN 170 N -0.12 7.27 0.26 1.40 0.01 -1.26 -0.33 114.94 122.17 2dug s ASN 170 Ca 0.29 1.71 -0.11 0.00 -0.71 0.00 0.00 52.86 54.05 2dug s ASN 170 Cb -0.17 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 38.84 2dug s ASN 170 CO 0.15 -0.36 0.60 -0.63 -1.51 0.00 0.00 177.10 175.36 2dug s ILE 171 N 1.29 4.87 0.58 0.60 1.01 -0.07 -1.06 121.20 128.41 2dug s ILE 171 Ca 0.53 0.59 0.34 0.00 0.00 0.00 0.00 60.65 62.11 2dug s ILE 171 Cb -0.22 -3.62 0.38 0.00 0.01 0.00 0.00 42.46 39.01 2dug s ILE 171 CO 0.26 -0.11 2.27 -0.33 0.00 0.00 0.00 174.94 177.03 2dug h GLU 172 N 2.45 0.00 -0.02 2.79 5.08 -1.30 -0.43 114.58 123.14 2dug h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2dug h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2dug h GLU 172 CO 0.68 0.01 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 2dug n ASP 173 N -3.57 0.45 0.00 1.42 5.68 -1.26 -4.89 116.55 114.38 2dug n ASP 173 Ca -0.03 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 2dug n ASP 173 Cb 0.10 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2dug n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dug n GLY 174 N 0.98 1.62 1.72 6.12 0.00 -0.17 -5.08 105.19 110.38 2dug n GLY 174 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2dug n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dug n SER 175 N 0.00 0.26 -4.17 1.61 2.88 -1.25 -4.81 113.62 108.14 2dug n SER 175 Ca 0.00 -1.33 -0.25 0.00 -1.33 0.00 0.00 58.87 55.96 2dug n SER 175 Cb 0.00 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.92 2dug n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dug s VAL 176 N -1.88 1.41 -0.37 2.46 -7.23 -1.26 -0.90 120.40 112.63 2dug s VAL 176 Ca 0.32 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.63 2dug s VAL 176 Cb -0.01 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.78 2dug s VAL 176 CO 0.22 0.40 0.19 -1.58 -0.31 0.00 0.00 175.10 174.02 2dug s GLN 177 N -0.36 2.78 0.23 4.82 2.00 0.55 -4.91 119.66 124.77 2dug s GLN 177 Ca 0.06 -1.10 -0.30 0.00 -2.00 0.00 0.00 55.36 52.01 2dug s GLN 177 Cb -0.07 -3.70 -0.09 0.00 0.80 0.00 0.00 33.01 29.95 2dug s GLN 177 CO -0.00 -0.70 1.03 -1.17 -0.50 0.00 0.00 175.29 173.95 2dug s LEU 178 N 1.53 4.57 -0.28 3.68 2.96 -1.26 -0.55 118.68 129.33 2dug s LEU 178 Ca 0.01 2.09 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 2dug s LEU 178 Cb -0.19 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 42.96 2dug s LEU 178 CO 0.06 -0.05 0.02 0.00 -1.32 0.00 0.00 176.35 175.07 2dug s ALA 179 N -0.91 1.92 -0.27 5.97 0.00 0.80 -1.34 121.76 127.93 2dug s ALA 179 Ca 0.44 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.56 2dug s ALA 179 Cb -0.29 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2dug s ALA 179 CO 0.36 -1.45 0.67 -0.51 0.00 0.00 0.00 175.76 174.83 2dug s ASP 180 N 1.41 6.60 -0.17 0.00 1.01 0.47 -1.15 116.67 124.83 2dug s ASP 180 Ca 0.03 0.70 -0.06 0.00 0.71 0.00 0.00 52.55 53.93 2dug s ASP 180 Cb -0.18 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2dug s ASP 180 CO -0.13 -0.43 0.02 -1.00 0.21 0.00 0.00 175.17 173.85 2dug s HIS 181 N 2.60 3.16 -0.12 4.23 3.76 -0.38 0.47 115.29 129.01 2dug s HIS 181 Ca 0.28 -0.07 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2dug s HIS 181 Cb -0.15 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.52 2dug s HIS 181 CO 0.09 0.09 -0.18 0.71 -0.85 0.00 0.00 174.74 174.60 2dug s TYR 182 N 0.34 2.28 0.05 1.40 2.02 -0.48 -2.60 117.35 120.34 2dug s TYR 182 Ca 0.00 -1.11 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 2dug s TYR 182 Cb -0.13 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 2dug s TYR 182 CO 0.01 -0.54 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.22 2dug s GLN 183 N 0.91 0.64 0.02 -0.62 0.74 -0.02 -1.56 119.66 119.77 2dug s GLN 183 Ca -0.07 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.59 2dug s GLN 183 Cb -0.15 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.42 2dug s GLN 183 CO -0.02 0.11 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.14 2dug s GLN 184 N -1.45 0.34 0.01 1.67 -0.21 0.05 -0.65 119.66 119.42 2dug s GLN 184 Ca -0.06 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 54.95 2dug s GLN 184 Cb -0.09 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.73 2dug s GLN 184 CO 0.01 0.03 -0.14 -0.80 -2.12 0.00 0.00 175.29 172.28 2dug s ASN 185 N -0.85 1.62 -0.05 5.90 -0.87 -0.82 -0.81 114.94 119.06 2dug s ASN 185 Ca -0.06 -0.32 -0.06 0.00 -1.57 0.00 0.00 52.86 50.85 2dug s ASN 185 Cb -0.06 -0.15 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 2dug s ASN 185 CO -0.00 0.12 0.16 0.42 -2.57 0.00 0.00 177.10 175.23 2dug s THR 186 N -0.50 0.01 0.61 1.60 -4.23 -0.90 -1.49 115.64 110.75 2dug s THR 186 Ca 0.04 -0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.28 2dug s THR 186 Cb -0.06 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 2dug s THR 186 CO 0.00 -0.05 1.17 -2.16 -0.54 0.00 0.00 174.62 173.04 2dug s PRO 187 N -0.11 2.95 -0.07 3.99 0.04 -1.26 0.14 135.00 140.67 2dug s PRO 187 Ca -0.02 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 2dug s PRO 187 Cb -0.02 -1.94 -0.29 0.00 0.04 0.00 0.00 34.50 32.29 2dug s PRO 187 CO 0.00 -1.19 0.76 0.82 0.04 0.00 0.00 177.00 177.43 2dug h ILE 188 N 0.70 1.37 -0.63 0.56 2.04 -0.80 -3.43 117.51 117.31 2dug h ILE 188 Ca -0.49 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 62.89 2dug h ILE 188 Cb 1.28 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 2dug h ILE 188 CO 0.55 0.69 0.00 0.61 0.00 0.00 0.00 178.15 180.00 2dug n GLY 189 N 1.68 -3.15 0.12 5.37 0.00 -1.26 -4.89 105.19 103.05 2dug n GLY 189 Ca -0.18 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.59 2dug n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dug n ASP 190 N -1.39 0.92 -4.68 1.61 2.03 -1.26 -5.03 116.55 108.74 2dug n ASP 190 Ca 0.00 -0.96 -0.31 0.00 0.52 0.00 0.00 54.79 54.04 2dug n ASP 190 Cb 0.00 0.42 0.16 0.00 -0.72 0.00 0.00 41.12 40.98 2dug n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2dug s GLY 191 N -0.85 1.69 0.65 0.27 0.00 -1.26 -4.99 107.32 102.82 2dug s GLY 191 Ca 0.04 0.55 -0.13 0.00 0.00 0.00 0.00 44.72 45.18 2dug s GLY 191 CO 0.12 0.96 1.06 2.56 0.00 0.00 0.00 173.10 177.80 2dug s PRO 192 N -4.68 3.04 0.20 2.90 0.04 -1.26 -5.05 135.00 130.18 2dug s PRO 192 Ca 0.66 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 2dug s PRO 192 Cb -0.22 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2dug s PRO 192 CO 0.58 -1.03 0.09 0.14 0.04 0.00 0.00 177.00 176.82 2dug s VAL 193 N -2.71 0.22 -0.20 -0.36 -7.23 -1.26 -4.74 120.40 104.11 2dug s VAL 193 Ca 0.61 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 2dug s VAL 193 Cb -0.16 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2dug s VAL 193 CO 0.46 -0.15 0.16 -0.76 -0.31 0.00 0.00 175.10 174.51 2dug s LEU 194 N -3.17 4.21 -0.17 1.32 1.43 -1.26 -5.06 118.68 115.97 2dug s LEU 194 Ca 0.34 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 2dug s LEU 194 Cb 0.07 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2dug s LEU 194 CO 0.09 0.15 0.21 -0.76 0.23 0.00 0.00 176.35 176.28 2dug s LEU 195 N 0.46 4.25 0.43 1.79 2.01 -1.26 -3.80 118.68 122.56 2dug s LEU 195 Ca 0.10 0.40 -0.02 0.00 0.01 0.00 0.00 54.13 54.62 2dug s LEU 195 Cb -0.12 -2.23 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 2dug s LEU 195 CO -0.00 0.17 0.68 -2.16 1.01 0.00 0.00 176.35 176.05 2dug s PRO 196 N 0.23 3.37 0.84 1.29 0.04 -1.26 -4.84 135.00 134.67 2dug s PRO 196 Ca 0.13 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 60.88 2dug s PRO 196 Cb -0.12 -2.51 0.11 0.00 0.04 0.00 0.00 34.50 32.01 2dug s PRO 196 CO 0.02 -0.12 1.21 -0.51 0.04 0.00 0.00 177.00 177.63 2dug s ASP 197 N -4.12 4.20 0.29 6.66 1.01 -1.26 -3.76 116.67 119.69 2dug s ASP 197 Ca 0.45 0.68 -0.30 0.00 0.71 0.00 0.00 52.55 54.10 2dug s ASP 197 Cb -0.10 -1.08 -0.10 0.00 1.01 0.00 0.00 42.92 42.65 2dug s ASP 197 CO 0.40 -2.09 1.46 0.20 0.21 0.00 0.00 175.17 175.35 2dug s ASN 198 N -4.63 6.57 0.17 0.27 0.02 -1.26 -4.80 114.94 111.27 2dug s ASN 198 Ca 0.64 2.78 -0.08 0.00 -1.02 0.00 0.00 52.86 55.19 2dug s ASN 198 Cb -0.10 -2.64 0.03 0.00 0.02 0.00 0.00 41.25 38.57 2dug s ASN 198 CO 0.50 -0.74 0.42 0.00 0.02 0.00 0.00 177.10 177.30 2dug n HIS 199 N 1.80 -1.47 -3.97 2.20 1.44 -1.06 -4.81 115.22 109.34 2dug n HIS 199 Ca 0.05 -0.83 -0.08 0.00 -2.01 0.00 0.00 57.72 54.84 2dug n HIS 199 Cb 0.40 0.41 -0.08 0.00 0.12 0.00 0.00 29.99 30.84 2dug n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2dug s TYR 200 N -5.21 0.37 -0.12 -1.40 -0.85 -0.75 -1.02 117.35 108.37 2dug s TYR 200 Ca 0.09 -0.83 -0.02 0.00 -0.52 0.00 0.00 57.07 55.79 2dug s TYR 200 Cb -0.02 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 2dug s TYR 200 CO 0.05 -0.52 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.01 2dug s LEU 201 N -2.91 3.26 -0.27 -3.49 1.43 0.59 -0.42 118.68 116.86 2dug s LEU 201 Ca 0.09 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2dug s LEU 201 Cb 0.06 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2dug s LEU 201 CO -0.08 0.24 0.18 -0.44 0.23 0.00 0.00 176.35 176.48 2dug s SER 202 N -0.09 5.97 0.10 2.29 0.01 0.50 -0.63 113.70 121.84 2dug s SER 202 Ca 0.02 -0.00 0.10 0.00 1.31 0.00 0.00 55.95 57.37 2dug s SER 202 Cb -0.13 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2dug s SER 202 CO 0.03 -0.03 -0.25 -0.89 0.41 0.00 0.00 173.24 172.51 2dug s THR 203 N 1.64 2.04 -0.03 1.44 2.01 -0.18 -1.60 115.64 120.96 2dug s THR 203 Ca 0.07 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.48 2dug s THR 203 Cb -0.16 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.57 2dug s THR 203 CO 0.09 0.13 0.07 0.00 -0.69 0.00 0.00 174.62 174.22 2dug s GLN 204 N -1.74 0.07 -0.03 4.92 -2.07 -0.55 -2.34 119.66 117.92 2dug s GLN 204 Ca 0.11 0.11 0.01 0.00 -1.82 0.00 0.00 55.36 53.77 2dug s GLN 204 Cb -0.10 0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.85 2dug s GLN 204 CO 0.04 -0.03 -0.03 -1.12 -1.32 0.00 0.00 175.29 172.83 2dug s SER 205 N 0.15 0.66 -0.10 12.60 0.01 -1.26 -1.25 113.70 124.51 2dug s SER 205 Ca -0.01 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.19 2dug s SER 205 Cb -0.02 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2dug s SER 205 CO -0.00 -0.02 -0.20 0.00 0.41 0.00 0.00 173.24 173.42 2dug s ALA 206 N 0.57 2.33 -0.07 1.44 0.00 0.36 -4.53 121.76 121.86 2dug s ALA 206 Ca -0.07 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2dug s ALA 206 Cb -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2dug s ALA 206 CO -0.00 0.30 0.00 -0.51 0.00 0.00 0.00 175.76 175.55 2dug s LEU 207 N 0.24 3.57 0.34 0.00 1.43 -1.26 -1.22 118.68 121.78 2dug s LEU 207 Ca -0.13 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2dug s LEU 207 Cb -0.17 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2dug s LEU 207 CO 0.07 0.36 0.47 -0.94 0.23 0.00 0.00 176.35 176.54 2dug s SER 208 N -0.99 0.85 0.16 2.29 1.04 0.20 -4.95 113.70 112.30 2dug s SER 208 Ca 0.14 -1.45 0.11 0.00 0.48 0.00 0.00 55.95 55.23 2dug s SER 208 Cb -0.11 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2dug s SER 208 CO 0.04 -1.28 -0.24 -0.54 0.98 0.00 0.00 173.24 172.19 2dug s LYS 209 N -3.13 1.43 -0.40 4.02 -0.14 -1.26 -1.58 119.74 118.68 2dug s LYS 209 Ca 0.30 -1.43 -0.16 0.00 -1.36 0.00 0.00 55.97 53.31 2dug s LYS 209 Cb -0.00 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.36 2dug s LYS 209 CO 0.19 0.40 0.39 0.34 -0.76 0.00 0.00 175.35 175.92 2dug s ASP 210 N -2.41 6.17 0.60 2.83 -1.08 -1.26 -4.93 116.67 116.59 2dug s ASP 210 Ca 0.17 -0.66 0.28 0.00 -0.52 0.00 0.00 52.55 51.83 2dug s ASP 210 Cb -0.09 -2.20 1.46 0.00 -1.46 0.00 0.00 42.92 40.63 2dug s ASP 210 CO 0.08 -0.50 1.87 -0.65 0.52 0.00 0.00 175.17 176.48 2dug h PRO 211 N 8.66 0.00 -0.01 4.34 0.11 -2.04 0.19 132.00 143.26 2dug h PRO 211 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2dug h PRO 211 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2dug h PRO 211 CO 0.76 0.00 -0.05 0.09 -0.21 0.00 0.00 178.00 178.59 2dug n ASN 212 N -3.58 0.98 -4.67 -2.05 3.02 -1.26 -4.89 115.26 102.81 2dug n ASN 212 Ca 0.08 -1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 53.07 2dug n ASN 212 Cb 0.67 0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.76 2dug n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2dug s GLU 213 N -2.14 4.14 0.00 3.52 2.56 0.67 -4.94 118.70 122.52 2dug s GLU 213 Ca 0.37 0.05 0.22 0.00 0.00 0.00 0.00 54.97 55.61 2dug s GLU 213 Cb 0.21 -3.54 -0.23 0.00 2.00 0.00 0.00 34.13 32.57 2dug s GLU 213 CO 0.39 -0.01 0.72 1.63 -0.56 0.00 0.00 175.26 177.43 2dug n LYS 214 N 4.42 0.39 -1.80 4.30 4.76 -1.26 -4.91 118.16 124.05 2dug n LYS 214 Ca -0.10 -0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 54.93 2dug n LYS 214 Cb 0.51 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2dug n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2dug s ARG 215 N -3.30 3.20 0.13 1.97 0.52 -1.26 -4.98 118.95 115.24 2dug s ARG 215 Ca -0.01 1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 55.89 2dug s ARG 215 Cb 0.15 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 2dug s ARG 215 CO 0.87 -0.89 1.30 0.34 0.02 0.00 0.00 175.30 176.95 2dug s ASP 216 N -3.51 6.93 0.36 0.23 -1.08 -1.26 -4.95 116.67 113.39 2dug s ASP 216 Ca 0.59 2.26 -0.17 0.00 -0.52 0.00 0.00 52.55 54.72 2dug s ASP 216 Cb -0.14 -2.59 0.06 0.00 -1.46 0.00 0.00 42.92 38.79 2dug s ASP 216 CO 0.48 -0.55 0.82 -1.38 0.52 0.00 0.00 175.17 175.06 2dug s HIS 217 N 0.71 0.11 -0.17 -5.34 -3.43 -1.26 -1.42 115.29 104.49 2dug s HIS 217 Ca 0.60 -0.75 -0.11 0.00 -0.80 0.00 0.00 55.06 53.99 2dug s HIS 217 Cb -0.35 0.82 0.05 0.00 -1.43 0.00 0.00 32.58 31.68 2dug s HIS 217 CO 0.33 -1.49 0.42 1.41 -2.00 0.00 0.00 174.74 173.40 2dug s MET 218 N -2.32 0.44 -0.16 -0.38 1.75 -0.31 -4.97 119.30 113.35 2dug s MET 218 Ca 0.16 0.72 -0.04 0.00 -1.25 0.00 0.00 55.69 55.28 2dug s MET 218 Cb -0.05 0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 2dug s MET 218 CO 0.11 -0.12 -0.03 0.08 -0.65 0.00 0.00 175.02 174.41 2dug s VAL 219 N 0.95 3.99 -0.09 10.11 1.01 -0.62 0.35 120.40 136.11 2dug s VAL 219 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2dug s VAL 219 Cb -0.06 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2dug s VAL 219 CO -0.08 0.49 -0.15 -0.22 0.00 0.00 0.00 175.10 175.15 2dug s LEU 220 N 0.35 1.72 -0.13 3.92 2.96 0.48 -0.63 118.68 127.35 2dug s LEU 220 Ca -0.03 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2dug s LEU 220 Cb -0.14 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.57 2dug s LEU 220 CO 0.03 0.04 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.70 2dug s LEU 221 N 0.76 1.85 0.03 -0.68 2.96 -0.36 -0.90 118.68 122.34 2dug s LEU 221 Ca -0.12 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2dug s LEU 221 Cb -0.16 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2dug s LEU 221 CO 0.02 0.02 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.36 2dug s GLU 222 N 1.06 0.72 -0.05 1.98 2.02 -0.28 -0.48 118.70 123.66 2dug s GLU 222 Ca -0.04 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.33 2dug s GLU 222 Cb -0.15 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.44 2dug s GLU 222 CO -0.04 0.16 -0.10 -0.06 0.02 0.00 0.00 175.26 175.24 2dug s PHE 223 N -0.85 1.15 -0.02 1.61 0.08 -0.38 -1.15 117.98 118.42 2dug s PHE 223 Ca -0.02 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.67 2dug s PHE 223 Cb -0.07 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2dug s PHE 223 CO 0.01 -0.21 -0.02 0.08 -0.10 0.00 0.00 175.22 174.98 2dug s VAL 224 N 0.60 0.25 -0.03 -0.44 1.01 0.33 -1.48 120.40 120.63 2dug s VAL 224 Ca -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2dug s VAL 224 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2dug s VAL 224 CO 0.02 0.13 -0.09 -0.89 0.00 0.00 0.00 175.10 174.27 2dug s THR 225 N 0.66 0.80 0.37 3.92 2.01 -0.62 -1.16 115.64 121.63 2dug s THR 225 Ca -0.07 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 2dug s THR 225 Cb -0.10 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.59 2dug s THR 225 CO -0.01 0.25 0.90 0.00 -0.69 0.00 0.00 174.62 175.07 2dug s ALA 226 N 0.21 3.15 0.00 7.40 0.00 -0.02 -0.37 121.76 132.12 2dug s ALA 226 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2dug s ALA 226 Cb -0.09 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2dug s ALA 226 CO 0.01 0.19 0.00 0.00 0.00 0.00 0.00 175.76 175.95 2dug n ALA 227 N -0.21 0.00 -0.70 0.00 0.00 0.43 -4.56 120.51 115.48 2dug n ALA 227 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dug n ALA 227 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2dug n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dug n GLY 228 N 0.00 0.67 0.00 0.00 0.00 -1.26 -1.80 105.19 102.80 2dug n GLY 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dug n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71