#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvu n PRO 11 N 0.00 0.15 -3.76 0.00 -0.04 -1.26 -4.70 135.00 125.39 1dvu n PRO 11 Ca 0.00 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1dvu n PRO 11 Cb 0.00 -1.70 -0.17 0.00 -0.04 0.00 0.00 33.50 31.58 1dvu n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dvu s LEU 12 N -3.94 0.51 0.01 1.53 2.96 -1.26 0.15 118.68 118.64 1dvu s LEU 12 Ca 0.10 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1dvu s LEU 12 Cb 0.13 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 1dvu s LEU 12 CO 0.51 -0.20 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.92 1dvu s MET 13 N 1.89 0.74 -0.06 1.98 -2.45 0.08 -4.44 119.30 117.05 1dvu s MET 13 Ca 0.03 -0.47 0.05 0.00 -1.25 0.00 0.00 55.69 54.04 1dvu s MET 13 Cb -0.12 -0.70 -0.00 0.00 1.25 0.00 0.00 34.83 35.25 1dvu s MET 13 CO -0.04 0.18 -0.21 0.08 1.05 0.00 0.00 175.02 176.09 1dvu s VAL 14 N -0.50 1.72 -0.07 10.11 1.01 -1.07 -0.37 120.40 131.23 1dvu s VAL 14 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1dvu s VAL 14 Cb -0.05 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1dvu s VAL 14 CO 0.00 0.49 -0.15 -0.75 0.00 0.00 0.00 175.10 174.69 1dvu s LYS 15 N 0.04 1.91 -0.08 2.72 2.20 0.41 -0.76 119.74 126.17 1dvu s LYS 15 Ca -0.06 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1dvu s LYS 15 Cb -0.13 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.64 1dvu s LYS 15 CO 0.04 0.09 -0.16 0.08 -0.36 0.00 0.00 175.35 175.03 1dvu s VAL 16 N 0.51 1.47 0.14 4.02 1.01 0.44 -0.67 120.40 127.32 1dvu s VAL 16 Ca -0.13 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1dvu s VAL 16 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1dvu s VAL 16 CO 0.04 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.58 1dvu s LEU 17 N 0.64 2.35 -0.37 3.92 1.43 -0.14 -0.47 118.68 126.05 1dvu s LEU 17 Ca -0.14 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1dvu s LEU 17 Cb -0.16 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1dvu s LEU 17 CO 0.04 0.11 0.22 -0.62 0.23 0.00 0.00 176.35 176.33 1dvu s ASP 18 N -2.20 5.79 0.00 2.29 -1.08 0.10 -0.70 116.67 120.87 1dvu s ASP 18 Ca 0.13 -0.87 0.29 0.00 -0.52 0.00 0.00 52.55 51.58 1dvu s ASP 18 Cb -0.09 -2.05 1.27 0.00 -1.46 0.00 0.00 42.92 40.59 1dvu s ASP 18 CO 0.06 -0.36 1.93 0.00 0.52 0.00 0.00 175.17 177.33 1dvu n ALA 19 N 5.03 2.33 0.03 3.66 0.00 -0.12 -1.05 120.51 130.39 1dvu n ALA 19 Ca -0.12 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1dvu n ALA 19 Cb 0.47 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1dvu n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvu h VAL 20 N 0.00 0.83 -0.01 0.00 2.07 -1.93 -3.39 116.25 113.82 1dvu h VAL 20 Ca 0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1dvu h VAL 20 Cb 0.44 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1dvu h VAL 20 CO 0.00 0.83 -0.70 0.54 0.02 0.00 0.00 177.57 178.26 1dvu n ARG 21 N -3.64 1.09 -3.09 1.57 1.74 -1.23 -5.00 116.66 108.09 1dvu n ARG 21 Ca -0.28 -0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 56.32 1dvu n ARG 21 Cb 1.02 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 31.15 1dvu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvu n GLY 22 N 1.39 -0.16 3.55 -0.13 0.00 -0.22 -5.03 105.19 104.59 1dvu n GLY 22 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1dvu n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvu s SER 23 N -3.97 -0.10 0.63 1.61 1.04 -1.05 -5.00 113.70 106.85 1dvu s SER 23 Ca 0.03 -0.85 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 1dvu s SER 23 Cb -0.01 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1dvu s SER 23 CO 0.55 -1.10 1.17 -2.84 0.98 0.00 0.00 173.24 172.00 1dvu s PRO 24 N -3.99 2.79 -0.48 4.02 0.02 -1.26 0.01 135.00 136.11 1dvu s PRO 24 Ca 0.19 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 62.69 1dvu s PRO 24 Cb -0.00 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.64 1dvu s PRO 24 CO 0.06 -1.31 0.61 0.00 -0.33 0.00 0.00 177.00 176.02 1dvu s ALA 25 N -1.90 3.38 0.16 -1.55 0.00 0.38 -4.56 121.76 117.68 1dvu s ALA 25 Ca 0.73 -1.59 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1dvu s ALA 25 Cb -0.27 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 1dvu s ALA 25 CO 0.37 -1.91 0.52 0.42 0.00 0.00 0.00 175.76 175.17 1dvu s ILE 26 N 2.62 4.92 -1.57 0.00 1.01 -1.26 -4.34 121.20 122.59 1dvu s ILE 26 Ca 0.17 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 1dvu s ILE 26 Cb -0.18 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1dvu s ILE 26 CO 0.14 0.15 0.35 0.59 0.00 0.00 0.00 174.94 176.16 1dvu n ASN 27 N 0.50 -5.83 -4.69 3.58 3.02 -0.70 -4.94 115.26 106.21 1dvu n ASN 27 Ca -0.04 -0.17 -0.40 0.00 -0.03 0.00 0.00 54.58 53.94 1dvu n ASN 27 Cb 0.52 -4.73 -0.05 0.00 -0.61 0.00 0.00 39.78 34.91 1dvu n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvu s VAL 28 N -3.09 5.02 0.17 2.41 1.01 -1.26 -4.75 120.40 119.92 1dvu s VAL 28 Ca 0.17 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1dvu s VAL 28 Cb -0.08 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1dvu s VAL 28 CO 0.21 0.16 1.17 0.00 0.00 0.00 0.00 175.10 176.65 1dvu s ALA 29 N 1.47 3.42 -0.06 5.51 0.00 -1.26 -1.46 121.76 129.37 1dvu s ALA 29 Ca 0.33 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1dvu s ALA 29 Cb -0.16 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1dvu s ALA 29 CO 0.13 -0.34 -0.09 0.08 0.00 0.00 0.00 175.76 175.54 1dvu s VAL 30 N 0.02 0.93 -0.09 0.00 1.01 0.59 -1.38 120.40 121.48 1dvu s VAL 30 Ca 0.53 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1dvu s VAL 30 Cb -0.31 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1dvu s VAL 30 CO 0.35 0.32 -0.24 -1.00 0.00 0.00 0.00 175.10 174.53 1dvu s HIS 31 N 0.89 2.47 -0.07 5.22 3.76 -0.03 -1.25 115.29 126.28 1dvu s HIS 31 Ca -0.11 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 53.89 1dvu s HIS 31 Cb -0.15 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1dvu s HIS 31 CO 0.01 -0.36 -0.13 0.08 -0.85 0.00 0.00 174.74 173.50 1dvu s VAL 32 N 0.21 3.17 0.14 -0.90 1.01 0.20 -0.05 120.40 124.18 1dvu s VAL 32 Ca -0.14 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1dvu s VAL 32 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1dvu s VAL 32 CO 0.07 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.25 1dvu s PHE 33 N -0.48 1.46 -0.05 5.22 0.40 0.81 -0.35 117.98 124.99 1dvu s PHE 33 Ca 0.06 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1dvu s PHE 33 Cb -0.12 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 1dvu s PHE 33 CO 0.02 0.18 -0.20 0.50 0.70 0.00 0.00 175.22 176.42 1dvu s ARG 34 N -2.91 1.99 -0.03 0.44 3.52 -0.22 -0.49 118.95 121.24 1dvu s ARG 34 Ca 0.12 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1dvu s ARG 34 Cb -0.04 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.59 1dvu s ARG 34 CO 0.03 0.30 1.33 0.21 -0.81 0.00 0.00 175.30 176.36 1dvu s LYS 35 N -0.06 4.30 0.70 5.12 2.20 -0.03 -1.09 119.74 130.88 1dvu s LYS 35 Ca -0.03 1.84 -0.09 0.00 -0.36 0.00 0.00 55.97 57.34 1dvu s LYS 35 Cb -0.12 -3.59 0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1dvu s LYS 35 CO 0.02 -0.54 1.04 0.00 -0.36 0.00 0.00 175.35 175.51 1dvu s ALA 36 N 2.45 3.02 0.57 3.13 0.00 0.22 -4.73 121.76 126.41 1dvu s ALA 36 Ca 0.61 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 52.17 1dvu s ALA 36 Cb -0.28 -2.78 1.50 0.00 0.00 0.00 0.00 23.12 21.55 1dvu s ALA 36 CO 0.24 -1.23 1.97 0.00 0.00 0.00 0.00 175.76 176.74 1dvu h ALA 37 N -0.62 2.23 -0.52 0.00 0.00 -1.95 0.65 119.26 119.05 1dvu h ALA 37 Ca -0.45 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1dvu h ALA 37 Cb 1.29 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1dvu h ALA 37 CO 0.62 -0.63 0.18 -0.40 0.00 0.00 0.00 179.25 179.02 1dvu n ASP 38 N -3.95 4.04 -1.61 0.00 5.75 -1.26 -4.88 116.55 114.64 1dvu n ASP 38 Ca 0.08 -2.84 -0.19 0.00 -0.01 0.00 0.00 54.79 51.83 1dvu n ASP 38 Cb 0.60 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 1dvu n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvu n ASP 39 N 0.02 -5.37 -4.82 -1.12 8.00 0.22 -4.98 116.55 108.49 1dvu n ASP 39 Ca 0.28 0.39 -0.33 0.00 0.71 0.00 0.00 54.79 55.85 1dvu n ASP 39 Cb 1.08 -4.55 -0.06 0.00 -0.02 0.00 0.00 41.12 37.57 1dvu n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvu s THR 40 N -2.76 4.96 -0.45 -3.53 2.01 -1.25 -4.83 115.64 109.79 1dvu s THR 40 Ca 0.00 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1dvu s THR 40 Cb 0.00 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.25 1dvu s THR 40 CO 0.00 0.33 0.93 0.26 -0.69 0.00 0.00 174.62 175.45 1dvu s TRP 41 N -1.25 2.94 -0.12 4.92 0.52 -1.26 0.69 118.94 125.38 1dvu s TRP 41 Ca 0.25 0.43 -0.06 0.00 0.02 0.00 0.00 56.10 56.74 1dvu s TRP 41 Cb -0.12 -3.93 -0.04 0.00 -1.15 0.00 0.00 33.47 28.23 1dvu s TRP 41 CO 0.16 -1.07 0.11 -1.83 0.02 0.00 0.00 176.95 174.34 1dvu s GLU 42 N 3.72 3.40 0.24 4.98 -1.05 -0.25 -4.89 118.70 124.85 1dvu s GLU 42 Ca 0.37 -0.19 -0.31 0.00 -0.15 0.00 0.00 54.97 54.69 1dvu s GLU 42 Cb -0.10 -3.13 -0.14 0.00 -0.44 0.00 0.00 34.13 30.32 1dvu s GLU 42 CO 0.25 0.73 1.35 -2.30 0.95 0.00 0.00 175.26 176.25 1dvu n PRO 43 N 2.11 1.89 -0.01 -4.83 -0.02 -1.26 -1.06 135.00 131.82 1dvu n PRO 43 Ca -0.19 0.67 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1dvu n PRO 43 Cb 0.55 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1dvu n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvu n PHE 44 N 1.69 0.00 -3.56 6.00 7.35 0.52 -4.76 117.46 124.70 1dvu n PHE 44 Ca 0.12 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1dvu n PHE 44 Cb 0.31 -0.04 -0.02 0.00 0.35 0.00 0.00 39.48 40.08 1dvu n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvu s ALA 45 N -2.02 -1.92 0.21 3.13 0.00 -0.98 -5.00 121.76 115.19 1dvu s ALA 45 Ca -0.02 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1dvu s ALA 45 Cb 0.01 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1dvu s ALA 45 CO 0.02 -0.71 0.61 -1.54 0.00 0.00 0.00 175.76 174.14 1dvu s SER 46 N -2.45 -0.35 0.00 0.00 1.04 -1.26 0.60 113.70 111.28 1dvu s SER 46 Ca 0.08 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1dvu s SER 46 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1dvu s SER 46 CO -0.06 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1dvu n GLY 47 N -0.39 -1.31 3.15 7.32 0.00 -0.38 -5.00 105.19 108.59 1dvu n GLY 47 Ca -0.10 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 1dvu n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvu s LYS 48 N -0.90 1.05 0.59 1.61 1.02 -1.26 -0.30 119.74 121.55 1dvu s LYS 48 Ca 0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 1dvu s LYS 48 Cb 0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.21 1dvu s LYS 48 CO 0.00 0.27 1.23 0.95 -0.92 0.00 0.00 175.35 176.88 1dvu s THR 49 N -0.71 2.54 0.12 2.17 -4.23 -0.53 -4.78 115.64 110.21 1dvu s THR 49 Ca 0.03 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 1dvu s THR 49 Cb -0.07 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1dvu s THR 49 CO 0.01 -0.07 0.16 -1.54 -0.54 0.00 0.00 174.62 172.64 1dvu n SER 50 N -1.56 0.09 0.25 3.99 3.41 0.18 -1.72 113.62 118.27 1dvu n SER 50 Ca 0.14 -1.11 0.17 0.00 -0.26 0.00 0.00 58.87 57.81 1dvu n SER 50 Cb 0.49 -0.11 0.83 0.00 -0.26 0.00 0.00 64.21 65.15 1dvu n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvu h GLU 51 N 0.00 0.00 -0.21 4.33 4.39 -1.94 -0.15 114.58 121.01 1dvu h GLU 51 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1dvu h GLU 51 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1dvu h GLU 51 CO 0.04 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 1dvu n SER 52 N -2.78 2.47 -0.06 1.42 3.41 -1.26 -4.79 113.62 112.03 1dvu n SER 52 Ca -0.01 -1.83 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 1dvu n SER 52 Cb 0.16 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1dvu n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvu n GLY 53 N 1.30 0.47 3.63 5.00 0.00 -0.07 -4.80 105.19 110.72 1dvu n GLY 53 Ca 0.17 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1dvu n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvu s GLU 54 N -0.77 2.30 -0.20 1.61 2.02 -1.26 -0.42 118.70 121.97 1dvu s GLU 54 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 1dvu s GLU 54 Cb 0.00 -2.33 0.06 0.00 0.10 0.00 0.00 34.13 31.96 1dvu s GLU 54 CO 0.00 0.47 -0.02 -1.17 0.02 0.00 0.00 175.26 174.56 1dvu s LEU 55 N -2.72 1.86 0.43 1.80 2.96 0.06 -0.64 118.68 122.43 1dvu s LEU 55 Ca 0.26 -0.94 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1dvu s LEU 55 Cb -0.10 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1dvu s LEU 55 CO 0.17 -0.25 0.22 -1.00 -1.32 0.00 0.00 176.35 174.17 1dvu s HIS 56 N 1.61 2.48 -1.39 5.38 3.76 -1.26 -2.61 115.29 123.26 1dvu s HIS 56 Ca -0.03 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 1dvu s HIS 56 Cb -0.17 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1dvu s HIS 56 CO -0.07 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1dvu n GLY 57 N -1.33 0.55 0.23 -2.22 0.00 -1.26 -4.91 105.19 96.25 1dvu n GLY 57 Ca -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1dvu n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvu h LEU 58 N 0.00 0.57 0.00 0.99 3.38 -1.86 -3.47 115.31 114.91 1dvu h LEU 58 Ca -0.33 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 1dvu h LEU 58 Cb 1.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1dvu h LEU 58 CO 0.42 0.86 0.07 1.07 0.09 0.00 0.00 178.44 180.95 1dvu n THR 59 N -4.07 0.00 -4.44 0.22 5.66 -1.26 -4.83 114.28 105.57 1dvu n THR 59 Ca -0.01 -1.07 -0.22 0.00 -3.05 0.00 0.00 64.05 59.70 1dvu n THR 59 Cb 0.47 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 1dvu n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvu s THR 60 N -2.50 2.15 0.45 1.09 -4.23 -1.26 -4.53 115.64 106.81 1dvu s THR 60 Ca 0.17 -2.30 0.25 0.00 -1.18 0.00 0.00 61.69 58.64 1dvu s THR 60 Cb -0.02 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.82 1dvu s THR 60 CO 0.13 -0.43 2.09 1.05 -0.54 0.00 0.00 174.62 176.91 1dvu h GLU 61 N 2.33 0.00 -0.30 3.99 4.11 -1.99 -0.04 114.58 122.69 1dvu h GLU 61 Ca -0.40 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.88 1dvu h GLU 61 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1dvu h GLU 61 CO 0.62 0.11 -0.40 1.49 0.07 0.00 0.00 179.01 180.91 1dvu h GLU 62 N 0.00 0.80 0.00 1.06 4.57 -2.04 -3.26 114.58 115.71 1dvu h GLU 62 Ca -0.00 -0.46 -0.18 0.00 -1.18 0.00 0.00 59.36 57.54 1dvu h GLU 62 Cb 0.28 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1dvu h GLU 62 CO 0.01 1.09 -0.96 0.37 -1.18 0.00 0.00 179.01 178.35 1dvu h GLN 63 N 0.57 0.00 -4.45 1.92 4.15 -1.84 -3.40 115.11 112.06 1dvu h GLN 63 Ca 0.03 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.75 1dvu h GLN 63 Cb 0.99 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.63 1dvu h GLN 63 CO 0.09 0.71 2.82 0.34 -1.93 0.00 0.00 178.83 180.86 1dvu n PHE 64 N -3.23 3.81 -2.07 3.99 7.35 -0.08 -4.96 117.46 122.27 1dvu n PHE 64 Ca -0.02 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.45 1dvu n PHE 64 Cb 0.88 -2.54 0.10 0.00 0.35 0.00 0.00 39.48 38.27 1dvu n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvu s VAL 65 N 3.27 2.12 0.58 -2.13 -7.23 -1.26 -4.92 120.40 110.82 1dvu s VAL 65 Ca 0.48 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.31 1dvu s VAL 65 Cb 0.11 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1dvu s VAL 65 CO -0.04 0.00 1.24 -0.62 -0.31 0.00 0.00 175.10 175.37 1dvu n GLU 66 N -3.21 1.36 -3.46 4.82 1.02 -1.26 -4.81 120.64 115.09 1dvu n GLU 66 Ca 0.10 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1dvu n GLU 66 Cb 0.60 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1dvu n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvu n GLY 67 N 0.94 -2.01 3.58 0.62 0.00 -1.01 -4.98 105.19 102.32 1dvu n GLY 67 Ca 0.12 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 1dvu n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvu s ILE 68 N -2.17 4.62 0.16 -0.61 1.01 -1.26 -0.35 121.20 122.59 1dvu s ILE 68 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.67 1dvu s ILE 68 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1dvu s ILE 68 CO 0.00 0.43 -0.24 -0.31 0.00 0.00 0.00 174.94 174.82 1dvu s TYR 69 N 0.70 2.35 -0.12 3.97 1.51 0.20 -0.85 117.35 125.11 1dvu s TYR 69 Ca 0.03 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1dvu s TYR 69 Cb -0.13 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1dvu s TYR 69 CO 0.02 0.42 -0.12 0.21 -1.11 0.00 0.00 175.55 174.96 1dvu s LYS 70 N -2.35 1.98 -0.28 -0.62 2.20 0.35 -1.54 119.74 119.48 1dvu s LYS 70 Ca 0.18 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1dvu s LYS 70 Cb -0.09 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1dvu s LYS 70 CO 0.08 -0.16 0.09 0.08 -0.36 0.00 0.00 175.35 175.08 1dvu s VAL 71 N 1.30 4.25 -0.19 4.02 1.01 0.22 -0.13 120.40 130.86 1dvu s VAL 71 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1dvu s VAL 71 Cb -0.14 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1dvu s VAL 71 CO -0.05 0.19 0.00 -0.70 0.00 0.00 0.00 175.10 174.54 1dvu s GLU 72 N 1.57 3.65 -0.24 2.72 2.12 0.93 -0.76 118.70 128.70 1dvu s GLU 72 Ca 0.05 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.83 1dvu s GLU 72 Cb -0.16 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1dvu s GLU 72 CO 0.04 0.06 -0.03 0.42 -0.54 0.00 0.00 175.26 175.20 1dvu s ILE 73 N 0.88 3.32 -1.23 -3.70 1.01 0.76 -0.85 121.20 121.40 1dvu s ILE 73 Ca 0.01 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 1dvu s ILE 73 Cb -0.14 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1dvu s ILE 73 CO 0.02 0.33 1.91 -0.67 0.00 0.00 0.00 174.94 176.53 1dvu n ASP 74 N 4.78 3.89 0.08 3.58 2.03 -0.48 -1.14 116.55 129.29 1dvu n ASP 74 Ca -0.17 -2.81 -0.04 0.00 0.52 0.00 0.00 54.79 52.28 1dvu n ASP 74 Cb 0.50 -1.64 0.15 0.00 -0.72 0.00 0.00 41.12 39.41 1dvu n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvu h THR 75 N 5.26 1.35 -0.18 5.18 1.35 -1.87 -3.26 112.91 120.74 1dvu h THR 75 Ca 0.41 -1.78 0.03 0.00 -0.55 0.00 0.00 66.41 64.52 1dvu h THR 75 Cb 0.81 1.85 -0.03 0.00 -1.73 0.00 0.00 68.15 69.05 1dvu h THR 75 CO 1.56 0.53 -0.01 0.50 -0.25 0.00 0.00 175.52 177.85 1dvu h LYS 76 N 0.21 0.05 -0.73 4.72 3.64 -1.74 -1.81 116.57 120.91 1dvu h LYS 76 Ca 0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1dvu h LYS 76 Cb 0.99 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1dvu h LYS 76 CO 0.08 0.03 0.41 0.77 -2.27 0.00 0.00 179.45 178.48 1dvu h SER 77 N 0.05 0.88 -0.04 4.20 0.02 -1.86 -1.38 113.55 115.42 1dvu h SER 77 Ca 0.09 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1dvu h SER 77 Cb 0.11 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1dvu h SER 77 CO -0.15 0.70 0.03 0.22 -1.14 0.00 0.00 176.83 176.49 1dvu h TYR 78 N 1.01 0.06 -0.36 3.45 3.20 -1.45 -2.18 116.97 120.68 1dvu h TYR 78 Ca 0.26 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 1dvu h TYR 78 Cb -0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1dvu h TYR 78 CO 0.01 0.05 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.77 1dvu h TRP 79 N 0.05 0.92 -0.75 -3.82 4.06 -1.11 -3.07 115.95 112.24 1dvu h TRP 79 Ca 0.02 -0.24 -0.01 0.00 2.06 0.00 0.00 58.89 60.72 1dvu h TRP 79 Cb 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 27.92 1dvu h TRP 79 CO -0.07 1.00 0.44 0.87 -3.56 0.00 0.00 178.44 177.12 1dvu h LYS 80 N 0.67 1.02 0.00 0.49 1.57 -1.15 -0.71 116.57 118.46 1dvu h LYS 80 Ca 0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1dvu h LYS 80 Cb 0.85 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1dvu h LYS 80 CO 0.07 0.72 -0.07 0.00 -0.57 0.00 0.00 179.45 179.61 1dvu h ALA 81 N 1.45 1.19 -0.09 3.86 0.00 -1.30 -0.84 119.26 123.53 1dvu h ALA 81 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dvu h ALA 81 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1dvu h ALA 81 CO -0.05 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1dvu n LEU 82 N -3.44 2.41 0.00 0.00 4.77 -0.39 -4.94 117.00 115.40 1dvu n LEU 82 Ca -0.02 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1dvu n LEU 82 Cb 0.20 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1dvu n LEU 82 CO 0.27 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1dvu n GLY 83 N 1.29 0.40 3.33 -0.72 0.00 -0.32 -5.05 105.19 104.13 1dvu n GLY 83 Ca 0.17 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1dvu n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvu s ILE 84 N -2.00 2.73 -0.48 -0.61 1.01 -0.50 -5.01 121.20 116.34 1dvu s ILE 84 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 1dvu s ILE 84 Cb 0.00 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1dvu s ILE 84 CO 0.00 0.54 0.95 -0.94 0.00 0.00 0.00 174.94 175.49 1dvu s SER 85 N 0.26 6.49 0.61 3.58 1.04 -1.26 -3.29 113.70 121.11 1dvu s SER 85 Ca -0.12 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1dvu s SER 85 Cb -0.16 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1dvu s SER 85 CO 0.06 -1.10 0.91 -2.16 0.98 0.00 0.00 173.24 171.93 1dvu s PRO 86 N 3.87 2.78 -0.16 4.02 0.04 -1.26 -4.94 135.00 139.35 1dvu s PRO 86 Ca 0.37 -0.09 -0.23 0.00 0.04 0.00 0.00 61.00 61.09 1dvu s PRO 86 Cb -0.10 -2.27 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 1dvu s PRO 86 CO 0.26 -0.79 0.46 0.35 0.04 0.00 0.00 177.00 177.32 1dvu h PHE 87 N -0.23 0.00 -4.02 0.56 3.57 -1.58 -3.48 116.94 111.76 1dvu h PHE 87 Ca -0.45 0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.60 1dvu h PHE 87 Cb 1.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1dvu h PHE 87 CO 0.44 1.05 0.35 -1.01 -2.23 0.00 0.00 178.31 176.92 1dvu s HIS 88 N -2.22 3.33 0.13 0.41 3.76 -1.26 -4.97 115.29 114.47 1dvu s HIS 88 Ca -0.21 1.64 -0.06 0.00 -0.15 0.00 0.00 55.06 56.28 1dvu s HIS 88 Cb 0.01 -2.92 -0.07 0.00 1.11 0.00 0.00 32.58 30.70 1dvu s HIS 88 CO 0.58 -0.21 1.33 0.93 -0.85 0.00 0.00 174.74 176.52 1dvu h GLU 89 N 2.14 0.51 -2.11 1.40 4.39 -1.98 -3.38 114.58 115.56 1dvu h GLU 89 Ca -0.49 -0.48 0.24 0.00 0.34 0.00 0.00 59.36 58.97 1dvu h GLU 89 Cb 1.19 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.89 1dvu h GLU 89 CO 0.62 1.12 0.67 -3.38 -1.16 0.00 0.00 179.01 176.88 1dvu s HIS 90 N -3.47 -0.02 -0.11 4.33 -3.43 -1.26 -3.51 115.29 107.82 1dvu s HIS 90 Ca -0.07 -0.23 -0.00 0.00 -0.80 0.00 0.00 55.06 53.96 1dvu s HIS 90 Cb 0.09 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 1dvu s HIS 90 CO 0.87 -0.62 -0.10 0.00 -2.00 0.00 0.00 174.74 172.89 1dvu s ALA 91 N -2.52 2.77 -0.02 -1.38 0.00 -0.29 -4.90 121.76 115.42 1dvu s ALA 91 Ca 0.18 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1dvu s ALA 91 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1dvu s ALA 91 CO 0.01 0.35 -0.24 -1.21 0.00 0.00 0.00 175.76 174.67 1dvu s GLU 92 N -0.03 1.99 -0.16 0.00 2.02 -1.26 -0.17 118.70 121.09 1dvu s GLU 92 Ca -0.02 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.11 1dvu s GLU 92 Cb -0.14 -1.91 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1dvu s GLU 92 CO 0.03 0.51 -0.06 0.08 0.02 0.00 0.00 175.26 175.84 1dvu s VAL 93 N -0.53 1.10 -0.13 2.63 1.01 0.06 -4.97 120.40 119.56 1dvu s VAL 93 Ca 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1dvu s VAL 93 Cb -0.10 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1dvu s VAL 93 CO -0.01 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.40 1dvu s VAL 94 N 1.64 2.55 0.10 2.92 1.01 -1.26 -0.61 120.40 126.75 1dvu s VAL 94 Ca 0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1dvu s VAL 94 Cb -0.15 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1dvu s VAL 94 CO -0.08 0.53 0.41 0.72 0.00 0.00 0.00 175.10 176.68 1dvu s PHE 95 N 0.59 -0.24 -0.03 5.22 -0.71 -0.59 -5.00 117.98 117.23 1dvu s PHE 95 Ca -0.10 0.02 -0.19 0.00 -1.04 0.00 0.00 56.93 55.61 1dvu s PHE 95 Cb -0.16 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 1dvu s PHE 95 CO 0.03 -0.66 0.55 0.99 -1.34 0.00 0.00 175.22 174.79 1dvu s THR 96 N -3.36 4.98 0.09 -4.49 2.01 -1.26 -0.63 115.64 112.98 1dvu s THR 96 Ca 0.00 1.13 0.10 0.00 0.31 0.00 0.00 61.69 63.23 1dvu s THR 96 Cb 0.01 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1dvu s THR 96 CO -0.09 0.42 -0.25 0.00 -0.69 0.00 0.00 174.62 174.01 1dvu s ALA 97 N -0.15 2.19 -1.30 7.40 0.00 0.52 -4.79 121.76 125.64 1dvu s ALA 97 Ca 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1dvu s ALA 97 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1dvu s ALA 97 CO 0.15 0.50 0.00 0.09 0.00 0.00 0.00 175.76 176.50 1dvu n ASN 98 N 1.29 -4.23 0.27 0.00 3.02 -1.26 -2.40 115.26 111.95 1dvu n ASN 98 Ca -0.18 0.20 0.14 0.00 -0.03 0.00 0.00 54.58 54.71 1dvu n ASN 98 Cb 0.53 -3.65 0.75 0.00 -0.61 0.00 0.00 39.78 36.80 1dvu n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1dvu h ASP 99 N 0.00 0.00 0.00 6.41 -0.00 -1.92 -2.72 116.42 118.19 1dvu h ASP 99 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.69 1dvu h ASP 99 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.48 1dvu h ASP 99 CO 0.41 0.10 -0.46 -1.54 -0.00 0.00 0.00 179.24 177.75 1dvu n SER 100 N -3.46 1.74 0.00 4.15 3.41 -1.26 -5.08 113.62 113.12 1dvu n SER 100 Ca -0.01 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1dvu n SER 100 Cb 0.25 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1dvu n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvu n GLY 101 N -1.05 2.77 3.74 5.00 0.00 -1.03 -5.04 105.19 109.57 1dvu n GLY 101 Ca 0.18 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1dvu n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dvu s PRO 102 N -2.45 4.24 0.18 1.61 0.04 -1.26 -4.24 135.00 133.12 1dvu s PRO 102 Ca 0.00 2.34 0.03 0.00 0.04 0.00 0.00 61.00 63.41 1dvu s PRO 102 Cb 0.00 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1dvu s PRO 102 CO 0.00 -0.49 -0.02 1.03 0.04 0.00 0.00 177.00 177.56 1dvu s ARG 103 N 0.07 1.15 -0.19 4.56 1.81 -1.26 -4.88 118.95 120.22 1dvu s ARG 103 Ca 0.63 -1.55 -0.06 0.00 -1.72 0.00 0.00 55.73 53.02 1dvu s ARG 103 Cb -0.43 -0.42 -0.03 0.00 -0.45 0.00 0.00 34.95 33.62 1dvu s ARG 103 CO 0.40 -0.08 0.03 1.03 -0.68 0.00 0.00 175.30 176.00 1dvu s ARG 104 N -3.87 3.81 -0.12 3.54 1.81 0.47 -4.84 118.95 119.75 1dvu s ARG 104 Ca 0.23 -0.43 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 1dvu s ARG 104 Cb 0.05 -3.14 -0.01 0.00 -0.45 0.00 0.00 34.95 31.41 1dvu s ARG 104 CO 0.04 0.17 -0.19 0.71 -0.68 0.00 0.00 175.30 175.35 1dvu s TYR 105 N 0.62 2.69 -0.22 -0.53 1.51 0.12 -1.55 117.35 119.99 1dvu s TYR 105 Ca 0.01 -0.91 -0.02 0.00 -1.01 0.00 0.00 57.07 55.15 1dvu s TYR 105 Cb -0.13 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1dvu s TYR 105 CO 0.02 -0.36 -0.10 0.99 -1.11 0.00 0.00 175.55 174.99 1dvu s THR 106 N 0.43 2.79 -0.27 -0.71 2.01 -0.42 -0.74 115.64 118.72 1dvu s THR 106 Ca -0.14 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 1dvu s THR 106 Cb -0.17 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1dvu s THR 106 CO 0.06 0.38 0.07 -0.63 -0.69 0.00 0.00 174.62 173.81 1dvu s ILE 107 N 1.37 4.09 0.01 1.82 -1.09 0.50 -1.36 121.20 126.53 1dvu s ILE 107 Ca 0.04 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.05 1dvu s ILE 107 Cb -0.15 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 1dvu s ILE 107 CO -0.07 0.21 -0.12 0.00 -1.23 0.00 0.00 174.94 173.73 1dvu s ALA 108 N 1.55 2.80 -0.07 9.38 0.00 -0.05 -0.45 121.76 134.93 1dvu s ALA 108 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1dvu s ALA 108 Cb -0.16 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1dvu s ALA 108 CO 0.03 0.59 -0.08 0.00 0.00 0.00 0.00 175.76 176.29 1dvu s ALA 109 N -0.92 1.09 -0.29 0.00 0.00 0.15 -0.89 121.76 120.90 1dvu s ALA 109 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 1dvu s ALA 109 Cb -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1dvu s ALA 109 CO 0.05 -0.07 0.11 -1.17 0.00 0.00 0.00 175.76 174.68 1dvu s LEU 110 N 1.04 3.81 -0.11 0.00 2.96 0.10 -0.97 118.68 125.51 1dvu s LEU 110 Ca -0.08 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1dvu s LEU 110 Cb -0.14 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1dvu s LEU 110 CO -0.00 -0.14 0.03 -0.76 -1.32 0.00 0.00 176.35 174.16 1dvu s LEU 111 N 1.59 3.74 0.05 -0.68 1.43 0.12 -1.75 118.68 123.19 1dvu s LEU 111 Ca 0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1dvu s LEU 111 Cb -0.16 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1dvu s LEU 111 CO 0.04 0.35 -0.05 -0.44 0.23 0.00 0.00 176.35 176.48 1dvu s SER 112 N -0.69 0.68 0.27 2.29 0.01 0.45 -0.94 113.70 115.78 1dvu s SER 112 Ca 0.11 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1dvu s SER 112 Cb -0.12 0.11 0.56 0.00 0.21 0.00 0.00 66.02 66.78 1dvu s SER 112 CO 0.02 -0.40 1.78 -0.65 0.41 0.00 0.00 173.24 174.40 1dvu h PRO 113 N 3.80 0.68 -0.20 12.44 0.11 -1.99 -2.87 132.00 143.97 1dvu h PRO 113 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1dvu h PRO 113 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dvu h PRO 113 CO 0.53 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 1dvu n TYR 114 N -4.82 0.52 -3.53 0.65 4.02 -1.26 -1.36 117.16 111.38 1dvu n TYR 114 Ca 0.18 -0.76 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 1dvu n TYR 114 Cb 0.43 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.52 1dvu n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvu s SER 115 N -1.75 -0.64 -0.00 7.72 0.15 -1.08 -4.97 113.70 113.13 1dvu s SER 115 Ca 0.30 0.73 -0.21 0.00 0.70 0.00 0.00 55.95 57.48 1dvu s SER 115 Cb 0.23 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.15 1dvu s SER 115 CO 0.08 -0.56 0.45 -0.72 1.20 0.00 0.00 173.24 173.69 1dvu s TYR 116 N -1.09 -0.35 0.09 3.44 -0.85 -1.26 -0.41 117.35 116.93 1dvu s TYR 116 Ca -0.09 0.50 0.07 0.00 -0.52 0.00 0.00 57.07 57.03 1dvu s TYR 116 Cb -0.00 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 1dvu s TYR 116 CO 0.09 -0.52 -0.19 -1.54 -1.52 0.00 0.00 175.55 171.87 1dvu s SER 117 N -1.52 2.29 -0.02 -0.18 1.04 -0.72 -4.97 113.70 109.63 1dvu s SER 117 Ca -0.10 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1dvu s SER 117 Cb -0.02 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1dvu s SER 117 CO 0.04 0.02 -0.06 0.28 0.98 0.00 0.00 173.24 174.49 1dvu s THR 118 N -1.22 0.56 0.08 2.02 -1.32 -1.26 -0.73 115.64 113.77 1dvu s THR 118 Ca 0.04 -0.23 0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1dvu s THR 118 Cb -0.10 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.34 1dvu s THR 118 CO 0.04 0.19 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.61 1dvu s THR 119 N 0.28 1.06 -0.03 5.08 2.01 -0.07 -4.98 115.64 118.98 1dvu s THR 119 Ca -0.04 -1.37 0.06 0.00 0.31 0.00 0.00 61.69 60.65 1dvu s THR 119 Cb -0.08 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 1dvu s THR 119 CO 0.00 -0.30 -0.20 0.00 -0.69 0.00 0.00 174.62 173.43 1dvu s ALA 120 N -1.51 1.76 -0.16 7.40 0.00 -1.26 -0.87 121.76 127.11 1dvu s ALA 120 Ca -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1dvu s ALA 120 Cb -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1dvu s ALA 120 CO 0.02 0.37 -0.19 0.08 0.00 0.00 0.00 175.76 176.04 1dvu s VAL 121 N -0.23 2.23 -0.11 0.00 1.01 -0.46 -4.99 120.40 117.84 1dvu s VAL 121 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1dvu s VAL 121 Cb -0.11 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1dvu s VAL 121 CO 0.01 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.74 1dvu s VAL 122 N 1.04 2.22 0.31 2.92 1.01 -1.26 -1.30 120.40 125.33 1dvu s VAL 122 Ca -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1dvu s VAL 122 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1dvu s VAL 122 CO -0.06 0.55 0.12 0.42 0.00 0.00 0.00 175.10 176.13 1dvu s THR 123 N 0.43 0.56 -2.62 3.92 -4.23 -0.60 -4.97 115.64 108.13 1dvu s THR 123 Ca -0.16 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.62 1dvu s THR 123 Cb -0.17 -2.57 0.47 0.00 1.34 0.00 0.00 72.50 71.57 1dvu s THR 123 CO 0.07 0.00 1.63 0.59 -0.54 0.00 0.00 174.62 176.37