#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua n ASN 2 N 0.00 -0.10 -2.61 3.17 4.05 -1.26 -4.93 115.26 113.59 1yua n ASN 2 Ca 0.00 -1.74 -0.37 0.00 0.45 0.00 0.00 54.58 52.92 1yua n ASN 2 Cb 0.00 -0.01 0.06 0.00 1.23 0.00 0.00 39.78 41.06 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1yua n GLY 3 N 0.12 5.73 3.59 8.20 0.00 -1.26 -4.97 105.19 116.60 1yua n GLY 3 Ca -0.08 -2.42 -0.41 0.00 0.00 0.00 0.00 46.02 43.11 1yua n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yua s GLU 4 N -3.93 2.98 -0.55 1.61 2.02 -1.26 -4.86 118.70 114.71 1yua s GLU 4 Ca 0.58 1.53 0.06 0.00 0.02 0.00 0.00 54.97 57.17 1yua s GLU 4 Cb 0.47 -4.34 0.31 0.00 0.10 0.00 0.00 34.13 30.67 1yua s GLU 4 CO -0.21 -2.28 0.84 1.33 0.02 0.00 0.00 175.26 174.96 1yua n VAL 5 N 7.60 2.17 -2.84 2.63 0.24 -1.26 -4.91 118.33 121.96 1yua n VAL 5 Ca 0.27 -5.24 -0.02 0.00 -2.04 0.00 0.00 64.34 57.31 1yua n VAL 5 Cb 0.48 -1.45 0.01 0.00 -1.47 0.00 0.00 33.84 31.41 1yua n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yua n ALA 6 N 0.22 -2.32 -0.56 2.33 0.00 -1.26 -4.96 120.51 113.96 1yua n ALA 6 Ca 0.29 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 1yua n ALA 6 Cb 0.44 -1.81 0.16 0.00 0.00 0.00 0.00 19.45 18.24 1yua n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 7 N -1.84 -2.18 0.27 0.00 -0.02 -1.26 -4.69 135.00 125.27 1yua n PRO 7 Ca -0.01 -0.64 0.14 0.00 -2.02 0.00 0.00 63.50 60.97 1yua n PRO 7 Cb 0.51 -1.53 0.66 0.00 -0.02 0.00 0.00 33.50 33.13 1yua n PRO 7 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1yua h PRO 8 N -2.54 0.00 -6.28 0.52 0.11 -2.05 -3.38 132.00 118.37 1yua h PRO 8 Ca -0.32 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.22 1yua h PRO 8 Cb 0.95 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1yua h PRO 8 CO 0.21 0.00 1.25 0.21 -0.21 0.00 0.00 178.00 179.47 1yua s LYS 9 N -4.18 3.31 -0.06 1.05 2.47 -1.26 -4.91 119.74 116.15 1yua s LYS 9 Ca -0.03 1.29 -0.30 0.00 -1.56 0.00 0.00 55.97 55.37 1yua s LYS 9 Cb 0.09 -4.19 0.11 0.00 -1.46 0.00 0.00 37.83 32.38 1yua s LYS 9 CO 0.29 -1.89 0.93 -1.21 0.16 0.00 0.00 175.35 173.63 1yua s GLU 10 N 5.68 0.73 -0.56 4.03 8.01 -1.26 -5.01 118.70 130.33 1yua s GLU 10 Ca 0.76 -0.15 0.07 0.00 0.01 0.00 0.00 54.97 55.66 1yua s GLU 10 Cb -0.20 0.34 0.27 0.00 -4.31 0.00 0.00 34.13 30.22 1yua s GLU 10 CO 0.32 -0.30 0.72 -0.25 0.01 0.00 0.00 175.26 175.77 1yua n ASP 11 N 0.07 2.84 -3.03 -0.19 8.00 -1.26 -5.07 116.55 117.91 1yua n ASP 11 Ca -0.09 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.14 1yua n ASP 11 Cb 0.60 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yua n PRO 12 N 0.81 0.88 -3.79 -0.24 -0.04 -1.26 -5.00 135.00 126.35 1yua n PRO 12 Ca 0.28 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1yua n PRO 12 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 1yua n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yua s VAL 13 N -0.10 3.49 0.06 0.52 1.01 -0.81 -4.85 120.40 119.72 1yua s VAL 13 Ca 0.00 -4.08 -0.37 0.00 0.00 0.00 0.00 61.98 57.52 1yua s VAL 13 Cb 0.00 -3.23 -0.17 0.00 0.00 0.00 0.00 36.38 32.98 1yua s VAL 13 CO 0.00 -1.03 1.31 -2.65 0.00 0.00 0.00 175.10 172.73 1yua n PRO 14 N 2.15 0.97 -2.48 2.72 -0.02 -1.26 -1.75 135.00 135.33 1yua n PRO 14 Ca 0.20 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.76 1yua n PRO 14 Cb 0.36 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1yua n PRO 14 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yua n LEU 15 N 2.44 4.67 -0.30 2.45 4.77 0.25 -4.86 117.00 126.42 1yua n LEU 15 Ca 0.19 -5.20 0.21 0.00 -0.03 0.00 0.00 56.01 51.18 1yua n LEU 15 Cb 0.17 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.21 1yua n LEU 15 CO 0.63 2.23 0.84 -2.65 -1.33 0.00 0.00 177.39 177.10 1yua n PRO 16 N -0.48 -0.06 -0.27 3.23 -0.02 -1.26 0.44 135.00 136.58 1yua n PRO 16 Ca 0.39 1.30 -0.01 0.00 -2.02 0.00 0.00 63.50 63.16 1yua n PRO 16 Cb 0.66 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1yua n PRO 16 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 17 N 0.00 -0.06 -5.74 -0.52 4.22 -1.97 -3.30 114.58 107.21 1yua h GLU 17 Ca 0.66 0.00 -0.61 0.00 0.08 0.00 0.00 59.36 59.49 1yua h GLU 17 Cb 1.57 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.73 1yua h GLU 17 CO -0.77 -0.04 0.35 -1.17 -2.18 0.00 0.00 179.01 175.20 1yua s LEU 18 N -10.90 4.12 0.75 1.64 2.96 0.17 -5.03 118.68 112.39 1yua s LEU 18 Ca -0.14 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 1yua s LEU 18 Cb 0.20 -3.01 0.04 0.00 0.50 0.00 0.00 46.19 43.92 1yua s LEU 18 CO 0.72 -0.67 1.10 -2.16 -1.32 0.00 0.00 176.35 174.03 1yua s PRO 19 N 2.99 2.34 0.00 0.98 0.04 -1.24 -2.51 135.00 137.59 1yua s PRO 19 Ca 0.31 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1yua s PRO 19 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1yua s PRO 19 CO 0.15 -1.59 0.00 0.00 0.04 0.00 0.00 177.00 175.60 1yua n GLU 21 N 0.00 0.00 -0.85 0.00 1.02 -1.26 -4.72 120.64 114.83 1yua n GLU 21 Ca 0.00 0.39 -0.05 0.00 -0.02 0.00 0.00 57.16 57.48 1yua n GLU 21 Cb 0.00 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 1yua n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yua n LYS 22 N -1.25 0.00 0.00 3.49 4.76 -1.26 -5.14 118.16 118.76 1yua n LYS 22 Ca 0.00 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.73 1yua n LYS 22 Cb 0.00 0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yua n SER 23 N 0.00 1.31 -1.03 4.39 2.88 -1.26 -4.99 113.62 114.92 1yua n SER 23 Ca -0.20 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.37 1yua n SER 23 Cb 0.58 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.20 1yua n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1yua n ASP 24 N 0.00 2.83 -4.77 -3.46 9.92 -1.26 -4.76 116.55 115.05 1yua n ASP 24 Ca 0.00 -2.35 -0.23 0.00 -0.53 0.00 0.00 54.79 51.68 1yua n ASP 24 Cb 0.00 -0.55 0.09 0.00 -0.64 0.00 0.00 41.12 40.02 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 25 N -1.70 3.65 0.00 2.24 0.00 -1.26 -5.00 121.76 119.68 1yua s ALA 25 Ca 0.22 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1yua s ALA 25 Cb 0.16 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1yua s ALA 25 CO 0.07 -1.28 0.00 2.48 0.00 0.00 0.00 175.76 177.03 1yua n TYR 26 N -2.74 -0.04 -3.41 0.00 4.11 -1.26 -2.85 117.16 110.97 1yua n TYR 26 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.59 1yua n TYR 26 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.93 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1yua s PHE 27 N -1.92 4.17 -0.46 -3.48 0.08 -1.05 -1.26 117.98 114.07 1yua s PHE 27 Ca 0.00 -2.75 -0.29 0.00 0.12 0.00 0.00 56.93 54.02 1yua s PHE 27 Cb 0.00 -3.70 0.03 0.00 -0.57 0.00 0.00 43.02 38.78 1yua s PHE 27 CO 0.00 -0.90 1.10 0.08 -0.10 0.00 0.00 175.22 175.40 1yua s VAL 28 N -1.23 4.28 -0.37 -0.44 1.01 -0.52 -0.58 120.40 122.55 1yua s VAL 28 Ca 0.29 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 1yua s VAL 28 Cb -0.09 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1yua s VAL 28 CO -0.09 -0.92 2.05 -0.22 0.00 0.00 0.00 175.10 175.92 1yua s LEU 29 N 4.26 3.43 0.00 3.92 0.20 -0.72 -2.66 118.68 127.12 1yua s LEU 29 Ca 0.46 1.29 0.02 0.00 0.69 0.00 0.00 54.13 56.59 1yua s LEU 29 Cb -0.08 -3.17 0.03 0.00 -0.43 0.00 0.00 46.19 42.53 1yua s LEU 29 CO 0.29 -2.11 0.21 0.54 -0.29 0.00 0.00 176.35 174.99 1yua n ARG 30 N 8.75 0.81 -3.70 1.98 1.74 0.01 -1.92 116.66 124.33 1yua n ARG 30 Ca 0.27 -0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 56.29 1yua n ARG 30 Cb 0.49 -0.08 -0.15 0.00 -1.02 0.00 0.00 32.46 31.69 1yua n ARG 30 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1yua s ASP 31 N -1.93 3.63 0.00 0.55 -4.77 -1.26 -2.07 116.67 110.81 1yua s ASP 31 Ca 0.16 -1.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.06 1yua s ASP 31 Cb -0.01 -0.69 0.00 0.00 -1.09 0.00 0.00 42.92 41.13 1yua s ASP 31 CO 0.10 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1yua n GLY 32 N 4.98 -1.13 3.53 2.12 0.00 -1.21 -4.89 105.19 108.60 1yua n GLY 32 Ca -0.05 0.37 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua n ALA 33 N 0.00 0.67 -4.14 4.61 0.00 -1.26 -2.55 120.51 117.84 1yua n ALA 33 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.01 1yua n ALA 33 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.49 1yua n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yua n ALA 34 N 13.12 -2.06 0.00 0.00 0.00 -1.26 -4.52 120.51 125.79 1yua n ALA 34 Ca 0.56 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1yua n ALA 34 Cb 0.31 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1yua n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yua n GLY 35 N -2.30 0.43 3.17 0.00 0.00 -1.06 -4.75 105.19 100.68 1yua n GLY 35 Ca -0.31 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 1yua n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yua n VAL 36 N 0.55 0.00 -3.58 1.61 3.14 -1.26 -3.30 118.33 115.49 1yua n VAL 36 Ca 0.00 -0.34 0.02 0.00 -2.96 0.00 0.00 64.34 61.06 1yua n VAL 36 Cb 0.00 -0.27 -0.01 0.00 -1.06 0.00 0.00 33.84 32.51 1yua n VAL 36 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1yua s PHE 37 N -2.16 -0.01 -0.65 1.45 -0.71 -0.88 -4.75 117.98 110.27 1yua s PHE 37 Ca 0.47 -0.00 -0.13 0.00 -1.04 0.00 0.00 56.93 56.23 1yua s PHE 37 Cb -0.17 0.50 0.17 0.00 -1.21 0.00 0.00 43.02 42.31 1yua s PHE 37 CO 0.75 -0.03 0.57 -0.51 -1.34 0.00 0.00 175.22 174.66 1yua s LEU 38 N -2.71 6.25 0.16 -1.99 1.43 -1.01 -0.81 118.68 120.00 1yua s LEU 38 Ca 0.14 -2.25 -0.03 0.00 -1.03 0.00 0.00 54.13 50.96 1yua s LEU 38 Cb 0.05 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1yua s LEU 38 CO -0.05 -0.68 0.38 0.00 0.23 0.00 0.00 176.35 176.22 1yua s ALA 39 N 0.87 3.81 0.30 4.21 0.00 -1.09 -3.90 121.76 125.96 1yua s ALA 39 Ca 0.10 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 1yua s ALA 39 Cb -0.21 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 1yua s ALA 39 CO -0.03 0.59 1.16 0.00 0.00 0.00 0.00 175.76 177.49 1yua s ALA 40 N -1.73 3.42 -1.49 0.00 0.00 -1.26 -1.44 121.76 119.27 1yua s ALA 40 Ca 0.40 1.00 0.15 0.00 0.00 0.00 0.00 51.96 53.52 1yua s ALA 40 Cb -0.12 -3.37 0.79 0.00 0.00 0.00 0.00 23.12 20.42 1yua s ALA 40 CO 0.26 -0.32 1.42 -1.71 0.00 0.00 0.00 175.76 175.42 1yua n ASN 41 N 1.01 0.00 -0.36 0.00 2.85 -0.39 -1.68 115.26 116.69 1yua n ASN 41 Ca -0.01 0.01 0.13 0.00 -0.11 0.00 0.00 54.58 54.61 1yua n ASN 41 Cb 0.44 -0.26 0.36 0.00 1.24 0.00 0.00 39.78 41.56 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1yua n THR 42 N -1.26 0.00 -1.32 -0.44 -2.24 -1.26 -4.91 114.28 102.85 1yua n THR 42 Ca 0.08 -0.19 -0.45 0.00 -2.27 0.00 0.00 64.05 61.22 1yua n THR 42 Cb 0.11 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1yua n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1yua n PHE 43 N -0.30 -0.77 1.15 4.78 -0.00 -0.68 -0.47 117.46 121.16 1yua n PHE 43 Ca 0.14 0.87 0.14 0.00 -0.00 0.00 0.00 57.45 58.60 1yua n PHE 43 Cb 0.37 -1.85 0.66 0.00 -0.00 0.00 0.00 39.48 38.66 1yua n PHE 43 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1yua n PRO 44 N 1.02 0.15 -0.38 -7.13 -0.04 -1.26 -4.80 135.00 122.56 1yua n PRO 44 Ca 0.16 -0.00 0.37 0.00 -0.04 0.00 0.00 63.50 63.99 1yua n PRO 44 Cb 0.27 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 32.87 1yua n PRO 44 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1yua h LYS 45 N 0.01 0.00 -4.03 0.54 3.64 -1.17 -3.17 116.57 112.39 1yua h LYS 45 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1yua h LYS 45 Cb 0.43 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.85 1yua h LYS 45 CO 0.00 0.00 -0.75 0.45 -2.27 0.00 0.00 179.45 176.88 1yua s SER 46 N -3.95 4.10 -0.14 4.20 0.15 -1.24 -4.95 113.70 111.86 1yua s SER 46 Ca -0.04 -1.60 0.06 0.00 0.70 0.00 0.00 55.95 55.07 1yua s SER 46 Cb 0.20 -1.11 0.38 0.00 -1.71 0.00 0.00 66.02 63.77 1yua s SER 46 CO 0.67 -0.36 1.19 0.54 1.20 0.00 0.00 173.24 176.48 1yua n ARG 47 N 4.67 2.58 -2.02 5.44 1.74 -1.20 -4.20 116.66 123.67 1yua n ARG 47 Ca -0.03 -1.50 -0.42 0.00 -0.77 0.00 0.00 57.85 55.12 1yua n ARG 47 Cb 0.43 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1yua n ARG 47 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yua n GLU 48 N 0.16 3.10 -4.25 5.56 1.02 -1.26 -4.91 120.64 120.06 1yua n GLU 48 Ca 0.17 -2.95 -0.21 0.00 -0.02 0.00 0.00 57.16 54.15 1yua n GLU 48 Cb 0.80 -3.21 -0.12 0.00 -0.02 0.00 0.00 31.44 28.89 1yua n GLU 48 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1yua s THR 49 N 2.52 1.48 -3.49 2.62 -4.23 -1.26 -4.12 115.64 109.15 1yua s THR 49 Ca 0.46 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1yua s THR 49 Cb 0.11 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1yua s THR 49 CO -0.05 -0.21 0.00 -2.11 -0.54 0.00 0.00 174.62 171.72 1yua n ARG 50 N 0.94 -1.48 -2.13 3.99 1.85 -1.25 -4.96 116.66 113.62 1yua n ARG 50 Ca -0.18 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.27 1yua n ARG 50 Cb 0.55 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.94 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yua s ALA 51 N -1.00 3.34 0.11 2.89 0.00 -1.26 -2.41 121.76 123.43 1yua s ALA 51 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1yua s ALA 51 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1yua s ALA 51 CO 0.00 -0.68 1.07 -1.25 0.00 0.00 0.00 175.76 174.90 1yua s PRO 52 N -2.05 4.59 0.57 0.00 0.04 -1.26 -4.50 135.00 132.39 1yua s PRO 52 Ca 0.53 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 1yua s PRO 52 Cb -0.37 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1yua s PRO 52 CO 0.48 0.03 1.13 1.28 0.04 0.00 0.00 177.00 179.96 1yua n LEU 53 N 2.99 4.42 -0.03 -3.56 4.77 -1.26 -1.84 117.00 122.49 1yua n LEU 53 Ca 0.04 0.88 0.02 0.00 -0.03 0.00 0.00 56.01 56.92 1yua n LEU 53 Cb 0.48 -1.46 0.34 0.00 -2.33 0.00 0.00 43.42 40.45 1yua n LEU 53 CO 0.53 -1.33 1.07 0.58 -1.33 0.00 0.00 177.39 176.90 1yua h VAL 54 N 0.88 1.16 0.00 4.08 2.07 -1.70 -0.89 116.25 121.84 1yua h VAL 54 Ca -0.49 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.43 1yua h VAL 54 Cb 1.34 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1yua h VAL 54 CO 0.54 0.19 -0.59 1.05 0.02 0.00 0.00 177.57 178.78 1yua h GLU 55 N 0.59 0.00 -0.01 1.57 4.11 -1.84 -2.69 114.58 116.31 1yua h GLU 55 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.45 1yua h GLU 55 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1yua h GLU 55 CO -0.02 0.59 -0.58 1.49 0.07 0.00 0.00 179.01 180.56 1yua h GLU 56 N 0.00 0.04 -0.12 1.06 4.81 -1.53 -1.79 114.58 117.05 1yua h GLU 56 Ca -0.01 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1yua h GLU 56 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1yua h GLU 56 CO 0.08 0.61 -0.46 1.25 -0.73 0.00 0.00 179.01 179.76 1yua h LEU 57 N 0.03 0.61 -0.49 1.64 7.12 -1.13 -2.24 115.31 120.85 1yua h LEU 57 Ca -0.01 -0.62 -0.05 0.00 0.13 0.00 0.00 57.88 57.33 1yua h LEU 57 Cb 1.04 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 1yua h LEU 57 CO 0.08 1.13 0.11 0.22 -0.13 0.00 0.00 178.44 179.85 1yua h TYR 58 N 0.12 0.82 -0.23 1.25 3.20 -1.41 -0.75 116.97 119.97 1yua h TYR 58 Ca -0.02 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 1yua h TYR 58 Cb 1.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1yua h TYR 58 CO 0.11 0.74 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.27 1yua h ARG 59 N 0.67 0.35 -0.79 1.82 2.43 -1.35 -1.57 114.38 115.94 1yua h ARG 59 Ca 0.15 -0.06 -0.31 0.00 -0.81 0.00 0.00 59.98 58.95 1yua h ARG 59 Cb 0.34 -0.06 -0.19 0.00 -0.42 0.00 0.00 29.97 29.64 1yua h ARG 59 CO 0.00 0.39 0.38 1.19 -1.51 0.00 0.00 179.97 180.41 1yua n PHE 60 N -4.34 2.56 0.22 2.20 3.01 -0.84 -4.51 117.46 115.76 1yua n PHE 60 Ca 0.00 -1.44 0.07 0.00 1.01 0.00 0.00 57.45 57.10 1yua n PHE 60 Cb 0.21 -0.76 0.59 0.00 -0.01 0.00 0.00 39.48 39.51 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1yua h ARG 61 N 2.00 0.07 0.00 -1.08 2.43 -0.09 -0.22 114.38 117.50 1yua h ARG 61 Ca 0.38 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1yua h ARG 61 Cb 2.46 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.99 1yua h ARG 61 CO 0.83 0.08 -0.20 0.22 -1.51 0.00 0.00 179.97 179.39 1yua h ASP 62 N 0.08 0.00 -0.58 -3.80 1.82 -1.82 -1.68 116.42 110.44 1yua h ASP 62 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1yua h ASP 62 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1yua h ASP 62 CO -0.00 0.20 0.00 0.54 -1.61 0.00 0.00 179.24 178.37 1yua n ARG 63 N -4.04 2.93 -2.09 0.28 1.74 -0.18 -4.95 116.66 110.34 1yua n ARG 63 Ca -0.02 -2.50 -0.42 0.00 -0.77 0.00 0.00 57.85 54.13 1yua n ARG 63 Cb 0.27 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 1yua n ARG 63 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1yua s LEU 64 N -1.18 4.31 0.00 0.55 0.20 -0.63 -4.85 118.68 117.07 1yua s LEU 64 Ca 0.41 2.18 0.00 0.00 0.69 0.00 0.00 54.13 57.40 1yua s LEU 64 Cb 0.22 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.44 1yua s LEU 64 CO 0.25 -0.86 0.78 -0.81 -0.29 0.00 0.00 176.35 175.43 1yua n PRO 65 N 6.52 0.82 0.00 0.98 -0.04 -1.26 -4.85 135.00 137.17 1yua n PRO 65 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1yua n PRO 65 Cb 0.43 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 66 N -0.44 0.00 0.00 0.54 2.13 -1.26 -4.72 120.64 116.89 1yua n GLU 66 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1yua n GLU 66 Cb 0.02 -1.23 0.22 0.00 0.27 0.00 0.00 31.44 30.72 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 67 N -0.69 0.54 -0.30 5.31 4.81 -1.26 -2.60 118.16 123.97 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1yua n LYS 67 Cb 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1yua n LYS 67 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1yua n LEU 68 N -0.72 0.00 0.08 3.14 -0.00 -1.26 -4.93 117.00 113.32 1yua n LEU 68 Ca 0.06 -0.68 -0.12 0.00 -0.00 0.00 0.00 56.01 55.27 1yua n LEU 68 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.39 1yua n LEU 68 CO 0.04 0.42 0.76 -0.09 -0.00 0.00 0.00 177.39 178.53 1yua h ARG 69 N 0.00 -0.27 -1.13 1.47 1.12 -1.88 -1.18 114.38 112.52 1yua h ARG 69 Ca 0.00 0.02 0.37 0.00 -1.11 0.00 0.00 59.98 59.26 1yua h ARG 69 Cb 1.14 0.06 -0.14 0.00 -0.01 0.00 0.00 29.97 31.02 1yua h ARG 69 CO 0.00 -0.18 0.68 0.10 -3.11 0.00 0.00 179.97 177.46 1yua h TYR 70 N -0.28 0.73 -0.29 2.20 -0.00 -1.92 0.81 116.97 118.22 1yua h TYR 70 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 58.73 58.74 1yua h TYR 70 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 36.85 1yua h TYR 70 CO -0.18 -0.20 -0.04 -0.07 -0.00 0.00 0.00 178.16 177.68 1yua h LEU 71 N 0.20 0.53 -0.25 0.10 3.38 -1.61 -1.36 115.31 116.30 1yua h LEU 71 Ca 0.76 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1yua h LEU 71 Cb 2.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1yua h LEU 71 CO -0.52 0.75 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1yua n ALA 72 N -2.38 1.33 -0.05 1.53 0.00 0.27 -1.55 120.51 119.65 1yua n ALA 72 Ca -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1yua n ALA 72 Cb 0.29 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 1yua n ALA 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yua n ASP 73 N -1.67 0.44 -4.56 0.00 9.92 -0.46 -4.52 116.55 115.70 1yua n ASP 73 Ca 0.01 0.20 -0.32 0.00 -0.53 0.00 0.00 54.79 54.16 1yua n ASP 73 Cb 0.09 0.56 0.15 0.00 -0.64 0.00 0.00 41.12 41.28 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua n ALA 74 N -2.60 -1.61 -1.02 2.24 0.00 -0.60 -4.89 120.51 112.03 1yua n ALA 74 Ca -0.22 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 1yua n ALA 74 Cb 1.04 -2.02 0.09 0.00 0.00 0.00 0.00 19.45 18.55 1yua n ALA 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 75 N -3.16 -0.01 -2.36 0.00 -0.02 -1.26 -4.95 135.00 123.24 1yua n PRO 75 Ca 0.10 0.04 -0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1yua n PRO 75 Cb 0.53 -1.74 0.04 0.00 -0.02 0.00 0.00 33.50 32.31 1yua n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLN 76 N -0.82 1.39 0.00 -0.52 10.64 -1.26 -4.72 117.38 122.09 1yua n GLN 76 Ca 0.07 -3.14 0.00 0.00 -1.83 0.00 0.00 57.00 52.10 1yua n GLN 76 Cb 0.52 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 1yua n GLN 76 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1yua n GLN 77 N -0.32 0.00 0.00 2.61 6.02 -1.26 -2.39 117.38 122.03 1yua n GLN 77 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1yua n GLN 77 Cb 0.90 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.16 1yua n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1yua n ASP 78 N -0.01 0.00 -0.50 1.08 5.75 -1.26 -1.92 116.55 119.69 1yua n ASP 78 Ca 0.00 0.00 0.43 0.00 -0.01 0.00 0.00 54.79 55.21 1yua n ASP 78 Cb 0.00 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 40.87 1yua n ASP 78 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1yua h PRO 79 N 0.00 0.01 0.00 0.11 0.11 -2.02 -2.94 132.00 127.27 1yua h PRO 79 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yua h PRO 79 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yua h PRO 79 CO 0.00 0.01 -0.01 1.49 -0.21 0.00 0.00 178.00 179.28 1yua h GLU 80 N 0.01 0.00 0.00 1.05 4.22 -2.04 -3.50 114.58 114.33 1yua h GLU 80 Ca 0.75 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.19 1yua h GLU 80 Cb 2.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.21 1yua h GLU 80 CO -0.03 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.21 1yua n GLY 81 N 1.76 0.00 1.61 1.92 0.00 -1.11 -5.02 105.19 104.35 1yua n GLY 81 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1yua n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yua n ASN 82 N 0.00 3.50 -1.80 1.61 0.23 -0.81 -4.98 115.26 113.01 1yua n ASN 82 Ca 0.00 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.22 1yua n ASN 82 Cb 0.00 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.03 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1yua n LYS 83 N -0.26 -5.13 -4.35 -3.83 5.02 -1.22 -3.36 118.16 105.04 1yua n LYS 83 Ca 0.30 3.78 -0.23 0.00 -2.02 0.00 0.00 58.31 60.15 1yua n LYS 83 Cb 1.09 -4.23 -0.17 0.00 -0.02 0.00 0.00 35.03 31.70 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1yua s THR 84 N -3.10 0.87 0.49 -0.18 2.01 -1.01 -0.86 115.64 113.87 1yua s THR 84 Ca 0.00 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.74 1yua s THR 84 Cb 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.73 1yua s THR 84 CO 0.00 0.30 0.43 1.15 -0.69 0.00 0.00 174.62 175.81 1yua n MET 85 N 4.01 0.75 -3.15 4.92 0.00 -0.99 -2.29 117.12 120.37 1yua n MET 85 Ca -0.23 -2.96 -0.24 0.00 0.00 0.00 0.00 57.70 54.28 1yua n MET 85 Cb 0.51 0.21 -0.00 0.00 0.00 0.00 0.00 33.22 33.95 1yua n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1yua s VAL 86 N -2.35 4.58 0.29 3.17 1.01 -0.77 -1.41 120.40 124.92 1yua s VAL 86 Ca 0.33 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1yua s VAL 86 Cb -0.03 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1yua s VAL 86 CO 0.21 -0.47 0.32 0.54 0.00 0.00 0.00 175.10 175.69 1yua n ARG 87 N -1.95 0.46 -3.80 2.72 5.12 0.24 -4.44 116.66 115.00 1yua n ARG 87 Ca -0.02 -2.67 -0.12 0.00 -1.93 0.00 0.00 57.85 53.11 1yua n ARG 87 Cb 0.57 2.33 -0.12 0.00 -1.16 0.00 0.00 32.46 34.08 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -3.17 -0.21 -0.08 -1.55 2.19 -1.26 -2.25 117.98 111.64 1yua s PHE 88 Ca 0.30 0.50 0.04 0.00 0.33 0.00 0.00 56.93 58.11 1yua s PHE 88 Cb 0.01 0.07 -0.01 0.00 -1.31 0.00 0.00 43.02 41.78 1yua s PHE 88 CO 0.22 -0.13 -0.22 -1.12 1.83 0.00 0.00 175.22 175.79 1yua s SER 89 N -0.05 3.28 0.15 6.13 0.01 -1.01 -4.92 113.70 117.29 1yua s SER 89 Ca -0.02 -0.48 0.23 0.00 1.31 0.00 0.00 55.95 57.00 1yua s SER 89 Cb -0.02 -1.15 0.20 0.00 0.21 0.00 0.00 66.02 65.26 1yua s SER 89 CO 0.01 0.21 1.21 -0.09 0.41 0.00 0.00 173.24 174.98 1yua h ARG 90 N 6.33 0.00 0.00 12.44 2.43 -1.94 0.13 114.38 133.77 1yua h ARG 90 Ca -0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1yua h ARG 90 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1yua h ARG 90 CO 0.48 0.00 -0.09 0.87 -1.51 0.00 0.00 179.97 179.72 1yua h LYS 91 N 0.00 0.00 0.00 0.20 6.56 -1.99 -3.18 116.57 118.16 1yua h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yua h LYS 91 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1yua h LYS 91 CO 0.00 0.09 0.00 0.25 -2.06 0.00 0.00 179.45 177.73 1yua n THR 92 N -3.69 0.05 -3.69 -0.16 -2.24 -1.24 -5.04 114.28 98.27 1yua n THR 92 Ca -0.02 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 1yua n THR 92 Cb 0.20 1.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1yua n THR 92 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1yua n LYS 93 N -0.03 -1.13 -2.33 -0.78 5.02 0.40 -4.97 118.16 114.35 1yua n LYS 93 Ca 0.00 0.52 -0.03 0.00 -2.02 0.00 0.00 58.31 56.78 1yua n LYS 93 Cb 0.37 -3.84 -0.01 0.00 -0.02 0.00 0.00 35.03 31.52 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1yua n GLN 94 N -3.94 0.26 -4.94 1.97 6.02 -0.95 -4.97 117.38 110.83 1yua n GLN 94 Ca -0.11 -0.48 -0.30 0.00 -0.01 0.00 0.00 57.00 56.10 1yua n GLN 94 Cb 0.59 0.36 -0.17 0.00 1.02 0.00 0.00 30.24 32.05 1yua n GLN 94 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1yua s GLN 95 N -2.20 2.68 -0.02 -1.09 2.00 -1.26 -2.41 119.66 117.36 1yua s GLN 95 Ca 0.05 -0.75 0.03 0.00 -2.00 0.00 0.00 55.36 52.69 1yua s GLN 95 Cb 0.00 -2.09 -0.00 0.00 0.80 0.00 0.00 33.01 31.73 1yua s GLN 95 CO 0.04 0.10 -0.10 1.52 -0.50 0.00 0.00 175.29 176.34 1yua s TYR 96 N 0.53 1.01 0.55 1.67 1.13 -0.96 -2.39 117.35 118.90 1yua s TYR 96 Ca -0.15 -0.23 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 1yua s TYR 96 Cb -0.17 -0.69 0.01 0.00 -1.10 0.00 0.00 41.96 40.01 1yua s TYR 96 CO 0.06 -0.07 0.83 0.14 -2.51 0.00 0.00 175.55 173.99 1yua s VAL 97 N 0.02 3.58 -0.18 -3.49 -7.23 0.11 0.79 120.40 113.99 1yua s VAL 97 Ca -0.00 -0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.89 1yua s VAL 97 Cb -0.07 -3.39 0.08 0.00 0.56 0.00 0.00 36.38 33.56 1yua s VAL 97 CO 0.00 -0.36 0.37 -0.55 -0.31 0.00 0.00 175.10 174.25 1yua s SER 98 N -4.30 -0.05 -0.19 4.85 0.15 -0.50 0.08 113.70 113.74 1yua s SER 98 Ca 0.53 0.86 -0.29 0.00 0.70 0.00 0.00 55.95 57.75 1yua s SER 98 Cb -0.10 1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 65.33 1yua s SER 98 CO 0.42 -0.24 1.41 -0.44 1.20 0.00 0.00 173.24 175.60 1yua s SER 99 N 2.55 6.72 -0.01 5.45 0.01 -0.91 -2.36 113.70 125.15 1yua s SER 99 Ca -0.01 1.66 0.04 0.00 1.31 0.00 0.00 55.95 58.95 1yua s SER 99 Cb -0.12 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 1yua s SER 99 CO -0.11 -0.96 -0.13 -1.61 0.41 0.00 0.00 173.24 170.83 1yua s GLU 100 N 3.98 1.09 -0.88 12.44 2.02 -0.03 -2.94 118.70 134.37 1yua s GLU 100 Ca 0.62 -0.48 -0.19 0.00 0.02 0.00 0.00 54.97 54.94 1yua s GLU 100 Cb -0.23 -1.05 0.13 0.00 0.10 0.00 0.00 34.13 33.07 1yua s GLU 100 CO 0.22 0.29 1.07 0.21 0.02 0.00 0.00 175.26 177.07 1yua s LYS 101 N -0.31 3.53 -1.15 1.61 2.20 -1.23 -4.31 119.74 120.08 1yua s LYS 101 Ca 0.05 -1.68 0.00 0.00 -0.36 0.00 0.00 55.97 53.98 1yua s LYS 101 Cb -0.05 -4.80 0.00 0.00 -1.51 0.00 0.00 37.83 31.47 1yua s LYS 101 CO -0.00 -1.74 0.00 -3.47 -0.36 0.00 0.00 175.35 169.77 1yua n ASP 102 N 6.53 -3.50 0.00 1.43 2.03 -1.26 -1.23 116.55 120.55 1yua n ASP 102 Ca 0.19 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1yua n ASP 102 Cb 0.48 -3.08 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yua n GLY 103 N -0.09 1.94 0.03 0.27 0.00 -1.26 -5.01 105.19 101.07 1yua n GLY 103 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1yua n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yua n LYS 104 N -0.20 0.32 -4.03 1.61 3.00 -0.36 -4.97 118.16 113.52 1yua n LYS 104 Ca 0.00 -0.03 -0.32 0.00 -0.00 0.00 0.00 58.31 57.96 1yua n LYS 104 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 35.03 33.43 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yua n ALA 105 N -1.87 -2.21 -0.49 3.14 0.00 -1.26 -4.67 120.51 113.16 1yua n ALA 105 Ca 0.01 -0.37 0.42 0.00 0.00 0.00 0.00 53.44 53.51 1yua n ALA 105 Cb 0.45 -1.91 0.67 0.00 0.00 0.00 0.00 19.45 18.66 1yua n ALA 105 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yua h THR 106 N -1.98 0.03 0.00 0.00 1.35 -1.88 -3.43 112.91 107.00 1yua h THR 106 Ca -0.66 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1yua h THR 106 Cb 1.39 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1yua h THR 106 CO 0.61 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1yua n GLY 107 N -1.83 1.45 3.47 5.82 0.00 -1.25 -4.89 105.19 107.96 1yua n GLY 107 Ca 0.35 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 1yua n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yua n TRP 108 N 0.00 0.22 -3.15 1.61 -0.00 -1.26 -3.79 117.44 111.07 1yua n TRP 108 Ca 0.00 0.88 0.04 0.00 -0.00 0.00 0.00 57.50 58.42 1yua n TRP 108 Cb 0.00 -2.08 -0.00 0.00 -0.00 0.00 0.00 31.31 29.23 1yua n TRP 108 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1yua s SER 109 N -0.73 -1.61 0.32 5.87 1.04 -1.26 -2.14 113.70 115.19 1yua s SER 109 Ca 0.65 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 57.24 1yua s SER 109 Cb -0.88 2.04 -0.06 0.00 0.10 0.00 0.00 66.02 67.22 1yua s SER 109 CO 0.57 -0.30 0.64 0.00 0.98 0.00 0.00 173.24 175.13 1yua s ALA 110 N 2.83 3.51 -0.04 5.32 0.00 0.11 -0.65 121.76 132.84 1yua s ALA 110 Ca 0.11 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1yua s ALA 110 Cb -0.10 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1yua s ALA 110 CO -0.26 0.20 -0.22 -0.06 0.00 0.00 0.00 175.76 175.42 1yua s PHE 111 N -2.14 2.09 -0.58 0.00 0.40 -0.77 0.04 117.98 117.01 1yua s PHE 111 Ca 0.47 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 56.00 1yua s PHE 111 Cb -0.11 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.10 1yua s PHE 111 CO 0.29 -0.16 0.96 -0.47 0.70 0.00 0.00 175.22 176.54 1yua s TYR 112 N -0.17 2.75 0.00 0.36 5.04 -1.01 0.51 117.35 124.83 1yua s TYR 112 Ca -0.01 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1yua s TYR 112 Cb -0.12 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.06 1yua s TYR 112 CO 0.02 -1.43 0.00 0.28 -1.34 0.00 0.00 175.55 173.08 1yua n VAL 113 N 6.15 0.00 -2.04 3.14 0.31 -0.54 -4.76 118.33 120.60 1yua n VAL 113 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.07 1yua n VAL 113 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1yua n VAL 113 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1yua s ASP 114 N -1.00 5.05 -1.04 4.52 -4.77 -1.26 -2.86 116.67 115.30 1yua s ASP 114 Ca 0.00 -1.04 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1yua s ASP 114 CO 0.00 -2.93 0.00 0.61 0.70 0.00 0.00 175.17 173.55 1yua n GLY 115 N 6.44 0.09 2.60 2.12 0.00 -1.26 -4.83 105.19 110.36 1yua n GLY 115 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 116 N -2.39 1.86 -0.79 1.61 4.01 -1.13 -5.10 118.16 116.23 1yua n LYS 116 Ca -0.13 -4.33 -0.33 0.00 -0.51 0.00 0.00 58.31 53.01 1yua n LYS 116 Cb 0.51 -2.13 0.12 0.00 -0.51 0.00 0.00 35.03 33.03 1yua n LYS 116 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1yua n TRP 117 N 1.55 -1.48 -3.65 2.13 7.02 -1.25 -1.46 117.44 120.30 1yua n TRP 117 Ca 0.25 0.23 -0.04 0.00 -1.02 0.00 0.00 57.50 56.91 1yua n TRP 117 Cb 0.40 -1.77 -0.01 0.00 -2.42 0.00 0.00 31.31 27.51 1yua n TRP 117 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1yua n VAL 118 N -3.62 0.00 -4.07 -0.99 0.24 0.18 -4.74 118.33 105.33 1yua n VAL 118 Ca 0.06 -0.51 -0.14 0.00 -2.04 0.00 0.00 64.34 61.71 1yua n VAL 118 Cb 0.54 0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 33.10 1yua n VAL 118 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1yua s GLU 119 N -2.22 0.33 0.00 7.34 2.02 -1.26 -1.85 118.70 123.06 1yua s GLU 119 Ca 0.08 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1yua s GLU 119 Cb -0.00 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.95 1yua s GLU 119 CO 0.06 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1yua n GLY 120 N 2.73 4.23 0.00 -1.39 0.00 0.18 -4.91 105.19 106.03 1yua n GLY 120 Ca -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1yua n GLY 120 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yua n LYS 121 N 0.00 0.00 -0.11 1.61 2.85 -1.26 -4.64 118.16 116.60 1yua n LYS 121 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yua n LYS 121 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1yua n LYS 121 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98