#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 5.12 0.00 7.83 3.02 -1.26 -4.98 115.26 124.99 1yua n ASN 2 Ca 0.00 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 1yua n ASN 2 Cb 0.00 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yua n GLY 3 N -0.12 -0.52 2.24 7.41 0.00 -1.26 -5.02 105.19 107.92 1yua n GLY 3 Ca 0.34 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 1yua n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yua n GLU 4 N 0.00 -1.00 -2.69 1.61 2.13 -1.26 -4.92 120.64 114.50 1yua n GLU 4 Ca 0.00 0.62 -0.18 0.00 0.66 0.00 0.00 57.16 58.26 1yua n GLU 4 Cb 0.00 -4.82 0.00 0.00 0.27 0.00 0.00 31.44 26.90 1yua n GLU 4 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1yua n VAL 5 N -3.98 1.53 -3.35 6.31 0.24 -1.26 -4.83 118.33 113.00 1yua n VAL 5 Ca -0.15 -4.16 -0.12 0.00 -2.04 0.00 0.00 64.34 57.87 1yua n VAL 5 Cb 0.61 -0.33 0.01 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.18 -2.59 -0.55 2.33 0.00 -1.26 -4.93 120.51 113.33 1yua n ALA 6 Ca 0.24 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 1yua n ALA 6 Cb 0.70 -2.01 0.13 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.45 -1.41 0.00 0.00 -0.02 -1.26 -4.88 135.00 124.98 1yua n PRO 7 Ca -0.10 -0.66 -0.01 0.00 -2.02 0.00 0.00 63.50 60.71 1yua n PRO 7 Cb 0.57 -1.27 -0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 0.00 -0.03 -6.83 0.52 0.11 -2.06 -3.42 132.00 120.28 1yua h PRO 8 Ca -0.18 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.47 1yua h PRO 8 Cb 0.60 0.01 0.04 0.00 0.11 0.00 0.00 31.00 31.76 1yua h PRO 8 CO 0.11 -0.02 -0.00 0.21 -0.21 0.00 0.00 178.00 178.08 1yua s LYS 9 N -3.13 3.09 0.00 1.05 2.36 -1.26 -5.04 119.74 116.81 1yua s LYS 9 Ca -0.01 -0.28 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1yua s LYS 9 Cb 0.00 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.32 1yua s LYS 9 CO 0.03 -0.36 0.00 0.39 1.55 0.00 0.00 175.35 176.95 1yua n GLU 10 N -2.22 0.00 -4.14 4.03 4.71 -1.26 -5.03 120.64 116.73 1yua n GLU 10 Ca 0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.72 1yua n GLU 10 Cb 0.57 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.00 1yua n GLU 10 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1yua n ASP 11 N -2.34 -3.19 -0.33 1.62 2.03 -1.26 -4.92 116.55 108.16 1yua n ASP 11 Ca 0.00 -1.31 0.00 0.00 0.52 0.00 0.00 54.79 54.00 1yua n ASP 11 Cb 0.00 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 1yua n ASP 11 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1yua n PRO 12 N -5.02 3.02 -3.40 -0.67 -0.02 -1.26 -4.81 135.00 122.84 1yua n PRO 12 Ca -0.15 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.88 1yua n PRO 12 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.02 1yua n PRO 12 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yua s VAL 13 N 0.00 5.07 0.14 -1.45 1.01 -1.07 -4.91 120.40 119.18 1yua s VAL 13 Ca 0.00 -2.08 -0.31 0.00 0.00 0.00 0.00 61.98 59.59 1yua s VAL 13 Cb 0.00 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1yua s VAL 13 CO 0.00 -0.92 1.61 -2.16 0.00 0.00 0.00 175.10 173.63 1yua s PRO 14 N 0.83 4.20 -0.53 2.72 0.04 -1.26 0.27 135.00 141.27 1yua s PRO 14 Ca 0.11 2.37 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1yua s PRO 14 Cb -0.20 -3.30 0.40 0.00 0.04 0.00 0.00 34.50 31.44 1yua s PRO 14 CO -0.03 -0.66 1.26 1.28 0.04 0.00 0.00 177.00 178.89 1yua n LEU 15 N 4.50 5.20 -0.29 -3.56 4.77 -0.53 -4.85 117.00 122.24 1yua n LEU 15 Ca 0.15 -5.20 0.19 0.00 -0.03 0.00 0.00 56.01 51.12 1yua n LEU 15 Cb 0.39 -0.58 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 1yua n LEU 15 CO 0.62 2.17 0.78 -2.65 -1.33 0.00 0.00 177.39 176.98 1yua n PRO 16 N -0.46 -0.06 -0.28 3.23 -0.02 -1.26 0.38 135.00 136.52 1yua n PRO 16 Ca 0.41 1.24 0.01 0.00 -2.02 0.00 0.00 63.50 63.13 1yua n PRO 16 Cb 0.56 -2.08 0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.03 -5.78 -0.52 4.81 -1.97 -3.32 114.58 107.78 1yua h GLU 17 Ca 0.61 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 59.24 1yua h GLU 17 Cb 1.46 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.74 1yua h GLU 17 CO -0.74 -0.02 0.38 -1.17 -0.73 0.00 0.00 179.01 176.73 1yua s LEU 18 N -10.97 4.11 0.54 1.64 2.96 0.16 -5.03 118.68 112.09 1yua s LEU 18 Ca -0.14 0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 54.07 1yua s LEU 18 Cb 0.21 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.80 1yua s LEU 18 CO 0.74 -0.67 1.12 -2.16 -1.32 0.00 0.00 176.35 174.06 1yua s PRO 19 N 3.03 3.37 -0.31 0.98 0.04 -1.25 -2.63 135.00 138.23 1yua s PRO 19 Ca 0.32 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1yua s PRO 19 Cb -0.14 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1yua s PRO 19 CO 0.15 -0.83 0.00 0.00 0.04 0.00 0.00 177.00 176.36 1yua n GLU 21 N 4.45 -0.23 -3.13 0.00 1.02 -1.26 -3.15 120.64 118.33 1yua n GLU 21 Ca -0.07 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 1yua n GLU 21 Cb 0.42 -3.48 0.03 0.00 -0.02 0.00 0.00 31.44 28.39 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yua n LYS 22 N -1.81 -4.83 -0.70 3.49 3.00 -1.26 -4.86 118.16 111.20 1yua n LYS 22 Ca 0.00 0.82 -0.00 0.00 -0.00 0.00 0.00 58.31 59.13 1yua n LYS 22 Cb 0.06 -5.67 0.20 0.00 0.00 0.00 0.00 35.03 29.62 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yua n SER 23 N -2.52 2.35 0.00 3.14 2.88 -1.19 -4.88 113.62 113.41 1yua n SER 23 Ca -0.09 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.72 1yua n SER 23 Cb 0.60 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1yua n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1yua n ASP 24 N -1.10 0.00 -4.31 -3.46 -0.08 -1.26 -5.00 116.55 101.34 1yua n ASP 24 Ca 0.28 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.33 1yua n ASP 24 Cb 0.92 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.51 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yua n ALA 25 N 0.39 -0.15 -3.00 -1.67 0.00 -1.26 -4.95 120.51 109.87 1yua n ALA 25 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1yua n ALA 25 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1yua n ALA 25 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1yua n TYR 26 N -2.99 -0.22 -3.60 0.00 0.18 -1.26 -1.57 117.16 107.70 1yua n TYR 26 Ca 0.16 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.55 1yua n TYR 26 Cb 0.56 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.45 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1yua s PHE 27 N -3.57 3.58 -1.06 -3.48 0.08 -1.08 -1.29 117.98 111.15 1yua s PHE 27 Ca 0.00 -2.59 -0.22 0.00 0.12 0.00 0.00 56.93 54.24 1yua s PHE 27 Cb 0.00 -3.37 0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1yua s PHE 27 CO 0.00 -0.86 1.54 0.08 -0.10 0.00 0.00 175.22 175.88 1yua s VAL 28 N -0.24 3.91 -0.79 -0.44 1.01 -0.71 -1.46 120.40 121.69 1yua s VAL 28 Ca 0.19 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1yua s VAL 28 Cb -0.16 -5.00 -0.24 0.00 0.00 0.00 0.00 36.38 30.99 1yua s VAL 28 CO -0.06 -1.86 1.85 -0.11 0.00 0.00 0.00 175.10 174.92 1yua n LEU 29 N 9.28 -0.69 -4.96 3.92 7.94 0.14 -3.74 117.00 128.90 1yua n LEU 29 Ca 0.36 -0.24 -0.22 0.00 -1.11 0.00 0.00 56.01 54.81 1yua n LEU 29 Cb 0.50 -0.53 -0.01 0.00 0.53 0.00 0.00 43.42 43.92 1yua n LEU 29 CO 0.67 -0.94 0.14 -0.60 -1.11 0.00 0.00 177.39 175.55 1yua s ARG 30 N 6.08 3.30 -0.18 1.96 3.52 -0.01 -2.59 118.95 131.04 1yua s ARG 30 Ca 1.06 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1yua s ARG 30 Cb -0.78 -2.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1yua s ARG 30 CO 0.43 0.08 -0.20 0.16 -0.81 0.00 0.00 175.30 174.96 1yua s ASP 31 N -4.10 3.16 0.00 -2.12 -4.77 -1.26 -1.52 116.67 106.06 1yua s ASP 31 Ca 0.42 -0.67 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 1yua s ASP 31 Cb -0.10 -1.48 0.00 0.00 -1.09 0.00 0.00 42.92 40.26 1yua s ASP 31 CO 0.34 -0.01 0.00 0.61 0.70 0.00 0.00 175.17 176.82 1yua n GLY 32 N 4.62 0.80 3.48 2.12 0.00 -0.56 -4.86 105.19 110.79 1yua n GLY 32 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua s ALA 33 N -3.82 3.39 -1.63 4.61 0.00 -1.26 -4.50 121.76 118.56 1yua s ALA 33 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 1yua s ALA 33 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 23.12 20.67 1yua s ALA 33 CO 0.00 -1.00 0.53 0.00 0.00 0.00 0.00 175.76 175.29 1yua n ALA 34 N 5.05 -1.58 -3.34 0.00 0.00 -1.26 -4.89 120.51 114.49 1yua n ALA 34 Ca -0.13 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.16 1yua n ALA 34 Cb 0.49 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1yua n ALA 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yua s GLY 35 N -3.76 -0.22 0.65 0.00 0.00 -1.26 -4.66 107.32 98.06 1yua s GLY 35 Ca 0.43 3.00 -0.08 0.00 0.00 0.00 0.00 44.72 48.07 1yua s GLY 35 CO 0.94 3.34 0.98 -1.34 0.00 0.00 0.00 173.10 177.03 1yua s VAL 36 N 2.52 3.34 -0.04 1.40 -7.23 -1.26 -1.50 120.40 117.64 1yua s VAL 36 Ca -0.01 0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.96 1yua s VAL 36 Cb -0.07 -3.38 0.10 0.00 0.56 0.00 0.00 36.38 33.59 1yua s VAL 36 CO -0.17 -0.43 1.31 0.72 -0.31 0.00 0.00 175.10 176.23 1yua s PHE 37 N -3.16 0.02 -0.29 2.82 -0.71 -0.57 -3.79 117.98 112.29 1yua s PHE 37 Ca 0.56 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.38 1yua s PHE 37 Cb -0.11 0.54 0.08 0.00 -1.21 0.00 0.00 43.02 42.33 1yua s PHE 37 CO 0.47 -0.20 -0.02 -0.51 -1.34 0.00 0.00 175.22 173.63 1yua s LEU 38 N -3.81 3.79 0.09 -1.99 1.02 -0.45 -0.83 118.68 116.51 1yua s LEU 38 Ca 0.30 -1.71 -0.02 0.00 0.02 0.00 0.00 54.13 52.71 1yua s LEU 38 Cb -0.00 -1.47 -0.05 0.00 0.02 0.00 0.00 46.19 44.69 1yua s LEU 38 CO -0.01 -0.30 0.28 0.00 0.02 0.00 0.00 176.35 176.34 1yua s ALA 39 N 1.10 3.92 0.29 4.21 0.00 -1.25 -3.94 121.76 126.08 1yua s ALA 39 Ca 0.02 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 1yua s ALA 39 Cb -0.19 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.87 1yua s ALA 39 CO -0.08 0.76 1.42 0.00 0.00 0.00 0.00 175.76 177.86 1yua s ALA 40 N -1.56 3.59 -1.42 0.00 0.00 -1.20 -1.73 121.76 119.44 1yua s ALA 40 Ca 0.37 1.35 0.14 0.00 0.00 0.00 0.00 51.96 53.83 1yua s ALA 40 Cb -0.13 -3.55 0.71 0.00 0.00 0.00 0.00 23.12 20.15 1yua s ALA 40 CO 0.26 -0.77 1.38 -1.71 0.00 0.00 0.00 175.76 174.92 1yua n ASN 41 N 1.71 0.00 -1.13 0.00 4.05 -0.41 -1.64 115.26 117.83 1yua n ASN 41 Ca 0.04 0.10 0.11 0.00 0.45 0.00 0.00 54.58 55.28 1yua n ASN 41 Cb 0.40 -0.29 0.23 0.00 1.23 0.00 0.00 39.78 41.35 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1yua n THR 42 N -1.29 0.65 -1.27 -0.44 -2.24 -1.26 -4.93 114.28 103.50 1yua n THR 42 Ca 0.07 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 1yua n THR 42 Cb 0.11 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.42 -1.51 1.95 4.78 -0.00 -0.65 -0.55 117.46 122.90 1yua n PHE 43 Ca 0.19 0.70 0.13 0.00 -0.00 0.00 0.00 57.45 58.47 1yua n PHE 43 Cb 0.58 -1.75 0.76 0.00 -0.00 0.00 0.00 39.48 39.07 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 1.17 0.98 -0.68 -7.13 -0.04 -1.26 -4.85 135.00 123.18 1yua n PRO 44 Ca 0.13 0.00 0.51 0.00 -0.04 0.00 0.00 63.50 64.10 1yua n PRO 44 Cb 0.33 -1.41 0.79 0.00 -0.04 0.00 0.00 33.50 33.18 1yua n PRO 44 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yua n LYS 45 N -0.91 -0.00 -3.66 0.54 4.81 0.29 -3.69 118.16 115.54 1yua n LYS 45 Ca 0.19 1.05 -0.21 0.00 -0.87 0.00 0.00 58.31 58.47 1yua n LYS 45 Cb 0.09 -2.41 -0.18 0.00 0.02 0.00 0.00 35.03 32.55 1yua n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yua s SER 46 N -3.87 1.33 -0.07 3.14 0.15 -1.26 -4.99 113.70 108.12 1yua s SER 46 Ca -0.05 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.65 1yua s SER 46 Cb 0.26 -0.16 0.36 0.00 -1.71 0.00 0.00 66.02 64.77 1yua s SER 46 CO 0.86 -0.27 1.14 0.54 1.20 0.00 0.00 173.24 176.72 1yua n ARG 47 N 5.30 2.47 -1.65 5.44 1.74 -1.24 -4.05 116.66 124.65 1yua n ARG 47 Ca -0.04 -1.39 -0.34 0.00 -0.77 0.00 0.00 57.85 55.31 1yua n ARG 47 Cb 0.50 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1yua n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1yua s GLU 48 N -1.72 2.15 -0.02 5.56 2.02 -1.26 -4.90 118.70 120.52 1yua s GLU 48 Ca 0.25 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1yua s GLU 48 Cb 0.17 -4.58 0.02 0.00 0.10 0.00 0.00 34.13 29.84 1yua s GLU 48 CO 0.10 -3.31 0.01 -0.08 0.02 0.00 0.00 175.26 172.01 1yua s THR 49 N 11.89 0.06 0.00 3.63 -1.32 -1.25 -3.27 115.64 125.38 1yua s THR 49 Ca 0.91 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.52 1yua s THR 49 Cb -0.16 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1yua s THR 49 CO 0.23 0.10 0.00 0.54 -2.21 0.00 0.00 174.62 173.28 1yua n ARG 50 N 4.00 0.00 -1.63 7.08 1.74 -1.26 -4.89 116.66 121.70 1yua n ARG 50 Ca -0.25 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.44 1yua n ARG 50 Cb 0.52 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.00 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yua n ALA 51 N -0.51 0.35 -1.93 7.54 0.00 -1.25 -1.34 120.51 123.37 1yua n ALA 51 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1yua n ALA 51 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 1yua n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 52 N -2.59 4.77 0.38 0.00 0.04 -1.26 -4.46 135.00 131.88 1yua s PRO 52 Ca 0.72 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 1yua s PRO 52 Cb -0.45 -3.30 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 1yua s PRO 52 CO 0.50 0.37 1.18 -0.11 0.04 0.00 0.00 177.00 178.98 1yua n LEU 53 N 1.92 3.28 0.24 -3.56 -0.00 -1.26 -1.90 117.00 115.72 1yua n LEU 53 Ca -0.00 1.13 0.07 0.00 -0.00 0.00 0.00 56.01 57.21 1yua n LEU 53 Cb 0.47 -1.44 0.59 0.00 -0.00 0.00 0.00 43.42 43.05 1yua n LEU 53 CO 0.51 -0.88 1.01 0.58 -0.00 0.00 0.00 177.39 178.61 1yua h VAL 54 N 2.09 1.05 -0.01 1.96 2.07 -1.58 -0.94 116.25 120.89 1yua h VAL 54 Ca -0.45 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 66.66 1yua h VAL 54 Cb 1.31 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1yua h VAL 54 CO 0.60 0.07 -0.79 1.05 0.02 0.00 0.00 177.57 178.51 1yua h GLU 55 N 0.00 0.12 -0.01 1.57 4.11 -1.83 -2.01 114.58 116.54 1yua h GLU 55 Ca 0.00 -0.12 -0.17 0.00 0.07 0.00 0.00 59.36 59.14 1yua h GLU 55 Cb 0.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1yua h GLU 55 CO 0.01 0.85 -0.76 0.93 0.07 0.00 0.00 179.01 180.11 1yua h GLU 56 N 0.08 0.08 0.00 1.06 4.39 -1.57 -2.62 114.58 115.99 1yua h GLU 56 Ca -0.02 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1yua h GLU 56 Cb 1.39 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1yua h GLU 56 CO 0.11 0.80 -0.57 1.25 -1.16 0.00 0.00 179.01 179.44 1yua h LEU 57 N 0.05 0.00 -0.13 1.33 5.85 -1.13 -2.49 115.31 118.78 1yua h LEU 57 Ca -0.02 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 1yua h LEU 57 Cb 1.34 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.38 1yua h LEU 57 CO 0.11 0.57 -0.81 0.22 -0.34 0.00 0.00 178.44 178.19 1yua h TYR 58 N 0.00 1.07 -0.12 1.25 5.03 -1.22 -2.76 116.97 120.22 1yua h TYR 58 Ca -0.01 -0.49 -0.13 0.00 2.58 0.00 0.00 58.73 60.69 1yua h TYR 58 Cb 1.30 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 1yua h TYR 58 CO 0.00 1.32 -0.51 -0.09 -1.32 0.00 0.00 178.16 177.56 1yua h ARG 59 N 0.51 0.31 -0.64 1.82 2.43 -1.47 -2.44 114.38 114.90 1yua h ARG 59 Ca -0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1yua h ARG 59 Cb 1.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1yua h ARG 59 CO 0.17 0.75 0.00 1.19 -1.51 0.00 0.00 179.97 180.57 1yua n PHE 60 N -3.95 0.59 -0.25 2.20 3.01 -0.94 -4.19 117.46 113.93 1yua n PHE 60 Ca -0.02 -0.22 0.07 0.00 1.01 0.00 0.00 57.45 58.29 1yua n PHE 60 Cb 0.56 -0.16 0.32 0.00 -0.01 0.00 0.00 39.48 40.19 1yua n PHE 60 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yua h ARG 61 N 1.43 0.81 -0.66 -1.08 2.47 -1.13 0.50 114.38 116.72 1yua h ARG 61 Ca 0.00 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1yua h ARG 61 Cb 0.77 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 1yua h ARG 61 CO 0.11 0.54 0.28 -0.44 0.56 0.00 0.00 179.97 181.01 1yua h ASP 62 N 0.83 0.87 0.15 7.04 3.32 -1.83 -1.86 116.42 124.95 1yua h ASP 62 Ca 0.38 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1yua h ASP 62 Cb 0.38 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1yua h ASP 62 CO -0.15 0.77 -0.26 0.54 -1.72 0.00 0.00 179.24 178.42 1yua n ARG 63 N -4.32 1.05 -1.83 3.56 1.74 -0.24 -4.91 116.66 111.72 1yua n ARG 63 Ca 0.06 -0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 56.03 1yua n ARG 63 Cb 0.16 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.42 4.37 0.00 0.55 0.20 0.16 -4.84 118.68 116.69 1yua s LEU 64 Ca 0.25 2.78 0.00 0.00 0.69 0.00 0.00 54.13 57.85 1yua s LEU 64 Cb 0.19 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.35 1yua s LEU 64 CO 0.50 -0.89 0.78 -0.81 -0.29 0.00 0.00 176.35 175.64 1yua n PRO 65 N 3.59 0.89 0.00 0.98 -0.04 -1.26 -4.84 135.00 134.32 1yua n PRO 65 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1yua n PRO 65 Cb 0.37 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.36 0.00 0.00 0.54 2.13 -1.26 -4.75 120.64 116.94 1yua n GLU 66 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1yua n GLU 66 Cb 0.06 -2.48 0.09 0.00 0.27 0.00 0.00 31.44 29.37 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 -1.76 0.69 -0.31 5.31 0.00 -1.26 -2.64 118.16 118.20 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1yua n LYS 67 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yua n LEU 68 N -0.57 0.00 -0.26 3.14 4.32 -1.26 -4.94 117.00 117.43 1yua n LEU 68 Ca 0.02 -0.68 -0.10 0.00 -0.02 0.00 0.00 56.01 55.23 1yua n LEU 68 Cb 0.01 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 1yua n LEU 68 CO 0.02 0.39 0.53 -0.09 -1.22 0.00 0.00 177.39 177.02 1yua h ARG 69 N 0.00 -0.18 -0.89 3.23 9.65 -1.89 0.43 114.38 124.72 1yua h ARG 69 Ca 0.00 0.01 0.24 0.00 -1.10 0.00 0.00 59.98 59.13 1yua h ARG 69 Cb 1.16 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 1yua h ARG 69 CO 0.00 -0.12 0.14 0.10 2.80 0.00 0.00 179.97 182.89 1yua h TYR 70 N -0.19 0.17 -0.76 2.20 -0.00 -1.92 0.71 116.97 117.19 1yua h TYR 70 Ca 0.17 0.06 -0.02 0.00 -0.00 0.00 0.00 58.73 58.94 1yua h TYR 70 Cb 0.54 0.07 -0.04 0.00 -0.00 0.00 0.00 36.73 37.30 1yua h TYR 70 CO -0.81 -0.29 0.41 -0.07 -0.00 0.00 0.00 178.16 177.39 1yua h LEU 71 N 0.12 0.95 -0.35 0.10 3.38 -0.58 -0.63 115.31 118.30 1yua h LEU 71 Ca 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1yua h LEU 71 Cb 1.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1yua h LEU 71 CO -0.74 0.78 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1yua n ALA 72 N -2.36 1.79 1.02 1.53 0.00 0.22 -2.15 120.51 120.56 1yua n ALA 72 Ca 0.07 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1yua n ALA 72 Cb 0.10 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.96 0.84 -4.74 0.00 9.92 0.13 -4.54 116.55 116.20 1yua n ASP 73 Ca 0.03 -0.69 -0.29 0.00 -0.53 0.00 0.00 54.79 53.31 1yua n ASP 73 Cb 0.25 0.56 0.14 0.00 -0.64 0.00 0.00 41.12 41.43 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 74 N -2.93 1.56 0.85 2.24 0.00 -0.84 -5.01 121.76 117.62 1yua s ALA 74 Ca 0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1yua s ALA 74 Cb 0.17 -3.10 0.10 0.00 0.00 0.00 0.00 23.12 20.29 1yua s ALA 74 CO 0.75 -2.37 1.09 -1.25 0.00 0.00 0.00 175.76 173.98 1yua s PRO 75 N -5.10 1.66 -0.27 0.00 0.04 -1.26 -4.92 135.00 125.15 1yua s PRO 75 Ca 0.64 1.00 0.18 0.00 0.04 0.00 0.00 61.00 62.85 1yua s PRO 75 Cb -0.16 -1.84 0.49 0.00 0.04 0.00 0.00 34.50 33.03 1yua s PRO 75 CO 0.55 -2.01 1.13 0.00 0.04 0.00 0.00 177.00 176.71 1yua n GLN 76 N -3.75 2.30 0.00 4.56 10.64 -1.26 -4.55 117.38 125.32 1yua n GLN 76 Ca 0.08 -3.71 0.00 0.00 -1.83 0.00 0.00 57.00 51.54 1yua n GLN 76 Cb 0.54 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yua n GLN 77 N -0.63 0.00 -0.07 2.61 10.64 -1.26 -2.28 117.38 126.40 1yua n GLN 77 Ca 0.18 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.36 1yua n GLN 77 Cb 0.85 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 30.23 1yua n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1yua n ASP 78 N 0.00 -0.36 0.16 2.61 2.03 -1.26 -2.32 116.55 117.41 1yua n ASP 78 Ca 0.00 0.06 0.08 0.00 0.52 0.00 0.00 54.79 55.45 1yua n ASP 78 Cb 0.00 -0.22 0.40 0.00 -0.72 0.00 0.00 41.12 40.58 1yua n ASP 78 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1yua n PRO 79 N -2.16 0.10 -0.02 -0.67 -0.02 -1.26 -1.34 135.00 129.63 1yua n PRO 79 Ca -0.00 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 1yua n PRO 79 Cb 0.03 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 1yua n PRO 79 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 80 N 0.00 0.19 0.00 -0.52 4.81 -2.04 -3.49 114.58 113.53 1yua h GLU 80 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1yua h GLU 80 Cb 0.45 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1yua h GLU 80 CO 0.00 1.16 0.00 0.41 -0.73 0.00 0.00 179.01 179.85 1yua n GLY 81 N 1.77 2.53 3.51 1.92 0.00 -0.45 -5.05 105.19 109.42 1yua n GLY 81 Ca -0.30 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 0.26 -2.36 1.61 6.94 -0.98 -4.59 115.26 116.13 1yua n ASN 82 Ca 0.00 -0.20 -0.22 0.00 -0.02 0.00 0.00 54.58 54.14 1yua n ASN 82 Cb 0.00 -0.97 0.00 0.00 -2.36 0.00 0.00 39.78 36.45 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1yua n LYS 83 N 7.88 0.00 -4.15 -3.83 5.02 -1.26 -3.82 118.16 118.00 1yua n LYS 83 Ca 0.61 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.66 1yua n LYS 83 Cb 0.16 -0.55 -0.17 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.05 0.91 0.00 -0.18 2.01 -0.97 -0.48 115.64 115.89 1yua s THR 84 Ca 0.32 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1yua s THR 84 Cb -0.30 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1yua s THR 84 CO 0.36 0.33 0.00 1.15 -0.69 0.00 0.00 174.62 175.77 1yua n MET 85 N 4.46 1.36 -3.21 4.92 0.00 -0.98 -1.75 117.12 121.91 1yua n MET 85 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.29 1yua n MET 85 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.72 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 0.40 4.65 0.00 3.17 1.01 -0.80 -1.36 120.40 127.48 1yua s VAL 86 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1yua s VAL 86 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1yua s VAL 86 CO 0.00 -0.47 0.00 0.54 0.00 0.00 0.00 175.10 175.17 1yua n ARG 87 N -1.91 0.00 -3.88 2.72 5.12 0.26 -4.37 116.66 114.60 1yua n ARG 87 Ca -0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.81 1yua n ARG 87 Cb 0.57 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.79 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 -5.25 0.16 -0.04 -1.55 2.19 -1.26 -2.50 117.98 109.73 1yua s PHE 88 Ca 0.00 -0.52 -0.01 0.00 0.33 0.00 0.00 56.93 56.72 1yua s PHE 88 Cb 0.00 -0.09 0.03 0.00 -1.31 0.00 0.00 43.02 41.65 1yua s PHE 88 CO 0.00 -0.47 0.08 -1.12 1.83 0.00 0.00 175.22 175.54 1yua s SER 89 N -2.55 0.19 0.06 6.13 0.01 -0.83 -4.82 113.70 111.90 1yua s SER 89 Ca 0.01 0.15 0.15 0.00 1.31 0.00 0.00 55.95 57.57 1yua s SER 89 Cb 0.03 0.03 -0.14 0.00 0.21 0.00 0.00 66.02 66.14 1yua s SER 89 CO -0.08 -0.16 0.86 0.08 0.41 0.00 0.00 173.24 174.35 1yua h ARG 90 N 7.50 0.00 -0.82 12.44 0.11 -1.88 0.52 114.38 132.26 1yua h ARG 90 Ca -0.39 0.00 0.24 0.00 0.10 0.00 0.00 59.98 59.93 1yua h ARG 90 Cb 1.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.17 1yua h ARG 90 CO 0.40 0.37 0.70 0.87 0.10 0.00 0.00 179.97 182.40 1yua h LYS 91 N 0.00 0.00 0.00 0.08 1.57 -1.97 -1.32 116.57 114.93 1yua h LYS 91 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1yua h LYS 91 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1yua h LYS 91 CO 0.06 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.19 1yua n THR 92 N -3.91 0.00 -3.56 -0.16 -2.24 -1.24 -5.02 114.28 98.14 1yua n THR 92 Ca 0.17 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1yua n THR 92 Cb 0.99 1.38 0.06 0.00 -2.10 0.00 0.00 70.33 70.65 1yua n THR 92 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1yua n LYS 93 N -0.10 -4.90 -1.99 -0.78 4.81 0.06 -4.98 118.16 110.27 1yua n LYS 93 Ca 0.00 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1yua n LYS 93 Cb 0.09 -5.40 0.00 0.00 0.02 0.00 0.00 35.03 29.75 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1yua n GLN 94 N -4.10 0.11 -4.23 1.64 6.02 -0.51 -4.99 117.38 111.32 1yua n GLN 94 Ca -0.26 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.43 1yua n GLN 94 Cb 0.66 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.83 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 -1.99 2.33 -0.12 -1.09 2.00 -1.26 -1.96 119.66 117.57 1yua s GLN 95 Ca 0.00 -0.92 -0.08 0.00 -2.00 0.00 0.00 55.36 52.36 1yua s GLN 95 Cb 0.00 -2.41 0.04 0.00 0.80 0.00 0.00 33.01 31.44 1yua s GLN 95 CO 0.00 0.53 0.30 1.52 -0.50 0.00 0.00 175.29 177.14 1yua s TYR 96 N -1.21 -0.37 0.55 1.67 -0.85 -1.04 -2.20 117.35 113.89 1yua s TYR 96 Ca 0.22 0.87 -0.03 0.00 -0.52 0.00 0.00 57.07 57.61 1yua s TYR 96 Cb -0.11 0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.35 1yua s TYR 96 CO 0.14 -0.21 0.82 0.14 -1.52 0.00 0.00 175.55 174.92 1yua s VAL 97 N 0.73 3.57 -0.17 -3.49 -7.23 0.10 0.91 120.40 114.83 1yua s VAL 97 Ca -0.05 -0.24 -0.07 0.00 -1.81 0.00 0.00 61.98 59.81 1yua s VAL 97 Cb -0.06 -3.38 0.07 0.00 0.56 0.00 0.00 36.38 33.57 1yua s VAL 97 CO -0.05 -0.34 0.37 -0.55 -0.31 0.00 0.00 175.10 174.22 1yua s SER 98 N -4.30 -0.24 1.09 4.85 0.15 -0.46 0.09 113.70 114.87 1yua s SER 98 Ca 0.53 0.84 -0.12 0.00 0.70 0.00 0.00 55.95 57.89 1yua s SER 98 Cb -0.10 0.93 0.24 0.00 -1.71 0.00 0.00 66.02 65.38 1yua s SER 98 CO 0.42 -0.21 1.06 -0.44 1.20 0.00 0.00 173.24 175.26 1yua s SER 99 N 2.01 1.67 0.33 5.45 0.01 -0.41 -2.32 113.70 120.44 1yua s SER 99 Ca -0.05 1.50 -0.06 0.00 1.31 0.00 0.00 55.95 58.65 1yua s SER 99 Cb -0.11 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1yua s SER 99 CO -0.12 -3.77 0.52 -1.61 0.41 0.00 0.00 173.24 168.67 1yua s GLU 100 N -4.62 1.89 -0.48 12.44 2.02 0.37 -3.82 118.70 126.49 1yua s GLU 100 Ca 0.67 -1.63 0.07 0.00 0.02 0.00 0.00 54.97 54.11 1yua s GLU 100 Cb -0.23 0.47 0.19 0.00 0.10 0.00 0.00 34.13 34.66 1yua s GLU 100 CO 0.62 -0.80 0.69 0.15 0.02 0.00 0.00 175.26 175.94 1yua s LYS 101 N -3.12 0.99 0.00 1.61 1.02 -1.26 -4.10 119.74 114.87 1yua s LYS 101 Ca 0.27 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1yua s LYS 101 Cb -0.01 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1yua s LYS 101 CO 0.17 -1.28 0.00 -0.25 -0.92 0.00 0.00 175.35 173.07 1yua n ASP 102 N 3.44 0.00 0.00 2.83 8.00 -1.26 -3.48 116.55 126.08 1yua n ASP 102 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1yua n ASP 102 Cb 0.56 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yua n GLY 103 N -2.00 0.74 0.00 0.44 0.00 -1.26 -5.03 105.19 98.09 1yua n GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yua n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yua n LYS 104 N 0.00 1.21 -3.53 1.61 2.85 -1.23 -5.05 118.16 114.03 1yua n LYS 104 Ca 0.00 -0.89 -0.25 0.00 -1.05 0.00 0.00 58.31 56.11 1yua n LYS 104 Cb 0.00 -0.76 0.01 0.00 -0.65 0.00 0.00 35.03 33.63 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1yua n ALA 105 N -0.22 -2.62 -0.46 0.58 0.00 -1.26 -4.68 120.51 111.85 1yua n ALA 105 Ca 0.00 0.10 0.38 0.00 0.00 0.00 0.00 53.44 53.92 1yua n ALA 105 Cb 0.33 -1.60 0.68 0.00 0.00 0.00 0.00 19.45 18.85 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 0.83 0.18 0.00 0.00 1.35 -1.84 -3.44 112.91 109.99 1yua h THR 106 Ca -0.49 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1yua h THR 106 Cb 1.32 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1yua h THR 106 CO 0.30 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1yua n GLY 107 N -1.62 2.56 3.53 5.82 0.00 -1.26 -5.03 105.19 109.19 1yua n GLY 107 Ca 0.36 -0.63 -0.55 0.00 0.00 0.00 0.00 46.02 45.20 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 0.89 -3.31 1.61 -0.00 -1.26 -4.57 117.44 110.80 1yua n TRP 108 Ca 0.00 0.88 -0.10 0.00 -0.00 0.00 0.00 57.50 58.28 1yua n TRP 108 Cb 0.00 -2.17 -0.06 0.00 -0.00 0.00 0.00 31.31 29.07 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 0.06 0.50 0.32 5.87 1.04 -1.26 -1.29 113.70 118.95 1yua s SER 109 Ca 0.85 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.66 1yua s SER 109 Cb -1.10 1.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.00 1yua s SER 109 CO 0.53 -0.34 0.64 0.00 0.98 0.00 0.00 173.24 175.05 1yua s ALA 110 N 2.42 3.49 0.25 5.32 0.00 0.11 -2.63 121.76 130.72 1yua s ALA 110 Ca 0.10 -0.32 0.11 0.00 0.00 0.00 0.00 51.96 51.86 1yua s ALA 110 Cb -0.12 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1yua s ALA 110 CO -0.28 0.22 -0.21 -0.06 0.00 0.00 0.00 175.76 175.43 1yua s PHE 111 N -2.12 2.25 -0.37 0.00 0.40 -0.79 0.03 117.98 117.38 1yua s PHE 111 Ca 0.48 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 56.32 1yua s PHE 111 Cb -0.11 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.40 1yua s PHE 111 CO 0.27 0.62 0.26 -0.47 0.70 0.00 0.00 175.22 176.60 1yua s TYR 112 N -2.26 3.23 0.00 0.36 5.04 -0.94 0.69 117.35 123.48 1yua s TYR 112 Ca 0.26 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 1yua s TYR 112 Cb -0.06 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.74 1yua s TYR 112 CO 0.13 -0.48 0.00 0.28 -1.34 0.00 0.00 175.55 174.14 1yua n VAL 113 N 5.11 0.00 -2.03 3.14 0.31 -0.33 -4.81 118.33 119.73 1yua n VAL 113 Ca -0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.95 1yua n VAL 113 Cb 0.48 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 5.01 -0.98 4.52 1.01 -1.26 -2.88 116.67 121.09 1yua s ASP 114 Ca 0.00 -1.06 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -2.97 0.00 0.61 0.21 0.00 0.00 175.17 173.02 1yua n GLY 115 N 6.41 0.04 2.76 0.21 0.00 -1.26 -4.84 105.19 108.52 1yua n GLY 115 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 1yua n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 116 N -4.26 1.95 1.05 1.61 3.01 -1.14 -5.11 119.74 116.85 1yua s LYS 116 Ca 0.00 -2.88 -0.19 0.00 -1.01 0.00 0.00 55.97 51.89 1yua s LYS 116 Cb 0.00 -2.83 0.06 0.00 -1.01 0.00 0.00 37.83 34.05 1yua s LYS 116 CO 0.00 -1.29 -0.24 0.91 0.51 0.00 0.00 175.35 175.25 1yua n TRP 117 N 2.39 -1.64 -3.84 3.18 7.02 -1.26 -1.18 117.44 122.12 1yua n TRP 117 Ca 0.20 0.22 -0.10 0.00 -1.02 0.00 0.00 57.50 56.81 1yua n TRP 117 Cb 0.38 -1.47 -0.06 0.00 -2.42 0.00 0.00 31.31 27.74 1yua n TRP 117 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1yua s VAL 118 N -2.13 0.07 -0.41 -0.99 -7.23 0.22 -4.62 120.40 105.30 1yua s VAL 118 Ca 0.45 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1yua s VAL 118 Cb -0.05 -1.59 0.12 0.00 0.56 0.00 0.00 36.38 35.42 1yua s VAL 118 CO 0.55 -0.31 0.17 -1.61 -0.31 0.00 0.00 175.10 173.59 1yua s GLU 119 N -3.90 1.43 0.00 4.82 2.02 -1.26 -1.88 118.70 119.92 1yua s GLU 119 Ca 0.11 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1yua s GLU 119 Cb 0.02 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1yua s GLU 119 CO -0.04 -1.06 0.16 0.41 0.02 0.00 0.00 175.26 174.75 1yua n GLY 120 N 3.84 0.26 1.79 -1.39 0.00 -1.08 -4.99 105.19 103.62 1yua n GLY 120 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1yua n GLY 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yua n LYS 121 N -0.72 -0.34 -0.36 1.61 4.81 -1.26 -4.94 118.16 116.96 1yua n LYS 121 Ca 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1yua n LYS 121 Cb 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1yua n LYS 121 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20