#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua s ASN 2 N 0.00 3.00 -0.06 6.12 0.01 -1.26 -4.89 114.94 117.86 1yua s ASN 2 Ca 0.00 -2.86 0.08 0.00 -0.71 0.00 0.00 52.86 49.37 1yua s ASN 2 Cb 0.00 -0.81 0.12 0.00 0.41 0.00 0.00 41.25 40.97 1yua s ASN 2 CO 0.00 -0.22 1.01 0.61 -1.51 0.00 0.00 177.10 176.99 1yua n GLY 3 N 3.19 2.34 3.70 0.66 0.00 -1.26 -4.99 105.19 108.82 1yua n GLY 3 Ca 0.18 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.68 -5.31 -3.75 1.61 2.13 -1.26 -4.93 120.64 108.46 1yua n GLU 4 Ca 0.07 0.65 -0.34 0.00 0.66 0.00 0.00 57.16 58.20 1yua n GLU 4 Cb 0.60 -5.32 -0.09 0.00 0.27 0.00 0.00 31.44 26.89 1yua n GLU 4 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1yua s VAL 5 N -3.57 3.70 -0.74 6.31 0.11 -1.26 -4.82 120.40 120.12 1yua s VAL 5 Ca 0.11 -3.73 -0.01 0.00 -2.93 0.00 0.00 61.98 55.43 1yua s VAL 5 Cb -0.06 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1yua s VAL 5 CO 0.80 -1.00 0.68 0.00 -3.33 0.00 0.00 175.10 172.26 1yua n ALA 6 N 2.56 -2.56 -0.94 1.54 0.00 -1.26 -4.90 120.51 114.95 1yua n ALA 6 Ca 0.17 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1yua n ALA 6 Cb 0.36 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.85 -0.10 0.00 0.00 -0.02 -1.26 -4.97 135.00 126.79 1yua n PRO 7 Ca -0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1yua n PRO 7 Cb 0.53 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1yua n PRO 7 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yua n PRO 8 N -1.00 1.81 -0.27 0.52 -0.02 -1.26 -4.71 135.00 130.07 1yua n PRO 8 Ca 0.07 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1yua n PRO 8 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.00 1yua n PRO 8 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yua n LYS 9 N 0.00 -0.57 -0.28 -0.52 3.00 -1.26 -4.23 118.16 114.30 1yua n LYS 9 Ca 0.00 0.42 0.04 0.00 -0.00 0.00 0.00 58.31 58.77 1yua n LYS 9 Cb 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 35.03 34.46 1yua n LYS 9 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1yua h GLU 10 N -0.26 0.01 0.00 1.64 4.39 -2.03 -3.46 114.58 114.89 1yua h GLU 10 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1yua h GLU 10 Cb 0.25 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1yua h GLU 10 CO 0.01 0.01 0.00 -0.25 -1.16 0.00 0.00 179.01 177.62 1yua n ASP 11 N -5.50 0.00 0.00 1.42 8.00 -1.26 -5.12 116.55 114.09 1yua n ASP 11 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1yua n ASP 11 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1yua n ASP 11 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1yua n PRO 12 N -0.83 0.00 -2.96 -0.24 -0.02 -1.26 -4.63 135.00 125.07 1yua n PRO 12 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1yua n PRO 12 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 4.58 -0.08 -1.45 1.01 -1.25 -4.70 120.40 118.53 1yua s VAL 13 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1yua s VAL 13 Cb 0.00 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1yua s VAL 13 CO 0.00 -0.94 1.66 -2.16 0.00 0.00 0.00 175.10 173.66 1yua s PRO 14 N 3.43 4.12 -0.72 2.72 0.04 -1.26 0.73 135.00 144.05 1yua s PRO 14 Ca 0.26 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1yua s PRO 14 Cb -0.14 -4.00 0.30 0.00 0.04 0.00 0.00 34.50 30.70 1yua s PRO 14 CO 0.18 -0.92 1.07 1.28 0.04 0.00 0.00 177.00 178.65 1yua n LEU 15 N 7.37 4.90 0.16 -3.56 4.77 -0.67 -4.83 117.00 125.13 1yua n LEU 15 Ca 0.18 -5.51 0.06 0.00 -0.03 0.00 0.00 56.01 50.70 1yua n LEU 15 Cb 0.43 -0.77 0.52 0.00 -2.33 0.00 0.00 43.42 41.28 1yua n LEU 15 CO 0.63 2.14 1.04 1.55 -1.33 0.00 0.00 177.39 181.42 1yua h PRO 16 N 3.83 0.18 -1.09 3.23 0.13 -1.89 -0.20 132.00 136.20 1yua h PRO 16 Ca 0.22 -0.02 0.31 0.00 -0.87 0.00 0.00 66.00 65.65 1yua h PRO 16 Cb 0.54 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1yua h PRO 16 CO 0.94 0.18 0.84 1.49 -0.23 0.00 0.00 178.00 181.22 1yua h GLU 17 N 0.18 0.00 -4.20 0.86 4.81 -1.96 -2.87 114.58 111.39 1yua h GLU 17 Ca 0.05 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.55 1yua h GLU 17 Cb 0.10 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.17 1yua h GLU 17 CO -0.00 0.00 -0.38 -1.17 -0.73 0.00 0.00 179.01 176.73 1yua s LEU 18 N -8.06 5.65 0.90 1.64 2.96 -0.13 -5.07 118.68 116.56 1yua s LEU 18 Ca -0.05 -2.11 -0.11 0.00 -0.22 0.00 0.00 54.13 51.64 1yua s LEU 18 Cb 0.21 -1.98 0.13 0.00 0.50 0.00 0.00 46.19 45.06 1yua s LEU 18 CO 0.75 -0.62 1.10 -2.16 -1.32 0.00 0.00 176.35 174.09 1yua s PRO 19 N 1.06 1.18 0.00 0.98 0.04 -1.09 -1.95 135.00 135.23 1yua s PRO 19 Ca 0.08 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1yua s PRO 19 Cb -0.24 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1yua s PRO 19 CO -0.02 -2.36 0.00 0.00 0.04 0.00 0.00 177.00 174.66 1yua n GLU 21 N 0.00 4.08 -1.40 0.00 2.13 -1.26 -4.78 120.64 119.41 1yua n GLU 21 Ca 0.00 -4.32 -0.15 0.00 0.66 0.00 0.00 57.16 53.35 1yua n GLU 21 Cb 0.00 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 1yua n GLU 21 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yua n LYS 22 N -0.28 -1.40 -0.65 5.31 4.76 -1.26 -4.91 118.16 119.73 1yua n LYS 22 Ca 0.46 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 1yua n LYS 22 Cb 0.31 -5.16 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 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 -0.74 0.51 -1.46 4.39 2.88 -1.26 -4.98 113.62 112.97 1yua n SER 23 Ca -0.15 -0.52 -0.07 0.00 -1.33 0.00 0.00 58.87 56.81 1yua n SER 23 Cb 0.51 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.09 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 -1.29 3.33 -4.65 -3.46 9.92 -1.26 -4.75 116.55 114.39 1yua n ASP 24 Ca 0.00 -2.67 -0.33 0.00 -0.53 0.00 0.00 54.79 51.27 1yua n ASP 24 Cb 0.00 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 39.75 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 -1.65 3.19 0.57 2.24 0.00 -1.26 -4.90 121.76 119.95 1yua s ALA 25 Ca 0.27 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1yua s ALA 25 Cb 0.22 -1.27 0.06 0.00 0.00 0.00 0.00 23.12 22.13 1yua s ALA 25 CO 0.06 0.63 0.54 1.52 0.00 0.00 0.00 175.76 178.51 1yua s TYR 26 N -1.04 1.38 -1.12 0.00 -0.85 -1.26 -1.89 117.35 112.57 1yua s TYR 26 Ca 0.18 -0.86 -0.06 0.00 -0.52 0.00 0.00 57.07 55.81 1yua s TYR 26 Cb -0.11 -1.97 0.28 0.00 0.38 0.00 0.00 41.96 40.53 1yua s TYR 26 CO 0.09 -0.76 1.46 1.19 -1.52 0.00 0.00 175.55 176.00 1yua n PHE 27 N -1.96 3.11 -0.52 -3.49 3.01 -0.82 -0.61 117.46 116.17 1yua n PHE 27 Ca 0.04 -2.93 -0.29 0.00 1.01 0.00 0.00 57.45 55.28 1yua n PHE 27 Cb 0.64 -1.48 0.24 0.00 -0.01 0.00 0.00 39.48 38.86 1yua n PHE 27 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1yua n VAL 28 N 2.01 0.00 -3.67 -4.37 0.24 0.01 -1.67 118.33 110.88 1yua n VAL 28 Ca 0.28 -0.41 -0.38 0.00 -2.04 0.00 0.00 64.34 61.79 1yua n VAL 28 Cb 0.35 -0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 31.73 1yua n VAL 28 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1yua s LEU 29 N -5.90 5.44 0.37 1.34 0.20 0.22 -0.73 118.68 119.62 1yua s LEU 29 Ca 0.66 -2.91 -0.07 0.00 0.69 0.00 0.00 54.13 52.50 1yua s LEU 29 Cb -0.23 -1.90 -0.06 0.00 -0.43 0.00 0.00 46.19 43.58 1yua s LEU 29 CO 0.65 -0.38 0.68 -0.13 -0.29 0.00 0.00 176.35 176.89 1yua s ARG 30 N -0.14 3.69 -0.48 1.98 3.00 -0.51 -3.75 118.95 122.74 1yua s ARG 30 Ca 0.18 0.24 -0.02 0.00 0.00 0.00 0.00 55.73 56.12 1yua s ARG 30 Cb -0.18 -2.50 0.13 0.00 0.00 0.00 0.00 34.95 32.40 1yua s ARG 30 CO -0.04 0.05 0.27 0.16 0.00 0.00 0.00 175.30 175.74 1yua s ASP 31 N -3.29 5.19 0.91 0.23 -4.77 -1.26 -1.62 116.67 112.06 1yua s ASP 31 Ca 0.48 -2.33 -0.10 0.00 -3.30 0.00 0.00 52.55 47.30 1yua s ASP 31 Cb -0.10 -1.82 0.15 0.00 -1.09 0.00 0.00 42.92 40.06 1yua s ASP 31 CO 0.32 -0.47 0.34 0.61 0.70 0.00 0.00 175.17 176.67 1yua n GLY 32 N 4.18 -2.25 2.01 2.12 0.00 -0.53 -4.63 105.19 106.07 1yua n GLY 32 Ca 0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.70 5.62 0.00 4.61 0.00 -1.26 -3.95 120.51 121.84 1yua n ALA 33 Ca -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1yua n ALA 33 Cb 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.35 0.00 -3.00 0.00 0.00 -1.26 -5.16 120.51 112.44 1yua n ALA 34 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1yua n ALA 34 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.21 4.37 3.76 0.00 0.00 -1.25 -4.79 105.19 106.06 1yua n GLY 35 Ca 0.00 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1yua n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yua s VAL 36 N -1.12 1.92 -0.29 1.61 -7.23 -1.26 -1.46 120.40 112.57 1yua s VAL 36 Ca 0.00 -1.76 -0.33 0.00 -1.81 0.00 0.00 61.98 58.08 1yua s VAL 36 Cb 0.00 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.44 1yua s VAL 36 CO 0.00 0.00 1.38 0.72 -0.31 0.00 0.00 175.10 176.89 1yua s PHE 37 N -2.70 -0.01 -0.57 2.82 -0.71 -0.64 -4.04 117.98 112.12 1yua s PHE 37 Ca 0.32 0.02 -0.21 0.00 -1.04 0.00 0.00 56.93 56.02 1yua s PHE 37 Cb 0.03 0.50 0.07 0.00 -1.21 0.00 0.00 43.02 42.41 1yua s PHE 37 CO 0.18 -0.01 0.80 -0.51 -1.34 0.00 0.00 175.22 174.34 1yua s LEU 38 N -1.43 4.69 0.17 -1.99 2.01 -0.91 -1.43 118.68 119.79 1yua s LEU 38 Ca 0.10 -0.91 -0.14 0.00 0.01 0.00 0.00 54.13 53.19 1yua s LEU 38 Cb -0.01 -2.50 -0.07 0.00 0.01 0.00 0.00 46.19 43.62 1yua s LEU 38 CO -0.06 -1.16 0.58 0.00 1.01 0.00 0.00 176.35 176.71 1yua s ALA 39 N 3.33 3.55 0.42 4.21 0.00 0.09 -3.84 121.76 129.52 1yua s ALA 39 Ca 0.20 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 1yua s ALA 39 Cb -0.18 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.29 1yua s ALA 39 CO 0.12 0.44 1.00 0.00 0.00 0.00 0.00 175.76 177.32 1yua s ALA 40 N -1.52 3.04 -0.87 0.00 0.00 -1.26 -0.81 121.76 120.34 1yua s ALA 40 Ca 0.40 0.56 0.17 0.00 0.00 0.00 0.00 51.96 53.09 1yua s ALA 40 Cb -0.15 -3.22 0.72 0.00 0.00 0.00 0.00 23.12 20.48 1yua s ALA 40 CO 0.19 -0.07 1.54 -1.71 0.00 0.00 0.00 175.76 175.71 1yua n ASN 41 N -0.34 0.17 -0.20 0.00 5.15 0.22 -1.65 115.26 118.61 1yua n ASN 41 Ca 0.06 0.54 0.13 0.00 -0.60 0.00 0.00 54.58 54.71 1yua n ASN 41 Cb 0.52 -0.58 0.34 0.00 -0.53 0.00 0.00 39.78 39.53 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1yua n THR 42 N -1.69 0.00 -1.40 -0.44 -2.24 -1.26 -4.91 114.28 102.35 1yua n THR 42 Ca 0.03 -0.10 -0.47 0.00 -2.27 0.00 0.00 64.05 61.24 1yua n THR 42 Cb 0.19 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.83 -0.59 1.14 4.78 -0.00 -0.66 -0.10 117.46 121.21 1yua n PHE 43 Ca 0.11 0.94 0.14 0.00 -0.00 0.00 0.00 57.45 58.64 1yua n PHE 43 Cb 0.35 -1.95 0.67 0.00 -0.00 0.00 0.00 39.48 38.54 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 -0.33 -7.13 -0.04 -1.26 -4.80 135.00 122.61 1yua n PRO 44 Ca 0.17 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.89 1yua n PRO 44 Cb 0.26 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.00 0.14 -4.38 0.54 3.64 -0.90 -3.14 116.57 112.46 1yua h LYS 45 Ca 0.00 -0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.65 1yua h LYS 45 Cb 0.42 -0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 31.92 1yua h LYS 45 CO 0.00 0.09 -0.44 0.45 -2.27 0.00 0.00 179.45 177.28 1yua s SER 46 N -4.76 5.62 -0.18 4.20 0.15 -1.22 -4.92 113.70 112.59 1yua s SER 46 Ca -0.10 -1.74 0.04 0.00 0.70 0.00 0.00 55.95 54.84 1yua s SER 46 Cb 0.31 -1.98 0.34 0.00 -1.71 0.00 0.00 66.02 62.99 1yua s SER 46 CO 0.78 -0.61 1.32 0.54 1.20 0.00 0.00 173.24 176.47 1yua n ARG 47 N 4.88 2.04 -1.24 5.44 1.74 -1.19 -4.21 116.66 124.12 1yua n ARG 47 Ca -0.08 -1.46 -0.20 0.00 -0.77 0.00 0.00 57.85 55.34 1yua n ARG 47 Cb 0.42 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.08 2.16 -4.18 5.56 1.02 -1.26 -4.86 120.64 119.00 1yua n GLU 48 Ca 0.23 -1.73 -0.34 0.00 -0.02 0.00 0.00 57.16 55.30 1yua n GLU 48 Cb 0.94 -2.01 -0.13 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.04 3.64 0.15 2.62 -4.23 -1.25 -4.57 115.64 110.96 1yua s THR 49 Ca 0.58 -0.42 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 1yua s THR 49 Cb 0.34 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.63 1yua s THR 49 CO -0.12 0.45 1.06 -0.60 -0.54 0.00 0.00 174.62 174.87 1yua s ARG 50 N 0.94 1.17 0.37 3.99 3.52 -1.25 -4.89 118.95 122.80 1yua s ARG 50 Ca 0.00 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.62 1yua s ARG 50 Cb -0.15 0.34 -0.13 0.00 -1.56 0.00 0.00 34.95 33.45 1yua s ARG 50 CO 0.01 -0.55 0.74 0.00 -0.81 0.00 0.00 175.30 174.69 1yua n ALA 51 N -0.68 -1.01 -2.57 6.12 0.00 -1.26 -2.13 120.51 118.98 1yua n ALA 51 Ca -0.03 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1yua n ALA 51 Cb 0.60 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.62 4.35 0.32 0.00 0.04 -1.26 -4.59 135.00 132.24 1yua s PRO 52 Ca 0.62 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1yua s PRO 52 Cb -0.64 -3.59 -0.12 0.00 0.04 0.00 0.00 34.50 30.18 1yua s PRO 52 CO 0.58 -0.46 1.37 -0.11 0.04 0.00 0.00 177.00 178.42 1yua n LEU 53 N 5.47 3.68 0.24 -3.56 0.00 -1.26 -2.08 117.00 119.49 1yua n LEU 53 Ca 0.11 1.19 0.15 0.00 0.00 0.00 0.00 56.01 57.46 1yua n LEU 53 Cb 0.47 -1.50 0.83 0.00 0.00 0.00 0.00 43.42 43.22 1yua n LEU 53 CO 0.54 -0.35 1.13 0.58 0.00 0.00 0.00 177.39 179.29 1yua h VAL 54 N 2.77 0.58 0.05 1.96 2.07 -1.71 -0.01 116.25 121.97 1yua h VAL 54 Ca -0.46 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.80 1yua h VAL 54 Cb 1.27 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1yua h VAL 54 CO 0.67 0.00 -1.08 1.05 0.02 0.00 0.00 177.57 178.23 1yua h GLU 55 N 0.00 0.49 0.00 1.57 4.11 -1.82 -1.56 114.58 117.36 1yua h GLU 55 Ca 0.05 -0.59 -0.03 0.00 0.07 0.00 0.00 59.36 58.86 1yua h GLU 55 Cb 0.27 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1yua h GLU 55 CO -0.00 1.22 -0.17 0.93 0.07 0.00 0.00 179.01 181.07 1yua h GLU 56 N 0.24 0.00 0.14 1.06 3.07 -1.45 -2.47 114.58 115.18 1yua h GLU 56 Ca -0.12 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.43 1yua h GLU 56 Cb 1.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1yua h GLU 56 CO 0.19 0.17 -1.46 1.25 -1.40 0.00 0.00 179.01 177.76 1yua h LEU 57 N 0.00 0.47 -0.34 1.33 5.85 -0.99 -2.13 115.31 119.50 1yua h LEU 57 Ca -0.00 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 1yua h LEU 57 Cb 0.82 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1yua h LEU 57 CO 0.02 1.48 -0.09 0.22 -0.34 0.00 0.00 178.44 179.73 1yua h TYR 58 N 0.08 0.75 -0.05 1.25 5.03 -1.17 -1.87 116.97 120.99 1yua h TYR 58 Ca -0.22 -0.16 -0.12 0.00 2.58 0.00 0.00 58.73 60.80 1yua h TYR 58 Cb 2.03 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 40.11 1yua h TYR 58 CO 0.07 0.84 -0.54 -0.09 -1.32 0.00 0.00 178.16 177.12 1yua h ARG 59 N 0.45 0.14 -0.76 1.82 2.43 -1.55 -2.45 114.38 114.47 1yua h ARG 59 Ca 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yua h ARG 59 Cb 0.60 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1yua h ARG 59 CO 0.04 0.65 0.00 1.19 -1.51 0.00 0.00 179.97 180.33 1yua n PHE 60 N -3.91 0.87 -0.32 2.20 3.01 -0.80 -4.23 117.46 114.27 1yua n PHE 60 Ca -0.02 -0.31 -0.04 0.00 1.01 0.00 0.00 57.45 58.10 1yua n PHE 60 Cb 0.56 -0.25 0.08 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.78 1.16 -0.03 -1.08 9.65 -0.84 0.47 114.38 125.49 1yua h ARG 61 Ca 0.00 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1yua h ARG 61 Cb 1.07 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1yua h ARG 61 CO 0.19 0.79 0.05 -0.44 2.80 0.00 0.00 179.97 183.36 1yua h ASP 62 N 1.18 0.00 -0.00 -3.80 3.32 -1.83 -0.25 116.42 115.04 1yua h ASP 62 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1yua h ASP 62 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1yua h ASP 62 CO -0.06 0.00 -0.67 -1.14 -1.72 0.00 0.00 179.24 175.64 1yua n ARG 63 N -3.58 1.87 -2.22 3.56 0.63 -0.17 -4.93 116.66 111.82 1yua n ARG 63 Ca -0.02 -0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.37 1yua n ARG 63 Cb 0.13 -1.24 -0.02 0.00 0.45 0.00 0.00 32.46 31.78 1yua n ARG 63 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1yua s LEU 64 N -2.63 4.25 0.00 6.15 0.20 0.15 -4.86 118.68 121.93 1yua s LEU 64 Ca 0.07 1.95 0.00 0.00 0.69 0.00 0.00 54.13 56.84 1yua s LEU 64 Cb 0.12 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.34 1yua s LEU 64 CO 0.60 -0.85 0.63 -0.81 -0.29 0.00 0.00 176.35 175.63 1yua n PRO 65 N 6.88 0.95 -0.52 0.98 -0.04 -1.26 -4.79 135.00 137.20 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 0.44 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.18 0.00 0.00 0.54 2.13 -1.26 -4.77 120.64 117.46 1yua n GLU 66 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1yua n GLU 66 Cb 0.31 -3.70 0.25 0.00 0.27 0.00 0.00 31.44 28.57 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 -2.00 0.19 -1.01 5.31 4.81 -1.26 -2.53 118.16 121.68 1yua n LYS 67 Ca 0.00 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1yua n LYS 67 Cb 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.53 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yua n LEU 68 N -1.17 -0.03 -0.26 3.14 4.32 -1.26 -4.97 117.00 116.77 1yua n LEU 68 Ca 0.05 -1.69 -0.11 0.00 -0.02 0.00 0.00 56.01 54.24 1yua n LEU 68 Cb 0.06 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.77 1yua n LEU 68 CO 0.06 0.90 0.51 -0.09 -1.22 0.00 0.00 177.39 177.55 1yua h ARG 69 N 0.33 -0.20 -0.96 3.23 9.65 -1.87 0.38 114.38 124.94 1yua h ARG 69 Ca -0.28 0.01 0.30 0.00 -1.10 0.00 0.00 59.98 58.91 1yua h ARG 69 Cb 1.50 0.05 -0.17 0.00 -1.39 0.00 0.00 29.97 29.96 1yua h ARG 69 CO -0.07 -0.14 0.25 0.10 2.80 0.00 0.00 179.97 182.91 1yua h TYR 70 N -0.21 0.35 -0.37 2.20 -0.00 -1.93 0.65 116.97 117.66 1yua h TYR 70 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 58.73 58.89 1yua h TYR 70 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.24 1yua h TYR 70 CO -0.84 -0.36 0.12 -0.07 -0.00 0.00 0.00 178.16 177.01 1yua h LEU 71 N 0.09 0.53 0.00 0.10 3.38 -0.68 -1.42 115.31 117.32 1yua h LEU 71 Ca 0.65 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1yua h LEU 71 Cb 1.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1yua h LEU 71 CO -0.78 0.59 0.00 0.00 0.09 0.00 0.00 178.44 178.34 1yua n ALA 72 N -2.32 1.82 0.41 1.53 0.00 0.19 -2.17 120.51 119.98 1yua n ALA 72 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1yua n ALA 72 Cb 0.17 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.50 0.54 -4.79 0.00 8.00 0.72 -4.63 116.55 114.89 1yua n ASP 73 Ca 0.04 -0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 1yua n ASP 73 Cb 0.21 1.02 0.05 0.00 -0.02 0.00 0.00 41.12 42.38 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 74 N -3.27 2.55 0.93 2.24 0.00 -0.63 -4.98 121.76 118.60 1yua s ALA 74 Ca 0.01 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 1yua s ALA 74 Cb 0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 1yua s ALA 74 CO 0.83 -1.28 0.22 -2.30 0.00 0.00 0.00 175.76 173.23 1yua n PRO 75 N -2.88 -0.18 -2.50 0.00 -0.02 -1.26 -4.95 135.00 123.21 1yua n PRO 75 Ca 0.09 -0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1yua n PRO 75 Cb 0.53 -1.71 0.05 0.00 -0.02 0.00 0.00 33.50 32.34 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 -0.92 1.86 0.00 -0.52 10.64 -1.26 -4.71 117.38 122.48 1yua n GLN 76 Ca 0.06 -3.46 0.00 0.00 -1.83 0.00 0.00 57.00 51.77 1yua n GLN 76 Cb 0.54 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 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 -0.52 0.00 0.00 2.61 10.64 -1.25 -2.38 117.38 126.48 1yua n GLN 77 Ca 0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1yua n GLN 77 Cb 0.86 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.24 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 0.00 0.20 2.61 2.03 -1.26 -1.87 116.55 118.26 1yua n ASP 78 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1yua n ASP 78 Cb 0.00 0.11 0.49 0.00 -0.72 0.00 0.00 41.12 41.00 1yua n ASP 78 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yua h PRO 79 N 0.00 0.00 0.04 -0.67 0.11 -2.00 0.88 132.00 130.36 1yua h PRO 79 Ca 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 1yua h PRO 79 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1yua h PRO 79 CO 0.00 0.00 -1.73 1.49 -0.21 0.00 0.00 178.00 177.55 1yua h GLU 80 N 0.00 0.09 0.00 1.05 4.22 -2.04 -3.48 114.58 114.41 1yua h GLU 80 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1yua h GLU 80 Cb 0.52 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1yua h GLU 80 CO 0.00 0.75 0.00 0.41 -2.18 0.00 0.00 179.01 177.99 1yua n GLY 81 N 1.66 1.38 3.50 1.92 0.00 0.30 -5.03 105.19 108.93 1yua n GLY 81 Ca -0.20 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.40 -3.01 1.61 6.94 -0.78 -4.60 115.26 115.01 1yua n ASN 82 Ca 0.00 -0.19 -0.28 0.00 -0.02 0.00 0.00 54.58 54.09 1yua n ASN 82 Cb 0.00 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 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 7.21 0.00 -4.33 -3.83 4.01 -1.26 -3.94 118.16 116.03 1yua n LYS 83 Ca 0.66 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 58.21 1yua n LYS 83 Cb 0.10 -0.71 -0.17 0.00 -0.51 0.00 0.00 35.03 33.75 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1yua s THR 84 N -1.33 1.07 0.46 -0.18 2.01 -1.00 -0.41 115.64 116.26 1yua s THR 84 Ca 0.41 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 62.09 1yua s THR 84 Cb -0.39 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1yua s THR 84 CO 0.46 0.35 0.46 0.00 -0.69 0.00 0.00 174.62 175.20 1yua s MET 85 N 1.04 2.50 0.46 4.92 0.23 -1.02 -2.20 119.30 125.23 1yua s MET 85 Ca -0.08 -1.59 -0.15 0.00 -1.03 0.00 0.00 55.69 52.85 1yua s MET 85 Cb -0.15 -2.42 -0.08 0.00 -1.53 0.00 0.00 34.83 30.66 1yua s MET 85 CO -0.01 -0.36 0.89 0.08 -2.03 0.00 0.00 175.02 173.60 1yua s VAL 86 N -2.53 4.62 0.10 5.16 1.01 -0.88 -1.27 120.40 126.60 1yua s VAL 86 Ca 0.48 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.50 1yua s VAL 86 Cb -0.04 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1yua s VAL 86 CO 0.29 -0.58 0.08 0.54 0.00 0.00 0.00 175.10 175.44 1yua n ARG 87 N -1.35 0.12 -3.68 2.72 5.12 0.20 -4.51 116.66 115.29 1yua n ARG 87 Ca 0.05 -0.95 -0.15 0.00 -1.93 0.00 0.00 57.85 54.87 1yua n ARG 87 Cb 0.54 0.79 -0.14 0.00 -1.16 0.00 0.00 32.46 32.48 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 -2.48 -0.30 -0.14 -1.55 5.36 -1.26 -2.40 117.98 115.20 1yua s PHE 88 Ca 0.11 0.78 -0.10 0.00 -0.96 0.00 0.00 56.93 56.76 1yua s PHE 88 Cb 0.01 -0.12 -0.05 0.00 -0.34 0.00 0.00 43.02 42.52 1yua s PHE 88 CO 0.08 -0.30 0.19 -1.12 -1.46 0.00 0.00 175.22 172.61 1yua s SER 89 N 2.18 6.38 0.11 6.13 0.01 -1.00 -4.94 113.70 122.57 1yua s SER 89 Ca 0.00 0.44 0.24 0.00 1.31 0.00 0.00 55.95 57.95 1yua s SER 89 Cb -0.12 -2.11 0.30 0.00 0.21 0.00 0.00 66.02 64.30 1yua s SER 89 CO -0.07 0.27 1.27 -1.14 0.41 0.00 0.00 173.24 173.98 1yua n ARG 90 N 2.78 0.29 0.32 12.44 0.63 -1.26 -1.19 116.66 130.67 1yua n ARG 90 Ca -0.17 0.07 0.20 0.00 -0.92 0.00 0.00 57.85 57.04 1yua n ARG 90 Cb 0.53 -1.67 1.06 0.00 0.45 0.00 0.00 32.46 32.83 1yua n ARG 90 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1yua h LYS 91 N 0.00 0.00 0.00 -0.14 6.56 -1.98 -3.16 116.57 117.85 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 0.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1yua h LYS 91 CO 0.00 0.01 -0.10 0.25 -2.06 0.00 0.00 179.45 177.55 1yua n THR 92 N -3.20 0.00 -3.94 -0.16 -2.24 -1.24 -5.03 114.28 98.48 1yua n THR 92 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1yua n THR 92 Cb 0.13 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.00 -0.62 -2.47 -0.78 5.02 -0.33 -4.95 118.16 114.03 1yua n LYS 93 Ca 0.00 0.21 -0.05 0.00 -2.02 0.00 0.00 58.31 56.46 1yua n LYS 93 Cb 0.54 -3.12 -0.02 0.00 -0.02 0.00 0.00 35.03 32.42 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 -4.75 0.47 -4.65 1.97 6.02 -0.97 -4.98 117.38 110.49 1yua n GLN 94 Ca -0.11 -0.69 -0.33 0.00 -0.01 0.00 0.00 57.00 55.86 1yua n GLN 94 Cb 0.57 0.47 -0.13 0.00 1.02 0.00 0.00 30.24 32.17 1yua n GLN 94 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1yua s GLN 95 N -2.30 3.27 -0.02 -1.09 1.11 -1.26 -2.37 119.66 117.00 1yua s GLN 95 Ca 0.06 -0.61 0.01 0.00 0.01 0.00 0.00 55.36 54.83 1yua s GLN 95 Cb 0.00 -2.68 0.02 0.00 -1.01 0.00 0.00 33.01 29.34 1yua s GLN 95 CO 0.04 0.34 -0.00 1.52 0.01 0.00 0.00 175.29 177.20 1yua s TYR 96 N 0.04 0.28 0.54 0.91 -0.85 -1.01 -2.34 117.35 114.92 1yua s TYR 96 Ca -0.03 -0.00 -0.03 0.00 -0.52 0.00 0.00 57.07 56.49 1yua s TYR 96 Cb -0.14 -0.34 0.00 0.00 0.38 0.00 0.00 41.96 41.86 1yua s TYR 96 CO 0.04 -0.10 0.81 0.14 -1.52 0.00 0.00 175.55 174.92 1yua s VAL 97 N 0.76 3.77 -0.18 -3.49 -7.23 -0.13 0.61 120.40 114.51 1yua s VAL 97 Ca -0.08 -0.19 -0.08 0.00 -1.81 0.00 0.00 61.98 59.83 1yua s VAL 97 Cb -0.11 -3.46 0.08 0.00 0.56 0.00 0.00 36.38 33.45 1yua s VAL 97 CO -0.01 -0.41 0.41 -0.44 -0.31 0.00 0.00 175.10 174.33 1yua s SER 98 N -4.27 -0.34 1.13 4.85 0.01 -0.40 -0.04 113.70 114.64 1yua s SER 98 Ca 0.52 0.93 -0.13 0.00 1.31 0.00 0.00 55.95 58.58 1yua s SER 98 Cb -0.10 1.06 0.27 0.00 0.21 0.00 0.00 66.02 67.45 1yua s SER 98 CO 0.42 -0.22 1.04 -0.94 0.41 0.00 0.00 173.24 173.96 1yua s SER 99 N 2.06 1.28 -0.15 2.44 1.04 -0.99 -2.43 113.70 116.96 1yua s SER 99 Ca -0.05 1.50 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 1yua s SER 99 Cb -0.10 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.81 1yua s SER 99 CO -0.13 -4.01 0.36 -1.61 0.98 0.00 0.00 173.24 168.84 1yua s GLU 100 N -4.54 0.37 -0.34 4.02 2.02 0.46 -4.22 118.70 116.45 1yua s GLU 100 Ca 0.68 0.63 0.04 0.00 0.02 0.00 0.00 54.97 56.34 1yua s GLU 100 Cb -0.24 0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.14 1yua s GLU 100 CO 0.63 -0.12 0.06 0.15 0.02 0.00 0.00 175.26 176.01 1yua s LYS 101 N 0.90 1.44 0.00 1.61 1.02 -1.26 -4.09 119.74 119.36 1yua s LYS 101 Ca -0.06 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1yua s LYS 101 Cb -0.06 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1yua s LYS 101 CO -0.07 -0.95 0.00 -3.47 -0.92 0.00 0.00 175.35 169.94 1yua n ASP 102 N 4.25 -3.41 -0.22 2.83 2.03 -1.26 -2.94 116.55 117.84 1yua n ASP 102 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1yua n ASP 102 Cb 0.42 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 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 -1.34 0.79 0.00 0.27 0.00 -1.26 -5.00 105.19 98.64 1yua n GLY 103 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.22 -0.68 0.00 1.61 2.85 -1.15 -5.01 118.16 115.57 1yua n LYS 104 Ca 0.00 -0.35 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 1yua n LYS 104 Cb 0.15 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 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 -0.00 0.00 0.00 0.58 0.00 -1.26 -4.60 120.51 115.23 1yua n ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yua n ALA 105 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1yua n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yua n THR 106 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -3.58 114.28 107.20 1yua n THR 106 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yua n THR 106 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1yua n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yua n GLY 107 N 0.00 0.84 3.77 3.38 0.00 -1.26 -5.04 105.19 106.88 1yua n GLY 107 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1yua n GLY 107 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1yua s TRP 108 N -2.00 3.67 -0.29 1.61 -0.00 -1.24 -3.67 118.94 117.02 1yua s TRP 108 Ca 0.00 1.15 0.02 0.00 -0.00 0.00 0.00 56.10 57.28 1yua s TRP 108 Cb 0.00 -2.57 0.17 0.00 -0.00 0.00 0.00 33.47 31.07 1yua s TRP 108 CO 0.00 0.37 0.46 -1.54 -0.00 0.00 0.00 176.95 176.24 1yua s SER 109 N -0.22 -0.25 0.29 5.86 1.04 -1.26 -2.34 113.70 116.83 1yua s SER 109 Ca 0.30 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.52 1yua s SER 109 Cb -0.18 1.41 -0.07 0.00 0.10 0.00 0.00 66.02 67.28 1yua s SER 109 CO 0.16 -0.33 0.64 0.00 0.98 0.00 0.00 173.24 174.69 1yua s ALA 110 N 2.64 3.46 -0.01 5.32 0.00 0.95 -1.98 121.76 132.13 1yua s ALA 110 Ca 0.11 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.95 1yua s ALA 110 Cb -0.12 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1yua s ALA 110 CO -0.27 0.34 -0.26 -0.06 0.00 0.00 0.00 175.76 175.51 1yua s PHE 111 N -1.99 2.33 -0.56 0.00 0.40 -0.82 -0.96 117.98 116.39 1yua s PHE 111 Ca 0.50 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 56.18 1yua s PHE 111 Cb -0.11 -1.48 0.06 0.00 0.51 0.00 0.00 43.02 42.00 1yua s PHE 111 CO 0.23 -0.01 0.81 -0.47 0.70 0.00 0.00 175.22 176.48 1yua s TYR 112 N -0.64 2.88 0.00 0.36 5.04 -0.99 0.28 117.35 124.28 1yua s TYR 112 Ca 0.10 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1yua s TYR 112 Cb -0.10 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1yua s TYR 112 CO -0.00 -1.28 0.00 0.28 -1.34 0.00 0.00 175.55 173.21 1yua n VAL 113 N 5.88 0.00 -2.01 3.14 0.31 -0.54 -4.78 118.33 120.33 1yua n VAL 113 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.04 1yua n VAL 113 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 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 4.94 -0.96 4.52 1.11 -1.26 -2.86 116.67 121.17 1yua s ASP 114 Ca 0.00 -1.03 0.00 0.00 0.18 0.00 0.00 52.55 51.70 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1yua s ASP 114 CO 0.00 -3.04 0.00 0.61 1.18 0.00 0.00 175.17 173.92 1yua n GLY 115 N 6.42 0.02 2.77 0.21 0.00 -1.26 -4.83 105.19 108.51 1yua n GLY 115 Ca 0.42 0.00 -0.28 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 -2.38 1.76 -1.02 1.61 4.76 -1.13 -5.10 118.16 116.66 1yua n LYS 116 Ca -0.12 -4.37 -0.34 0.00 -2.87 0.00 0.00 58.31 50.62 1yua n LYS 116 Cb 0.50 -2.20 0.12 0.00 -1.84 0.00 0.00 35.03 31.61 1yua n LYS 116 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1yua n TRP 117 N 1.86 0.01 -3.99 2.13 7.02 -1.25 -1.47 117.44 121.74 1yua n TRP 117 Ca 0.22 0.35 -0.08 0.00 -1.02 0.00 0.00 57.50 56.97 1yua n TRP 117 Cb 0.38 -1.96 -0.03 0.00 -2.42 0.00 0.00 31.31 27.27 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 -3.26 0.00 -3.61 -0.99 0.24 0.14 -4.80 118.33 106.05 1yua n VAL 118 Ca 0.11 -1.02 -0.07 0.00 -2.04 0.00 0.00 64.34 61.32 1yua n VAL 118 Cb 0.51 0.55 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 1yua n VAL 118 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1yua s GLU 119 N -2.53 0.37 0.42 7.34 -1.05 -1.26 -1.95 118.70 120.04 1yua s GLU 119 Ca 0.17 1.05 0.07 0.00 -0.15 0.00 0.00 54.97 56.10 1yua s GLU 119 Cb 0.00 0.34 0.07 0.00 -0.44 0.00 0.00 34.13 34.10 1yua s GLU 119 CO 0.12 -0.29 0.56 0.41 0.95 0.00 0.00 175.26 177.01 1yua n GLY 120 N 5.40 2.03 2.77 -3.83 0.00 -0.84 -4.97 105.19 105.75 1yua n GLY 120 Ca -0.08 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.56 1yua n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yua s LYS 121 N -3.89 0.29 0.00 1.61 -2.85 -1.26 -4.15 119.74 109.49 1yua s LYS 121 Ca 0.42 0.01 0.28 0.00 -1.00 0.00 0.00 55.97 55.69 1yua s LYS 121 Cb -0.03 -0.78 1.02 0.00 -2.06 0.00 0.00 37.83 35.98 1yua s LYS 121 CO 0.27 -0.89 1.73 1.63 0.10 0.00 0.00 175.35 178.19