#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua h ASN 2 N 0.00 0.45 0.00 7.83 2.35 -2.11 -3.49 115.58 120.61 1yua h ASN 2 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1yua h ASN 2 Cb 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1yua h ASN 2 CO 0.00 0.68 0.00 0.61 -1.65 0.00 0.00 177.43 177.07 1yua n GLY 3 N -0.25 1.79 2.81 2.83 0.00 -1.26 -5.06 105.19 106.05 1yua n GLY 3 Ca -0.04 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 1.55 1.63 -3.48 1.61 2.13 -1.26 -5.02 120.64 117.80 1yua n GLU 4 Ca 0.00 -3.39 -0.43 0.00 0.66 0.00 0.00 57.16 54.01 1yua n GLU 4 Cb 0.00 -1.48 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 1yua n GLU 4 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1yua s VAL 5 N -3.56 4.60 -0.28 6.31 1.01 -1.26 -4.77 120.40 122.44 1yua s VAL 5 Ca 0.26 -1.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.22 1yua s VAL 5 Cb 0.35 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1yua s VAL 5 CO -0.03 -0.84 0.23 0.00 0.00 0.00 0.00 175.10 174.45 1yua n ALA 6 N 4.72 -2.87 -0.58 5.51 0.00 -1.26 -4.91 120.51 121.12 1yua n ALA 6 Ca -0.05 0.52 -0.24 0.00 0.00 0.00 0.00 53.44 53.67 1yua n ALA 6 Cb 0.41 -1.70 0.16 0.00 0.00 0.00 0.00 19.45 18.32 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 0.49 -2.05 -0.34 0.00 -0.02 -1.26 -4.78 135.00 127.04 1yua n PRO 7 Ca 0.02 -0.60 0.16 0.00 -2.02 0.00 0.00 63.50 61.06 1yua n PRO 7 Cb 0.32 -1.54 0.39 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.44 0.61 0.00 0.52 0.11 -2.01 -3.42 132.00 125.37 1yua h PRO 8 Ca -0.35 -0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.21 1yua h PRO 8 Cb 1.01 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1yua h PRO 8 CO 0.23 0.40 -0.26 1.63 -0.21 0.00 0.00 178.00 179.79 1yua n LYS 9 N -4.74 0.80 0.00 1.05 4.76 -1.26 -5.07 118.16 113.70 1yua n LYS 9 Ca 0.24 -3.04 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 1yua n LYS 9 Cb 0.68 0.40 0.00 0.00 -1.84 0.00 0.00 35.03 34.27 1yua n LYS 9 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1yua n GLU 10 N -1.55 0.95 -4.00 1.97 -0.58 -1.26 -4.98 120.64 111.19 1yua n GLU 10 Ca -0.04 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 1yua n GLU 10 Cb 0.55 -0.74 0.02 0.00 -0.57 0.00 0.00 31.44 30.70 1yua n GLU 10 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1yua n ASP 11 N -1.62 -4.39 -2.88 1.62 5.75 -1.26 -4.94 116.55 108.84 1yua n ASP 11 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 1yua n ASP 11 Cb 0.24 -1.85 0.00 0.00 -1.03 0.00 0.00 41.12 38.49 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1yua n PRO 12 N -4.62 0.97 -3.78 0.11 -0.04 -1.26 -5.01 135.00 121.37 1yua n PRO 12 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1yua n PRO 12 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 1yua n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1yua n VAL 13 N -0.14 2.28 -1.59 0.52 0.31 -0.92 -4.93 118.33 113.87 1yua n VAL 13 Ca 0.00 -4.99 -0.54 0.00 -0.01 0.00 0.00 64.34 58.80 1yua n VAL 13 Cb 0.00 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 30.59 1yua n VAL 13 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1yua n PRO 14 N 2.08 0.93 -2.44 5.55 -0.02 -1.26 -1.23 135.00 138.60 1yua n PRO 14 Ca 0.21 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.75 1yua n PRO 14 Cb 0.36 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.60 4.91 -0.59 2.45 4.77 -0.74 -4.79 117.00 125.62 1yua n LEU 15 Ca 0.20 -5.19 0.46 0.00 -0.03 0.00 0.00 56.01 51.44 1yua n LEU 15 Cb 0.16 -0.50 0.71 0.00 -2.33 0.00 0.00 43.42 41.45 1yua n LEU 15 CO 0.64 2.21 1.34 -2.65 -1.33 0.00 0.00 177.39 177.60 1yua n PRO 16 N -0.48 0.00 -0.09 3.23 -0.02 -1.26 0.18 135.00 136.55 1yua n PRO 16 Ca 0.40 0.99 -0.06 0.00 -2.02 0.00 0.00 63.50 62.81 1yua n PRO 16 Cb 0.63 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.07 -6.11 -0.52 4.81 -1.94 -3.40 114.58 107.49 1yua h GLU 17 Ca 0.81 -0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 59.48 1yua h GLU 17 Cb 3.38 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 32.69 1yua h GLU 17 CO -0.01 0.04 0.06 -1.17 -0.73 0.00 0.00 179.01 177.20 1yua s LEU 18 N -10.47 4.39 0.82 1.64 2.96 0.13 -5.05 118.68 113.09 1yua s LEU 18 Ca -0.13 1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1yua s LEU 18 Cb 0.13 -3.04 0.08 0.00 0.50 0.00 0.00 46.19 43.86 1yua s LEU 18 CO 0.70 0.01 1.09 -2.16 -1.32 0.00 0.00 176.35 174.67 1yua s PRO 19 N 0.20 1.87 0.00 0.98 0.04 -1.26 -2.66 135.00 134.16 1yua s PRO 19 Ca 0.35 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1yua s PRO 19 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1yua s PRO 19 CO 0.19 -1.80 0.00 0.00 0.04 0.00 0.00 177.00 175.43 1yua n GLU 21 N -0.99 2.62 -1.64 0.00 2.13 -1.26 -4.80 120.64 116.69 1yua n GLU 21 Ca 0.00 -3.18 -0.12 0.00 0.66 0.00 0.00 57.16 54.53 1yua n GLU 21 Cb 0.00 -2.23 -0.04 0.00 0.27 0.00 0.00 31.44 29.44 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 22 N -0.69 -1.53 0.00 5.31 0.00 -1.26 -4.87 118.16 115.12 1yua n LYS 22 Ca 0.58 0.67 0.00 0.00 0.00 0.00 0.00 58.31 59.56 1yua n LYS 22 Cb 0.56 -4.99 0.00 0.00 0.00 0.00 0.00 35.03 30.60 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 -0.74 1.44 0.00 3.14 2.88 -1.26 -4.98 113.62 114.09 1yua n SER 23 Ca -0.13 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1yua n SER 23 Cb 0.45 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.67 1yua n SER 23 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yua n ASP 24 N 0.00 0.00 -4.88 -3.46 5.68 -1.26 -4.72 116.55 107.92 1yua n ASP 24 Ca 0.00 -0.72 -0.30 0.00 -0.50 0.00 0.00 54.79 53.27 1yua n ASP 24 Cb 0.00 -0.04 0.02 0.00 -1.14 0.00 0.00 41.12 39.95 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yua s ALA 25 N -2.08 3.10 0.00 2.12 0.00 -1.26 -5.02 121.76 118.62 1yua s ALA 25 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1yua s ALA 25 Cb 0.18 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1yua s ALA 25 CO 0.32 -0.74 0.00 2.48 0.00 0.00 0.00 175.76 177.81 1yua n TYR 26 N -2.75 0.00 -3.72 0.00 4.11 -1.26 -2.68 117.16 110.85 1yua n TYR 26 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.59 1yua n TYR 26 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.79 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 -1.53 3.41 -0.34 -3.48 0.08 -1.09 -1.90 117.98 113.14 1yua s PHE 27 Ca 0.00 -2.71 -0.29 0.00 0.12 0.00 0.00 56.93 54.05 1yua s PHE 27 Cb 0.00 -3.20 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1yua s PHE 27 CO 0.00 -0.85 1.18 0.08 -0.10 0.00 0.00 175.22 175.54 1yua s VAL 28 N -0.02 4.30 -0.63 -0.44 1.01 -0.74 -1.78 120.40 122.09 1yua s VAL 28 Ca 0.17 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1yua s VAL 28 Cb -0.20 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 1yua s VAL 28 CO -0.03 -0.58 2.48 -0.11 0.00 0.00 0.00 175.10 176.85 1yua n LEU 29 N 7.39 1.66 -4.79 3.92 0.00 -0.37 -2.45 117.00 122.35 1yua n LEU 29 Ca 0.13 -0.16 -0.36 0.00 0.00 0.00 0.00 56.01 55.62 1yua n LEU 29 Cb 0.47 -1.33 -0.07 0.00 0.00 0.00 0.00 43.42 42.49 1yua n LEU 29 CO 0.63 -1.18 -0.21 -0.13 0.00 0.00 0.00 177.39 176.50 1yua s ARG 30 N 8.23 3.45 -0.29 1.96 3.00 -0.09 -2.16 118.95 133.06 1yua s ARG 30 Ca 1.12 -0.23 -0.09 0.00 0.00 0.00 0.00 55.73 56.53 1yua s ARG 30 Cb -0.61 -3.12 -0.02 0.00 0.00 0.00 0.00 34.95 31.20 1yua s ARG 30 CO 0.37 0.67 0.13 0.16 0.00 0.00 0.00 175.30 176.62 1yua s ASP 31 N -0.72 5.47 1.02 0.23 -4.77 -1.26 -1.71 116.67 114.92 1yua s ASP 31 Ca 0.13 -0.35 -0.03 0.00 -3.30 0.00 0.00 52.55 49.00 1yua s ASP 31 Cb -0.12 -1.99 0.04 0.00 -1.09 0.00 0.00 42.92 39.77 1yua s ASP 31 CO 0.03 -0.12 0.21 0.61 0.70 0.00 0.00 175.17 176.59 1yua n GLY 32 N 4.97 -1.81 2.09 2.12 0.00 -0.24 -4.89 105.19 107.43 1yua n GLY 32 Ca -0.15 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.23 5.58 0.00 4.61 0.00 -1.26 -4.26 120.51 121.96 1yua n ALA 33 Ca -0.04 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1yua n ALA 33 Cb 0.10 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 0.42 0.00 -2.28 0.00 0.00 -1.26 -5.16 120.51 112.23 1yua n ALA 34 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.63 1yua n ALA 34 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.91 2.21 0.40 0.00 0.00 -1.26 -4.84 107.32 101.92 1yua s GLY 35 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 44.72 42.83 1yua s GLY 35 CO 0.00 -1.49 0.55 -1.34 0.00 0.00 0.00 173.10 170.83 1yua s VAL 36 N -3.55 3.32 0.01 1.40 -7.23 -1.26 -1.07 120.40 112.01 1yua s VAL 36 Ca 0.39 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 1yua s VAL 36 Cb 0.03 -3.13 0.11 0.00 0.56 0.00 0.00 36.38 33.95 1yua s VAL 36 CO 0.24 -0.05 1.25 0.72 -0.31 0.00 0.00 175.10 176.95 1yua s PHE 37 N -2.32 -0.02 -0.35 2.82 -0.71 -0.69 -3.56 117.98 113.14 1yua s PHE 37 Ca 0.52 -0.12 -0.07 0.00 -1.04 0.00 0.00 56.93 56.22 1yua s PHE 37 Cb -0.10 0.57 0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1yua s PHE 37 CO 0.33 -0.36 0.12 -0.51 -1.34 0.00 0.00 175.22 173.46 1yua s LEU 38 N -3.21 4.43 -0.07 -1.99 2.01 -0.95 -0.91 118.68 117.98 1yua s LEU 38 Ca 0.18 -1.19 -0.13 0.00 0.01 0.00 0.00 54.13 53.01 1yua s LEU 38 Cb 0.03 -1.88 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1yua s LEU 38 CO -0.02 -0.35 0.33 0.00 1.01 0.00 0.00 176.35 177.32 1yua s ALA 39 N 1.40 3.69 0.39 4.21 0.00 -1.03 -3.69 121.76 126.74 1yua s ALA 39 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1yua s ALA 39 Cb -0.20 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.50 1yua s ALA 39 CO 0.03 0.38 1.44 0.00 0.00 0.00 0.00 175.76 177.61 1yua s ALA 40 N -0.55 3.48 -1.19 0.00 0.00 -1.25 -1.80 121.76 120.45 1yua s ALA 40 Ca 0.20 1.50 0.11 0.00 0.00 0.00 0.00 51.96 53.77 1yua s ALA 40 Cb -0.15 -3.58 0.52 0.00 0.00 0.00 0.00 23.12 19.91 1yua s ALA 40 CO 0.09 -1.03 1.32 0.27 0.00 0.00 0.00 175.76 176.41 1yua n ASN 41 N 0.33 0.00 -0.93 0.00 2.04 -0.80 -1.69 115.26 114.22 1yua n ASN 41 Ca 0.02 0.34 0.09 0.00 -0.44 0.00 0.00 54.58 54.58 1yua n ASN 41 Cb 0.40 -0.41 0.19 0.00 -2.53 0.00 0.00 39.78 37.44 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1yua n THR 42 N -1.41 0.70 -1.11 5.53 -2.24 -1.26 -4.97 114.28 109.51 1yua n THR 42 Ca 0.04 -0.85 -0.37 0.00 -2.27 0.00 0.00 64.05 60.60 1yua n THR 42 Cb 0.11 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.08 -0.89 1.96 4.78 -0.00 -0.68 -0.59 117.46 123.13 1yua n PHE 43 Ca 0.16 0.68 0.11 0.00 -0.00 0.00 0.00 57.45 58.40 1yua n PHE 43 Cb 0.50 -1.54 0.62 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 0.91 1.04 -0.00 -7.13 -0.04 -1.26 -4.91 135.00 123.61 1yua n PRO 44 Ca 0.13 -0.06 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1yua n PRO 44 Cb 0.25 -1.34 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.78 -0.00 -3.24 0.54 4.81 0.25 -3.47 118.16 116.26 1yua n LYS 45 Ca 0.16 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 58.06 1yua n LYS 45 Cb 0.09 -1.34 -0.08 0.00 0.02 0.00 0.00 35.03 33.73 1yua n LYS 45 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1yua s SER 46 N -3.01 6.22 -0.30 3.14 1.04 -1.26 -4.92 113.70 114.60 1yua s SER 46 Ca -0.00 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 1yua s SER 46 Cb 0.00 -2.26 0.21 0.00 0.10 0.00 0.00 66.02 64.08 1yua s SER 46 CO 0.00 -0.72 1.99 0.54 0.98 0.00 0.00 173.24 176.04 1yua n ARG 47 N 5.84 1.77 -1.37 4.02 1.74 -1.23 -3.84 116.66 123.59 1yua n ARG 47 Ca -0.07 -1.50 -0.24 0.00 -0.77 0.00 0.00 57.85 55.27 1yua n ARG 47 Cb 0.46 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.36 2.53 -3.34 5.56 1.02 -1.26 -4.92 120.64 120.59 1yua n GLU 48 Ca 0.29 -2.01 -0.38 0.00 -0.02 0.00 0.00 57.16 55.04 1yua n GLU 48 Cb 0.59 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 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 -0.90 4.95 0.00 2.62 -4.23 -1.24 -4.57 115.64 112.27 1yua s THR 49 Ca 0.62 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 1yua s THR 49 Cb 0.34 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1yua s THR 49 CO -0.13 0.49 0.00 -2.11 -0.54 0.00 0.00 174.62 172.33 1yua n ARG 50 N 2.33 0.00 -1.51 3.99 1.85 -1.25 -4.89 116.66 117.18 1yua n ARG 50 Ca -0.10 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.26 1yua n ARG 50 Cb 0.51 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.89 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yua n ALA 51 N -0.84 -1.73 -1.84 2.89 0.00 -1.23 -2.24 120.51 115.52 1yua n ALA 51 Ca 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1yua n ALA 51 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.89 4.42 0.50 0.00 0.04 -1.26 -4.49 135.00 133.32 1yua s PRO 52 Ca 0.68 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.72 1yua s PRO 52 Cb -0.88 -2.60 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1yua s PRO 52 CO 0.56 0.19 0.28 -0.11 0.04 0.00 0.00 177.00 177.96 1yua n LEU 53 N 0.16 -1.19 0.30 -3.56 -0.00 -1.26 -2.56 117.00 108.89 1yua n LEU 53 Ca 0.03 0.76 0.19 0.00 -0.00 0.00 0.00 56.01 56.98 1yua n LEU 53 Cb 0.51 -1.03 0.90 0.00 -0.00 0.00 0.00 43.42 43.81 1yua n LEU 53 CO 0.42 -3.69 1.06 0.58 -0.00 0.00 0.00 177.39 175.76 1yua h VAL 54 N 0.29 0.11 0.00 1.96 2.07 -1.54 -1.24 116.25 117.89 1yua h VAL 54 Ca -0.42 -0.33 -0.22 0.00 0.82 0.00 0.00 66.70 66.55 1yua h VAL 54 Cb 1.42 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1yua h VAL 54 CO 0.46 0.02 -1.17 1.05 0.02 0.00 0.00 177.57 177.95 1yua h GLU 55 N 0.00 0.00 0.02 1.57 4.11 -1.86 -2.17 114.58 116.25 1yua h GLU 55 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1yua h GLU 55 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1yua h GLU 55 CO 0.00 0.80 -0.93 0.93 0.07 0.00 0.00 179.01 179.88 1yua h GLU 56 N 0.00 0.19 0.01 1.06 4.39 -1.59 -2.68 114.58 115.96 1yua h GLU 56 Ca -0.09 -0.23 -0.20 0.00 0.34 0.00 0.00 59.36 59.18 1yua h GLU 56 Cb 1.80 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.50 1yua h GLU 56 CO 0.11 0.99 -0.93 1.25 -1.16 0.00 0.00 179.01 179.27 1yua h LEU 57 N 0.10 0.06 -0.32 1.33 5.85 -1.33 -2.67 115.31 118.33 1yua h LEU 57 Ca -0.05 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1yua h LEU 57 Cb 1.59 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1yua h LEU 57 CO 0.14 0.95 -0.10 0.22 -0.34 0.00 0.00 178.44 179.32 1yua h TYR 58 N 0.02 0.71 -0.52 1.25 3.20 -1.35 0.14 116.97 120.42 1yua h TYR 58 Ca -0.02 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 1yua h TYR 58 Cb 1.62 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 1yua h TYR 58 CO 0.01 0.82 0.11 -0.09 -1.64 0.00 0.00 178.16 177.37 1yua h ARG 59 N 0.40 0.85 -0.04 1.82 2.43 -1.51 -1.42 114.38 116.92 1yua h ARG 59 Ca 0.08 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1yua h ARG 59 Cb 0.60 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1yua h ARG 59 CO 0.04 0.82 0.00 1.19 -1.51 0.00 0.00 179.97 180.50 1yua n PHE 60 N -4.42 0.05 -0.20 2.20 3.72 -1.01 -3.78 117.46 114.02 1yua n PHE 60 Ca 0.02 -0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 1yua n PHE 60 Cb 0.24 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1yua h ARG 61 N 0.32 0.89 0.00 -1.08 1.12 0.20 0.34 114.38 116.17 1yua h ARG 61 Ca 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1yua h ARG 61 Cb 0.07 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1yua h ARG 61 CO 0.00 0.82 0.00 -0.40 -3.11 0.00 0.00 179.97 177.28 1yua n ASP 62 N -4.41 0.00 0.00 -3.80 5.68 -1.25 -2.41 116.55 110.36 1yua n ASP 62 Ca 0.03 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1yua n ASP 62 Cb 0.22 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1yua n ARG 63 N -1.14 -0.80 -2.74 0.11 0.63 -0.43 -5.05 116.66 107.24 1yua n ARG 63 Ca 0.12 -0.44 -0.24 0.00 -0.92 0.00 0.00 57.85 56.37 1yua n ARG 63 Cb 0.11 -0.93 0.02 0.00 0.45 0.00 0.00 32.46 32.11 1yua n ARG 63 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1yua s LEU 64 N -0.01 3.46 0.00 6.15 2.34 0.11 -5.04 118.68 125.68 1yua s LEU 64 Ca 0.00 0.39 0.00 0.00 0.06 0.00 0.00 54.13 54.58 1yua s LEU 64 Cb 0.00 -3.25 0.00 0.00 -0.56 0.00 0.00 46.19 42.38 1yua s LEU 64 CO 0.00 -0.89 0.39 -2.65 -1.06 0.00 0.00 176.35 172.14 1yua n PRO 65 N -2.29 0.00 0.00 1.48 -0.02 -1.26 -4.96 135.00 127.95 1yua n PRO 65 Ca 0.03 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1yua n PRO 65 Cb 0.58 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 66 N -0.51 0.00 0.00 -0.52 2.13 -1.26 -4.96 120.64 115.52 1yua n GLU 66 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yua n GLU 66 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.77 0.00 5.31 4.81 -1.26 -2.62 118.16 125.18 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 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 -0.14 0.53 0.01 3.14 4.32 -1.26 -4.83 117.00 118.76 1yua n LEU 68 Ca 0.00 -0.53 -0.14 0.00 -0.02 0.00 0.00 56.01 55.32 1yua n LEU 68 Cb 0.11 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.83 1yua n LEU 68 CO 0.00 0.13 0.54 0.03 -1.22 0.00 0.00 177.39 176.87 1yua h ARG 69 N 0.00 -0.54 -0.94 3.23 3.08 -1.89 0.21 114.38 117.53 1yua h ARG 69 Ca 0.00 0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.37 1yua h ARG 69 Cb 0.24 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.26 1yua h ARG 69 CO 0.00 -0.36 0.27 0.10 -1.07 0.00 0.00 179.97 178.91 1yua h TYR 70 N -0.56 0.39 -0.22 3.04 -0.00 -1.88 0.51 116.97 118.26 1yua h TYR 70 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 58.73 58.83 1yua h TYR 70 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.37 1yua h TYR 70 CO -0.53 -0.30 0.12 -0.07 -0.00 0.00 0.00 178.16 177.38 1yua h LEU 71 N 0.14 0.28 0.00 0.10 3.38 -1.34 -0.26 115.31 117.61 1yua h LEU 71 Ca 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1yua h LEU 71 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1yua h LEU 71 CO -0.73 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.10 1yua n ALA 72 N -2.21 1.41 -0.02 1.53 0.00 0.16 -1.78 120.51 119.60 1yua n ALA 72 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 1yua n ALA 72 Cb 0.08 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.49 0.41 -4.20 0.00 8.00 -0.12 -4.09 116.55 115.06 1yua n ASP 73 Ca 0.02 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 1yua n ASP 73 Cb 0.10 0.78 0.10 0.00 -0.02 0.00 0.00 41.12 42.08 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua n ALA 74 N -2.50 -4.33 -0.74 2.24 0.00 -0.50 -4.86 120.51 109.82 1yua n ALA 74 Ca -0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 53.44 51.99 1yua n ALA 74 Cb 0.91 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 0.02 -0.95 -1.64 0.00 -0.02 -1.26 -4.93 135.00 126.22 1yua n PRO 75 Ca 0.01 -0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.27 1yua n PRO 75 Cb 0.61 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.66 0.45 0.00 -0.52 10.64 -1.26 -4.56 117.38 120.47 1yua n GLN 76 Ca 0.03 -2.37 0.00 0.00 -1.83 0.00 0.00 57.00 52.83 1yua n GLN 76 Cb 0.59 -0.42 0.00 0.00 -0.86 0.00 0.00 30.24 29.55 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 0.18 0.00 -2.49 2.61 -0.00 -1.26 -2.22 117.38 114.19 1yua n GLN 77 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 56.89 1yua n GLN 77 Cb 1.06 0.00 0.09 0.00 -0.00 0.00 0.00 30.24 31.38 1yua n GLN 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1yua n ASP 78 N 0.00 1.45 -0.07 2.61 5.75 -1.26 -4.64 116.55 120.39 1yua n ASP 78 Ca 0.00 -2.14 0.25 0.00 -0.01 0.00 0.00 54.79 52.89 1yua n ASP 78 Cb 0.00 -0.50 0.69 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.00 0.00 0.11 0.11 -2.01 -2.97 132.00 127.23 1yua h PRO 79 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1yua h PRO 79 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1yua h PRO 79 CO 0.32 0.00 -0.08 1.49 -0.21 0.00 0.00 178.00 179.52 1yua h GLU 80 N 0.00 0.00 0.00 1.05 4.57 -2.03 -3.49 114.58 114.67 1yua h GLU 80 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1yua h GLU 80 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 1yua h GLU 80 CO -0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1yua n GLY 81 N 1.73 0.00 0.46 1.92 0.00 -1.12 -5.01 105.19 103.17 1yua n GLY 81 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 1.30 -1.52 1.61 0.23 -1.26 -4.86 115.26 110.76 1yua n ASN 82 Ca 0.00 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 1yua n ASN 82 Cb 0.00 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 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 0.14 -4.17 -4.53 -3.83 5.02 -1.26 -3.53 118.16 106.00 1yua n LYS 83 Ca 0.07 3.17 -0.26 0.00 -2.02 0.00 0.00 58.31 59.28 1yua n LYS 83 Cb 0.22 -3.77 -0.17 0.00 -0.02 0.00 0.00 35.03 31.30 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 -4.43 1.23 0.48 -0.18 2.01 -0.94 -1.30 115.64 112.50 1yua s THR 84 Ca 0.00 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1yua s THR 84 Cb 0.00 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1yua s THR 84 CO 0.00 0.38 0.53 0.00 -0.69 0.00 0.00 174.62 174.84 1yua s MET 85 N 0.80 2.50 0.38 4.92 0.23 -0.91 -1.60 119.30 125.62 1yua s MET 85 Ca -0.12 -1.58 -0.17 0.00 -1.03 0.00 0.00 55.69 52.80 1yua s MET 85 Cb -0.15 -2.48 -0.09 0.00 -1.53 0.00 0.00 34.83 30.57 1yua s MET 85 CO 0.02 -0.45 0.83 0.08 -2.03 0.00 0.00 175.02 173.47 1yua s VAL 86 N -2.55 4.58 0.07 5.16 1.01 -1.06 -1.45 120.40 126.17 1yua s VAL 86 Ca 0.50 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.63 1yua s VAL 86 Cb -0.05 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1yua s VAL 86 CO 0.31 -0.30 0.06 0.54 0.00 0.00 0.00 175.10 175.71 1yua n ARG 87 N -0.63 0.10 -3.77 2.72 5.12 0.21 -4.34 116.66 116.06 1yua n ARG 87 Ca 0.05 -0.71 -0.13 0.00 -1.93 0.00 0.00 57.85 55.13 1yua n ARG 87 Cb 0.54 0.58 -0.12 0.00 -1.16 0.00 0.00 32.46 32.29 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 -2.28 -0.26 -0.09 -1.55 5.36 -1.26 -2.31 117.98 115.59 1yua s PHE 88 Ca 0.08 0.64 0.03 0.00 -0.96 0.00 0.00 56.93 56.72 1yua s PHE 88 Cb 0.00 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.73 1yua s PHE 88 CO 0.06 -0.16 -0.16 -1.12 -1.46 0.00 0.00 175.22 172.38 1yua s SER 89 N 0.53 3.81 0.12 6.13 0.01 -0.94 -4.89 113.70 118.48 1yua s SER 89 Ca -0.03 -0.32 0.24 0.00 1.31 0.00 0.00 55.95 57.14 1yua s SER 89 Cb -0.05 -1.18 0.28 0.00 0.21 0.00 0.00 66.02 65.28 1yua s SER 89 CO -0.03 0.25 1.26 0.03 0.41 0.00 0.00 173.24 175.16 1yua h ARG 90 N 6.09 0.00 0.00 12.44 3.08 -1.96 -0.33 114.38 133.69 1yua h ARG 90 Ca -0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1yua h ARG 90 CO 0.52 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 180.27 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.98 -3.16 116.57 118.03 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 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1yua h LYS 91 CO 0.00 0.02 -0.08 0.25 -2.06 0.00 0.00 179.45 177.59 1yua n THR 92 N -3.40 0.00 -3.81 -0.16 -2.24 -1.24 -5.04 114.28 98.39 1yua n THR 92 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1yua n THR 92 Cb 0.13 0.64 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.96 -3.14 -0.78 5.02 -0.17 -4.96 118.16 113.17 1yua n LYS 93 Ca 0.00 0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 56.68 1yua n LYS 93 Cb 0.53 -3.12 -0.04 0.00 -0.02 0.00 0.00 35.03 32.38 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 -3.85 0.22 -4.30 1.97 6.02 -0.98 -4.98 117.38 111.49 1yua n GLN 94 Ca -0.16 -1.71 -0.34 0.00 -0.01 0.00 0.00 57.00 54.78 1yua n GLN 94 Cb 0.60 1.42 -0.12 0.00 1.02 0.00 0.00 30.24 33.16 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 -2.69 3.69 -0.05 -1.09 1.11 -1.26 -2.20 119.66 117.17 1yua s GLN 95 Ca 0.20 -0.50 0.03 0.00 0.01 0.00 0.00 55.36 55.10 1yua s GLN 95 Cb 0.01 -2.98 0.01 0.00 -1.01 0.00 0.00 33.01 29.04 1yua s GLN 95 CO 0.14 0.20 -0.13 1.52 0.01 0.00 0.00 175.29 177.03 1yua s TYR 96 N 0.48 1.47 0.48 0.91 -0.85 -0.98 -2.39 117.35 116.49 1yua s TYR 96 Ca -0.02 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 1yua s TYR 96 Cb -0.14 -1.04 -0.02 0.00 0.38 0.00 0.00 41.96 41.14 1yua s TYR 96 CO 0.02 -0.21 0.76 0.08 -1.52 0.00 0.00 175.55 174.68 1yua s VAL 97 N 0.38 4.54 -0.17 -3.49 1.01 -0.28 0.64 120.40 123.03 1yua s VAL 97 Ca -0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1yua s VAL 97 Cb -0.13 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1yua s VAL 97 CO 0.03 -0.66 0.39 -0.44 0.00 0.00 0.00 175.10 174.42 1yua s SER 98 N -4.16 -0.25 -0.24 3.32 0.01 -0.53 0.79 113.70 112.64 1yua s SER 98 Ca 0.48 0.88 -0.29 0.00 1.31 0.00 0.00 55.95 58.33 1yua s SER 98 Cb -0.10 1.03 -0.01 0.00 0.21 0.00 0.00 66.02 67.15 1yua s SER 98 CO 0.43 -0.22 1.34 -0.44 0.41 0.00 0.00 173.24 174.76 1yua s SER 99 N 2.13 6.72 -0.16 2.44 0.01 -0.13 -2.14 113.70 122.58 1yua s SER 99 Ca -0.04 1.43 -0.02 0.00 1.31 0.00 0.00 55.95 58.63 1yua s SER 99 Cb -0.11 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1yua s SER 99 CO -0.12 -1.00 -0.08 -1.61 0.41 0.00 0.00 173.24 170.84 1yua s GLU 100 N 4.03 3.49 -1.05 12.44 2.02 -0.42 -2.29 118.70 136.91 1yua s GLU 100 Ca 0.58 -0.61 -0.20 0.00 0.02 0.00 0.00 54.97 54.76 1yua s GLU 100 Cb -0.20 -2.81 0.09 0.00 0.10 0.00 0.00 34.13 31.31 1yua s GLU 100 CO 0.21 0.14 1.39 0.15 0.02 0.00 0.00 175.26 177.18 1yua s LYS 101 N 0.58 3.70 0.00 1.61 1.02 -1.26 -3.97 119.74 121.42 1yua s LYS 101 Ca -0.05 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1yua s LYS 101 Cb -0.15 -5.23 0.00 0.00 -0.52 0.00 0.00 37.83 31.94 1yua s LYS 101 CO 0.03 -2.04 0.00 -3.47 -0.92 0.00 0.00 175.35 168.95 1yua n ASP 102 N 7.80 0.00 0.00 2.83 -0.08 -1.26 -2.93 116.55 122.90 1yua n ASP 102 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1yua n ASP 102 Cb 0.49 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yua n GLY 103 N -2.00 1.77 1.14 0.27 0.00 -1.25 -5.00 105.19 100.11 1yua n GLY 103 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.73 3.34 -3.09 1.61 2.85 -1.15 -5.02 118.16 115.98 1yua n LYS 104 Ca 0.00 -2.68 -0.00 0.00 -1.05 0.00 0.00 58.31 54.58 1yua n LYS 104 Cb 0.00 -1.75 -0.00 0.00 -0.65 0.00 0.00 35.03 32.63 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 0.41 -2.27 0.08 0.58 0.00 -1.26 -4.78 120.51 113.27 1yua n ALA 105 Ca 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.75 1yua n ALA 105 Cb 0.80 -0.64 0.23 0.00 0.00 0.00 0.00 19.45 19.83 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 3.55 1.30 0.00 0.00 1.35 -1.79 -3.47 112.91 113.85 1yua h THR 106 Ca -0.01 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1yua h THR 106 Cb 0.77 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1yua h THR 106 CO 0.02 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1yua n GLY 107 N -0.24 0.57 3.71 5.82 0.00 -1.26 -5.07 105.19 108.72 1yua n GLY 107 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 2.70 -4.53 1.61 -0.00 -1.26 -4.13 117.44 111.83 1yua n TRP 108 Ca 0.00 0.05 -0.26 0.00 -0.00 0.00 0.00 57.50 57.29 1yua n TRP 108 Cb 0.00 -2.67 -0.08 0.00 -0.00 0.00 0.00 31.31 28.56 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 1.22 2.87 0.02 5.87 1.04 -1.26 -0.95 113.70 122.51 1yua s SER 109 Ca 0.76 -1.67 -0.17 0.00 0.48 0.00 0.00 55.95 55.35 1yua s SER 109 Cb -0.52 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1yua s SER 109 CO 0.33 -0.92 0.38 0.00 0.98 0.00 0.00 173.24 174.01 1yua s ALA 110 N -3.19 -0.92 -0.03 5.32 0.00 0.24 -3.61 121.76 119.57 1yua s ALA 110 Ca 0.23 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1yua s ALA 110 Cb 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1yua s ALA 110 CO 0.14 -0.39 -0.17 -0.06 0.00 0.00 0.00 175.76 175.28 1yua s PHE 111 N -2.10 1.65 -0.54 0.00 0.08 -0.87 -1.12 117.98 115.08 1yua s PHE 111 Ca -0.08 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.32 1yua s PHE 111 Cb -0.02 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1yua s PHE 111 CO 0.00 -0.12 0.90 -0.47 -0.10 0.00 0.00 175.22 175.43 1yua s TYR 112 N -0.11 2.83 0.00 0.36 5.04 -1.00 0.41 117.35 124.88 1yua s TYR 112 Ca -0.00 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1yua s TYR 112 Cb -0.10 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.21 1yua s TYR 112 CO 0.01 -1.30 0.00 0.28 -1.34 0.00 0.00 175.55 173.20 1yua n VAL 113 N 6.13 0.00 -2.01 3.14 0.31 -0.39 -4.84 118.33 120.67 1yua n VAL 113 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 1yua n VAL 113 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1yua n VAL 113 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yua s ASP 114 N -1.00 4.96 -0.93 4.52 2.15 -1.26 -2.90 116.67 122.21 1yua s ASP 114 Ca 0.00 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.92 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1yua s ASP 114 CO 0.00 -3.03 0.00 0.61 -0.17 0.00 0.00 175.17 172.58 1yua n GLY 115 N 6.39 0.02 2.74 2.66 0.00 -1.26 -4.83 105.19 110.91 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 -4.24 1.86 0.96 1.61 -0.14 -1.14 -5.11 119.74 113.54 1yua s LYS 116 Ca 0.00 -2.80 -0.12 0.00 -1.36 0.00 0.00 55.97 51.70 1yua s LYS 116 Cb 0.00 -2.73 0.12 0.00 -1.68 0.00 0.00 37.83 33.54 1yua s LYS 116 CO 0.00 -1.29 0.81 0.91 -0.76 0.00 0.00 175.35 175.02 1yua n TRP 117 N 2.48 -0.29 -3.56 3.18 7.02 -1.25 -1.26 117.44 123.75 1yua n TRP 117 Ca 0.20 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.96 1yua n TRP 117 Cb 0.38 -1.87 0.00 0.00 -2.42 0.00 0.00 31.31 27.40 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 -4.10 0.00 -3.48 -0.99 0.24 0.17 -4.76 118.33 105.41 1yua n VAL 118 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 1yua n VAL 118 Cb 0.53 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 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 -1.75 0.39 0.00 7.34 1.03 -1.26 -2.05 118.70 122.40 1yua s GLU 119 Ca 0.00 0.90 0.00 0.00 0.03 0.00 0.00 54.97 55.90 1yua s GLU 119 Cb 0.00 0.13 0.00 0.00 -0.80 0.00 0.00 34.13 33.46 1yua s GLU 119 CO 0.00 -0.44 0.00 0.41 -1.33 0.00 0.00 175.26 173.90 1yua n GLY 120 N 5.39 0.70 2.67 -3.83 0.00 -1.24 -4.97 105.19 103.91 1yua n GLY 120 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.17 0.00 1.61 2.85 -1.26 -4.73 118.16 116.79 1yua n LYS 121 Ca 0.00 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.52 1yua n LYS 121 Cb 0.00 -0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.18 1yua n LYS 121 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52