#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 1.16 -3.08 7.83 5.15 -1.26 -4.94 115.26 120.12 1yua n ASN 2 Ca 0.00 1.16 -0.16 0.00 -0.60 0.00 0.00 54.58 54.98 1yua n ASN 2 Cb 0.00 -1.23 -0.04 0.00 -0.53 0.00 0.00 39.78 37.97 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yua n GLY 3 N 1.65 0.95 3.59 8.20 0.00 -1.26 -5.13 105.19 113.19 1yua n GLY 3 Ca 0.13 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1yua n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yua n GLU 4 N 2.71 -0.11 -3.50 1.61 1.02 -1.26 -5.02 120.64 116.09 1yua n GLU 4 Ca 0.23 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1yua n GLU 4 Cb 0.53 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.71 1yua n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yua s VAL 5 N -2.32 -0.96 -0.43 2.62 0.11 -1.26 -5.01 120.40 113.15 1yua s VAL 5 Ca 0.66 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.46 1yua s VAL 5 Cb -0.26 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1yua s VAL 5 CO 0.58 0.00 0.62 0.00 -3.33 0.00 0.00 175.10 172.97 1yua n ALA 6 N 5.44 -2.68 -0.81 1.54 0.00 -1.26 -4.87 120.51 117.87 1yua n ALA 6 Ca -0.08 0.79 -0.33 0.00 0.00 0.00 0.00 53.44 53.81 1yua n ALA 6 Cb 0.50 -3.05 0.12 0.00 0.00 0.00 0.00 19.45 17.02 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 -0.22 -0.46 -0.24 0.00 -0.02 -1.26 -4.79 135.00 128.02 1yua n PRO 7 Ca 0.02 -0.10 0.27 0.00 -2.02 0.00 0.00 63.50 61.68 1yua n PRO 7 Cb 0.56 -1.71 0.66 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.56 0.12 -4.88 0.52 0.11 -2.06 -3.34 132.00 120.90 1yua h PRO 8 Ca -0.45 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.97 1yua h PRO 8 Cb 1.30 -0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.20 1yua h PRO 8 CO 0.33 0.08 -0.25 0.21 -0.21 0.00 0.00 178.00 178.16 1yua s LYS 9 N -5.12 3.29 -0.11 1.05 2.36 -1.26 -5.03 119.74 114.92 1yua s LYS 9 Ca -0.06 -0.62 -0.05 0.00 -2.55 0.00 0.00 55.97 52.69 1yua s LYS 9 Cb 0.22 -3.90 0.05 0.00 -1.05 0.00 0.00 37.83 33.16 1yua s LYS 9 CO 0.78 -0.71 0.23 -1.21 1.55 0.00 0.00 175.35 176.00 1yua s GLU 10 N 2.06 0.16 -0.57 4.03 2.02 -1.26 -5.07 118.70 120.07 1yua s GLU 10 Ca 0.12 0.59 0.06 0.00 0.02 0.00 0.00 54.97 55.76 1yua s GLU 10 Cb -0.17 -0.11 0.24 0.00 0.10 0.00 0.00 34.13 34.19 1yua s GLU 10 CO 0.13 -0.22 0.65 -0.25 0.02 0.00 0.00 175.26 175.59 1yua n ASP 11 N 4.70 2.56 0.00 -0.19 8.00 -1.26 -4.98 116.55 125.39 1yua n ASP 11 Ca -0.17 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.15 1yua n ASP 11 Cb 0.51 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yua n PRO 12 N 1.17 0.00 -3.18 -0.24 -0.04 -1.26 -4.85 135.00 126.59 1yua n PRO 12 Ca 0.27 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 1yua n PRO 12 Cb 0.44 -0.09 -0.05 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.00 0.05 -1.61 0.52 0.31 -0.48 -5.02 118.33 112.10 1yua n VAL 13 Ca 0.00 -4.49 -0.48 0.00 -0.01 0.00 0.00 64.34 59.35 1yua n VAL 13 Cb 0.00 -1.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.70 1.46 -2.43 5.55 -0.02 -1.26 -1.32 135.00 137.68 1yua n PRO 14 Ca 0.24 0.52 -0.25 0.00 -2.02 0.00 0.00 63.50 61.99 1yua n PRO 14 Cb 0.57 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.36 4.55 -0.01 2.45 4.77 -0.73 -4.76 117.00 125.62 1yua n LEU 15 Ca 0.15 -5.06 0.15 0.00 -0.03 0.00 0.00 56.01 51.23 1yua n LEU 15 Cb 0.25 -0.39 0.24 0.00 -2.33 0.00 0.00 43.42 41.19 1yua n LEU 15 CO 0.62 2.18 1.02 -2.65 -1.33 0.00 0.00 177.39 177.23 1yua n PRO 16 N -0.49 0.02 0.00 3.23 -0.02 -1.26 0.31 135.00 136.79 1yua n PRO 16 Ca 0.38 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.73 1yua n PRO 16 Cb 0.71 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1yua n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 17 N -2.72 0.83 -3.43 -0.52 0.00 -1.26 -4.34 120.64 109.20 1yua n GLU 17 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.07 1yua n GLU 17 Cb 1.17 -1.35 -0.10 0.00 0.00 0.00 0.00 31.44 31.16 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1yua s LEU 18 N -0.17 0.23 0.72 4.31 2.96 0.15 -5.06 118.68 121.82 1yua s LEU 18 Ca 0.00 -1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 52.31 1yua s LEU 18 Cb 0.00 0.17 -0.08 0.00 0.50 0.00 0.00 46.19 46.78 1yua s LEU 18 CO 0.00 -0.34 0.17 -2.65 -1.32 0.00 0.00 176.35 172.21 1yua n PRO 19 N 4.68 0.17 0.00 0.98 -0.02 -1.26 -1.06 135.00 138.48 1yua n PRO 19 Ca 0.05 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1yua n PRO 19 Cb 0.43 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1yua n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLU 21 N -1.33 2.49 -1.43 0.00 2.13 -1.26 -4.80 120.64 116.44 1yua n GLU 21 Ca 0.00 -2.91 -0.15 0.00 0.66 0.00 0.00 57.16 54.76 1yua n GLU 21 Cb 0.00 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 29.51 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 -0.62 -1.34 0.00 5.31 4.81 -1.26 -4.88 118.16 120.17 1yua n LYS 22 Ca 0.55 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.88 1yua n LYS 22 Cb 0.63 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 30.52 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yua n SER 23 N -0.71 0.80 0.00 3.14 2.88 -1.26 -4.97 113.62 113.49 1yua n SER 23 Ca -0.15 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1yua n SER 23 Cb 0.50 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.63 1yua n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1yua n ASP 24 N 0.00 0.00 -4.88 -3.46 8.00 -1.26 -4.73 116.55 110.22 1yua n ASP 24 Ca 0.00 -1.15 -0.30 0.00 0.71 0.00 0.00 54.79 54.05 1yua n ASP 24 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 25 N -2.00 3.41 0.00 2.24 0.00 -1.26 -4.99 121.76 119.16 1yua s ALA 25 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1yua s ALA 25 Cb 0.16 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1yua s ALA 25 CO 0.26 0.12 0.00 2.48 0.00 0.00 0.00 175.76 178.62 1yua n TYR 26 N -1.03 0.00 -3.71 0.00 4.11 -1.26 -1.37 117.16 113.90 1yua n TYR 26 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.55 1yua n TYR 26 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.78 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 -0.76 3.41 -0.51 -3.48 0.08 -0.22 -1.45 117.98 115.05 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 0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1yua s PHE 27 CO 0.00 -0.84 1.17 0.08 -0.10 0.00 0.00 175.22 175.53 1yua s VAL 28 N -0.07 4.12 0.01 -0.44 1.01 -0.51 -1.78 120.40 122.75 1yua s VAL 28 Ca 0.17 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1yua s VAL 28 Cb -0.20 -4.63 -0.08 0.00 0.00 0.00 0.00 36.38 31.47 1yua s VAL 28 CO -0.03 -1.12 1.90 -0.22 0.00 0.00 0.00 175.10 175.63 1yua s LEU 29 N 4.70 4.40 0.00 3.92 2.96 -0.43 -2.90 118.68 131.32 1yua s LEU 29 Ca 0.47 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.95 1yua s LEU 29 Cb -0.07 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1yua s LEU 29 CO 0.30 -1.04 0.00 0.54 -1.32 0.00 0.00 176.35 174.83 1yua n ARG 30 N 7.47 1.92 -3.44 1.98 1.74 -0.17 -1.38 116.66 124.77 1yua n ARG 30 Ca 0.19 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.10 1yua n ARG 30 Cb 0.41 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.74 1yua n ARG 30 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1yua s ASP 31 N -0.83 1.57 0.00 0.55 -4.77 -1.26 -2.33 116.67 109.59 1yua s ASP 31 Ca 0.00 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.74 1yua s ASP 31 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.28 1yua s ASP 31 CO 0.00 -0.36 0.00 0.61 0.70 0.00 0.00 175.17 176.12 1yua n GLY 32 N 5.31 -1.82 0.94 2.12 0.00 -1.06 -4.90 105.19 105.78 1yua n GLY 32 Ca -0.04 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 2.31 -0.03 4.61 0.00 -1.26 -4.56 120.51 118.58 1yua n ALA 33 Ca 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 53.44 52.27 1yua n ALA 33 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 1.07 2.51 -3.00 0.00 0.00 -1.26 -5.13 120.51 114.70 1yua n ALA 34 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1yua n ALA 34 Cb 0.51 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1yua n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yua n GLY 35 N 2.67 3.54 3.79 0.00 0.00 -1.26 -4.98 105.19 108.95 1yua n GLY 35 Ca -0.12 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.07 2.84 -0.02 1.61 -7.23 -1.26 -2.57 120.40 112.70 1yua s VAL 36 Ca 0.00 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 1yua s VAL 36 Cb 0.00 -3.02 0.07 0.00 0.56 0.00 0.00 36.38 33.99 1yua s VAL 36 CO 0.00 -0.09 0.90 2.22 -0.31 0.00 0.00 175.10 177.82 1yua n PHE 37 N -1.31 -0.28 -3.77 2.82 -1.74 -0.99 -4.57 117.46 107.62 1yua n PHE 37 Ca -0.01 -0.48 -0.30 0.00 -0.56 0.00 0.00 57.45 56.10 1yua n PHE 37 Cb 0.62 0.22 -0.15 0.00 1.52 0.00 0.00 39.48 41.69 1yua n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1yua s LEU 38 N 0.00 2.50 0.26 5.98 1.02 -1.15 -1.00 118.68 126.30 1yua s LEU 38 Ca 0.21 -1.65 -0.03 0.00 0.02 0.00 0.00 54.13 52.68 1yua s LEU 38 Cb -0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 46.19 45.20 1yua s LEU 38 CO -0.01 -0.40 0.50 0.00 0.02 0.00 0.00 176.35 176.46 1yua s ALA 39 N 1.54 3.69 0.33 4.21 0.00 -1.14 -3.79 121.76 126.59 1yua s ALA 39 Ca 0.09 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1yua s ALA 39 Cb -0.17 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.64 1yua s ALA 39 CO -0.22 0.30 1.39 0.00 0.00 0.00 0.00 175.76 177.23 1yua s ALA 40 N -2.02 3.54 -1.08 0.00 0.00 -1.22 -1.42 121.76 119.57 1yua s ALA 40 Ca 0.42 1.37 0.14 0.00 0.00 0.00 0.00 51.96 53.89 1yua s ALA 40 Cb -0.11 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.11 1yua s ALA 40 CO 0.30 -0.79 1.44 -1.71 0.00 0.00 0.00 175.76 175.00 1yua n ASN 41 N 0.96 0.00 -0.84 0.00 5.15 -0.53 -1.65 115.26 118.34 1yua n ASN 41 Ca 0.01 0.42 0.11 0.00 -0.60 0.00 0.00 54.58 54.52 1yua n ASN 41 Cb 0.41 -0.46 0.09 0.00 -0.53 0.00 0.00 39.78 39.28 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 -1.46 0.00 -1.13 -0.44 -2.24 -1.26 -4.94 114.28 102.81 1yua n THR 42 Ca 0.04 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 1yua n THR 42 Cb 0.16 1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.16 -1.29 1.58 4.78 -0.00 -0.66 -0.50 117.46 122.54 1yua n PHE 43 Ca 0.12 0.63 0.13 0.00 -0.00 0.00 0.00 57.45 58.34 1yua n PHE 43 Cb 0.53 -1.56 0.76 0.00 -0.00 0.00 0.00 39.48 39.21 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 1.03 0.76 -0.46 -7.13 -0.04 -1.26 -4.83 135.00 123.06 1yua n PRO 44 Ca 0.12 0.01 0.41 0.00 -0.04 0.00 0.00 63.50 64.00 1yua n PRO 44 Cb 0.29 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.00 -2.26 0.54 3.64 -1.17 -3.23 116.57 114.09 1yua h LYS 45 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1yua h LYS 45 Cb 0.03 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.51 1yua h LYS 45 CO 0.00 0.00 -0.65 -1.54 -2.27 0.00 0.00 179.45 174.99 1yua s SER 46 N -3.89 1.85 -0.33 4.20 1.04 -1.26 -4.97 113.70 110.34 1yua s SER 46 Ca -0.04 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1yua s SER 46 Cb 0.21 0.40 0.22 0.00 0.10 0.00 0.00 66.02 66.96 1yua s SER 46 CO 0.72 -0.39 2.02 0.54 0.98 0.00 0.00 173.24 177.11 1yua n ARG 47 N 5.31 1.84 -1.28 4.02 1.74 -1.22 -3.38 116.66 123.68 1yua n ARG 47 Ca -0.03 -1.63 -0.21 0.00 -0.77 0.00 0.00 57.85 55.22 1yua n ARG 47 Cb 0.46 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.30 2.22 -3.30 5.56 1.02 -1.26 -4.92 120.64 120.27 1yua n GLU 48 Ca 0.31 -1.77 -0.38 0.00 -0.02 0.00 0.00 57.16 55.30 1yua n GLU 48 Cb 0.58 -2.07 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.88 4.99 0.00 2.62 -4.23 -1.26 -4.65 115.64 112.23 1yua s THR 49 Ca 0.62 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 1yua s THR 49 Cb 0.35 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1yua s THR 49 CO -0.13 0.44 0.00 -1.14 -0.54 0.00 0.00 174.62 173.25 1yua n ARG 50 N 2.69 0.00 -2.70 3.99 0.63 -1.25 -4.93 116.66 115.09 1yua n ARG 50 Ca -0.09 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.44 1yua n ARG 50 Cb 0.51 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.37 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yua s ALA 51 N -1.47 3.33 -0.84 5.13 0.00 -1.26 -2.93 121.76 123.72 1yua s ALA 51 Ca 0.00 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1yua s ALA 51 Cb 0.00 -3.24 -0.19 0.00 0.00 0.00 0.00 23.12 19.69 1yua s ALA 51 CO 0.00 0.11 2.33 -2.30 0.00 0.00 0.00 175.76 175.89 1yua n PRO 52 N 1.72 0.41 -1.39 0.00 -0.02 -1.26 -4.60 135.00 129.86 1yua n PRO 52 Ca -0.01 -0.71 -0.59 0.00 -2.02 0.00 0.00 63.50 60.17 1yua n PRO 52 Cb 0.47 -3.10 -0.11 0.00 -0.02 0.00 0.00 33.50 30.74 1yua n PRO 52 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1yua n LEU 53 N 15.82 1.16 0.05 2.45 -0.00 -1.26 -2.60 117.00 132.63 1yua n LEU 53 Ca 0.50 0.74 0.20 0.00 -0.00 0.00 0.00 56.01 57.45 1yua n LEU 53 Cb 0.37 -0.97 0.57 0.00 -0.00 0.00 0.00 43.42 43.39 1yua n LEU 53 CO 0.66 -0.75 1.18 0.58 -0.00 0.00 0.00 177.39 179.06 1yua h VAL 54 N 6.60 0.15 -0.03 1.96 2.07 -1.53 0.39 116.25 125.86 1yua h VAL 54 Ca -0.20 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1yua h VAL 54 Cb 1.39 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1yua h VAL 54 CO 1.05 0.00 -0.25 1.05 0.02 0.00 0.00 177.57 179.45 1yua h GLU 55 N 0.00 0.22 -0.75 1.57 4.11 -1.80 -1.91 114.58 116.02 1yua h GLU 55 Ca 0.25 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1yua h GLU 55 Cb 1.75 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.01 1yua h GLU 55 CO -0.00 0.87 0.49 0.93 0.07 0.00 0.00 179.01 181.37 1yua h GLU 56 N -0.37 1.00 -0.75 1.06 3.07 -0.59 -1.73 114.58 116.27 1yua h GLU 56 Ca -0.02 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1yua h GLU 56 Cb 0.94 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 1yua h GLU 56 CO 0.05 0.68 0.49 -0.07 -1.40 0.00 0.00 179.01 178.75 1yua h LEU 57 N 1.02 0.87 0.02 1.33 3.38 -1.34 -0.17 115.31 120.43 1yua h LEU 57 Ca 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1yua h LEU 57 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1yua h LEU 57 CO -0.06 0.64 -0.03 0.22 0.09 0.00 0.00 178.44 179.30 1yua h TYR 58 N 1.02 -0.08 0.00 1.13 3.20 -0.54 0.24 116.97 121.94 1yua h TYR 58 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1yua h TYR 58 Cb -0.10 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1yua h TYR 58 CO -0.02 -0.05 0.00 -2.13 -1.64 0.00 0.00 178.16 174.32 1yua n ARG 59 N -5.14 0.09 -1.00 1.82 0.63 -0.73 -1.87 116.66 110.46 1yua n ARG 59 Ca -0.07 0.40 -0.12 0.00 -0.92 0.00 0.00 57.85 57.14 1yua n ARG 59 Cb 0.07 -1.70 0.18 0.00 0.45 0.00 0.00 32.46 31.46 1yua n ARG 59 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1yua n PHE 60 N -1.88 1.81 0.16 -0.14 3.01 0.02 -4.59 117.46 115.85 1yua n PHE 60 Ca 0.02 -1.76 0.02 0.00 1.01 0.00 0.00 57.45 56.73 1yua n PHE 60 Cb 0.15 -0.66 0.35 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.07 0.07 0.00 -1.08 2.47 -0.80 -0.53 114.38 115.58 1yua h ARG 61 Ca 0.37 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 1yua h ARG 61 Cb 1.99 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.30 1yua h ARG 61 CO 0.66 0.40 0.00 -0.25 0.56 0.00 0.00 179.97 181.35 1yua n ASP 62 N -4.12 0.00 0.00 7.04 9.92 -1.26 -2.23 116.55 125.90 1yua n ASP 62 Ca -0.02 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1yua n ASP 62 Cb 0.39 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1yua n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1yua n ARG 63 N -1.29 0.74 -2.42 -1.24 1.74 -0.56 -5.01 116.66 108.62 1yua n ARG 63 Ca 0.07 -0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.44 1yua n ARG 63 Cb 0.12 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.37 4.02 0.00 0.55 0.20 -0.32 -4.95 118.68 117.82 1yua s LEU 64 Ca 0.00 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.26 1yua s LEU 64 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1yua s LEU 64 CO 0.00 -0.93 0.33 -0.81 -0.29 0.00 0.00 176.35 174.65 1yua n PRO 65 N 6.98 0.00 0.00 0.98 -0.04 -1.26 -4.98 135.00 136.68 1yua n PRO 65 Ca 0.14 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1yua n PRO 65 Cb 0.46 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.57 0.00 0.00 0.54 2.13 -1.26 -4.87 120.64 116.61 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 0.00 0.00 5.31 4.81 -1.26 -1.59 118.16 125.43 1yua n LYS 67 Ca 0.00 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1yua n LYS 67 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 -1.41 0.00 0.17 3.14 4.32 -1.26 -4.90 117.00 117.06 1yua n LEU 68 Ca 0.00 -0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.83 1yua n LEU 68 Cb 0.07 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.78 1yua n LEU 68 CO 0.00 0.00 0.52 -0.09 -1.22 0.00 0.00 177.39 176.60 1yua h ARG 69 N 0.00 -0.76 -1.10 3.23 9.65 -1.63 0.22 114.38 123.99 1yua h ARG 69 Ca 0.00 0.05 0.36 0.00 -1.10 0.00 0.00 59.98 59.29 1yua h ARG 69 Cb 0.97 0.17 -0.14 0.00 -1.39 0.00 0.00 29.97 29.58 1yua h ARG 69 CO 0.00 -0.51 0.67 0.10 2.80 0.00 0.00 179.97 183.03 1yua h TYR 70 N -0.79 0.76 -0.11 2.20 -0.00 -1.91 0.59 116.97 117.71 1yua h TYR 70 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 1yua h TYR 70 Cb 0.74 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 37.27 1yua h TYR 70 CO -0.36 -0.17 0.05 -0.07 -0.00 0.00 0.00 178.16 177.61 1yua h LEU 71 N 0.24 0.14 0.00 0.10 3.38 -1.35 -0.34 115.31 117.47 1yua h LEU 71 Ca 0.75 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1yua h LEU 71 Cb 1.97 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1yua h LEU 71 CO -0.52 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.23 1yua n ALA 72 N -2.18 1.45 0.10 1.53 0.00 0.19 -1.83 120.51 119.77 1yua n ALA 72 Ca -0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 1yua n ALA 72 Cb 0.09 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 1yua n ALA 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yua h ASP 73 N 0.00 0.46 -1.80 0.00 3.32 0.30 -3.41 116.42 115.30 1yua h ASP 73 Ca 0.00 -0.51 -0.46 0.00 0.02 0.00 0.00 57.03 56.08 1yua h ASP 73 Cb 0.14 -0.15 0.24 0.00 0.22 0.00 0.00 39.33 39.78 1yua h ASP 73 CO 0.00 1.40 -1.69 0.00 -1.72 0.00 0.00 179.24 177.23 1yua n ALA 74 N -2.57 -4.73 -1.15 3.45 0.00 -0.76 -4.90 120.51 109.85 1yua n ALA 74 Ca -0.10 -1.34 -0.30 0.00 0.00 0.00 0.00 53.44 51.70 1yua n ALA 74 Cb 1.03 -1.23 0.12 0.00 0.00 0.00 0.00 19.45 19.38 1yua n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 75 N -2.91 1.61 -0.14 0.00 0.04 -1.26 -4.95 135.00 127.40 1yua s PRO 75 Ca 0.48 1.06 0.22 0.00 0.04 0.00 0.00 61.00 62.80 1yua s PRO 75 Cb -0.03 -1.83 0.46 0.00 0.04 0.00 0.00 34.50 33.14 1yua s PRO 75 CO 0.65 -2.06 1.16 0.00 0.04 0.00 0.00 177.00 176.79 1yua n GLN 76 N -3.79 1.08 0.00 4.56 10.64 -1.26 -4.61 117.38 123.99 1yua n GLN 76 Ca 0.08 -2.85 0.00 0.00 -1.83 0.00 0.00 57.00 52.41 1yua n GLN 76 Cb 0.54 -0.93 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 1yua n GLN 76 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1yua n GLN 77 N -0.16 0.00 0.00 2.61 3.00 -1.23 -2.68 117.38 118.93 1yua n GLN 77 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1yua n GLN 77 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.20 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 -0.38 0.00 -0.33 1.08 5.75 -1.25 0.22 116.55 121.65 1yua n ASP 78 Ca 0.00 0.00 0.36 0.00 -0.01 0.00 0.00 54.79 55.14 1yua n ASP 78 Cb 0.00 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.10 0.11 0.11 -2.02 0.19 132.00 130.49 1yua h PRO 79 Ca 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.77 1yua h PRO 79 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1yua h PRO 79 CO 0.00 0.00 -1.84 1.49 -0.21 0.00 0.00 178.00 177.44 1yua h GLU 80 N 0.00 0.21 0.00 1.05 4.22 -2.05 -3.48 114.58 114.53 1yua h GLU 80 Ca 0.58 -0.36 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1yua h GLU 80 Cb 2.55 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.93 1yua h GLU 80 CO -0.01 1.04 0.00 0.41 -2.18 0.00 0.00 179.01 178.27 1yua n GLY 81 N 1.83 0.69 3.58 1.92 0.00 0.67 -5.07 105.19 108.81 1yua n GLY 81 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1yua n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yua s ASN 82 N -0.28 5.72 0.05 1.61 0.01 0.60 -4.68 114.94 117.97 1yua s ASN 82 Ca 0.00 0.98 -0.37 0.00 -0.71 0.00 0.00 52.86 52.76 1yua s ASN 82 Cb 0.00 -2.53 -0.19 0.00 0.41 0.00 0.00 41.25 38.94 1yua s ASN 82 CO 0.00 -1.90 0.94 0.29 -1.51 0.00 0.00 177.10 174.92 1yua n LYS 83 N 8.62 0.01 -4.58 -0.60 4.01 -1.24 -3.46 118.16 120.92 1yua n LYS 83 Ca 0.22 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.71 1yua n LYS 83 Cb 0.49 -1.38 -0.12 0.00 -0.51 0.00 0.00 35.03 33.50 1yua n LYS 83 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1yua s THR 84 N -0.24 3.20 0.11 -0.18 -1.32 -1.09 -1.45 115.64 114.66 1yua s THR 84 Ca 0.84 -0.97 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1yua s THR 84 Cb -1.18 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.40 1yua s THR 84 CO 0.57 0.38 -0.14 0.00 -2.21 0.00 0.00 174.62 173.21 1yua s MET 85 N -1.40 1.96 -0.53 7.08 0.23 -0.95 -1.52 119.30 124.18 1yua s MET 85 Ca 0.16 -1.10 -0.28 0.00 -1.03 0.00 0.00 55.69 53.44 1yua s MET 85 Cb -0.11 -2.21 -0.00 0.00 -1.53 0.00 0.00 34.83 30.98 1yua s MET 85 CO 0.06 0.50 1.62 0.14 -2.03 0.00 0.00 175.02 175.30 1yua s VAL 86 N -1.18 3.60 0.68 5.16 -7.23 -1.07 -1.73 120.40 118.64 1yua s VAL 86 Ca 0.20 0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 60.83 1yua s VAL 86 Cb -0.11 -4.14 0.14 0.00 0.56 0.00 0.00 36.38 32.83 1yua s VAL 86 CO 0.12 -0.94 0.92 0.54 -0.31 0.00 0.00 175.10 175.43 1yua n ARG 87 N 8.76 -0.33 -4.23 4.82 5.12 0.20 -4.16 116.66 126.85 1yua n ARG 87 Ca 0.17 -2.12 -0.22 0.00 -1.93 0.00 0.00 57.85 53.75 1yua n ARG 87 Cb 0.49 -0.74 -0.17 0.00 -1.16 0.00 0.00 32.46 30.89 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 -2.83 1.00 -0.16 -1.55 2.19 -1.26 -1.51 117.98 113.87 1yua s PHE 88 Ca 0.58 -0.34 -0.06 0.00 0.33 0.00 0.00 56.93 57.44 1yua s PHE 88 Cb -0.03 -0.83 -0.04 0.00 -1.31 0.00 0.00 43.02 40.81 1yua s PHE 88 CO 0.39 -0.25 0.06 -1.12 1.83 0.00 0.00 175.22 176.13 1yua s SER 89 N 0.98 5.66 0.00 6.13 0.01 -0.74 -4.85 113.70 120.89 1yua s SER 89 Ca -0.10 0.15 0.25 0.00 1.31 0.00 0.00 55.95 57.56 1yua s SER 89 Cb -0.14 -1.89 0.53 0.00 0.21 0.00 0.00 66.02 64.73 1yua s SER 89 CO 0.00 0.25 1.43 0.54 0.41 0.00 0.00 173.24 175.87 1yua n ARG 90 N 3.06 0.01 0.28 12.44 1.74 -1.26 -1.58 116.66 131.34 1yua n ARG 90 Ca -0.17 -0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.09 1yua n ARG 90 Cb 0.53 -1.50 0.82 0.00 -1.02 0.00 0.00 32.46 31.29 1yua n ARG 90 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1yua h LYS 91 N 0.01 0.00 0.00 5.56 6.56 -1.97 -3.26 116.57 123.47 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 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1yua h LYS 91 CO 0.00 0.00 -0.17 0.25 -2.06 0.00 0.00 179.45 177.47 1yua n THR 92 N -2.99 0.00 -3.99 -0.16 -2.24 -1.24 -5.02 114.28 98.63 1yua n THR 92 Ca -0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1yua n THR 92 Cb 0.22 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.66 -2.42 -0.78 5.02 -0.61 -4.95 118.16 112.77 1yua n LYS 93 Ca 0.00 0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1yua n LYS 93 Cb 0.57 -3.79 -0.01 0.00 -0.02 0.00 0.00 35.03 31.77 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 -4.54 0.93 -3.96 1.97 6.02 -0.94 -4.97 117.38 111.89 1yua n GLN 94 Ca -0.22 -0.60 -0.34 0.00 -0.01 0.00 0.00 57.00 55.83 1yua n GLN 94 Cb 0.64 0.32 -0.14 0.00 1.02 0.00 0.00 30.24 32.07 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 -2.27 2.77 -0.16 -1.09 -1.52 -1.26 -1.79 119.66 114.33 1yua s GLN 95 Ca 0.03 -1.02 -0.02 0.00 -1.95 0.00 0.00 55.36 52.40 1yua s GLN 95 Cb 0.00 -3.01 -0.02 0.00 -0.22 0.00 0.00 33.01 29.77 1yua s GLN 95 CO 0.02 -0.43 -0.07 1.52 -0.25 0.00 0.00 175.29 176.08 1yua s TYR 96 N 1.31 2.93 0.77 0.91 -0.85 -0.57 -1.10 117.35 120.75 1yua s TYR 96 Ca -0.01 -0.60 -0.07 0.00 -0.52 0.00 0.00 57.07 55.87 1yua s TYR 96 Cb -0.17 -1.96 0.11 0.00 0.38 0.00 0.00 41.96 40.32 1yua s TYR 96 CO -0.04 -0.24 1.08 0.08 -1.52 0.00 0.00 175.55 174.91 1yua s VAL 97 N 0.66 2.18 -0.20 -3.49 1.01 0.10 0.62 120.40 121.28 1yua s VAL 97 Ca -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1yua s VAL 97 Cb -0.15 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.44 1yua s VAL 97 CO 0.02 0.00 0.37 -0.94 0.00 0.00 0.00 175.10 174.56 1yua s SER 98 N -4.66 0.08 0.13 3.32 1.04 -0.70 -0.48 113.70 112.42 1yua s SER 98 Ca 0.65 0.60 -0.30 0.00 0.48 0.00 0.00 55.95 57.38 1yua s SER 98 Cb -0.08 1.13 -0.06 0.00 0.10 0.00 0.00 66.02 67.11 1yua s SER 98 CO 0.47 -0.26 0.95 -0.44 0.98 0.00 0.00 173.24 174.94 1yua s SER 99 N 2.55 7.51 -0.02 7.02 0.01 -0.66 -2.23 113.70 127.88 1yua s SER 99 Ca 0.04 1.80 0.03 0.00 1.31 0.00 0.00 55.95 59.14 1yua s SER 99 Cb -0.13 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.50 1yua s SER 99 CO -0.13 -0.04 -0.12 -1.61 0.41 0.00 0.00 173.24 171.75 1yua s GLU 100 N -0.15 1.13 -0.60 12.44 2.02 -0.53 -3.32 118.70 129.69 1yua s GLU 100 Ca 0.46 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.82 1yua s GLU 100 Cb -0.24 -1.05 0.07 0.00 0.10 0.00 0.00 34.13 33.01 1yua s GLU 100 CO 0.30 0.20 0.83 0.15 0.02 0.00 0.00 175.26 176.77 1yua s LYS 101 N -0.04 3.13 0.00 1.61 1.02 -1.26 -3.64 119.74 120.56 1yua s LYS 101 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1yua s LYS 101 Cb -0.07 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 1yua s LYS 101 CO 0.00 -1.59 0.00 -3.47 -0.92 0.00 0.00 175.35 169.38 1yua n ASP 102 N 7.04 -3.40 -0.11 2.83 -0.08 -1.26 -2.39 116.55 119.18 1yua n ASP 102 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1yua n ASP 102 Cb 0.45 -1.98 0.00 0.00 2.34 0.00 0.00 41.12 41.93 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 -1.09 1.15 0.15 0.27 0.00 -1.26 -4.98 105.19 99.43 1yua n GLY 103 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.52 1.61 -1.75 1.61 2.85 -1.01 -5.10 118.16 115.85 1yua n LYS 104 Ca 0.00 -1.27 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1yua n LYS 104 Cb 0.19 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 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 -0.08 -2.05 0.00 0.58 0.00 -1.26 -4.83 120.51 112.86 1yua n ALA 105 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1yua n ALA 105 Cb 0.21 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.14 0.00 0.00 0.00 -2.24 -1.21 -4.66 114.28 106.30 1yua n THR 106 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1yua n THR 106 Cb 0.00 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.03 2.46 3.69 3.38 0.00 -1.26 -5.05 105.19 109.44 1yua n GLY 107 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.47 2.22 -0.19 1.61 -0.00 -1.26 -4.79 118.94 114.06 1yua s TRP 108 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 56.10 56.15 1yua s TRP 108 Cb 0.00 -4.10 0.09 0.00 -0.00 0.00 0.00 33.47 29.46 1yua s TRP 108 CO 0.00 -4.50 0.21 -1.54 -0.00 0.00 0.00 176.95 171.12 1yua s SER 109 N 2.67 1.38 0.50 5.86 1.04 -1.26 -1.65 113.70 122.24 1yua s SER 109 Ca 0.78 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1yua s SER 109 Cb -0.43 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 1yua s SER 109 CO 0.35 -0.32 0.75 0.00 0.98 0.00 0.00 173.24 175.00 1yua s ALA 110 N 2.31 3.59 -0.03 5.32 0.00 0.37 0.76 121.76 134.08 1yua s ALA 110 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1yua s ALA 110 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1yua s ALA 110 CO -0.11 -0.51 -0.05 -0.06 0.00 0.00 0.00 175.76 175.03 1yua s PHE 111 N -2.70 0.68 -0.61 0.00 0.40 -0.81 0.03 117.98 114.97 1yua s PHE 111 Ca 0.50 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.44 1yua s PHE 111 Cb -0.10 -0.55 0.06 0.00 0.51 0.00 0.00 43.02 42.93 1yua s PHE 111 CO 0.41 -0.12 0.95 -0.47 0.70 0.00 0.00 175.22 176.69 1yua s TYR 112 N 0.50 2.73 0.00 0.36 5.04 -0.26 0.30 117.35 126.02 1yua s TYR 112 Ca -0.06 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1yua s TYR 112 Cb -0.10 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.04 1yua s TYR 112 CO 0.00 -1.51 0.00 0.28 -1.34 0.00 0.00 175.55 172.98 1yua n VAL 113 N 6.03 0.00 -2.00 3.14 0.31 -0.97 -4.58 118.33 120.26 1yua n VAL 113 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 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 -0.62 -1.32 0.00 0.00 176.83 174.89 1yua s ASP 114 N -1.00 4.93 -0.93 4.52 2.15 -1.26 -2.84 116.67 122.24 1yua s ASP 114 Ca 0.00 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.00 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 -3.04 0.00 0.61 -0.17 0.00 0.00 175.17 172.57 1yua n GLY 115 N 6.45 -0.05 2.61 2.66 0.00 -1.26 -4.81 105.19 110.79 1yua n GLY 115 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 116 N -2.42 2.76 -0.92 1.61 4.76 -1.13 -5.09 118.16 117.73 1yua n LYS 116 Ca -0.11 -4.71 -0.34 0.00 -2.87 0.00 0.00 58.31 50.27 1yua n LYS 116 Cb 0.51 -2.23 0.09 0.00 -1.84 0.00 0.00 35.03 31.56 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 0.44 -2.70 -3.78 2.13 7.02 -1.25 -2.29 117.44 117.02 1yua n TRP 117 Ca 0.30 0.16 -0.08 0.00 -1.02 0.00 0.00 57.50 56.87 1yua n TRP 117 Cb 0.41 -1.68 -0.01 0.00 -2.42 0.00 0.00 31.31 27.61 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 -3.05 0.00 -4.36 -0.99 0.24 0.15 -4.77 118.33 105.56 1yua n VAL 118 Ca 0.04 -0.92 -0.22 0.00 -2.04 0.00 0.00 64.34 61.21 1yua n VAL 118 Cb 0.54 0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 33.39 1yua n VAL 118 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1yua s GLU 119 N -2.39 1.35 -0.34 7.34 8.01 -1.26 -1.93 118.70 129.48 1yua s GLU 119 Ca 0.15 -1.49 0.07 0.00 0.01 0.00 0.00 54.97 53.70 1yua s GLU 119 Cb -0.01 -1.36 0.47 0.00 -4.31 0.00 0.00 34.13 28.91 1yua s GLU 119 CO 0.11 0.27 1.39 0.41 0.01 0.00 0.00 175.26 177.44 1yua n GLY 120 N 0.04 5.78 3.53 -1.39 0.00 0.23 -4.82 105.19 108.56 1yua n GLY 120 Ca -0.11 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 1yua n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 121 N -0.90 0.70 0.00 1.61 4.76 -1.26 -4.55 118.16 118.51 1yua n LYS 121 Ca 0.41 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1yua n LYS 121 Cb 0.91 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 1yua n LYS 121 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39