#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 -1.08 0.00 3.17 5.15 -1.26 -5.13 115.26 116.11 1yua n ASN 2 Ca 0.00 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 1yua n ASN 2 Cb 0.00 0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.10 0.47 2.52 8.20 0.00 -1.26 -5.08 105.19 108.94 1yua n GLY 3 Ca -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 1yua n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yua n GLU 4 N 0.00 -0.99 -4.39 1.61 4.07 -1.26 -5.06 120.64 114.62 1yua n GLU 4 Ca 0.00 1.23 -0.19 0.00 -0.06 0.00 0.00 57.16 58.14 1yua n GLU 4 Cb 0.00 -4.34 -0.10 0.00 -0.06 0.00 0.00 31.44 26.93 1yua n GLU 4 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1yua s VAL 5 N -2.86 0.96 -0.85 6.31 1.01 -1.26 -5.03 120.40 118.68 1yua s VAL 5 Ca 0.03 -2.00 -0.33 0.00 0.00 0.00 0.00 61.98 59.67 1yua s VAL 5 Cb -0.01 -2.71 -0.20 0.00 0.00 0.00 0.00 36.38 33.46 1yua s VAL 5 CO 0.50 -0.02 2.56 0.00 0.00 0.00 0.00 175.10 178.15 1yua n ALA 6 N -0.59 0.36 -0.72 5.51 0.00 -1.26 -4.82 120.51 118.99 1yua n ALA 6 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 1yua n ALA 6 Cb 0.66 -2.34 0.15 0.00 0.00 0.00 0.00 19.45 17.93 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 8.37 -1.38 0.07 0.00 -0.02 -1.26 -4.93 135.00 135.85 1yua n PRO 7 Ca 0.61 -0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1yua n PRO 7 Cb 0.07 -1.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1yua n PRO 7 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1yua h PRO 8 N -1.93 -0.24 -7.41 0.52 0.13 -2.07 -3.45 132.00 117.55 1yua h PRO 8 Ca -0.52 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.16 1yua h PRO 8 Cb 1.36 0.05 0.13 0.00 0.13 0.00 0.00 31.00 32.68 1yua h PRO 8 CO 0.36 0.17 0.28 0.21 -0.23 0.00 0.00 178.00 178.79 1yua s LYS 9 N -3.66 1.28 0.00 0.86 2.47 -1.26 -4.98 119.74 114.45 1yua s LYS 9 Ca -0.13 0.54 0.00 0.00 -1.56 0.00 0.00 55.97 54.82 1yua s LYS 9 Cb 0.01 -1.83 0.00 0.00 -1.46 0.00 0.00 37.83 34.54 1yua s LYS 9 CO 0.49 -2.15 0.00 0.39 0.16 0.00 0.00 175.35 174.24 1yua n GLU 10 N -3.78 0.00 -3.83 4.03 4.71 -1.26 -5.06 120.64 115.45 1yua n GLU 10 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.89 1yua n GLU 10 Cb 0.57 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 31.02 1yua n GLU 10 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1yua n ASP 11 N -1.46 -4.89 0.00 1.62 2.03 -1.26 -4.94 116.55 107.65 1yua n ASP 11 Ca 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1yua n ASP 11 Cb 0.00 -2.21 0.00 0.00 -0.72 0.00 0.00 41.12 38.19 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yua n PRO 12 N -3.73 0.00 -3.09 -0.67 -0.04 -1.26 -4.91 135.00 121.29 1yua n PRO 12 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1yua n PRO 12 Cb 0.61 -0.03 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.51 -1.58 0.52 0.31 -1.04 -5.01 118.33 111.02 1yua n VAL 13 Ca 0.00 -3.52 -0.49 0.00 -0.01 0.00 0.00 64.34 60.32 1yua n VAL 13 Cb 0.00 -1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.81 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 1.34 1.15 -2.52 5.55 -0.02 -1.26 -1.80 135.00 137.44 1yua n PRO 14 Ca 0.19 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.82 1yua n PRO 14 Cb 0.56 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.09 4.51 -0.30 2.45 4.77 -0.76 -4.76 117.00 124.99 1yua n LEU 15 Ca 0.16 -5.16 0.26 0.00 -0.03 0.00 0.00 56.01 51.23 1yua n LEU 15 Cb 0.24 -0.41 0.48 0.00 -2.33 0.00 0.00 43.42 41.40 1yua n LEU 15 CO 0.61 2.21 0.93 -2.65 -1.33 0.00 0.00 177.39 177.16 1yua n PRO 16 N -0.44 -0.06 -0.32 3.23 -0.02 -1.26 -0.16 135.00 135.97 1yua n PRO 16 Ca 0.37 1.30 0.08 0.00 -2.02 0.00 0.00 63.50 63.23 1yua n PRO 16 Cb 0.65 -2.27 0.19 0.00 -0.02 0.00 0.00 33.50 32.05 1yua n PRO 16 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 17 N 0.00 0.03 -6.15 -0.52 4.81 -1.94 -3.37 114.58 107.45 1yua h GLU 17 Ca 0.74 -0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 59.40 1yua h GLU 17 Cb 1.87 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.20 1yua h GLU 17 CO -0.75 0.02 0.04 -1.17 -0.73 0.00 0.00 179.01 176.42 1yua s LEU 18 N -11.02 4.43 0.99 1.64 2.96 0.77 -5.06 118.68 113.39 1yua s LEU 18 Ca -0.14 1.25 -0.14 0.00 -0.22 0.00 0.00 54.13 54.88 1yua s LEU 18 Cb 0.26 -3.01 0.18 0.00 0.50 0.00 0.00 46.19 44.12 1yua s LEU 18 CO 0.77 0.08 1.14 -2.16 -1.32 0.00 0.00 176.35 174.86 1yua s PRO 19 N -0.18 0.53 0.00 0.98 0.04 -1.26 -2.68 135.00 132.42 1yua s PRO 19 Ca 0.33 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1yua s PRO 19 Cb -0.19 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1yua s PRO 19 CO 0.19 -2.60 0.00 0.00 0.04 0.00 0.00 177.00 174.63 1yua n GLU 21 N -1.01 2.84 -1.50 0.00 2.13 -1.25 -4.83 120.64 117.01 1yua n GLU 21 Ca 0.00 -3.47 -0.14 0.00 0.66 0.00 0.00 57.16 54.21 1yua n GLU 21 Cb 0.00 -2.28 -0.05 0.00 0.27 0.00 0.00 31.44 29.37 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 -0.82 -1.38 0.00 5.31 3.00 -1.26 -4.87 118.16 118.13 1yua n LYS 22 Ca 0.58 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.70 1yua n LYS 22 Cb 0.63 -5.09 0.00 0.00 0.00 0.00 0.00 35.03 30.57 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 -0.69 1.32 0.00 3.14 2.88 -1.26 -4.98 113.62 114.02 1yua n SER 23 Ca -0.14 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.54 1yua n SER 23 Cb 0.47 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.71 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 -4.74 -3.46 9.92 -1.26 -4.72 116.55 112.29 1yua n ASP 24 Ca 0.00 -0.67 -0.40 0.00 -0.53 0.00 0.00 54.79 53.19 1yua n ASP 24 Cb 0.00 -0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.36 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 -2.14 3.34 0.00 2.24 0.00 -1.26 -4.99 121.76 118.95 1yua s ALA 25 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1yua s ALA 25 Cb 0.19 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1yua s ALA 25 CO 0.34 0.08 0.00 2.48 0.00 0.00 0.00 175.76 178.66 1yua n TYR 26 N 2.52 -2.20 -3.81 0.00 4.11 -1.26 -1.60 117.16 114.91 1yua n TYR 26 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.55 1yua n TYR 26 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.72 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 0.53 3.36 -0.12 -3.48 0.08 -1.09 -2.26 117.98 114.98 1yua s PHE 27 Ca 0.00 -2.87 -0.29 0.00 0.12 0.00 0.00 56.93 53.88 1yua s PHE 27 Cb 0.00 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.38 1yua s PHE 27 CO 0.00 -0.82 1.01 0.08 -0.10 0.00 0.00 175.22 175.39 1yua s VAL 28 N -0.04 4.77 -0.45 -0.44 1.01 -0.71 -1.83 120.40 122.71 1yua s VAL 28 Ca 0.16 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 63.90 1yua s VAL 28 Cb -0.22 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1yua s VAL 28 CO -0.02 -0.02 1.80 -0.22 0.00 0.00 0.00 175.10 176.63 1yua s LEU 29 N 2.18 3.43 0.24 3.92 2.96 -0.74 -1.18 118.68 129.48 1yua s LEU 29 Ca 0.47 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.35 1yua s LEU 29 Cb -0.18 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1yua s LEU 29 CO 0.16 -1.97 -0.04 -0.60 -1.32 0.00 0.00 176.35 172.58 1yua s ARG 30 N 6.18 2.20 -0.17 1.98 3.52 0.16 -2.49 118.95 130.33 1yua s ARG 30 Ca 0.73 -1.38 -0.04 0.00 -0.13 0.00 0.00 55.73 54.91 1yua s ARG 30 Cb -0.18 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 1yua s ARG 30 CO 0.28 0.39 -0.02 0.16 -0.81 0.00 0.00 175.30 175.30 1yua s ASP 31 N -3.39 4.84 -0.27 -2.12 1.47 -1.26 -1.20 116.67 114.74 1yua s ASP 31 Ca 0.29 -0.14 0.07 0.00 1.18 0.00 0.00 52.55 53.95 1yua s ASP 31 Cb -0.07 -1.80 0.57 0.00 -0.34 0.00 0.00 42.92 41.28 1yua s ASP 31 CO 0.18 0.15 1.60 0.61 0.68 0.00 0.00 175.17 178.39 1yua n GLY 32 N 3.69 3.34 0.63 2.12 0.00 -1.06 -4.99 105.19 108.92 1yua n GLY 32 Ca -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua n ALA 33 N -0.19 -2.69 0.00 4.61 0.00 -1.26 -4.66 120.51 116.31 1yua n ALA 33 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1yua n ALA 33 Cb 1.22 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.13 0.00 -2.19 0.00 0.00 -1.26 -4.89 120.51 112.05 1yua n ALA 34 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1yua n ALA 34 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.10 1.28 0.45 0.00 0.00 -1.26 -4.81 107.32 102.87 1yua s GLY 35 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 44.72 43.18 1yua s GLY 35 CO 0.00 -1.38 0.39 -1.34 0.00 0.00 0.00 173.10 170.76 1yua s VAL 36 N -4.12 2.38 -0.11 1.40 -7.23 -1.26 -2.58 120.40 108.88 1yua s VAL 36 Ca 0.34 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1yua s VAL 36 Cb 0.07 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1yua s VAL 36 CO 0.08 0.00 0.00 2.22 -0.31 0.00 0.00 175.10 177.09 1yua n PHE 37 N -1.60 0.00 -3.83 2.82 -1.74 -0.34 -4.19 117.46 108.57 1yua n PHE 37 Ca 0.03 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.64 1yua n PHE 37 Cb 0.63 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.46 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 1.49 0.23 5.98 1.02 -1.17 0.39 118.68 126.62 1yua s LEU 38 Ca 0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 54.13 53.41 1yua s LEU 38 Cb 0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 1yua s LEU 38 CO 0.00 -0.24 0.43 0.00 0.02 0.00 0.00 176.35 176.56 1yua s ALA 39 N 1.71 3.79 0.25 4.21 0.00 -0.33 -4.13 121.76 127.28 1yua s ALA 39 Ca -0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1yua s ALA 39 Cb -0.16 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 1yua s ALA 39 CO -0.07 0.34 1.17 0.00 0.00 0.00 0.00 175.76 177.20 1yua s ALA 40 N -1.96 3.43 0.36 0.00 0.00 -1.23 -1.74 121.76 120.62 1yua s ALA 40 Ca 0.39 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1yua s ALA 40 Cb -0.11 -3.38 0.68 0.00 0.00 0.00 0.00 23.12 20.31 1yua s ALA 40 CO 0.30 -0.31 1.85 -2.95 0.00 0.00 0.00 175.76 174.65 1yua h ASN 41 N 4.26 0.24 0.01 0.00 -1.07 -1.79 -1.35 115.58 115.88 1yua h ASN 41 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 55.84 1yua h ASN 41 Cb 1.21 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.40 1yua h ASN 41 CO 0.69 0.47 0.00 0.35 0.07 0.00 0.00 177.43 179.01 1yua n THR 42 N -4.20 0.01 -1.04 6.14 -2.24 -1.26 -4.89 114.28 106.79 1yua n THR 42 Ca -0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1yua n THR 42 Cb 0.33 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.01 -1.10 1.71 4.78 -0.00 -0.51 -0.61 117.46 120.73 1yua n PHE 43 Ca 0.18 0.60 0.12 0.00 -0.00 0.00 0.00 57.45 58.36 1yua n PHE 43 Cb 0.09 -1.44 0.73 0.00 -0.00 0.00 0.00 39.48 38.85 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 0.93 0.86 -0.67 -7.13 -0.04 -1.26 -4.84 135.00 122.83 1yua n PRO 44 Ca 0.11 0.00 0.51 0.00 -0.04 0.00 0.00 63.50 64.08 1yua n PRO 44 Cb 0.26 -1.45 0.78 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.95 0.00 -3.56 0.54 4.81 0.22 -3.30 118.16 115.92 1yua n LYS 45 Ca 0.18 1.03 -0.27 0.00 -0.87 0.00 0.00 58.31 58.39 1yua n LYS 45 Cb 0.08 -2.39 -0.16 0.00 0.02 0.00 0.00 35.03 32.58 1yua n LYS 45 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1yua s SER 46 N -3.86 2.98 -0.34 3.14 0.01 -1.26 -5.00 113.70 109.37 1yua s SER 46 Ca -0.05 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.20 1yua s SER 46 Cb 0.25 -0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.36 1yua s SER 46 CO 0.85 -0.40 2.32 0.54 0.41 0.00 0.00 173.24 176.96 1yua n ARG 47 N 5.26 1.98 -1.43 12.44 1.74 -1.21 -3.57 116.66 131.88 1yua n ARG 47 Ca -0.06 -1.75 -0.27 0.00 -0.77 0.00 0.00 57.85 54.99 1yua n ARG 47 Cb 0.45 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.62 2.92 -3.33 5.56 4.71 -1.26 -4.92 120.64 124.94 1yua n GLU 48 Ca 0.36 -2.18 -0.38 0.00 -0.01 0.00 0.00 57.16 54.95 1yua n GLU 48 Cb 0.58 -2.29 -0.06 0.00 -1.01 0.00 0.00 31.44 28.66 1yua n GLU 48 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1yua s THR 49 N -0.50 5.08 0.00 2.62 -1.32 -1.26 -4.55 115.64 115.71 1yua s THR 49 Ca 0.62 0.99 0.00 0.00 -1.21 0.00 0.00 61.69 62.09 1yua s THR 49 Cb 0.30 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 1yua s THR 49 CO -0.11 0.41 0.00 -1.14 -2.21 0.00 0.00 174.62 171.56 1yua n ARG 50 N 3.02 0.00 -1.67 7.08 0.63 -1.26 -4.96 116.66 119.51 1yua n ARG 50 Ca -0.09 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.42 1yua n ARG 50 Cb 0.52 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.42 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yua n ALA 51 N -0.14 0.86 -2.63 5.13 0.00 -1.26 -3.04 120.51 119.42 1yua n ALA 51 Ca 0.00 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1yua n ALA 51 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 -1.91 4.55 0.16 0.00 0.04 -1.26 -4.47 135.00 132.11 1yua s PRO 52 Ca 0.58 1.48 -0.33 0.00 0.04 0.00 0.00 61.00 62.77 1yua s PRO 52 Cb -0.58 -3.43 -0.16 0.00 0.04 0.00 0.00 34.50 30.37 1yua s PRO 52 CO 0.60 -0.07 1.23 -0.11 0.04 0.00 0.00 177.00 178.70 1yua n LEU 53 N 3.82 1.76 0.26 -3.56 -0.00 -1.26 -2.36 117.00 115.66 1yua n LEU 53 Ca 0.06 1.14 0.17 0.00 -0.00 0.00 0.00 56.01 57.38 1yua n LEU 53 Cb 0.50 -1.24 0.90 0.00 -0.00 0.00 0.00 43.42 43.58 1yua n LEU 53 CO 0.53 -1.14 1.02 0.58 -0.00 0.00 0.00 177.39 178.38 1yua h VAL 54 N 2.85 0.00 0.20 1.96 2.07 -1.72 -0.47 116.25 121.14 1yua h VAL 54 Ca -0.44 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.80 1yua h VAL 54 Cb 1.33 0.73 0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1yua h VAL 54 CO 0.73 0.00 -1.20 1.05 0.02 0.00 0.00 177.57 178.16 1yua h GLU 55 N 0.00 0.46 0.00 1.57 4.11 -1.85 -2.44 114.58 116.44 1yua h GLU 55 Ca 0.00 -0.76 -0.09 0.00 0.07 0.00 0.00 59.36 58.57 1yua h GLU 55 Cb 0.08 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1yua h GLU 55 CO 0.00 1.36 -0.43 0.93 0.07 0.00 0.00 179.01 180.94 1yua h GLU 56 N -0.03 0.00 -0.39 1.06 5.08 -1.48 -2.50 114.58 116.32 1yua h GLU 56 Ca -0.21 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1yua h GLU 56 Cb 1.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1yua h GLU 56 CO 0.23 0.43 -0.37 1.25 -1.00 0.00 0.00 179.01 179.55 1yua h LEU 57 N 0.00 0.98 -0.43 1.33 6.46 -1.23 -1.95 115.31 120.46 1yua h LEU 57 Ca -0.00 -0.44 -0.04 0.00 -0.12 0.00 0.00 57.88 57.27 1yua h LEU 57 Cb 0.82 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1yua h LEU 57 CO 0.06 1.24 0.13 0.22 -0.62 0.00 0.00 178.44 179.46 1yua h TYR 58 N 0.76 0.71 0.00 1.25 5.03 -1.10 -1.86 116.97 121.75 1yua h TYR 58 Ca 0.06 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1yua h TYR 58 Cb 0.96 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 1yua h TYR 58 CO 0.06 0.65 -0.15 -0.09 -1.32 0.00 0.00 178.16 177.31 1yua h ARG 59 N 0.56 0.00 -0.78 1.82 2.43 -1.36 -1.12 114.38 115.92 1yua h ARG 59 Ca 0.14 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1yua h ARG 59 Cb 0.28 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1yua h ARG 59 CO -0.00 0.15 0.22 1.19 -1.51 0.00 0.00 179.97 180.02 1yua n PHE 60 N -3.96 2.12 0.12 2.20 3.72 -0.74 -4.36 117.46 116.56 1yua n PHE 60 Ca -0.02 -1.03 0.01 0.00 -0.05 0.00 0.00 57.45 56.36 1yua n PHE 60 Cb 0.24 -0.61 0.31 0.00 -0.94 0.00 0.00 39.48 38.48 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 2.42 0.19 0.00 -1.08 1.12 -0.61 -0.69 114.38 115.73 1yua h ARG 61 Ca 0.22 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 1yua h ARG 61 Cb 2.10 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 32.05 1yua h ARG 61 CO 0.63 0.48 0.00 -0.40 -3.11 0.00 0.00 179.97 177.57 1yua n ASP 62 N -4.13 0.00 0.00 -3.80 5.68 -1.26 -2.36 116.55 110.68 1yua n ASP 62 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1yua n ASP 62 Cb 0.39 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1yua n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1yua n ARG 63 N -1.25 1.07 -2.81 0.11 1.74 -0.56 -5.01 116.66 109.95 1yua n ARG 63 Ca 0.08 -0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 55.89 1yua n ARG 63 Cb 0.12 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.75 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 -0.40 3.99 0.00 0.55 0.20 -0.37 -4.97 118.68 117.68 1yua s LEU 64 Ca 0.00 0.54 0.00 0.00 0.69 0.00 0.00 54.13 55.36 1yua s LEU 64 Cb 0.00 -3.26 0.00 0.00 -0.43 0.00 0.00 46.19 42.50 1yua s LEU 64 CO 0.00 -0.88 0.65 -2.65 -0.29 0.00 0.00 176.35 173.18 1yua n PRO 65 N 6.82 0.00 0.00 0.98 -0.02 -1.26 -4.93 135.00 136.59 1yua n PRO 65 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1yua n PRO 65 Cb 0.48 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 -1.23 0.00 0.00 -0.52 2.13 -1.26 -4.93 120.64 114.83 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 0.02 0.00 0.27 0.00 0.00 31.44 31.73 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 0.01 0.00 5.31 3.00 -1.26 -1.67 118.16 123.55 1yua n LYS 67 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1yua n LYS 67 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yua n LEU 68 N -1.25 0.32 -0.01 3.14 4.32 -1.26 -4.87 117.00 117.38 1yua n LEU 68 Ca 0.00 -0.32 -0.11 0.00 -0.02 0.00 0.00 56.01 55.56 1yua n LEU 68 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1yua n LEU 68 CO 0.00 0.08 0.60 -0.09 -1.22 0.00 0.00 177.39 176.77 1yua h ARG 69 N 0.00 -0.43 -0.95 3.23 2.43 -1.68 0.96 114.38 117.94 1yua h ARG 69 Ca 0.00 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.41 1yua h ARG 69 Cb 0.70 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.23 1yua h ARG 69 CO 0.00 -0.28 0.52 0.10 -1.51 0.00 0.00 179.97 178.79 1yua h TYR 70 N -0.44 0.88 -0.86 2.20 -0.00 -1.90 0.40 116.97 117.26 1yua h TYR 70 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 58.73 58.84 1yua h TYR 70 Cb 0.60 -0.24 -0.04 0.00 0.00 0.00 0.00 36.73 37.04 1yua h TYR 70 CO -0.47 0.08 0.48 -0.07 -0.00 0.00 0.00 178.16 178.18 1yua h LEU 71 N 0.57 1.06 -0.32 0.10 3.38 -1.22 -0.23 115.31 118.66 1yua h LEU 71 Ca 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1yua h LEU 71 Cb 1.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1yua h LEU 71 CO -0.46 0.84 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1yua n ALA 72 N -2.41 1.94 1.01 1.53 0.00 0.13 -2.32 120.51 120.38 1yua n ALA 72 Ca 0.09 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1yua n ALA 72 Cb 0.09 -1.41 0.23 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.10 0.58 -4.74 0.00 9.92 -0.14 -4.48 116.55 115.57 1yua n ASP 73 Ca 0.04 -0.35 -0.32 0.00 -0.53 0.00 0.00 54.79 53.63 1yua n ASP 73 Cb 0.30 0.30 0.10 0.00 -0.64 0.00 0.00 41.12 41.19 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 74 N -2.97 2.10 0.65 2.24 0.00 -0.91 -4.94 121.76 117.94 1yua s ALA 74 Ca 0.12 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1yua s ALA 74 Cb 0.17 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 1yua s ALA 74 CO 0.70 -1.93 0.47 -2.30 0.00 0.00 0.00 175.76 172.71 1yua n PRO 75 N -3.47 0.38 -1.24 0.00 -0.02 -1.26 -4.92 135.00 124.47 1yua n PRO 75 Ca 0.10 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1yua n PRO 75 Cb 0.52 -1.73 0.12 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 -0.28 1.63 0.00 -0.52 10.64 -1.26 -4.64 117.38 122.96 1yua n GLN 76 Ca 0.10 -3.20 0.00 0.00 -1.83 0.00 0.00 57.00 52.07 1yua n GLN 76 Cb 0.49 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 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 -0.65 -1.20 -4.03 2.61 -0.00 -1.26 -2.58 117.38 110.27 1yua n GLN 77 Ca 0.20 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.95 1yua n GLN 77 Cb 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 31.04 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 2.90 -0.16 2.61 5.75 -1.26 -4.61 116.55 121.78 1yua n ASP 78 Ca 0.00 -2.70 0.28 0.00 -0.01 0.00 0.00 54.79 52.36 1yua n ASP 78 Cb 0.00 0.32 0.72 0.00 -1.03 0.00 0.00 41.12 41.13 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 -2.02 0.24 132.00 130.44 1yua h PRO 79 Ca -0.32 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.58 1yua h PRO 79 Cb 0.97 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1yua h PRO 79 CO 0.52 0.00 -1.48 1.49 -0.21 0.00 0.00 178.00 178.32 1yua h GLU 80 N 0.00 0.00 -0.01 1.05 4.22 -2.04 -3.48 114.58 114.32 1yua h GLU 80 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1yua h GLU 80 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1yua h GLU 80 CO -0.00 0.39 0.00 0.41 -2.18 0.00 0.00 179.01 177.63 1yua n GLY 81 N 1.45 1.61 0.37 1.92 0.00 0.85 -4.97 105.19 106.42 1yua n GLY 81 Ca -0.12 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1yua n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yua n ASN 82 N 0.04 1.08 -1.65 1.61 0.23 -1.26 -4.80 115.26 110.51 1yua n ASN 82 Ca 0.00 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 1yua n ASN 82 Cb 0.01 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 0.07 -4.32 -5.19 -3.83 4.01 -1.26 -3.63 118.16 104.02 1yua n LYS 83 Ca 0.08 3.21 -0.30 0.00 -0.51 0.00 0.00 58.31 60.80 1yua n LYS 83 Cb 0.18 -3.69 -0.16 0.00 -0.51 0.00 0.00 35.03 30.85 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 -3.45 1.89 0.53 -0.18 -1.32 -1.06 -0.57 115.64 111.48 1yua s THR 84 Ca 0.00 -1.01 0.06 0.00 -1.21 0.00 0.00 61.69 59.53 1yua s THR 84 Cb 0.00 -1.58 0.04 0.00 -1.51 0.00 0.00 72.50 69.45 1yua s THR 84 CO 0.00 0.53 0.44 0.00 -2.21 0.00 0.00 174.62 173.39 1yua s MET 85 N -0.45 2.28 0.60 7.08 0.23 -0.89 -2.22 119.30 125.93 1yua s MET 85 Ca 0.06 -1.93 -0.18 0.00 -1.03 0.00 0.00 55.69 52.61 1yua s MET 85 Cb -0.10 -2.19 -0.03 0.00 -1.53 0.00 0.00 34.83 30.98 1yua s MET 85 CO 0.00 -0.60 1.14 0.08 -2.03 0.00 0.00 175.02 173.61 1yua s VAL 86 N -2.73 3.05 -0.36 5.16 1.01 -0.99 -1.22 120.40 124.32 1yua s VAL 86 Ca 0.39 0.59 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1yua s VAL 86 Cb -0.03 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.33 1yua s VAL 86 CO 0.24 -0.20 0.42 -0.60 0.00 0.00 0.00 175.10 174.96 1yua s ARG 87 N -3.56 0.62 -0.18 2.72 6.06 0.27 -4.49 118.95 120.39 1yua s ARG 87 Ca 0.72 -0.57 -0.21 0.00 -2.50 0.00 0.00 55.73 53.16 1yua s ARG 87 Cb -0.24 -0.52 -0.03 0.00 0.06 0.00 0.00 34.95 34.22 1yua s ARG 87 CO 0.33 -1.16 0.65 0.12 -2.50 0.00 0.00 175.30 172.74 1yua s PHE 88 N 1.72 3.41 0.02 5.12 5.36 -1.26 -1.20 117.98 131.15 1yua s PHE 88 Ca 0.15 0.99 0.03 0.00 -0.96 0.00 0.00 56.93 57.14 1yua s PHE 88 Cb -0.13 -2.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 1yua s PHE 88 CO -0.10 -0.13 -0.01 -1.12 -1.46 0.00 0.00 175.22 172.40 1yua s SER 89 N 1.11 5.02 0.08 6.13 0.01 -1.11 -4.96 113.70 119.99 1yua s SER 89 Ca 0.30 -0.07 0.17 0.00 1.31 0.00 0.00 55.95 57.66 1yua s SER 89 Cb -0.16 -1.26 -0.11 0.00 0.21 0.00 0.00 66.02 64.70 1yua s SER 89 CO 0.11 0.25 0.88 0.03 0.41 0.00 0.00 173.24 174.93 1yua h ARG 90 N 4.13 0.00 -0.92 12.44 3.08 -1.96 -1.03 114.38 130.13 1yua h ARG 90 Ca -0.48 0.00 0.27 0.00 0.07 0.00 0.00 59.98 59.83 1yua h ARG 90 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1yua h ARG 90 CO 0.57 0.29 0.87 0.87 -1.07 0.00 0.00 179.97 181.51 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.98 -1.74 116.57 119.45 1yua h LYS 91 Ca -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1yua h LYS 91 Cb 1.54 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.20 1yua h LYS 91 CO 0.05 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.69 1yua n THR 92 N -3.68 0.00 -3.76 -0.16 -2.24 -1.25 -5.04 114.28 98.15 1yua n THR 92 Ca 0.20 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.70 1yua n THR 92 Cb 1.17 1.23 0.01 0.00 -2.10 0.00 0.00 70.33 70.65 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 -1.15 -4.11 -0.78 5.02 -0.42 -4.96 118.16 111.76 1yua n LYS 93 Ca 0.00 0.63 -0.11 0.00 -2.02 0.00 0.00 58.31 56.81 1yua n LYS 93 Cb 0.43 -3.02 -0.08 0.00 -0.02 0.00 0.00 35.03 32.35 1yua n LYS 93 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1yua s GLN 94 N -5.48 1.40 -0.28 1.97 -0.21 -1.04 -5.00 119.66 111.02 1yua s GLN 94 Ca 0.19 -1.49 -0.10 0.00 0.02 0.00 0.00 55.36 53.99 1yua s GLN 94 Cb -0.09 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 34.25 1yua s GLN 94 CO 0.89 -0.53 0.14 -0.65 -2.12 0.00 0.00 175.29 173.03 1yua s GLN 95 N -4.02 3.69 -0.01 2.91 -1.52 -1.26 -2.76 119.66 116.69 1yua s GLN 95 Ca 0.32 -0.48 0.03 0.00 -1.95 0.00 0.00 55.36 53.28 1yua s GLN 95 Cb 0.03 -3.53 -0.00 0.00 -0.22 0.00 0.00 33.01 29.28 1yua s GLN 95 CO 0.12 -0.25 -0.10 1.52 -0.25 0.00 0.00 175.29 176.33 1yua s TYR 96 N 1.68 0.95 0.62 0.91 -0.85 -0.34 -2.06 117.35 118.25 1yua s TYR 96 Ca 0.06 -0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1yua s TYR 96 Cb -0.16 -0.63 0.04 0.00 0.38 0.00 0.00 41.96 41.59 1yua s TYR 96 CO 0.07 -0.04 0.89 0.08 -1.52 0.00 0.00 175.55 175.04 1yua s VAL 97 N -0.12 2.79 -0.21 -3.49 1.01 0.56 0.96 120.40 121.90 1yua s VAL 97 Ca 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1yua s VAL 97 Cb -0.05 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.30 1yua s VAL 97 CO -0.00 -0.11 0.26 -0.94 0.00 0.00 0.00 175.10 174.31 1yua s SER 98 N -4.43 1.05 -0.44 3.32 1.04 -0.35 -0.94 113.70 112.95 1yua s SER 98 Ca 0.57 -0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.66 1yua s SER 98 Cb -0.11 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1yua s SER 98 CO 0.42 -0.32 2.03 -0.44 0.98 0.00 0.00 173.24 175.92 1yua s SER 99 N 2.38 5.28 -0.17 7.02 0.01 -0.33 -2.09 113.70 125.80 1yua s SER 99 Ca 0.08 1.04 -0.04 0.00 1.31 0.00 0.00 55.95 58.34 1yua s SER 99 Cb -0.15 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1yua s SER 99 CO -0.13 -2.24 -0.04 -0.70 0.41 0.00 0.00 173.24 170.54 1yua s GLU 100 N 6.82 3.60 -0.60 12.44 2.12 0.27 -3.96 118.70 139.38 1yua s GLU 100 Ca 0.83 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 55.37 1yua s GLU 100 Cb -0.20 -2.93 0.04 0.00 0.26 0.00 0.00 34.13 31.31 1yua s GLU 100 CO 0.28 0.14 1.03 0.21 -0.54 0.00 0.00 175.26 176.38 1yua s LYS 101 N 0.62 3.29 1.64 4.30 2.20 -1.25 -4.38 119.74 126.16 1yua s LYS 101 Ca -0.03 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1yua s LYS 101 Cb -0.14 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1yua s LYS 101 CO 0.02 -1.68 0.00 -3.47 -0.36 0.00 0.00 175.35 169.87 1yua n ASP 102 N 7.92 0.00 -2.73 1.43 2.03 -1.26 -2.29 116.55 121.65 1yua n ASP 102 Ca 0.02 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.24 1yua n ASP 102 Cb 0.47 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.96 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yua n GLY 103 N 0.00 1.37 0.00 0.27 0.00 -1.26 -4.91 105.19 100.65 1yua n GLY 103 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.24 0.46 -0.88 1.61 2.85 -0.97 -5.13 118.16 115.85 1yua n LYS 104 Ca 0.03 -0.65 0.11 0.00 -1.05 0.00 0.00 58.31 56.75 1yua n LYS 104 Cb 0.80 -0.58 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 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 -3.02 0.16 0.58 0.00 -1.26 -4.86 120.51 112.03 1yua n ALA 105 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1yua n ALA 105 Cb 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.81 0.00 0.00 0.00 -2.24 -1.25 -4.30 114.28 103.67 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 0.60 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.25 3.81 3.69 3.38 0.00 -1.26 -5.07 105.19 108.49 1yua n GLY 107 Ca 0.00 -0.59 -0.62 0.00 0.00 0.00 0.00 46.02 44.81 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 1.71 -3.73 1.61 -0.00 -1.26 -4.80 117.44 110.97 1yua n TRP 108 Ca 0.00 0.89 -0.21 0.00 -0.00 0.00 0.00 57.50 58.17 1yua n TRP 108 Cb 0.00 -2.30 -0.18 0.00 -0.00 0.00 0.00 31.31 28.83 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 2.64 1.30 0.43 5.87 1.04 -1.26 -1.19 113.70 122.52 1yua s SER 109 Ca 0.99 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.39 1yua s SER 109 Cb -1.28 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1yua s SER 109 CO 0.71 -0.22 0.70 0.00 0.98 0.00 0.00 173.24 175.41 1yua s ALA 110 N 2.01 3.50 -0.04 5.32 0.00 -0.12 -1.62 121.76 130.81 1yua s ALA 110 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1yua s ALA 110 Cb -0.12 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1yua s ALA 110 CO -0.04 -0.20 -0.11 -0.06 0.00 0.00 0.00 175.76 175.35 1yua s PHE 111 N -2.56 1.23 -0.56 0.00 0.40 -0.81 -0.32 117.98 115.35 1yua s PHE 111 Ca 0.45 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 56.15 1yua s PHE 111 Cb -0.10 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.57 1yua s PHE 111 CO 0.41 -0.18 1.04 -0.47 0.70 0.00 0.00 175.22 176.71 1yua s TYR 112 N 0.42 2.72 0.00 0.36 5.04 -0.88 0.30 117.35 125.31 1yua s TYR 112 Ca -0.08 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1yua s TYR 112 Cb -0.12 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 37.95 1yua s TYR 112 CO 0.02 -1.44 0.00 0.28 -1.34 0.00 0.00 175.55 173.07 1yua n VAL 113 N 6.37 0.00 -2.02 3.14 0.31 -0.79 -4.82 118.33 120.52 1yua n VAL 113 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.11 1yua n VAL 113 Cb 0.48 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.98 -0.98 4.52 1.01 -1.26 -2.85 116.67 121.09 1yua s ASP 114 Ca 0.00 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.22 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -3.00 0.00 0.61 0.21 0.00 0.00 175.17 172.99 1yua n GLY 115 N 6.42 0.06 2.46 0.21 0.00 -1.26 -4.82 105.19 108.26 1yua n GLY 115 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.36 2.19 -0.89 1.61 4.01 -1.13 -5.10 118.16 116.48 1yua n LYS 116 Ca -0.12 -4.46 -0.34 0.00 -0.51 0.00 0.00 58.31 52.89 1yua n LYS 116 Cb 0.50 -2.13 0.10 0.00 -0.51 0.00 0.00 35.03 32.99 1yua n LYS 116 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1yua n TRP 117 N 1.10 -1.74 -3.49 2.13 7.02 -1.25 -1.89 117.44 119.32 1yua n TRP 117 Ca 0.28 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.98 1yua n TRP 117 Cb 0.42 -1.77 0.00 0.00 -2.42 0.00 0.00 31.31 27.54 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 -3.28 0.00 -3.73 -0.99 0.24 0.15 -4.76 118.33 105.95 1yua n VAL 118 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1yua n VAL 118 Cb 0.53 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.99 0.25 -0.79 7.34 -1.05 -1.26 -1.93 118.70 119.27 1yua s GLU 119 Ca 0.00 0.53 -0.03 0.00 -0.15 0.00 0.00 54.97 55.32 1yua s GLU 119 Cb 0.00 -0.05 0.20 0.00 -0.44 0.00 0.00 34.13 33.83 1yua s GLU 119 CO 0.00 -0.14 0.65 0.20 0.95 0.00 0.00 175.26 176.93 1yua s GLY 120 N 1.05 2.85 0.26 -3.83 0.00 -0.64 -4.97 107.32 102.04 1yua s GLY 120 Ca -0.07 -3.61 -0.30 0.00 0.00 0.00 0.00 44.72 40.74 1yua s GLY 120 CO -0.07 1.16 1.13 1.17 0.00 0.00 0.00 173.10 176.49 1yua n LYS 121 N 2.81 1.48 -0.23 2.90 4.81 -1.26 -4.30 118.16 124.37 1yua n LYS 121 Ca 0.16 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1yua n LYS 121 Cb 0.38 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1yua n LYS 121 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20