#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 0.00 0.00 7.83 2.35 -2.12 -3.43 115.58 120.21 1yua h ASN 2 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yua h ASN 2 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1yua h ASN 2 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1yua n GLY 3 N -0.08 -0.67 3.48 2.83 0.00 -1.26 -5.13 105.19 104.36 1yua n GLY 3 Ca 0.01 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1yua n GLY 3 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yua n GLU 4 N 0.00 0.21 -3.19 1.61 0.28 -1.26 -4.96 120.64 113.33 1yua n GLU 4 Ca 0.00 0.12 -0.20 0.00 -0.16 0.00 0.00 57.16 56.92 1yua n GLU 4 Cb 0.00 -1.91 -0.04 0.00 1.43 0.00 0.00 31.44 30.92 1yua n GLU 4 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1yua n VAL 5 N -2.67 -0.33 -2.41 3.84 3.14 -1.26 -5.02 118.33 113.62 1yua n VAL 5 Ca 0.10 -4.40 -0.01 0.00 -2.96 0.00 0.00 64.34 57.07 1yua n VAL 5 Cb 0.51 -0.85 -0.01 0.00 -1.06 0.00 0.00 33.84 32.42 1yua n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yua n ALA 6 N 0.67 -3.43 -0.69 1.55 0.00 -1.26 -4.95 120.51 112.39 1yua n ALA 6 Ca 0.24 0.76 -0.32 0.00 0.00 0.00 0.00 53.44 54.12 1yua n ALA 6 Cb 0.61 -1.50 0.15 0.00 0.00 0.00 0.00 19.45 18.72 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 0.73 -1.51 -0.51 0.00 -0.02 -1.26 -4.98 135.00 127.46 1yua n PRO 7 Ca -0.08 -0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 60.83 1yua n PRO 7 Cb 0.13 -1.58 0.12 0.00 -0.02 0.00 0.00 33.50 32.14 1yua n PRO 7 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yua n PRO 8 N -1.46 -1.96 -3.34 0.52 -0.04 -1.26 -4.54 135.00 122.93 1yua n PRO 8 Ca 0.01 -0.83 -0.30 0.00 -0.04 0.00 0.00 63.50 62.34 1yua n PRO 8 Cb 0.61 -0.76 0.03 0.00 -0.04 0.00 0.00 33.50 33.34 1yua n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yua n LYS 9 N -3.04 -1.96 -2.11 0.54 4.76 -1.26 -4.72 118.16 110.36 1yua n LYS 9 Ca 0.07 1.56 -0.42 0.00 -2.87 0.00 0.00 58.31 56.65 1yua n LYS 9 Cb 0.28 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 30.67 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 -0.11 3.03 -3.15 1.97 4.71 -1.26 -4.67 120.64 121.17 1yua n GLU 10 Ca -0.04 -2.93 -0.22 0.00 -0.01 0.00 0.00 57.16 53.96 1yua n GLU 10 Cb 0.62 -3.35 -0.04 0.00 -1.01 0.00 0.00 31.44 27.66 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 6.85 1.75 0.00 1.62 -0.08 -1.26 -4.99 116.55 120.44 1yua n ASP 11 Ca 0.50 -3.14 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1yua n ASP 11 Cb 0.42 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1yua n PRO 12 N 0.37 0.00 -3.63 -0.67 -0.04 -1.26 -4.78 135.00 124.99 1yua n PRO 12 Ca 0.26 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 1yua n PRO 12 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 1yua n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yua s VAL 13 N 0.01 4.34 0.16 0.52 1.01 -1.25 -4.95 120.40 120.23 1yua s VAL 13 Ca 0.00 -3.63 -0.31 0.00 0.00 0.00 0.00 61.98 58.04 1yua s VAL 13 Cb 0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1yua s VAL 13 CO 0.00 -1.05 1.37 -2.16 0.00 0.00 0.00 175.10 173.26 1yua s PRO 14 N -1.05 4.34 -0.47 2.72 0.04 -1.26 0.27 135.00 139.58 1yua s PRO 14 Ca 0.25 2.10 0.05 0.00 0.04 0.00 0.00 61.00 63.44 1yua s PRO 14 Cb -0.10 -3.21 0.41 0.00 0.04 0.00 0.00 34.50 31.64 1yua s PRO 14 CO -0.10 -0.37 1.14 1.28 0.04 0.00 0.00 177.00 178.98 1yua n LEU 15 N 3.31 4.83 0.02 -3.56 4.77 -0.78 -4.87 117.00 120.72 1yua n LEU 15 Ca 0.09 -5.25 0.12 0.00 -0.03 0.00 0.00 56.01 50.94 1yua n LEU 15 Cb 0.42 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 41.20 1yua n LEU 15 CO 0.59 2.23 0.91 -2.65 -1.33 0.00 0.00 177.39 177.13 1yua n PRO 16 N -0.46 0.02 0.00 3.23 -0.02 -1.26 0.28 135.00 136.79 1yua n PRO 16 Ca 0.39 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1yua n PRO 16 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.50 0.76 -3.07 -0.52 4.07 -1.26 -4.01 120.64 114.11 1yua n GLU 17 Ca 0.10 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.05 1yua n GLU 17 Cb 1.03 -1.19 -0.04 0.00 -0.06 0.00 0.00 31.44 31.18 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1yua s LEU 18 N -0.50 -0.06 0.95 4.31 2.96 0.14 -5.08 118.68 121.40 1yua s LEU 18 Ca 0.00 -2.39 -0.15 0.00 -0.22 0.00 0.00 54.13 51.37 1yua s LEU 18 Cb 0.00 0.76 -0.06 0.00 0.50 0.00 0.00 46.19 47.39 1yua s LEU 18 CO 0.00 -0.11 -0.15 -2.65 -1.32 0.00 0.00 176.35 172.12 1yua n PRO 19 N 2.90 -0.12 0.00 0.98 -0.02 -1.26 -2.20 135.00 135.28 1yua n PRO 19 Ca 0.24 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1yua n PRO 19 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.38 2.67 -1.46 0.00 2.13 -1.26 -4.82 120.64 116.52 1yua n GLU 21 Ca 0.00 -3.28 -0.14 0.00 0.66 0.00 0.00 57.16 54.39 1yua n GLU 21 Cb 0.00 -2.28 -0.06 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 -0.93 -1.35 0.00 5.31 4.81 -1.26 -4.89 118.16 119.85 1yua n LYS 22 Ca 0.63 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 1yua n LYS 22 Cb 0.72 -5.13 0.00 0.00 0.02 0.00 0.00 35.03 30.64 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 -0.70 0.38 -0.36 3.14 2.88 -1.26 -4.96 113.62 112.75 1yua n SER 23 Ca -0.15 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.42 1yua n SER 23 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.99 -4.87 -3.46 9.92 -1.26 -4.81 116.55 113.05 1yua n ASP 24 Ca 0.00 -2.03 -0.37 0.00 -0.53 0.00 0.00 54.79 51.86 1yua n ASP 24 Cb 0.00 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 25 N -1.73 3.85 0.00 2.24 0.00 -1.26 -4.91 121.76 119.95 1yua s ALA 25 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1yua s ALA 25 Cb 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1yua s ALA 25 CO 0.06 0.60 0.00 2.48 0.00 0.00 0.00 175.76 178.90 1yua n TYR 26 N 1.95 -0.81 -3.77 0.00 0.18 -1.26 -1.50 117.16 111.95 1yua n TYR 26 Ca -0.19 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.25 1yua n TYR 26 Cb 0.55 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.40 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1yua s PHE 27 N 0.49 3.45 0.24 -3.48 0.08 -0.94 -1.42 117.98 116.41 1yua s PHE 27 Ca 0.00 -2.92 -0.04 0.00 0.12 0.00 0.00 56.93 54.09 1yua s PHE 27 Cb 0.00 -3.08 0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1yua s PHE 27 CO 0.00 -0.77 0.18 1.33 -0.10 0.00 0.00 175.22 175.86 1yua n VAL 28 N 3.06 0.00 -3.39 -0.44 0.24 -0.59 -1.86 118.33 115.36 1yua n VAL 28 Ca 0.11 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.34 62.17 1yua n VAL 28 Cb 0.36 -0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 1yua n VAL 28 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1yua s LEU 29 N 0.00 -0.01 0.00 1.34 2.96 0.14 -3.24 118.68 119.88 1yua s LEU 29 Ca 0.13 -1.38 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1yua s LEU 29 Cb -0.02 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.11 1yua s LEU 29 CO 0.10 -0.31 0.00 0.54 -1.32 0.00 0.00 176.35 175.36 1yua n ARG 30 N 4.58 0.85 -3.39 1.98 1.74 -0.79 -3.87 116.66 117.76 1yua n ARG 30 Ca 0.07 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.88 1yua n ARG 30 Cb 0.45 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 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 -1.00 1.75 0.00 0.55 -4.77 -1.26 -2.10 116.67 109.84 1yua s ASP 31 Ca 0.00 -2.73 0.00 0.00 -3.30 0.00 0.00 52.55 46.52 1yua s ASP 31 Cb 0.00 -0.32 0.00 0.00 -1.09 0.00 0.00 42.92 41.51 1yua s ASP 31 CO 0.00 -0.21 0.00 0.61 0.70 0.00 0.00 175.17 176.27 1yua n GLY 32 N 3.24 0.22 3.57 2.12 0.00 0.85 -4.84 105.19 110.34 1yua n GLY 32 Ca 0.24 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua s ALA 33 N -1.00 1.19 -1.63 4.61 0.00 -1.26 -3.53 121.76 120.14 1yua s ALA 33 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 1yua s ALA 33 Cb 0.00 -4.60 0.12 0.00 0.00 0.00 0.00 23.12 18.64 1yua s ALA 33 CO 0.00 -5.53 0.84 0.00 0.00 0.00 0.00 175.76 171.06 1yua n ALA 34 N 16.38 -1.32 0.00 0.00 0.00 -1.26 -4.38 120.51 129.93 1yua n ALA 34 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1yua n ALA 34 Cb 0.46 -3.71 0.00 0.00 0.00 0.00 0.00 19.45 16.19 1yua n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yua n GLY 35 N -1.53 0.24 3.90 0.00 0.00 -1.23 -4.64 105.19 101.94 1yua n GLY 35 Ca 0.04 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 4.14 -0.00 1.61 -7.23 -1.26 -0.11 120.40 117.55 1yua s VAL 36 Ca 0.00 0.24 -0.25 0.00 -1.81 0.00 0.00 61.98 60.17 1yua s VAL 36 Cb 0.00 -3.63 0.08 0.00 0.56 0.00 0.00 36.38 33.39 1yua s VAL 36 CO 0.00 -0.69 1.12 2.22 -0.31 0.00 0.00 175.10 177.44 1yua n PHE 37 N -2.57 -0.45 -3.83 2.82 -1.74 -0.89 -4.49 117.46 106.31 1yua n PHE 37 Ca 0.04 -0.69 -0.29 0.00 -0.56 0.00 0.00 57.45 55.95 1yua n PHE 37 Cb 0.56 0.31 -0.16 0.00 1.52 0.00 0.00 39.48 41.72 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 2.07 0.37 5.98 1.02 -1.22 -1.88 118.68 125.01 1yua s LEU 38 Ca 0.26 -1.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.21 1yua s LEU 38 Cb -0.01 -0.93 -0.05 0.00 0.02 0.00 0.00 46.19 45.22 1yua s LEU 38 CO -0.00 -0.29 0.66 0.00 0.02 0.00 0.00 176.35 176.74 1yua s ALA 39 N 1.59 3.51 0.40 4.21 0.00 -1.20 -4.00 121.76 126.27 1yua s ALA 39 Ca -0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1yua s ALA 39 Cb -0.18 -2.45 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 1yua s ALA 39 CO -0.10 0.02 0.96 0.00 0.00 0.00 0.00 175.76 176.65 1yua s ALA 40 N -2.32 3.08 -1.58 0.00 0.00 -1.26 -1.54 121.76 118.14 1yua s ALA 40 Ca 0.46 0.46 0.20 0.00 0.00 0.00 0.00 51.96 53.08 1yua s ALA 40 Cb -0.10 -3.17 1.04 0.00 0.00 0.00 0.00 23.12 20.88 1yua s ALA 40 CO 0.34 0.09 1.60 -1.71 0.00 0.00 0.00 175.76 176.08 1yua n ASN 41 N -0.31 0.00 -0.61 0.00 5.15 -0.51 -2.10 115.26 116.88 1yua n ASN 41 Ca 0.06 -0.15 0.08 0.00 -0.60 0.00 0.00 54.58 53.97 1yua n ASN 41 Cb 0.53 -0.21 0.06 0.00 -0.53 0.00 0.00 39.78 39.62 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 -1.21 0.00 -1.18 -0.44 -2.24 -1.26 -4.86 114.28 103.09 1yua n THR 42 Ca 0.11 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 61.02 1yua n THR 42 Cb 0.13 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1yua n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1yua n PHE 43 N 0.73 -0.75 1.34 4.78 -0.00 -0.89 -0.75 117.46 121.91 1yua n PHE 43 Ca 0.09 0.76 0.15 0.00 -0.00 0.00 0.00 57.45 58.45 1yua n PHE 43 Cb 0.41 -1.64 0.73 0.00 -0.00 0.00 0.00 39.48 38.98 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 0.34 -0.46 -7.13 -0.04 -1.26 -4.81 135.00 122.57 1yua n PRO 44 Ca 0.14 -0.00 0.41 0.00 -0.04 0.00 0.00 63.50 64.01 1yua n PRO 44 Cb 0.24 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.01 0.00 -3.92 0.54 3.64 -1.34 -3.10 116.57 112.40 1yua h LYS 45 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 1yua h LYS 45 Cb 0.33 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.75 1yua h LYS 45 CO 0.00 0.00 -0.75 -1.12 -2.27 0.00 0.00 179.45 175.31 1yua s SER 46 N -3.98 4.26 -0.28 4.20 0.01 -1.25 -4.97 113.70 111.68 1yua s SER 46 Ca -0.04 -1.79 -0.00 0.00 1.31 0.00 0.00 55.95 55.42 1yua s SER 46 Cb 0.22 -1.10 0.24 0.00 0.21 0.00 0.00 66.02 65.59 1yua s SER 46 CO 0.73 -0.40 1.84 0.54 0.41 0.00 0.00 173.24 176.36 1yua n ARG 47 N 4.66 1.73 -1.13 12.44 1.74 -1.18 -3.99 116.66 130.94 1yua n ARG 47 Ca -0.00 -1.51 -0.18 0.00 -0.77 0.00 0.00 57.85 55.39 1yua n ARG 47 Cb 0.42 -1.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.16 2.03 -3.54 5.56 1.02 -1.26 -4.85 120.64 119.76 1yua n GLU 48 Ca 0.29 -1.57 -0.41 0.00 -0.02 0.00 0.00 57.16 55.46 1yua n GLU 48 Cb 0.72 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 1yua n GLU 48 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1yua s THR 49 N -1.09 5.11 0.30 2.62 -4.23 -1.26 -4.63 115.64 112.47 1yua s THR 49 Ca 0.50 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 1yua s THR 49 Cb 0.30 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.50 1yua s THR 49 CO -0.09 -0.09 0.87 0.00 -0.54 0.00 0.00 174.62 174.77 1yua s ARG 50 N 1.68 1.87 0.23 3.99 1.70 -1.26 -4.92 118.95 122.24 1yua s ARG 50 Ca 0.05 -1.18 -0.31 0.00 -0.47 0.00 0.00 55.73 53.82 1yua s ARG 50 Cb -0.18 0.53 -0.13 0.00 -0.57 0.00 0.00 34.95 34.60 1yua s ARG 50 CO 0.09 -0.87 1.45 0.00 -1.08 0.00 0.00 175.30 174.89 1yua n ALA 51 N -0.57 1.26 -1.37 7.88 0.00 -1.26 -3.45 120.51 123.00 1yua n ALA 51 Ca -0.06 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1yua n ALA 51 Cb 0.60 -2.30 0.16 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.24 0.68 -0.00 0.00 0.04 -1.26 -4.79 135.00 129.43 1yua s PRO 52 Ca 0.69 0.34 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 1yua s PRO 52 Cb -0.64 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1yua s PRO 52 CO 0.48 -2.52 0.35 -0.51 0.04 0.00 0.00 177.00 174.84 1yua s LEU 53 N -6.26 4.42 0.30 -3.56 1.43 -1.26 -2.25 118.68 111.51 1yua s LEU 53 Ca 0.65 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1yua s LEU 53 Cb -0.16 -2.58 0.61 0.00 0.03 0.00 0.00 46.19 44.09 1yua s LEU 53 CO 0.55 0.30 1.86 0.58 0.23 0.00 0.00 176.35 179.87 1yua h VAL 54 N 3.52 0.93 -0.50 -1.59 2.07 -1.71 0.16 116.25 119.12 1yua h VAL 54 Ca -0.52 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1yua h VAL 54 Cb 1.21 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1yua h VAL 54 CO 0.62 0.17 -0.09 1.05 0.02 0.00 0.00 177.57 179.34 1yua h GLU 55 N 0.93 0.91 0.00 1.57 4.11 -1.80 -1.27 114.58 119.04 1yua h GLU 55 Ca 0.47 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1yua h GLU 55 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1yua h GLU 55 CO -0.23 0.96 0.00 0.93 0.07 0.00 0.00 179.01 180.74 1yua h GLU 56 N 0.82 0.00 -0.04 1.06 5.08 -1.22 -2.57 114.58 117.71 1yua h GLU 56 Ca 0.14 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.26 1yua h GLU 56 Cb 0.62 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1yua h GLU 56 CO 0.04 0.00 -0.91 1.25 -1.00 0.00 0.00 179.01 178.39 1yua h LEU 57 N 0.00 0.87 -0.69 1.33 7.12 0.38 -2.76 115.31 121.55 1yua h LEU 57 Ca 0.00 -0.71 -0.11 0.00 0.13 0.00 0.00 57.88 57.19 1yua h LEU 57 Cb 0.45 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1yua h LEU 57 CO 0.00 1.46 -0.20 0.22 -0.13 0.00 0.00 178.44 179.79 1yua h TYR 58 N 0.36 0.90 0.73 1.25 5.03 -1.07 0.36 116.97 124.53 1yua h TYR 58 Ca -0.10 -0.20 -0.04 0.00 2.58 0.00 0.00 58.73 60.97 1yua h TYR 58 Cb 1.56 -0.22 0.01 0.00 1.55 0.00 0.00 36.73 39.63 1yua h TYR 58 CO 0.11 0.93 -0.35 -0.09 -1.32 0.00 0.00 178.16 177.43 1yua h ARG 59 N 0.70 -0.94 -0.69 1.82 2.43 -1.48 -2.55 114.38 113.67 1yua h ARG 59 Ca 0.10 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1yua h ARG 59 Cb 0.71 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1yua h ARG 59 CO 0.05 -0.61 0.00 1.19 -1.51 0.00 0.00 179.97 179.09 1yua n PHE 60 N -5.49 0.77 -0.32 2.20 3.72 -1.04 -4.23 117.46 113.07 1yua n PHE 60 Ca -0.14 -0.28 -0.00 0.00 -0.05 0.00 0.00 57.45 56.97 1yua n PHE 60 Cb 0.40 -0.20 0.13 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.75 1.01 0.00 -1.08 1.12 0.17 0.75 114.38 118.10 1yua h ARG 61 Ca 0.00 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1yua h ARG 61 Cb 0.95 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1yua h ARG 61 CO 0.16 0.67 -0.10 0.38 -3.11 0.00 0.00 179.97 177.96 1yua h ASP 62 N 1.04 0.00 0.61 -3.80 3.04 -1.78 -2.37 116.42 113.17 1yua h ASP 62 Ca 0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 1yua h ASP 62 Cb 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 1yua h ASP 62 CO -0.14 0.10 -0.61 -1.14 -2.04 0.00 0.00 179.24 175.41 1yua n ARG 63 N -3.26 0.14 -2.90 4.15 0.63 0.06 -4.88 116.66 110.60 1yua n ARG 63 Ca 0.00 0.03 -0.34 0.00 -0.92 0.00 0.00 57.85 56.62 1yua n ARG 63 Cb 0.35 -1.57 -0.07 0.00 0.45 0.00 0.00 32.46 31.62 1yua n ARG 63 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1yua s LEU 64 N -3.53 4.08 -0.04 6.15 1.43 -0.05 -4.92 118.68 121.80 1yua s LEU 64 Ca 0.08 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 1yua s LEU 64 Cb 0.16 -4.26 0.08 0.00 0.03 0.00 0.00 46.19 42.20 1yua s LEU 64 CO 0.72 -0.23 0.86 -0.81 0.23 0.00 0.00 176.35 177.11 1yua n PRO 65 N -0.21 1.28 -0.70 1.29 -0.04 -1.26 -4.79 135.00 130.56 1yua n PRO 65 Ca 0.04 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1yua n PRO 65 Cb 0.53 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.19 -0.10 0.00 0.54 0.00 -1.26 -4.79 120.64 115.22 1yua n GLU 66 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 57.16 57.29 1yua n GLU 66 Cb 0.48 -3.83 0.35 0.00 0.00 0.00 0.00 31.44 28.44 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1yua n LYS 67 N -1.87 0.47 -0.32 5.31 4.81 -1.26 -2.61 118.16 122.68 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 0.03 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 -0.89 0.00 -0.14 3.14 4.32 -1.26 -4.93 117.00 117.24 1yua n LEU 68 Ca 0.09 -0.73 -0.05 0.00 -0.02 0.00 0.00 56.01 55.29 1yua n LEU 68 Cb 0.04 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.85 1yua n LEU 68 CO 0.07 0.48 0.69 -0.09 -1.22 0.00 0.00 177.39 177.32 1yua h ARG 69 N 0.00 -0.15 -0.97 3.23 2.43 -1.89 0.24 114.38 117.29 1yua h ARG 69 Ca 0.00 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.48 1yua h ARG 69 Cb 1.13 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 1yua h ARG 69 CO 0.00 -0.10 0.45 0.10 -1.51 0.00 0.00 179.97 178.92 1yua h TYR 70 N -0.15 0.72 -0.46 2.20 -0.00 -1.92 0.72 116.97 118.08 1yua h TYR 70 Ca 0.21 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.94 1yua h TYR 70 Cb 0.48 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.03 1yua h TYR 70 CO -0.49 -0.21 0.15 -0.07 -0.00 0.00 0.00 178.16 177.54 1yua h LEU 71 N 0.27 0.67 0.00 0.10 3.38 -0.92 -0.97 115.31 117.84 1yua h LEU 71 Ca 0.68 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1yua h LEU 71 Cb 1.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1yua h LEU 71 CO -0.64 0.69 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1yua n ALA 72 N -2.35 2.05 0.09 1.53 0.00 0.23 -2.25 120.51 119.81 1yua n ALA 72 Ca 0.01 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1yua n ALA 72 Cb 0.18 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 0.00 -4.30 0.00 5.19 0.45 -3.43 116.42 114.33 1yua h ASP 73 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1yua h ASP 73 Cb 0.12 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.76 1yua h ASP 73 CO 0.00 0.25 0.33 0.00 -3.12 0.00 0.00 179.24 176.69 1yua s ALA 74 N -3.16 2.28 1.05 3.45 0.00 -0.95 -4.97 121.76 119.45 1yua s ALA 74 Ca -0.00 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1yua s ALA 74 Cb 0.09 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1yua s ALA 74 CO 0.78 -1.71 -0.36 -2.30 0.00 0.00 0.00 175.76 172.17 1yua n PRO 75 N -3.37 -0.81 -0.77 0.00 -0.02 -1.26 -4.91 135.00 123.86 1yua n PRO 75 Ca 0.09 -0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.39 1yua n PRO 75 Cb 0.53 -1.49 0.06 0.00 -0.02 0.00 0.00 33.50 32.57 1yua n PRO 75 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yua n GLN 76 N -0.46 0.44 0.00 -0.52 6.02 -1.26 -4.68 117.38 116.93 1yua n GLN 76 Ca 0.01 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 1yua n GLN 76 Cb 0.63 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 31.22 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yua n GLN 77 N -0.24 0.00 0.00 -1.09 10.64 -1.26 -2.37 117.38 123.06 1yua n GLN 77 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1yua n GLN 77 Cb 0.83 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.21 1yua n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1yua n ASP 78 N 0.00 0.00 0.15 2.61 2.03 -1.26 -2.49 116.55 117.58 1yua n ASP 78 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1yua n ASP 78 Cb 0.00 0.11 0.37 0.00 -0.72 0.00 0.00 41.12 40.87 1yua n ASP 78 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1yua n PRO 79 N -1.71 0.09 0.00 -0.67 -0.02 -1.26 -0.65 135.00 130.79 1yua n PRO 79 Ca 0.00 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1yua n PRO 79 Cb 0.00 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1yua n PRO 79 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 80 N 0.00 0.10 0.00 -0.52 4.57 -2.03 -3.48 114.58 113.22 1yua h GLU 80 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1yua h GLU 80 Cb 0.45 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1yua h GLU 80 CO 0.00 0.78 0.00 0.41 -1.18 0.00 0.00 179.01 179.02 1yua n GLY 81 N 1.67 1.93 3.47 1.92 0.00 0.18 -5.04 105.19 109.32 1yua n GLY 81 Ca -0.20 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 1yua n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yua n ASN 82 N 0.00 0.81 -3.71 1.61 6.94 -1.04 -4.62 115.26 115.25 1yua n ASN 82 Ca 0.00 0.16 -0.34 0.00 -0.02 0.00 0.00 54.58 54.38 1yua n ASN 82 Cb 0.00 -1.05 0.01 0.00 -2.36 0.00 0.00 39.78 36.39 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1yua n LYS 83 N 8.41 0.00 -4.88 -3.83 4.01 -1.26 -4.06 118.16 116.56 1yua n LYS 83 Ca 0.58 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 58.07 1yua n LYS 83 Cb 0.11 -0.88 -0.17 0.00 -0.51 0.00 0.00 35.03 33.59 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1yua s THR 84 N -1.76 1.90 0.06 -0.18 2.01 -1.00 -1.91 115.64 114.76 1yua s THR 84 Ca 0.48 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1yua s THR 84 Cb -0.40 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1yua s THR 84 CO 0.60 0.52 0.09 -0.32 -0.69 0.00 0.00 174.62 174.82 1yua s MET 85 N 0.62 2.98 0.17 4.92 1.75 -1.01 -2.17 119.30 126.55 1yua s MET 85 Ca -0.13 -0.62 -0.27 0.00 -1.25 0.00 0.00 55.69 53.42 1yua s MET 85 Cb -0.17 -2.79 -0.08 0.00 2.84 0.00 0.00 34.83 34.64 1yua s MET 85 CO 0.03 0.59 0.84 0.14 -0.65 0.00 0.00 175.02 175.97 1yua s VAL 86 N -1.36 4.33 0.21 10.11 -7.23 -0.95 -0.68 120.40 124.83 1yua s VAL 86 Ca 0.28 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.30 1yua s VAL 86 Cb -0.12 -4.21 -0.00 0.00 0.56 0.00 0.00 36.38 32.61 1yua s VAL 86 CO 0.21 0.48 0.01 0.54 -0.31 0.00 0.00 175.10 176.03 1yua n ARG 87 N 1.79 1.37 -3.61 4.82 5.12 0.14 -4.42 116.66 121.86 1yua n ARG 87 Ca -0.04 -1.56 -0.22 0.00 -1.93 0.00 0.00 57.85 54.11 1yua n ARG 87 Cb 0.48 0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 32.10 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 -1.85 0.01 -0.04 -1.55 5.36 -1.26 -1.46 117.98 117.19 1yua s PHE 88 Ca 0.01 0.09 -0.19 0.00 -0.96 0.00 0.00 56.93 55.88 1yua s PHE 88 Cb 0.00 -0.51 -0.05 0.00 -0.34 0.00 0.00 43.02 42.13 1yua s PHE 88 CO 0.01 -0.41 0.54 -1.12 -1.46 0.00 0.00 175.22 172.78 1yua s SER 89 N 2.21 6.87 0.12 6.13 0.01 -1.10 -4.91 113.70 123.03 1yua s SER 89 Ca 0.04 1.03 0.24 0.00 1.31 0.00 0.00 55.95 58.57 1yua s SER 89 Cb -0.14 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.02 1yua s SER 89 CO -0.08 0.10 1.25 -0.09 0.41 0.00 0.00 173.24 174.83 1yua h ARG 90 N 5.85 0.00 0.00 12.44 2.43 -1.96 0.54 114.38 133.69 1yua h ARG 90 Ca -0.45 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1yua h ARG 90 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1yua h ARG 90 CO 0.70 0.00 -0.06 0.87 -1.51 0.00 0.00 179.97 179.98 1yua h LYS 91 N 0.00 0.00 0.00 0.20 6.56 -1.99 -3.17 116.57 118.17 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 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1yua h LYS 91 CO 0.00 0.06 0.00 0.25 -2.06 0.00 0.00 179.45 177.70 1yua n THR 92 N -3.51 0.00 -3.55 -0.16 -2.24 -1.24 -5.05 114.28 98.52 1yua n THR 92 Ca -0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 1yua n THR 92 Cb 0.18 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.62 -2.03 -0.78 5.02 0.14 -4.98 118.16 113.92 1yua n LYS 93 Ca 0.00 1.09 -0.02 0.00 -2.02 0.00 0.00 58.31 57.36 1yua n LYS 93 Cb 0.48 -3.10 -0.01 0.00 -0.02 0.00 0.00 35.03 32.39 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 -1.92 0.08 -3.87 1.97 6.02 -0.96 -4.97 117.38 113.73 1yua n GLN 94 Ca -0.20 -0.40 -0.35 0.00 -0.01 0.00 0.00 57.00 56.04 1yua n GLN 94 Cb 0.64 0.37 -0.13 0.00 1.02 0.00 0.00 30.24 32.14 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 -2.13 2.39 -0.24 -1.09 -1.52 -1.26 -2.70 119.66 113.12 1yua s GLN 95 Ca 0.04 -1.33 -0.01 0.00 -1.95 0.00 0.00 55.36 52.12 1yua s GLN 95 Cb -0.00 -3.26 0.03 0.00 -0.22 0.00 0.00 33.01 29.55 1yua s GLN 95 CO 0.03 -0.68 -0.08 1.52 -0.25 0.00 0.00 175.29 175.83 1yua s TYR 96 N 1.26 3.05 0.74 0.91 -0.85 -0.54 -0.59 117.35 121.32 1yua s TYR 96 Ca -0.03 -1.60 -0.05 0.00 -0.52 0.00 0.00 57.07 54.87 1yua s TYR 96 Cb -0.20 -2.03 0.11 0.00 0.38 0.00 0.00 41.96 40.22 1yua s TYR 96 CO -0.01 -0.74 1.04 0.14 -1.52 0.00 0.00 175.55 174.45 1yua s VAL 97 N 1.31 2.20 -0.18 -3.49 -7.23 0.75 0.28 120.40 114.04 1yua s VAL 97 Ca 0.00 -0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.69 1yua s VAL 97 Cb -0.16 -2.79 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1yua s VAL 97 CO -0.05 0.00 0.40 -0.55 -0.31 0.00 0.00 175.10 174.58 1yua s SER 98 N -4.68 -0.22 -1.20 4.85 0.15 0.14 0.24 113.70 112.98 1yua s SER 98 Ca 0.65 0.92 -0.21 0.00 0.70 0.00 0.00 55.95 58.01 1yua s SER 98 Cb -0.07 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1yua s SER 98 CO 0.45 -0.23 1.85 -0.44 1.20 0.00 0.00 173.24 176.07 1yua s SER 99 N 2.38 5.73 -0.17 5.45 0.01 0.38 -2.41 113.70 125.08 1yua s SER 99 Ca -0.03 -1.88 -0.17 0.00 1.31 0.00 0.00 55.95 55.18 1yua s SER 99 Cb -0.11 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1yua s SER 99 CO -0.12 -2.33 0.46 -1.61 0.41 0.00 0.00 173.24 170.05 1yua s GLU 100 N 5.65 4.25 0.00 12.44 2.02 -0.80 -3.74 118.70 138.52 1yua s GLU 100 Ca 0.62 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.97 1yua s GLU 100 Cb 0.01 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1yua s GLU 100 CO 0.10 0.02 0.00 1.63 0.02 0.00 0.00 175.26 177.03 1yua n LYS 101 N 4.21 -0.03 0.23 1.61 5.02 -1.26 -4.07 118.16 123.87 1yua n LYS 101 Ca -0.07 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.34 1yua n LYS 101 Cb 0.51 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.16 1yua n LYS 101 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1yua h ASP 102 N -0.66 0.00 0.00 4.39 1.82 -1.97 -3.38 116.42 116.62 1yua h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1yua h ASP 102 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1yua h ASP 102 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1yua n GLY 103 N -1.24 -0.12 0.00 -0.78 0.00 -1.26 -5.04 105.19 96.75 1yua n GLY 103 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1yua n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yua n LYS 104 N 0.00 0.17 -3.09 1.61 2.85 -1.26 -5.08 118.16 113.36 1yua n LYS 104 Ca 0.00 -0.44 -0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1yua n LYS 104 Cb 0.00 -0.55 -0.00 0.00 -0.65 0.00 0.00 35.03 33.83 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 -0.03 -1.94 0.22 0.58 0.00 -1.26 -4.79 120.51 113.28 1yua n ALA 105 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.68 1yua n ALA 105 Cb 0.41 -0.74 0.48 0.00 0.00 0.00 0.00 19.45 19.59 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 3.98 0.80 0.00 0.00 1.35 -1.91 -3.46 112.91 113.66 1yua h THR 106 Ca -0.03 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1yua h THR 106 Cb 0.64 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1yua h THR 106 CO 0.01 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1yua n GLY 107 N -0.20 2.48 3.67 5.82 0.00 -1.26 -4.97 105.19 110.73 1yua n GLY 107 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.48 1.59 -0.29 1.61 -0.00 -1.26 -4.32 118.94 113.77 1yua s TRP 108 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 56.10 55.80 1yua s TRP 108 Cb 0.00 -4.19 0.12 0.00 -0.00 0.00 0.00 33.47 29.40 1yua s TRP 108 CO 0.00 -5.19 0.21 -1.54 -0.00 0.00 0.00 176.95 170.42 1yua s SER 109 N 3.86 2.67 0.40 5.86 1.04 -1.26 -0.47 113.70 125.81 1yua s SER 109 Ca 0.85 -1.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 1yua s SER 109 Cb -0.42 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1yua s SER 109 CO 0.39 -0.41 0.68 0.00 0.98 0.00 0.00 173.24 174.88 1yua s ALA 110 N 2.20 3.50 0.03 5.32 0.00 0.14 -1.82 121.76 131.13 1yua s ALA 110 Ca 0.09 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.55 1yua s ALA 110 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1yua s ALA 110 CO -0.35 -0.11 -0.17 -0.06 0.00 0.00 0.00 175.76 175.07 1yua s PHE 111 N -2.46 1.50 -0.53 0.00 0.40 -0.81 -0.18 117.98 115.91 1yua s PHE 111 Ca 0.46 -0.34 -0.21 0.00 -0.60 0.00 0.00 56.93 56.23 1yua s PHE 111 Cb -0.10 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1yua s PHE 111 CO 0.38 0.04 0.77 -0.47 0.70 0.00 0.00 175.22 176.64 1yua s TYR 112 N -0.72 2.93 0.00 0.36 5.04 0.24 0.59 117.35 125.80 1yua s TYR 112 Ca 0.05 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1yua s TYR 112 Cb -0.08 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1yua s TYR 112 CO 0.01 -1.18 0.00 0.28 -1.34 0.00 0.00 175.55 173.32 1yua n VAL 113 N 5.87 0.00 -2.00 3.14 0.31 -0.48 -4.51 118.33 120.66 1yua n VAL 113 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.04 1yua n VAL 113 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.93 -0.89 4.52 1.01 -1.26 -2.88 116.67 121.10 1yua s ASP 114 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.24 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 -3.05 0.00 0.61 0.21 0.00 0.00 175.17 172.94 1yua n GLY 115 N 6.42 -0.06 2.76 0.21 0.00 -1.26 -4.83 105.19 108.43 1yua n GLY 115 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 116 N -4.34 2.04 1.01 1.61 3.01 -1.14 -5.11 119.74 116.83 1yua s LYS 116 Ca 0.00 -3.01 -0.16 0.00 -1.01 0.00 0.00 55.97 51.79 1yua s LYS 116 Cb 0.00 -2.88 0.01 0.00 -1.01 0.00 0.00 37.83 33.95 1yua s LYS 116 CO 0.00 -1.31 -0.06 0.91 0.51 0.00 0.00 175.35 175.40 1yua n TRP 117 N 2.22 -2.04 -4.04 3.18 7.02 -1.25 -1.38 117.44 121.15 1yua n TRP 117 Ca 0.22 0.20 -0.13 0.00 -1.02 0.00 0.00 57.50 56.77 1yua n TRP 117 Cb 0.38 -1.63 -0.03 0.00 -2.42 0.00 0.00 31.31 27.61 1yua n TRP 117 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1yua s VAL 118 N -2.26 0.00 -0.23 -0.99 -7.23 0.20 -4.70 120.40 105.19 1yua s VAL 118 Ca 0.52 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1yua s VAL 118 Cb -0.15 -2.65 0.08 0.00 0.56 0.00 0.00 36.38 34.21 1yua s VAL 118 CO 0.69 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.95 1yua s GLU 119 N -2.99 0.49 -0.58 4.82 8.01 -1.26 -1.92 118.70 125.26 1yua s GLU 119 Ca 0.27 -0.53 0.00 0.00 0.01 0.00 0.00 54.97 54.72 1yua s GLU 119 Cb -0.01 -1.86 0.47 0.00 -4.31 0.00 0.00 34.13 28.41 1yua s GLU 119 CO 0.18 -0.79 1.88 0.41 0.01 0.00 0.00 175.26 176.95 1yua n GLY 120 N 5.08 5.86 3.42 -1.39 0.00 -0.76 -4.98 105.19 112.42 1yua n GLY 120 Ca -0.07 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.90 -2.11 0.00 1.61 2.85 -1.26 -4.72 118.16 113.62 1yua n LYS 121 Ca 0.59 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yua n LYS 121 Cb 0.78 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1yua n LYS 121 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71