#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8d n GLY 2 N 0.00 0.68 1.58 0.23 0.00 -1.26 -4.95 105.19 101.47 1t8d n GLY 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1t8d n GLY 2 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t8d n PHE 3 N -1.56 1.61 -1.96 1.61 3.72 -1.26 -4.87 117.46 114.75 1t8d n PHE 3 Ca 0.00 -0.68 -0.41 0.00 -0.05 0.00 0.00 57.45 56.31 1t8d n PHE 3 Cb 0.00 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 1t8d n PHE 3 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1t8d s VAL 4 N -2.27 2.44 0.06 -4.37 1.01 -1.26 -4.93 120.40 111.08 1t8d s VAL 4 Ca 0.50 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 1t8d s VAL 4 Cb 0.36 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1t8d s VAL 4 CO 0.19 0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.58 1t8d n ASN 6 N 0.39 -3.67 0.00 0.00 3.02 -1.26 -4.91 115.26 108.83 1t8d n ASN 6 Ca -0.17 -0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.35 1t8d n ASN 6 Cb 0.60 -2.20 0.37 0.00 -0.61 0.00 0.00 39.78 37.95 1t8d n ASN 6 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1t8d n THR 7 N -1.53 0.00 -3.76 3.41 5.66 -1.26 -4.15 114.28 112.66 1t8d n THR 7 Ca -0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.70 1t8d n THR 7 Cb 0.51 -0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 68.76 1t8d n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8d n PRO 9 N 1.74 0.00 0.00 0.00 -0.04 -1.26 -4.58 135.00 130.87 1t8d n PRO 9 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1t8d n PRO 9 Cb 0.36 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1t8d n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t8d n GLU 10 N 0.00 0.00 0.00 0.54 4.07 -1.26 -4.70 120.64 119.29 1t8d n GLU 10 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1t8d n GLU 10 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1t8d n GLU 10 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1t8d n LYS 11 N 0.00 0.00 0.00 5.31 4.01 -1.26 -4.69 118.16 121.53 1t8d n LYS 11 Ca 0.00 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 1t8d n LYS 11 Cb 0.00 -1.11 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1t8d n LYS 11 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1t8d n TRP 12 N -1.18 0.00 -3.88 2.13 7.02 -1.24 -4.55 117.44 115.74 1t8d n TRP 12 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 1t8d n TRP 12 Cb 0.00 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 28.72 1t8d n TRP 12 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1t8d s ILE 13 N 0.00 0.27 0.09 -0.99 1.01 0.38 -4.01 121.20 117.95 1t8d s ILE 13 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1t8d s ILE 13 Cb 0.00 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1t8d s ILE 13 CO 0.00 0.20 0.15 0.21 0.00 0.00 0.00 174.94 175.50 1t8d s ASN 14 N 1.47 5.87 0.00 3.58 3.84 -1.26 0.64 114.94 129.07 1t8d s ASN 14 Ca -0.03 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1t8d s ASN 14 Cb -0.13 -1.67 0.00 0.00 -0.55 0.00 0.00 41.25 38.90 1t8d s ASN 14 CO -0.03 0.14 0.00 0.49 -2.79 0.00 0.00 177.10 174.92 1t8d n PHE 15 N 0.19 0.00 -0.19 0.43 3.72 0.10 -4.96 117.46 116.75 1t8d n PHE 15 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.31 1t8d n PHE 15 Cb 0.52 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.15 1t8d n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8d h GLN 16 N 0.00 0.41 0.00 -1.08 3.07 -2.04 -3.40 115.11 112.06 1t8d h GLN 16 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1t8d h GLN 16 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1t8d h GLN 16 CO 0.00 0.27 0.00 -2.13 0.09 0.00 0.00 178.83 177.06 1t8d n ARG 17 N -4.98 0.00 -4.30 0.06 0.00 -1.26 -5.12 116.66 101.07 1t8d n ARG 17 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.68 1t8d n ARG 17 Cb 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.61 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1t8d s LYS 18 N 0.00 2.17 0.05 -0.14 -2.85 -1.26 -3.07 119.74 114.64 1t8d s LYS 18 Ca 0.00 -1.37 0.02 0.00 -1.00 0.00 0.00 55.97 53.62 1t8d s LYS 18 Cb 0.00 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.60 1t8d s LYS 18 CO 0.00 0.39 -0.08 0.00 0.10 0.00 0.00 175.35 175.77 1t8d s TYR 20 N -1.53 1.98 -0.33 0.00 1.51 0.21 -0.54 117.35 118.64 1t8d s TYR 20 Ca -0.09 -1.10 -0.08 0.00 -1.01 0.00 0.00 57.07 54.79 1t8d s TYR 20 Cb -0.09 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1t8d s TYR 20 CO 0.00 -0.63 0.13 1.52 -1.11 0.00 0.00 175.55 175.46 1t8d s TYR 21 N 1.55 3.22 -1.22 2.71 1.13 0.01 0.14 117.35 124.89 1t8d s TYR 21 Ca 0.05 -1.12 -0.06 0.00 -1.41 0.00 0.00 57.07 54.52 1t8d s TYR 21 Cb -0.13 -2.32 0.20 0.00 -1.10 0.00 0.00 41.96 38.61 1t8d s TYR 21 CO -0.10 -0.65 1.90 1.19 -2.51 0.00 0.00 175.55 175.39 1t8d n PHE 22 N 4.89 2.67 -2.06 -3.49 3.72 -1.26 -2.34 117.46 119.59 1t8d n PHE 22 Ca -0.13 -2.72 -0.28 0.00 -0.05 0.00 0.00 57.45 54.27 1t8d n PHE 22 Cb 0.46 -1.70 0.15 0.00 -0.94 0.00 0.00 39.48 37.46 1t8d n PHE 22 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1t8d s GLY 23 N -0.06 1.75 -0.02 1.37 0.00 0.19 -4.72 107.32 105.83 1t8d s GLY 23 Ca 0.41 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1t8d s GLY 23 CO -0.01 -0.53 -0.07 -1.59 0.00 0.00 0.00 173.10 170.91 1t8d s LYS 24 N -5.68 0.66 0.00 2.90 -2.85 -1.26 0.31 119.74 113.82 1t8d s LYS 24 Ca 0.70 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 1t8d s LYS 24 Cb -0.05 -0.64 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 1t8d s LYS 24 CO 0.50 0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.46 1t8d n GLY 25 N 3.18 0.34 0.00 0.59 0.00 0.23 -4.78 105.19 104.76 1t8d n GLY 25 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t8d n THR 26 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.80 114.28 108.59 1t8d n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t8d n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1t8d n THR 26 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1t8d n LYS 27 N 0.00 0.03 -3.84 -0.78 5.02 -1.26 -4.89 118.16 112.44 1t8d n LYS 27 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1t8d n LYS 27 Cb 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1t8d s GLN 28 N -0.01 1.82 0.03 1.97 -0.21 -1.26 -4.82 119.66 117.18 1t8d s GLN 28 Ca 0.00 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 53.98 1t8d s GLN 28 Cb 0.00 0.51 -0.16 0.00 1.00 0.00 0.00 33.01 34.36 1t8d s GLN 28 CO 0.00 -0.85 1.45 2.35 -2.12 0.00 0.00 175.29 176.12 1t8d h TRP 29 N 2.00 0.12 -0.60 0.91 7.01 -1.99 -2.77 115.95 120.63 1t8d h TRP 29 Ca -0.30 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 60.82 1t8d h TRP 29 Cb 1.24 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.23 1t8d h TRP 29 CO 1.33 0.39 0.42 -0.39 -2.79 0.00 0.00 178.44 177.41 1t8d h VAL 30 N -0.19 0.77 0.00 2.65 -1.51 -1.98 0.38 116.25 116.37 1t8d h VAL 30 Ca 0.02 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.32 1t8d h VAL 30 Cb 0.35 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 30.07 1t8d h VAL 30 CO 0.00 0.03 -0.52 0.45 -1.23 0.00 0.00 177.57 176.31 1t8d h HIS 31 N 0.18 0.00 -0.02 5.19 3.86 -1.91 -2.30 115.15 120.15 1t8d h HIS 31 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1t8d h HIS 31 Cb 0.90 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 1t8d h HIS 31 CO -0.00 0.52 -0.04 0.00 0.86 0.00 0.00 177.93 179.27 1t8d h ALA 32 N 1.48 0.04 -0.68 2.45 0.00 0.02 -2.08 119.26 120.49 1t8d h ALA 32 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.99 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1t8d h ALA 32 CO 0.07 -0.16 0.37 0.07 0.00 0.00 0.00 179.25 179.60 1t8d h ARG 33 N -0.45 0.93 -0.44 0.00 0.11 -1.41 -1.28 114.38 111.84 1t8d h ARG 33 Ca 0.00 -0.10 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1t8d h ARG 33 Cb 0.59 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1t8d h ARG 33 CO 0.01 0.69 0.03 1.88 0.10 0.00 0.00 179.97 182.68 1t8d h TYR 34 N 0.94 0.73 -0.62 4.08 0.05 -1.39 -2.19 116.97 118.57 1t8d h TYR 34 Ca 0.24 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 1t8d h TYR 34 Cb 0.03 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1t8d h TYR 34 CO 0.01 0.67 0.22 0.00 -1.05 0.00 0.00 178.16 178.01 1t8d h ALA 35 N 1.38 0.81 -0.12 3.88 0.00 -0.52 -2.25 119.26 122.44 1t8d h ALA 35 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1t8d h ALA 35 Cb 0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1t8d h ALA 35 CO 0.01 0.45 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 1t8d h ASP 37 N -0.12 0.00 0.51 0.00 3.58 -1.14 0.42 116.42 119.67 1t8d h ASP 37 Ca 0.08 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1t8d h ASP 37 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1t8d h ASP 37 CO -0.19 0.00 -0.46 0.44 -2.88 0.00 0.00 179.24 176.14 1t8d h ASP 38 N 0.00 0.00 -0.03 2.28 5.19 -0.48 -2.69 116.42 120.69 1t8d h ASP 38 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1t8d h ASP 38 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1t8d h ASP 38 CO -0.00 0.46 -0.03 0.23 -3.12 0.00 0.00 179.24 176.78 1t8d n MET 39 N -3.92 1.91 -2.75 3.56 2.81 0.49 -4.97 117.12 114.26 1t8d n MET 39 Ca -0.01 -1.70 -0.14 0.00 -1.81 0.00 0.00 57.70 54.03 1t8d n MET 39 Cb 0.49 -1.41 0.02 0.00 -0.71 0.00 0.00 33.22 31.62 1t8d n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1t8d n GLU 40 N 1.10 -3.14 0.00 0.03 1.02 0.12 -4.95 120.64 114.82 1t8d n GLU 40 Ca 0.12 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1t8d n GLU 40 Cb 0.52 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.23 1t8d n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t8d n GLY 41 N -1.24 1.38 3.43 0.62 0.00 -0.20 -4.76 105.19 104.42 1t8d n GLY 41 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1t8d n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t8d s GLN 42 N 3.91 1.25 -0.37 1.61 0.74 0.27 -4.70 119.66 122.36 1t8d s GLN 42 Ca 0.00 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 1t8d s GLN 42 Cb 0.00 0.58 0.01 0.00 1.10 0.00 0.00 33.01 34.70 1t8d s GLN 42 CO 0.00 -0.53 1.30 -1.17 -0.55 0.00 0.00 175.29 174.33 1t8d s LEU 43 N -2.61 3.73 0.00 3.68 2.96 -1.26 0.02 118.68 125.20 1t8d s LEU 43 Ca -0.00 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1t8d s LEU 43 Cb -0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1t8d s LEU 43 CO -0.11 -1.23 0.00 1.33 -1.32 0.00 0.00 176.35 175.02 1t8d n VAL 44 N 6.62 0.00 -2.90 1.68 0.24 -1.24 -3.04 118.33 119.68 1t8d n VAL 44 Ca 0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.33 1t8d n VAL 44 Cb 0.48 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.90 1t8d n VAL 44 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1t8d n SER 45 N -0.18 -3.46 -4.62 -1.34 2.88 -1.26 -4.64 113.62 100.99 1t8d n SER 45 Ca 0.00 -0.47 -0.44 0.00 -1.33 0.00 0.00 58.87 56.63 1t8d n SER 45 Cb 0.00 -3.82 -0.01 0.00 -0.75 0.00 0.00 64.21 59.63 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1t8d n ILE 46 N -3.01 1.94 -0.38 2.46 -0.00 -1.26 -4.84 119.36 114.27 1t8d n ILE 46 Ca -0.14 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.13 1t8d n ILE 46 Cb 0.61 -1.17 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 1t8d n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t8d n HIS 47 N 0.33 0.00 -4.41 4.28 1.44 -1.26 -4.89 115.22 110.72 1t8d n HIS 47 Ca 0.08 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.46 1t8d n HIS 47 Cb 0.33 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 1t8d n HIS 47 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t8d s SER 48 N -0.14 3.36 0.56 4.39 0.15 -1.26 -4.81 113.70 115.95 1t8d s SER 48 Ca 0.00 -0.56 0.37 0.00 0.70 0.00 0.00 55.95 56.46 1t8d s SER 48 Cb 0.00 -1.51 1.52 0.00 -1.71 0.00 0.00 66.02 64.32 1t8d s SER 48 CO 0.00 0.05 1.74 -0.65 1.20 0.00 0.00 173.24 175.58 1t8d h PRO 49 N 7.57 0.00 -0.06 5.44 0.11 -1.99 0.48 132.00 143.55 1t8d h PRO 49 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 1t8d h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t8d h PRO 49 CO 0.59 0.00 -0.28 1.49 -0.21 0.00 0.00 178.00 179.58 1t8d h GLU 50 N 0.00 0.30 -0.26 1.05 4.81 -1.98 -2.30 114.58 116.20 1t8d h GLU 50 Ca 0.58 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1t8d h GLU 50 Cb 2.43 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.85 1t8d h GLU 50 CO -0.01 0.88 0.11 0.93 -0.73 0.00 0.00 179.01 180.19 1t8d h GLU 51 N -0.21 0.38 -0.91 1.92 4.39 -0.53 0.77 114.58 120.39 1t8d h GLU 51 Ca -0.02 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1t8d h GLU 51 Cb 0.94 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1t8d h GLU 51 CO 0.06 0.41 0.59 -0.56 -1.16 0.00 0.00 179.01 178.35 1t8d h GLN 52 N 0.27 1.09 -0.16 2.33 -0.00 -1.18 0.16 115.11 117.62 1t8d h GLN 52 Ca 0.09 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.54 1t8d h GLN 52 Cb 0.17 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.48 27.39 1t8d h GLN 52 CO -0.01 0.72 -0.47 0.22 -0.00 0.00 0.00 178.83 179.29 1t8d h ASP 53 N 1.12 0.45 0.17 0.06 3.58 -1.02 0.68 116.42 121.47 1t8d h ASP 53 Ca 0.37 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1t8d h ASP 53 Cb 0.05 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1t8d h ASP 53 CO -0.13 0.86 -0.10 -0.26 -2.88 0.00 0.00 179.24 176.72 1t8d h PHE 54 N 0.33 -0.27 -0.02 0.28 -1.00 0.24 0.19 116.94 116.70 1t8d h PHE 54 Ca 0.02 -0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.62 1t8d h PHE 54 Cb 0.96 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1t8d h PHE 54 CO 0.03 -0.17 -0.77 1.37 -1.61 0.00 0.00 178.31 177.16 1t8d h LEU 55 N -0.27 0.22 -0.75 1.54 8.10 -1.13 -1.83 115.31 121.19 1t8d h LEU 55 Ca -0.02 -0.16 0.01 0.00 0.11 0.00 0.00 57.88 57.82 1t8d h LEU 55 Cb 0.22 -0.06 -0.04 0.00 -0.44 0.00 0.00 40.66 40.34 1t8d h LEU 55 CO 0.02 0.90 0.49 0.74 -4.11 0.00 0.00 178.44 176.48 1t8d h THR 56 N 0.11 1.20 -0.07 0.15 2.02 -0.53 0.92 112.91 116.71 1t8d h THR 56 Ca -0.03 -0.37 -0.19 0.00 0.77 0.00 0.00 66.41 66.59 1t8d h THR 56 Cb 1.35 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1t8d h THR 56 CO 0.11 0.19 -0.76 0.50 0.37 0.00 0.00 175.52 175.94 1t8d h LYS 57 N 1.02 0.42 0.00 6.66 1.63 -0.58 -2.95 116.57 122.77 1t8d h LYS 57 Ca 0.28 -0.36 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 1t8d h LYS 57 Cb -0.11 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1t8d h LYS 57 CO -0.06 1.00 -0.35 1.25 -3.45 0.00 0.00 179.45 177.84 1t8d h HIS 58 N 0.28 0.00 -2.79 1.91 2.76 -0.50 -3.44 115.15 113.37 1t8d h HIS 58 Ca -0.04 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.55 1t8d h HIS 58 Cb 1.35 0.00 0.09 0.00 1.55 0.00 0.00 27.41 30.40 1t8d h HIS 58 CO 0.05 0.35 0.53 0.00 -1.30 0.00 0.00 177.93 177.56 1t8d n ALA 59 N -2.34 0.96 -0.97 5.26 0.00 0.31 -4.95 120.51 118.78 1t8d n ALA 59 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1t8d n ALA 59 Cb 0.45 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1t8d n ALA 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t8d n SER 60 N 1.72 0.00 0.00 0.00 3.41 -1.26 -4.92 113.62 112.57 1t8d n SER 60 Ca 0.10 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1t8d n SER 60 Cb 0.32 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1t8d n SER 60 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1t8d n HIS 61 N -0.56 -0.30 -0.06 7.33 -0.00 -1.26 -4.92 115.22 115.44 1t8d n HIS 61 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1t8d n HIS 61 Cb 0.00 0.17 -0.04 0.00 -0.12 0.00 0.00 29.99 29.99 1t8d n HIS 61 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1t8d h THR 62 N 0.00 1.18 0.00 3.57 1.35 -1.92 -3.41 112.91 113.68 1t8d h THR 62 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1t8d h THR 62 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1t8d h THR 62 CO 0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1t8d n GLY 63 N -0.64 0.89 3.18 5.82 0.00 -1.26 -4.65 105.19 108.53 1t8d n GLY 63 Ca -0.04 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1t8d n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8d s SER 64 N -4.00 1.29 -0.16 1.61 1.04 -1.21 -3.80 113.70 108.47 1t8d s SER 64 Ca 0.00 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.41 1t8d s SER 64 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1t8d s SER 64 CO 0.00 -0.40 0.04 0.26 0.98 0.00 0.00 173.24 174.13 1t8d s TRP 65 N -3.28 3.23 0.38 5.02 0.51 -1.23 -2.82 118.94 120.74 1t8d s TRP 65 Ca 0.11 0.07 0.08 0.00 -2.12 0.00 0.00 56.10 54.23 1t8d s TRP 65 Cb 0.03 -2.01 -0.04 0.00 -0.81 0.00 0.00 33.47 30.64 1t8d s TRP 65 CO -0.03 0.21 0.23 0.96 -0.51 0.00 0.00 176.95 177.81 1t8d s ILE 66 N 0.09 2.82 -0.53 2.03 -4.36 -1.24 -4.20 121.20 115.82 1t8d s ILE 66 Ca 0.04 -1.57 -0.06 0.00 -0.26 0.00 0.00 60.65 58.80 1t8d s ILE 66 Cb -0.12 -3.01 -0.15 0.00 1.25 0.00 0.00 42.46 40.42 1t8d s ILE 66 CO 0.01 -0.09 2.78 0.61 0.24 0.00 0.00 174.94 178.49 1t8d n GLY 67 N -1.30 3.03 3.09 6.27 0.00 -1.17 -4.68 105.19 110.44 1t8d n GLY 67 Ca -0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1t8d n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t8d s LEU 68 N 0.06 1.81 -0.05 0.99 1.98 -1.26 -1.73 118.68 120.48 1t8d s LEU 68 Ca 0.54 -0.44 -0.02 0.00 -2.89 0.00 0.00 54.13 51.32 1t8d s LEU 68 Cb 0.21 -1.12 0.03 0.00 0.66 0.00 0.00 46.19 45.96 1t8d s LEU 68 CO -0.02 0.05 0.04 -0.60 -1.89 0.00 0.00 176.35 173.93 1t8d s ARG 69 N 0.78 0.12 0.17 1.98 6.06 0.14 -3.65 118.95 124.55 1t8d s ARG 69 Ca -0.11 0.28 -0.07 0.00 -2.50 0.00 0.00 55.73 53.34 1t8d s ARG 69 Cb -0.16 -0.62 -0.06 0.00 0.06 0.00 0.00 34.95 34.17 1t8d s ARG 69 CO 0.02 -0.30 0.44 1.21 -2.50 0.00 0.00 175.30 174.16 1t8d s ASN 70 N 2.00 6.55 0.00 -2.12 3.84 -0.98 -0.51 114.94 123.73 1t8d s ASN 70 Ca 0.03 0.72 0.00 0.00 0.21 0.00 0.00 52.86 53.82 1t8d s ASN 70 Cb -0.12 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1t8d s ASN 70 CO -0.04 0.02 0.10 0.18 -2.79 0.00 0.00 177.10 174.58 1t8d n LEU 71 N 0.08 1.09 -4.86 3.21 4.77 -1.06 -4.63 117.00 115.60 1t8d n LEU 71 Ca -0.02 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1t8d n LEU 71 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1t8d n LEU 71 CO 0.47 0.00 -0.06 -1.81 -1.33 0.00 0.00 177.39 174.66 1t8d s ASP 72 N -1.36 5.28 0.28 -1.43 1.01 -1.26 -4.91 116.67 114.28 1t8d s ASP 72 Ca 0.00 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1t8d s ASP 72 Cb 0.00 -0.91 0.62 0.00 1.01 0.00 0.00 42.92 43.64 1t8d s ASP 72 CO 0.00 -0.41 1.78 -0.07 0.21 0.00 0.00 175.17 176.68 1t8d h LEU 73 N 1.19 0.70 -2.09 1.23 3.38 -1.93 0.51 115.31 118.30 1t8d h LEU 73 Ca -0.44 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1t8d h LEU 73 Cb 1.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1t8d h LEU 73 CO 0.58 0.28 0.00 2.29 0.09 0.00 0.00 178.44 181.68 1t8d n LYS 74 N -4.79 2.25 0.00 1.13 2.85 -1.26 -4.95 118.16 113.39 1t8d n LYS 74 Ca 0.20 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.44 1t8d n LYS 74 Cb 0.48 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1t8d n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t8d n GLY 75 N 1.32 -0.57 3.31 2.58 0.00 0.17 -5.08 105.19 106.92 1t8d n GLY 75 Ca 0.16 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1t8d n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 76 N 0.00 1.18 -0.22 1.61 2.02 -1.26 -4.87 118.70 117.17 1t8d s GLU 76 Ca 0.00 -1.23 -0.28 0.00 0.02 0.00 0.00 54.97 53.49 1t8d s GLU 76 Cb 0.00 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1t8d s GLU 76 CO 0.00 0.33 0.97 -0.06 0.02 0.00 0.00 175.26 176.52 1t8d s PHE 77 N -1.29 3.35 -0.01 1.61 0.08 -1.26 -2.56 117.98 117.91 1t8d s PHE 77 Ca 0.09 1.39 0.05 0.00 0.12 0.00 0.00 56.93 58.58 1t8d s PHE 77 Cb -0.09 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1t8d s PHE 77 CO 0.05 -0.42 -0.16 0.42 -0.10 0.00 0.00 175.22 175.01 1t8d s ILE 78 N 2.94 2.95 0.49 0.64 1.01 0.34 -2.67 121.20 126.90 1t8d s ILE 78 Ca 0.42 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 1t8d s ILE 78 Cb -0.15 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.04 1t8d s ILE 78 CO 0.08 0.48 1.07 0.26 0.00 0.00 0.00 174.94 176.82 1t8d s TRP 79 N -0.82 2.93 0.55 3.97 0.52 -1.26 0.24 118.94 125.07 1t8d s TRP 79 Ca 0.13 1.57 0.22 0.00 0.02 0.00 0.00 56.10 58.05 1t8d s TRP 79 Cb -0.11 -3.15 1.47 0.00 -1.15 0.00 0.00 33.47 30.54 1t8d s TRP 79 CO 0.03 -1.05 2.15 -0.24 0.02 0.00 0.00 176.95 177.86 1t8d h VAL 80 N 1.55 0.77 -0.16 4.03 3.04 -1.67 0.33 116.25 124.14 1t8d h VAL 80 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1t8d h VAL 80 Cb 1.23 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1t8d h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8d n ASP 81 N -4.25 0.96 -3.26 3.17 2.03 -1.26 -4.88 116.55 109.07 1t8d n ASP 81 Ca -0.01 -2.01 -0.19 0.00 0.52 0.00 0.00 54.79 53.10 1t8d n ASP 81 Cb 0.20 -0.14 0.08 0.00 -0.72 0.00 0.00 41.12 40.53 1t8d n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t8d n GLY 82 N 0.72 -0.36 0.02 0.27 0.00 0.12 -4.91 105.19 101.04 1t8d n GLY 82 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1t8d n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t8d n SER 83 N -2.70 0.30 -1.29 1.61 2.88 -1.25 -4.93 113.62 108.24 1t8d n SER 83 Ca -0.09 -0.65 0.16 0.00 -1.33 0.00 0.00 58.87 56.96 1t8d n SER 83 Cb 0.59 0.86 -0.08 0.00 -0.75 0.00 0.00 64.21 64.83 1t8d n SER 83 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1t8d n HIS 84 N -0.89 -3.44 -1.85 0.66 -0.00 -1.26 -4.77 115.22 103.67 1t8d n HIS 84 Ca 0.01 1.89 -0.37 0.00 0.46 0.00 0.00 57.72 59.71 1t8d n HIS 84 Cb 0.05 -3.13 0.05 0.00 -0.12 0.00 0.00 29.99 26.84 1t8d n HIS 84 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1t8d s VAL 85 N -3.97 2.25 -0.01 3.57 1.01 -1.09 -4.37 120.40 117.79 1t8d s VAL 85 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1t8d s VAL 85 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1t8d s VAL 85 CO 0.00 -0.03 -0.01 0.47 0.00 0.00 0.00 175.10 175.53 1t8d n ASP 86 N -1.72 4.14 0.00 3.32 8.00 -1.26 -4.92 116.55 124.11 1t8d n ASP 86 Ca 0.15 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1t8d n ASP 86 Cb 0.48 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1t8d n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t8d n TYR 87 N -2.40 0.00 -1.58 1.24 4.02 -1.26 -5.16 117.16 112.02 1t8d n TYR 87 Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1t8d n TYR 87 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.84 1t8d n TYR 87 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1t8d n SER 88 N -1.59 -8.50 0.00 7.72 3.41 -1.26 -4.98 113.62 108.42 1t8d n SER 88 Ca 0.00 1.88 0.00 0.00 -0.26 0.00 0.00 58.87 60.49 1t8d n SER 88 Cb 0.23 -5.12 0.00 0.00 -0.26 0.00 0.00 64.21 59.06 1t8d n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1t8d n ASN 89 N -2.72 0.01 -4.39 4.04 3.02 -1.26 -5.06 115.26 108.91 1t8d n ASN 89 Ca -0.01 -0.14 -0.50 0.00 -0.03 0.00 0.00 54.58 53.90 1t8d n ASN 89 Cb 0.50 0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.70 1t8d n ASN 89 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1t8d n TRP 90 N -0.15 1.01 -1.49 3.10 4.27 -1.25 -3.56 117.44 119.37 1t8d n TRP 90 Ca 0.00 0.52 -0.48 0.00 -3.89 0.00 0.00 57.50 53.65 1t8d n TRP 90 Cb 0.01 -2.38 -0.03 0.00 -1.36 0.00 0.00 31.31 27.56 1t8d n TRP 90 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1t8d n ALA 91 N 9.42 -1.87 0.51 -1.67 0.00 0.52 -4.86 120.51 122.57 1t8d n ALA 91 Ca 0.56 0.44 0.13 0.00 0.00 0.00 0.00 53.44 54.57 1t8d n ALA 91 Cb 0.06 -1.79 0.44 0.00 0.00 0.00 0.00 19.45 18.15 1t8d n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t8d h PRO 92 N 1.69 0.00 -0.61 0.00 0.13 -1.92 -3.11 132.00 128.18 1t8d h PRO 92 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1t8d h PRO 92 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1t8d h PRO 92 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 1t8d n GLY 93 N 0.75 1.24 2.72 1.56 0.00 -1.26 -4.46 105.19 105.75 1t8d n GLY 93 Ca 0.04 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1t8d n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8d n GLU 94 N 0.21 1.76 -1.63 1.61 -0.58 -1.18 -5.08 120.64 115.76 1t8d n GLU 94 Ca 0.09 -4.34 -0.47 0.00 -0.42 0.00 0.00 57.16 52.02 1t8d n GLU 94 Cb 0.42 -2.18 -0.04 0.00 -0.57 0.00 0.00 31.44 29.07 1t8d n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1t8d n PRO 95 N 1.80 2.08 -2.15 3.49 -0.02 -1.26 -4.89 135.00 134.05 1t8d n PRO 95 Ca 0.23 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 1t8d n PRO 95 Cb 0.38 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 1t8d n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t8d s THR 96 N 5.51 3.37 0.42 3.45 2.01 -1.26 -5.02 115.64 124.12 1t8d s THR 96 Ca 0.96 0.91 -0.06 0.00 0.31 0.00 0.00 61.69 63.81 1t8d s THR 96 Cb -0.60 -3.58 0.10 0.00 0.01 0.00 0.00 72.50 68.42 1t8d s THR 96 CO 0.46 0.04 0.58 -1.20 -0.69 0.00 0.00 174.62 173.81 1t8d n SER 97 N 4.58 0.14 -4.09 3.53 7.64 -1.26 -5.05 113.62 119.11 1t8d n SER 97 Ca 0.13 -1.26 -0.35 0.00 1.01 0.00 0.00 58.87 58.39 1t8d n SER 97 Cb 0.42 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 63.07 1t8d n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d s ARG 98 N -4.20 1.96 -0.13 1.43 1.70 -1.26 -5.03 118.95 113.41 1t8d s ARG 98 Ca 0.33 -1.94 -0.29 0.00 -0.47 0.00 0.00 55.73 53.36 1t8d s ARG 98 Cb -0.01 -3.51 0.08 0.00 -0.57 0.00 0.00 34.95 30.94 1t8d s ARG 98 CO 0.23 -1.06 0.75 -1.54 -1.08 0.00 0.00 175.30 172.60 1t8d s SER 99 N 1.43 -0.63 0.43 -2.89 1.04 -1.26 -5.15 113.70 106.67 1t8d s SER 99 Ca 0.10 0.86 -0.25 0.00 0.48 0.00 0.00 55.95 57.14 1t8d s SER 99 Cb -0.22 0.75 -0.08 0.00 0.10 0.00 0.00 66.02 66.57 1t8d s SER 99 CO -0.05 -0.46 1.31 -1.58 0.98 0.00 0.00 173.24 173.44 1t8d s GLN 100 N -0.72 3.82 0.00 4.02 0.74 -1.26 -4.90 119.66 121.36 1t8d s GLN 100 Ca -0.06 2.16 0.00 0.00 0.05 0.00 0.00 55.36 57.51 1t8d s GLN 100 Cb -0.02 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.44 1t8d s GLN 100 CO 0.06 -0.62 0.00 0.41 -0.55 0.00 0.00 175.29 174.59 1t8d n GLY 101 N 0.64 2.08 0.00 2.59 0.00 -1.26 -4.99 105.19 104.25 1t8d n GLY 101 Ca 0.05 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.37 1t8d n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8d n GLU 102 N 0.00 0.09 -2.63 1.61 4.71 -0.23 -4.98 120.64 119.21 1t8d n GLU 102 Ca 0.00 -0.02 -0.05 0.00 -0.01 0.00 0.00 57.16 57.08 1t8d n GLU 102 Cb 0.00 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 28.88 1t8d n GLU 102 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1t8d n ASP 103 N -1.62 -2.01 -3.58 1.62 8.00 -1.22 -4.59 116.55 113.16 1t8d n ASP 103 Ca 0.03 1.38 -0.11 0.00 0.71 0.00 0.00 54.79 56.80 1t8d n ASP 103 Cb 0.36 -5.32 -0.04 0.00 -0.02 0.00 0.00 41.12 36.11 1t8d n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t8d s VAL 105 N -3.79 2.65 0.26 0.00 1.01 -1.24 -2.53 120.40 116.76 1t8d s VAL 105 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1t8d s VAL 105 Cb 0.01 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1t8d s VAL 105 CO -0.12 0.58 0.09 0.00 0.00 0.00 0.00 175.10 175.65 1t8d s MET 106 N -0.48 1.43 -0.09 2.72 0.23 -1.03 -3.61 119.30 118.47 1t8d s MET 106 Ca 0.06 -1.77 0.04 0.00 -1.03 0.00 0.00 55.69 52.99 1t8d s MET 106 Cb -0.12 -0.32 0.00 0.00 -1.53 0.00 0.00 34.83 32.87 1t8d s MET 106 CO 0.01 -0.28 -0.22 0.00 -2.03 0.00 0.00 175.02 172.51 1t8d s MET 107 N -4.02 2.68 0.00 3.16 0.23 -1.13 0.64 119.30 120.86 1t8d s MET 107 Ca 0.37 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 1t8d s MET 107 Cb 0.08 -2.08 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1t8d s MET 107 CO 0.14 0.18 0.00 0.54 -2.03 0.00 0.00 175.02 173.84 1t8d n ARG 108 N 3.49 1.17 0.00 3.16 1.74 -1.16 -3.30 116.66 121.76 1t8d n ARG 108 Ca -0.19 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.04 1t8d n ARG 108 Cb 0.53 0.00 0.83 0.00 -1.02 0.00 0.00 32.46 32.79 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t8d n GLY 109 N 5.00 -1.08 0.29 -0.13 0.00 -1.26 -3.60 105.19 104.40 1t8d n GLY 109 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1t8d n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t8d h SER 110 N 0.12 0.91 0.00 1.61 0.02 -1.96 -3.47 113.55 110.78 1t8d h SER 110 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1t8d h SER 110 Cb 0.17 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1t8d h SER 110 CO 0.00 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1t8d n GLY 111 N -0.44 1.15 0.00 -3.77 0.00 -1.24 -5.11 105.19 95.78 1t8d n GLY 111 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1t8d n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8d n ARG 112 N 0.00 0.03 -4.04 1.61 -4.01 -1.26 -4.67 116.66 104.32 1t8d n ARG 112 Ca 0.00 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 1t8d n ARG 112 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 1t8d n ARG 112 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1t8d s TRP 113 N -0.22 2.94 -0.06 2.89 0.51 -1.23 -2.97 118.94 120.79 1t8d s TRP 113 Ca 0.00 -0.22 -0.02 0.00 -2.12 0.00 0.00 56.10 53.74 1t8d s TRP 113 Cb 0.00 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.16 1t8d s TRP 113 CO 0.00 0.40 0.05 -0.80 -0.51 0.00 0.00 176.95 176.09 1t8d s ASN 114 N -3.87 1.36 -0.12 2.95 0.01 0.21 -0.35 114.94 115.12 1t8d s ASN 114 Ca 0.36 -0.02 -0.24 0.00 -0.71 0.00 0.00 52.86 52.25 1t8d s ASN 114 Cb -0.06 -0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 1t8d s ASN 114 CO 0.25 -0.24 0.74 -0.62 -1.51 0.00 0.00 177.10 175.71 1t8d s ASP 115 N 2.12 6.94 0.14 -1.22 2.15 -1.26 -2.47 116.67 123.06 1t8d s ASP 115 Ca 0.05 1.14 -0.13 0.00 0.43 0.00 0.00 52.55 54.04 1t8d s ASP 115 Cb -0.12 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1t8d s ASP 115 CO -0.04 -0.24 0.34 0.00 -0.17 0.00 0.00 175.17 175.06 1t8d s ALA 116 N 1.43 -0.52 0.00 3.66 0.00 -1.05 -4.82 121.76 120.45 1t8d s ALA 116 Ca 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1t8d s ALA 116 Cb -0.17 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1t8d s ALA 116 CO 0.15 -0.64 0.66 1.97 0.00 0.00 0.00 175.76 177.91 1t8d n PHE 117 N -0.20 0.00 -1.44 0.00 1.16 -1.26 -1.72 117.46 114.00 1t8d n PHE 117 Ca -0.13 -0.33 -0.14 0.00 -1.87 0.00 0.00 57.45 54.98 1t8d n PHE 117 Cb 0.63 -0.20 -0.06 0.00 -1.61 0.00 0.00 39.48 38.24 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1t8d n ASP 119 N -0.31 7.29 0.00 0.00 9.92 -1.26 -4.81 116.55 127.38 1t8d n ASP 119 Ca -0.14 -3.63 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 1t8d n ASP 119 Cb 0.47 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1t8d n ASP 119 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1t8d n ARG 120 N -0.32 3.28 -2.70 -1.24 5.12 -1.26 -5.13 116.66 114.40 1t8d n ARG 120 Ca 0.53 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.42 1t8d n ARG 120 Cb 0.46 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.79 1t8d n ARG 120 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1t8d n LYS 121 N 0.00 0.27 -0.05 5.56 3.00 -1.26 -5.13 118.16 120.55 1t8d n LYS 121 Ca 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 58.31 57.07 1t8d n LYS 121 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 34.56 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1t8d n LEU 122 N 2.67 0.00 0.00 3.14 7.94 -1.26 -4.95 117.00 124.54 1t8d n LEU 122 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1t8d n LEU 122 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1t8d n LEU 122 CO -0.08 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.72 1t8d n GLY 123 N 5.00 0.68 3.07 -3.96 0.00 -1.26 -4.88 105.19 103.84 1t8d n GLY 123 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1t8d n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8d s ALA 124 N 0.00 1.39 -0.16 4.61 0.00 -1.25 -0.60 121.76 125.75 1t8d s ALA 124 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1t8d s ALA 124 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1t8d s ALA 124 CO 0.00 0.17 0.01 1.67 0.00 0.00 0.00 175.76 177.60 1t8d s TRP 125 N 0.48 3.13 -0.06 0.00 1.48 0.15 -3.49 118.94 120.63 1t8d s TRP 125 Ca -0.12 -0.10 0.01 0.00 -1.06 0.00 0.00 56.10 54.83 1t8d s TRP 125 Cb -0.15 -1.99 0.02 0.00 -1.16 0.00 0.00 33.47 30.19 1t8d s TRP 125 CO 0.04 0.09 -0.08 0.54 -4.06 0.00 0.00 176.95 173.48 1t8d s VAL 126 N 0.24 0.80 0.10 -0.66 0.11 -1.26 -0.64 120.40 119.09 1t8d s VAL 126 Ca 0.00 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1t8d s VAL 126 Cb -0.13 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1t8d s VAL 126 CO 0.02 0.28 0.04 0.00 -3.33 0.00 0.00 175.10 172.11 1t8d s ASP 128 N -2.99 2.31 0.19 0.00 -4.77 0.10 -0.81 116.67 110.70 1t8d s ASP 128 Ca 0.17 -0.48 -0.16 0.00 -3.30 0.00 0.00 52.55 48.78 1t8d s ASP 128 Cb 0.07 -0.20 0.02 0.00 -1.09 0.00 0.00 42.92 41.73 1t8d s ASP 128 CO -0.03 0.15 0.48 0.00 0.70 0.00 0.00 175.17 176.47 1t8d s ARG 129 N -1.05 1.33 0.13 2.11 1.70 0.30 0.94 118.95 124.41 1t8d s ARG 129 Ca 0.07 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1t8d s ARG 129 Cb -0.08 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 1t8d s ARG 129 CO 0.01 -0.55 1.19 -0.51 -1.08 0.00 0.00 175.30 174.36 1t8d s LEU 130 N -2.88 4.42 0.52 -1.89 1.43 -1.26 0.37 118.68 119.39 1t8d s LEU 130 Ca 0.10 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.12 1t8d s LEU 130 Cb -0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 1t8d s LEU 130 CO -0.03 -0.40 0.99 0.00 0.23 0.00 0.00 176.35 177.14 1t8d n ALA 131 N 3.10 0.24 -3.57 4.21 0.00 -1.17 -4.83 120.51 118.48 1t8d n ALA 131 Ca 0.06 0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1t8d n ALA 131 Cb 0.45 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 1t8d n ALA 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t8d s THR 132 N -1.41 4.33 -0.09 0.00 2.01 -1.26 -5.02 115.64 114.19 1t8d s THR 132 Ca 0.70 -2.44 -0.19 0.00 0.31 0.00 0.00 61.69 60.07 1t8d s THR 132 Cb -0.47 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.29 1t8d s THR 132 CO 0.52 -0.88 0.45 0.00 -0.69 0.00 0.00 174.62 174.02 1t8d s THR 134 N -0.63 2.40 -0.20 0.00 -1.32 -1.26 -5.08 115.64 109.55 1t8d s THR 134 Ca -0.07 -2.78 -0.29 0.00 -1.21 0.00 0.00 61.69 57.33 1t8d s THR 134 Cb -0.03 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 1t8d s THR 134 CO 0.04 -0.69 1.67 -2.16 -2.21 0.00 0.00 174.62 171.26 1t8d s PRO 135 N 0.36 3.80 -0.05 7.08 0.04 -1.26 -4.93 135.00 140.03 1t8d s PRO 135 Ca 0.14 1.76 -0.34 0.00 0.04 0.00 0.00 61.00 62.60 1t8d s PRO 135 Cb -0.22 -4.06 -0.12 0.00 0.04 0.00 0.00 34.50 30.14 1t8d s PRO 135 CO -0.04 -1.29 1.85 -2.30 0.04 0.00 0.00 177.00 175.25 1t8d n PRO 136 N 7.68 2.20 -1.97 0.56 -0.02 -1.26 -4.87 135.00 137.31 1t8d n PRO 136 Ca 0.19 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 1t8d n PRO 136 Cb 0.45 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1t8d n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8d s ALA 137 N 3.70 2.76 0.00 3.55 0.00 -1.26 -4.63 121.76 125.88 1t8d s ALA 137 Ca 0.91 0.19 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1t8d s ALA 137 Cb -0.68 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.38 1t8d s ALA 137 CO 0.50 -2.81 0.02 0.45 0.00 0.00 0.00 175.76 173.91 1t8d n SER 138 N 10.75 0.00 -0.04 0.00 2.88 -1.26 -4.91 113.62 121.04 1t8d n SER 138 Ca 0.23 -1.00 -0.06 0.00 -1.33 0.00 0.00 58.87 56.72 1t8d n SER 138 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 1t8d n SER 138 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1t8d n GLU 139 N 0.00 0.69 -2.15 -1.46 2.13 -1.26 -4.87 120.64 113.72 1t8d n GLU 139 Ca 0.00 0.04 -0.40 0.00 0.66 0.00 0.00 57.16 57.46 1t8d n GLU 139 Cb 0.27 -1.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.78 1t8d n GLU 139 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1t8d s GLY 140 N -4.68 2.98 -1.46 8.31 0.00 -1.26 -2.78 107.32 108.44 1t8d s GLY 140 Ca -0.10 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.77 1t8d s GLY 140 CO 0.22 1.82 0.37 1.44 0.00 0.00 0.00 173.10 176.95 1t8d n SER 141 N 0.63 -5.19 0.07 1.64 7.64 -1.26 -4.78 113.62 112.37 1t8d n SER 141 Ca 0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1t8d n SER 141 Cb 0.43 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d n ALA 142 N -3.05 3.00 -1.97 -0.43 0.00 -1.12 -5.16 120.51 111.79 1t8d n ALA 142 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t8d n ALA 142 Cb 0.61 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1t8d n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65