#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 2.14 3.71 0.23 0.00 -1.26 -5.04 105.19 104.97 1t8d n GLY 2 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1t8d n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1t8d s PHE 3 N 0.00 2.27 -0.14 1.61 2.19 -1.26 -4.99 117.98 117.66 1t8d s PHE 3 Ca 0.00 1.21 -0.26 0.00 0.33 0.00 0.00 56.93 58.21 1t8d s PHE 3 Cb 0.00 -3.18 -0.02 0.00 -1.31 0.00 0.00 43.02 38.51 1t8d s PHE 3 CO 0.00 -2.49 0.85 0.08 1.83 0.00 0.00 175.22 175.49 1t8d s VAL 4 N -2.94 4.88 -0.65 3.12 1.01 -1.26 -5.00 120.40 119.56 1t8d s VAL 4 Ca 0.64 1.70 0.05 0.00 0.00 0.00 0.00 61.98 64.37 1t8d s VAL 4 Cb -0.18 -4.16 0.17 0.00 0.00 0.00 0.00 36.38 32.20 1t8d s VAL 4 CO 0.57 0.05 0.47 0.00 0.00 0.00 0.00 175.10 176.19 1t8d n ASN 6 N 2.12 -1.89 -1.38 0.00 0.23 -1.26 -5.00 115.26 108.08 1t8d n ASN 6 Ca 0.22 -2.41 -0.01 0.00 -0.53 0.00 0.00 54.58 51.84 1t8d n ASN 6 Cb 0.37 1.20 0.19 0.00 -2.08 0.00 0.00 39.78 39.46 1t8d n ASN 6 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1t8d n THR 7 N 1.39 1.71 -3.25 5.53 5.66 -1.26 -4.54 114.28 119.52 1t8d n THR 7 Ca 0.04 -0.85 -0.20 0.00 -3.05 0.00 0.00 64.05 59.99 1t8d n THR 7 Cb 0.69 -0.47 -0.07 0.00 -1.55 0.00 0.00 70.33 68.92 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 3.21 0.05 -4.01 0.00 -0.04 -1.26 -4.73 135.00 128.22 1t8d n PRO 9 Ca 0.23 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.60 1t8d n PRO 9 Cb 0.48 -0.83 -0.10 0.00 -0.04 0.00 0.00 33.50 33.01 1t8d n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1t8d s GLU 10 N -1.13 3.95 0.00 0.54 8.01 -1.26 -4.75 118.70 124.06 1t8d s GLU 10 Ca -0.02 -0.36 0.00 0.00 0.01 0.00 0.00 54.97 54.61 1t8d s GLU 10 Cb 0.00 -3.21 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 1t8d s GLU 10 CO 0.02 0.25 0.00 1.63 0.01 0.00 0.00 175.26 177.17 1t8d n LYS 11 N 3.61 0.00 -1.07 1.61 5.02 -1.26 -4.84 118.16 121.24 1t8d n LYS 11 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 1t8d n LYS 11 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 1t8d n LYS 11 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1t8d n TRP 12 N 0.00 0.55 -4.33 2.13 8.01 -1.26 -4.61 117.44 117.93 1t8d n TRP 12 Ca 0.00 0.75 -0.25 0.00 -1.31 0.00 0.00 57.50 56.68 1t8d n TRP 12 Cb 0.00 -1.47 -0.17 0.00 -2.01 0.00 0.00 31.31 27.67 1t8d n TRP 12 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1t8d s ILE 13 N 0.28 1.09 0.12 -0.99 1.01 0.23 -4.18 121.20 118.76 1t8d s ILE 13 Ca 0.65 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.94 1t8d s ILE 13 Cb -0.91 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1t8d s ILE 13 CO 0.42 0.36 0.04 0.21 0.00 0.00 0.00 174.94 175.96 1t8d s ASN 14 N 1.04 5.14 0.00 3.58 2.47 -1.26 0.10 114.94 126.01 1t8d s ASN 14 Ca -0.08 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.02 1t8d s ASN 14 Cb -0.15 -1.25 0.00 0.00 -1.45 0.00 0.00 41.25 38.41 1t8d s ASN 14 CO -0.01 0.14 0.00 0.49 -3.72 0.00 0.00 177.10 174.00 1t8d n PHE 15 N 0.25 0.00 -0.27 0.43 3.72 0.14 -4.95 117.46 116.77 1t8d n PHE 15 Ca -0.10 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.37 1t8d n PHE 15 Cb 0.53 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.10 0.00 -1.08 3.07 -2.04 -3.39 115.11 111.76 1t8d h GLN 16 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1t8d h GLN 16 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1t8d h GLN 16 CO 0.00 0.06 0.00 -2.13 0.09 0.00 0.00 178.83 176.85 1t8d n ARG 17 N -5.36 0.00 -4.30 0.06 0.00 -1.26 -5.13 116.66 100.67 1t8d n ARG 17 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.76 1t8d n ARG 17 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.89 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 2.19 0.20 -0.14 -2.85 -1.26 -2.14 119.74 115.73 1t8d s LYS 18 Ca 0.00 -1.38 0.04 0.00 -1.00 0.00 0.00 55.97 53.62 1t8d s LYS 18 Cb 0.00 -2.14 -0.05 0.00 -2.06 0.00 0.00 37.83 33.58 1t8d s LYS 18 CO 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 175.35 175.80 1t8d s TYR 20 N -3.39 1.84 -0.18 0.00 1.51 0.28 -1.53 117.35 115.88 1t8d s TYR 20 Ca 0.24 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1t8d s TYR 20 Cb 0.04 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1t8d s TYR 20 CO 0.05 0.31 -0.13 0.71 -1.11 0.00 0.00 175.55 175.38 1t8d s TYR 21 N -1.79 2.84 -0.41 2.71 2.02 0.61 -0.60 117.35 122.74 1t8d s TYR 21 Ca 0.13 -1.15 0.11 0.00 -0.37 0.00 0.00 57.07 55.80 1t8d s TYR 21 Cb -0.07 -1.97 0.41 0.00 -0.40 0.00 0.00 41.96 39.94 1t8d s TYR 21 CO 0.06 -0.57 0.98 1.19 -1.57 0.00 0.00 175.55 175.64 1t8d n PHE 22 N 4.42 2.26 -2.40 2.71 3.72 -1.26 -1.65 117.46 125.26 1t8d n PHE 22 Ca -0.19 -3.21 -0.25 0.00 -0.05 0.00 0.00 57.45 53.75 1t8d n PHE 22 Cb 0.51 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 38.87 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 -3.23 1.76 -0.04 1.37 0.00 -0.44 -4.65 107.32 102.07 1t8d s GLY 23 Ca 0.39 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.72 1t8d s GLY 23 CO -0.09 -0.90 -0.19 -1.59 0.00 0.00 0.00 173.10 170.33 1t8d s LYS 24 N -5.26 2.42 0.00 2.90 -2.85 -1.26 0.04 119.74 115.72 1t8d s LYS 24 Ca 0.66 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 1t8d s LYS 24 Cb -0.06 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 1t8d s LYS 24 CO 0.45 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.87 1t8d n GLY 25 N 2.48 -0.07 3.48 0.59 0.00 -1.25 -4.82 105.19 105.60 1t8d n GLY 25 Ca -0.17 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t8d s THR 26 N 0.00 0.00 0.00 2.61 2.01 -1.26 -4.75 115.64 114.24 1t8d s THR 26 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1t8d s THR 26 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1t8d s THR 26 CO 0.00 0.00 0.20 0.29 -0.69 0.00 0.00 174.62 174.42 1t8d n LYS 27 N 0.20 1.69 -3.82 4.92 4.01 -1.26 -4.57 118.16 119.32 1t8d n LYS 27 Ca -0.16 -0.20 -0.08 0.00 -0.51 0.00 0.00 58.31 57.36 1t8d n LYS 27 Cb 0.61 -0.63 0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1t8d s GLN 28 N -0.30 2.08 0.02 1.97 -0.21 -1.26 -4.82 119.66 117.14 1t8d s GLN 28 Ca 0.00 -1.30 -0.25 0.00 0.02 0.00 0.00 55.36 53.83 1t8d s GLN 28 Cb 0.00 0.61 -0.18 0.00 1.00 0.00 0.00 33.01 34.44 1t8d s GLN 28 CO 0.00 -0.97 1.41 2.35 -2.12 0.00 0.00 175.29 175.96 1t8d h TRP 29 N 2.00 -0.05 -0.53 0.91 7.01 -1.99 -2.74 115.95 120.56 1t8d h TRP 29 Ca -0.29 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 60.84 1t8d h TRP 29 Cb 1.25 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.30 1t8d h TRP 29 CO 1.15 0.27 0.37 -0.39 -2.79 0.00 0.00 178.44 177.05 1t8d h VAL 30 N -0.37 0.79 0.00 2.65 -1.51 -1.99 0.30 116.25 116.11 1t8d h VAL 30 Ca -0.01 -0.04 -0.10 0.00 -1.23 0.00 0.00 66.70 65.32 1t8d h VAL 30 Cb 0.34 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 1t8d h VAL 30 CO 0.01 0.02 -0.50 0.45 -1.23 0.00 0.00 177.57 176.33 1t8d h HIS 31 N 0.12 0.00 -0.04 5.19 3.86 -1.90 -2.23 115.15 120.15 1t8d h HIS 31 Ca 0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1t8d h HIS 31 Cb 0.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1t8d h HIS 31 CO -0.00 0.50 -0.07 0.00 0.86 0.00 0.00 177.93 179.22 1t8d h ALA 32 N 1.50 0.06 -0.56 2.45 0.00 -0.13 -1.74 119.26 120.85 1t8d h ALA 32 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1t8d h ALA 32 Cb 0.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1t8d h ALA 32 CO 0.06 -0.11 0.27 0.07 0.00 0.00 0.00 179.25 179.54 1t8d h ARG 33 N -0.38 0.79 -0.42 0.00 -0.00 -1.45 0.01 114.38 112.93 1t8d h ARG 33 Ca 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 59.98 59.85 1t8d h ARG 33 Cb 0.62 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 30.42 1t8d h ARG 33 CO 0.02 0.61 0.10 -0.92 -0.00 0.00 0.00 179.97 179.78 1t8d h TYR 34 N 0.79 0.71 -0.57 4.08 5.03 -1.36 -0.52 116.97 125.13 1t8d h TYR 34 Ca 0.20 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1t8d h TYR 34 Cb 0.09 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 1t8d h TYR 34 CO 0.01 0.66 0.13 0.00 -1.32 0.00 0.00 178.16 177.64 1t8d h ALA 35 N 0.96 1.16 -0.78 1.82 0.00 -0.77 -2.16 119.26 119.50 1t8d h ALA 35 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1t8d h ALA 35 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1t8d h ALA 35 CO 0.00 0.57 0.50 0.00 0.00 0.00 0.00 179.25 180.32 1t8d h ASP 37 N 1.07 0.88 0.38 0.00 1.82 -0.45 0.92 116.42 121.02 1t8d h ASP 37 Ca 0.29 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 1t8d h ASP 37 Cb -0.09 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.75 1t8d h ASP 37 CO -0.06 0.52 -0.14 0.44 -1.61 0.00 0.00 179.24 178.39 1t8d h ASP 38 N 0.97 0.00 0.46 2.28 3.32 -0.96 -1.09 116.42 121.41 1t8d h ASP 38 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1t8d h ASP 38 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1t8d h ASP 38 CO -0.18 0.14 -1.01 0.23 -1.72 0.00 0.00 179.24 176.70 1t8d n MET 39 N -3.72 0.30 -3.02 3.56 2.81 0.17 -4.98 117.12 112.24 1t8d n MET 39 Ca -0.02 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1t8d n MET 39 Cb 0.26 -1.60 0.04 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.99 -4.04 0.00 0.03 1.02 0.27 -4.96 120.64 110.97 1t8d n GLU 40 Ca 0.02 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1t8d n GLU 40 Cb 0.44 -4.36 0.00 0.00 -0.02 0.00 0.00 31.44 27.50 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 -1.30 1.69 3.32 0.62 0.00 -0.99 -4.78 105.19 103.77 1t8d n GLY 41 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 3.69 1.03 -0.37 1.61 0.74 0.32 -4.87 119.66 121.80 1t8d s GLN 42 Ca 0.00 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 1t8d s GLN 42 Cb 0.00 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.58 1t8d s GLN 42 CO 0.00 -0.39 1.28 -1.17 -0.55 0.00 0.00 175.29 174.46 1t8d s LEU 43 N -2.54 3.74 0.00 3.68 2.96 -1.26 0.14 118.68 125.39 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 43.16 1t8d s LEU 43 CO -0.09 -1.21 0.00 1.33 -1.32 0.00 0.00 176.35 175.06 1t8d n VAL 44 N 6.59 0.00 -2.69 1.68 0.24 -1.25 -2.72 118.33 120.18 1t8d n VAL 44 Ca 0.14 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.29 1t8d n VAL 44 Cb 0.48 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.86 1t8d n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1t8d n SER 45 N -0.29 -4.75 -2.94 -1.34 3.41 -1.26 -4.60 113.62 101.85 1t8d n SER 45 Ca 0.00 -0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.12 1t8d n SER 45 Cb 0.00 -3.67 -0.02 0.00 -0.26 0.00 0.00 64.21 60.26 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1t8d n ILE 46 N -4.12 1.17 -0.60 -1.33 -5.35 -1.26 -4.83 119.36 103.03 1t8d n ILE 46 Ca -0.10 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1t8d n ILE 46 Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1t8d n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t8d n HIS 47 N 0.12 0.00 -4.11 4.28 1.44 -1.26 -4.82 115.22 110.86 1t8d n HIS 47 Ca 0.12 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.49 1t8d n HIS 47 Cb 0.15 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.04 3.91 0.55 4.39 0.15 -1.26 -4.67 113.70 116.72 1t8d s SER 48 Ca 0.00 -0.46 0.40 0.00 0.70 0.00 0.00 55.95 56.59 1t8d s SER 48 Cb 0.00 -1.64 1.59 0.00 -1.71 0.00 0.00 66.02 64.26 1t8d s SER 48 CO 0.00 0.02 1.73 -0.65 1.20 0.00 0.00 173.24 175.54 1t8d h PRO 49 N 7.84 0.00 -0.06 5.44 0.11 -1.98 0.48 132.00 143.83 1t8d h PRO 49 Ca -0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1t8d h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t8d h PRO 49 CO 0.60 0.00 -0.26 1.49 -0.21 0.00 0.00 178.00 179.62 1t8d h GLU 50 N 0.00 0.28 -0.26 1.05 4.81 -1.97 -1.61 114.58 116.88 1t8d h GLU 50 Ca 0.66 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1t8d h GLU 50 Cb 2.68 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 32.09 1t8d h GLU 50 CO -0.01 0.87 0.11 0.93 -0.73 0.00 0.00 179.01 180.18 1t8d h GLU 51 N -0.24 0.39 -0.75 1.92 4.39 -0.52 0.68 114.58 120.44 1t8d h GLU 51 Ca -0.02 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1t8d h GLU 51 Cb 0.91 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1t8d h GLU 51 CO 0.05 0.41 0.37 -0.56 -1.16 0.00 0.00 179.01 178.12 1t8d h GLN 52 N 0.28 1.07 -0.23 2.33 -0.00 -1.22 -1.75 115.11 115.60 1t8d h GLN 52 Ca 0.09 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.65 58.48 1t8d h GLN 52 Cb 0.16 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 1t8d h GLN 52 CO -0.01 0.83 -0.29 0.22 -0.00 0.00 0.00 178.83 179.58 1t8d h ASP 53 N 1.05 0.48 0.10 0.06 3.58 -0.98 0.10 116.42 120.80 1t8d h ASP 53 Ca 0.26 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1t8d h ASP 53 Cb 0.10 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1t8d h ASP 53 CO -0.03 0.75 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.75 1t8d h PHE 54 N 0.41 -0.18 -0.09 0.28 0.04 0.12 0.41 116.94 117.93 1t8d h PHE 54 Ca 0.05 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.61 1t8d h PHE 54 Cb 0.72 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1t8d h PHE 54 CO 0.02 -0.11 -0.81 1.37 -0.60 0.00 0.00 178.31 178.18 1t8d h LEU 55 N -0.17 0.70 -1.14 1.54 8.10 -1.32 -1.51 115.31 121.52 1t8d h LEU 55 Ca -0.00 -0.48 0.01 0.00 0.11 0.00 0.00 57.88 57.51 1t8d h LEU 55 Cb 0.15 -0.21 -0.04 0.00 -0.44 0.00 0.00 40.66 40.12 1t8d h LEU 55 CO -0.00 1.26 0.56 0.74 -4.11 0.00 0.00 178.44 176.89 1t8d h THR 56 N 0.38 1.22 -0.03 0.15 2.02 -0.58 0.39 112.91 116.46 1t8d h THR 56 Ca -0.06 -0.42 -0.20 0.00 0.77 0.00 0.00 66.41 66.50 1t8d h THR 56 Cb 1.42 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1t8d h THR 56 CO 0.15 0.22 -0.83 0.50 0.37 0.00 0.00 175.52 175.93 1t8d h LYS 57 N 1.17 0.37 0.00 6.66 1.63 -0.12 -3.00 116.57 123.28 1t8d h LYS 57 Ca 0.32 -0.35 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 1t8d h LYS 57 Cb -0.12 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1t8d h LYS 57 CO -0.07 1.02 -0.30 1.25 -3.45 0.00 0.00 179.45 177.90 1t8d h HIS 58 N 0.23 0.00 -2.00 1.91 2.76 -0.13 -3.40 115.15 114.51 1t8d h HIS 58 Ca -0.05 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.62 1t8d h HIS 58 Cb 1.44 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.36 1t8d h HIS 58 CO 0.05 0.30 1.29 0.00 -1.30 0.00 0.00 177.93 178.27 1t8d s ALA 59 N -3.97 2.26 0.00 5.26 0.00 0.13 -4.90 121.76 120.53 1t8d s ALA 59 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1t8d s ALA 59 Cb 0.13 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1t8d s ALA 59 CO 0.67 -3.82 0.51 0.45 0.00 0.00 0.00 175.76 173.57 1t8d n SER 60 N 12.18 0.00 -0.02 0.00 2.88 -1.26 -4.66 113.62 122.74 1t8d n SER 60 Ca 0.18 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1t8d n SER 60 Cb 0.51 -0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1t8d n SER 60 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1t8d n HIS 61 N -0.58 0.00 -3.78 0.66 8.25 -1.26 -4.98 115.22 113.52 1t8d n HIS 61 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1t8d n HIS 61 Cb 0.00 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 30.77 1t8d n HIS 61 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1t8d s THR 62 N -2.35 5.33 0.00 1.59 -4.23 -1.26 -4.98 115.64 109.74 1t8d s THR 62 Ca -0.03 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1t8d s THR 62 Cb 0.04 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1t8d s THR 62 CO 0.30 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 1t8d n GLY 63 N 3.38 -2.57 3.21 3.99 0.00 -1.26 -4.63 105.19 107.32 1t8d n GLY 63 Ca -0.16 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.63 1.30 -0.13 1.61 1.04 -1.01 -3.84 113.70 111.04 1t8d s SER 64 Ca 0.00 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 1t8d s SER 64 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1t8d s SER 64 CO 0.00 -0.47 -0.06 0.26 0.98 0.00 0.00 173.24 173.95 1t8d s TRP 65 N -3.57 2.98 0.36 5.02 0.51 -1.23 -1.89 118.94 121.11 1t8d s TRP 65 Ca 0.17 -0.29 0.08 0.00 -2.12 0.00 0.00 56.10 53.94 1t8d s TRP 65 Cb 0.05 -1.89 -0.04 0.00 -0.81 0.00 0.00 33.47 30.78 1t8d s TRP 65 CO -0.01 0.01 0.16 0.96 -0.51 0.00 0.00 176.95 177.56 1t8d s ILE 66 N 0.11 2.81 -1.25 2.03 -4.36 -1.25 -4.15 121.20 115.15 1t8d s ILE 66 Ca -0.02 -1.69 -0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1t8d s ILE 66 Cb -0.14 -2.97 -0.11 0.00 1.25 0.00 0.00 42.46 40.49 1t8d s ILE 66 CO 0.03 -0.13 2.90 0.61 0.24 0.00 0.00 174.94 178.59 1t8d n GLY 67 N -1.18 3.83 3.06 6.27 0.00 -1.10 -4.66 105.19 111.40 1t8d n GLY 67 Ca -0.02 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 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 0.13 1.71 -0.04 0.99 1.98 -1.26 -1.86 118.68 120.33 1t8d s LEU 68 Ca 0.64 -0.40 -0.02 0.00 -2.89 0.00 0.00 54.13 51.46 1t8d s LEU 68 Cb 0.19 -1.04 0.03 0.00 0.66 0.00 0.00 46.19 46.02 1t8d s LEU 68 CO -0.05 0.03 0.05 -0.60 -1.89 0.00 0.00 176.35 173.89 1t8d s ARG 69 N 0.88 -0.01 0.30 1.98 3.00 0.16 -3.32 118.95 121.94 1t8d s ARG 69 Ca -0.09 0.34 -0.14 0.00 -1.00 0.00 0.00 55.73 54.84 1t8d s ARG 69 Cb -0.15 -0.53 -0.09 0.00 0.00 0.00 0.00 34.95 34.18 1t8d s ARG 69 CO 0.00 -0.31 0.70 1.21 0.00 0.00 0.00 175.30 176.90 1t8d s ASN 70 N 2.06 6.76 0.06 -2.12 3.84 -1.14 -0.48 114.94 123.92 1t8d s ASN 70 Ca 0.04 1.22 -0.23 0.00 0.21 0.00 0.00 52.86 54.09 1t8d s ASN 70 Cb -0.12 -2.35 -0.06 0.00 -0.55 0.00 0.00 41.25 38.17 1t8d s ASN 70 CO -0.03 -0.17 0.71 -0.76 -2.79 0.00 0.00 177.10 174.06 1t8d s LEU 71 N -2.90 4.48 0.00 3.21 1.43 -1.04 -4.70 118.68 119.16 1t8d s LEU 71 Ca 0.52 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1t8d s LEU 71 Cb -0.11 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1t8d s LEU 71 CO 0.18 0.10 0.00 0.47 0.23 0.00 0.00 176.35 177.33 1t8d n ASP 72 N 2.45 0.00 0.10 2.29 8.00 -1.26 -2.98 116.55 125.15 1t8d n ASP 72 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1t8d n ASP 72 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1t8d n ASP 72 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1t8d n LEU 73 N 0.00 -1.71 -1.18 0.64 7.94 -1.26 -4.82 117.00 116.61 1t8d n LEU 73 Ca 0.00 0.45 0.11 0.00 -1.11 0.00 0.00 56.01 55.46 1t8d n LEU 73 Cb 0.00 1.82 0.27 0.00 0.53 0.00 0.00 43.42 46.04 1t8d n LEU 73 CO 0.00 -0.03 0.74 0.29 -1.11 0.00 0.00 177.39 177.28 1t8d n LYS 74 N -2.89 2.51 0.00 1.96 5.02 -1.26 -4.90 118.16 118.59 1t8d n LYS 74 Ca 0.00 -2.31 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1t8d n LYS 74 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1t8d n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t8d n GLY 75 N 1.53 -1.03 3.30 0.72 0.00 -1.16 -5.05 105.19 103.51 1t8d n GLY 75 Ca 0.21 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 1.84 -0.10 1.61 8.01 -1.26 -4.90 118.70 123.89 1t8d s GLU 76 Ca 0.00 -0.96 -0.29 0.00 0.01 0.00 0.00 54.97 53.72 1t8d s GLU 76 Cb 0.00 -1.88 -0.03 0.00 -4.31 0.00 0.00 34.13 27.90 1t8d s GLU 76 CO 0.00 0.50 1.43 -0.06 0.01 0.00 0.00 175.26 177.15 1t8d s PHE 77 N -0.68 2.49 -0.01 1.61 0.08 -1.26 -2.49 117.98 117.71 1t8d s PHE 77 Ca 0.10 0.66 0.06 0.00 0.12 0.00 0.00 56.93 57.87 1t8d s PHE 77 Cb -0.10 -3.69 -0.03 0.00 -0.57 0.00 0.00 43.02 38.64 1t8d s PHE 77 CO 0.00 -2.65 -0.20 0.42 -0.10 0.00 0.00 175.22 172.70 1t8d s ILE 78 N 3.62 2.63 0.55 0.64 1.01 0.37 -2.55 121.20 127.46 1t8d s ILE 78 Ca 0.63 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 1t8d s ILE 78 Cb -0.27 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 1t8d s ILE 78 CO 0.22 0.51 1.06 0.26 0.00 0.00 0.00 174.94 176.99 1t8d s TRP 79 N -0.75 2.93 0.59 3.97 0.51 0.30 0.35 118.94 126.83 1t8d s TRP 79 Ca 0.12 1.54 0.29 0.00 -2.12 0.00 0.00 56.10 55.93 1t8d s TRP 79 Cb -0.10 -3.08 1.75 0.00 -0.81 0.00 0.00 33.47 31.22 1t8d s TRP 79 CO 0.01 -1.09 2.20 -0.24 -0.51 0.00 0.00 176.95 177.32 1t8d h VAL 80 N 0.99 0.52 0.00 4.03 3.04 -1.68 0.30 116.25 123.44 1t8d h VAL 80 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 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 0.58 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.47 1t8d n ASP 81 N -3.86 0.00 -0.05 3.17 2.03 -1.26 -4.87 116.55 111.72 1t8d n ASP 81 Ca -0.01 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1t8d n ASP 81 Cb 0.17 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.94 0.95 2.97 0.27 0.00 0.10 -5.08 105.19 105.35 1t8d n GLY 82 Ca 0.15 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1t8d n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8d s SER 83 N -2.65 2.23 0.54 1.61 0.01 -1.22 -4.89 113.70 109.33 1t8d s SER 83 Ca 0.00 -0.35 -0.22 0.00 1.31 0.00 0.00 55.95 56.69 1t8d s SER 83 Cb 0.00 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.24 1t8d s SER 83 CO 0.00 -0.06 1.29 1.57 0.41 0.00 0.00 173.24 176.46 1t8d n HIS 84 N 4.58 2.07 -1.29 2.43 -0.00 -1.26 -0.54 115.22 121.20 1t8d n HIS 84 Ca -0.16 0.44 -0.36 0.00 -0.00 0.00 0.00 57.72 57.64 1t8d n HIS 84 Cb 0.51 -2.33 0.07 0.00 -0.00 0.00 0.00 29.99 28.24 1t8d n HIS 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1t8d n VAL 85 N -1.08 2.11 0.00 3.57 0.31 -1.06 -4.81 118.33 117.38 1t8d n VAL 85 Ca 0.11 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1t8d n VAL 85 Cb 0.44 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 1t8d n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8d n ASP 86 N -0.73 4.07 -0.01 4.52 8.00 -1.26 -4.93 116.55 126.22 1t8d n ASP 86 Ca 0.11 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 1t8d n ASP 86 Cb 0.50 0.19 -0.00 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.21 0.00 -1.39 1.24 4.02 -1.26 -5.15 117.16 112.42 1t8d n TYR 87 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1t8d n TYR 87 Cb 0.46 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 1t8d n TYR 87 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1t8d n SER 88 N -2.79 -7.49 0.00 7.72 7.64 -1.26 -4.98 113.62 112.46 1t8d n SER 88 Ca -0.02 1.55 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1t8d n SER 88 Cb 0.52 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1t8d n SER 88 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1t8d n ASN 89 N -3.30 0.00 -3.91 6.43 3.02 -1.26 -5.08 115.26 111.16 1t8d n ASN 89 Ca -0.04 -0.14 -0.55 0.00 -0.03 0.00 0.00 54.58 53.82 1t8d n ASN 89 Cb 0.53 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.00 1.14 -1.17 3.10 4.27 -1.26 -3.67 117.44 119.84 1t8d n TRP 90 Ca 0.00 0.75 -0.46 0.00 -3.89 0.00 0.00 57.50 53.90 1t8d n TRP 90 Cb 0.03 -2.06 -0.06 0.00 -1.36 0.00 0.00 31.31 27.86 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 6.26 -2.97 0.15 -1.67 0.00 0.57 -4.88 120.51 117.97 1t8d n ALA 91 Ca 0.46 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 54.29 1t8d n ALA 91 Cb -0.04 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1t8d n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1t8d h PRO 92 N 2.34 -0.46 -3.64 0.00 0.11 -1.91 -3.35 132.00 125.08 1t8d h PRO 92 Ca -0.40 0.03 -0.76 0.00 0.11 0.00 0.00 66.00 64.98 1t8d h PRO 92 Cb 1.12 0.11 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 1t8d h PRO 92 CO 0.51 -0.31 0.06 0.20 -0.21 0.00 0.00 178.00 178.25 1t8d s GLY 93 N -1.48 2.83 -0.49 -0.55 0.00 -1.26 -4.87 107.32 101.49 1t8d s GLY 93 Ca -0.08 -3.51 0.05 0.00 0.00 0.00 0.00 44.72 41.17 1t8d s GLY 93 CO 0.27 1.23 0.79 1.18 0.00 0.00 0.00 173.10 176.57 1t8d n GLU 94 N 3.33 0.47 -2.13 2.90 -0.58 -1.26 -5.12 120.64 118.26 1t8d n GLU 94 Ca 0.16 -1.84 -0.42 0.00 -0.42 0.00 0.00 57.16 54.64 1t8d n GLU 94 Cb 0.42 -1.22 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 1t8d n GLU 94 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1t8d s PRO 95 N 0.88 3.23 0.19 3.49 0.04 -1.26 -4.93 135.00 136.65 1t8d s PRO 95 Ca 0.29 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1t8d s PRO 95 Cb 0.02 -4.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 1t8d s PRO 95 CO -0.06 -1.99 1.41 0.95 0.04 0.00 0.00 177.00 177.35 1t8d s THR 96 N 6.95 2.95 0.38 1.26 -4.23 -1.26 -5.02 115.64 116.66 1t8d s THR 96 Ca 0.70 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 1t8d s THR 96 Cb -0.17 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 70.26 1t8d s THR 96 CO 0.30 0.10 0.51 -0.24 -0.54 0.00 0.00 174.62 174.75 1t8d n SER 97 N 2.99 0.76 -2.89 3.99 2.88 -1.26 -4.85 113.62 115.25 1t8d n SER 97 Ca 0.09 -1.62 -0.07 0.00 -1.33 0.00 0.00 58.87 55.93 1t8d n SER 97 Cb 0.41 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.55 1t8d n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1t8d n ARG 98 N -1.94 -2.63 -2.03 -1.46 5.12 -1.26 -4.94 116.66 107.52 1t8d n ARG 98 Ca 0.09 2.23 -0.34 0.00 -1.93 0.00 0.00 57.85 57.89 1t8d n ARG 98 Cb 0.31 -4.86 0.02 0.00 -1.16 0.00 0.00 32.46 26.78 1t8d n ARG 98 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1t8d s SER 99 N -1.99 5.41 0.00 0.55 0.01 -1.26 -4.80 113.70 111.63 1t8d s SER 99 Ca 0.14 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1t8d s SER 99 Cb -0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1t8d s SER 99 CO 0.72 -1.43 0.00 1.67 0.41 0.00 0.00 173.24 174.62 1t8d n GLN 100 N -1.79 0.00 0.00 12.44 -0.06 -1.26 -5.06 117.38 121.65 1t8d n GLN 100 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1t8d n GLN 100 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 1t8d n GLN 100 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1t8d n GLY 101 N 2.51 -0.80 0.00 1.69 0.00 -1.26 -5.08 105.19 102.25 1t8d n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.54 -3.15 1.61 1.02 -1.26 -5.02 120.64 117.38 1t8d n GLU 102 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1t8d n GLU 102 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1t8d n GLU 102 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1t8d s ASP 103 N -0.77 -1.35 -0.00 1.62 1.47 0.13 -4.28 116.67 113.49 1t8d s ASP 103 Ca 0.00 0.32 -0.27 0.00 1.18 0.00 0.00 52.55 53.78 1t8d s ASP 103 Cb 0.00 1.92 0.06 0.00 -0.34 0.00 0.00 42.92 44.57 1t8d s ASP 103 CO 0.00 -0.25 0.62 0.00 0.68 0.00 0.00 175.17 176.22 1t8d s VAL 105 N -1.78 3.65 0.39 0.00 1.01 -1.21 -2.61 120.40 119.86 1t8d s VAL 105 Ca -0.08 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1t8d s VAL 105 Cb -0.01 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 1t8d s VAL 105 CO 0.04 0.53 0.02 0.00 0.00 0.00 0.00 175.10 175.69 1t8d s MET 106 N -0.02 1.98 -0.09 2.72 0.23 -0.50 -3.83 119.30 119.79 1t8d s MET 106 Ca -0.00 -2.00 0.03 0.00 -1.03 0.00 0.00 55.69 52.69 1t8d s MET 106 Cb -0.13 -1.73 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1t8d s MET 106 CO 0.03 -0.00 -0.19 1.41 -2.03 0.00 0.00 175.02 174.24 1t8d s MET 107 N -3.72 2.51 0.00 3.16 1.75 -0.79 0.68 119.30 122.89 1t8d s MET 107 Ca 0.35 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 1t8d s MET 107 Cb 0.07 -1.96 0.00 0.00 2.84 0.00 0.00 34.83 35.77 1t8d s MET 107 CO 0.19 0.10 0.00 -2.13 -0.65 0.00 0.00 175.02 172.52 1t8d n ARG 108 N 3.70 0.00 -1.64 4.11 0.00 -0.98 -2.39 116.66 119.47 1t8d n ARG 108 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1t8d n ARG 108 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t8d n GLY 109 N -0.35 -4.92 5.16 5.14 0.00 -1.26 -4.32 105.19 104.64 1t8d n GLY 109 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1t8d n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8d n SER 110 N 1.20 0.00 0.00 1.61 7.64 -1.26 -3.47 113.62 119.34 1t8d n SER 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t8d n SER 110 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t8d n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t8d n GLY 111 N 0.00 0.00 0.00 0.23 0.00 -1.26 -5.09 105.19 99.07 1t8d n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.03 1.61 0.00 -1.23 -4.78 116.66 108.23 1t8d n ARG 112 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1t8d n ARG 112 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 1t8d n ARG 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1t8d s TRP 113 N 0.96 2.96 -0.04 2.89 0.52 -1.24 -2.31 118.94 122.67 1t8d s TRP 113 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 56.10 55.89 1t8d s TRP 113 Cb 0.00 -1.54 0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1t8d s TRP 113 CO 0.00 0.40 0.05 -0.80 0.02 0.00 0.00 176.95 176.62 1t8d s ASN 114 N -3.88 1.15 -0.26 2.95 0.01 0.21 -0.32 114.94 114.82 1t8d s ASN 114 Ca 0.36 0.06 -0.17 0.00 -0.71 0.00 0.00 52.86 52.40 1t8d s ASN 114 Cb -0.06 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.40 1t8d s ASN 114 CO 0.25 -0.24 0.49 -0.62 -1.51 0.00 0.00 177.10 175.46 1t8d s ASP 115 N 2.11 6.41 0.16 -1.22 2.15 -1.26 -1.41 116.67 123.62 1t8d s ASP 115 Ca 0.05 0.49 -0.19 0.00 0.43 0.00 0.00 52.55 53.32 1t8d s ASP 115 Cb -0.12 -2.27 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 1t8d s ASP 115 CO -0.03 -0.25 0.52 0.00 -0.17 0.00 0.00 175.17 175.24 1t8d s ALA 116 N 2.18 -1.19 0.00 3.66 0.00 -1.07 -4.76 121.76 120.58 1t8d s ALA 116 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1t8d s ALA 116 Cb -0.16 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1t8d s ALA 116 CO 0.09 -0.75 0.81 1.19 0.00 0.00 0.00 175.76 177.10 1t8d n PHE 117 N -0.33 0.00 0.00 0.00 3.72 -1.26 -1.89 117.46 117.71 1t8d n PHE 117 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1t8d n PHE 117 Cb 0.64 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t8d n ASP 119 N 0.00 8.10 -3.13 0.00 5.68 -1.26 -4.95 116.55 120.99 1t8d n ASP 119 Ca 0.00 -2.64 -0.35 0.00 -0.50 0.00 0.00 54.79 51.30 1t8d n ASP 119 Cb 0.00 -1.56 -0.03 0.00 -1.14 0.00 0.00 41.12 38.39 1t8d n ASP 119 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1t8d n ARG 120 N 3.79 0.00 -0.45 0.11 0.00 -1.26 -4.88 116.66 113.96 1t8d n ARG 120 Ca 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1t8d n ARG 120 Cb 0.25 -0.77 0.00 0.00 -0.00 0.00 0.00 32.46 31.95 1t8d n ARG 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1t8d n LYS 121 N 0.77 0.00 -1.00 2.89 3.00 -1.26 -5.09 118.16 117.47 1t8d n LYS 121 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1t8d n LYS 121 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1t8d n LYS 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1t8d n LEU 122 N 0.00 0.00 -1.28 3.14 4.32 -1.26 -4.76 117.00 117.15 1t8d n LEU 122 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 1t8d n LEU 122 Cb 0.51 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1t8d n LEU 122 CO 0.00 -0.21 0.38 0.61 -1.22 0.00 0.00 177.39 176.95 1t8d n GLY 123 N 5.00 0.69 3.15 -0.72 0.00 -1.26 -4.90 105.19 107.15 1t8d n GLY 123 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.02 -0.77 -0.14 4.61 0.00 -1.25 -3.76 121.76 120.47 1t8d s ALA 124 Ca 0.02 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 1t8d s ALA 124 Cb 0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1t8d s ALA 124 CO -0.02 -0.25 0.28 1.67 0.00 0.00 0.00 175.76 177.44 1t8d s TRP 125 N 1.38 3.50 -0.06 0.00 1.48 0.11 -3.58 118.94 121.76 1t8d s TRP 125 Ca -0.09 0.62 0.02 0.00 -1.06 0.00 0.00 56.10 55.58 1t8d s TRP 125 Cb -0.10 -2.29 0.02 0.00 -1.16 0.00 0.00 33.47 29.94 1t8d s TRP 125 CO -0.10 0.33 -0.09 0.54 -4.06 0.00 0.00 176.95 173.56 1t8d s VAL 126 N 0.16 0.93 0.08 -0.66 0.11 -1.25 -1.33 120.40 118.44 1t8d s VAL 126 Ca 0.17 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1t8d s VAL 126 Cb -0.13 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1t8d s VAL 126 CO 0.05 0.32 0.03 0.00 -3.33 0.00 0.00 175.10 172.16 1t8d s ASP 128 N -2.94 2.31 0.27 0.00 -4.77 0.12 0.23 116.67 111.89 1t8d s ASP 128 Ca 0.11 -0.48 -0.15 0.00 -3.30 0.00 0.00 52.55 48.73 1t8d s ASP 128 Cb 0.07 -0.20 0.01 0.00 -1.09 0.00 0.00 42.92 41.71 1t8d s ASP 128 CO -0.07 0.16 0.58 0.00 0.70 0.00 0.00 175.17 176.53 1t8d s ARG 129 N -1.03 1.70 0.24 2.11 1.70 -0.58 0.12 118.95 123.21 1t8d s ARG 129 Ca 0.07 -1.22 -0.25 0.00 -0.47 0.00 0.00 55.73 53.86 1t8d s ARG 129 Cb -0.08 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1t8d s ARG 129 CO 0.01 -0.74 0.84 -0.51 -1.08 0.00 0.00 175.30 173.82 1t8d s LEU 130 N -3.01 4.45 0.54 -1.89 2.01 -1.26 0.02 118.68 119.54 1t8d s LEU 130 Ca 0.19 1.68 -0.18 0.00 0.01 0.00 0.00 54.13 55.83 1t8d s LEU 130 Cb -0.03 -3.64 -0.12 0.00 0.01 0.00 0.00 46.19 42.41 1t8d s LEU 130 CO 0.09 0.07 0.15 0.00 1.01 0.00 0.00 176.35 177.67 1t8d n ALA 131 N 1.01 -2.26 -3.11 4.21 0.00 -0.91 -4.80 120.51 114.65 1t8d n ALA 131 Ca -0.02 -0.05 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 1t8d n ALA 131 Cb 0.50 -1.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.88 4.94 0.00 0.00 2.01 -1.26 -4.52 115.64 114.93 1t8d s THR 132 Ca 0.62 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1t8d s THR 132 Cb -0.47 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.50 1t8d s THR 132 CO 0.61 -1.19 0.00 0.00 -0.69 0.00 0.00 174.62 173.36 1t8d s THR 134 N -0.09 3.69 0.85 0.00 2.01 -1.26 -4.94 115.64 115.90 1t8d s THR 134 Ca 0.00 -2.99 -0.13 0.00 0.31 0.00 0.00 61.69 58.88 1t8d s THR 134 Cb 0.00 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.17 1t8d s THR 134 CO 0.00 -0.88 0.93 -2.65 -0.69 0.00 0.00 174.62 171.33 1t8d n PRO 135 N 3.45 -0.04 -1.88 4.92 -0.02 -1.26 -4.83 135.00 135.35 1t8d n PRO 135 Ca 0.08 0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 1t8d n PRO 135 Cb 0.38 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1t8d n PRO 135 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1t8d s PRO 136 N -3.93 2.33 1.64 0.52 0.04 -1.26 -4.80 135.00 129.55 1t8d s PRO 136 Ca 0.67 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1t8d s PRO 136 Cb -0.27 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1t8d s PRO 136 CO 0.57 -3.36 0.00 0.00 0.04 0.00 0.00 177.00 174.25 1t8d n ALA 137 N 14.75 -0.46 -3.55 8.56 0.00 -1.26 -5.03 120.51 133.53 1t8d n ALA 137 Ca 0.35 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.86 1t8d n ALA 137 Cb 0.49 -0.16 0.02 0.00 0.00 0.00 0.00 19.45 19.80 1t8d n ALA 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8d n SER 138 N -3.24 -1.37 -0.01 0.00 7.64 -1.26 -5.01 113.62 110.37 1t8d n SER 138 Ca 0.00 -1.87 0.15 0.00 1.01 0.00 0.00 58.87 58.17 1t8d n SER 138 Cb 0.08 2.26 0.85 0.00 -1.01 0.00 0.00 64.21 66.39 1t8d n SER 138 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1t8d n GLU 139 N -0.40 0.77 -2.24 1.43 0.28 -1.26 -4.84 120.64 114.38 1t8d n GLU 139 Ca -0.04 -0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.51 1t8d n GLU 139 Cb 0.39 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 1t8d n GLU 139 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1t8d s GLY 140 N -2.25 2.23 0.00 -1.84 0.00 -1.26 -4.97 107.32 99.24 1t8d s GLY 140 Ca 0.39 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1t8d s GLY 140 CO 0.41 2.18 0.00 1.44 0.00 0.00 0.00 173.10 177.13 1t8d n SER 141 N 3.46 0.00 -3.03 1.64 7.64 -1.26 -4.98 113.62 117.09 1t8d n SER 141 Ca 0.09 0.07 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 1t8d n SER 141 Cb 0.43 -0.35 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.09 -0.96 1.39 -0.43 0.00 -1.26 -5.20 120.51 111.96 1t8d n ALA 142 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.77 1t8d n ALA 142 Cb 0.00 -3.17 0.43 0.00 0.00 0.00 0.00 19.45 16.71 1t8d n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59