#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 2.00 3.60 0.23 0.00 -1.26 -4.92 105.19 104.84 1t8d n GLY 2 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1t8d n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t8d s PHE 3 N 0.00 3.24 0.29 1.61 0.40 -1.26 -5.05 117.98 117.21 1t8d s PHE 3 Ca 0.00 0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 56.54 1t8d s PHE 3 Cb 0.00 -2.76 -0.09 0.00 0.51 0.00 0.00 43.02 40.68 1t8d s PHE 3 CO 0.00 -0.34 1.07 0.08 0.70 0.00 0.00 175.22 176.73 1t8d s VAL 4 N 2.31 3.61 0.27 -0.44 1.01 -1.26 -5.00 120.40 120.90 1t8d s VAL 4 Ca 0.20 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.85 1t8d s VAL 4 Cb -0.16 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1t8d s VAL 4 CO 0.10 0.34 -0.00 0.00 0.00 0.00 0.00 175.10 175.54 1t8d n ASN 6 N -0.91 -3.73 0.00 0.00 4.13 -1.26 -4.91 115.26 108.58 1t8d n ASN 6 Ca -0.06 -0.27 0.09 0.00 1.68 0.00 0.00 54.58 56.02 1t8d n ASN 6 Cb 0.59 -2.26 0.51 0.00 -1.54 0.00 0.00 39.78 37.08 1t8d n ASN 6 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1t8d n THR 7 N -2.15 0.00 -3.59 3.41 5.66 -1.26 -3.94 114.28 112.42 1t8d n THR 7 Ca -0.03 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.70 1t8d n THR 7 Cb 0.54 -0.68 -0.09 0.00 -1.55 0.00 0.00 70.33 68.55 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 1.29 0.00 0.00 0.00 -0.04 -1.25 -4.62 135.00 130.37 1t8d n PRO 9 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1t8d n PRO 9 Cb 0.39 -0.07 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 -4.72 120.64 119.27 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 -4.69 118.16 121.52 1t8d n LYS 11 Ca 0.00 0.43 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1t8d n LYS 11 Cb 0.00 -1.12 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 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 -1.25 0.00 -3.92 2.13 7.02 -1.23 -4.57 117.44 115.61 1t8d n TRP 12 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 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 0.37 0.09 -0.99 1.01 0.39 -4.08 121.20 117.99 1t8d s ILE 13 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1t8d s ILE 13 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1t8d s ILE 13 CO 0.00 0.22 0.17 0.21 0.00 0.00 0.00 174.94 175.54 1t8d s ASN 14 N 1.45 6.00 0.00 3.58 3.84 -1.26 0.70 114.94 129.25 1t8d s ASN 14 Ca -0.03 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1t8d s ASN 14 Cb -0.13 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 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 0.17 0.00 -0.19 0.43 3.72 0.10 -4.96 117.46 116.74 1t8d n PHE 15 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 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 1.96 -0.05 0.00 0.00 176.76 178.67 1t8d h GLN 16 N 0.00 0.35 0.00 -1.08 1.08 -2.05 -3.40 115.11 110.01 1t8d h GLN 16 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1t8d h GLN 16 Cb 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1t8d h GLN 16 CO 0.00 0.23 0.00 -2.13 -0.95 0.00 0.00 178.83 175.98 1t8d n ARG 17 N -5.03 0.00 -4.30 1.46 0.00 -1.26 -5.02 116.66 102.51 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 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.63 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 0.06 -0.14 -2.85 -1.26 -2.92 119.74 114.79 1t8d s LYS 18 Ca 0.00 -1.36 0.03 0.00 -1.00 0.00 0.00 55.97 53.65 1t8d s LYS 18 Cb 0.00 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1t8d s LYS 18 CO 0.00 0.40 -0.10 0.00 0.10 0.00 0.00 175.35 175.74 1t8d s TYR 20 N -1.60 2.01 -0.34 0.00 1.51 0.22 -0.90 117.35 118.25 1t8d s TYR 20 Ca -0.04 -1.15 -0.09 0.00 -1.01 0.00 0.00 57.07 54.79 1t8d s TYR 20 Cb -0.08 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1t8d s TYR 20 CO 0.01 -0.64 0.15 1.52 -1.11 0.00 0.00 175.55 175.48 1t8d s TYR 21 N 1.54 3.22 -1.22 2.71 1.13 0.04 0.15 117.35 124.91 1t8d s TYR 21 Ca 0.04 -1.06 -0.06 0.00 -1.41 0.00 0.00 57.07 54.58 1t8d s TYR 21 Cb -0.13 -2.35 0.20 0.00 -1.10 0.00 0.00 41.96 38.57 1t8d s TYR 21 CO -0.10 -0.64 2.02 1.19 -2.51 0.00 0.00 175.55 175.51 1t8d n PHE 22 N 4.92 2.66 -1.50 -3.49 3.72 -1.26 -2.32 117.46 120.18 1t8d n PHE 22 Ca -0.13 -2.73 -0.29 0.00 -0.05 0.00 0.00 57.45 54.26 1t8d n PHE 22 Cb 0.46 -1.67 0.14 0.00 -0.94 0.00 0.00 39.48 37.47 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 -0.12 1.58 -0.05 1.37 0.00 0.22 -4.74 107.32 105.57 1t8d s GLY 23 Ca 0.44 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.70 1t8d s GLY 23 CO -0.04 0.07 -0.09 -1.59 0.00 0.00 0.00 173.10 171.44 1t8d s LYS 24 N -5.24 2.64 0.00 2.90 0.00 -1.26 0.23 119.74 119.01 1t8d s LYS 24 Ca 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.99 1t8d s LYS 24 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.17 1t8d s LYS 24 CO 0.54 0.64 0.00 0.41 0.00 0.00 0.00 175.35 176.94 1t8d n GLY 25 N 2.16 -0.36 3.76 0.59 0.00 0.24 -4.63 105.19 106.96 1t8d n GLY 25 Ca -0.17 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1t8d s THR 26 N 0.00 2.64 0.00 2.61 -1.32 -1.24 -4.01 115.64 114.33 1t8d s THR 26 Ca 0.00 0.59 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1t8d s THR 26 Cb 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1t8d s THR 26 CO 0.00 0.12 0.00 0.29 -2.21 0.00 0.00 174.62 172.82 1t8d n LYS 27 N 1.52 0.00 -3.88 7.08 5.02 -1.26 -4.98 118.16 121.65 1t8d n LYS 27 Ca 0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1t8d n LYS 27 Cb 0.41 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.34 1.38 0.01 1.97 -0.21 -1.26 -4.97 119.66 116.92 1t8d s GLN 28 Ca 0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 55.36 54.24 1t8d s GLN 28 Cb 0.00 0.38 -0.19 0.00 1.00 0.00 0.00 33.01 34.21 1t8d s GLN 28 CO 0.00 -0.65 1.41 2.35 -2.12 0.00 0.00 175.29 176.28 1t8d h TRP 29 N 2.00 -0.01 -0.60 0.91 7.01 -1.99 -2.40 115.95 120.87 1t8d h TRP 29 Ca -0.28 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 60.86 1t8d h TRP 29 Cb 1.22 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.25 1t8d h TRP 29 CO 1.39 0.33 0.41 -0.39 -2.79 0.00 0.00 178.44 177.39 1t8d h VAL 30 N -0.34 0.79 0.00 2.65 -1.51 -1.98 0.46 116.25 116.31 1t8d h VAL 30 Ca -0.00 -0.07 -0.12 0.00 -1.23 0.00 0.00 66.70 65.28 1t8d h VAL 30 Cb 0.34 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.05 1t8d h VAL 30 CO 0.00 0.04 -0.58 0.45 -1.23 0.00 0.00 177.57 176.24 1t8d h HIS 31 N 0.20 0.00 -0.02 5.19 3.86 -1.90 -1.91 115.15 120.56 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 0.86 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 1t8d h HIS 31 CO -0.00 0.58 -0.01 0.00 0.86 0.00 0.00 177.93 179.36 1t8d h ALA 32 N 1.42 0.03 -0.09 2.45 0.00 0.39 -1.33 119.26 122.13 1t8d h ALA 32 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1t8d h ALA 32 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1t8d h ALA 32 CO 0.08 -0.23 -0.11 0.07 0.00 0.00 0.00 179.25 179.06 1t8d h ARG 33 N -0.38 0.14 -0.42 0.00 0.11 -1.37 -1.34 114.38 111.11 1t8d h ARG 33 Ca 0.00 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 1t8d h ARG 33 Cb 0.47 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 1t8d h ARG 33 CO 0.00 0.25 -0.14 -0.92 0.10 0.00 0.00 179.97 179.27 1t8d h TYR 34 N 0.13 0.86 -0.67 4.08 3.20 -1.17 -2.33 116.97 121.07 1t8d h TYR 34 Ca 0.03 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 1t8d h TYR 34 Cb 0.28 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1t8d h TYR 34 CO 0.00 0.87 0.18 0.00 -1.64 0.00 0.00 178.16 177.57 1t8d h ALA 35 N 1.14 0.89 -0.09 1.82 0.00 -0.13 -2.27 119.26 120.63 1t8d h ALA 35 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1t8d h ALA 35 Cb 0.63 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1t8d h ALA 35 CO 0.04 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 1t8d h ASP 37 N -0.16 0.18 0.42 0.00 1.82 -1.17 0.37 116.42 117.89 1t8d h ASP 37 Ca 0.07 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.64 1t8d h ASP 37 Cb 0.26 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1t8d h ASP 37 CO -0.18 0.11 -0.35 -0.78 -1.61 0.00 0.00 179.24 176.43 1t8d h ASP 38 N 0.21 0.00 -0.04 2.28 1.82 -0.54 -2.54 116.42 117.61 1t8d h ASP 38 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1t8d h ASP 38 Cb 0.59 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1t8d h ASP 38 CO -0.04 0.35 0.00 0.23 -1.61 0.00 0.00 179.24 178.17 1t8d n MET 39 N -3.99 1.72 -2.32 0.28 2.81 0.27 -4.97 117.12 110.93 1t8d n MET 39 Ca -0.02 -1.68 -0.13 0.00 -1.81 0.00 0.00 57.70 54.07 1t8d n MET 39 Cb 0.40 -1.37 -0.00 0.00 -0.71 0.00 0.00 33.22 31.54 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 -1.35 0.00 0.03 1.02 0.11 -4.96 120.64 116.58 1t8d n GLU 40 Ca 0.12 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1t8d n GLU 40 Cb 0.49 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 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 -1.05 0.99 3.44 0.62 0.00 -0.00 -4.81 105.19 104.37 1t8d n GLY 41 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 3.85 1.21 -0.37 1.61 0.74 0.27 -4.70 119.66 122.27 1t8d s GLN 42 Ca 0.00 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 1t8d s GLN 42 Cb 0.00 0.56 0.01 0.00 1.10 0.00 0.00 33.01 34.68 1t8d s GLN 42 CO 0.00 -0.52 1.32 -1.17 -0.55 0.00 0.00 175.29 174.37 1t8d s LEU 43 N -2.60 3.73 0.00 3.68 2.96 -1.26 0.06 118.68 125.24 1t8d s LEU 43 Ca 0.01 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 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 -1.24 0.00 1.33 -1.32 0.00 0.00 176.35 175.01 1t8d n VAL 44 N 6.64 0.00 -3.02 1.68 0.24 -1.25 -3.05 118.33 119.58 1t8d n VAL 44 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.33 1t8d n VAL 44 Cb 0.47 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 -1.20 -2.14 0.00 0.00 176.83 173.49 1t8d n SER 45 N -0.16 -2.62 -4.58 -1.34 7.64 -1.26 -4.65 113.62 106.64 1t8d n SER 45 Ca 0.00 -0.41 -0.43 0.00 1.01 0.00 0.00 58.87 59.04 1t8d n SER 45 Cb 0.00 -3.61 -0.01 0.00 -1.01 0.00 0.00 64.21 59.58 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1t8d n ILE 46 N -3.33 2.10 -0.58 0.44 -5.35 -1.26 -4.85 119.36 106.52 1t8d n ILE 46 Ca -0.16 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1t8d n ILE 46 Cb 0.60 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 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 -0.09 0.00 -4.24 4.28 1.44 -1.26 -4.90 115.22 110.45 1t8d n HIS 47 Ca 0.10 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.47 1t8d n HIS 47 Cb 0.35 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.30 1t8d n HIS 47 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1t8d s SER 48 N -0.05 3.55 0.56 4.39 0.01 -1.26 -4.82 113.70 116.08 1t8d s SER 48 Ca 0.00 -0.53 0.36 0.00 1.31 0.00 0.00 55.95 57.09 1t8d s SER 48 Cb 0.00 -1.56 1.48 0.00 0.21 0.00 0.00 66.02 66.15 1t8d s SER 48 CO 0.00 0.03 1.71 -0.65 0.41 0.00 0.00 173.24 174.74 1t8d h PRO 49 N 7.73 0.00 -0.05 12.44 0.11 -1.99 0.47 132.00 150.71 1t8d h PRO 49 Ca -0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 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 -0.23 1.49 -0.21 0.00 0.00 178.00 179.65 1t8d h GLU 50 N 0.00 0.25 -0.27 1.05 4.81 -1.97 -1.76 114.58 116.69 1t8d h GLU 50 Ca 0.56 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1t8d h GLU 50 Cb 2.44 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.85 1t8d h GLU 50 CO -0.01 0.84 0.12 0.93 -0.73 0.00 0.00 179.01 180.16 1t8d h GLU 51 N -0.28 0.39 -0.88 1.92 5.08 -0.54 0.77 114.58 121.04 1t8d h GLU 51 Ca -0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1t8d h GLU 51 Cb 0.88 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1t8d h GLU 51 CO 0.05 0.41 0.54 -0.56 -1.00 0.00 0.00 179.01 178.44 1t8d h GLN 52 N 0.29 1.19 -0.20 2.33 -0.00 -1.24 -1.13 115.11 116.35 1t8d h GLN 52 Ca 0.09 -0.10 -0.12 0.00 -0.00 0.00 0.00 58.65 58.52 1t8d h GLN 52 Cb 0.15 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.48 27.37 1t8d h GLN 52 CO -0.01 0.83 -0.38 0.22 -0.00 0.00 0.00 178.83 179.49 1t8d h ASP 53 N 1.21 0.45 0.06 0.06 3.58 -0.95 0.76 116.42 121.60 1t8d h ASP 53 Ca 0.32 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1t8d h ASP 53 Cb -0.06 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1t8d h ASP 53 CO -0.06 0.79 -0.06 -0.26 -2.88 0.00 0.00 179.24 176.77 1t8d h PHE 54 N 0.36 -0.16 -0.06 0.28 -1.00 0.17 0.36 116.94 116.89 1t8d h PHE 54 Ca 0.04 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.64 1t8d h PHE 54 Cb 0.83 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 1t8d h PHE 54 CO 0.03 -0.10 -0.74 1.37 -1.61 0.00 0.00 178.31 177.25 1t8d h LEU 55 N -0.14 0.43 -1.10 1.54 8.10 -1.27 -1.48 115.31 121.39 1t8d h LEU 55 Ca 0.00 -0.29 0.00 0.00 0.11 0.00 0.00 57.88 57.71 1t8d h LEU 55 Cb 0.14 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 1t8d h LEU 55 CO -0.02 1.02 0.56 0.74 -4.11 0.00 0.00 178.44 176.63 1t8d h THR 56 N 0.24 1.23 0.01 0.15 2.02 -0.48 0.69 112.91 116.77 1t8d h THR 56 Ca -0.03 -0.46 -0.22 0.00 0.77 0.00 0.00 66.41 66.47 1t8d h THR 56 Cb 1.32 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1t8d h THR 56 CO 0.12 0.23 -0.95 0.50 0.37 0.00 0.00 175.52 175.79 1t8d h LYS 57 N 1.20 0.34 0.00 6.66 1.63 -0.21 -3.07 116.57 123.13 1t8d h LYS 57 Ca 0.32 -0.39 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 1t8d h LYS 57 Cb -0.10 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1t8d h LYS 57 CO -0.07 1.08 -0.28 1.25 -3.45 0.00 0.00 179.45 177.98 1t8d h HIS 58 N 0.18 0.00 -3.26 1.91 2.76 -0.21 -3.41 115.15 113.13 1t8d h HIS 58 Ca -0.08 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.54 1t8d h HIS 58 Cb 1.59 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.48 1t8d h HIS 58 CO 0.05 0.28 0.94 0.00 -1.30 0.00 0.00 177.93 177.89 1t8d s ALA 59 N -3.78 3.03 0.00 5.26 0.00 0.23 -4.80 121.76 121.71 1t8d s ALA 59 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1t8d s ALA 59 Cb 0.11 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1t8d s ALA 59 CO 0.65 -2.59 0.83 -1.13 0.00 0.00 0.00 175.76 173.53 1t8d n SER 60 N 8.28 1.63 -0.03 0.00 3.41 -1.26 -4.80 113.62 120.85 1t8d n SER 60 Ca 0.08 -1.69 -0.02 0.00 -0.26 0.00 0.00 58.87 56.99 1t8d n SER 60 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.34 0.21 0.00 7.33 -0.00 -1.26 -4.99 115.22 116.16 1t8d n HIS 61 Ca 0.00 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1t8d n HIS 61 Cb 0.19 -0.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 1t8d n HIS 61 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1t8d n THR 62 N -3.10 0.00 -2.47 3.57 -2.24 -1.26 -5.00 114.28 103.78 1t8d n THR 62 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1t8d n THR 62 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1t8d n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t8d n GLY 63 N -0.14 -1.67 3.21 3.38 0.00 -1.26 -4.68 105.19 104.04 1t8d n GLY 63 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.69 1.31 -0.11 1.61 1.04 -0.92 -3.62 113.70 110.32 1t8d s SER 64 Ca 0.00 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.34 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 -0.02 0.26 0.98 0.00 0.00 173.24 173.98 1t8d s TRP 65 N -3.57 3.07 0.37 5.02 0.51 -1.23 -1.67 118.94 121.44 1t8d s TRP 65 Ca 0.17 -0.01 0.08 0.00 -2.12 0.00 0.00 56.10 54.23 1t8d s TRP 65 Cb 0.05 -1.84 -0.06 0.00 -0.81 0.00 0.00 33.47 30.81 1t8d s TRP 65 CO -0.00 0.26 0.04 0.96 -0.51 0.00 0.00 176.95 177.70 1t8d s ILE 66 N -0.39 2.43 -0.80 2.03 -4.36 -1.25 -4.19 121.20 114.67 1t8d s ILE 66 Ca 0.07 -1.93 -0.07 0.00 -0.26 0.00 0.00 60.65 58.46 1t8d s ILE 66 Cb -0.12 -2.87 -0.13 0.00 1.25 0.00 0.00 42.46 40.59 1t8d s ILE 66 CO 0.02 -0.12 2.78 0.61 0.24 0.00 0.00 174.94 178.47 1t8d n GLY 67 N -1.01 3.31 3.07 6.27 0.00 -1.17 -4.69 105.19 110.97 1t8d n GLY 67 Ca -0.04 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 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 0.08 1.76 -0.05 0.99 1.98 -1.26 -1.88 118.68 120.30 1t8d s LEU 68 Ca 0.56 -0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.38 1t8d s LEU 68 Cb 0.19 -1.06 0.03 0.00 0.66 0.00 0.00 46.19 46.01 1t8d s LEU 68 CO -0.03 0.05 0.04 -0.60 -1.89 0.00 0.00 176.35 173.91 1t8d s ARG 69 N 0.78 0.18 -0.06 1.98 6.06 0.15 -3.34 118.95 124.70 1t8d s ARG 69 Ca -0.11 0.26 -0.07 0.00 -2.50 0.00 0.00 55.73 53.31 1t8d s ARG 69 Cb -0.16 -0.66 -0.04 0.00 0.06 0.00 0.00 34.95 34.15 1t8d s ARG 69 CO 0.02 -0.30 0.21 1.21 -2.50 0.00 0.00 175.30 173.94 1t8d s ASN 70 N 2.00 6.47 0.16 -2.12 3.84 -0.07 -0.54 114.94 124.67 1t8d s ASN 70 Ca 0.04 0.54 -0.30 0.00 0.21 0.00 0.00 52.86 53.34 1t8d s ASN 70 Cb -0.12 -2.09 -0.08 0.00 -0.55 0.00 0.00 41.25 38.41 1t8d s ASN 70 CO -0.04 0.34 1.31 -0.76 -2.79 0.00 0.00 177.10 175.16 1t8d s LEU 71 N -1.35 4.40 0.00 3.21 1.43 -1.05 -4.53 118.68 120.79 1t8d s LEU 71 Ca 0.21 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1t8d s LEU 71 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1t8d s LEU 71 CO 0.10 -0.54 0.00 0.47 0.23 0.00 0.00 176.35 176.62 1t8d n ASP 72 N 3.11 0.00 0.00 2.29 8.00 -1.26 -2.74 116.55 125.95 1t8d n ASP 72 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1t8d n ASP 72 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1t8d n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t8d n LEU 73 N 0.00 0.00 -1.20 0.64 -0.00 -1.26 -4.57 117.00 110.62 1t8d n LEU 73 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 1t8d n LEU 73 Cb 0.00 0.26 0.26 0.00 -0.00 0.00 0.00 43.42 43.94 1t8d n LEU 73 CO 0.00 -0.26 0.72 2.29 -0.00 0.00 0.00 177.39 180.15 1t8d n LYS 74 N -2.07 2.59 0.00 1.47 2.85 -1.26 -4.05 118.16 117.70 1t8d n LYS 74 Ca 0.00 -2.43 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 1t8d n LYS 74 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 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 1.48 -0.38 3.69 2.58 0.00 -1.11 -5.04 105.19 106.42 1t8d n GLY 75 Ca 0.21 -1.25 -0.34 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 2.90 -0.21 1.61 8.01 -1.26 -4.86 118.70 124.89 1t8d s GLU 76 Ca 0.00 -0.50 -0.29 0.00 0.01 0.00 0.00 54.97 54.19 1t8d s GLU 76 Cb 0.00 -2.74 0.00 0.00 -4.31 0.00 0.00 34.13 27.08 1t8d s GLU 76 CO 0.00 0.67 1.07 -0.06 0.01 0.00 0.00 175.26 176.95 1t8d s PHE 77 N -0.99 3.27 -0.00 1.61 0.40 -1.26 -2.54 117.98 118.47 1t8d s PHE 77 Ca 0.17 1.40 0.08 0.00 -0.60 0.00 0.00 56.93 57.98 1t8d s PHE 77 Cb -0.11 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 1t8d s PHE 77 CO 0.07 -0.66 -0.25 0.42 0.70 0.00 0.00 175.22 175.49 1t8d s ILE 78 N 3.17 2.14 0.54 0.64 1.01 0.30 -2.58 121.20 126.42 1t8d s ILE 78 Ca 0.46 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1t8d s ILE 78 Cb -0.16 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1t8d s ILE 78 CO 0.08 0.51 1.06 0.26 0.00 0.00 0.00 174.94 176.85 1t8d s TRP 79 N -0.68 2.96 0.58 3.97 0.52 -0.01 0.34 118.94 126.62 1t8d s TRP 79 Ca 0.11 1.54 0.28 0.00 0.02 0.00 0.00 56.10 58.05 1t8d s TRP 79 Cb -0.10 -3.06 1.74 0.00 -1.15 0.00 0.00 33.47 30.90 1t8d s TRP 79 CO 0.00 -1.04 2.21 -0.24 0.02 0.00 0.00 176.95 177.90 1t8d h VAL 80 N 0.97 0.56 0.00 4.03 3.04 -1.69 0.27 116.25 123.43 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 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 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 -3.90 0.00 -0.06 3.17 2.03 -1.26 -4.87 116.55 111.65 1t8d n ASP 81 Ca -0.02 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1t8d n ASP 81 Cb 0.14 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 0.90 0.88 2.93 0.27 0.00 0.93 -5.07 105.19 106.03 1t8d n GLY 82 Ca 0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.70 2.17 0.59 1.61 0.01 -1.22 -4.90 113.70 109.25 1t8d s SER 83 Ca 0.00 -0.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 1t8d s SER 83 Cb 0.00 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.32 1t8d s SER 83 CO 0.00 -0.10 1.05 0.00 0.41 0.00 0.00 173.24 174.61 1t8d n HIS 84 N 4.79 1.15 -1.20 2.43 1.44 -1.26 -0.83 115.22 121.73 1t8d n HIS 84 Ca -0.14 0.44 -0.35 0.00 -2.01 0.00 0.00 57.72 55.66 1t8d n HIS 84 Cb 0.50 -2.19 0.09 0.00 0.12 0.00 0.00 29.99 28.51 1t8d n HIS 84 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1t8d n VAL 85 N -1.56 1.81 -0.00 0.61 0.31 -1.06 -4.79 118.33 113.64 1t8d n VAL 85 Ca 0.13 -0.34 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1t8d n VAL 85 Cb 0.46 -0.86 -0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 -1.07 1.90 -0.04 4.52 9.92 -1.26 -4.93 116.55 125.59 1t8d n ASP 86 Ca 0.11 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.30 1t8d n ASP 86 Cb 0.50 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 1t8d n ASP 86 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1t8d n TYR 87 N -2.79 0.00 -1.42 1.24 4.02 -1.26 -5.14 117.16 111.82 1t8d n TYR 87 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.92 1t8d n TYR 87 Cb 0.51 -0.31 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 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 -2.96 -7.64 0.00 7.72 7.64 -1.26 -4.97 113.62 112.14 1t8d n SER 88 Ca -0.15 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1t8d n SER 88 Cb 0.64 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 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 -2.98 0.04 -3.97 6.43 3.02 -1.26 -5.07 115.26 111.47 1t8d n ASN 89 Ca -0.02 -0.39 -0.55 0.00 -0.03 0.00 0.00 54.58 53.59 1t8d n ASN 89 Cb 0.50 0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.07 1.06 -1.51 3.10 4.27 -1.26 -3.67 117.44 119.36 1t8d n TRP 90 Ca 0.00 0.70 -0.59 0.00 -3.89 0.00 0.00 57.50 53.73 1t8d n TRP 90 Cb 0.08 -2.14 -0.08 0.00 -1.36 0.00 0.00 31.31 27.81 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 7.08 -3.50 0.02 -1.67 0.00 0.75 -4.88 120.51 118.31 1t8d n ALA 91 Ca 0.52 0.59 -0.08 0.00 0.00 0.00 0.00 53.44 54.47 1t8d n ALA 91 Cb -0.03 -1.78 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 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 3.10 0.01 -1.30 0.00 0.13 -1.91 -3.34 132.00 128.69 1t8d h PRO 92 Ca -0.51 -0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.23 1t8d h PRO 92 Cb 1.42 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.38 1t8d h PRO 92 CO 0.66 0.76 0.49 0.41 -0.23 0.00 0.00 178.00 180.10 1t8d n GLY 93 N 1.45 4.25 2.74 1.56 0.00 -1.26 -4.66 105.19 109.27 1t8d n GLY 93 Ca -0.08 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1t8d n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t8d n GLU 94 N -0.08 2.14 -1.65 1.61 4.07 -1.26 -5.07 120.64 120.40 1t8d n GLU 94 Ca 0.37 -4.56 -0.45 0.00 -0.06 0.00 0.00 57.16 52.46 1t8d n GLU 94 Cb 0.75 -2.28 -0.04 0.00 -0.06 0.00 0.00 31.44 29.81 1t8d n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1t8d n PRO 95 N 1.56 2.43 -2.38 5.31 -0.02 -1.26 -4.93 135.00 135.71 1t8d n PRO 95 Ca 0.24 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 62.17 1t8d n PRO 95 Cb 0.37 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 1t8d n PRO 95 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1t8d s THR 96 N 4.96 3.65 -0.08 3.45 -1.32 -1.26 -4.93 115.64 120.12 1t8d s THR 96 Ca 0.93 1.34 0.11 0.00 -1.21 0.00 0.00 61.69 62.85 1t8d s THR 96 Cb -0.53 -3.86 -0.16 0.00 -1.51 0.00 0.00 72.50 66.45 1t8d s THR 96 CO 0.45 0.19 0.12 -0.24 -2.21 0.00 0.00 174.62 172.93 1t8d n SER 97 N 2.84 2.24 0.00 8.08 2.88 -1.26 -4.80 113.62 123.60 1t8d n SER 97 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1t8d n SER 97 Cb 0.45 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 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 -2.24 0.00 -3.62 -1.46 1.74 -1.26 -5.08 116.66 104.75 1t8d n ARG 98 Ca -0.13 0.21 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 1t8d n ARG 98 Cb 0.67 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 31.33 1t8d n ARG 98 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1t8d n SER 99 N -1.12 -1.85 -1.47 0.55 7.64 -1.26 -5.02 113.62 111.09 1t8d n SER 99 Ca 0.00 -2.14 -0.07 0.00 1.01 0.00 0.00 58.87 57.67 1t8d n SER 99 Cb 0.00 3.05 0.12 0.00 -1.01 0.00 0.00 64.21 66.38 1t8d n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d n GLN 100 N -0.58 2.04 -2.71 1.43 6.02 -1.26 -4.90 117.38 117.41 1t8d n GLN 100 Ca -0.05 -1.51 -0.43 0.00 -0.01 0.00 0.00 57.00 55.01 1t8d n GLN 100 Cb 0.54 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1t8d n GLN 100 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1t8d s GLY 101 N -0.21 2.04 -0.29 1.08 0.00 -1.26 -4.57 107.32 104.11 1t8d s GLY 101 Ca 0.28 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.20 1t8d s GLY 101 CO 0.06 1.99 0.58 -1.83 0.00 0.00 0.00 173.10 173.91 1t8d s GLU 102 N 2.54 0.54 0.00 2.90 -1.05 -1.26 -1.20 118.70 121.18 1t8d s GLU 102 Ca 0.45 1.05 0.04 0.00 -0.15 0.00 0.00 54.97 56.36 1t8d s GLU 102 Cb -0.17 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1t8d s GLU 102 CO 0.12 -0.53 0.41 -3.47 0.95 0.00 0.00 175.26 172.74 1t8d n ASP 103 N 5.43 0.80 -3.74 0.83 2.03 -1.25 -4.03 116.55 116.63 1t8d n ASP 103 Ca -0.04 -0.90 -0.09 0.00 0.52 0.00 0.00 54.79 54.28 1t8d n ASP 103 Cb 0.50 0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 41.33 1t8d n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8d s VAL 105 N -3.88 2.47 0.40 0.00 1.01 -1.21 -2.07 120.40 117.12 1t8d s VAL 105 Ca 0.09 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1t8d s VAL 105 Cb -0.03 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1t8d s VAL 105 CO -0.00 0.56 0.03 0.00 0.00 0.00 0.00 175.10 175.69 1t8d s MET 106 N -0.09 2.00 -0.09 2.72 0.23 -0.24 -3.84 119.30 119.99 1t8d s MET 106 Ca -0.04 -2.02 0.03 0.00 -1.03 0.00 0.00 55.69 52.62 1t8d s MET 106 Cb -0.14 -1.72 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1t8d s MET 106 CO 0.04 -0.03 -0.19 1.41 -2.03 0.00 0.00 175.02 174.22 1t8d s MET 107 N -3.73 2.55 0.00 3.16 1.75 -0.67 0.70 119.30 123.05 1t8d s MET 107 Ca 0.36 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 1t8d s MET 107 Cb 0.07 -1.99 0.00 0.00 2.84 0.00 0.00 34.83 35.76 1t8d s MET 107 CO 0.19 0.10 0.00 2.89 -0.65 0.00 0.00 175.02 177.55 1t8d n ARG 108 N 3.70 -0.61 -1.84 4.11 -4.01 -0.93 -2.16 116.66 114.92 1t8d n ARG 108 Ca -0.20 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.61 1t8d n ARG 108 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1t8d n GLY 109 N -0.36 -5.14 5.12 2.89 0.00 -1.26 -4.21 105.19 102.23 1t8d n GLY 109 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.60 0.00 0.00 1.61 7.64 -1.26 -3.41 113.62 119.80 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 0.07 -4.02 1.61 0.00 -1.22 -4.74 116.66 108.36 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 1.44 2.94 -0.07 2.89 0.52 -1.24 -2.19 118.94 123.22 1t8d s TRP 113 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 56.10 55.87 1t8d s TRP 113 Cb 0.00 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1t8d s TRP 113 CO 0.00 0.39 0.12 -0.80 0.02 0.00 0.00 176.95 176.67 1t8d s ASN 114 N -3.88 0.88 -0.46 2.95 -0.87 0.22 -0.18 114.94 113.59 1t8d s ASN 114 Ca 0.36 0.23 -0.22 0.00 -1.57 0.00 0.00 52.86 51.67 1t8d s ASN 114 Cb -0.06 0.11 0.03 0.00 -0.02 0.00 0.00 41.25 41.31 1t8d s ASN 114 CO 0.25 -0.24 0.73 -0.62 -2.57 0.00 0.00 177.10 174.64 1t8d s ASP 115 N 2.21 6.35 0.16 -1.22 2.15 -1.26 -1.08 116.67 123.98 1t8d s ASP 115 Ca 0.03 -0.30 -0.19 0.00 0.43 0.00 0.00 52.55 52.52 1t8d s ASP 115 Cb -0.12 -2.36 0.05 0.00 -0.30 0.00 0.00 42.92 40.19 1t8d s ASP 115 CO -0.05 -0.89 0.52 0.00 -0.17 0.00 0.00 175.17 174.58 1t8d s ALA 116 N 3.11 -1.22 0.98 3.66 0.00 -0.88 -4.86 121.76 122.55 1t8d s ALA 116 Ca 0.26 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1t8d s ALA 116 Cb -0.14 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1t8d s ALA 116 CO 0.20 -0.74 0.16 0.34 0.00 0.00 0.00 175.76 175.72 1t8d n PHE 117 N -0.32 -1.90 -1.52 0.00 7.35 -0.34 -3.13 117.46 117.60 1t8d n PHE 117 Ca -0.15 0.20 -0.41 0.00 -0.76 0.00 0.00 57.45 56.32 1t8d n PHE 117 Cb 0.64 -1.70 -0.02 0.00 0.35 0.00 0.00 39.48 38.75 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1t8d n ASP 119 N 6.10 -1.60 0.00 0.00 8.00 -1.26 -4.86 116.55 122.92 1t8d n ASP 119 Ca 0.54 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1t8d n ASP 119 Cb 0.37 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1t8d n ARG 120 N 0.83 0.00 -2.66 -1.24 3.00 -1.26 -5.09 116.66 110.24 1t8d n ARG 120 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1t8d n ARG 120 Cb 0.72 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.28 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 0.00 0.10 -1.36 -0.14 0.00 -1.26 -5.17 118.16 110.33 1t8d n LYS 121 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 58.31 57.57 1t8d n LYS 121 Cb 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 35.03 34.94 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 1.01 0.00 -0.18 3.14 4.32 -1.26 -4.77 117.00 119.26 1t8d n LEU 122 Ca -0.03 -0.84 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 1t8d n LEU 122 Cb 0.74 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1t8d n LEU 122 CO -0.13 -0.72 0.09 0.61 -1.22 0.00 0.00 177.39 176.02 1t8d n GLY 123 N 1.81 0.46 3.17 -0.72 0.00 -1.26 -4.60 105.19 104.05 1t8d n GLY 123 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.79 -0.17 4.61 0.00 -1.24 -0.59 121.76 123.58 1t8d s ALA 124 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1t8d s ALA 124 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1t8d s ALA 124 CO 0.00 -0.21 0.02 1.67 0.00 0.00 0.00 175.76 177.24 1t8d s TRP 125 N 1.08 3.16 -0.06 0.00 1.48 0.14 -3.53 118.94 121.20 1t8d s TRP 125 Ca -0.07 -0.07 0.02 0.00 -1.06 0.00 0.00 56.10 54.92 1t8d s TRP 125 Cb -0.08 -2.02 0.02 0.00 -1.16 0.00 0.00 33.47 30.22 1t8d s TRP 125 CO -0.08 0.09 -0.10 0.54 -4.06 0.00 0.00 176.95 173.34 1t8d s VAL 126 N 0.32 0.98 0.11 -0.66 0.11 -1.26 -0.61 120.40 119.39 1t8d s VAL 126 Ca 0.00 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 1t8d s VAL 126 Cb -0.13 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1t8d s VAL 126 CO 0.01 0.32 0.04 0.00 -3.33 0.00 0.00 175.10 172.14 1t8d s ASP 128 N -3.01 2.35 0.15 0.00 -4.77 0.11 -0.78 116.67 110.72 1t8d s ASP 128 Ca 0.19 -0.50 -0.16 0.00 -3.30 0.00 0.00 52.55 48.78 1t8d s ASP 128 Cb 0.08 -0.20 0.03 0.00 -1.09 0.00 0.00 42.92 41.74 1t8d s ASP 128 CO -0.02 0.15 0.44 0.00 0.70 0.00 0.00 175.17 176.44 1t8d s ARG 129 N -1.10 1.18 0.13 2.11 1.70 -0.07 0.95 118.95 123.85 1t8d s ARG 129 Ca 0.07 -0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 1t8d s ARG 129 Cb -0.09 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.71 1t8d s ARG 129 CO 0.01 -0.48 1.18 -0.51 -1.08 0.00 0.00 175.30 174.43 1t8d s LEU 130 N -2.83 4.43 1.21 -1.89 1.43 -1.26 0.08 118.68 119.84 1t8d s LEU 130 Ca 0.06 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1t8d s LEU 130 Cb 0.01 -3.59 0.24 0.00 0.03 0.00 0.00 46.19 42.88 1t8d s LEU 130 CO -0.08 -0.38 0.55 0.00 0.23 0.00 0.00 176.35 176.66 1t8d n ALA 131 N 3.06 -3.44 -1.90 4.21 0.00 -1.15 -4.84 120.51 116.44 1t8d n ALA 131 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1t8d n ALA 131 Cb 0.46 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1t8d n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1t8d n THR 132 N -4.97 0.00 -4.70 0.00 -2.24 -1.26 -5.01 114.28 96.09 1t8d n THR 132 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1t8d n THR 132 Cb 0.54 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1t8d n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t8d s THR 134 N 0.00 4.39 -0.08 0.00 -4.23 -1.26 -5.08 115.64 109.38 1t8d s THR 134 Ca 0.00 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 1t8d s THR 134 Cb 0.00 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1t8d s THR 134 CO 0.00 0.46 1.49 -2.16 -0.54 0.00 0.00 174.62 173.87 1t8d s PRO 135 N -1.33 4.21 -0.77 3.99 0.04 -1.26 -4.93 135.00 134.95 1t8d s PRO 135 Ca 0.18 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 1t8d s PRO 135 Cb -0.12 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1t8d s PRO 135 CO 0.08 -0.76 1.93 -1.25 0.04 0.00 0.00 177.00 177.04 1t8d s PRO 136 N 3.62 2.56 -0.41 0.56 0.04 -1.26 -4.81 135.00 135.29 1t8d s PRO 136 Ca 0.66 0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.91 1t8d s PRO 136 Cb -0.29 -4.77 0.29 0.00 0.04 0.00 0.00 34.50 29.77 1t8d s PRO 136 CO 0.24 -3.13 0.64 0.00 0.04 0.00 0.00 177.00 174.79 1t8d n ALA 137 N 13.59 2.46 -2.56 8.56 0.00 -1.26 -5.11 120.51 136.19 1t8d n ALA 137 Ca 0.32 -3.54 -0.34 0.00 0.00 0.00 0.00 53.44 49.88 1t8d n ALA 137 Cb 0.49 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1t8d n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1t8d s SER 138 N -1.87 6.63 -0.39 0.00 0.01 -1.26 -5.03 113.70 111.79 1t8d s SER 138 Ca 0.38 0.80 -0.29 0.00 1.31 0.00 0.00 55.95 58.15 1t8d s SER 138 Cb 0.25 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 64.31 1t8d s SER 138 CO -0.09 0.13 1.39 -1.61 0.41 0.00 0.00 173.24 173.46 1t8d s GLU 139 N -2.11 3.65 0.00 12.44 2.02 -1.26 -4.47 118.70 128.97 1t8d s GLU 139 Ca 0.36 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.35 1t8d s GLU 139 Cb -0.13 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1t8d s GLU 139 CO 0.19 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.41 1t8d n GLY 140 N 4.91 0.71 7.00 -1.39 0.00 -1.26 -5.06 105.19 110.10 1t8d n GLY 140 Ca 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1t8d n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8d n SER 141 N 1.34 -2.73 -4.20 1.61 7.64 -1.26 -4.28 113.62 111.74 1t8d n SER 141 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1t8d n SER 141 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d s ALA 142 N -1.81 3.77 0.00 -0.43 0.00 -1.26 -5.20 121.76 116.83 1t8d s ALA 142 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 48.73 1t8d s ALA 142 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1t8d s ALA 142 CO 0.00 -2.16 0.00 -1.91 0.00 0.00 0.00 175.76 171.69