#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8d s GLY 2 N 0.00 0.60 0.25 0.23 0.00 -1.26 -5.14 107.32 102.00 1t8d s GLY 2 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 43.97 1t8d s GLY 2 CO 0.00 -0.36 0.85 -0.12 0.00 0.00 0.00 173.10 173.47 1t8d s PHE 3 N -0.17 3.80 0.00 1.90 5.36 -1.26 -5.07 117.98 122.54 1t8d s PHE 3 Ca 0.03 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1t8d s PHE 3 Cb -0.06 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1t8d s PHE 3 CO -0.00 0.36 0.00 1.33 -1.46 0.00 0.00 175.22 175.45 1t8d n VAL 4 N 1.04 0.00 0.00 3.12 0.24 -1.26 -5.07 118.33 116.40 1t8d n VAL 4 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1t8d n VAL 4 Cb 0.49 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1t8d n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8d n ASN 6 N -0.79 -1.37 0.24 0.00 4.13 -1.24 -5.00 115.26 111.24 1t8d n ASN 6 Ca 0.00 -2.09 0.16 0.00 1.68 0.00 0.00 54.58 54.34 1t8d n ASN 6 Cb 0.00 1.23 0.70 0.00 -1.54 0.00 0.00 39.78 40.17 1t8d n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t8d h THR 7 N 0.84 0.00 -3.32 3.41 1.03 -1.93 -3.39 112.91 109.55 1t8d h THR 7 Ca -0.29 -0.34 -0.76 0.00 -0.01 0.00 0.00 66.41 65.02 1t8d h THR 7 Cb 1.20 1.24 -0.26 0.00 -1.07 0.00 0.00 68.15 69.26 1t8d h THR 7 CO 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 175.52 175.33 1t8d n PRO 9 N 4.82 0.00 -3.90 0.00 -0.04 -1.26 -4.77 135.00 129.85 1t8d n PRO 9 Ca -0.06 0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1t8d n PRO 9 Cb 0.42 -0.43 -0.08 0.00 -0.04 0.00 0.00 33.50 33.37 1t8d n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1t8d s GLU 10 N -0.49 3.77 0.00 0.54 2.12 -1.26 -4.71 118.70 118.66 1t8d s GLU 10 Ca 0.00 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1t8d s GLU 10 Cb 0.00 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1t8d s GLU 10 CO 0.00 0.50 0.00 1.63 -0.54 0.00 0.00 175.26 176.85 1t8d n LYS 11 N 2.85 0.00 -1.39 4.30 5.02 -1.26 -4.86 118.16 122.82 1t8d n LYS 11 Ca -0.18 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.57 1t8d n LYS 11 Cb 0.53 0.00 -0.07 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 0.54 -4.39 2.13 8.01 -1.26 -4.53 117.44 117.93 1t8d n TRP 12 Ca 0.00 0.98 -0.26 0.00 -1.31 0.00 0.00 57.50 56.91 1t8d n TRP 12 Cb 0.00 -1.93 -0.17 0.00 -2.01 0.00 0.00 31.31 27.20 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 -0.05 1.17 0.11 -0.99 1.01 0.13 -4.21 121.20 118.37 1t8d s ILE 13 Ca 0.83 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1t8d s ILE 13 Cb -1.16 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1t8d s ILE 13 CO 0.53 0.37 0.13 0.21 0.00 0.00 0.00 174.94 176.18 1t8d s ASN 14 N 0.98 5.72 0.00 3.58 3.84 -1.26 0.83 114.94 128.63 1t8d s ASN 14 Ca -0.08 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.00 1t8d s ASN 14 Cb -0.15 -1.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.97 1t8d s ASN 14 CO -0.00 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.93 1t8d n PHE 15 N 0.11 0.00 -0.21 0.43 3.72 0.14 -4.96 117.46 116.70 1t8d n PHE 15 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1t8d n PHE 15 Cb 0.53 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.17 0.00 -1.08 1.08 -2.04 -3.40 115.11 109.84 1t8d h GLN 16 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1t8d h GLN 16 Cb 0.00 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1t8d h GLN 16 CO 0.00 0.11 0.00 -2.13 -0.95 0.00 0.00 178.83 175.86 1t8d n ARG 17 N -5.22 0.00 -4.29 1.46 0.00 -1.26 -4.99 116.66 102.35 1t8d n ARG 17 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.69 1t8d n ARG 17 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.73 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 0.20 -0.14 -2.85 -1.26 -2.32 119.74 115.53 1t8d s LYS 18 Ca 0.00 -1.34 0.05 0.00 -1.00 0.00 0.00 55.97 53.68 1t8d s LYS 18 Cb 0.00 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.56 1t8d s LYS 18 CO 0.00 0.40 -0.06 0.00 0.10 0.00 0.00 175.35 175.79 1t8d s TYR 20 N -3.31 1.87 -0.21 0.00 1.51 0.24 -1.36 117.35 116.09 1t8d s TYR 20 Ca 0.23 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1t8d s TYR 20 Cb 0.04 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1t8d s TYR 20 CO 0.06 0.31 -0.11 0.71 -1.11 0.00 0.00 175.55 175.41 1t8d s TYR 21 N -1.76 2.91 -0.42 2.71 2.02 0.62 -0.70 117.35 122.73 1t8d s TYR 21 Ca 0.14 -1.38 0.09 0.00 -0.37 0.00 0.00 57.07 55.55 1t8d s TYR 21 Cb -0.07 -2.02 0.41 0.00 -0.40 0.00 0.00 41.96 39.88 1t8d s TYR 21 CO 0.06 -0.70 1.01 1.19 -1.57 0.00 0.00 175.55 175.54 1t8d n PHE 22 N 4.69 2.63 -2.39 2.71 3.72 -1.26 -1.55 117.46 126.01 1t8d n PHE 22 Ca -0.19 -3.24 -0.24 0.00 -0.05 0.00 0.00 57.45 53.73 1t8d n PHE 22 Cb 0.50 -0.26 0.07 0.00 -0.94 0.00 0.00 39.48 38.84 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 -3.32 1.75 -0.12 1.37 0.00 -0.46 -4.66 107.32 101.88 1t8d s GLY 23 Ca 0.42 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1t8d s GLY 23 CO -0.11 -0.78 0.04 -1.59 0.00 0.00 0.00 173.10 170.66 1t8d s LYS 24 N -5.08 3.39 0.00 2.90 -2.85 -1.26 0.58 119.74 117.41 1t8d s LYS 24 Ca 0.60 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 1t8d s LYS 24 Cb -0.10 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 1t8d s LYS 24 CO 0.43 0.57 0.00 0.41 0.10 0.00 0.00 175.35 176.85 1t8d n GLY 25 N 2.59 -0.70 7.00 0.59 0.00 -1.23 -4.72 105.19 108.72 1t8d n GLY 25 Ca -0.18 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 9.00 0.00 -1.49 2.61 -2.24 -1.26 -3.96 114.28 116.94 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 -0.87 0.00 -4.05 -0.78 5.02 -1.26 -4.90 118.16 111.32 1t8d n LYS 27 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1t8d n LYS 27 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.00 1.18 0.04 1.97 -0.21 -1.26 -4.66 119.66 116.72 1t8d s GLN 28 Ca 0.00 -1.32 -0.24 0.00 0.02 0.00 0.00 55.36 53.81 1t8d s GLN 28 Cb 0.00 0.35 -0.17 0.00 1.00 0.00 0.00 33.01 34.18 1t8d s GLN 28 CO 0.00 -0.42 1.53 2.35 -2.12 0.00 0.00 175.29 176.63 1t8d h TRP 29 N 2.58 -0.01 -0.56 0.91 7.01 -1.98 -2.48 115.95 121.42 1t8d h TRP 29 Ca -0.32 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 60.81 1t8d h TRP 29 Cb 1.23 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.26 1t8d h TRP 29 CO 0.40 0.21 0.39 -0.39 -2.79 0.00 0.00 178.44 176.26 1t8d h VAL 30 N -0.22 0.79 0.00 2.65 -1.51 -1.99 0.37 116.25 116.34 1t8d h VAL 30 Ca -0.00 -0.05 -0.10 0.00 -1.23 0.00 0.00 66.70 65.32 1t8d h VAL 30 Cb 0.22 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 1t8d h VAL 30 CO 0.00 0.03 -0.47 0.45 -1.23 0.00 0.00 177.57 176.35 1t8d h HIS 31 N 0.16 0.00 -0.03 5.19 3.86 -1.87 -2.38 115.15 120.07 1t8d h HIS 31 Ca 0.27 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1t8d h HIS 31 Cb 0.85 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1t8d h HIS 31 CO -0.00 0.47 -0.05 0.00 0.86 0.00 0.00 177.93 179.21 1t8d h ALA 32 N 1.53 0.04 -0.86 2.45 0.00 0.15 -1.83 119.26 120.75 1t8d h ALA 32 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1t8d h ALA 32 CO 0.06 -0.15 0.50 0.07 0.00 0.00 0.00 179.25 179.74 1t8d h ARG 33 N -0.43 1.18 -0.36 0.00 -0.00 -1.44 -0.64 114.38 112.68 1t8d h ARG 33 Ca 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 59.98 59.83 1t8d h ARG 33 Cb 0.60 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1t8d h ARG 33 CO 0.01 0.83 0.05 -0.92 -0.00 0.00 0.00 179.97 179.94 1t8d h TYR 34 N 1.19 0.56 -0.40 4.08 5.03 -1.42 -1.36 116.97 124.66 1t8d h TYR 34 Ca 0.31 -0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.47 1t8d h TYR 34 Cb -0.03 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 1t8d h TYR 34 CO 0.01 0.52 -0.17 0.00 -1.32 0.00 0.00 178.16 177.19 1t8d h ALA 35 N 1.53 0.95 -0.14 1.82 0.00 -0.28 -2.65 119.26 120.49 1t8d h ALA 35 Ca 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1t8d h ALA 35 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1t8d h ALA 35 CO 0.00 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.87 1t8d h ASP 37 N 0.06 0.52 0.63 0.00 5.19 -1.21 0.62 116.42 122.23 1t8d h ASP 37 Ca 0.07 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 1t8d h ASP 37 Cb 0.07 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1t8d h ASP 37 CO -0.10 0.31 -0.27 -0.78 -3.12 0.00 0.00 179.24 175.28 1t8d h ASP 38 N 0.58 0.00 -0.01 6.45 1.82 -0.91 -2.37 116.42 121.99 1t8d h ASP 38 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1t8d h ASP 38 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1t8d h ASP 38 CO -0.11 0.27 -0.58 0.23 -1.61 0.00 0.00 179.24 177.44 1t8d n MET 39 N -3.63 0.97 -2.89 0.28 2.81 0.60 -4.98 117.12 110.28 1t8d n MET 39 Ca -0.01 -0.80 -0.11 0.00 -1.81 0.00 0.00 57.70 54.97 1t8d n MET 39 Cb 0.39 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.47 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 -0.32 -4.08 0.00 0.03 1.02 0.18 -4.93 120.64 112.55 1t8d n GLU 40 Ca 0.08 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1t8d n GLU 40 Cb 0.44 -4.55 0.00 0.00 -0.02 0.00 0.00 31.44 27.32 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 -1.10 3.73 3.44 0.62 0.00 -0.45 -4.60 105.19 106.83 1t8d n GLY 41 Ca -0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 3.64 1.26 -0.37 1.61 0.74 0.26 -4.74 119.66 122.06 1t8d s GLN 42 Ca 0.00 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 1t8d s GLN 42 Cb 0.00 0.57 0.01 0.00 1.10 0.00 0.00 33.01 34.69 1t8d s GLN 42 CO 0.00 -0.55 1.33 -1.17 -0.55 0.00 0.00 175.29 174.34 1t8d s LEU 43 N -2.73 3.72 0.00 3.68 2.96 -1.26 0.19 118.68 125.23 1t8d s LEU 43 Ca 0.02 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 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 -0.12 -1.26 0.00 1.33 -1.32 0.00 0.00 176.35 174.98 1t8d n VAL 44 N 6.67 0.00 -2.90 1.68 0.24 -1.25 -3.06 118.33 119.71 1t8d n VAL 44 Ca 0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.34 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 -3.09 -4.56 -1.34 7.64 -1.26 -4.65 113.62 106.20 1t8d n SER 45 Ca 0.00 -0.45 -0.44 0.00 1.01 0.00 0.00 58.87 58.99 1t8d n SER 45 Cb 0.00 -3.74 -0.01 0.00 -1.01 0.00 0.00 64.21 59.45 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 -3.02 2.02 -0.43 0.44 -0.00 -1.26 -4.85 119.36 112.26 1t8d n ILE 46 Ca -0.15 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.10 1t8d n ILE 46 Cb 0.61 -0.89 0.00 0.00 -0.00 0.00 0.00 39.64 39.36 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 0.04 0.00 -4.44 4.28 1.44 -1.26 -4.89 115.22 110.38 1t8d n HIS 47 Ca 0.10 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.49 1t8d n HIS 47 Cb 0.33 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 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 -0.12 3.04 0.57 4.39 0.01 -1.26 -4.83 113.70 115.50 1t8d s SER 48 Ca 0.00 -0.60 0.35 0.00 1.31 0.00 0.00 55.95 57.01 1t8d s SER 48 Cb 0.00 -1.41 1.46 0.00 0.21 0.00 0.00 66.02 66.28 1t8d s SER 48 CO 0.00 0.04 1.72 -0.65 0.41 0.00 0.00 173.24 174.76 1t8d h PRO 49 N 7.57 0.00 -0.06 12.44 0.11 -1.99 0.46 132.00 150.53 1t8d h PRO 49 Ca -0.37 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1t8d h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t8d h PRO 49 CO 0.58 0.00 -0.26 1.49 -0.21 0.00 0.00 178.00 179.60 1t8d h GLU 50 N 0.00 0.27 -0.27 1.05 4.81 -1.98 -1.98 114.58 116.49 1t8d h GLU 50 Ca 0.52 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1t8d h GLU 50 Cb 2.33 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.74 1t8d h GLU 50 CO -0.01 0.86 0.11 0.93 -0.73 0.00 0.00 179.01 180.18 1t8d h GLU 51 N -0.25 0.39 -0.81 1.92 4.39 -0.57 0.59 114.58 120.24 1t8d h GLU 51 Ca -0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1t8d h GLU 51 Cb 0.91 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1t8d h GLU 51 CO 0.05 0.41 0.53 -0.56 -1.16 0.00 0.00 179.01 178.29 1t8d h GLN 52 N 0.28 1.04 -0.24 2.33 -0.00 -1.22 -0.91 115.11 116.39 1t8d h GLN 52 Ca 0.09 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.56 1t8d h GLN 52 Cb 0.16 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.48 27.39 1t8d h GLN 52 CO -0.01 0.69 -0.34 0.22 -0.00 0.00 0.00 178.83 179.40 1t8d h ASP 53 N 1.08 0.53 0.13 0.06 3.58 -1.03 0.58 116.42 121.34 1t8d h ASP 53 Ca 0.30 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1t8d h ASP 53 Cb -0.10 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.81 1t8d h ASP 53 CO -0.08 0.83 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.79 1t8d h PHE 54 N 0.44 -0.17 -0.07 0.28 0.04 0.14 0.16 116.94 117.75 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 0.80 0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1t8d h PHE 54 CO 0.03 -0.11 -0.80 1.37 -0.60 0.00 0.00 178.31 178.20 1t8d h LEU 55 N -0.18 0.61 -1.11 1.54 8.10 -1.19 -1.32 115.31 121.77 1t8d h LEU 55 Ca -0.02 -0.43 0.00 0.00 0.11 0.00 0.00 57.88 57.55 1t8d h LEU 55 Cb 0.14 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.14 1t8d h LEU 55 CO 0.02 1.20 0.57 0.74 -4.11 0.00 0.00 178.44 176.85 1t8d h THR 56 N 0.33 1.23 0.00 0.15 2.02 -0.70 0.90 112.91 116.84 1t8d h THR 56 Ca -0.05 -0.45 -0.22 0.00 0.77 0.00 0.00 66.41 66.46 1t8d h THR 56 Cb 1.41 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1t8d h THR 56 CO 0.15 0.23 -0.92 0.50 0.37 0.00 0.00 175.52 175.84 1t8d h LYS 57 N 1.20 0.35 0.00 6.66 1.63 -0.63 -3.07 116.57 122.70 1t8d h LYS 57 Ca 0.32 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1t8d h LYS 57 Cb -0.11 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1t8d h LYS 57 CO -0.07 1.06 -0.19 1.25 -3.45 0.00 0.00 179.45 178.05 1t8d h HIS 58 N 0.19 0.00 -1.22 1.91 2.76 -0.27 -3.44 115.15 115.09 1t8d h HIS 58 Ca -0.07 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.57 1t8d h HIS 58 Cb 1.55 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.50 1t8d h HIS 58 CO 0.05 0.19 1.59 0.00 -1.30 0.00 0.00 177.93 178.46 1t8d n ALA 59 N -2.18 0.89 -0.10 5.26 0.00 0.30 -4.81 120.51 119.87 1t8d n ALA 59 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1t8d n ALA 59 Cb 0.47 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 1t8d n ALA 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1t8d h SER 60 N 15.85 0.38 -0.24 0.00 0.87 -1.87 -1.52 113.55 127.03 1t8d h SER 60 Ca -0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1t8d h SER 60 Cb 1.29 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1t8d h SER 60 CO 1.14 0.32 0.00 1.41 -0.53 0.00 0.00 176.83 179.17 1t8d n HIS 61 N -4.83 0.61 -3.60 2.24 8.25 -1.26 -4.88 115.22 111.75 1t8d n HIS 61 Ca -0.01 -0.23 -0.22 0.00 -0.26 0.00 0.00 57.72 57.00 1t8d n HIS 61 Cb 0.05 -0.15 0.07 0.00 1.12 0.00 0.00 29.99 31.07 1t8d n HIS 61 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1t8d n THR 62 N 0.26 -4.19 -3.65 1.59 -1.04 -0.57 -4.77 114.28 101.90 1t8d n THR 62 Ca 0.10 -0.27 0.01 0.00 -2.04 0.00 0.00 64.05 61.85 1t8d n THR 62 Cb 0.46 -4.15 -0.06 0.00 -1.82 0.00 0.00 70.33 64.75 1t8d n THR 62 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1t8d s GLY 63 N -3.87 0.58 0.15 3.41 0.00 -1.24 -4.35 107.32 101.99 1t8d s GLY 63 Ca 0.29 3.78 0.02 0.00 0.00 0.00 0.00 44.72 48.81 1t8d s GLY 63 CO 0.76 2.56 -0.04 -0.56 0.00 0.00 0.00 173.10 175.82 1t8d s SER 64 N 0.78 1.31 -0.17 1.64 0.01 -1.26 -3.88 113.70 112.12 1t8d s SER 64 Ca -0.04 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.05 1t8d s SER 64 Cb -0.03 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1t8d s SER 64 CO -0.11 -0.49 0.07 0.26 0.41 0.00 0.00 173.24 173.38 1t8d s TRP 65 N -3.58 3.31 0.38 2.43 0.51 -1.24 -3.58 118.94 117.15 1t8d s TRP 65 Ca 0.19 0.17 0.08 0.00 -2.12 0.00 0.00 56.10 54.42 1t8d s TRP 65 Cb 0.05 -2.05 -0.05 0.00 -0.81 0.00 0.00 33.47 30.61 1t8d s TRP 65 CO 0.01 0.27 0.12 0.96 -0.51 0.00 0.00 176.95 177.80 1t8d s ILE 66 N 0.08 2.55 -0.70 2.03 -4.36 -1.26 -4.22 121.20 115.33 1t8d s ILE 66 Ca 0.06 -1.79 -0.06 0.00 -0.26 0.00 0.00 60.65 58.60 1t8d s ILE 66 Cb -0.12 -2.93 -0.14 0.00 1.25 0.00 0.00 42.46 40.52 1t8d s ILE 66 CO 0.00 -0.10 2.74 0.61 0.24 0.00 0.00 174.94 178.43 1t8d n GLY 67 N -1.13 3.18 3.06 6.27 0.00 -1.17 -4.69 105.19 110.71 1t8d n GLY 67 Ca -0.03 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 0.07 1.72 -0.04 0.99 1.98 -1.26 -1.87 118.68 120.27 1t8d s LEU 68 Ca 0.54 -0.42 -0.02 0.00 -2.89 0.00 0.00 54.13 51.34 1t8d s LEU 68 Cb 0.19 -1.07 0.03 0.00 0.66 0.00 0.00 46.19 46.00 1t8d s LEU 68 CO -0.03 0.02 0.07 -0.60 -1.89 0.00 0.00 176.35 173.92 1t8d s ARG 69 N 0.94 -0.06 0.45 1.98 3.00 0.12 -3.63 118.95 121.74 1t8d s ARG 69 Ca -0.08 0.38 -0.23 0.00 -1.00 0.00 0.00 55.73 54.80 1t8d s ARG 69 Cb -0.15 -0.44 -0.08 0.00 0.00 0.00 0.00 34.95 34.28 1t8d s ARG 69 CO -0.01 -0.30 1.12 -0.80 0.00 0.00 0.00 175.30 175.31 1t8d s ASN 70 N 2.02 6.33 0.54 -2.12 -0.87 -1.18 -1.54 114.94 118.12 1t8d s ASN 70 Ca 0.03 2.20 0.29 0.00 -1.57 0.00 0.00 52.86 53.80 1t8d s ASN 70 Cb -0.12 -2.59 1.52 0.00 -0.02 0.00 0.00 41.25 40.04 1t8d s ASN 70 CO -0.03 -0.80 2.09 -0.07 -2.57 0.00 0.00 177.10 175.72 1t8d h LEU 71 N 2.11 0.00 0.00 0.60 3.38 -1.82 -3.44 115.31 116.14 1t8d h LEU 71 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1t8d h LEU 71 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1t8d h LEU 71 CO 0.61 0.10 0.00 -0.67 0.09 0.00 0.00 178.44 178.56 1t8d n ASP 72 N -3.57 0.00 0.00 -0.43 -0.08 -1.26 -5.04 116.55 106.17 1t8d n ASP 72 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1t8d n ASP 72 Cb 0.23 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1t8d n ASP 72 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1t8d n LEU 73 N -1.36 0.00 -1.20 -2.67 7.94 -1.26 -4.72 117.00 113.73 1t8d n LEU 73 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1t8d n LEU 73 Cb 0.00 0.18 0.26 0.00 0.53 0.00 0.00 43.42 44.39 1t8d n LEU 73 CO 0.00 -0.29 0.73 2.29 -1.11 0.00 0.00 177.39 179.00 1t8d n LYS 74 N -1.87 2.61 0.00 1.96 2.85 -1.26 -4.86 118.16 117.59 1t8d n LYS 74 Ca 0.00 -2.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 1t8d n LYS 74 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 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 1.47 -1.21 3.06 2.58 0.00 -1.26 -4.99 105.19 104.83 1t8d n GLY 75 Ca 0.21 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 1.89 -0.10 1.61 2.02 -1.26 -5.02 118.70 117.85 1t8d s GLU 76 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 1t8d s GLU 76 Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1t8d s GLU 76 CO 0.00 0.07 1.43 -0.06 0.02 0.00 0.00 175.26 176.72 1t8d s PHE 77 N 0.56 2.52 -0.01 1.61 0.40 -1.26 -2.44 117.98 119.36 1t8d s PHE 77 Ca -0.14 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 56.93 1t8d s PHE 77 Cb -0.16 -3.69 -0.02 0.00 0.51 0.00 0.00 43.02 39.67 1t8d s PHE 77 CO 0.04 -2.64 -0.24 0.42 0.70 0.00 0.00 175.22 173.51 1t8d s ILE 78 N 3.51 2.23 0.54 0.64 1.01 -0.59 -2.57 121.20 125.96 1t8d s ILE 78 Ca 0.63 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 1t8d s ILE 78 Cb -0.28 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 1t8d s ILE 78 CO 0.22 0.53 1.05 0.26 0.00 0.00 0.00 174.94 177.00 1t8d s TRP 79 N -0.67 3.01 0.59 3.97 0.52 -0.25 0.14 118.94 126.23 1t8d s TRP 79 Ca 0.11 1.54 0.29 0.00 0.02 0.00 0.00 56.10 58.06 1t8d s TRP 79 Cb -0.10 -3.03 1.77 0.00 -1.15 0.00 0.00 33.47 30.96 1t8d s TRP 79 CO 0.00 -0.95 2.23 -0.24 0.02 0.00 0.00 176.95 178.01 1t8d h VAL 80 N 1.03 0.54 0.00 4.03 3.04 -1.69 0.25 116.25 123.45 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 0.97 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 -3.87 0.00 -0.06 3.17 2.03 -1.26 -4.87 116.55 111.68 1t8d n ASP 81 Ca -0.02 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1t8d n ASP 81 Cb 0.12 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.86 2.94 0.27 0.00 0.86 -5.07 105.19 105.95 1t8d n GLY 82 Ca 0.15 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1t8d n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8d s SER 83 N -2.72 2.26 0.48 1.61 1.04 -1.22 -4.90 113.70 110.24 1t8d s SER 83 Ca 0.00 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 1t8d s SER 83 Cb 0.00 -0.91 -0.08 0.00 0.10 0.00 0.00 66.02 65.13 1t8d s SER 83 CO 0.00 -0.09 1.18 1.41 0.98 0.00 0.00 173.24 176.71 1t8d n HIS 84 N 4.82 1.73 -1.26 5.02 8.25 -1.26 -1.09 115.22 131.42 1t8d n HIS 84 Ca -0.14 0.49 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 1t8d n HIS 84 Cb 0.50 -2.30 0.08 0.00 1.12 0.00 0.00 29.99 29.39 1t8d n HIS 84 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t8d n VAL 85 N -0.69 2.09 0.00 1.59 0.31 -1.06 -4.82 118.33 115.75 1t8d n VAL 85 Ca 0.09 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1t8d n VAL 85 Cb 0.42 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 -1.08 0.00 -0.12 4.52 9.92 -1.26 -4.94 116.55 123.59 1t8d n ASP 86 Ca 0.11 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.12 1t8d n ASP 86 Cb 0.50 -0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.89 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 -2.91 0.27 -1.48 1.24 4.02 -1.26 -5.12 117.16 111.92 1t8d n TYR 87 Ca 0.00 0.12 0.01 0.00 -0.01 0.00 0.00 57.90 58.02 1t8d n TYR 87 Cb 0.41 -0.96 -0.01 0.00 -0.02 0.00 0.00 39.34 38.76 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 -4.33 -8.00 0.00 7.72 7.64 -1.26 -4.98 113.62 110.41 1t8d n SER 88 Ca -0.43 1.76 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1t8d n SER 88 Cb 0.78 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -2.65 0.05 -3.92 6.43 3.02 -1.26 -5.07 115.26 111.86 1t8d n ASN 89 Ca -0.01 -0.10 -0.55 0.00 -0.03 0.00 0.00 54.58 53.89 1t8d n ASN 89 Cb 0.47 0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.22 1.09 -1.47 3.10 4.27 -1.25 -3.57 117.44 119.38 1t8d n TRP 90 Ca 0.00 0.72 -0.57 0.00 -3.89 0.00 0.00 57.50 53.76 1t8d n TRP 90 Cb 0.00 -2.09 -0.08 0.00 -1.36 0.00 0.00 31.31 27.77 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 6.69 -1.89 0.25 -1.67 0.00 0.12 -4.79 120.51 119.21 1t8d n ALA 91 Ca 0.49 0.47 0.15 0.00 0.00 0.00 0.00 53.44 54.55 1t8d n ALA 91 Cb -0.04 -1.64 0.85 0.00 0.00 0.00 0.00 19.45 18.62 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 3.82 0.00 -0.93 0.00 0.11 -1.91 -1.39 132.00 131.70 1t8d h PRO 92 Ca -0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1t8d h PRO 92 Cb 1.22 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 1t8d h PRO 92 CO 0.77 0.00 0.21 0.41 -0.21 0.00 0.00 178.00 179.17 1t8d n GLY 93 N -1.39 2.86 2.94 -0.55 0.00 -1.26 -4.67 105.19 103.13 1t8d n GLY 93 Ca -0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1t8d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 94 N -1.69 1.96 -0.10 1.61 0.41 -0.52 -5.09 118.70 115.27 1t8d s GLU 94 Ca 0.27 -2.62 -0.29 0.00 -0.41 0.00 0.00 54.97 51.92 1t8d s GLU 94 Cb 0.22 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 29.26 1t8d s GLU 94 CO 0.06 -1.12 1.46 -1.25 -0.49 0.00 0.00 175.26 173.93 1t8d s PRO 95 N -0.30 4.21 0.27 0.39 0.04 -1.26 -4.93 135.00 133.43 1t8d s PRO 95 Ca 0.17 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1t8d s PRO 95 Cb -0.25 -3.87 -0.10 0.00 0.04 0.00 0.00 34.50 30.32 1t8d s PRO 95 CO -0.00 -0.77 1.23 0.95 0.04 0.00 0.00 177.00 178.44 1t8d s THR 96 N 3.74 3.14 0.00 1.26 -4.23 -1.26 -5.04 115.64 113.25 1t8d s THR 96 Ca 0.64 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 1t8d s THR 96 Cb -0.28 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1t8d s THR 96 CO 0.22 0.23 0.00 -1.20 -0.54 0.00 0.00 174.62 173.34 1t8d n SER 97 N 1.45 1.51 -4.20 3.99 7.64 -1.26 -5.15 113.62 117.60 1t8d n SER 97 Ca 0.01 -0.69 -0.26 0.00 1.01 0.00 0.00 58.87 58.94 1t8d n SER 97 Cb 0.43 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.92 1.62 0.00 1.43 1.70 -1.26 -4.99 118.95 116.53 1t8d s ARG 98 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1t8d s ARG 98 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.83 1t8d s ARG 98 CO 0.00 0.41 0.00 0.45 -1.08 0.00 0.00 175.30 175.08 1t8d n SER 99 N 2.65 0.00 0.00 -2.89 2.88 -1.26 -5.13 113.62 109.87 1t8d n SER 99 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1t8d n SER 99 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1t8d n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8d n GLN 100 N -1.49 0.00 0.00 -1.46 6.02 -1.26 -5.17 117.38 114.02 1t8d n GLN 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1t8d n GLN 100 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1t8d n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1t8d n GLY 101 N -1.27 5.30 1.20 1.08 0.00 -1.26 -5.09 105.19 105.16 1t8d n GLY 101 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.32 -3.10 1.61 4.71 -1.26 -4.77 120.64 114.50 1t8d n GLU 102 Ca 0.00 2.52 0.04 0.00 -0.01 0.00 0.00 57.16 59.71 1t8d n GLU 102 Cb 0.00 -2.98 -0.00 0.00 -1.01 0.00 0.00 31.44 27.45 1t8d n GLU 102 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1t8d s ASP 103 N -3.90 -0.98 0.12 1.62 1.47 -0.80 -4.48 116.67 109.72 1t8d s ASP 103 Ca 0.00 -0.05 -0.17 0.00 1.18 0.00 0.00 52.55 53.50 1t8d s ASP 103 Cb 0.00 1.51 0.04 0.00 -0.34 0.00 0.00 42.92 44.13 1t8d s ASP 103 CO 0.00 -0.16 0.43 0.00 0.68 0.00 0.00 175.17 176.12 1t8d s VAL 105 N -3.64 3.81 0.31 0.00 1.01 -1.24 -2.64 120.40 118.02 1t8d s VAL 105 Ca 0.02 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1t8d s VAL 105 Cb 0.01 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1t8d s VAL 105 CO -0.11 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.62 1t8d s MET 106 N -0.50 1.62 -0.09 2.72 0.23 -0.65 -3.97 119.30 118.65 1t8d s MET 106 Ca 0.08 -1.89 0.04 0.00 -1.03 0.00 0.00 55.69 52.88 1t8d s MET 106 Cb -0.12 -0.82 0.00 0.00 -1.53 0.00 0.00 34.83 32.36 1t8d s MET 106 CO 0.02 -0.18 -0.21 0.00 -2.03 0.00 0.00 175.02 172.61 1t8d s MET 107 N -3.90 2.72 0.00 3.16 0.23 -1.24 0.10 119.30 120.38 1t8d s MET 107 Ca 0.36 -0.77 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 0.15 0.14 0.00 -2.13 -2.03 0.00 0.00 175.02 171.15 1t8d n ARG 108 N 3.59 0.00 0.00 3.16 0.63 -1.09 -3.69 116.66 119.25 1t8d n ARG 108 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1t8d n ARG 108 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t8d n GLY 109 N -0.06 1.76 0.00 5.14 0.00 -1.26 -4.41 105.19 106.37 1t8d n GLY 109 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 2.18 3.40 0.00 1.61 7.64 -1.26 -4.99 113.62 122.20 1t8d n SER 110 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1t8d n SER 110 Cb 0.00 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 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 2.07 1.05 0.00 0.23 0.00 -1.26 -5.12 105.19 102.17 1t8d n GLY 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.76 -4.02 1.61 0.00 -1.26 -4.65 116.66 112.10 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 1.81 2.93 -0.08 2.89 0.52 -1.23 -2.66 118.94 123.12 1t8d s TRP 113 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 56.10 55.85 1t8d s TRP 113 Cb 0.00 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1t8d s TRP 113 CO 0.00 0.38 0.14 -0.80 0.02 0.00 0.00 176.95 176.69 1t8d s ASN 114 N -3.88 0.87 -0.35 2.95 0.01 0.28 0.12 114.94 114.94 1t8d s ASN 114 Ca 0.36 0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 52.56 1t8d s ASN 114 Cb -0.06 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1t8d s ASN 114 CO 0.25 -0.25 0.66 -0.62 -1.51 0.00 0.00 177.10 175.63 1t8d s ASP 115 N 2.27 6.46 0.17 -1.22 2.15 -1.26 -1.64 116.67 123.59 1t8d s ASP 115 Ca 0.04 0.24 -0.19 0.00 0.43 0.00 0.00 52.55 53.07 1t8d s ASP 115 Cb -0.12 -2.34 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1t8d s ASP 115 CO -0.05 -0.60 0.52 0.00 -0.17 0.00 0.00 175.17 174.87 1t8d s ALA 116 N 2.76 -1.14 0.00 3.66 0.00 -1.08 -4.82 121.76 121.13 1t8d s ALA 116 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1t8d s ALA 116 Cb -0.14 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1t8d s ALA 116 CO 0.15 -0.75 0.12 1.19 0.00 0.00 0.00 175.76 176.46 1t8d n PHE 117 N -0.32 0.00 0.00 0.00 3.72 -1.26 -2.39 117.46 117.21 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 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 5.39 -2.66 0.00 2.03 -1.26 -4.91 116.55 115.14 1t8d n ASP 119 Ca 0.00 -2.99 -0.05 0.00 0.52 0.00 0.00 54.79 52.28 1t8d n ASP 119 Cb 0.00 -0.92 -0.04 0.00 -0.72 0.00 0.00 41.12 39.45 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1t8d n ARG 120 N 0.07 -4.25 0.00 -0.67 0.00 -1.26 -4.99 116.66 105.56 1t8d n ARG 120 Ca 0.31 3.24 0.00 0.00 -0.00 0.00 0.00 57.85 61.40 1t8d n ARG 120 Cb 0.76 -4.87 0.00 0.00 0.00 0.00 0.00 32.46 28.35 1t8d n ARG 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t8d n LYS 121 N 1.61 0.16 -4.34 -0.14 5.02 -1.26 -5.09 118.16 114.12 1t8d n LYS 121 Ca -0.34 -0.43 -0.30 0.00 -2.02 0.00 0.00 58.31 55.22 1t8d n LYS 121 Cb 0.53 -0.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.80 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1t8d s LEU 122 N -0.13 2.49 0.00 -0.35 2.01 -1.26 -4.77 118.68 116.66 1t8d s LEU 122 Ca 0.00 -1.46 0.00 0.00 0.01 0.00 0.00 54.13 52.68 1t8d s LEU 122 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 46.19 45.25 1t8d s LEU 122 CO 0.00 -0.97 0.29 0.61 1.01 0.00 0.00 176.35 177.29 1t8d n GLY 123 N -1.50 -0.21 3.24 -3.19 0.00 -1.25 -4.99 105.19 97.30 1t8d n GLY 123 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 -0.13 4.61 0.00 -1.25 -3.50 121.76 120.62 1t8d s ALA 124 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 1t8d s ALA 124 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1t8d s ALA 124 CO 0.00 -0.17 0.25 1.67 0.00 0.00 0.00 175.76 177.51 1t8d s TRP 125 N 0.10 3.52 -0.06 0.00 1.48 0.20 -3.71 118.94 120.46 1t8d s TRP 125 Ca -0.01 0.60 0.01 0.00 -1.06 0.00 0.00 56.10 55.64 1t8d s TRP 125 Cb -0.03 -2.21 0.02 0.00 -1.16 0.00 0.00 33.47 30.09 1t8d s TRP 125 CO 0.01 0.42 -0.07 0.54 -4.06 0.00 0.00 176.95 173.79 1t8d s VAL 126 N -0.12 0.79 0.11 -0.66 0.11 -1.25 -1.35 120.40 118.02 1t8d s VAL 126 Ca 0.16 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1t8d s VAL 126 Cb -0.13 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1t8d s VAL 126 CO 0.04 0.29 0.07 0.00 -3.33 0.00 0.00 175.10 172.17 1t8d s ASP 128 N -2.98 2.25 0.21 0.00 -4.77 0.13 0.23 116.67 111.73 1t8d s ASP 128 Ca 0.16 -0.43 -0.17 0.00 -3.30 0.00 0.00 52.55 48.81 1t8d s ASP 128 Cb 0.07 -0.21 0.02 0.00 -1.09 0.00 0.00 42.92 41.71 1t8d s ASP 128 CO -0.03 0.17 0.54 0.00 0.70 0.00 0.00 175.17 176.55 1t8d s ARG 129 N -0.86 1.46 0.15 2.11 1.70 -0.46 0.88 118.95 123.93 1t8d s ARG 129 Ca 0.07 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 1t8d s ARG 129 Cb -0.08 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1t8d s ARG 129 CO 0.01 -0.62 1.28 -0.51 -1.08 0.00 0.00 175.30 174.38 1t8d s LEU 130 N -2.90 4.41 0.66 -1.89 2.01 -1.26 0.32 118.68 120.02 1t8d s LEU 130 Ca 0.11 2.28 -0.17 0.00 0.01 0.00 0.00 54.13 56.36 1t8d s LEU 130 Cb -0.02 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.54 1t8d s LEU 130 CO 0.00 -0.51 0.73 0.00 1.01 0.00 0.00 176.35 177.58 1t8d n ALA 131 N 3.10 -0.73 -3.05 4.21 0.00 -0.98 -4.75 120.51 118.32 1t8d n ALA 131 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1t8d n ALA 131 Cb 0.44 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1t8d n ALA 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1t8d n THR 132 N -2.08 0.00 -3.83 0.00 -1.04 -1.26 -4.91 114.28 101.15 1t8d n THR 132 Ca 0.12 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.87 1t8d n THR 132 Cb 0.49 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.83 1t8d n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t8d s THR 134 N 1.80 4.42 -0.06 0.00 -1.32 -1.26 -4.98 115.64 114.23 1t8d s THR 134 Ca 0.03 1.59 -0.30 0.00 -1.21 0.00 0.00 61.69 61.80 1t8d s THR 134 Cb -0.14 -4.05 -0.04 0.00 -1.51 0.00 0.00 72.50 66.76 1t8d s THR 134 CO -0.07 0.43 1.35 -2.16 -2.21 0.00 0.00 174.62 171.96 1t8d s PRO 135 N -1.39 4.27 -0.40 7.08 0.04 -1.26 -4.97 135.00 138.38 1t8d s PRO 135 Ca 0.38 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1t8d s PRO 135 Cb -0.21 -3.67 -0.00 0.00 0.04 0.00 0.00 34.50 30.66 1t8d s PRO 135 CO 0.25 -0.61 1.60 -1.25 0.04 0.00 0.00 177.00 177.03 1t8d s PRO 136 N 2.84 3.40 -0.35 0.56 0.04 -1.26 -4.16 135.00 136.07 1t8d s PRO 136 Ca 0.61 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1t8d s PRO 136 Cb -0.27 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.16 1t8d s PRO 136 CO 0.23 -1.78 0.33 0.00 0.04 0.00 0.00 177.00 175.82 1t8d n ALA 137 N 9.70 -3.04 -3.53 8.56 0.00 -1.26 -5.01 120.51 125.93 1t8d n ALA 137 Ca 0.19 0.75 -0.29 0.00 0.00 0.00 0.00 53.44 54.09 1t8d n ALA 137 Cb 0.48 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.00 2.92 0.84 0.00 0.01 -1.26 -5.11 113.70 109.10 1t8d s SER 138 Ca 0.15 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 54.89 1t8d s SER 138 Cb -0.03 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1t8d s SER 138 CO 0.72 -0.27 0.00 -0.62 0.41 0.00 0.00 173.24 173.49 1t8d n GLU 139 N 3.63 0.00 -2.21 12.44 1.02 -1.26 -4.48 120.64 129.78 1t8d n GLU 139 Ca 0.15 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1t8d n GLU 139 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.78 1t8d n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1t8d s GLY 140 N -4.31 1.24 -0.05 0.62 0.00 -1.26 -4.90 107.32 98.65 1t8d s GLY 140 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 1t8d s GLY 140 CO 0.00 2.88 -0.06 1.76 0.00 0.00 0.00 173.10 177.69 1t8d h SER 141 N 10.43 0.00 -1.75 1.64 0.02 -2.02 -3.43 113.55 118.44 1t8d h SER 141 Ca -0.31 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.04 1t8d h SER 141 Cb 1.13 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.56 1t8d h SER 141 CO 1.02 0.26 1.21 0.00 -1.14 0.00 0.00 176.83 178.18 1t8d s ALA 142 N -2.89 2.85 0.00 3.77 0.00 -1.26 -5.22 121.76 119.00 1t8d s ALA 142 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1t8d s ALA 142 Cb 0.01 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1t8d s ALA 142 CO 0.07 -3.37 0.00 -1.91 0.00 0.00 0.00 175.76 170.55