#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 4.28 3.81 5.00 0.00 -1.26 -5.08 105.19 111.93 1t8d n GLY 2 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.12 2.95 0.46 1.61 0.08 -1.26 -5.02 117.98 113.68 1t8d s PHE 3 Ca 0.40 1.26 -0.22 0.00 0.12 0.00 0.00 56.93 58.49 1t8d s PHE 3 Cb 0.38 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.72 1t8d s PHE 3 CO -0.03 -1.55 1.06 0.14 -0.10 0.00 0.00 175.22 174.75 1t8d s VAL 4 N -3.11 3.64 -0.38 -0.44 -7.23 -1.26 -4.93 120.40 106.69 1t8d s VAL 4 Ca 0.60 1.11 0.07 0.00 -1.81 0.00 0.00 61.98 61.94 1t8d s VAL 4 Cb -0.14 -3.50 0.30 0.00 0.56 0.00 0.00 36.38 33.60 1t8d s VAL 4 CO 0.54 -0.13 1.27 0.00 -0.31 0.00 0.00 175.10 176.47 1t8d s ASN 6 N -0.94 -0.96 0.00 0.00 3.84 -1.25 -4.90 114.94 110.73 1t8d s ASN 6 Ca 0.18 -0.79 0.04 0.00 0.21 0.00 0.00 52.86 52.50 1t8d s ASN 6 Cb 0.31 1.25 -0.24 0.00 -0.55 0.00 0.00 41.25 42.01 1t8d s ASN 6 CO -0.07 -0.07 0.84 0.00 -2.79 0.00 0.00 177.10 175.01 1t8d h THR 7 N 4.12 1.13 -2.90 -5.21 1.03 -1.97 -3.45 112.91 105.65 1t8d h THR 7 Ca 0.02 -2.86 -0.57 0.00 -0.01 0.00 0.00 66.41 62.99 1t8d h THR 7 Cb 1.17 2.64 -0.04 0.00 -1.07 0.00 0.00 68.15 70.85 1t8d h THR 7 CO -0.01 0.74 1.19 0.00 -0.01 0.00 0.00 175.52 177.43 1t8d n PRO 9 N 8.32 0.00 0.00 0.00 -0.04 -1.26 -4.86 135.00 137.16 1t8d n PRO 9 Ca 0.20 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1t8d n PRO 9 Cb 0.47 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 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 -1.69 0.00 0.00 0.54 2.13 -1.26 -4.88 120.64 115.48 1t8d n GLU 10 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1t8d n GLU 10 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1t8d n GLU 10 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1t8d n LYS 11 N -0.61 0.00 -1.45 5.31 5.02 -1.26 -4.62 118.16 120.54 1t8d n LYS 11 Ca 0.00 0.71 -0.53 0.00 -2.02 0.00 0.00 58.31 56.46 1t8d n LYS 11 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.41 0.09 -4.24 2.13 8.01 -1.26 -4.50 117.44 115.26 1t8d n TRP 12 Ca 0.00 1.01 -0.24 0.00 -1.31 0.00 0.00 57.50 56.96 1t8d n TRP 12 Cb 0.00 -2.03 -0.17 0.00 -2.01 0.00 0.00 31.31 27.10 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 -0.50 0.90 0.11 -0.99 1.01 0.22 -4.09 121.20 117.84 1t8d s ILE 13 Ca 0.77 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1t8d s ILE 13 Cb -1.09 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1t8d s ILE 13 CO 0.56 0.32 0.14 0.21 0.00 0.00 0.00 174.94 176.17 1t8d s ASN 14 N 1.09 5.78 0.00 3.58 3.84 -1.26 0.92 114.94 128.89 1t8d s ASN 14 Ca -0.07 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.03 1t8d s ASN 14 Cb -0.14 -1.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.94 1t8d s ASN 14 CO -0.01 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.92 1t8d n PHE 15 N 0.10 0.00 -0.22 0.43 3.72 0.14 -4.96 117.46 116.67 1t8d n PHE 15 Ca -0.08 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1t8d n PHE 15 Cb 0.53 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.20 0.00 -1.08 3.07 -2.04 -3.40 115.11 111.86 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 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1t8d h GLN 16 CO 0.00 0.13 0.00 2.89 0.09 0.00 0.00 178.83 181.94 1t8d n ARG 17 N -5.20 0.00 -4.29 0.06 1.85 -1.26 -5.13 116.66 102.68 1t8d n ARG 17 Ca 0.11 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.71 1t8d n ARG 17 Cb 0.40 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.73 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1t8d s LYS 18 N 0.00 2.18 0.24 2.89 -2.85 -1.26 -2.21 119.74 118.73 1t8d s LYS 18 Ca 0.00 -1.33 0.06 0.00 -1.00 0.00 0.00 55.97 53.70 1t8d s LYS 18 Cb 0.00 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.55 1t8d s LYS 18 CO 0.00 0.40 -0.07 0.00 0.10 0.00 0.00 175.35 175.79 1t8d s TYR 20 N -3.14 1.86 -0.21 0.00 1.51 0.26 -1.68 117.35 115.94 1t8d s TYR 20 Ca 0.26 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1t8d s TYR 20 Cb 0.03 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1t8d s TYR 20 CO 0.09 0.31 -0.10 0.71 -1.11 0.00 0.00 175.55 175.45 1t8d s TYR 21 N -1.79 2.92 -0.43 2.71 2.02 0.61 -0.61 117.35 122.78 1t8d s TYR 21 Ca 0.14 -1.32 0.09 0.00 -0.37 0.00 0.00 57.07 55.60 1t8d s TYR 21 Cb -0.07 -2.03 0.41 0.00 -0.40 0.00 0.00 41.96 39.87 1t8d s TYR 21 CO 0.06 -0.68 1.00 1.19 -1.57 0.00 0.00 175.55 175.55 1t8d n PHE 22 N 4.71 2.61 -2.39 2.71 3.72 -1.26 -1.54 117.46 126.01 1t8d n PHE 22 Ca -0.19 -3.27 -0.23 0.00 -0.05 0.00 0.00 57.45 53.72 1t8d n PHE 22 Cb 0.50 -0.27 0.13 0.00 -0.94 0.00 0.00 39.48 38.90 1t8d n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t8d n GLY 23 N -0.25 0.10 3.10 1.37 0.00 -0.46 -4.66 105.19 104.40 1t8d n GLY 23 Ca 0.28 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 1t8d n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t8d s LYS 24 N -5.10 1.38 0.00 1.61 -2.85 -1.26 -0.42 119.74 113.10 1t8d s LYS 24 Ca 0.63 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1t8d s LYS 24 Cb -0.03 -1.26 0.00 0.00 -2.06 0.00 0.00 37.83 34.48 1t8d s LYS 24 CO 0.43 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.54 1t8d n GLY 25 N 2.99 -0.70 0.17 0.59 0.00 -1.14 -4.84 105.19 102.26 1t8d n GLY 25 Ca -0.17 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t8d n THR 26 N 0.00 0.00 -1.33 2.61 -2.24 -1.26 -4.86 114.28 107.21 1t8d n THR 26 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1t8d n THR 26 Cb 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1t8d n THR 26 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1t8d n LYS 27 N -0.03 0.00 -3.94 -0.78 2.85 -1.26 -4.56 118.16 110.45 1t8d n LYS 27 Ca -0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 1t8d n LYS 27 Cb 0.03 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.34 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1t8d s GLN 28 N 0.00 1.23 0.03 -1.58 -0.21 -1.26 -4.69 119.66 113.18 1t8d s GLN 28 Ca 0.00 -1.15 -0.24 0.00 0.02 0.00 0.00 55.36 53.99 1t8d s GLN 28 Cb 0.00 0.40 -0.16 0.00 1.00 0.00 0.00 33.01 34.25 1t8d s GLN 28 CO 0.00 -0.47 1.45 2.35 -2.12 0.00 0.00 175.29 176.50 1t8d h TRP 29 N 2.47 0.11 -0.59 0.91 7.01 -1.99 -2.80 115.95 121.07 1t8d h TRP 29 Ca -0.31 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 60.81 1t8d h TRP 29 Cb 1.24 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.24 1t8d h TRP 29 CO 0.39 0.39 0.41 -0.39 -2.79 0.00 0.00 178.44 176.45 1t8d h VAL 30 N -0.20 0.78 0.00 2.65 -1.51 -1.97 0.37 116.25 116.37 1t8d h VAL 30 Ca 0.02 -0.06 -0.10 0.00 -1.23 0.00 0.00 66.70 65.33 1t8d h VAL 30 Cb 0.35 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1t8d h VAL 30 CO 0.00 0.03 -0.47 -0.74 -1.23 0.00 0.00 177.57 175.17 1t8d h HIS 31 N 0.17 0.00 -0.03 5.19 2.76 -1.92 -2.18 115.15 119.15 1t8d h HIS 31 Ca 0.28 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1t8d h HIS 31 Cb 0.88 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 1t8d h HIS 31 CO -0.00 0.47 -0.04 0.00 -1.30 0.00 0.00 177.93 177.05 1t8d h ALA 32 N 1.53 0.04 -0.65 5.26 0.00 -0.04 -1.96 119.26 123.44 1t8d h ALA 32 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1t8d h ALA 32 CO 0.06 -0.16 0.33 0.07 0.00 0.00 0.00 179.25 179.55 1t8d h ARG 33 N -0.45 0.91 -0.38 0.00 0.11 -1.43 -0.98 114.38 112.16 1t8d h ARG 33 Ca 0.00 -0.11 -0.06 0.00 0.10 0.00 0.00 59.98 59.92 1t8d h ARG 33 Cb 0.59 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 1t8d h ARG 33 CO 0.01 0.69 0.00 1.88 0.10 0.00 0.00 179.97 182.65 1t8d h TYR 34 N 0.91 0.63 -0.42 4.08 0.05 -1.37 -1.70 116.97 119.15 1t8d h TYR 34 Ca 0.23 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 1t8d h TYR 34 Cb 0.07 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1t8d h TYR 34 CO 0.01 0.61 -0.13 0.00 -1.05 0.00 0.00 178.16 177.59 1t8d h ALA 35 N 1.43 0.98 -0.13 3.88 0.00 -0.41 -2.63 119.26 122.38 1t8d h ALA 35 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1t8d h ALA 35 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1t8d h ALA 35 CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1t8d h ASP 37 N 0.05 0.54 0.88 0.00 5.19 -1.20 0.58 116.42 122.46 1t8d h ASP 37 Ca 0.06 0.01 -0.05 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 39.47 1t8d h ASP 37 CO -0.10 0.33 -0.25 -0.78 -3.12 0.00 0.00 179.24 175.32 1t8d h ASP 38 N 0.60 0.00 0.00 6.45 3.58 -0.93 -2.58 116.42 123.55 1t8d h ASP 38 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1t8d h ASP 38 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1t8d h ASP 38 CO -0.11 0.25 -0.56 0.23 -2.88 0.00 0.00 179.24 176.17 1t8d n MET 39 N -3.43 0.99 -2.93 0.28 2.81 0.53 -4.98 117.12 110.39 1t8d n MET 39 Ca -0.00 -0.81 -0.11 0.00 -1.81 0.00 0.00 57.70 54.97 1t8d n MET 39 Cb 0.44 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.30 -4.24 0.00 0.03 1.02 0.17 -4.93 120.64 112.40 1t8d n GLU 40 Ca 0.08 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1t8d n GLU 40 Cb 0.44 -4.59 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 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 -1.13 3.82 3.44 0.62 0.00 -0.43 -4.58 105.19 106.92 1t8d n GLY 41 Ca -0.15 -0.44 -0.11 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 3.63 1.24 -0.37 1.61 0.74 0.25 -4.73 119.66 122.03 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 34.68 1t8d s GLN 42 CO 0.00 -0.55 1.33 -1.17 -0.55 0.00 0.00 175.29 174.36 1t8d s LEU 43 N -2.73 3.72 0.00 3.68 2.96 -1.26 0.18 118.68 125.23 1t8d s LEU 43 Ca 0.02 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 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 6.68 0.00 -2.92 1.68 0.24 -1.24 -2.85 118.33 119.91 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 -0.24 -2.14 0.00 0.00 176.83 174.45 1t8d n SER 45 N -0.20 -3.05 -4.56 -1.34 2.88 -1.26 -4.60 113.62 101.50 1t8d n SER 45 Ca 0.00 -0.46 -0.43 0.00 -1.33 0.00 0.00 58.87 56.65 1t8d n SER 45 Cb 0.00 -3.77 -0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1t8d n ILE 46 N -3.05 2.07 -0.40 2.46 -0.00 -1.26 -4.83 119.36 114.36 1t8d n ILE 46 Ca -0.16 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.09 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 -0.19 0.00 -4.26 4.28 1.44 -1.26 -4.84 115.22 110.39 1t8d n HIS 47 Ca 0.10 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.48 1t8d n HIS 47 Cb 0.35 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.30 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 -0.13 3.36 0.55 4.39 0.15 -1.26 -4.82 113.70 115.93 1t8d s SER 48 Ca 0.00 -0.58 0.39 0.00 0.70 0.00 0.00 55.95 56.46 1t8d s SER 48 Cb 0.00 -1.52 1.56 0.00 -1.71 0.00 0.00 66.02 64.35 1t8d s SER 48 CO 0.00 0.03 1.72 -0.65 1.20 0.00 0.00 173.24 175.54 1t8d h PRO 49 N 7.75 0.00 -0.06 5.44 0.11 -1.97 0.51 132.00 143.78 1t8d h PRO 49 Ca -0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1t8d h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8d h PRO 49 CO 0.61 0.00 -0.28 1.49 -0.21 0.00 0.00 178.00 179.61 1t8d h GLU 50 N 0.00 0.30 -0.27 1.05 4.81 -1.98 -1.98 114.58 116.51 1t8d h GLU 50 Ca 0.63 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1t8d h GLU 50 Cb 2.61 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 32.03 1t8d h GLU 50 CO -0.01 0.88 0.12 0.93 -0.73 0.00 0.00 179.01 180.20 1t8d h GLU 51 N -0.22 0.40 -0.90 1.92 5.08 -0.47 0.60 114.58 120.98 1t8d h GLU 51 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1t8d h GLU 51 Cb 0.93 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 1t8d h GLU 51 CO 0.06 0.41 0.54 -0.56 -1.00 0.00 0.00 179.01 178.46 1t8d h GLN 52 N 0.29 1.23 -0.20 2.33 -0.00 -1.19 -1.28 115.11 116.29 1t8d h GLN 52 Ca 0.09 -0.11 -0.12 0.00 -0.00 0.00 0.00 58.65 58.50 1t8d h GLN 52 Cb 0.15 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.48 27.37 1t8d h GLN 52 CO -0.01 0.86 -0.40 0.22 -0.00 0.00 0.00 178.83 179.50 1t8d h ASP 53 N 1.25 0.50 0.13 0.06 3.58 -1.02 0.14 116.42 121.05 1t8d h ASP 53 Ca 0.32 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1t8d h ASP 53 Cb -0.05 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 1t8d h ASP 53 CO -0.06 0.85 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.82 1t8d h PHE 54 N 0.39 -0.18 -0.08 0.28 0.04 0.13 0.44 116.94 117.96 1t8d h PHE 54 Ca 0.04 -0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 1t8d h PHE 54 Cb 0.88 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 1t8d h PHE 54 CO 0.03 -0.11 -0.77 1.37 -0.60 0.00 0.00 178.31 178.23 1t8d h LEU 55 N -0.18 0.57 -1.11 1.54 8.10 -1.25 -1.66 115.31 121.30 1t8d h LEU 55 Ca -0.01 -0.38 0.01 0.00 0.11 0.00 0.00 57.88 57.60 1t8d h LEU 55 Cb 0.15 -0.17 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1t8d h LEU 55 CO 0.02 1.14 0.57 0.74 -4.11 0.00 0.00 178.44 176.80 1t8d h THR 56 N 0.31 1.23 -0.07 0.15 2.02 -0.47 0.21 112.91 116.29 1t8d h THR 56 Ca -0.04 -0.44 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 1t8d h THR 56 Cb 1.36 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1t8d h THR 56 CO 0.14 0.23 -0.74 0.50 0.37 0.00 0.00 175.52 176.01 1t8d h LYS 57 N 1.20 0.40 -0.07 6.66 1.63 -0.04 -2.96 116.57 123.38 1t8d h LYS 57 Ca 0.32 -0.34 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1t8d h LYS 57 Cb -0.12 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1t8d h LYS 57 CO -0.07 0.98 -0.21 1.25 -3.45 0.00 0.00 179.45 177.95 1t8d h HIS 58 N 0.27 0.12 -2.03 1.91 2.76 -0.20 -3.42 115.15 114.56 1t8d h HIS 58 Ca -0.03 -0.02 -0.58 0.00 -2.20 0.00 0.00 60.37 57.54 1t8d h HIS 58 Cb 1.32 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1t8d h HIS 58 CO 0.04 0.32 1.44 0.00 -1.30 0.00 0.00 177.93 178.44 1t8d n ALA 59 N -2.49 1.73 -0.10 5.26 0.00 0.59 -4.83 120.51 120.67 1t8d n ALA 59 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1t8d n ALA 59 Cb 0.30 -2.87 -0.05 0.00 0.00 0.00 0.00 19.45 16.83 1t8d n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t8d n SER 60 N 10.83 1.80 0.00 0.00 7.64 -1.26 -4.82 113.62 127.81 1t8d n SER 60 Ca 0.28 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1t8d n SER 60 Cb 0.43 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1t8d n SER 60 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1t8d n HIS 61 N -4.25 0.00 0.01 1.43 8.25 -1.26 -4.88 115.22 114.52 1t8d n HIS 61 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1t8d n HIS 61 Cb 0.62 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1t8d n HIS 61 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1t8d n THR 62 N -0.65 0.17 -1.79 1.59 -2.24 -1.26 -5.06 114.28 105.03 1t8d n THR 62 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1t8d n THR 62 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 3.20 2.68 3.21 3.38 0.00 -1.26 -4.67 105.19 111.73 1t8d n GLY 63 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 1t8d n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8d s SER 64 N 2.00 1.27 -0.14 1.61 0.01 -1.26 -3.84 113.70 113.35 1t8d s SER 64 Ca 0.00 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 1t8d s SER 64 Cb 0.00 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1t8d s SER 64 CO 0.00 -0.49 -0.02 0.26 0.41 0.00 0.00 173.24 173.40 1t8d s TRP 65 N -3.59 3.06 0.37 2.43 0.51 -1.23 -3.39 118.94 117.09 1t8d s TRP 65 Ca 0.17 -0.16 0.08 0.00 -2.12 0.00 0.00 56.10 54.07 1t8d s TRP 65 Cb 0.05 -1.93 -0.04 0.00 -0.81 0.00 0.00 33.47 30.74 1t8d s TRP 65 CO -0.00 0.08 0.21 0.96 -0.51 0.00 0.00 176.95 177.69 1t8d s ILE 66 N 0.10 2.91 0.00 2.03 -4.36 -1.24 -4.18 121.20 116.46 1t8d s ILE 66 Ca 0.00 -1.58 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1t8d s ILE 66 Cb -0.13 -3.02 -0.19 0.00 1.25 0.00 0.00 42.46 40.37 1t8d s ILE 66 CO 0.02 -0.12 2.77 0.61 0.24 0.00 0.00 174.94 178.47 1t8d n GLY 67 N -1.27 2.49 3.05 6.27 0.00 -1.13 -4.65 105.19 109.95 1t8d n GLY 67 Ca -0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 1.69 -0.05 0.99 0.20 -1.26 -1.53 118.68 118.72 1t8d s LEU 68 Ca 0.46 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 1t8d s LEU 68 Cb 0.22 -0.98 0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1t8d s LEU 68 CO 0.00 0.03 0.03 -0.60 -0.29 0.00 0.00 176.35 175.52 1t8d s ARG 69 N 0.79 0.26 0.71 1.98 3.52 0.11 -2.98 118.95 123.34 1t8d s ARG 69 Ca -0.11 0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.59 1t8d s ARG 69 Cb -0.16 -0.69 0.02 0.00 -1.56 0.00 0.00 34.95 32.56 1t8d s ARG 69 CO 0.02 -0.29 1.08 -0.80 -0.81 0.00 0.00 175.30 174.50 1t8d s ASN 70 N 1.90 5.03 -0.94 -2.12 -0.87 0.21 -1.96 114.94 116.21 1t8d s ASN 70 Ca 0.03 1.77 -0.18 0.00 -1.57 0.00 0.00 52.86 52.90 1t8d s ASN 70 Cb -0.12 -2.52 -0.11 0.00 -0.02 0.00 0.00 41.25 38.48 1t8d s ASN 70 CO -0.04 -1.68 2.03 0.18 -2.57 0.00 0.00 177.10 175.02 1t8d n LEU 71 N -3.09 4.82 -3.52 0.60 4.77 0.17 -4.36 117.00 116.39 1t8d n LEU 71 Ca 0.09 -3.16 -0.24 0.00 -0.03 0.00 0.00 56.01 52.66 1t8d n LEU 71 Cb 0.53 -1.22 0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1t8d n LEU 71 CO 0.53 0.08 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.97 1t8d n ASP 72 N 6.75 -5.43 -3.80 -1.43 -0.08 -1.26 -2.44 116.55 108.86 1t8d n ASP 72 Ca 0.50 -0.88 -0.27 0.00 -1.51 0.00 0.00 54.79 52.63 1t8d n ASP 72 Cb 0.37 -4.13 0.04 0.00 2.34 0.00 0.00 41.12 39.74 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 -3.84 -2.88 -0.01 -2.67 0.00 -1.19 -4.88 117.00 101.54 1t8d n LEU 73 Ca -0.10 -0.75 0.10 0.00 0.00 0.00 0.00 56.01 55.26 1t8d n LEU 73 Cb 0.61 -2.68 -0.15 0.00 0.00 0.00 0.00 43.42 41.20 1t8d n LEU 73 CO 0.64 0.48 -0.63 0.29 0.00 0.00 0.00 177.39 178.17 1t8d n LYS 74 N -4.61 0.59 0.00 1.96 5.02 -1.02 -4.90 118.16 115.20 1t8d n LYS 74 Ca -0.06 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1t8d n LYS 74 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.37 2.52 3.72 0.72 0.00 -1.26 -5.00 105.19 107.25 1t8d n GLY 75 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.35 4.40 -0.16 1.61 2.02 -1.26 -4.96 118.70 120.00 1t8d s GLU 76 Ca 0.00 0.71 -0.09 0.00 0.02 0.00 0.00 54.97 55.62 1t8d s GLU 76 Cb 0.00 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 1t8d s GLU 76 CO 0.00 0.10 0.14 -0.06 0.02 0.00 0.00 175.26 175.47 1t8d s PHE 77 N 0.72 3.51 -0.00 1.61 0.40 -1.26 -0.66 117.98 122.29 1t8d s PHE 77 Ca 0.33 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 1t8d s PHE 77 Cb -0.17 -2.06 -0.00 0.00 0.51 0.00 0.00 43.02 41.30 1t8d s PHE 77 CO 0.15 0.51 -0.02 0.42 0.70 0.00 0.00 175.22 176.98 1t8d s ILE 78 N -0.32 0.13 0.48 0.64 1.01 -0.83 -3.21 121.20 119.11 1t8d s ILE 78 Ca 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 1t8d s ILE 78 Cb -0.12 -0.12 -0.08 0.00 0.01 0.00 0.00 42.46 42.15 1t8d s ILE 78 CO 0.01 0.03 1.04 0.26 0.00 0.00 0.00 174.94 176.28 1t8d s TRP 79 N -0.05 3.00 0.61 3.97 0.51 -0.05 0.05 118.94 126.98 1t8d s TRP 79 Ca 0.01 1.58 0.32 0.00 -2.12 0.00 0.00 56.10 55.88 1t8d s TRP 79 Cb -0.01 -3.07 1.87 0.00 -0.81 0.00 0.00 33.47 31.45 1t8d s TRP 79 CO -0.00 -0.83 2.22 -0.24 -0.51 0.00 0.00 176.95 177.59 1t8d h VAL 80 N 1.58 0.40 0.00 4.03 3.04 -1.59 0.30 116.25 124.02 1t8d h VAL 80 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1t8d h VAL 80 Cb 1.22 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1t8d h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8d n ASP 81 N -3.67 0.00 -0.37 3.17 2.03 -1.26 -4.85 116.55 111.59 1t8d n ASP 81 Ca -0.02 -1.07 -0.01 0.00 0.52 0.00 0.00 54.79 54.21 1t8d n ASP 81 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.67 0.55 2.83 0.27 0.00 0.10 -5.06 105.19 104.56 1t8d n GLY 82 Ca 0.16 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1t8d n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t8d s SER 83 N -2.98 1.71 0.49 1.61 0.15 -1.20 -4.92 113.70 108.56 1t8d s SER 83 Ca 0.01 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.29 1t8d s SER 83 Cb -0.01 -0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 63.63 1t8d s SER 83 CO 0.02 -0.15 0.82 1.41 1.20 0.00 0.00 173.24 176.54 1t8d n HIS 84 N 4.92 0.44 -1.06 3.44 8.25 -1.26 -0.87 115.22 129.07 1t8d n HIS 84 Ca -0.11 0.52 -0.33 0.00 -0.26 0.00 0.00 57.72 57.53 1t8d n HIS 84 Cb 0.50 -2.11 0.13 0.00 1.12 0.00 0.00 29.99 29.63 1t8d n HIS 84 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t8d s VAL 85 N -1.45 2.07 0.01 1.59 1.01 -1.20 -4.75 120.40 117.69 1t8d s VAL 85 Ca 0.67 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1t8d s VAL 85 Cb -0.51 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1t8d s VAL 85 CO 0.54 -0.02 -0.05 0.47 0.00 0.00 0.00 175.10 176.04 1t8d n ASP 86 N -3.43 0.71 -0.14 3.32 9.92 -1.26 -4.93 116.55 120.75 1t8d n ASP 86 Ca 0.13 0.10 -0.28 0.00 -0.53 0.00 0.00 54.79 54.21 1t8d n ASP 86 Cb 0.51 -0.24 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 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 -3.38 0.04 -1.43 1.24 4.02 -1.26 -5.12 117.16 111.27 1t8d n TYR 87 Ca -0.05 0.01 0.18 0.00 -0.01 0.00 0.00 57.90 58.04 1t8d n TYR 87 Cb 0.32 -1.00 -0.09 0.00 -0.02 0.00 0.00 39.34 38.55 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 -4.11 -8.10 0.00 7.72 7.64 -1.26 -4.96 113.62 110.56 1t8d n SER 88 Ca -0.53 1.30 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1t8d n SER 88 Cb 0.90 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -4.32 0.00 -4.20 6.43 3.02 -1.26 -5.05 115.26 109.87 1t8d n ASN 89 Ca -0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.17 1t8d n ASN 89 Cb 0.68 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.28 -1.50 3.10 4.27 -1.25 -3.62 117.44 118.73 1t8d n TRP 90 Ca 0.00 0.19 0.01 0.00 -3.89 0.00 0.00 57.50 53.81 1t8d n TRP 90 Cb 0.00 -1.41 -0.01 0.00 -1.36 0.00 0.00 31.31 28.53 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 7.66 -1.99 -0.08 -1.67 0.00 0.86 -4.76 120.51 120.53 1t8d n ALA 91 Ca 0.63 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 54.43 1t8d n ALA 91 Cb 0.08 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 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 0.07 0.51 0.00 0.00 0.13 -1.89 -3.46 132.00 127.36 1t8d h PRO 92 Ca -0.01 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1t8d h PRO 92 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1t8d h PRO 92 CO 0.00 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 1t8d n GLY 93 N 0.11 0.00 2.67 1.56 0.00 -1.26 -5.10 105.19 103.17 1t8d n GLY 93 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1t8d n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t8d s GLU 94 N 0.00 1.19 -0.57 1.61 -1.05 -1.26 -5.08 118.70 113.53 1t8d s GLU 94 Ca 0.00 -1.93 -0.27 0.00 -0.15 0.00 0.00 54.97 52.62 1t8d s GLU 94 Cb 0.00 -2.19 -0.01 0.00 -0.44 0.00 0.00 34.13 31.49 1t8d s GLU 94 CO 0.00 -1.17 1.71 -1.25 0.95 0.00 0.00 175.26 175.50 1t8d s PRO 95 N 0.43 2.91 -0.14 -4.83 0.04 -1.26 -4.77 135.00 127.39 1t8d s PRO 95 Ca 0.18 0.62 0.10 0.00 0.04 0.00 0.00 61.00 61.94 1t8d s PRO 95 Cb -0.23 -4.29 -0.15 0.00 0.04 0.00 0.00 34.50 29.87 1t8d s PRO 95 CO -0.00 -2.39 0.01 0.25 0.04 0.00 0.00 177.00 174.90 1t8d n THR 96 N 7.10 0.91 -2.10 1.26 -2.24 -1.26 -4.95 114.28 113.00 1t8d n THR 96 Ca 0.18 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1t8d n THR 96 Cb 0.50 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1t8d n THR 96 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1t8d s SER 97 N -4.81 6.73 -0.59 3.42 0.01 -1.26 -4.94 113.70 112.26 1t8d s SER 97 Ca -0.10 2.14 -0.28 0.00 1.31 0.00 0.00 55.95 59.02 1t8d s SER 97 Cb 0.04 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1t8d s SER 97 CO 0.50 -0.88 1.46 -0.13 0.41 0.00 0.00 173.24 174.60 1t8d s ARG 98 N 3.77 3.20 0.09 12.44 0.52 -1.26 -4.95 118.95 132.75 1t8d s ARG 98 Ca 0.69 0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 56.13 1t8d s ARG 98 Cb -0.31 -4.17 0.03 0.00 0.52 0.00 0.00 34.95 31.02 1t8d s ARG 98 CO 0.27 -2.07 0.35 -1.54 0.02 0.00 0.00 175.30 172.32 1t8d s SER 99 N 4.81 -0.16 0.00 0.23 1.04 -1.26 -5.07 113.70 113.28 1t8d s SER 99 Ca 0.52 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1t8d s SER 99 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1t8d s SER 99 CO 0.23 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.69 1t8d n GLN 100 N 0.06 0.00 -1.87 4.02 3.00 -1.26 -5.07 117.38 116.26 1t8d n GLN 100 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.42 1t8d n GLN 100 Cb 0.62 -0.78 0.01 0.00 0.00 0.00 0.00 30.24 30.09 1t8d n GLN 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1t8d s GLY 101 N -3.90 2.93 -0.36 1.08 0.00 -1.26 -4.92 107.32 100.89 1t8d s GLY 101 Ca 0.00 1.41 -0.04 0.00 0.00 0.00 0.00 44.72 46.09 1t8d s GLY 101 CO 0.00 2.02 0.93 -1.83 0.00 0.00 0.00 173.10 174.22 1t8d s GLU 102 N -2.35 0.38 -0.00 2.90 -1.05 -1.26 -1.84 118.70 115.49 1t8d s GLU 102 Ca 0.59 -0.16 0.05 0.00 -0.15 0.00 0.00 54.97 55.30 1t8d s GLU 102 Cb -0.42 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 33.25 1t8d s GLU 102 CO 0.55 -0.55 0.18 -3.47 0.95 0.00 0.00 175.26 172.92 1t8d n ASP 103 N 3.79 1.04 -3.90 0.83 2.03 -1.24 -3.15 116.55 115.95 1t8d n ASP 103 Ca 0.08 -0.48 -0.09 0.00 0.52 0.00 0.00 54.79 54.82 1t8d n ASP 103 Cb 0.61 1.05 -0.05 0.00 -0.72 0.00 0.00 41.12 42.02 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 -3.89 1.88 0.22 0.00 1.01 -1.16 -2.19 120.40 116.27 1t8d s VAL 105 Ca 0.21 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1t8d s VAL 105 Cb -0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1t8d s VAL 105 CO 0.10 0.29 0.18 0.00 0.00 0.00 0.00 175.10 175.67 1t8d s MET 106 N -1.17 1.31 0.10 2.72 0.23 -1.07 -3.68 119.30 117.73 1t8d s MET 106 Ca 0.09 -1.65 0.10 0.00 -1.03 0.00 0.00 55.69 53.20 1t8d s MET 106 Cb -0.09 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 1t8d s MET 106 CO 0.02 -0.45 -0.26 0.00 -2.03 0.00 0.00 175.02 172.30 1t8d s MET 107 N -4.04 1.46 0.00 3.16 0.23 -1.22 0.61 119.30 119.50 1t8d s MET 107 Ca 0.38 -1.25 0.00 0.00 -1.03 0.00 0.00 55.69 53.78 1t8d s MET 107 Cb 0.06 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.52 1t8d s MET 107 CO 0.14 0.45 0.00 0.54 -2.03 0.00 0.00 175.02 174.11 1t8d n ARG 108 N 1.17 2.27 -0.56 3.16 1.74 -1.13 -4.00 116.66 119.31 1t8d n ARG 108 Ca -0.18 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.88 1t8d n ARG 108 Cb 0.53 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t8d n GLY 109 N 4.71 2.52 0.00 -0.13 0.00 -1.26 -3.33 105.19 107.71 1t8d n GLY 109 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.65 0.77 -0.07 1.61 7.64 -1.26 -4.99 113.62 118.96 1t8d n SER 110 Ca 0.06 -0.92 -0.01 0.00 1.01 0.00 0.00 58.87 59.01 1t8d n SER 110 Cb 0.54 0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.13 0.48 0.00 0.23 0.00 -1.21 -5.00 105.19 99.82 1t8d n GLY 111 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.91 0.00 -4.03 1.61 -4.01 -1.26 -4.67 116.66 101.38 1t8d n ARG 112 Ca -0.01 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.58 1t8d n ARG 112 Cb 0.04 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.41 1t8d n ARG 112 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1t8d s TRP 113 N -3.21 2.95 -0.07 2.89 0.51 -1.24 -2.83 118.94 117.94 1t8d s TRP 113 Ca 0.00 -0.22 -0.02 0.00 -2.12 0.00 0.00 56.10 53.75 1t8d s TRP 113 Cb 0.00 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.16 1t8d s TRP 113 CO 0.00 0.40 0.01 -0.80 -0.51 0.00 0.00 176.95 176.05 1t8d s ASN 114 N -3.87 1.57 -0.46 2.95 -0.87 0.20 -0.10 114.94 114.36 1t8d s ASN 114 Ca 0.36 -0.09 -0.27 0.00 -1.57 0.00 0.00 52.86 51.29 1t8d s ASN 114 Cb -0.06 -0.40 0.03 0.00 -0.02 0.00 0.00 41.25 40.79 1t8d s ASN 114 CO 0.25 -0.21 1.00 -0.62 -2.57 0.00 0.00 177.10 174.95 1t8d s ASP 115 N 2.00 6.56 0.16 -1.22 2.15 -1.26 -2.60 116.67 122.45 1t8d s ASP 115 Ca 0.05 0.27 -0.20 0.00 0.43 0.00 0.00 52.55 53.10 1t8d s ASP 115 Cb -0.12 -2.49 0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1t8d s ASP 115 CO -0.05 -1.10 0.52 0.00 -0.17 0.00 0.00 175.17 174.37 1t8d s ALA 116 N 3.97 -1.24 0.15 3.66 0.00 -0.93 -4.76 121.76 122.61 1t8d s ALA 116 Ca 0.41 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.20 1t8d s ALA 116 Cb -0.09 0.81 -0.18 0.00 0.00 0.00 0.00 23.12 23.67 1t8d s ALA 116 CO 0.28 -0.74 0.75 0.34 0.00 0.00 0.00 175.76 176.38 1t8d n PHE 117 N -0.32 0.04 0.32 0.00 7.35 -0.77 -3.06 117.46 121.03 1t8d n PHE 117 Ca -0.15 0.96 0.18 0.00 -0.76 0.00 0.00 57.45 57.69 1t8d n PHE 117 Cb 0.64 -2.03 0.97 0.00 0.35 0.00 0.00 39.48 39.41 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 -3.08 7.92 0.00 0.00 2.03 -1.26 -4.11 116.55 118.05 1t8d n ASP 119 Ca -0.02 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.37 1t8d n ASP 119 Cb 0.26 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.26 0.00 -2.66 -0.67 3.00 -1.16 -5.07 116.66 112.37 1t8d n ARG 120 Ca 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 58.46 1t8d n ARG 120 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.83 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 0.20 0.00 -0.14 0.00 -1.26 -5.14 118.16 111.82 1t8d n LYS 121 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 58.31 57.56 1t8d n LYS 121 Cb 0.00 -0.09 0.00 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 -0.07 0.00 0.00 3.14 4.32 -1.26 -4.87 117.00 118.25 1t8d n LEU 122 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1t8d n LEU 122 Cb 0.70 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 1t8d n LEU 122 CO -0.11 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.67 1t8d n GLY 123 N 5.00 0.25 2.91 -0.72 0.00 -1.26 -4.82 105.19 106.54 1t8d n GLY 123 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.73 -0.17 4.61 0.00 -1.25 -2.88 121.76 122.80 1t8d s ALA 124 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 1t8d s ALA 124 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1t8d s ALA 124 CO 0.00 0.01 0.12 1.67 0.00 0.00 0.00 175.76 177.56 1t8d s TRP 125 N 0.86 3.44 -0.06 0.00 1.48 0.44 -3.56 118.94 121.55 1t8d s TRP 125 Ca -0.12 0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.28 1t8d s TRP 125 Cb -0.15 -2.07 0.02 0.00 -1.16 0.00 0.00 33.47 30.11 1t8d s TRP 125 CO 0.01 0.41 -0.07 0.54 -4.06 0.00 0.00 176.95 173.77 1t8d s VAL 126 N -0.09 0.76 0.10 -0.66 0.11 -1.25 -1.35 120.40 118.03 1t8d s VAL 126 Ca 0.10 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1t8d s VAL 126 Cb -0.11 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1t8d s VAL 126 CO 0.00 0.28 0.05 0.00 -3.33 0.00 0.00 175.10 172.10 1t8d s ASP 128 N -2.98 2.25 0.28 0.00 -4.77 0.13 0.22 116.67 111.79 1t8d s ASP 128 Ca 0.16 -0.45 -0.16 0.00 -3.30 0.00 0.00 52.55 48.80 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 -0.04 0.16 0.60 0.00 0.70 0.00 0.00 175.17 176.59 1t8d s ARG 129 N -0.93 1.72 0.29 2.11 1.70 -0.68 0.88 118.95 124.03 1t8d s ARG 129 Ca 0.06 -1.19 -0.27 0.00 -0.47 0.00 0.00 55.73 53.86 1t8d s ARG 129 Cb -0.08 0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 1t8d s ARG 129 CO 0.01 -0.75 0.93 -0.51 -1.08 0.00 0.00 175.30 173.90 1t8d s LEU 130 N -3.00 4.43 0.51 -1.89 2.01 -1.26 -0.00 118.68 119.48 1t8d s LEU 130 Ca 0.18 1.85 -0.19 0.00 0.01 0.00 0.00 54.13 55.98 1t8d s LEU 130 Cb -0.03 -3.87 -0.12 0.00 0.01 0.00 0.00 46.19 42.18 1t8d s LEU 130 CO 0.09 0.00 0.29 0.00 1.01 0.00 0.00 176.35 177.75 1t8d n ALA 131 N 0.84 -1.94 -3.12 4.21 0.00 -0.94 -4.76 120.51 114.80 1t8d n ALA 131 Ca 0.01 0.02 -0.45 0.00 0.00 0.00 0.00 53.44 53.01 1t8d n ALA 131 Cb 0.49 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.76 5.09 0.41 0.00 2.01 -1.26 -5.00 115.64 115.13 1t8d s THR 132 Ca 0.63 -1.82 0.04 0.00 0.31 0.00 0.00 61.69 60.85 1t8d s THR 132 Cb -0.50 -4.60 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 1t8d s THR 132 CO 0.59 -1.25 0.12 0.00 -0.69 0.00 0.00 174.62 173.39 1t8d s THR 134 N -3.20 4.23 0.13 0.00 2.01 -1.20 -5.01 115.64 112.59 1t8d s THR 134 Ca 0.24 -0.22 -0.33 0.00 0.31 0.00 0.00 61.69 61.69 1t8d s THR 134 Cb 0.03 -2.93 -0.13 0.00 0.01 0.00 0.00 72.50 69.48 1t8d s THR 134 CO 0.14 0.40 1.69 -2.65 -0.69 0.00 0.00 174.62 173.52 1t8d n PRO 135 N 4.35 2.38 -2.14 4.92 -0.02 -1.26 -4.89 135.00 138.34 1t8d n PRO 135 Ca -0.17 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 1t8d n PRO 135 Cb 0.52 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 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 1.74 2.88 0.10 0.52 0.04 -1.26 -4.58 135.00 134.45 1t8d s PRO 136 Ca 0.81 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1t8d s PRO 136 Cb -0.61 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1t8d s PRO 136 CO 0.39 -2.43 0.00 0.00 0.04 0.00 0.00 177.00 174.99 1t8d n ALA 137 N 11.60 2.26 -3.44 8.56 0.00 -1.26 -5.04 120.51 133.20 1t8d n ALA 137 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.37 1t8d n ALA 137 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.79 -5.29 -4.70 0.00 7.64 -1.26 -4.94 113.62 102.28 1t8d n SER 138 Ca 0.00 -0.48 -0.40 0.00 1.01 0.00 0.00 58.87 58.99 1t8d n SER 138 Cb 0.00 -4.25 -0.04 0.00 -1.01 0.00 0.00 64.21 58.90 1t8d n SER 138 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1t8d s GLU 139 N -6.13 4.40 0.00 1.43 -6.30 -1.26 -4.95 118.70 105.89 1t8d s GLU 139 Ca 0.47 0.94 0.00 0.00 -2.50 0.00 0.00 54.97 53.89 1t8d s GLU 139 Cb -0.23 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.42 1t8d s GLU 139 CO 0.58 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1t8d n GLY 140 N 3.22 1.10 3.76 -1.50 0.00 -1.26 -5.14 105.19 105.36 1t8d n GLY 140 Ca 0.01 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 1t8d n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8d s SER 141 N 0.00 7.11 -0.83 1.61 1.04 -1.26 -4.98 113.70 116.39 1t8d s SER 141 Ca 0.00 2.39 0.02 0.00 0.48 0.00 0.00 55.95 58.84 1t8d s SER 141 Cb 0.00 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.78 1t8d s SER 141 CO 0.00 -0.27 1.16 0.00 0.98 0.00 0.00 173.24 175.12 1t8d n ALA 142 N 1.04 4.80 1.31 5.32 0.00 -1.26 -5.33 120.51 126.39 1t8d n ALA 142 Ca -0.01 -4.76 0.10 0.00 0.00 0.00 0.00 53.44 48.78 1t8d n ALA 142 Cb 0.44 -1.53 0.62 0.00 0.00 0.00 0.00 19.45 18.98 1t8d n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89