#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8d n GLY 2 N 0.00 -0.30 2.68 0.46 0.00 -1.26 -5.00 105.19 101.77 1t8d n GLY 2 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1t8d n GLY 2 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t8d n PHE 3 N -0.07 -1.45 -2.27 1.61 3.72 -1.26 -4.91 117.46 112.82 1t8d n PHE 3 Ca 0.00 0.19 -0.26 0.00 -0.05 0.00 0.00 57.45 57.33 1t8d n PHE 3 Cb 0.14 -3.71 0.14 0.00 -0.94 0.00 0.00 39.48 35.10 1t8d n PHE 3 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1t8d s VAL 4 N -2.96 2.09 0.00 -4.37 -7.23 -1.26 -4.84 120.40 101.83 1t8d s VAL 4 Ca 0.13 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1t8d s VAL 4 Cb -0.06 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1t8d s VAL 4 CO 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.95 1t8d s ASN 6 N -1.95 -0.60 0.00 0.00 2.20 -1.26 -4.97 114.94 108.35 1t8d s ASN 6 Ca 0.00 0.62 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1t8d s ASN 6 Cb 0.00 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.77 1t8d s ASN 6 CO 0.00 -0.61 0.00 1.07 -2.94 0.00 0.00 177.10 174.62 1t8d n THR 7 N 0.89 0.00 -1.77 0.54 5.66 -1.26 -4.72 114.28 113.62 1t8d n THR 7 Ca -0.19 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.42 1t8d n THR 7 Cb 0.57 -0.10 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 1t8d n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8d s PRO 9 N -2.84 3.77 0.09 0.00 0.04 -1.26 -4.58 135.00 130.22 1t8d s PRO 9 Ca 0.70 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1t8d s PRO 9 Cb -0.41 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1t8d s PRO 9 CO 0.50 0.45 0.00 -1.91 0.04 0.00 0.00 177.00 176.08 1t8d n GLU 10 N 0.38 -3.22 0.00 4.56 2.13 -1.26 -4.06 120.64 119.17 1t8d n GLU 10 Ca -0.04 2.29 0.00 0.00 0.66 0.00 0.00 57.16 60.07 1t8d n GLU 10 Cb 0.52 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.42 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 1.83 0.00 -1.17 5.31 4.76 -1.26 -2.75 118.16 124.88 1t8d n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1t8d n LYS 11 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1t8d n LYS 11 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 1t8d n TRP 12 N 0.00 0.00 -4.41 2.13 4.27 -1.24 -4.82 117.44 113.37 1t8d n TRP 12 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 1t8d n TRP 12 Cb 0.00 -0.52 -0.17 0.00 -1.36 0.00 0.00 31.31 29.26 1t8d n TRP 12 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1t8d s ILE 13 N 0.00 1.39 0.10 -1.67 -1.09 0.23 -4.92 121.20 115.23 1t8d s ILE 13 Ca 0.00 -0.57 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1t8d s ILE 13 Cb 0.00 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 1t8d s ILE 13 CO 0.00 0.42 0.05 0.21 -1.23 0.00 0.00 174.94 174.39 1t8d s ASN 14 N 1.03 5.30 0.00 3.58 3.84 -1.26 0.53 114.94 127.95 1t8d s ASN 14 Ca -0.06 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 52.90 1t8d s ASN 14 Cb -0.15 -1.35 0.00 0.00 -0.55 0.00 0.00 41.25 39.21 1t8d s ASN 14 CO -0.02 0.15 0.00 0.49 -2.79 0.00 0.00 177.10 174.94 1t8d n PHE 15 N 0.35 0.00 -0.13 0.43 3.72 0.59 -4.98 117.46 117.45 1t8d n PHE 15 Ca -0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.26 1t8d n PHE 15 Cb 0.52 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.19 0.00 -1.08 1.08 -2.04 -3.41 115.11 109.85 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 0.12 0.00 2.89 -0.95 0.00 0.00 178.83 180.89 1t8d n ARG 17 N -5.12 0.00 -4.30 1.46 1.85 -1.26 -4.79 116.66 104.50 1t8d n ARG 17 Ca 0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.64 1t8d n ARG 17 Cb 0.20 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.53 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 0.05 2.89 -2.85 -1.26 -3.11 119.74 117.64 1t8d s LYS 18 Ca 0.00 -1.37 0.03 0.00 -1.00 0.00 0.00 55.97 53.63 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 0.39 -0.09 0.00 0.10 0.00 0.00 175.35 175.75 1t8d s TYR 20 N -1.45 2.01 -0.38 0.00 1.51 0.19 -0.53 117.35 118.70 1t8d s TYR 20 Ca -0.07 -1.10 -0.12 0.00 -1.01 0.00 0.00 57.07 54.76 1t8d s TYR 20 Cb -0.09 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1t8d s TYR 20 CO 0.01 -0.63 0.23 1.52 -1.11 0.00 0.00 175.55 175.57 1t8d s TYR 21 N 1.51 3.23 -1.29 2.71 1.13 0.08 0.74 117.35 125.47 1t8d s TYR 21 Ca 0.04 -0.75 -0.07 0.00 -1.41 0.00 0.00 57.07 54.89 1t8d s TYR 21 Cb -0.13 -2.48 0.15 0.00 -1.10 0.00 0.00 41.96 38.40 1t8d s TYR 21 CO -0.10 -0.59 2.11 1.19 -2.51 0.00 0.00 175.55 175.66 1t8d n PHE 22 N 5.05 2.72 -1.40 -3.49 3.72 -1.11 -2.43 117.46 120.54 1t8d n PHE 22 Ca -0.12 -2.79 -0.29 0.00 -0.05 0.00 0.00 57.45 54.20 1t8d n PHE 22 Cb 0.47 -1.85 0.13 0.00 -0.94 0.00 0.00 39.48 37.29 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 0.46 1.60 -0.00 1.37 0.00 0.62 -4.34 107.32 107.03 1t8d s GLY 23 Ca 0.46 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 45.01 1t8d s GLY 23 CO -0.04 0.25 -0.24 -1.59 0.00 0.00 0.00 173.10 171.48 1t8d s LYS 24 N -5.09 2.09 0.00 2.90 -2.85 -1.26 0.42 119.74 115.95 1t8d s LYS 24 Ca 0.63 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1t8d s LYS 24 Cb -0.16 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 1t8d s LYS 24 CO 0.55 0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.97 1t8d n GLY 25 N 2.18 3.10 3.15 0.59 0.00 0.01 -4.64 105.19 109.58 1t8d n GLY 25 Ca -0.16 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1t8d n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t8d s THR 26 N -0.39 -0.62 0.00 2.61 -4.23 -1.26 -3.85 115.64 107.89 1t8d s THR 26 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1t8d s THR 26 Cb 0.00 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1t8d s THR 26 CO 0.00 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.37 1t8d n LYS 27 N 5.31 0.00 -2.55 3.99 2.85 -1.26 -5.11 118.16 121.39 1t8d n LYS 27 Ca 0.05 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.25 1t8d n LYS 27 Cb 0.55 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.91 1t8d n LYS 27 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1t8d n GLN 28 N 0.00 0.90 0.01 -1.58 6.02 -1.26 -4.86 117.38 116.61 1t8d n GLN 28 Ca 0.00 -0.78 -0.13 0.00 -0.01 0.00 0.00 57.00 56.08 1t8d n GLN 28 Cb 0.00 0.42 -0.09 0.00 1.02 0.00 0.00 30.24 31.59 1t8d n GLN 28 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1t8d h TRP 29 N 1.15 -0.01 -0.62 1.08 7.01 -1.97 -2.84 115.95 119.75 1t8d h TRP 29 Ca -0.07 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.08 1t8d h TRP 29 Cb 0.28 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1t8d h TRP 29 CO 0.00 0.31 0.43 -0.39 -2.79 0.00 0.00 178.44 176.00 1t8d h VAL 30 N -0.33 0.75 0.00 2.65 -1.51 -1.97 0.40 116.25 116.25 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 0.32 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1t8d h VAL 30 CO 0.00 0.03 -0.48 0.45 -1.23 0.00 0.00 177.57 176.34 1t8d h HIS 31 N 0.15 0.00 -0.03 5.19 3.86 -1.92 -2.47 115.15 119.93 1t8d h HIS 31 Ca 0.30 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1t8d h HIS 31 Cb 0.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 1t8d h HIS 31 CO -0.00 0.48 -0.03 0.00 0.86 0.00 0.00 177.93 179.24 1t8d h ALA 32 N 1.52 0.04 -0.96 2.45 0.00 0.02 -1.93 119.26 120.40 1t8d h ALA 32 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1t8d h ALA 32 Cb 0.97 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1t8d h ALA 32 CO 0.06 -0.17 0.59 0.07 0.00 0.00 0.00 179.25 179.80 1t8d h ARG 33 N -0.41 1.30 -0.45 0.00 -0.00 -1.45 -1.27 114.38 112.10 1t8d h ARG 33 Ca 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.98 59.84 1t8d h ARG 33 Cb 0.55 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.97 30.23 1t8d h ARG 33 CO 0.01 0.90 0.15 -0.92 -0.00 0.00 0.00 179.97 180.10 1t8d h TYR 34 N 1.32 0.66 -0.58 4.08 5.03 -1.43 -1.88 116.97 124.17 1t8d h TYR 34 Ca 0.35 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.57 1t8d h TYR 34 Cb -0.07 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 37.98 1t8d h TYR 34 CO 0.00 0.55 0.16 0.00 -1.32 0.00 0.00 178.16 177.55 1t8d h ALA 35 N 1.51 0.77 -0.08 1.82 0.00 -0.43 -2.21 119.26 120.64 1t8d h ALA 35 Ca 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1t8d h ALA 35 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1t8d h ALA 35 CO -0.01 0.45 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 1t8d h ASP 37 N -0.16 0.04 0.64 0.00 3.58 -1.16 0.27 116.42 119.63 1t8d h ASP 37 Ca 0.07 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 1t8d h ASP 37 Cb 0.25 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1t8d h ASP 37 CO -0.17 0.02 -0.39 -0.78 -2.88 0.00 0.00 179.24 175.04 1t8d h ASP 38 N 0.04 0.00 -0.12 2.28 1.82 -0.48 -2.65 116.42 117.32 1t8d h ASP 38 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1t8d h ASP 38 Cb 0.68 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1t8d h ASP 38 CO -0.01 0.39 0.00 0.23 -1.61 0.00 0.00 179.24 178.24 1t8d n MET 39 N -3.72 1.96 -2.48 0.28 2.81 0.54 -4.96 117.12 111.54 1t8d n MET 39 Ca -0.01 -1.83 -0.14 0.00 -1.81 0.00 0.00 57.70 53.91 1t8d n MET 39 Cb 0.47 -1.41 0.01 0.00 -0.71 0.00 0.00 33.22 31.58 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 1.18 -2.02 0.00 0.03 1.02 0.66 -4.96 120.64 116.55 1t8d n GLU 40 Ca 0.13 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1t8d n GLU 40 Cb 0.52 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 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 -1.12 1.34 3.44 0.62 0.00 -0.15 -4.77 105.19 104.56 1t8d n GLY 41 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 3.83 1.18 -0.37 1.61 2.00 0.29 -4.67 119.66 123.53 1t8d s GLN 42 Ca 0.00 -0.38 -0.29 0.00 -2.00 0.00 0.00 55.36 52.69 1t8d s GLN 42 Cb 0.00 0.55 0.01 0.00 0.80 0.00 0.00 33.01 34.37 1t8d s GLN 42 CO 0.00 -0.51 1.29 -1.17 -0.50 0.00 0.00 175.29 174.41 1t8d s LEU 43 N -2.56 3.73 0.00 3.68 2.96 -1.26 0.10 118.68 125.33 1t8d s LEU 43 Ca 0.01 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 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 -0.10 -1.22 0.00 1.33 -1.32 0.00 0.00 176.35 175.03 1t8d n VAL 44 N 6.61 0.00 -2.97 1.68 0.24 -1.25 -3.24 118.33 119.40 1t8d n VAL 44 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.32 1t8d n VAL 44 Cb 0.48 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.22 -4.00 -4.60 -1.34 2.88 -1.26 -4.61 113.62 100.47 1t8d n SER 45 Ca 0.00 -0.52 -0.44 0.00 -1.33 0.00 0.00 58.87 56.58 1t8d n SER 45 Cb 0.00 -4.12 -0.01 0.00 -0.75 0.00 0.00 64.21 59.33 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 -3.10 2.02 -0.37 2.46 -0.00 -1.26 -4.82 119.36 114.29 1t8d n ILE 46 Ca -0.13 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1t8d n ILE 46 Cb 0.61 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 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 0.18 0.00 -4.33 4.28 1.44 -1.26 -4.92 115.22 110.61 1t8d n HIS 47 Ca 0.09 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.47 1t8d n HIS 47 Cb 0.33 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 1t8d n HIS 47 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t8d s SER 48 N -0.12 3.06 0.56 4.39 0.15 -1.26 -4.89 113.70 115.59 1t8d s SER 48 Ca 0.00 -0.61 0.37 0.00 0.70 0.00 0.00 55.95 56.41 1t8d s SER 48 Cb 0.00 -1.43 1.50 0.00 -1.71 0.00 0.00 66.02 64.38 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 7.70 0.00 -0.07 5.44 0.11 -1.99 0.56 132.00 143.74 1t8d h PRO 49 Ca -0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 1t8d h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8d h PRO 49 CO 0.59 0.00 -0.29 1.49 -0.21 0.00 0.00 178.00 179.58 1t8d h GLU 50 N 0.00 0.33 -0.26 1.05 4.81 -1.98 -2.16 114.58 116.37 1t8d h GLU 50 Ca 0.56 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1t8d h GLU 50 Cb 2.43 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.84 1t8d h GLU 50 CO -0.01 0.89 0.11 0.93 -0.73 0.00 0.00 179.01 180.20 1t8d h GLU 51 N -0.17 0.38 -0.96 1.92 4.39 -0.36 0.78 114.58 120.56 1t8d h GLU 51 Ca -0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1t8d h GLU 51 Cb 0.94 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1t8d h GLU 51 CO 0.06 0.40 0.63 -0.56 -1.16 0.00 0.00 179.01 178.39 1t8d h GLN 52 N 0.27 1.19 -0.17 2.33 -0.00 -1.19 -0.05 115.11 117.49 1t8d h GLN 52 Ca 0.09 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.53 1t8d h GLN 52 Cb 0.16 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 27.36 1t8d h GLN 52 CO -0.01 0.79 -0.46 0.22 -0.00 0.00 0.00 178.83 179.37 1t8d h ASP 53 N 1.23 0.46 0.06 0.06 1.82 -0.97 0.40 116.42 119.47 1t8d h ASP 53 Ca 0.38 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1t8d h ASP 53 Cb -0.01 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1t8d h ASP 53 CO -0.12 0.86 -0.06 -0.26 -1.61 0.00 0.00 179.24 178.05 1t8d h PHE 54 N 0.35 -0.15 -0.05 0.28 -1.00 0.23 0.23 116.94 116.83 1t8d h PHE 54 Ca 0.02 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.63 1t8d h PHE 54 Cb 0.94 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 1t8d h PHE 54 CO 0.03 -0.09 -0.72 1.37 -1.61 0.00 0.00 178.31 177.28 1t8d h LEU 55 N -0.13 0.31 -0.68 1.54 8.10 -1.15 -1.58 115.31 121.72 1t8d h LEU 55 Ca 0.00 -0.21 -0.00 0.00 0.11 0.00 0.00 57.88 57.79 1t8d h LEU 55 Cb 0.13 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.23 1t8d h LEU 55 CO -0.02 0.93 0.42 0.74 -4.11 0.00 0.00 178.44 176.39 1t8d h THR 56 N 0.17 1.19 -0.06 0.15 2.02 -0.52 0.83 112.91 116.70 1t8d h THR 56 Ca -0.02 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.56 1t8d h THR 56 Cb 1.28 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1t8d h THR 56 CO 0.11 0.20 -0.76 0.50 0.37 0.00 0.00 175.52 175.94 1t8d h LYS 57 N 0.92 0.37 0.00 6.66 3.64 -0.51 -3.01 116.57 124.64 1t8d h LYS 57 Ca 0.24 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1t8d h LYS 57 Cb -0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1t8d h LYS 57 CO -0.05 0.97 -0.46 1.25 -2.27 0.00 0.00 179.45 178.89 1t8d h HIS 58 N 0.25 0.00 -0.89 1.91 2.76 -0.54 -3.39 115.15 115.24 1t8d h HIS 58 Ca -0.04 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.76 1t8d h HIS 58 Cb 1.35 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.24 1t8d h HIS 58 CO 0.04 0.46 0.94 0.00 -1.30 0.00 0.00 177.93 178.08 1t8d s ALA 59 N -3.96 1.94 -0.01 5.26 0.00 0.28 -4.95 121.76 120.33 1t8d s ALA 59 Ca -0.02 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 1t8d s ALA 59 Cb 0.14 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 1t8d s ALA 59 CO 0.74 -4.48 1.23 -1.54 0.00 0.00 0.00 175.76 171.71 1t8d s SER 60 N 7.27 7.03 0.00 0.00 1.04 -1.26 -4.53 113.70 123.25 1t8d s SER 60 Ca 0.64 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.99 1t8d s SER 60 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1t8d s SER 60 CO -0.02 -0.57 0.00 1.41 0.98 0.00 0.00 173.24 175.05 1t8d n HIS 61 N 4.80 0.00 -0.61 5.02 8.25 -1.26 -4.76 115.22 126.67 1t8d n HIS 61 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 1t8d n HIS 61 Cb 0.46 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.83 1t8d n HIS 61 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1t8d s THR 62 N 0.00 1.60 0.00 1.59 -4.23 -1.26 -5.00 115.64 108.35 1t8d s THR 62 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1t8d s THR 62 Cb 0.00 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1t8d s THR 62 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1t8d n GLY 63 N 0.61 1.72 3.12 3.99 0.00 -1.26 -4.77 105.19 108.61 1t8d n GLY 63 Ca 0.09 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1t8d n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8d s SER 64 N -1.00 1.16 -0.16 1.61 1.04 -1.15 -3.48 113.70 111.71 1t8d s SER 64 Ca 0.00 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 1t8d s SER 64 Cb 0.00 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 1t8d s SER 64 CO 0.00 -0.24 0.21 0.26 0.98 0.00 0.00 173.24 174.44 1t8d s TRP 65 N -1.98 3.48 0.37 5.02 0.51 -1.22 -2.53 118.94 122.59 1t8d s TRP 65 Ca -0.02 0.50 0.08 0.00 -2.12 0.00 0.00 56.10 54.55 1t8d s TRP 65 Cb -0.06 -2.19 -0.05 0.00 -0.81 0.00 0.00 33.47 30.36 1t8d s TRP 65 CO -0.00 0.38 0.08 0.96 -0.51 0.00 0.00 176.95 177.86 1t8d s ILE 66 N 0.04 2.51 -0.70 2.03 -4.36 -1.26 -4.21 121.20 115.25 1t8d s ILE 66 Ca 0.13 -1.86 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 1t8d s ILE 66 Cb -0.12 -2.90 -0.15 0.00 1.25 0.00 0.00 42.46 40.54 1t8d s ILE 66 CO 0.02 -0.11 2.85 0.61 0.24 0.00 0.00 174.94 178.55 1t8d n GLY 67 N -1.07 3.26 3.07 6.27 0.00 -1.20 -4.65 105.19 110.87 1t8d n GLY 67 Ca -0.03 -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 0.07 1.74 -0.04 0.99 1.98 -1.26 -1.81 118.68 120.36 1t8d s LEU 68 Ca 0.57 -0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.38 1t8d s LEU 68 Cb 0.20 -1.07 0.03 0.00 0.66 0.00 0.00 46.19 46.02 1t8d s LEU 68 CO -0.03 0.04 0.05 -0.60 -1.89 0.00 0.00 176.35 173.92 1t8d s ARG 69 N 0.84 0.04 0.08 1.98 3.52 0.14 -3.60 118.95 121.96 1t8d s ARG 69 Ca -0.10 0.31 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 1t8d s ARG 69 Cb -0.15 -0.56 -0.07 0.00 -1.56 0.00 0.00 34.95 32.61 1t8d s ARG 69 CO 0.01 -0.30 0.59 1.21 -0.81 0.00 0.00 175.30 175.99 1t8d s ASN 70 N 2.00 7.09 0.15 -2.12 3.84 -1.22 -0.60 114.94 124.08 1t8d s ASN 70 Ca 0.03 1.30 -0.30 0.00 0.21 0.00 0.00 52.86 54.10 1t8d s ASN 70 Cb -0.12 -2.37 -0.07 0.00 -0.55 0.00 0.00 41.25 38.13 1t8d s ASN 70 CO -0.03 0.27 1.20 -0.76 -2.79 0.00 0.00 177.10 174.99 1t8d s LEU 71 N -1.10 4.43 0.00 3.21 1.43 -1.05 -4.60 118.68 121.00 1t8d s LEU 71 Ca 0.30 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1t8d s LEU 71 Cb -0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1t8d s LEU 71 CO 0.20 -0.40 0.00 0.47 0.23 0.00 0.00 176.35 176.84 1t8d n ASP 72 N 2.96 0.00 0.02 2.29 9.92 -1.26 -2.80 116.55 127.68 1t8d n ASP 72 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1t8d n ASP 72 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1t8d n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8d n LEU 73 N 0.00 -0.44 -1.15 0.64 -0.00 -1.26 -4.71 117.00 110.08 1t8d n LEU 73 Ca 0.00 0.11 0.11 0.00 -0.00 0.00 0.00 56.01 56.23 1t8d n LEU 73 Cb 0.00 0.73 0.27 0.00 -0.00 0.00 0.00 43.42 44.42 1t8d n LEU 73 CO 0.00 -0.28 0.73 0.29 -0.00 0.00 0.00 177.39 178.14 1t8d n LYS 74 N -2.49 2.47 0.00 1.47 4.76 -1.26 -4.91 118.16 118.20 1t8d n LYS 74 Ca 0.00 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.18 1t8d n LYS 74 Cb 0.00 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1t8d n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t8d n GLY 75 N 1.51 -0.66 3.38 0.72 0.00 -1.12 -5.06 105.19 103.96 1t8d n GLY 75 Ca 0.21 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1t8d n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 76 N 0.00 1.84 -0.11 1.61 2.02 -1.26 -4.88 118.70 117.92 1t8d s GLU 76 Ca 0.00 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 1t8d s GLU 76 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 1t8d s GLU 76 CO 0.00 0.51 1.45 -0.06 0.02 0.00 0.00 175.26 177.18 1t8d s PHE 77 N -0.86 2.44 -0.01 1.61 0.08 -1.26 -2.54 117.98 117.43 1t8d s PHE 77 Ca 0.13 0.62 0.07 0.00 0.12 0.00 0.00 56.93 57.87 1t8d s PHE 77 Cb -0.10 -3.70 -0.02 0.00 -0.57 0.00 0.00 43.02 38.62 1t8d s PHE 77 CO 0.03 -2.74 -0.24 0.42 -0.10 0.00 0.00 175.22 172.60 1t8d s ILE 78 N 3.71 2.26 0.48 0.64 1.01 0.23 -2.50 121.20 127.04 1t8d s ILE 78 Ca 0.64 -1.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 1t8d s ILE 78 Cb -0.27 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.29 1t8d s ILE 78 CO 0.22 0.54 1.05 0.26 0.00 0.00 0.00 174.94 177.01 1t8d s TRP 79 N -0.67 2.99 0.61 3.97 0.51 0.13 0.25 118.94 126.74 1t8d s TRP 79 Ca 0.11 1.58 0.33 0.00 -2.12 0.00 0.00 56.10 56.00 1t8d s TRP 79 Cb -0.10 -3.09 1.94 0.00 -0.81 0.00 0.00 33.47 31.41 1t8d s TRP 79 CO -0.00 -0.87 2.26 -0.24 -0.51 0.00 0.00 176.95 177.59 1t8d h VAL 80 N 1.58 0.39 0.00 4.03 3.04 -1.67 0.26 116.25 123.88 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 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 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 -3.65 0.00 -0.14 3.17 2.03 -1.26 -4.86 116.55 111.84 1t8d n ASP 81 Ca -0.02 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1t8d n ASP 81 Cb 0.12 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.78 0.72 2.86 0.27 0.00 0.90 -5.07 105.19 105.65 1t8d n GLY 82 Ca 0.20 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.85 1.70 0.54 1.61 0.15 -1.21 -4.92 113.70 108.73 1t8d s SER 83 Ca 0.00 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.25 1t8d s SER 83 Cb 0.00 -0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 63.65 1t8d s SER 83 CO 0.00 -0.13 1.22 0.00 1.20 0.00 0.00 173.24 175.53 1t8d n HIS 84 N 4.80 1.82 -1.56 3.44 1.44 -1.26 -0.69 115.22 123.21 1t8d n HIS 84 Ca -0.13 0.45 -0.39 0.00 -2.01 0.00 0.00 57.72 55.64 1t8d n HIS 84 Cb 0.50 -2.29 0.04 0.00 0.12 0.00 0.00 29.99 28.36 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 -1.13 2.89 0.00 0.61 0.31 -1.04 -4.79 118.33 115.17 1t8d n VAL 85 Ca 0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1t8d n VAL 85 Cb 0.44 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1t8d n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8d n ASP 86 N -0.01 3.59 0.01 4.52 8.00 -1.26 -4.92 116.55 126.49 1t8d n ASP 86 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1t8d n ASP 86 Cb 0.45 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 1t8d n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t8d n TYR 87 N -1.21 -0.04 -1.55 1.24 4.02 -1.26 -5.15 117.16 113.21 1t8d n TYR 87 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1t8d n TYR 87 Cb 0.09 0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 -3.08 -8.33 0.00 7.72 7.64 -1.26 -4.98 113.62 111.33 1t8d n SER 88 Ca 0.00 1.74 0.00 0.00 1.01 0.00 0.00 58.87 61.62 1t8d n SER 88 Cb 0.36 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 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 -2.31 0.04 -3.98 6.43 3.02 -1.26 -5.07 115.26 112.14 1t8d n ASN 89 Ca 0.00 -0.40 -0.52 0.00 -0.03 0.00 0.00 54.58 53.63 1t8d n ASN 89 Cb 0.40 0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.95 -1.39 3.10 4.27 -1.26 -3.62 117.44 119.42 1t8d n TRP 90 Ca 0.00 0.63 -0.52 0.00 -3.89 0.00 0.00 57.50 53.72 1t8d n TRP 90 Cb 0.08 -2.13 -0.06 0.00 -1.36 0.00 0.00 31.31 27.84 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 7.54 -3.26 1.83 -1.67 0.00 0.11 -4.82 120.51 120.24 1t8d n ALA 91 Ca 0.53 0.52 0.09 0.00 0.00 0.00 0.00 53.44 54.58 1t8d n ALA 91 Cb -0.02 -1.62 0.48 0.00 0.00 0.00 0.00 19.45 18.28 1t8d n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t8d n PRO 92 N 1.26 1.16 0.00 0.00 -0.04 -1.26 -4.49 135.00 131.63 1t8d n PRO 92 Ca 0.18 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1t8d n PRO 92 Cb 0.13 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1t8d n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t8d n GLY 93 N 0.85 -1.68 2.41 0.55 0.00 -1.26 -4.84 105.19 101.21 1t8d n GLY 93 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1t8d n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t8d s GLU 94 N 0.00 0.84 -0.20 1.61 2.56 -1.26 -5.10 118.70 117.14 1t8d s GLU 94 Ca 0.00 -1.95 -0.32 0.00 0.00 0.00 0.00 54.97 52.70 1t8d s GLU 94 Cb 0.00 -1.37 -0.09 0.00 2.00 0.00 0.00 34.13 34.67 1t8d s GLU 94 CO 0.00 -1.36 2.10 -2.30 -0.56 0.00 0.00 175.26 173.15 1t8d n PRO 95 N 3.06 1.84 -1.96 4.30 -0.02 -1.26 -4.90 135.00 136.07 1t8d n PRO 95 Ca 0.27 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 1t8d n PRO 95 Cb 0.46 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 1t8d n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1t8d s THR 96 N 6.59 3.03 0.00 3.45 -4.23 -1.26 -4.82 115.64 118.41 1t8d s THR 96 Ca 1.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1t8d s THR 96 Cb -0.59 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1t8d s THR 96 CO 0.44 0.01 0.36 -0.24 -0.54 0.00 0.00 174.62 174.64 1t8d n SER 97 N 5.30 0.00 0.24 3.99 2.88 -1.26 -4.51 113.62 120.26 1t8d n SER 97 Ca 0.15 -1.10 0.11 0.00 -1.33 0.00 0.00 58.87 56.70 1t8d n SER 97 Cb 0.40 -0.02 0.60 0.00 -0.75 0.00 0.00 64.21 64.44 1t8d n SER 97 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1t8d h ARG 98 N 0.00 0.00 -5.30 -1.46 -0.00 -2.01 -3.41 114.38 102.19 1t8d h ARG 98 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 59.98 59.34 1t8d h ARG 98 Cb 1.04 0.00 -0.24 0.00 -0.00 0.00 0.00 29.97 30.77 1t8d h ARG 98 CO 0.00 0.18 -0.70 0.45 -0.00 0.00 0.00 179.97 179.90 1t8d s SER 99 N -6.20 4.50 -0.26 0.08 0.15 -1.26 -5.09 113.70 105.62 1t8d s SER 99 Ca -0.01 -0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.20 1t8d s SER 99 Cb 0.12 -1.72 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 1t8d s SER 99 CO 0.61 0.16 0.75 -1.58 1.20 0.00 0.00 173.24 174.38 1t8d s GLN 100 N 0.38 4.13 0.00 5.44 0.74 -1.26 -4.69 119.66 124.39 1t8d s GLN 100 Ca -0.06 0.74 0.00 0.00 0.05 0.00 0.00 55.36 56.09 1t8d s GLN 100 Cb -0.15 -3.66 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1t8d s GLN 100 CO 0.04 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.69 1t8d n GLY 101 N 3.97 0.31 0.00 2.59 0.00 -1.18 -5.06 105.19 105.81 1t8d n GLY 101 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.68 0.00 -3.15 1.61 1.02 -0.47 -4.91 120.64 114.06 1t8d n GLU 102 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1t8d n GLU 102 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1t8d n GLU 102 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1t8d s ASP 103 N 1.36 -0.32 -0.06 1.62 1.47 -1.26 -4.61 116.67 114.86 1t8d s ASP 103 Ca 0.00 0.11 -0.31 0.00 1.18 0.00 0.00 52.55 53.53 1t8d s ASP 103 Cb 0.00 1.24 0.11 0.00 -0.34 0.00 0.00 42.92 43.93 1t8d s ASP 103 CO 0.00 -0.06 1.01 0.00 0.68 0.00 0.00 175.17 176.80 1t8d s VAL 105 N -2.86 3.41 0.40 0.00 1.01 -1.24 -2.62 120.40 118.50 1t8d s VAL 105 Ca 0.07 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1t8d s VAL 105 Cb -0.01 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 1t8d s VAL 105 CO -0.07 0.58 0.03 0.00 0.00 0.00 0.00 175.10 175.63 1t8d s MET 106 N -0.51 2.00 -0.09 2.72 0.23 -0.20 -4.08 119.30 119.37 1t8d s MET 106 Ca 0.07 -2.02 0.03 0.00 -1.03 0.00 0.00 55.69 52.74 1t8d s MET 106 Cb -0.12 -1.73 0.01 0.00 -1.53 0.00 0.00 34.83 31.46 1t8d s MET 106 CO 0.02 -0.03 -0.18 1.41 -2.03 0.00 0.00 175.02 174.21 1t8d s MET 107 N -3.73 2.41 0.00 3.16 0.00 -1.05 0.60 119.30 120.69 1t8d s MET 107 Ca 0.36 -0.66 0.00 0.00 0.00 0.00 0.00 55.69 55.39 1t8d s MET 107 Cb 0.07 -1.89 0.00 0.00 0.00 0.00 0.00 34.83 33.01 1t8d s MET 107 CO 0.19 0.09 0.00 -2.13 0.00 0.00 0.00 175.02 173.17 1t8d n ARG 108 N 3.71 -1.82 -1.99 4.11 0.00 -0.84 -2.94 116.66 116.89 1t8d n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 1t8d n ARG 108 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t8d n GLY 109 N -0.42 -5.28 5.01 5.14 0.00 -1.26 -4.08 105.19 104.30 1t8d n GLY 109 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.34 113.62 119.88 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 -5.08 105.19 99.08 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 0.53 -4.03 1.61 0.00 -1.21 -4.69 116.66 108.87 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 1.66 2.92 -0.06 2.89 0.52 -1.24 -1.98 118.94 123.65 1t8d s TRP 113 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 56.10 55.86 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 0.38 0.11 -0.80 0.02 0.00 0.00 176.95 176.66 1t8d s ASN 114 N -3.88 0.97 -0.18 2.95 0.01 0.20 0.04 114.94 115.06 1t8d s ASN 114 Ca 0.36 0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 52.51 1t8d s ASN 114 Cb -0.06 0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.63 1t8d s ASN 114 CO 0.24 -0.25 0.55 -0.62 -1.51 0.00 0.00 177.10 175.52 1t8d s ASP 115 N 2.23 6.64 0.09 -1.22 2.15 -1.26 -1.03 116.67 124.27 1t8d s ASP 115 Ca 0.04 0.77 -0.21 0.00 0.43 0.00 0.00 52.55 53.59 1t8d s ASP 115 Cb -0.12 -2.31 0.05 0.00 -0.30 0.00 0.00 42.92 40.24 1t8d s ASP 115 CO -0.04 -0.17 0.50 0.00 -0.17 0.00 0.00 175.17 175.29 1t8d s ALA 116 N 1.48 -1.27 -1.11 3.66 0.00 -1.08 -4.32 121.76 119.14 1t8d s ALA 116 Ca 0.26 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 1t8d s ALA 116 Cb -0.16 0.56 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 1t8d s ALA 116 CO 0.10 -0.59 1.98 1.19 0.00 0.00 0.00 175.76 178.44 1t8d n PHE 117 N 0.08 2.88 -3.53 0.00 3.72 -1.26 -2.68 117.46 116.67 1t8d n PHE 117 Ca -0.17 -2.19 -0.18 0.00 -0.05 0.00 0.00 57.45 54.86 1t8d n PHE 117 Cb 0.62 -2.24 -0.06 0.00 -0.94 0.00 0.00 39.48 36.86 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t8d n ASP 119 N -1.50 0.00 -2.02 0.00 8.00 -1.26 -4.56 116.55 115.21 1t8d n ASP 119 Ca -0.19 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1t8d n ASP 119 Cb 0.40 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.06 -4.67 -0.70 -1.24 3.00 -1.26 -5.04 116.66 105.69 1t8d n ARG 120 Ca 0.12 3.41 -0.03 0.00 -0.00 0.00 0.00 57.85 61.35 1t8d n ARG 120 Cb 0.08 -3.93 -0.03 0.00 0.00 0.00 0.00 32.46 28.57 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 1.61 0.00 -4.69 -0.14 3.00 -1.26 -5.16 118.16 111.53 1t8d n LYS 121 Ca 0.00 -0.47 -0.31 0.00 -0.00 0.00 0.00 58.31 57.53 1t8d n LYS 121 Cb 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 35.03 35.38 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1t8d s LEU 122 N 0.00 2.30 0.00 3.14 1.02 -1.26 -4.53 118.68 119.35 1t8d s LEU 122 Ca 0.00 -1.62 0.01 0.00 0.02 0.00 0.00 54.13 52.54 1t8d s LEU 122 Cb 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 46.19 45.60 1t8d s LEU 122 CO 0.00 -0.81 0.70 0.61 0.02 0.00 0.00 176.35 176.87 1t8d n GLY 123 N -1.15 0.83 3.19 -3.19 0.00 -1.26 -4.74 105.19 98.87 1t8d n GLY 123 Ca -0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.80 -0.19 4.61 0.00 -1.23 -0.81 121.76 123.34 1t8d s ALA 124 Ca 0.01 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 1t8d s ALA 124 Cb 0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1t8d s ALA 124 CO -0.01 -0.19 0.04 1.67 0.00 0.00 0.00 175.76 177.27 1t8d s TRP 125 N 0.72 3.16 -0.06 0.00 1.48 0.17 -3.40 118.94 121.00 1t8d s TRP 125 Ca -0.04 -0.11 0.02 0.00 -1.06 0.00 0.00 56.10 54.91 1t8d s TRP 125 Cb -0.06 -2.08 0.02 0.00 -1.16 0.00 0.00 33.47 30.19 1t8d s TRP 125 CO -0.05 0.02 -0.10 0.54 -4.06 0.00 0.00 176.95 173.30 1t8d s VAL 126 N 0.59 0.98 0.11 -0.66 0.11 -1.26 -0.28 120.40 120.00 1t8d s VAL 126 Ca 0.02 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 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 0.02 0.32 0.04 0.00 -3.33 0.00 0.00 175.10 172.15 1t8d s ASP 128 N -3.01 2.28 0.16 0.00 -4.77 0.11 -0.74 116.67 110.71 1t8d s ASP 128 Ca 0.19 -0.48 -0.17 0.00 -3.30 0.00 0.00 52.55 48.80 1t8d s ASP 128 Cb 0.08 -0.19 0.03 0.00 -1.09 0.00 0.00 42.92 41.74 1t8d s ASP 128 CO -0.01 0.15 0.47 0.00 0.70 0.00 0.00 175.17 176.47 1t8d s ARG 129 N -1.05 1.24 0.15 2.11 1.70 0.31 0.11 118.95 123.52 1t8d s ARG 129 Ca 0.06 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 1t8d s ARG 129 Cb -0.08 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 1t8d s ARG 129 CO 0.01 -0.51 1.29 -0.51 -1.08 0.00 0.00 175.30 174.51 1t8d s LEU 130 N -2.84 4.40 -0.28 -1.89 2.01 -1.26 -0.21 118.68 118.60 1t8d s LEU 130 Ca 0.07 2.29 -0.29 0.00 0.01 0.00 0.00 54.13 56.21 1t8d s LEU 130 Cb 0.00 -3.60 0.01 0.00 0.01 0.00 0.00 46.19 42.62 1t8d s LEU 130 CO -0.07 -0.52 1.04 0.00 1.01 0.00 0.00 176.35 177.81 1t8d s ALA 131 N 0.47 3.58 -0.06 4.21 0.00 -1.18 -4.82 121.76 123.96 1t8d s ALA 131 Ca 0.58 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1t8d s ALA 131 Cb -0.35 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.19 1t8d s ALA 131 CO 0.35 -1.29 -0.08 0.95 0.00 0.00 0.00 175.76 175.68 1t8d s THR 132 N 3.43 0.84 -0.36 0.00 -4.23 -1.26 -4.89 115.64 109.16 1t8d s THR 132 Ca 0.44 -0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1t8d s THR 132 Cb -0.13 -0.81 0.57 0.00 1.34 0.00 0.00 72.50 73.47 1t8d s THR 132 CO 0.11 0.29 1.66 0.00 -0.54 0.00 0.00 174.62 176.14 1t8d s THR 134 N -3.31 3.43 0.61 0.00 -1.32 -1.26 -4.92 115.64 108.86 1t8d s THR 134 Ca 0.50 -3.24 -0.16 0.00 -1.21 0.00 0.00 61.69 57.57 1t8d s THR 134 Cb 0.44 -3.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 1t8d s THR 134 CO 0.04 -0.89 1.09 -2.16 -2.21 0.00 0.00 174.62 170.49 1t8d s PRO 135 N -0.36 3.15 -0.50 7.08 0.04 -1.26 -4.90 135.00 138.25 1t8d s PRO 135 Ca 0.19 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1t8d s PRO 135 Cb -0.20 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1t8d s PRO 135 CO -0.04 -0.97 2.39 -2.30 0.04 0.00 0.00 177.00 176.12 1t8d n PRO 136 N -2.02 1.04 0.00 0.56 -0.02 -1.26 -4.61 135.00 128.70 1t8d n PRO 136 Ca 0.10 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1t8d n PRO 136 Cb 0.52 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1t8d n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8d n ALA 137 N 13.32 1.16 -1.27 3.55 0.00 -1.26 -4.77 120.51 131.24 1t8d n ALA 137 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 1t8d n ALA 137 Cb 0.39 0.06 0.22 0.00 0.00 0.00 0.00 19.45 20.13 1t8d n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t8d s SER 138 N -1.40 1.50 -0.11 0.00 0.15 -1.26 -4.94 113.70 107.64 1t8d s SER 138 Ca 0.00 0.59 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 1t8d s SER 138 Cb 0.00 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1t8d s SER 138 CO 0.00 -3.76 1.50 -0.70 1.20 0.00 0.00 173.24 171.48 1t8d s GLU 139 N -5.48 4.17 0.00 5.44 2.12 -1.26 -4.51 118.70 119.18 1t8d s GLU 139 Ca 0.71 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.99 1t8d s GLU 139 Cb -0.09 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1t8d s GLU 139 CO 0.55 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1t8d n GLY 140 N 3.97 -2.40 0.93 -1.50 0.00 -1.26 -5.04 105.19 99.89 1t8d n GLY 140 Ca 0.16 0.77 -0.02 0.00 0.00 0.00 0.00 46.02 46.94 1t8d n GLY 140 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t8d n SER 141 N 0.00 1.02 -0.55 1.61 2.88 -1.26 -5.13 113.62 112.19 1t8d n SER 141 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1t8d n SER 141 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8d n ALA 142 N -3.52 0.00 1.04 -1.46 0.00 -1.26 -5.16 120.51 110.14 1t8d n ALA 142 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1t8d n ALA 142 Cb 0.16 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.74 1t8d n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59