#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8d s ILE 2 N 0.00 4.91 -0.18 2.02 1.09 -0.89 -4.91 121.20 123.24 1x8d s ILE 2 Ca 0.00 1.50 -0.22 0.00 -1.10 0.00 0.00 60.65 60.83 1x8d s ILE 2 Cb 0.00 -4.08 -0.02 0.00 -1.06 0.00 0.00 42.46 37.29 1x8d s ILE 2 CO 0.00 0.02 0.67 -0.13 -0.10 0.00 0.00 174.94 175.40 1x8d s ARG 3 N 2.26 4.25 -0.05 2.79 0.52 -1.26 -1.40 118.95 126.06 1x8d s ARG 3 Ca 0.35 0.71 0.05 0.00 -0.52 0.00 0.00 55.73 56.31 1x8d s ARG 3 Cb -0.16 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 1x8d s ARG 3 CO 0.11 -0.22 -0.20 0.15 0.02 0.00 0.00 175.30 175.15 1x8d s LYS 4 N 1.83 2.08 -0.01 3.54 1.02 -0.03 -5.01 119.74 123.17 1x8d s LYS 4 Ca 0.31 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1x8d s LYS 4 Cb -0.16 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1x8d s LYS 4 CO 0.11 0.29 -0.08 0.00 -0.92 0.00 0.00 175.35 174.74 1x8d s ALA 5 N -0.01 0.71 0.20 5.17 0.00 -1.26 0.17 121.76 126.73 1x8d s ALA 5 Ca -0.04 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 1x8d s ALA 5 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1x8d s ALA 5 CO 0.03 0.17 0.35 -0.59 0.00 0.00 0.00 175.76 175.72 1x8d s PHE 6 N -0.21 0.43 -0.02 0.00 -0.71 -0.24 -0.88 117.98 116.34 1x8d s PHE 6 Ca 0.03 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.18 1x8d s PHE 6 Cb -0.03 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 1x8d s PHE 6 CO -0.00 -0.82 -0.14 0.54 -1.34 0.00 0.00 175.22 173.46 1x8d s VAL 7 N -4.00 1.09 0.38 -2.49 0.11 -0.04 -0.35 120.40 115.11 1x8d s VAL 7 Ca 0.21 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 1x8d s VAL 7 Cb 0.02 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1x8d s VAL 7 CO 0.04 0.31 0.07 0.23 -3.33 0.00 0.00 175.10 172.43 1x8d n MET 8 N 2.89 0.78 -4.53 1.54 2.81 0.07 -1.37 117.12 119.31 1x8d n MET 8 Ca -0.15 -3.02 -0.25 0.00 -1.81 0.00 0.00 57.70 52.47 1x8d n MET 8 Cb 0.55 1.27 -0.11 0.00 -0.71 0.00 0.00 33.22 34.22 1x8d n MET 8 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1x8d s GLN 9 N -3.42 1.79 -0.02 0.03 -0.21 -1.26 -0.82 119.66 115.75 1x8d s GLN 9 Ca 0.10 -1.96 -0.04 0.00 0.02 0.00 0.00 55.36 53.48 1x8d s GLN 9 Cb 0.00 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1x8d s GLN 9 CO 0.07 0.00 0.09 0.54 -2.12 0.00 0.00 175.29 173.87 1x8d s VAL 10 N -2.83 0.04 0.36 1.09 0.11 -0.99 -4.36 120.40 113.81 1x8d s VAL 10 Ca 0.33 -0.33 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1x8d s VAL 10 Cb 0.06 -0.24 -0.11 0.00 -1.53 0.00 0.00 36.38 34.56 1x8d s VAL 10 CO 0.16 -0.18 1.49 0.59 -3.33 0.00 0.00 175.10 173.82 1x8d n ASN 11 N 2.37 3.71 0.03 3.54 5.03 0.16 -4.80 115.26 125.30 1x8d n ASN 11 Ca -0.17 1.21 0.13 0.00 0.87 0.00 0.00 54.58 56.63 1x8d n ASN 11 Cb 0.58 -1.60 0.60 0.00 -1.02 0.00 0.00 39.78 38.33 1x8d n ASN 11 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1x8d h PRO 12 N 3.19 0.17 -0.56 3.52 0.13 -1.95 -2.12 132.00 134.38 1x8d h PRO 12 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1x8d h PRO 12 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x8d h PRO 12 CO 0.66 0.11 0.00 -0.40 -0.23 0.00 0.00 178.00 178.14 1x8d n ASP 13 N -4.45 3.05 -0.44 1.44 5.75 -1.26 -4.27 116.55 116.37 1x8d n ASP 13 Ca 0.06 -2.08 0.07 0.00 -0.01 0.00 0.00 54.79 52.83 1x8d n ASP 13 Cb 0.37 -0.39 0.15 0.00 -1.03 0.00 0.00 41.12 40.22 1x8d n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x8d n ALA 14 N 1.00 2.82 0.14 2.12 0.00 -0.80 -4.81 120.51 120.99 1x8d n ALA 14 Ca 0.18 -2.75 -0.14 0.00 0.00 0.00 0.00 53.44 50.74 1x8d n ALA 14 Cb 0.51 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1x8d n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x8d h HIS 15 N 0.49 -0.35 -0.25 0.00 3.86 -1.74 0.20 115.15 117.36 1x8d h HIS 15 Ca -0.02 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1x8d h HIS 15 Cb 1.11 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 1x8d h HIS 15 CO 0.33 -0.21 0.08 1.49 0.86 0.00 0.00 177.93 180.49 1x8d h GLU 16 N -0.33 0.38 -0.74 2.45 4.81 -1.94 -2.51 114.58 116.70 1x8d h GLU 16 Ca -0.01 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1x8d h GLU 16 Cb 0.29 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1x8d h GLU 16 CO 0.01 0.44 0.27 1.49 -0.73 0.00 0.00 179.01 180.49 1x8d h GLU 17 N 0.24 1.12 -0.24 1.92 4.57 -1.87 -0.38 114.58 119.94 1x8d h GLU 17 Ca 0.08 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1x8d h GLU 17 Cb 0.22 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1x8d h GLU 17 CO -0.00 0.93 0.14 -0.92 -1.18 0.00 0.00 179.01 177.98 1x8d h TYR 18 N 1.09 0.32 -0.40 0.92 5.03 -0.55 -1.42 116.97 121.96 1x8d h TYR 18 Ca 0.25 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 1x8d h TYR 18 Cb 0.24 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 1x8d h TYR 18 CO 0.02 0.24 0.15 0.37 -1.32 0.00 0.00 178.16 177.62 1x8d h GLN 19 N 0.30 0.60 -0.97 1.82 4.15 -1.20 -2.91 115.11 116.90 1x8d h GLN 19 Ca 0.09 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1x8d h GLN 19 Cb 0.02 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.55 1x8d h GLN 19 CO -0.02 0.58 0.63 -0.09 -1.93 0.00 0.00 178.83 178.01 1x8d h ARG 20 N 0.50 1.12 0.00 1.69 9.65 -0.82 -1.29 114.38 125.23 1x8d h ARG 20 Ca 0.13 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1x8d h ARG 20 Cb 0.22 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1x8d h ARG 20 CO -0.01 0.74 0.00 0.00 2.80 0.00 0.00 179.97 183.51 1x8d h ARG 21 N 1.16 0.00 -0.55 0.20 3.08 -1.05 -2.25 114.38 114.96 1x8d h ARG 21 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1x8d h ARG 21 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1x8d h ARG 21 CO -0.15 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.47 1x8d n HIS 22 N -2.39 0.83 -3.47 3.04 8.25 -0.49 -3.91 115.22 117.09 1x8d n HIS 22 Ca -0.01 -0.53 -0.27 0.00 -0.26 0.00 0.00 57.72 56.66 1x8d n HIS 22 Cb 0.11 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 1x8d n HIS 22 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x8d n ASN 23 N 1.06 0.28 -4.92 0.41 3.02 -0.85 -3.49 115.26 110.76 1x8d n ASN 23 Ca 0.19 -2.57 -0.20 0.00 -0.03 0.00 0.00 54.58 51.98 1x8d n ASN 23 Cb 0.59 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1x8d n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x8d s PRO 24 N -0.36 2.76 0.84 3.52 0.04 -1.26 -4.96 135.00 135.57 1x8d s PRO 24 Ca 0.32 -1.31 -0.12 0.00 0.04 0.00 0.00 61.00 59.93 1x8d s PRO 24 Cb 0.04 -2.57 0.10 0.00 0.04 0.00 0.00 34.50 32.10 1x8d s PRO 24 CO -0.18 -0.09 1.15 0.96 0.04 0.00 0.00 177.00 178.87 1x8d s ILE 25 N -2.35 2.26 0.29 0.56 -4.36 -1.23 -4.88 121.20 111.49 1x8d s ILE 25 Ca 0.47 0.08 -0.30 0.00 -0.26 0.00 0.00 60.65 60.65 1x8d s ILE 25 Cb -0.07 -2.95 -0.12 0.00 1.25 0.00 0.00 42.46 40.57 1x8d s ILE 25 CO 0.29 -0.11 1.49 0.79 0.24 0.00 0.00 174.94 177.65 1x8d n TRP 26 N -3.49 2.60 0.15 1.37 8.01 -1.26 -4.86 117.44 119.96 1x8d n TRP 26 Ca 0.07 0.36 0.08 0.00 -1.31 0.00 0.00 57.50 56.70 1x8d n TRP 26 Cb 0.59 -2.53 0.57 0.00 -2.01 0.00 0.00 31.31 27.93 1x8d n TRP 26 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1x8d h PRO 27 N 4.18 0.19 0.00 -0.99 0.11 -2.00 -1.03 132.00 132.45 1x8d h PRO 27 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1x8d h PRO 27 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1x8d h PRO 27 CO 0.75 0.13 -0.34 1.05 -0.21 0.00 0.00 178.00 179.38 1x8d h GLU 28 N 0.20 0.00 0.04 1.05 4.11 -1.99 -2.02 114.58 115.97 1x8d h GLU 28 Ca 0.07 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.24 1x8d h GLU 28 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1x8d h GLU 28 CO -0.01 0.34 -1.08 1.25 0.07 0.00 0.00 179.01 179.58 1x8d h LEU 29 N 0.00 0.70 -0.31 3.06 5.85 -1.58 -2.22 115.31 120.80 1x8d h LEU 29 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1x8d h LEU 29 Cb 1.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1x8d h LEU 29 CO 0.04 1.41 0.15 -0.08 -0.34 0.00 0.00 178.44 179.62 1x8d h GLU 30 N 0.27 0.45 -0.53 1.25 4.81 -1.24 0.55 114.58 120.13 1x8d h GLU 30 Ca -0.13 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1x8d h GLU 30 Cb 1.73 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 1x8d h GLU 30 CO 0.20 0.43 0.26 0.00 -0.73 0.00 0.00 179.01 179.16 1x8d h ALA 31 N 1.00 0.69 -0.41 2.92 0.00 -1.37 -0.75 119.26 121.33 1x8d h ALA 31 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1x8d h ALA 31 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1x8d h ALA 31 CO -0.01 -0.10 0.04 0.28 0.00 0.00 0.00 179.25 179.46 1x8d h VAL 32 N 0.49 1.25 -0.49 0.00 2.07 -1.01 0.10 116.25 118.67 1x8d h VAL 32 Ca 0.24 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1x8d h VAL 32 Cb 0.18 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1x8d h VAL 32 CO -0.19 0.32 0.27 -0.07 0.02 0.00 0.00 177.57 177.92 1x8d h LEU 33 N 0.54 0.41 -0.46 2.57 3.38 -0.44 -0.79 115.31 120.52 1x8d h LEU 33 Ca 0.12 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1x8d h LEU 33 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x8d h LEU 33 CO 0.01 0.29 -0.19 0.11 0.09 0.00 0.00 178.44 178.75 1x8d h LYS 34 N 0.53 0.93 -0.61 1.13 1.79 -1.02 -2.49 116.57 116.83 1x8d h LYS 34 Ca 0.21 -0.39 0.01 0.00 -2.18 0.00 0.00 60.65 58.29 1x8d h LYS 34 Cb 0.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1x8d h LYS 34 CO -0.12 1.05 0.40 0.77 -1.08 0.00 0.00 179.45 180.47 1x8d h SER 35 N 0.77 0.70 -0.17 0.86 0.02 -0.37 -1.75 113.55 113.61 1x8d h SER 35 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1x8d h SER 35 Cb 0.75 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1x8d h SER 35 CO 0.06 0.51 0.00 1.41 -1.14 0.00 0.00 176.83 177.66 1x8d n HIS 36 N -4.44 0.55 -1.35 3.45 8.25 -0.34 -4.91 115.22 116.43 1x8d n HIS 36 Ca 0.06 -0.20 -0.01 0.00 -0.26 0.00 0.00 57.72 57.31 1x8d n HIS 36 Cb 0.04 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 1x8d n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x8d n GLY 37 N 0.27 0.43 3.81 -1.41 0.00 -0.66 -3.97 105.19 103.67 1x8d n GLY 37 Ca 0.08 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1x8d n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8d s ALA 38 N -2.06 3.46 -0.01 4.61 0.00 -0.96 -1.89 121.76 124.92 1x8d s ALA 38 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1x8d s ALA 38 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1x8d s ALA 38 CO 0.00 0.34 0.02 -1.01 0.00 0.00 0.00 175.76 175.11 1x8d s HIS 39 N -1.37 -0.01 -1.32 0.00 0.09 0.17 -4.66 115.29 108.20 1x8d s HIS 39 Ca 0.39 0.02 -0.05 0.00 -0.00 0.00 0.00 55.06 55.42 1x8d s HIS 39 Cb -0.18 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.58 32.39 1x8d s HIS 39 CO 0.22 -0.03 0.58 0.09 -0.00 0.00 0.00 174.74 175.60 1x8d n ASN 40 N 2.93 -1.69 -4.63 1.40 5.03 -1.26 -0.98 115.26 116.06 1x8d n ASN 40 Ca -0.13 -0.96 -0.43 0.00 0.87 0.00 0.00 54.58 53.93 1x8d n ASN 40 Cb 0.59 -3.42 -0.02 0.00 -1.02 0.00 0.00 39.78 35.91 1x8d n ASN 40 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1x8d s TYR 41 N -3.77 2.94 0.01 3.10 6.14 -1.26 -4.30 117.35 120.21 1x8d s TYR 41 Ca 0.11 1.02 0.05 0.00 0.64 0.00 0.00 57.07 58.89 1x8d s TYR 41 Cb -0.04 -3.84 -0.02 0.00 0.42 0.00 0.00 41.96 38.49 1x8d s TYR 41 CO 0.86 -1.19 -0.15 0.00 0.64 0.00 0.00 175.55 175.71 1x8d s ALA 42 N 4.00 1.24 -0.06 3.97 0.00 0.18 -5.00 121.76 126.09 1x8d s ALA 42 Ca 0.50 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1x8d s ALA 42 Cb -0.14 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1x8d s ALA 42 CO 0.20 0.28 -0.10 0.42 0.00 0.00 0.00 175.76 176.56 1x8d s ILE 43 N -0.52 0.98 -0.06 0.00 1.01 -1.26 -0.73 121.20 120.63 1x8d s ILE 43 Ca 0.05 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1x8d s ILE 43 Cb -0.06 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1x8d s ILE 43 CO 0.00 0.32 -0.22 -0.31 0.00 0.00 0.00 174.94 174.73 1x8d s TYR 44 N 0.74 2.51 -0.13 3.97 1.51 0.11 -4.96 117.35 121.10 1x8d s TYR 44 Ca -0.13 -0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 55.17 1x8d s TYR 44 Cb -0.15 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1x8d s TYR 44 CO 0.03 -0.14 0.37 -1.17 -1.11 0.00 0.00 175.55 173.53 1x8d s LEU 45 N -0.24 4.28 -0.66 -1.29 2.96 -1.26 -0.30 118.68 122.17 1x8d s LEU 45 Ca -0.01 0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 1x8d s LEU 45 Cb -0.13 -2.51 0.17 0.00 0.50 0.00 0.00 46.19 44.22 1x8d s LEU 45 CO 0.03 0.09 0.57 -0.62 -1.32 0.00 0.00 176.35 175.10 1x8d s ASP 46 N 0.33 6.19 0.24 3.68 -1.08 0.15 -4.96 116.67 121.23 1x8d s ASP 46 Ca 0.21 -2.34 -0.06 0.00 -0.52 0.00 0.00 52.55 49.84 1x8d s ASP 46 Cb -0.14 -2.12 0.31 0.00 -1.46 0.00 0.00 42.92 39.51 1x8d s ASP 46 CO 0.07 -0.64 1.87 0.11 0.52 0.00 0.00 175.17 177.11 1x8d h LYS 47 N 8.08 1.05 -0.20 4.34 1.57 -1.96 -0.20 116.57 129.24 1x8d h LYS 47 Ca -0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1x8d h LYS 47 Cb 1.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1x8d h LYS 47 CO 0.84 0.69 -0.11 0.00 -0.57 0.00 0.00 179.45 180.30 1x8d h ALA 48 N 1.39 1.45 -0.02 3.86 0.00 -1.96 -3.19 119.26 120.78 1x8d h ALA 48 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x8d h ALA 48 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x8d h ALA 48 CO -0.14 0.39 -0.07 0.54 0.00 0.00 0.00 179.25 179.96 1x8d n ARG 49 N -4.26 1.26 -3.63 0.00 1.74 -1.07 -4.99 116.66 105.70 1x8d n ARG 49 Ca -0.00 -1.23 -0.23 0.00 -0.77 0.00 0.00 57.85 55.62 1x8d n ARG 49 Cb 0.27 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 30.51 1x8d n ARG 49 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x8d n ASN 50 N 0.59 -4.37 -4.42 0.55 3.02 -0.13 -4.96 115.26 105.54 1x8d n ASN 50 Ca 0.08 -0.64 -0.29 0.00 -0.03 0.00 0.00 54.58 53.70 1x8d n ASN 50 Cb 0.36 -4.71 -0.12 0.00 -0.61 0.00 0.00 39.78 34.69 1x8d n ASN 50 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x8d s LEU 51 N -7.00 2.42 -0.22 3.41 1.43 -0.96 -2.35 118.68 115.41 1x8d s LEU 51 Ca 0.39 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1x8d s LEU 51 Cb -0.18 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1x8d s LEU 51 CO 0.76 0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 176.65 1x8d s LEU 52 N -2.23 2.50 -0.27 1.79 1.43 -0.00 0.32 118.68 122.21 1x8d s LEU 52 Ca 0.16 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 1x8d s LEU 52 Cb -0.10 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1x8d s LEU 52 CO 0.08 -0.17 0.24 -0.36 0.23 0.00 0.00 176.35 176.36 1x8d s PHE 53 N 1.36 3.24 0.08 0.29 0.40 0.59 -0.75 117.98 123.19 1x8d s PHE 53 Ca -0.03 0.22 0.08 0.00 -0.60 0.00 0.00 56.93 56.60 1x8d s PHE 53 Cb -0.17 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1x8d s PHE 53 CO -0.07 -0.14 -0.19 0.00 0.70 0.00 0.00 175.22 175.52 1x8d s ALA 54 N 1.73 2.61 -0.02 5.36 0.00 0.53 0.06 121.76 132.03 1x8d s ALA 54 Ca 0.09 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1x8d s ALA 54 Cb -0.16 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1x8d s ALA 54 CO 0.10 0.58 0.04 1.41 0.00 0.00 0.00 175.76 177.89 1x8d s MET 55 N -1.81 -0.00 -0.11 0.00 1.75 0.09 -1.08 119.30 118.14 1x8d s MET 55 Ca 0.16 0.16 -0.10 0.00 -1.25 0.00 0.00 55.69 54.66 1x8d s MET 55 Cb -0.10 -0.15 0.03 0.00 2.84 0.00 0.00 34.83 37.44 1x8d s MET 55 CO 0.08 -0.11 0.29 0.54 -0.65 0.00 0.00 175.02 175.16 1x8d s VAL 56 N 0.73 -0.00 -0.15 10.11 0.11 0.13 -0.64 120.40 130.68 1x8d s VAL 56 Ca -0.06 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 1x8d s VAL 56 Cb -0.09 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1x8d s VAL 56 CO -0.02 0.01 0.27 -1.61 -3.33 0.00 0.00 175.10 170.41 1x8d s GLU 57 N 0.28 4.18 0.11 1.54 2.02 -0.15 -0.85 118.70 125.83 1x8d s GLU 57 Ca -0.01 0.06 0.06 0.00 0.02 0.00 0.00 54.97 55.10 1x8d s GLU 57 Cb -0.03 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1x8d s GLU 57 CO -0.01 0.30 -0.15 0.96 0.02 0.00 0.00 175.26 176.38 1x8d s ILE 58 N 0.29 1.36 0.05 -1.63 -0.00 -0.50 0.43 121.20 121.21 1x8d s ILE 58 Ca 0.16 -1.61 0.00 0.00 -0.00 0.00 0.00 60.65 59.19 1x8d s ILE 58 Cb -0.13 -1.45 -0.26 0.00 -0.00 0.00 0.00 42.46 40.62 1x8d s ILE 58 CO 0.04 -0.32 1.05 -0.33 -0.00 0.00 0.00 174.94 175.37 1x8d h GLU 59 N 3.75 0.18 -3.54 0.37 5.08 -1.67 -2.35 114.58 116.39 1x8d h GLU 59 Ca -0.41 -0.30 -0.27 0.00 -1.00 0.00 0.00 59.36 57.38 1x8d h GLU 59 Cb 1.19 0.11 -0.32 0.00 0.50 0.00 0.00 28.75 30.24 1x8d h GLU 59 CO 0.47 1.08 -0.70 0.45 -1.00 0.00 0.00 179.01 179.30 1x8d s SER 60 N -6.91 0.02 0.10 1.42 0.15 -1.26 -4.84 113.70 102.38 1x8d s SER 60 Ca -0.04 0.07 -0.20 0.00 0.70 0.00 0.00 55.95 56.48 1x8d s SER 60 Cb 0.08 -0.00 -0.08 0.00 -1.71 0.00 0.00 66.02 64.30 1x8d s SER 60 CO 0.85 -0.09 1.66 -0.33 1.20 0.00 0.00 173.24 176.53 1x8d h GLU 61 N 6.91 0.29 -0.53 5.44 4.39 -1.97 -1.62 114.58 127.49 1x8d h GLU 61 Ca -0.39 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 1x8d h GLU 61 Cb 1.15 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1x8d h GLU 61 CO 0.48 0.32 0.24 1.49 -1.16 0.00 0.00 179.01 180.38 1x8d h GLU 62 N 0.18 0.78 -0.48 2.33 4.81 -1.98 -0.89 114.58 119.33 1x8d h GLU 62 Ca 0.07 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1x8d h GLU 62 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1x8d h GLU 62 CO -0.01 0.66 0.14 0.00 -0.73 0.00 0.00 179.01 179.07 1x8d h ARG 63 N 0.71 0.76 -0.75 1.92 3.08 -1.85 -0.28 114.38 117.97 1x8d h ARG 63 Ca 0.18 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x8d h ARG 63 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1x8d h ARG 63 CO -0.02 0.73 0.48 2.35 -1.07 0.00 0.00 179.97 182.44 1x8d h TRP 64 N 0.65 0.95 0.00 3.04 2.91 -1.14 -1.65 115.95 120.71 1x8d h TRP 64 Ca 0.15 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 1x8d h TRP 64 Cb 0.29 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 1x8d h TRP 64 CO 0.02 0.61 -0.21 -0.91 -1.03 0.00 0.00 178.44 176.92 1x8d h ASN 65 N 1.02 0.00 0.91 2.65 4.21 -0.72 -2.62 115.58 121.03 1x8d h ASN 65 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1x8d h ASN 65 Cb -0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1x8d h ASN 65 CO -0.06 0.21 0.00 0.00 -1.29 0.00 0.00 177.43 176.30 1x8d h ALA 66 N 1.79 1.00 -0.55 -0.83 0.00 -0.06 -3.16 119.26 117.45 1x8d h ALA 66 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1x8d h ALA 66 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x8d h ALA 66 CO 0.03 0.00 0.36 0.28 0.00 0.00 0.00 179.25 179.92 1x8d h VAL 67 N 0.00 0.99 0.00 0.00 2.07 -1.40 -0.67 116.25 117.23 1x8d h VAL 67 Ca 0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1x8d h VAL 67 Cb 0.45 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1x8d h VAL 67 CO 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 1x8d h ALA 68 N 1.70 1.02 0.00 1.67 0.00 -1.77 -2.29 119.26 119.59 1x8d h ALA 68 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x8d h ALA 68 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x8d h ALA 68 CO -0.07 0.01 -0.29 0.77 0.00 0.00 0.00 179.25 179.68 1x8d h SER 69 N 0.00 0.00 -4.05 0.00 0.02 -1.33 -3.42 113.55 104.77 1x8d h SER 69 Ca -0.00 -0.07 -0.46 0.00 -0.84 0.00 0.00 61.79 60.42 1x8d h SER 69 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1x8d h SER 69 CO 0.00 0.04 0.37 0.42 -1.14 0.00 0.00 176.83 176.52 1x8d s THR 70 N -3.16 4.00 0.12 -2.27 -4.23 -0.86 -4.97 115.64 104.27 1x8d s THR 70 Ca 0.08 1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 61.71 1x8d s THR 70 Cb 0.11 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1x8d s THR 70 CO 0.66 -0.22 1.68 -0.78 -0.54 0.00 0.00 174.62 175.43 1x8d h ASP 71 N 1.87 0.39 -0.76 3.99 3.58 -1.90 -1.98 116.42 121.60 1x8d h ASP 71 Ca -0.49 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 56.83 1x8d h ASP 71 Cb 1.20 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 1x8d h ASP 71 CO 0.60 0.41 0.50 1.62 -2.88 0.00 0.00 179.24 179.50 1x8d h VAL 72 N 0.33 1.20 -0.51 2.25 3.04 -1.93 0.14 116.25 120.78 1x8d h VAL 72 Ca 0.10 -0.36 -0.07 0.00 -1.01 0.00 0.00 66.70 65.36 1x8d h VAL 72 Cb 0.13 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 29.46 1x8d h VAL 72 CO -0.01 0.19 0.02 0.00 -1.01 0.00 0.00 177.57 176.76 1x8d h GLN 74 N 0.78 0.26 0.00 0.00 4.20 -0.54 0.81 115.11 120.62 1x8d h GLN 74 Ca 0.15 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1x8d h GLN 74 Cb 0.43 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1x8d h GLN 74 CO 0.02 0.39 -0.40 0.00 -0.67 0.00 0.00 178.83 178.17 1x8d h ARG 75 N 0.09 0.00 -0.02 1.46 3.08 -0.57 -1.13 114.38 117.29 1x8d h ARG 75 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x8d h ARG 75 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1x8d h ARG 75 CO -0.00 0.40 0.00 2.35 -1.07 0.00 0.00 179.97 181.65 1x8d h TRP 76 N 0.00 0.04 -0.37 3.04 2.91 -0.52 -1.04 115.95 120.02 1x8d h TRP 76 Ca -0.00 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 1x8d h TRP 76 Cb 0.82 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 1x8d h TRP 76 CO 0.00 0.32 0.03 -1.49 -1.03 0.00 0.00 178.44 176.27 1x8d h TRP 77 N -0.25 0.58 -0.38 2.65 6.55 -0.63 0.57 115.95 125.04 1x8d h TRP 77 Ca 0.01 -0.05 -0.04 0.00 0.95 0.00 0.00 58.89 59.75 1x8d h TRP 77 Cb 0.30 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.42 1x8d h TRP 77 CO 0.03 0.54 0.08 -0.22 -1.05 0.00 0.00 178.44 177.82 1x8d h LYS 78 N 0.54 0.62 -0.69 0.49 3.64 -1.10 -2.55 116.57 117.52 1x8d h LYS 78 Ca 0.12 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1x8d h LYS 78 Cb 0.30 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1x8d h LYS 78 CO 0.01 0.66 0.44 -0.92 -2.27 0.00 0.00 179.45 177.36 1x8d h TYR 79 N 0.47 0.82 0.00 1.91 3.20 -0.42 -2.68 116.97 120.28 1x8d h TYR 79 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1x8d h TYR 79 Cb 0.32 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1x8d h TYR 79 CO 0.02 0.48 0.00 -1.33 -1.64 0.00 0.00 178.16 175.69 1x8d n MET 80 N -4.66 0.11 0.33 1.82 2.81 0.12 -3.39 117.12 114.26 1x8d n MET 80 Ca 0.07 0.27 0.22 0.00 -1.81 0.00 0.00 57.70 56.45 1x8d n MET 80 Cb 0.07 -1.68 1.15 0.00 -0.71 0.00 0.00 33.22 32.05 1x8d n MET 80 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1x8d h THR 81 N 0.00 0.00 -0.00 2.03 1.35 -1.09 -1.42 112.91 113.78 1x8d h THR 81 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1x8d h THR 81 Cb 0.41 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1x8d h THR 81 CO 0.00 0.00 -0.02 -0.90 -0.25 0.00 0.00 175.52 174.35 1x8d n ASP 82 N -3.07 0.03 -0.05 5.36 5.68 -1.22 -3.71 116.55 119.57 1x8d n ASP 82 Ca -0.02 0.30 0.01 0.00 -0.50 0.00 0.00 54.79 54.57 1x8d n ASP 82 Cb 0.10 -0.41 -0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1x8d n ASP 82 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1x8d n VAL 83 N -1.44 0.00 -3.59 2.12 0.24 -0.56 -5.01 118.33 110.09 1x8d n VAL 83 Ca 0.09 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1x8d n VAL 83 Cb 0.32 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.65 1x8d n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x8d s MET 84 N -0.73 0.98 0.31 7.34 0.23 -1.07 -0.66 119.30 125.70 1x8d s MET 84 Ca 0.02 -0.09 -0.29 0.00 -1.03 0.00 0.00 55.69 54.29 1x8d s MET 84 Cb 0.02 0.45 -0.12 0.00 -1.53 0.00 0.00 34.83 33.65 1x8d s MET 84 CO 0.06 -0.33 1.41 -2.30 -2.03 0.00 0.00 175.02 171.84 1x8d n PRO 85 N 0.69 2.28 -4.08 3.16 -0.02 -1.26 -4.54 135.00 131.23 1x8d n PRO 85 Ca -0.19 0.81 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1x8d n PRO 85 Cb 0.59 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 1x8d n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x8d s ALA 86 N -0.56 0.61 0.81 3.55 0.00 -1.26 -1.87 121.76 123.03 1x8d s ALA 86 Ca 0.61 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 1x8d s ALA 86 Cb -0.57 0.13 0.07 0.00 0.00 0.00 0.00 23.12 22.75 1x8d s ALA 86 CO 0.56 -0.15 1.12 -0.80 0.00 0.00 0.00 175.76 176.48 1x8d s ASN 87 N -2.16 4.47 0.42 0.00 0.02 0.12 -4.76 114.94 113.05 1x8d s ASN 87 Ca -0.02 1.14 0.15 0.00 -1.02 0.00 0.00 52.86 53.10 1x8d s ASN 87 Cb -0.03 -1.82 1.02 0.00 0.02 0.00 0.00 41.25 40.44 1x8d s ASN 87 CO -0.03 -1.96 1.92 -0.65 0.02 0.00 0.00 177.10 176.40 1x8d h PRO 88 N -1.09 0.44 0.00 -0.60 0.11 -2.01 0.13 132.00 128.98 1x8d h PRO 88 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x8d h PRO 88 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1x8d h PRO 88 CO 0.61 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1x8d n ASP 89 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.64 1x8d n ASP 89 Ca 0.14 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1x8d n ASP 89 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1x8d n ASP 89 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1x8d n ASN 90 N -0.66 0.00 -4.77 -1.12 3.02 0.47 -4.99 115.26 107.21 1x8d n ASN 90 Ca 0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 1x8d n ASN 90 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1x8d n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x8d s SER 91 N -3.58 5.90 0.51 6.41 1.04 -1.26 -4.55 113.70 118.17 1x8d s SER 91 Ca 0.00 2.42 -0.22 0.00 0.48 0.00 0.00 55.95 58.63 1x8d s SER 91 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 1x8d s SER 91 CO 0.00 -1.11 1.23 -2.16 0.98 0.00 0.00 173.24 172.18 1x8d s PRO 92 N -2.79 3.42 0.19 4.02 0.04 -1.26 0.15 135.00 138.76 1x8d s PRO 92 Ca 0.66 1.93 -0.32 0.00 0.04 0.00 0.00 61.00 63.32 1x8d s PRO 92 Cb -0.31 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 1x8d s PRO 92 CO 0.37 -0.87 1.66 0.08 0.04 0.00 0.00 177.00 178.29 1x8d s VAL 93 N -1.48 2.29 0.07 -0.36 1.01 -0.78 -4.63 120.40 116.51 1x8d s VAL 93 Ca 0.69 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 1x8d s VAL 93 Cb -0.33 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1x8d s VAL 93 CO 0.39 0.01 0.38 -0.55 0.00 0.00 0.00 175.10 175.33 1x8d s SER 94 N 1.21 -0.23 -0.03 3.32 0.15 -1.26 -4.00 113.70 112.88 1x8d s SER 94 Ca 0.73 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 1x8d s SER 94 Cb -0.47 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1x8d s SER 94 CO 0.32 -0.71 0.06 -0.44 1.20 0.00 0.00 173.24 173.66 1x8d s SER 95 N -2.27 -0.00 0.03 5.45 0.01 -0.47 -4.96 113.70 111.49 1x8d s SER 95 Ca -0.03 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 1x8d s SER 95 Cb 0.00 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 1x8d s SER 95 CO -0.05 -0.09 1.18 -0.70 0.41 0.00 0.00 173.24 173.98 1x8d s GLU 96 N 0.71 4.43 0.27 12.44 2.12 -1.26 -0.86 118.70 136.55 1x8d s GLU 96 Ca -0.06 1.71 -0.05 0.00 0.36 0.00 0.00 54.97 56.94 1x8d s GLU 96 Cb -0.08 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1x8d s GLU 96 CO -0.02 -0.27 0.53 -0.51 -0.54 0.00 0.00 175.26 174.44 1x8d s LEU 97 N 1.29 4.08 -0.24 2.70 1.43 -0.06 -4.95 118.68 122.94 1x8d s LEU 97 Ca 0.57 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1x8d s LEU 97 Cb -0.28 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1x8d s LEU 97 CO 0.28 -0.17 0.10 -1.58 0.23 0.00 0.00 176.35 175.20 1x8d s GLN 98 N -3.47 3.83 0.05 1.70 0.74 -1.26 -4.63 119.66 116.62 1x8d s GLN 98 Ca 0.43 -0.40 -0.31 0.00 0.05 0.00 0.00 55.36 55.14 1x8d s GLN 98 Cb -0.11 -3.37 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 1x8d s GLN 98 CO 0.29 -0.04 1.43 -2.00 -0.55 0.00 0.00 175.29 174.42 1x8d s GLU 99 N 1.26 4.29 0.00 1.67 2.12 -1.26 -4.88 118.70 121.89 1x8d s GLU 99 Ca 0.05 2.05 0.04 0.00 0.36 0.00 0.00 54.97 57.47 1x8d s GLU 99 Cb -0.14 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1x8d s GLU 99 CO 0.04 -0.54 0.18 1.33 -0.54 0.00 0.00 175.26 175.73 1x8d n VAL 100 N 4.39 0.00 -3.61 3.70 0.24 -1.26 -5.04 118.33 116.75 1x8d n VAL 100 Ca 0.13 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 1x8d n VAL 100 Cb 0.43 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 1x8d n VAL 100 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1x8d s PHE 101 N -1.29 -0.75 -0.26 6.34 5.36 -1.26 -5.16 117.98 120.96 1x8d s PHE 101 Ca 0.02 1.73 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 1x8d s PHE 101 Cb 0.03 0.30 0.12 0.00 -0.34 0.00 0.00 43.02 43.13 1x8d s PHE 101 CO 0.14 -0.42 0.55 -0.47 -1.46 0.00 0.00 175.22 173.56 1x8d s TYR 102 N 0.04 -1.17 -0.29 10.12 6.14 -1.26 -5.13 117.35 125.81 1x8d s TYR 102 Ca -0.02 1.92 0.02 0.00 0.64 0.00 0.00 57.07 59.63 1x8d s TYR 102 Cb -0.04 0.57 0.08 0.00 0.42 0.00 0.00 41.96 42.99 1x8d s TYR 102 CO 0.03 -0.63 -0.00 -1.17 0.64 0.00 0.00 175.55 174.41 1x8d s LEU 103 N 2.78 3.55 0.00 6.97 2.96 -1.26 -5.31 118.68 128.37 1x8d s LEU 103 Ca -0.01 -1.67 0.00 0.00 -0.22 0.00 0.00 54.13 52.23 1x8d s LEU 103 Cb -0.13 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1x8d s LEU 103 CO -0.17 -0.31 0.30 -2.65 -1.32 0.00 0.00 176.35 172.20