#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 3.02 -0.28 2.02 1.01 -1.11 -4.85 121.20 121.00 1x8d s ILE 2 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 1x8d s ILE 2 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1x8d s ILE 2 CO 0.00 0.05 0.29 -0.13 0.00 0.00 0.00 174.94 175.15 1x8d s ARG 3 N 1.31 3.92 -0.01 2.79 0.52 -1.26 -1.18 118.95 125.04 1x8d s ARG 3 Ca 0.68 -0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.74 1x8d s ARG 3 Cb -0.40 -3.68 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 1x8d s ARG 3 CO 0.31 -0.27 -0.10 0.15 0.02 0.00 0.00 175.30 175.41 1x8d s LYS 4 N 1.93 2.49 0.00 3.54 1.02 0.99 -4.97 119.74 124.74 1x8d s LYS 4 Ca 0.11 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1x8d s LYS 4 Cb -0.16 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1x8d s LYS 4 CO 0.11 0.61 -0.00 0.00 -0.92 0.00 0.00 175.35 175.14 1x8d s ALA 5 N -0.91 0.01 0.18 5.17 0.00 -1.26 -0.77 121.76 124.18 1x8d s ALA 5 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1x8d s ALA 5 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1x8d s ALA 5 CO 0.05 -0.03 0.38 -0.59 0.00 0.00 0.00 175.76 175.58 1x8d s PHE 6 N -0.22 0.21 -0.02 0.00 -0.71 -0.91 -0.55 117.98 115.78 1x8d s PHE 6 Ca -0.02 -0.57 0.06 0.00 -1.04 0.00 0.00 56.93 55.36 1x8d s PHE 6 Cb -0.02 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1x8d s PHE 6 CO -0.00 -0.81 -0.20 0.54 -1.34 0.00 0.00 175.22 173.41 1x8d s VAL 7 N -3.94 1.54 0.33 -2.49 0.11 0.34 -1.42 120.40 114.87 1x8d s VAL 7 Ca 0.15 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 1x8d s VAL 7 Cb 0.01 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1x8d s VAL 7 CO -0.00 0.44 0.11 0.23 -3.33 0.00 0.00 175.10 172.54 1x8d n MET 8 N 2.62 0.68 -4.39 1.54 2.81 -0.06 -1.49 117.12 118.82 1x8d n MET 8 Ca -0.15 -2.75 -0.22 0.00 -1.81 0.00 0.00 57.70 52.77 1x8d n MET 8 Cb 0.53 1.45 -0.10 0.00 -0.71 0.00 0.00 33.22 34.39 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 -3.25 1.46 0.07 0.03 -0.21 -1.25 -0.87 119.66 115.63 1x8d s GLN 9 Ca 0.15 -1.60 0.04 0.00 0.02 0.00 0.00 55.36 53.97 1x8d s GLN 9 Cb 0.01 -1.47 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 1x8d s GLN 9 CO 0.11 0.28 -0.12 0.54 -2.12 0.00 0.00 175.29 173.98 1x8d s VAL 10 N -2.46 0.93 0.34 1.09 0.11 -0.94 -4.17 120.40 115.30 1x8d s VAL 10 Ca 0.23 -1.30 -0.28 0.00 -2.93 0.00 0.00 61.98 57.70 1x8d s VAL 10 Cb -0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1x8d s VAL 10 CO 0.10 -0.32 1.24 0.20 -3.33 0.00 0.00 175.10 172.99 1x8d s ASN 11 N -1.82 6.81 0.52 3.54 0.02 -0.48 -4.80 114.94 118.73 1x8d s ASN 11 Ca -0.03 2.55 0.23 0.00 -1.02 0.00 0.00 52.86 54.59 1x8d s ASN 11 Cb -0.09 -2.64 1.34 0.00 0.02 0.00 0.00 41.25 39.88 1x8d s ASN 11 CO 0.01 -0.49 2.01 1.55 0.02 0.00 0.00 177.10 180.20 1x8d h PRO 12 N 3.32 0.05 -0.65 -0.60 0.13 -1.95 -1.37 132.00 130.93 1x8d h PRO 12 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x8d h PRO 12 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x8d h PRO 12 CO 0.65 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1x8d n ASP 13 N -4.41 4.10 -0.11 1.44 5.75 -1.26 -4.33 116.55 117.74 1x8d n ASP 13 Ca 0.09 -2.28 0.07 0.00 -0.01 0.00 0.00 54.79 52.65 1x8d n ASP 13 Cb 0.53 -0.52 0.09 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.14 2.13 -0.16 2.12 0.00 -0.52 -4.81 120.51 120.42 1x8d n ALA 14 Ca 0.23 -2.04 -0.03 0.00 0.00 0.00 0.00 53.44 51.60 1x8d n ALA 14 Cb 0.74 -0.31 0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.29 -0.15 0.00 3.86 -1.75 -0.56 115.15 116.84 1x8d h HIS 15 Ca 0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1x8d h HIS 15 Cb 0.96 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 1x8d h HIS 15 CO 0.01 0.09 -0.10 1.49 0.86 0.00 0.00 177.93 180.29 1x8d h GLU 16 N 0.34 0.33 -0.39 2.45 4.81 -1.95 -2.81 114.58 117.37 1x8d h GLU 16 Ca 0.24 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1x8d h GLU 16 Cb 0.26 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1x8d h GLU 16 CO -0.25 0.67 -0.02 1.49 -0.73 0.00 0.00 179.01 180.17 1x8d h GLU 17 N -0.01 0.62 -0.05 1.92 4.57 -1.88 -0.95 114.58 118.80 1x8d h GLU 17 Ca 0.03 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1x8d h GLU 17 Cb 0.59 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1x8d h GLU 17 CO 0.03 0.66 0.02 -0.92 -1.18 0.00 0.00 179.01 177.61 1x8d h TYR 18 N 0.59 0.08 -0.63 0.92 5.03 -1.10 -1.32 116.97 120.53 1x8d h TYR 18 Ca 0.12 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.45 1x8d h TYR 18 Cb 0.40 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 1x8d h TYR 18 CO 0.02 0.22 0.39 0.37 -1.32 0.00 0.00 178.16 177.84 1x8d h GLN 19 N -0.09 0.74 -0.56 1.82 4.15 -1.21 -2.39 115.11 117.57 1x8d h GLN 19 Ca 0.02 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1x8d h GLN 19 Cb 0.18 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1x8d h GLN 19 CO -0.00 0.49 0.27 -0.09 -1.93 0.00 0.00 178.83 177.57 1x8d h ARG 20 N 0.76 0.49 0.00 1.69 2.43 -0.91 -1.74 114.38 117.11 1x8d h ARG 20 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1x8d h ARG 20 Cb 0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1x8d h ARG 20 CO -0.11 0.33 0.00 0.00 -1.51 0.00 0.00 179.97 178.68 1x8d h ARG 21 N 0.51 0.00 -0.48 0.20 3.08 -0.71 -1.69 114.38 115.28 1x8d h ARG 21 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1x8d h ARG 21 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1x8d h ARG 21 CO -0.20 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.42 1x8d n HIS 22 N -2.36 0.64 -3.37 3.04 8.25 -0.66 -3.75 115.22 117.01 1x8d n HIS 22 Ca -0.01 -0.46 -0.26 0.00 -0.26 0.00 0.00 57.72 56.73 1x8d n HIS 22 Cb 0.06 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 1.02 1.37 -4.99 0.41 3.02 -0.64 -3.54 115.26 111.91 1x8d n ASN 23 Ca 0.17 -2.90 -0.18 0.00 -0.03 0.00 0.00 54.58 51.63 1x8d n ASN 23 Cb 0.51 -0.65 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.35 2.66 0.85 3.52 0.04 -1.26 -4.99 135.00 134.47 1x8d s PRO 24 Ca 0.35 -1.20 -0.13 0.00 0.04 0.00 0.00 61.00 60.07 1x8d s PRO 24 Cb 0.12 -2.68 0.11 0.00 0.04 0.00 0.00 34.50 32.09 1x8d s PRO 24 CO -0.11 -0.48 1.21 0.96 0.04 0.00 0.00 177.00 178.63 1x8d s ILE 25 N -2.50 2.02 0.33 0.56 -4.36 -1.23 -4.81 121.20 111.21 1x8d s ILE 25 Ca 0.57 -0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.64 1x8d s ILE 25 Cb -0.09 -2.99 -0.12 0.00 1.25 0.00 0.00 42.46 40.51 1x8d s ILE 25 CO 0.35 0.00 1.48 0.79 0.24 0.00 0.00 174.94 177.81 1x8d n TRP 26 N -3.41 2.76 0.06 1.37 8.01 -1.26 -4.86 117.44 120.11 1x8d n TRP 26 Ca 0.10 0.40 0.06 0.00 -1.31 0.00 0.00 57.50 56.76 1x8d n TRP 26 Cb 0.60 -2.53 0.50 0.00 -2.01 0.00 0.00 31.31 27.88 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 3.58 0.35 0.00 -0.99 0.11 -2.00 -1.59 132.00 131.47 1x8d h PRO 27 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1x8d h PRO 27 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1x8d h PRO 27 CO 0.70 0.23 -0.19 1.05 -0.21 0.00 0.00 178.00 179.58 1x8d h GLU 28 N 0.37 0.00 0.15 1.05 4.11 -1.99 -1.14 114.58 117.12 1x8d h GLU 28 Ca 0.12 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.24 1x8d h GLU 28 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x8d h GLU 28 CO -0.03 0.19 -1.50 1.25 0.07 0.00 0.00 179.01 178.99 1x8d h LEU 29 N 0.00 0.48 -0.60 3.06 5.85 -1.68 -2.89 115.31 119.54 1x8d h LEU 29 Ca -0.00 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.08 1x8d h LEU 29 Cb 0.60 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1x8d h LEU 29 CO 0.02 1.51 0.33 -0.08 -0.34 0.00 0.00 178.44 179.88 1x8d h GLU 30 N 0.08 0.84 -0.58 1.25 4.81 -1.09 0.26 114.58 120.16 1x8d h GLU 30 Ca -0.24 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1x8d h GLU 30 Cb 2.04 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 31.23 1x8d h GLU 30 CO 0.19 0.64 0.35 0.00 -0.73 0.00 0.00 179.01 179.46 1x8d h ALA 31 N 1.15 1.53 -0.21 2.92 0.00 -1.27 -0.96 119.26 122.42 1x8d h ALA 31 Ca 0.21 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1x8d h ALA 31 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1x8d h ALA 31 CO -0.03 0.41 -0.53 0.28 0.00 0.00 0.00 179.25 179.38 1x8d h VAL 32 N 0.80 1.30 0.04 0.00 2.07 -1.10 -1.19 116.25 118.18 1x8d h VAL 32 Ca 0.21 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1x8d h VAL 32 Cb -0.04 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1x8d h VAL 32 CO -0.04 0.55 -0.02 -0.07 0.02 0.00 0.00 177.57 178.01 1x8d h LEU 33 N 0.45 -0.05 -0.49 2.57 3.38 -0.41 -1.02 115.31 119.74 1x8d h LEU 33 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1x8d h LEU 33 Cb 1.14 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1x8d h LEU 33 CO 0.11 0.05 0.22 0.11 0.09 0.00 0.00 178.44 179.02 1x8d h LYS 34 N -0.15 0.72 -0.96 1.13 1.79 -1.25 -2.37 116.57 115.49 1x8d h LYS 34 Ca -0.01 -0.12 0.14 0.00 -2.18 0.00 0.00 60.65 58.48 1x8d h LYS 34 Cb 0.13 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 1x8d h LYS 34 CO 0.01 0.62 0.61 1.03 -1.08 0.00 0.00 179.45 180.64 1x8d h SER 35 N 0.65 0.80 -0.39 0.86 0.87 -1.00 -1.86 113.55 113.48 1x8d h SER 35 Ca 0.17 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 1x8d h SER 35 Cb 0.15 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 61.93 1x8d h SER 35 CO -0.02 0.40 0.14 1.41 -0.53 0.00 0.00 176.83 178.24 1x8d n HIS 36 N -4.61 1.31 -1.75 2.24 8.25 -0.40 -4.91 115.22 115.35 1x8d n HIS 36 Ca 0.19 -0.72 -0.04 0.00 -0.26 0.00 0.00 57.72 56.88 1x8d n HIS 36 Cb 0.42 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 0.04 0.37 3.86 -1.41 0.00 -0.70 -4.00 105.19 103.35 1x8d n GLY 37 Ca 0.22 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.18 3.76 0.04 4.61 0.00 -0.93 -1.10 121.76 125.96 1x8d s ALA 38 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1x8d s ALA 38 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1x8d s ALA 38 CO 0.00 0.56 0.04 -1.01 0.00 0.00 0.00 175.76 175.35 1x8d s HIS 39 N -1.22 0.28 -1.61 0.00 0.09 0.89 -4.54 115.29 109.18 1x8d s HIS 39 Ca 0.26 -0.62 -0.09 0.00 -0.00 0.00 0.00 55.06 54.61 1x8d s HIS 39 Cb -0.15 -0.20 0.08 0.00 -0.00 0.00 0.00 32.58 32.31 1x8d s HIS 39 CO 0.14 -0.33 0.38 0.09 -0.00 0.00 0.00 174.74 175.03 1x8d n ASN 40 N 0.84 -0.78 -4.62 1.40 5.03 -1.26 -1.28 115.26 114.58 1x8d n ASN 40 Ca -0.19 -1.15 -0.43 0.00 0.87 0.00 0.00 54.58 53.68 1x8d n ASN 40 Cb 0.58 -2.19 -0.02 0.00 -1.02 0.00 0.00 39.78 37.13 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 -3.83 2.56 0.07 3.10 6.14 -1.26 -4.37 117.35 119.76 1x8d s TYR 41 Ca 0.32 0.79 0.07 0.00 0.64 0.00 0.00 57.07 58.89 1x8d s TYR 41 Cb -0.18 -3.99 -0.03 0.00 0.42 0.00 0.00 41.96 38.18 1x8d s TYR 41 CO 0.96 -1.92 -0.19 0.00 0.64 0.00 0.00 175.55 175.05 1x8d s ALA 42 N 4.67 1.58 -0.04 3.97 0.00 0.18 -5.00 121.76 127.12 1x8d s ALA 42 Ca 0.59 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1x8d s ALA 42 Cb -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1x8d s ALA 42 CO 0.26 0.31 -0.04 0.42 0.00 0.00 0.00 175.76 176.71 1x8d s ILE 43 N -1.03 0.47 0.01 0.00 1.01 -1.26 -1.03 121.20 119.37 1x8d s ILE 43 Ca 0.04 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.69 1x8d s ILE 43 Cb -0.09 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1x8d s ILE 43 CO 0.03 0.21 -0.21 -0.31 0.00 0.00 0.00 174.94 174.66 1x8d s TYR 44 N 0.97 2.49 -0.21 3.97 1.51 0.26 -4.93 117.35 121.40 1x8d s TYR 44 Ca -0.10 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.54 1x8d s TYR 44 Cb -0.14 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1x8d s TYR 44 CO -0.00 0.16 0.21 -1.17 -1.11 0.00 0.00 175.55 173.63 1x8d s LEU 45 N -1.11 4.16 -0.54 -1.29 2.96 -1.26 -0.06 118.68 121.55 1x8d s LEU 45 Ca 0.13 0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.14 1x8d s LEU 45 Cb -0.10 -2.20 0.13 0.00 0.50 0.00 0.00 46.19 44.52 1x8d s LEU 45 CO 0.02 0.08 0.48 -0.62 -1.32 0.00 0.00 176.35 174.99 1x8d s ASP 46 N 0.80 6.13 0.26 3.68 -1.08 0.14 -4.95 116.67 121.66 1x8d s ASP 46 Ca 0.11 -1.83 -0.01 0.00 -0.52 0.00 0.00 52.55 50.29 1x8d s ASP 46 Cb -0.13 -2.18 0.34 0.00 -1.46 0.00 0.00 42.92 39.49 1x8d s ASP 46 CO 0.03 -0.83 1.74 0.11 0.52 0.00 0.00 175.17 176.75 1x8d h LYS 47 N 8.79 0.73 0.00 4.34 1.57 -1.96 -0.63 116.57 129.40 1x8d h LYS 47 Ca -0.28 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1x8d h LYS 47 Cb 1.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1x8d h LYS 47 CO 1.00 0.79 -0.39 0.00 -0.57 0.00 0.00 179.45 180.28 1x8d h ALA 48 N 1.26 1.11 -0.01 3.86 0.00 -1.96 -3.26 119.26 120.26 1x8d h ALA 48 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x8d h ALA 48 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x8d h ALA 48 CO 0.03 0.49 -0.23 0.54 0.00 0.00 0.00 179.25 180.08 1x8d n ARG 49 N -3.73 1.73 -3.50 0.00 1.74 -1.15 -4.99 116.66 106.77 1x8d n ARG 49 Ca -0.01 -0.80 -0.23 0.00 -0.77 0.00 0.00 57.85 56.04 1x8d n ARG 49 Cb 0.48 -1.19 0.07 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.04 -6.30 -4.46 0.55 3.02 -0.29 -4.97 115.26 102.77 1x8d n ASN 50 Ca 0.06 -0.50 -0.30 0.00 -0.03 0.00 0.00 54.58 53.81 1x8d n ASN 50 Cb 0.28 -4.96 -0.12 0.00 -0.61 0.00 0.00 39.78 34.38 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 -7.12 2.59 -0.19 3.41 1.43 -0.91 -2.20 118.68 115.68 1x8d s LEU 51 Ca 0.54 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1x8d s LEU 51 Cb -0.24 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1x8d s LEU 51 CO 0.67 0.20 -0.19 -0.76 0.23 0.00 0.00 176.35 176.50 1x8d s LEU 52 N -1.90 2.23 -0.28 1.79 1.43 -0.05 0.29 118.68 122.19 1x8d s LEU 52 Ca 0.16 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1x8d s LEU 52 Cb -0.10 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1x8d s LEU 52 CO 0.08 -0.01 0.20 0.12 0.23 0.00 0.00 176.35 176.97 1x8d s PHE 53 N 1.29 3.23 0.09 0.29 5.36 0.92 -0.88 117.98 128.28 1x8d s PHE 53 Ca 0.04 0.15 0.09 0.00 -0.96 0.00 0.00 56.93 56.25 1x8d s PHE 53 Cb -0.13 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1x8d s PHE 53 CO -0.12 -0.15 -0.25 0.00 -1.46 0.00 0.00 175.22 173.24 1x8d s ALA 54 N 1.73 2.14 -0.01 11.12 0.00 -0.51 0.89 121.76 137.12 1x8d s ALA 54 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1x8d s ALA 54 Cb -0.16 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1x8d s ALA 54 CO 0.10 0.48 -0.00 -1.64 0.00 0.00 0.00 175.76 174.70 1x8d s MET 55 N -1.69 0.10 -0.14 0.00 1.00 -0.20 -2.15 119.30 116.22 1x8d s MET 55 Ca 0.11 0.03 -0.16 0.00 0.00 0.00 0.00 55.69 55.66 1x8d s MET 55 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 34.83 34.58 1x8d s MET 55 CO 0.04 -0.04 0.45 0.54 0.00 0.00 0.00 175.02 176.01 1x8d s VAL 56 N 0.39 0.01 -0.22 -6.03 0.11 0.05 -0.64 120.40 114.06 1x8d s VAL 56 Ca -0.03 -0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 1x8d s VAL 56 Cb -0.05 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1x8d s VAL 56 CO -0.01 -0.03 0.12 -1.61 -3.33 0.00 0.00 175.10 170.24 1x8d s GLU 57 N -0.04 4.04 0.24 1.54 2.02 -0.41 -0.01 118.70 126.08 1x8d s GLU 57 Ca -0.02 -0.30 0.12 0.00 0.02 0.00 0.00 54.97 54.79 1x8d s GLU 57 Cb -0.03 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 1x8d s GLU 57 CO 0.02 0.14 -0.22 0.96 0.02 0.00 0.00 175.26 176.18 1x8d s ILE 58 N 0.80 2.44 0.02 -1.63 -0.00 -0.33 -0.07 121.20 122.43 1x8d s ILE 58 Ca 0.06 -2.20 -0.11 0.00 -0.00 0.00 0.00 60.65 58.40 1x8d s ILE 58 Cb -0.13 -2.22 -0.32 0.00 -0.00 0.00 0.00 42.46 39.78 1x8d s ILE 58 CO 0.02 -0.25 0.94 -0.33 -0.00 0.00 0.00 174.94 175.32 1x8d h GLU 59 N 2.74 0.42 -3.75 0.37 5.08 -1.40 -2.95 114.58 115.10 1x8d h GLU 59 Ca -0.43 -0.71 -0.22 0.00 -1.00 0.00 0.00 59.36 57.00 1x8d h GLU 59 Cb 1.23 0.27 -0.27 0.00 0.50 0.00 0.00 28.75 30.48 1x8d h GLU 59 CO 0.54 1.33 -0.70 0.45 -1.00 0.00 0.00 179.01 179.62 1x8d s SER 60 N -7.35 0.03 0.20 1.42 0.15 -1.26 -4.88 113.70 102.01 1x8d s SER 60 Ca -0.09 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1x8d s SER 60 Cb 0.05 0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.54 1x8d s SER 60 CO 0.90 -0.06 1.48 -0.33 1.20 0.00 0.00 173.24 176.44 1x8d h GLU 61 N 5.87 0.26 -0.11 5.44 4.39 -1.97 -1.45 114.58 127.02 1x8d h GLU 61 Ca -0.25 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 1x8d h GLU 61 Cb 1.21 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1x8d h GLU 61 CO 0.49 0.86 -0.50 1.49 -1.16 0.00 0.00 179.01 180.19 1x8d h GLU 62 N 0.18 0.53 -0.33 2.33 4.81 -1.98 -1.58 114.58 118.53 1x8d h GLU 62 Ca -0.02 -0.42 -0.13 0.00 -0.13 0.00 0.00 59.36 58.66 1x8d h GLU 62 Cb 1.25 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1x8d h GLU 62 CO 0.11 1.05 -0.31 0.00 -0.73 0.00 0.00 179.01 179.13 1x8d h ARG 63 N 0.13 0.71 -0.21 1.92 3.08 -1.86 -1.25 114.38 116.90 1x8d h ARG 63 Ca -0.03 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1x8d h ARG 63 Cb 1.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1x8d h ARG 63 CO 0.10 0.93 -0.02 2.35 -1.07 0.00 0.00 179.97 182.26 1x8d h TRP 64 N 0.61 0.42 0.00 3.04 2.91 -1.28 -2.62 115.95 119.03 1x8d h TRP 64 Ca 0.07 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1x8d h TRP 64 Cb 0.82 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1x8d h TRP 64 CO 0.04 0.59 -0.10 -0.91 -1.03 0.00 0.00 178.44 177.03 1x8d h ASN 65 N 0.13 0.00 0.14 2.65 2.35 -1.18 -2.07 115.58 117.58 1x8d h ASN 65 Ca 0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1x8d h ASN 65 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1x8d h ASN 65 CO 0.01 0.10 -0.12 0.00 -1.65 0.00 0.00 177.43 175.77 1x8d h ALA 66 N 1.90 1.75 -0.83 -0.83 0.00 -0.83 -2.92 119.26 117.50 1x8d h ALA 66 Ca -0.00 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1x8d h ALA 66 Cb 0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1x8d h ALA 66 CO 0.01 0.15 0.42 0.28 0.00 0.00 0.00 179.25 180.12 1x8d h VAL 67 N 0.00 0.75 -0.39 0.00 2.07 -1.31 -1.98 116.25 115.38 1x8d h VAL 67 Ca -0.00 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1x8d h VAL 67 Cb 0.22 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1x8d h VAL 67 CO 0.02 0.11 0.31 0.00 0.02 0.00 0.00 177.57 178.03 1x8d h ALA 68 N 1.54 2.29 0.00 1.67 0.00 -1.69 -1.88 119.26 121.18 1x8d h ALA 68 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1x8d h ALA 68 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x8d h ALA 68 CO -0.35 -0.51 -0.53 0.43 0.00 0.00 0.00 179.25 178.29 1x8d n SER 69 N -4.24 0.60 -4.76 0.00 7.64 -0.74 -4.50 113.62 107.63 1x8d n SER 69 Ca 0.07 0.07 -0.37 0.00 1.01 0.00 0.00 58.87 59.64 1x8d n SER 69 Cb 0.50 0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1x8d n SER 69 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1x8d s THR 70 N -3.11 2.57 0.15 0.44 -4.23 -0.71 -4.88 115.64 105.88 1x8d s THR 70 Ca 0.08 0.40 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 1x8d s THR 70 Cb 0.15 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1x8d s THR 70 CO 0.70 -0.04 1.74 0.44 -0.54 0.00 0.00 174.62 176.92 1x8d h ASP 71 N 1.33 0.09 -0.54 3.99 3.45 -1.91 -1.88 116.42 120.95 1x8d h ASP 71 Ca -0.50 0.04 0.07 0.00 0.43 0.00 0.00 57.03 57.06 1x8d h ASP 71 Cb 1.29 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 40.03 1x8d h ASP 71 CO 0.57 0.09 0.22 1.62 -1.57 0.00 0.00 179.24 180.17 1x8d h VAL 72 N 0.23 0.85 -0.50 -1.35 3.04 -1.93 0.23 116.25 116.82 1x8d h VAL 72 Ca 0.14 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 65.59 1x8d h VAL 72 Cb 0.13 0.39 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 1x8d h VAL 72 CO -0.16 0.08 -0.07 0.00 -1.01 0.00 0.00 177.57 176.40 1x8d h GLN 74 N 0.81 0.93 -0.25 0.00 1.08 -0.66 0.28 115.11 117.30 1x8d h GLN 74 Ca 0.14 -0.24 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 1x8d h GLN 74 Cb 0.58 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1x8d h GLN 74 CO 0.04 0.88 -0.42 -0.09 -0.95 0.00 0.00 178.83 178.28 1x8d h ARG 75 N 0.87 0.60 0.23 1.46 2.43 -0.10 -2.07 114.38 117.81 1x8d h ARG 75 Ca 0.18 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1x8d h ARG 75 Cb 0.42 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1x8d h ARG 75 CO 0.01 0.91 -0.11 2.35 -1.51 0.00 0.00 179.97 181.62 1x8d h TRP 76 N 0.49 -0.29 -1.01 2.20 2.91 -0.19 -2.28 115.95 117.78 1x8d h TRP 76 Ca 0.04 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.14 1x8d h TRP 76 Cb 0.93 0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.61 1x8d h TRP 76 CO 0.04 -0.00 0.64 -1.49 -1.03 0.00 0.00 178.44 176.60 1x8d h TRP 77 N -0.57 1.18 -0.71 2.65 6.55 -0.94 0.88 115.95 125.00 1x8d h TRP 77 Ca -0.03 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1x8d h TRP 77 Cb 0.42 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 28.30 1x8d h TRP 77 CO 0.01 0.56 0.26 -0.22 -1.05 0.00 0.00 178.44 178.00 1x8d h LYS 78 N 1.11 1.07 -0.38 0.49 3.64 -1.31 -2.16 116.57 119.04 1x8d h LYS 78 Ca 0.46 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1x8d h LYS 78 Cb 0.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1x8d h LYS 78 CO -0.21 0.90 0.04 -0.92 -2.27 0.00 0.00 179.45 176.98 1x8d h TYR 79 N 1.02 0.59 0.00 1.91 3.20 -0.55 -3.07 116.97 120.07 1x8d h TYR 79 Ca 0.23 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1x8d h TYR 79 Cb 0.24 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1x8d h TYR 79 CO 0.02 0.55 -0.11 -1.33 -1.64 0.00 0.00 178.16 175.65 1x8d n MET 80 N -4.29 0.06 0.27 1.82 2.81 0.16 -4.13 117.12 113.82 1x8d n MET 80 Ca 0.02 0.04 0.16 0.00 -1.81 0.00 0.00 57.70 56.11 1x8d n MET 80 Cb 0.23 -1.56 0.90 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.48 -0.00 2.03 1.35 -1.34 -2.11 112.91 113.32 1x8d h THR 81 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x8d h THR 81 Cb 0.55 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1x8d h THR 81 CO 0.00 0.00 -0.01 -0.90 -0.25 0.00 0.00 175.52 174.36 1x8d n ASP 82 N -3.79 0.17 0.00 5.36 5.75 -1.26 -3.64 116.55 119.14 1x8d n ASP 82 Ca -0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 1x8d n ASP 82 Cb 0.16 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1x8d n ASP 82 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1x8d n VAL 83 N -0.98 0.14 -3.48 2.12 0.24 -0.80 -5.01 118.33 110.55 1x8d n VAL 83 Ca 0.20 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1x8d n VAL 83 Cb 0.18 1.10 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.14 1.10 0.16 7.34 0.23 -1.16 -1.38 119.30 125.45 1x8d s MET 84 Ca 0.00 -0.09 -0.31 0.00 -1.03 0.00 0.00 55.69 54.26 1x8d s MET 84 Cb 0.00 0.51 -0.10 0.00 -1.53 0.00 0.00 34.83 33.72 1x8d s MET 84 CO 0.00 -0.42 1.56 -2.14 -2.03 0.00 0.00 175.02 171.99 1x8d s PRO 85 N -2.38 4.22 0.17 3.16 0.02 -1.26 -4.59 135.00 134.35 1x8d s PRO 85 Ca -0.04 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.36 1x8d s PRO 85 Cb -0.01 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1x8d s PRO 85 CO -0.01 -0.60 -0.07 0.00 -0.33 0.00 0.00 177.00 175.99 1x8d s ALA 86 N 1.21 1.54 0.79 -1.55 0.00 -1.26 -1.79 121.76 120.69 1x8d s ALA 86 Ca 0.70 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1x8d s ALA 86 Cb -0.43 0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1x8d s ALA 86 CO 0.31 -0.16 1.13 -0.80 0.00 0.00 0.00 175.76 176.24 1x8d s ASN 87 N -3.20 4.66 0.47 0.00 -0.87 0.29 -4.76 114.94 111.53 1x8d s ASN 87 Ca 0.20 1.01 0.21 0.00 -1.57 0.00 0.00 52.86 52.72 1x8d s ASN 87 Cb 0.04 -1.66 1.22 0.00 -0.02 0.00 0.00 41.25 40.83 1x8d s ASN 87 CO 0.03 -1.83 1.93 -0.65 -2.57 0.00 0.00 177.10 174.01 1x8d h PRO 88 N -1.00 0.23 -0.07 -0.60 0.11 -2.02 0.20 132.00 128.85 1x8d h PRO 88 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1x8d h PRO 88 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1x8d h PRO 88 CO 0.64 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1x8d n ASP 89 N -4.42 0.46 0.00 -2.05 5.68 -1.26 -4.89 116.55 110.06 1x8d n ASP 89 Ca 0.14 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1x8d n ASP 89 Cb 0.63 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1x8d n ASP 89 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1x8d n ASN 90 N -0.36 0.00 -4.77 -1.12 3.02 0.69 -4.95 115.26 107.77 1x8d n ASN 90 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 1x8d n ASN 90 Cb 0.10 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 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 -3.56 6.44 0.45 6.41 1.04 -1.26 -4.56 113.70 118.66 1x8d s SER 91 Ca 0.00 2.62 -0.23 0.00 0.48 0.00 0.00 55.95 58.82 1x8d s SER 91 Cb 0.00 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 1x8d s SER 91 CO 0.00 -0.76 1.20 -2.16 0.98 0.00 0.00 173.24 172.50 1x8d s PRO 92 N -2.15 3.76 0.09 4.02 0.04 -1.26 0.11 135.00 139.61 1x8d s PRO 92 Ca 0.55 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 1x8d s PRO 92 Cb -0.37 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 1x8d s PRO 92 CO 0.48 -0.57 1.71 0.08 0.04 0.00 0.00 177.00 178.74 1x8d s VAL 93 N -1.47 2.84 -0.01 -0.36 1.01 -0.74 -4.69 120.40 116.97 1x8d s VAL 93 Ca 0.63 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.75 1x8d s VAL 93 Cb -0.31 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1x8d s VAL 93 CO 0.38 0.00 0.41 -0.55 0.00 0.00 0.00 175.10 175.34 1x8d s SER 94 N 2.46 -0.31 -0.00 3.32 0.15 -1.26 -3.85 113.70 114.20 1x8d s SER 94 Ca 0.76 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.65 1x8d s SER 94 Cb -0.42 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1x8d s SER 94 CO 0.34 -0.52 -0.06 -0.44 1.20 0.00 0.00 173.24 173.76 1x8d s SER 95 N -1.39 0.69 0.30 5.45 0.01 -0.56 -4.96 113.70 113.25 1x8d s SER 95 Ca -0.12 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 1x8d s SER 95 Cb -0.03 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.03 1x8d s SER 95 CO 0.05 0.07 1.00 -0.70 0.41 0.00 0.00 173.24 174.06 1x8d s GLU 96 N -0.17 4.60 0.12 12.44 2.12 -1.26 -0.50 118.70 136.04 1x8d s GLU 96 Ca 0.02 1.52 0.02 0.00 0.36 0.00 0.00 54.97 56.89 1x8d s GLU 96 Cb -0.02 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1x8d s GLU 96 CO -0.00 0.25 0.22 -0.51 -0.54 0.00 0.00 175.26 174.68 1x8d s LEU 97 N -1.78 4.21 -0.24 2.70 1.43 0.29 -4.87 118.68 120.41 1x8d s LEU 97 Ca 0.48 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 1x8d s LEU 97 Cb -0.24 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1x8d s LEU 97 CO 0.31 0.10 0.10 -1.58 0.23 0.00 0.00 176.35 175.50 1x8d s GLN 98 N -2.95 3.79 0.02 1.70 0.74 -1.26 -4.59 119.66 117.11 1x8d s GLN 98 Ca 0.34 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 1x8d s GLN 98 Cb -0.11 -3.39 -0.06 0.00 1.10 0.00 0.00 33.01 30.54 1x8d s GLN 98 CO 0.27 -0.10 1.51 -2.00 -0.55 0.00 0.00 175.29 174.42 1x8d s GLU 99 N 1.42 4.24 -0.00 1.67 2.12 -1.26 -4.87 118.70 122.02 1x8d s GLU 99 Ca 0.06 2.11 0.04 0.00 0.36 0.00 0.00 54.97 57.54 1x8d s GLU 99 Cb -0.15 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1x8d s GLU 99 CO 0.05 -0.66 0.17 1.33 -0.54 0.00 0.00 175.26 175.61 1x8d n VAL 100 N 4.75 0.00 -3.70 3.70 0.24 -1.26 -5.03 118.33 117.03 1x8d n VAL 100 Ca 0.14 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1x8d n VAL 100 Cb 0.42 0.99 -0.09 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.39 -0.50 -0.30 6.34 5.36 -1.26 -5.15 117.98 121.08 1x8d s PHE 101 Ca 0.01 1.18 -0.07 0.00 -0.96 0.00 0.00 56.93 57.10 1x8d s PHE 101 Cb 0.03 0.19 0.16 0.00 -0.34 0.00 0.00 43.02 43.05 1x8d s PHE 101 CO 0.17 -0.29 0.65 -0.47 -1.46 0.00 0.00 175.22 173.81 1x8d s TYR 102 N -0.01 -1.41 -0.29 10.12 6.14 -1.26 -5.13 117.35 125.52 1x8d s TYR 102 Ca -0.02 2.01 0.03 0.00 0.64 0.00 0.00 57.07 59.73 1x8d s TYR 102 Cb -0.03 0.69 0.08 0.00 0.42 0.00 0.00 41.96 43.11 1x8d s TYR 102 CO 0.02 -0.73 -0.04 -1.17 0.64 0.00 0.00 175.55 174.26 1x8d s LEU 103 N 2.87 3.84 0.00 6.97 2.96 -1.26 -5.31 118.68 128.75 1x8d s LEU 103 Ca 0.05 -1.67 0.00 0.00 -0.22 0.00 0.00 54.13 52.29 1x8d s LEU 103 Cb -0.13 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1x8d s LEU 103 CO -0.20 -0.27 0.33 -2.65 -1.32 0.00 0.00 176.35 172.24