#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiz h ALA 0 N 0.00 1.63 -0.11 5.20 0.00 -2.01 -2.52 119.26 121.46 1xiz h ALA 0 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xiz h ALA 0 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xiz h ALA 0 CO 0.00 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 1xiz n MET 1 N -4.21 1.38 0.24 0.00 2.81 -1.26 -3.86 117.12 112.23 1xiz n MET 1 Ca -0.02 -0.44 0.17 0.00 -1.81 0.00 0.00 57.70 55.59 1xiz n MET 1 Cb 0.24 -1.27 0.80 0.00 -0.71 0.00 0.00 33.22 32.28 1xiz n MET 1 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 1xiz h GLN 2 N 0.66 0.00 -0.32 0.03 3.07 -1.80 -1.76 115.11 114.99 1xiz h GLN 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xiz h GLN 2 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1xiz h GLN 2 CO 0.03 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.70 1xiz n ASP 3 N -2.75 3.00 -4.70 0.06 8.00 -1.25 -4.91 116.55 114.00 1xiz n ASP 3 Ca -0.01 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.18 1xiz n ASP 3 Cb 0.16 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1xiz n ASP 3 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xiz s ILE 4 N -1.59 5.12 -0.08 0.53 -1.09 -0.67 -4.48 121.20 118.95 1xiz s ILE 4 Ca 0.37 1.11 -0.22 0.00 -2.23 0.00 0.00 60.65 59.67 1xiz s ILE 4 Cb 0.21 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1xiz s ILE 4 CO 0.30 0.26 0.65 -1.00 -1.23 0.00 0.00 174.94 173.92 1xiz s HIS 5 N 0.99 3.56 -0.18 3.97 3.76 -0.21 -4.92 115.29 122.26 1xiz s HIS 5 Ca 0.29 1.17 -0.05 0.00 -0.15 0.00 0.00 55.06 56.32 1xiz s HIS 5 Cb -0.16 -2.75 0.07 0.00 1.11 0.00 0.00 32.58 30.84 1xiz s HIS 5 CO 0.12 0.10 0.11 0.12 -0.85 0.00 0.00 174.74 174.34 1xiz s PHE 6 N 0.80 0.12 0.31 1.40 5.36 -1.26 -2.20 117.98 122.51 1xiz s PHE 6 Ca 0.35 -0.24 0.09 0.00 -0.96 0.00 0.00 56.93 56.18 1xiz s PHE 6 Cb -0.17 -0.64 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 1xiz s PHE 6 CO 0.16 -0.53 0.01 1.03 -1.46 0.00 0.00 175.22 174.43 1xiz s ARG 7 N 2.17 2.14 0.30 10.12 0.52 -1.26 -5.00 118.95 127.94 1xiz s ARG 7 Ca 0.03 -1.63 0.06 0.00 -0.52 0.00 0.00 55.73 53.66 1xiz s ARG 7 Cb -0.16 -2.01 0.73 0.00 0.52 0.00 0.00 34.95 34.03 1xiz s ARG 7 CO -0.10 0.21 1.78 -0.09 0.02 0.00 0.00 175.30 177.12 1xiz h ARG 8 N 1.83 0.75 -0.30 3.54 9.65 -1.96 0.24 114.38 128.14 1xiz h ARG 8 Ca -0.43 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1xiz h ARG 8 Cb 1.25 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1xiz h ARG 8 CO 0.64 0.50 0.00 -2.39 2.80 0.00 0.00 179.97 181.52 1xiz n HIS 9 N -4.76 0.25 -0.67 2.20 1.44 -1.26 -3.04 115.22 109.38 1xiz n HIS 9 Ca 0.23 -0.11 0.09 0.00 -2.01 0.00 0.00 57.72 55.92 1xiz n HIS 9 Cb 0.56 -0.04 0.37 0.00 0.12 0.00 0.00 29.99 31.00 1xiz n HIS 9 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1xiz n TYR 10 N -0.01 1.56 -4.40 -1.40 4.02 0.86 -4.81 117.16 112.97 1xiz n TYR 10 Ca 0.05 -0.63 -0.19 0.00 -0.01 0.00 0.00 57.90 57.12 1xiz n TYR 10 Cb 0.19 -0.28 -0.14 0.00 -0.02 0.00 0.00 39.34 39.09 1xiz n TYR 10 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xiz s VAL 11 N -1.97 0.85 -0.22 -0.72 1.01 -1.17 -0.16 120.40 118.02 1xiz s VAL 11 Ca 0.52 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1xiz s VAL 11 Cb 0.34 -0.73 0.16 0.00 0.00 0.00 0.00 36.38 36.15 1xiz s VAL 11 CO 0.24 0.16 1.17 0.00 0.00 0.00 0.00 175.10 176.66 1xiz s ARG 12 N -0.47 0.34 -0.05 2.72 1.70 -1.10 -5.00 118.95 117.10 1xiz s ARG 12 Ca 0.03 0.09 -0.15 0.00 -0.47 0.00 0.00 55.73 55.22 1xiz s ARG 12 Cb -0.05 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1xiz s ARG 12 CO -0.00 -0.11 0.41 -1.01 -1.08 0.00 0.00 175.30 173.51 1xiz s HIS 13 N -1.04 3.65 0.03 5.89 3.76 -1.26 -1.77 115.29 124.54 1xiz s HIS 13 Ca 0.03 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 55.87 1xiz s HIS 13 Cb -0.01 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1xiz s HIS 13 CO -0.03 0.50 0.08 -0.51 -0.85 0.00 0.00 174.74 173.93 1xiz s LEU 14 N -0.53 3.86 0.80 0.89 1.43 -0.00 -4.91 118.68 120.21 1xiz s LEU 14 Ca 0.23 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 1xiz s LEU 14 Cb -0.16 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 43.77 1xiz s LEU 14 CO 0.11 0.23 1.10 -2.16 0.23 0.00 0.00 176.35 175.87 1xiz s PRO 15 N -2.00 2.03 0.94 1.29 0.04 -1.26 -2.16 135.00 133.88 1xiz s PRO 15 Ca 0.26 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 1xiz s PRO 15 Cb -0.12 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1xiz s PRO 15 CO 0.17 -1.65 1.09 0.15 0.04 0.00 0.00 177.00 176.81 1xiz s LYS 16 N -5.18 0.90 -0.83 4.56 1.02 -1.26 -3.84 119.74 115.12 1xiz s LYS 16 Ca 0.61 0.72 0.00 0.00 0.02 0.00 0.00 55.97 57.32 1xiz s LYS 16 Cb -0.14 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1xiz s LYS 16 CO 0.54 -2.46 0.00 0.39 -0.92 0.00 0.00 175.35 172.90 1xiz n GLU 17 N -4.02 -0.78 -3.72 1.68 -0.58 -1.26 -5.03 120.64 106.93 1xiz n GLU 17 Ca 0.06 0.71 -0.36 0.00 -0.42 0.00 0.00 57.16 57.16 1xiz n GLU 17 Cb 0.56 -4.60 -0.06 0.00 -0.57 0.00 0.00 31.44 26.77 1xiz n GLU 17 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1xiz s VAL 18 N -2.17 5.27 0.72 2.62 -7.23 -1.25 -5.10 120.40 113.27 1xiz s VAL 18 Ca 0.00 0.32 -0.03 0.00 -1.81 0.00 0.00 61.98 60.46 1xiz s VAL 18 Cb 0.00 -3.57 0.11 0.00 0.56 0.00 0.00 36.38 33.48 1xiz s VAL 18 CO 0.00 0.44 1.01 -0.94 -0.31 0.00 0.00 175.10 175.30 1xiz s SER 19 N -1.47 4.39 0.17 4.85 1.04 -1.26 -4.89 113.70 116.54 1xiz s SER 19 Ca 0.25 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 1xiz s SER 19 Cb -0.14 -0.34 0.10 0.00 0.10 0.00 0.00 66.02 65.74 1xiz s SER 19 CO 0.13 -1.83 1.80 -0.61 0.98 0.00 0.00 173.24 173.72 1xiz h GLN 20 N -0.59 0.53 -0.76 4.02 4.15 -1.99 -1.41 115.11 119.05 1xiz h GLN 20 Ca -0.39 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.96 1xiz h GLN 20 Cb 1.27 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 1xiz h GLN 20 CO 0.45 0.35 0.33 -0.91 -1.93 0.00 0.00 178.83 177.12 1xiz h ASN 21 N 0.54 1.02 -0.34 -0.69 4.21 -1.99 -1.29 115.58 117.04 1xiz h ASN 21 Ca 0.20 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1xiz h ASN 21 Cb 0.06 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 1xiz h ASN 21 CO -0.11 0.88 0.17 0.44 -1.29 0.00 0.00 177.43 177.52 1xiz h ASP 22 N 1.10 0.44 -0.20 5.81 3.32 -1.80 -0.91 116.42 124.19 1xiz h ASP 22 Ca 0.26 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1xiz h ASP 22 Cb 0.16 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1xiz h ASP 22 CO -0.03 0.44 -0.05 0.40 -1.72 0.00 0.00 179.24 178.27 1xiz h ILE 23 N 0.42 0.79 -0.60 0.35 2.04 -0.89 0.22 117.51 119.84 1xiz h ILE 23 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1xiz h ILE 23 Cb 0.11 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1xiz h ILE 23 CO -0.02 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.85 1xiz h ILE 24 N -0.01 1.20 -0.32 -0.67 2.04 -1.05 -0.47 117.51 118.24 1xiz h ILE 24 Ca 0.10 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1xiz h ILE 24 Cb 0.15 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1xiz h ILE 24 CO -0.21 0.22 -0.18 0.11 0.00 0.00 0.00 178.15 178.09 1xiz h LYS 25 N 0.82 0.59 -0.29 2.37 1.57 -0.75 -0.99 116.57 119.88 1xiz h LYS 25 Ca 0.21 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1xiz h LYS 25 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xiz h LYS 25 CO -0.03 0.74 -0.22 0.00 -0.57 0.00 0.00 179.45 179.37 1xiz h ALA 26 N 1.28 0.42 0.00 3.86 0.00 -0.13 -2.10 119.26 122.59 1xiz h ALA 26 Ca 0.09 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1xiz h ALA 26 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xiz h ALA 26 CO 0.04 0.38 -0.52 -0.07 0.00 0.00 0.00 179.25 179.08 1xiz h LEU 27 N 0.41 0.00 -0.21 0.00 3.38 -0.99 -3.14 115.31 114.76 1xiz h LEU 27 Ca 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1xiz h LEU 27 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xiz h LEU 27 CO 0.06 0.52 -0.92 0.00 0.09 0.00 0.00 178.44 178.19 1xiz h ALA 28 N 1.48 0.49 -0.90 1.53 0.00 -1.13 -3.38 119.26 117.35 1xiz h ALA 28 Ca -0.01 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.25 1xiz h ALA 28 Cb 1.03 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1xiz h ALA 28 CO 0.07 1.03 -0.43 1.03 0.00 0.00 0.00 179.25 180.95 1xiz h SER 29 N 0.05 -1.56 -0.81 0.00 0.87 -1.33 0.04 113.55 110.80 1xiz h SER 29 Ca -0.03 0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1xiz h SER 29 Cb 1.59 0.77 -0.04 0.00 -0.44 0.00 0.00 62.40 64.28 1xiz h SER 29 CO 0.13 -0.29 0.48 1.55 -0.53 0.00 0.00 176.83 178.17 1xiz h PRO 30 N -0.05 1.12 -0.39 2.24 0.13 -1.76 -0.57 132.00 132.71 1xiz h PRO 30 Ca 0.28 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1xiz h PRO 30 Cb 0.55 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1xiz h PRO 30 CO -0.91 0.80 0.07 -0.07 -0.23 0.00 0.00 178.00 177.66 1xiz h LEU 31 N 1.13 0.62 -0.44 1.56 3.38 -1.42 -0.68 115.31 119.45 1xiz h LEU 31 Ca 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xiz h LEU 31 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1xiz h LEU 31 CO -0.05 0.71 0.28 0.40 0.09 0.00 0.00 178.44 179.87 1xiz h ILE 32 N 0.50 1.13 -0.45 1.22 2.04 -0.71 -0.91 117.51 120.33 1xiz h ILE 32 Ca 0.12 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1xiz h ILE 32 Cb 0.35 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xiz h ILE 32 CO 0.01 0.13 -0.06 0.78 0.00 0.00 0.00 178.15 179.01 1xiz h ASN 33 N 0.59 0.76 0.33 1.72 2.35 -0.90 -2.40 115.58 118.04 1xiz h ASN 33 Ca 0.16 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xiz h ASN 33 Cb -0.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1xiz h ASN 33 CO -0.03 0.87 0.00 0.47 -1.65 0.00 0.00 177.43 177.08 1xiz n ASP 34 N -4.19 0.00 -0.24 5.81 8.00 -0.28 -4.88 116.55 120.77 1xiz n ASP 34 Ca 0.02 -0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.12 1xiz n ASP 34 Cb 0.33 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1xiz n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xiz n GLY 35 N 0.92 0.62 0.17 0.44 0.00 -0.79 -4.91 105.19 101.65 1xiz n GLY 35 Ca 0.16 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.49 1xiz n GLY 35 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xiz h MET 36 N 0.15 0.00 -4.57 1.61 2.86 -1.43 -3.44 114.93 110.11 1xiz h MET 36 Ca -0.06 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.35 1xiz h MET 36 Cb 0.24 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.75 1xiz h MET 36 CO 0.09 0.40 -0.64 0.14 1.06 0.00 0.00 176.91 177.97 1xiz s VAL 37 N -3.38 0.21 0.64 -2.22 -7.23 -1.24 -0.98 120.40 106.21 1xiz s VAL 37 Ca 0.01 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1xiz s VAL 37 Cb 0.10 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1xiz s VAL 37 CO 0.70 -0.30 1.17 0.68 -0.31 0.00 0.00 175.10 177.04 1xiz s VAL 38 N -3.99 2.80 0.44 1.32 -7.23 -0.64 -4.67 120.40 108.43 1xiz s VAL 38 Ca 0.29 0.43 0.22 0.00 -1.81 0.00 0.00 61.98 61.12 1xiz s VAL 38 Cb 0.07 -3.04 0.42 0.00 0.56 0.00 0.00 36.38 34.40 1xiz s VAL 38 CO 0.06 -0.18 1.80 0.77 -0.31 0.00 0.00 175.10 177.24 1xiz h SER 39 N 0.34 0.33 -0.70 4.85 4.64 -1.92 -1.18 113.55 119.90 1xiz h SER 39 Ca -0.48 0.06 -0.34 0.00 -0.47 0.00 0.00 61.79 60.55 1xiz h SER 39 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.16 1xiz h SER 39 CO 0.54 0.07 0.31 -0.90 -0.87 0.00 0.00 176.83 175.98 1xiz n ASP 40 N -4.51 3.35 -0.19 4.97 5.75 -1.26 -4.68 116.55 119.99 1xiz n ASP 40 Ca 0.24 -3.63 -0.00 0.00 -0.01 0.00 0.00 54.79 51.39 1xiz n ASP 40 Cb 0.92 -0.74 0.10 0.00 -1.03 0.00 0.00 41.12 40.37 1xiz n ASP 40 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1xiz h PHE 41 N 1.18 0.19 -1.00 2.11 3.57 -1.56 -2.09 116.94 119.33 1xiz h PHE 41 Ca 0.42 0.03 0.13 0.00 3.53 0.00 0.00 57.97 62.08 1xiz h PHE 41 Cb 2.31 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.97 1xiz h PHE 41 CO 1.32 -0.02 0.63 0.00 -2.23 0.00 0.00 178.31 178.01 1xiz h ALA 42 N 1.45 1.53 0.00 2.41 0.00 -1.84 -0.66 119.26 122.15 1xiz h ALA 42 Ca 0.30 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1xiz h ALA 42 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xiz h ALA 42 CO -0.38 0.20 -0.61 -0.44 0.00 0.00 0.00 179.25 178.02 1xiz h ASP 43 N 0.97 0.00 -0.09 0.00 3.32 -1.76 -0.42 116.42 118.45 1xiz h ASP 43 Ca 0.51 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 1xiz h ASP 43 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xiz h ASP 43 CO -0.28 0.61 -0.52 0.45 -1.72 0.00 0.00 179.24 177.78 1xiz h HIS 44 N 0.00 0.83 -0.48 4.55 3.86 -0.98 -1.66 115.15 121.26 1xiz h HIS 44 Ca -0.01 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 1xiz h HIS 44 Cb 1.08 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1xiz h HIS 44 CO 0.00 1.05 0.07 0.28 0.86 0.00 0.00 177.93 180.19 1xiz h VAL 45 N 0.52 1.25 0.06 2.45 2.07 -0.99 -1.15 116.25 120.47 1xiz h VAL 45 Ca 0.02 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1xiz h VAL 45 Cb 1.08 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1xiz h VAL 45 CO 0.10 0.33 -0.03 0.40 0.02 0.00 0.00 177.57 178.39 1xiz h ILE 46 N 0.68 0.94 -0.54 4.57 2.04 -0.91 0.85 117.51 125.13 1xiz h ILE 46 Ca 0.15 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1xiz h ILE 46 Cb 0.40 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1xiz h ILE 46 CO 0.01 0.00 0.31 0.74 0.00 0.00 0.00 178.15 179.22 1xiz h THR 47 N -0.09 1.03 -0.29 -0.27 2.02 -1.22 -1.34 112.91 112.74 1xiz h THR 47 Ca -0.01 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1xiz h THR 47 Cb 0.07 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1xiz h THR 47 CO 0.01 0.11 0.13 -0.09 0.37 0.00 0.00 175.52 176.06 1xiz h ARG 48 N 0.62 0.27 -0.90 6.66 9.65 -0.87 -2.02 114.38 127.78 1xiz h ARG 48 Ca 0.23 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1xiz h ARG 48 Cb 0.06 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1xiz h ARG 48 CO -0.12 0.18 0.58 1.49 2.80 0.00 0.00 179.97 184.90 1xiz h GLU 49 N 0.28 1.20 -0.27 0.20 4.57 -0.35 0.55 114.58 120.77 1xiz h GLU 49 Ca 0.12 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 1xiz h GLU 49 Cb 0.06 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1xiz h GLU 49 CO -0.10 0.81 -0.33 1.96 -1.18 0.00 0.00 179.01 180.17 1xiz h GLN 50 N 1.23 0.57 0.07 1.92 4.20 -0.98 -2.77 115.11 119.35 1xiz h GLN 50 Ca 0.33 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1xiz h GLN 50 Cb -0.11 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.66 1xiz h GLN 50 CO -0.07 0.83 -0.57 -0.91 -0.67 0.00 0.00 178.83 177.44 1xiz h ASN 51 N 0.48 0.23 -3.68 1.46 2.35 -0.63 -3.42 115.58 112.38 1xiz h ASN 51 Ca 0.05 -0.93 -0.62 0.00 -0.55 0.00 0.00 56.30 54.26 1xiz h ASN 51 Cb 0.81 -0.08 -0.40 0.00 0.05 0.00 0.00 38.32 38.70 1xiz h ASN 51 CO 0.07 1.26 -0.72 -0.36 -1.65 0.00 0.00 177.43 176.03 1xiz s PHE 52 N -2.34 2.22 0.72 1.19 0.08 0.19 -5.10 117.98 114.94 1xiz s PHE 52 Ca -0.17 -2.57 -0.16 0.00 0.12 0.00 0.00 56.93 54.15 1xiz s PHE 52 Cb -0.00 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1xiz s PHE 52 CO 0.75 -0.78 1.09 -0.35 -0.10 0.00 0.00 175.22 175.83 1xiz n PRO 53 N 3.48 0.57 -0.65 0.24 -0.04 -1.05 -4.27 135.00 133.30 1xiz n PRO 53 Ca 0.08 0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1xiz n PRO 53 Cb 0.34 -2.34 0.18 0.00 -0.04 0.00 0.00 33.50 31.65 1xiz n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xiz n THR 54 N -2.54 1.95 -2.63 0.52 -2.24 -1.25 -4.13 114.28 103.95 1xiz n THR 54 Ca 0.14 -2.92 -0.41 0.00 -2.27 0.00 0.00 64.05 58.59 1xiz n THR 54 Cb 0.49 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1xiz n THR 54 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xiz s GLY 55 N -3.07 2.95 -0.27 3.38 0.00 -0.51 -1.95 107.32 107.86 1xiz s GLY 55 Ca 0.37 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1xiz s GLY 55 CO -0.07 1.51 -0.07 1.08 0.00 0.00 0.00 173.10 175.55 1xiz s LEU 56 N -0.35 3.45 0.00 0.66 1.43 0.82 -0.46 118.68 124.23 1xiz s LEU 56 Ca 0.47 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1xiz s LEU 56 Cb -0.27 -1.63 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 1xiz s LEU 56 CO 0.33 -0.19 2.27 -0.81 0.23 0.00 0.00 176.35 178.18 1xiz n PRO 57 N 4.56 1.18 -2.64 1.29 -0.04 -1.26 -2.56 135.00 135.52 1xiz n PRO 57 Ca -0.15 -0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 62.53 1xiz n PRO 57 Cb 0.44 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1xiz n PRO 57 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xiz s VAL 58 N 1.24 4.55 0.00 0.52 -7.23 -1.26 -5.03 120.40 113.20 1xiz s VAL 58 Ca 0.31 1.16 0.02 0.00 -1.81 0.00 0.00 61.98 61.66 1xiz s VAL 58 Cb 0.15 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1xiz s VAL 58 CO 0.00 -0.53 0.01 -1.61 -0.31 0.00 0.00 175.10 172.66 1xiz s GLU 59 N -3.72 2.80 0.00 4.82 0.41 -1.26 -3.52 118.70 118.23 1xiz s GLU 59 Ca 0.58 -0.62 0.24 0.00 -0.41 0.00 0.00 54.97 54.76 1xiz s GLU 59 Cb -0.10 -2.68 0.28 0.00 -1.78 0.00 0.00 34.13 29.86 1xiz s GLU 59 CO 0.26 0.62 1.26 -0.35 -0.49 0.00 0.00 175.26 176.56 1xiz n PRO 60 N 1.32 0.67 -3.54 0.39 -0.04 -1.26 -4.91 135.00 127.64 1xiz n PRO 60 Ca -0.14 -0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 1xiz n PRO 60 Cb 0.53 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1xiz n PRO 60 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xiz s VAL 61 N -2.67 4.96 0.38 0.52 0.11 -1.25 -5.06 120.40 117.39 1xiz s VAL 61 Ca 0.17 -0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 58.30 1xiz s VAL 61 Cb 0.18 -3.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.22 1xiz s VAL 61 CO 0.63 -0.21 1.29 -0.83 -3.33 0.00 0.00 175.10 172.65 1xiz s GLY 62 N 1.63 2.94 0.16 6.54 0.00 -1.23 -4.60 107.32 112.77 1xiz s GLY 62 Ca 0.04 1.21 0.08 0.00 0.00 0.00 0.00 44.72 46.05 1xiz s GLY 62 CO 0.09 1.81 -0.16 0.14 0.00 0.00 0.00 173.10 174.97 1xiz s VAL 63 N -1.24 1.66 0.01 1.40 1.01 -1.06 -1.31 120.40 120.87 1xiz s VAL 63 Ca 0.54 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1xiz s VAL 63 Cb -0.38 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1xiz s VAL 63 CO 0.49 -0.42 -0.02 0.00 0.00 0.00 0.00 175.10 175.15 1xiz s ALA 64 N -2.33 0.13 -0.51 5.51 0.00 -1.03 -0.12 121.76 123.40 1xiz s ALA 64 Ca 0.16 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.86 1xiz s ALA 64 Cb -0.04 0.06 0.30 0.00 0.00 0.00 0.00 23.12 23.44 1xiz s ALA 64 CO 0.06 -0.06 0.78 -0.89 0.00 0.00 0.00 175.76 175.64 1xiz n ILE 65 N 2.32 1.52 -1.89 0.00 -0.00 -0.82 -1.09 119.36 119.40 1xiz n ILE 65 Ca -0.18 -5.00 -0.39 0.00 -0.00 0.00 0.00 62.75 57.18 1xiz n ILE 65 Cb 0.57 -1.41 0.02 0.00 -0.00 0.00 0.00 39.64 38.83 1xiz n ILE 65 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1xiz s PRO 66 N -2.60 3.43 0.26 0.38 0.04 -1.25 -4.72 135.00 130.54 1xiz s PRO 66 Ca 0.42 2.19 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 1xiz s PRO 66 Cb 0.24 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1xiz s PRO 66 CO -0.09 -0.94 0.93 -3.38 0.04 0.00 0.00 177.00 173.56 1xiz s HIS 67 N -1.32 0.07 0.00 0.56 -3.43 -1.26 -1.66 115.29 108.25 1xiz s HIS 67 Ca 0.67 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 1xiz s HIS 67 Cb -0.39 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1xiz s HIS 67 CO 0.48 -1.17 0.00 -2.37 -2.00 0.00 0.00 174.74 169.67 1xiz n THR 68 N -0.61 0.00 -2.03 -5.38 5.66 -1.26 -4.62 114.28 106.04 1xiz n THR 68 Ca -0.05 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.57 1xiz n THR 68 Cb 0.60 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.39 1xiz n THR 68 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xiz s ASP 69 N -0.53 5.68 0.00 1.09 2.15 -1.26 -4.90 116.67 118.91 1xiz s ASP 69 Ca 0.00 2.51 0.15 0.00 0.43 0.00 0.00 52.55 55.64 1xiz s ASP 69 Cb 0.00 -2.62 0.65 0.00 -0.30 0.00 0.00 42.92 40.65 1xiz s ASP 69 CO 0.00 -1.27 1.46 0.00 -0.17 0.00 0.00 175.17 175.19 1xiz n HIS 70 N -0.84 0.00 0.40 -5.34 1.44 -1.26 -2.27 115.22 107.35 1xiz n HIS 70 Ca 0.09 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 1xiz n HIS 70 Cb 0.47 -0.46 0.51 0.00 0.12 0.00 0.00 29.99 30.63 1xiz n HIS 70 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 1xiz h LYS 71 N 0.00 0.00 -0.27 -1.40 2.10 -1.87 -2.44 116.57 112.68 1xiz h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xiz h LYS 71 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1xiz h LYS 71 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1xiz n TYR 72 N -2.44 0.34 -4.68 0.07 4.01 -0.96 -4.85 117.16 108.65 1xiz n TYR 72 Ca 0.02 -0.17 -0.33 0.00 -0.16 0.00 0.00 57.90 57.26 1xiz n TYR 72 Cb 0.28 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 1xiz n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xiz s VAL 73 N -1.66 2.62 -0.81 -0.72 1.01 -0.92 -1.63 120.40 118.29 1xiz s VAL 73 Ca 0.36 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1xiz s VAL 73 Cb 0.21 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1xiz s VAL 73 CO 0.31 0.53 0.59 -2.11 0.00 0.00 0.00 175.10 174.41 1xiz n ARG 74 N 3.88 2.62 -3.66 2.72 1.85 -0.15 -4.57 116.66 119.34 1xiz n ARG 74 Ca -0.19 -0.34 -0.08 0.00 -1.00 0.00 0.00 57.85 56.24 1xiz n ARG 74 Cb 0.52 -1.09 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 1xiz n ARG 74 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1xiz s GLN 75 N -1.78 0.44 0.27 2.89 0.74 -0.87 -5.00 119.66 116.34 1xiz s GLN 75 Ca 0.07 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.24 1xiz s GLN 75 Cb 0.09 0.29 -0.13 0.00 1.10 0.00 0.00 33.01 34.36 1xiz s GLN 75 CO 0.38 -0.20 1.43 0.09 -0.55 0.00 0.00 175.29 176.43 1xiz n ASN 76 N 4.91 2.98 -3.56 6.67 3.02 -1.26 -4.76 115.26 123.26 1xiz n ASN 76 Ca -0.15 1.15 -0.08 0.00 -0.03 0.00 0.00 54.58 55.47 1xiz n ASN 76 Cb 0.52 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 1xiz n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xiz s ALA 77 N -0.22 -1.71 -0.03 5.41 0.00 -0.25 -1.05 121.76 123.92 1xiz s ALA 77 Ca 0.65 0.65 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1xiz s ALA 77 Cb -0.60 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1xiz s ALA 77 CO 0.51 -0.80 -0.07 0.42 0.00 0.00 0.00 175.76 175.83 1xiz s ILE 78 N -3.34 0.66 -0.15 0.00 1.01 -0.94 -1.15 121.20 117.30 1xiz s ILE 78 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1xiz s ILE 78 Cb -0.01 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1xiz s ILE 78 CO -0.07 0.22 -0.20 -0.55 0.00 0.00 0.00 174.94 174.35 1xiz s SER 79 N 0.38 3.02 -0.11 3.58 0.15 -0.64 -4.73 113.70 115.34 1xiz s SER 79 Ca -0.05 -0.59 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 1xiz s SER 79 Cb -0.10 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1xiz s SER 79 CO 0.00 0.03 0.03 -0.69 1.20 0.00 0.00 173.24 173.82 1xiz s VAL 80 N 1.07 4.57 -0.05 4.45 1.01 0.78 -0.46 120.40 131.76 1xiz s VAL 80 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1xiz s VAL 80 Cb -0.14 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1xiz s VAL 80 CO -0.07 0.58 -0.13 -0.83 0.00 0.00 0.00 175.10 174.65 1xiz s GLY 81 N -0.60 0.77 -0.29 4.51 0.00 -0.02 -2.70 107.32 108.99 1xiz s GLY 81 Ca 0.10 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1xiz s GLY 81 CO 0.02 -0.09 0.06 -0.42 0.00 0.00 0.00 173.10 172.67 1xiz s ILE 82 N 0.34 3.76 0.16 0.90 -1.09 -0.73 -0.68 121.20 123.85 1xiz s ILE 82 Ca -0.08 -0.81 -0.26 0.00 -2.23 0.00 0.00 60.65 57.27 1xiz s ILE 82 Cb -0.12 -2.96 -0.08 0.00 -1.58 0.00 0.00 42.46 37.72 1xiz s ILE 82 CO 0.02 0.06 0.79 -0.76 -1.23 0.00 0.00 174.94 173.83 1xiz s LEU 83 N 1.46 4.58 0.41 2.97 1.43 0.11 -0.82 118.68 128.81 1xiz s LEU 83 Ca 0.02 1.65 0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1xiz s LEU 83 Cb -0.17 -3.32 0.87 0.00 0.03 0.00 0.00 46.19 43.60 1xiz s LEU 83 CO 0.01 0.18 1.93 0.00 0.23 0.00 0.00 176.35 178.70 1xiz h ALA 84 N 4.51 1.57 -2.48 4.21 0.00 -1.68 -3.44 119.26 121.95 1xiz h ALA 84 Ca -0.46 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 1xiz h ALA 84 Cb 1.21 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1xiz h ALA 84 CO 0.67 0.32 -0.52 -1.83 0.00 0.00 0.00 179.25 177.88 1xiz s GLU 85 N -4.55 0.66 0.37 0.00 -1.05 -1.26 -4.95 118.70 107.92 1xiz s GLU 85 Ca -0.04 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 53.58 1xiz s GLU 85 Cb 0.15 0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1xiz s GLU 85 CO 0.71 -0.17 1.36 -1.25 0.95 0.00 0.00 175.26 176.86 1xiz s PRO 86 N -3.26 4.16 -0.04 -4.83 0.04 -1.26 -4.81 135.00 124.99 1xiz s PRO 86 Ca 0.01 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.40 1xiz s PRO 86 Cb 0.03 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1xiz s PRO 86 CO -0.08 -0.38 -0.22 0.08 0.04 0.00 0.00 177.00 176.43 1xiz s VAL 87 N -1.17 1.83 0.07 -0.36 1.01 0.75 -4.82 120.40 117.70 1xiz s VAL 87 Ca 0.53 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 1xiz s VAL 87 Cb -0.41 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 1xiz s VAL 87 CO 0.55 0.51 1.25 0.20 0.00 0.00 0.00 175.10 177.61 1xiz s ASN 88 N -0.22 7.01 0.02 3.32 -0.87 -1.26 -0.21 114.94 122.73 1xiz s ASN 88 Ca -0.00 2.08 0.05 0.00 -1.57 0.00 0.00 52.86 53.42 1xiz s ASN 88 Cb -0.12 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.52 1xiz s ASN 88 CO 0.02 -0.53 -0.16 -0.36 -2.57 0.00 0.00 177.10 173.50 1xiz s PHE 89 N 1.16 1.41 0.48 2.20 0.40 -0.32 -4.92 117.98 118.40 1xiz s PHE 89 Ca 0.60 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 56.40 1xiz s PHE 89 Cb -0.31 -0.87 -0.07 0.00 0.51 0.00 0.00 43.02 42.28 1xiz s PHE 89 CO 0.29 0.02 1.13 -1.21 0.70 0.00 0.00 175.22 176.16 1xiz s GLU 90 N -0.81 3.67 0.04 0.44 2.02 -1.26 0.79 118.70 123.59 1xiz s GLU 90 Ca 0.05 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.40 1xiz s GLU 90 Cb -0.07 -2.27 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1xiz s GLU 90 CO 0.01 -0.60 1.61 0.34 0.02 0.00 0.00 175.26 176.64 1xiz s ASP 91 N -1.55 6.66 0.50 -0.19 -1.08 -1.26 -1.43 116.67 118.31 1xiz s ASP 91 Ca 0.66 2.38 0.17 0.00 -0.52 0.00 0.00 52.55 55.24 1xiz s ASP 91 Cb -0.26 -2.56 1.22 0.00 -1.46 0.00 0.00 42.92 39.86 1xiz s ASP 91 CO 0.30 -0.86 2.07 -0.03 0.52 0.00 0.00 175.17 177.18 1xiz h MET 92 N 8.43 0.13 0.00 4.34 1.85 -0.92 -0.08 114.93 128.67 1xiz h MET 92 Ca -0.41 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 1xiz h MET 92 Cb 1.19 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1xiz h MET 92 CO 0.93 0.08 0.00 0.41 -0.40 0.00 0.00 176.91 177.93 1xiz n GLY 93 N -1.56 -1.26 0.91 1.39 0.00 -1.26 -4.90 105.19 98.51 1xiz n GLY 93 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xiz n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xiz n GLY 94 N 0.96 0.77 3.63 -0.02 0.00 -0.04 -5.05 105.19 105.43 1xiz n GLY 94 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1xiz n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xiz n GLU 95 N -2.00 0.74 -0.10 1.61 -0.58 -1.26 -4.94 120.64 114.11 1xiz n GLU 95 Ca 0.00 0.30 -0.11 0.00 -0.42 0.00 0.00 57.16 56.94 1xiz n GLU 95 Cb 0.00 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 28.61 1xiz n GLU 95 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xiz h PRO 96 N 0.15 0.52 -6.67 3.49 0.13 -1.96 -3.40 132.00 124.27 1xiz h PRO 96 Ca -0.48 -0.15 -0.53 0.00 -0.87 0.00 0.00 66.00 63.97 1xiz h PRO 96 Cb 1.35 -0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1xiz h PRO 96 CO 0.49 0.63 0.73 -0.51 -0.23 0.00 0.00 178.00 179.12 1xiz s ASP 97 N -5.97 6.76 0.80 1.44 1.01 -1.26 -4.95 116.67 114.51 1xiz s ASP 97 Ca -0.13 2.51 -0.12 0.00 0.71 0.00 0.00 52.55 55.52 1xiz s ASP 97 Cb 0.09 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.48 1xiz s ASP 97 CO 0.76 -0.65 1.10 -2.16 0.21 0.00 0.00 175.17 174.42 1xiz s PRO 98 N 0.21 2.04 -0.23 8.23 0.04 -1.26 -4.36 135.00 139.66 1xiz s PRO 98 Ca 0.61 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1xiz s PRO 98 Cb -0.39 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1xiz s PRO 98 CO 0.37 -1.65 0.21 0.08 0.04 0.00 0.00 177.00 176.05 1xiz s VAL 99 N -3.17 5.33 -0.96 -0.36 1.01 0.24 -4.90 120.40 117.58 1xiz s VAL 99 Ca 0.61 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 1xiz s VAL 99 Cb -0.14 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1xiz s VAL 99 CO 0.54 0.33 1.39 -2.16 0.00 0.00 0.00 175.10 175.20 1xiz s PRO 100 N 1.11 3.52 0.21 2.72 0.04 -1.26 -1.18 135.00 140.16 1xiz s PRO 100 Ca 0.10 -1.01 -0.30 0.00 0.04 0.00 0.00 61.00 59.83 1xiz s PRO 100 Cb -0.14 -5.12 -0.08 0.00 0.04 0.00 0.00 34.50 29.20 1xiz s PRO 100 CO 0.05 -2.17 0.95 0.08 0.04 0.00 0.00 177.00 175.96 1xiz s VAL 101 N 4.95 4.16 0.00 -0.36 1.01 0.70 -3.60 120.40 127.27 1xiz s VAL 101 Ca 0.43 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.48 1xiz s VAL 101 Cb -0.02 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1xiz s VAL 101 CO -0.05 0.45 0.00 0.54 0.00 0.00 0.00 175.10 176.03 1xiz n ARG 102 N 1.82 3.51 -5.06 2.72 1.74 -0.43 -0.18 116.66 120.79 1xiz n ARG 102 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1xiz n ARG 102 Cb 0.47 -0.95 -0.17 0.00 -1.02 0.00 0.00 32.46 30.80 1xiz n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xiz s VAL 103 N -1.89 1.81 -0.14 1.55 1.01 -1.04 0.05 120.40 121.76 1xiz s VAL 103 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1xiz s VAL 103 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1xiz s VAL 103 CO 0.00 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1xiz s VAL 104 N 0.35 2.23 -0.57 2.92 1.01 0.15 -2.45 120.40 124.03 1xiz s VAL 104 Ca -0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 1xiz s VAL 104 Cb -0.17 -1.90 0.15 0.00 0.00 0.00 0.00 36.38 34.46 1xiz s VAL 104 CO 0.07 0.54 0.41 -0.36 0.00 0.00 0.00 175.10 175.76 1xiz s PHE 105 N 0.78 3.49 -0.07 5.22 0.08 -0.25 -0.84 117.98 126.39 1xiz s PHE 105 Ca -0.07 -2.41 -0.30 0.00 0.12 0.00 0.00 56.93 54.27 1xiz s PHE 105 Cb -0.16 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.93 1xiz s PHE 105 CO -0.01 -0.92 1.12 1.41 -0.10 0.00 0.00 175.22 176.73 1xiz s MET 106 N 0.49 4.38 -0.21 0.44 -2.45 0.39 -3.84 119.30 118.50 1xiz s MET 106 Ca 0.13 1.56 -0.06 0.00 -1.25 0.00 0.00 55.69 56.07 1xiz s MET 106 Cb -0.21 -3.55 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1xiz s MET 106 CO -0.04 -0.39 0.03 -0.51 1.05 0.00 0.00 175.02 175.16 1xiz s LEU 107 N 2.11 3.40 -0.55 4.11 1.43 -0.66 -1.63 118.68 126.89 1xiz s LEU 107 Ca 0.53 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1xiz s LEU 107 Cb -0.22 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.27 1xiz s LEU 107 CO 0.20 0.07 0.32 0.00 0.23 0.00 0.00 176.35 177.17 1xiz s ALA 108 N 1.00 3.39 -0.20 4.21 0.00 -0.30 -4.43 121.76 125.43 1xiz s ALA 108 Ca 0.03 -3.21 -0.06 0.00 0.00 0.00 0.00 51.96 48.72 1xiz s ALA 108 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1xiz s ALA 108 CO 0.02 -2.03 0.02 -0.51 0.00 0.00 0.00 175.76 173.26 1xiz s LEU 109 N -0.09 3.38 0.00 0.00 1.43 -1.26 -1.09 118.68 121.04 1xiz s LEU 109 Ca 0.16 -0.14 0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1xiz s LEU 109 Cb -0.23 -1.86 1.07 0.00 0.03 0.00 0.00 46.19 45.20 1xiz s LEU 109 CO -0.02 0.08 1.78 0.61 0.23 0.00 0.00 176.35 179.03 1xiz n GLY 110 N 4.11 -1.16 2.85 -3.19 0.00 -1.26 -4.19 105.19 102.35 1xiz n GLY 110 Ca -0.17 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1xiz n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xiz s GLU 111 N -2.73 0.10 0.42 1.61 8.01 -1.26 -4.81 118.70 120.03 1xiz s GLU 111 Ca 0.21 0.03 0.29 0.00 0.01 0.00 0.00 54.97 55.51 1xiz s GLU 111 Cb 0.19 -0.19 1.23 0.00 -4.31 0.00 0.00 34.13 31.05 1xiz s GLU 111 CO 0.54 -0.04 1.87 0.66 0.01 0.00 0.00 175.26 178.30 1xiz h SER 112 N 6.55 0.00 0.38 -0.19 4.64 -1.98 -2.26 113.55 120.69 1xiz h SER 112 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1xiz h SER 112 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xiz h SER 112 CO 0.50 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.00 1xiz n ASN 113 N -2.70 0.00 0.06 4.97 0.23 -1.26 -2.21 115.26 114.36 1xiz n ASN 113 Ca 0.01 0.01 0.12 0.00 -0.53 0.00 0.00 54.58 54.19 1xiz n ASN 113 Cb 0.26 -0.29 0.04 0.00 -2.08 0.00 0.00 39.78 37.71 1xiz n ASN 113 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xiz n LYS 114 N -1.29 0.43 0.10 -3.83 4.01 -0.85 -4.51 118.16 112.21 1xiz n LYS 114 Ca 0.09 0.05 -0.13 0.00 -0.51 0.00 0.00 58.31 57.82 1xiz n LYS 114 Cb 0.16 -1.70 -0.07 0.00 -0.51 0.00 0.00 35.03 32.91 1xiz n LYS 114 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1xiz h GLN 115 N 0.00 -0.18 0.06 1.97 4.20 -1.59 -1.97 115.11 117.61 1xiz h GLN 115 Ca 0.00 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1xiz h GLN 115 Cb 0.85 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 1xiz h GLN 115 CO 0.00 -0.12 -0.31 1.25 -0.67 0.00 0.00 178.83 178.98 1xiz h LEU 116 N -0.18 -0.92 -0.06 1.46 5.85 -1.79 0.20 115.31 119.87 1xiz h LEU 116 Ca -0.01 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1xiz h LEU 116 Cb 0.16 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1xiz h LEU 116 CO 0.00 -0.39 -0.14 -1.13 -0.34 0.00 0.00 178.44 176.44 1xiz h ASN 117 N -0.50 -0.43 -0.82 1.25 -1.24 -1.82 0.10 115.58 112.12 1xiz h ASN 117 Ca 0.04 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1xiz h ASN 117 Cb 0.56 0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.77 1xiz h ASN 117 CO -0.22 -0.20 0.51 0.58 -1.29 0.00 0.00 177.43 176.81 1xiz h VAL 118 N -0.21 1.22 -0.54 2.57 2.07 -1.19 -1.20 116.25 118.97 1xiz h VAL 118 Ca 0.07 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1xiz h VAL 118 Cb 0.31 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1xiz h VAL 118 CO -0.18 0.23 0.18 0.25 0.02 0.00 0.00 177.57 178.06 1xiz h LEU 119 N 1.11 0.78 -1.33 2.57 5.85 -0.61 -0.92 115.31 122.76 1xiz h LEU 119 Ca 0.29 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1xiz h LEU 119 Cb -0.07 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1xiz h LEU 119 CO -0.06 0.77 0.50 1.23 -0.34 0.00 0.00 178.44 180.54 1xiz h GLY 120 N 0.75 1.03 0.78 3.75 0.00 -0.28 0.15 103.07 109.24 1xiz h GLY 120 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1xiz h GLY 120 CO -0.01 0.25 -0.04 -0.25 0.00 0.00 0.00 176.54 176.49 1xiz h TRP 121 N 0.82 0.36 0.52 5.60 7.01 -0.63 -2.43 115.95 127.20 1xiz h TRP 121 Ca 0.32 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 1xiz h TRP 121 Cb 0.22 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1xiz h TRP 121 CO -0.00 0.59 -0.27 0.82 -2.79 0.00 0.00 178.44 176.79 1xiz h ILE 122 N 0.03 0.44 -0.97 2.65 1.08 -0.38 -1.02 117.51 119.34 1xiz h ILE 122 Ca 0.04 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.80 1xiz h ILE 122 Cb 0.48 0.44 -0.15 0.00 -3.07 0.00 0.00 36.82 34.52 1xiz h ILE 122 CO 0.02 0.00 0.47 -0.03 -0.69 0.00 0.00 178.15 177.92 1xiz h MET 123 N -0.74 0.30 0.06 2.37 4.05 -0.75 -0.06 114.93 120.16 1xiz h MET 123 Ca -0.07 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1xiz h MET 123 Cb 0.58 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1xiz h MET 123 CO 0.10 0.20 -0.03 0.22 0.23 0.00 0.00 176.91 177.63 1xiz h ASP 124 N 0.31 -0.07 0.02 1.39 3.58 -0.90 -3.16 116.42 117.59 1xiz h ASP 124 Ca 0.68 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 1xiz h ASP 124 Cb 1.48 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1xiz h ASP 124 CO -0.61 0.38 -0.21 -0.37 -2.88 0.00 0.00 179.24 175.55 1xiz h VAL 125 N -0.53 1.23 0.00 2.25 -1.51 0.17 -2.64 116.25 115.22 1xiz h VAL 125 Ca -0.01 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1xiz h VAL 125 Cb 0.46 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1xiz h VAL 125 CO 0.01 0.34 0.00 2.30 -1.23 0.00 0.00 177.57 178.99 1xiz n ILE 126 N -4.18 0.58 1.02 7.19 -5.35 -0.19 -1.78 119.36 116.65 1xiz n ILE 126 Ca -0.00 0.14 0.11 0.00 -0.27 0.00 0.00 62.75 62.73 1xiz n ILE 126 Cb 0.35 -0.79 0.01 0.00 -1.74 0.00 0.00 39.64 37.46 1xiz n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xiz n GLN 127 N -1.50 0.38 -2.84 6.28 6.02 -1.01 -4.64 117.38 120.08 1xiz n GLN 127 Ca 0.05 -0.30 -0.44 0.00 -0.01 0.00 0.00 57.00 56.31 1xiz n GLN 127 Cb 0.24 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1xiz n GLN 127 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xiz s ASP 128 N -2.83 6.89 0.19 1.08 -1.08 -0.74 -4.88 116.67 115.31 1xiz s ASP 128 Ca 0.12 -2.56 -0.24 0.00 -0.52 0.00 0.00 52.55 49.36 1xiz s ASP 128 Cb 0.17 -2.45 0.10 0.00 -1.46 0.00 0.00 42.92 39.28 1xiz s ASP 128 CO 0.74 -0.96 1.55 -0.08 0.52 0.00 0.00 175.17 176.94 1xiz h GLU 129 N 7.81 -0.06 -0.22 4.34 4.81 -1.82 -0.92 114.58 128.51 1xiz h GLU 129 Ca 0.30 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1xiz h GLU 129 Cb 0.92 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1xiz h GLU 129 CO 1.27 -0.04 0.09 0.22 -0.73 0.00 0.00 179.01 179.82 1xiz h ASP 130 N -0.07 0.11 -0.27 1.04 3.58 -1.95 -0.37 116.42 118.50 1xiz h ASP 130 Ca 0.25 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.77 1xiz h ASP 130 Cb 0.54 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1xiz h ASP 130 CO -0.89 0.09 -0.05 0.15 -2.88 0.00 0.00 179.24 175.67 1xiz h PHE 131 N 0.19 -0.10 -0.91 0.28 3.57 -1.61 -0.70 116.94 117.66 1xiz h PHE 131 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1xiz h PHE 131 Cb 0.05 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1xiz h PHE 131 CO -0.11 -0.09 0.51 0.52 -2.23 0.00 0.00 178.31 176.90 1xiz h MET 132 N 0.02 1.27 -0.60 1.11 2.86 -0.87 -2.58 114.93 116.14 1xiz h MET 132 Ca 0.13 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1xiz h MET 132 Cb 0.19 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1xiz h MET 132 CO -0.26 0.92 0.10 1.96 1.06 0.00 0.00 176.91 180.70 1xiz h GLN 133 N 1.28 0.99 0.00 1.72 4.20 -0.52 -2.58 115.11 120.20 1xiz h GLN 133 Ca 0.32 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1xiz h GLN 133 Cb 0.02 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xiz h GLN 133 CO -0.05 0.93 -0.06 1.96 -0.67 0.00 0.00 178.83 180.94 1xiz h GLN 134 N 0.90 0.00 0.00 1.46 1.08 -0.77 -1.04 115.11 116.73 1xiz h GLN 134 Ca 0.18 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1xiz h GLN 134 Cb 0.42 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1xiz h GLN 134 CO 0.01 0.06 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.79 1xiz h LEU 135 N 0.00 0.00 -0.15 1.46 3.38 -1.09 0.02 115.31 118.93 1xiz h LEU 135 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xiz h LEU 135 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xiz h LEU 135 CO 0.01 0.09 -0.24 0.18 0.09 0.00 0.00 178.44 178.57 1xiz n LEU 136 N -3.45 0.47 -0.04 1.67 4.77 -0.40 -4.26 117.00 115.76 1xiz n LEU 136 Ca -0.01 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1xiz n LEU 136 Cb 0.24 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1xiz n LEU 136 CO 0.28 0.10 -0.75 1.33 -1.33 0.00 0.00 177.39 177.02 1xiz n VAL 137 N -1.20 0.47 -1.76 4.08 0.24 -0.44 -5.06 118.33 114.66 1xiz n VAL 137 Ca 0.10 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.34 61.84 1xiz n VAL 137 Cb 0.32 -0.81 0.05 0.00 -1.47 0.00 0.00 33.84 31.92 1xiz n VAL 137 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1xiz s MET 138 N -2.17 2.83 0.87 7.34 -1.94 -0.14 -5.06 119.30 121.04 1xiz s MET 138 Ca -0.08 1.36 -0.12 0.00 -1.71 0.00 0.00 55.69 55.14 1xiz s MET 138 Cb 0.02 -1.96 0.14 0.00 2.01 0.00 0.00 34.83 35.05 1xiz s MET 138 CO 0.23 -1.23 1.22 0.54 -0.01 0.00 0.00 175.02 175.77 1xiz s ASN 139 N -2.64 3.81 0.23 3.03 2.20 -1.26 -4.74 114.94 115.55 1xiz s ASN 139 Ca 0.66 0.37 -0.07 0.00 -0.94 0.00 0.00 52.86 52.88 1xiz s ASN 139 Cb -0.20 -0.64 0.33 0.00 -2.00 0.00 0.00 41.25 38.75 1xiz s ASN 139 CO 0.42 -2.30 1.78 0.44 -2.94 0.00 0.00 177.10 174.50 1xiz h ASP 140 N -1.26 0.47 -0.78 3.54 3.32 -1.97 -0.43 116.42 119.31 1xiz h ASP 140 Ca -0.44 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1xiz h ASP 140 Cb 1.27 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1xiz h ASP 140 CO 0.48 0.27 0.35 0.44 -1.72 0.00 0.00 179.24 179.06 1xiz h ASP 141 N 0.61 1.05 -0.24 6.45 3.32 -1.94 0.45 116.42 126.11 1xiz h ASP 141 Ca 0.35 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1xiz h ASP 141 Cb 0.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1xiz h ASP 141 CO -0.27 0.91 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.83 1xiz h GLU 142 N 1.12 0.43 -0.63 3.56 5.08 -1.71 -0.06 114.58 122.37 1xiz h GLU 142 Ca 0.27 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1xiz h GLU 142 Cb 0.16 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1xiz h GLU 142 CO -0.03 0.61 0.41 0.82 -1.00 0.00 0.00 179.01 179.82 1xiz h ILE 143 N 0.21 1.15 0.23 3.13 2.04 -0.91 -1.04 117.51 122.32 1xiz h ILE 143 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1xiz h ILE 143 Cb 0.41 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1xiz h ILE 143 CO 0.01 0.15 -0.22 0.22 0.00 0.00 0.00 178.15 178.32 1xiz h TYR 144 N 0.84 -0.58 -0.22 1.37 3.20 -0.70 -0.31 116.97 120.56 1xiz h TYR 144 Ca 0.23 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1xiz h TYR 144 Cb -0.08 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1xiz h TYR 144 CO -0.03 -0.33 -0.02 1.96 -1.64 0.00 0.00 178.16 178.10 1xiz h GLN 145 N -0.48 0.05 -0.38 1.82 1.08 -0.75 0.87 115.11 117.32 1xiz h GLN 145 Ca -0.01 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1xiz h GLN 145 Cb 0.44 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1xiz h GLN 145 CO -0.04 0.03 0.15 0.66 -0.95 0.00 0.00 178.83 178.68 1xiz h SER 146 N 0.05 0.53 -0.16 1.46 4.64 -1.06 -0.74 113.55 118.26 1xiz h SER 146 Ca 0.10 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1xiz h SER 146 Cb 0.14 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xiz h SER 146 CO -0.19 0.55 -0.08 0.40 -0.87 0.00 0.00 176.83 176.64 1xiz h ILE 147 N 0.47 1.31 -0.05 0.95 2.04 -0.94 -0.75 117.51 120.55 1xiz h ILE 147 Ca 0.13 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.89 1xiz h ILE 147 Cb 0.19 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1xiz h ILE 147 CO -0.01 0.34 -0.42 0.22 0.00 0.00 0.00 178.15 178.27 1xiz h TYR 148 N 0.01 -1.20 -0.28 1.37 3.20 -0.74 0.90 116.97 120.23 1xiz h TYR 148 Ca 0.04 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1xiz h TYR 148 Cb 0.56 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 1xiz h TYR 148 CO 0.07 -0.49 -0.16 1.15 -1.64 0.00 0.00 178.16 177.09 1xiz h THR 149 N -0.54 0.53 -0.90 1.81 2.02 -1.11 -0.71 112.91 114.00 1xiz h THR 149 Ca 0.06 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.43 1xiz h THR 149 Cb 0.64 0.53 -0.11 0.00 -1.74 0.00 0.00 68.15 67.48 1xiz h THR 149 CO -0.35 0.00 0.46 -0.09 0.37 0.00 0.00 175.52 175.91 1xiz h ARG 150 N -0.12 0.53 0.60 6.66 9.65 0.04 0.37 114.38 132.11 1xiz h ARG 150 Ca 0.15 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1xiz h ARG 150 Cb 0.35 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1xiz h ARG 150 CO -0.36 0.35 -0.29 0.82 2.80 0.00 0.00 179.97 183.29 1xiz h ILE 151 N 0.55 0.16 0.05 1.20 2.04 0.58 -3.37 117.51 118.72 1xiz h ILE 151 Ca 0.53 -0.38 -0.24 0.00 1.00 0.00 0.00 64.86 65.77 1xiz h ILE 151 Cb 0.90 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1xiz h ILE 151 CO -0.44 0.02 -1.11 0.77 0.00 0.00 0.00 178.15 177.39 1xiz h SER 152 N -1.13 0.18 -0.01 1.72 4.64 -1.07 -3.47 113.55 114.41 1xiz h SER 152 Ca -0.08 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1xiz h SER 152 Cb 0.66 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1xiz h SER 152 CO 0.14 1.15 0.00 1.21 -0.87 0.00 0.00 176.83 178.46