#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ual h HIS 0 N 0.00 0.29 -3.47 7.33 -0.00 -1.60 -3.45 115.15 114.25 1ual h HIS 0 Ca 0.00 -0.16 -0.27 0.00 -0.00 0.00 0.00 60.37 59.94 1ual h HIS 0 Cb 0.00 -0.03 -0.32 0.00 -0.00 0.00 0.00 27.41 27.06 1ual h HIS 0 CO 0.00 0.97 -0.68 1.41 -0.00 0.00 0.00 177.93 179.63 1ual s MET 1 N -3.21 0.02 -0.14 2.45 0.00 -1.15 -4.76 119.30 112.51 1ual s MET 1 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 55.69 55.87 1ual s MET 1 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 34.83 34.75 1ual s MET 1 CO 0.83 -0.13 -0.13 -0.46 0.00 0.00 0.00 175.02 175.13 1ual s TRP 2 N 0.88 2.82 -0.18 4.11 -0.00 -0.34 -1.60 118.94 124.62 1ual s TRP 2 Ca -0.07 -0.68 0.01 0.00 -0.00 0.00 0.00 56.10 55.35 1ual s TRP 2 Cb -0.10 -1.86 0.04 0.00 -0.00 0.00 0.00 33.47 31.55 1ual s TRP 2 CO -0.03 -0.24 -0.11 0.42 -0.00 0.00 0.00 176.95 176.98 1ual s ILE 3 N 0.43 1.58 0.05 5.86 1.01 0.89 -1.74 121.20 129.28 1ual s ILE 3 Ca -0.10 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 1ual s ILE 3 Cb -0.16 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1ual s ILE 3 CO 0.05 0.25 0.51 -0.83 0.00 0.00 0.00 174.94 174.92 1ual s GLY 4 N 1.44 2.58 -0.03 6.18 0.00 0.14 -1.36 107.32 116.26 1ual s GLY 4 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1ual s GLY 4 CO -0.09 0.31 -0.14 0.14 0.00 0.00 0.00 173.10 173.32 1ual s VAL 5 N -1.13 1.17 -0.26 1.40 1.01 0.93 0.42 120.40 123.93 1ual s VAL 5 Ca 0.28 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1ual s VAL 5 Cb -0.18 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1ual s VAL 5 CO 0.17 0.34 0.01 -0.63 0.00 0.00 0.00 175.10 174.99 1ual s ILE 6 N 0.04 3.52 -0.14 2.22 -1.09 -0.01 -0.58 121.20 125.16 1ual s ILE 6 Ca -0.02 -0.74 -0.25 0.00 -2.23 0.00 0.00 60.65 57.41 1ual s ILE 6 Cb -0.10 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 38.09 1ual s ILE 6 CO 0.01 0.20 0.62 -0.55 -1.23 0.00 0.00 174.94 173.98 1ual s SER 7 N 1.44 -0.61 0.07 3.58 0.15 -0.62 -1.12 113.70 116.60 1ual s SER 7 Ca 0.03 0.92 0.24 0.00 0.70 0.00 0.00 55.95 57.83 1ual s SER 7 Cb -0.16 0.88 0.96 0.00 -1.71 0.00 0.00 66.02 65.99 1ual s SER 7 CO -0.01 -0.40 1.75 0.18 1.20 0.00 0.00 173.24 175.96 1ual n LEU 8 N 1.84 0.22 -3.21 3.45 4.77 -1.26 -4.04 117.00 118.76 1ual n LEU 8 Ca -0.17 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 1ual n LEU 8 Cb 0.56 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1ual n LEU 8 CO 0.15 -0.17 -0.14 0.49 -1.33 0.00 0.00 177.39 176.39 1ual n PHE 9 N -1.72 1.20 -0.27 -1.77 3.01 -1.26 -4.96 117.46 111.69 1ual n PHE 9 Ca 0.05 -3.81 0.21 0.00 1.01 0.00 0.00 57.45 54.91 1ual n PHE 9 Cb 0.29 -0.43 0.52 0.00 -0.01 0.00 0.00 39.48 39.85 1ual n PHE 9 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1ual h PRO 10 N 3.71 0.38 0.00 -1.08 0.11 -1.95 -0.91 132.00 132.26 1ual h PRO 10 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1ual h PRO 10 Cb 0.80 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1ual h PRO 10 CO 0.60 0.25 -0.01 0.93 -0.21 0.00 0.00 178.00 179.56 1ual h GLU 11 N 0.39 0.00 -0.08 1.05 5.08 -1.96 -1.57 114.58 117.50 1ual h GLU 11 Ca 0.52 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1ual h GLU 11 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1ual h GLU 11 CO -0.21 0.01 -0.09 0.52 -1.00 0.00 0.00 179.01 178.24 1ual h MET 12 N 0.00 0.11 0.00 2.33 2.86 -1.59 -2.50 114.93 116.14 1ual h MET 12 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ual h MET 12 Cb 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ual h MET 12 CO 0.00 0.21 0.00 1.19 1.06 0.00 0.00 176.91 179.37 1ual n PHE 13 N -4.37 0.00 0.29 -0.22 3.01 -0.59 -1.87 117.46 113.71 1ual n PHE 13 Ca -0.02 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.60 1ual n PHE 13 Cb 0.20 -0.47 0.89 0.00 -0.01 0.00 0.00 39.48 40.09 1ual n PHE 13 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ual h LYS 14 N 0.00 0.00 -0.52 -1.08 1.57 -1.62 -1.11 116.57 113.80 1ual h LYS 14 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1ual h LYS 14 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1ual h LYS 14 CO 0.00 0.05 0.35 0.00 -0.57 0.00 0.00 179.45 179.28 1ual h ALA 15 N 1.95 2.08 0.00 3.86 0.00 -1.59 -0.56 119.26 125.00 1ual h ALA 15 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ual h ALA 15 Cb 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ual h ALA 15 CO 0.01 -0.20 -1.84 0.44 0.00 0.00 0.00 179.25 177.66 1ual n ILE 16 N -4.46 0.57 0.66 0.00 -5.35 -0.57 -4.27 119.36 105.93 1ual n ILE 16 Ca 0.08 -0.49 0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1ual n ILE 16 Cb 0.37 -0.32 0.32 0.00 -1.74 0.00 0.00 39.64 38.27 1ual n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ual n THR 17 N -2.31 0.41 0.23 7.28 -2.24 -0.53 -1.96 114.28 115.16 1ual n THR 17 Ca -0.15 -0.24 0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1ual n THR 17 Cb 0.72 -0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1ual n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ual n GLU 18 N -2.08 1.71 -4.08 -0.78 1.02 -0.24 -4.46 120.64 111.73 1ual n GLU 18 Ca 0.05 -0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 56.51 1ual n GLU 18 Cb 0.42 -0.98 -0.11 0.00 -0.02 0.00 0.00 31.44 30.75 1ual n GLU 18 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ual s PHE 19 N -0.81 0.73 0.00 -0.32 0.40 -1.26 -4.87 117.98 111.85 1ual s PHE 19 Ca 0.05 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1ual s PHE 19 Cb 0.04 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 43.14 1ual s PHE 19 CO 0.12 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.37 1ual n GLY 20 N 1.31 0.51 0.32 4.36 0.00 -1.26 -1.40 105.19 109.04 1ual n GLY 20 Ca -0.22 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 44.96 1ual n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ual h VAL 21 N 0.00 1.10 -0.20 1.61 -1.51 -1.94 -0.85 116.25 114.47 1ual h VAL 21 Ca 0.00 -0.22 -0.15 0.00 -1.23 0.00 0.00 66.70 65.10 1ual h VAL 21 Cb 0.00 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1ual h VAL 21 CO 0.00 0.12 -0.49 0.71 -1.23 0.00 0.00 177.57 176.67 1ual h THR 22 N 0.64 1.32 -0.61 7.19 1.35 -1.79 -0.94 112.91 120.07 1ual h THR 22 Ca 0.19 -1.72 -0.10 0.00 -0.55 0.00 0.00 66.41 64.24 1ual h THR 22 Cb -0.01 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1ual h THR 22 CO -0.05 0.53 -0.00 1.23 -0.25 0.00 0.00 175.52 176.99 1ual h GLY 23 N 1.09 1.17 0.97 5.82 0.00 -0.26 -1.67 103.07 110.18 1ual h GLY 23 Ca 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1ual h GLY 23 CO 0.09 0.79 0.14 -0.09 0.00 0.00 0.00 176.54 177.48 1ual h ARG 24 N 0.98 0.78 -0.83 4.80 9.65 -1.02 -1.49 114.38 127.25 1ual h ARG 24 Ca 0.17 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1ual h ARG 24 Cb 0.57 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.99 1ual h ARG 24 CO 0.03 0.74 0.55 0.00 2.80 0.00 0.00 179.97 184.09 1ual h ALA 25 N 1.01 1.48 -0.06 2.80 0.00 -0.85 -0.00 119.26 123.63 1ual h ALA 25 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ual h ALA 25 Cb 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ual h ALA 25 CO -0.00 0.44 -0.09 0.28 0.00 0.00 0.00 179.25 179.88 1ual h VAL 26 N 1.05 1.40 -0.11 0.00 2.07 -1.00 0.10 116.25 119.75 1ual h VAL 26 Ca 0.33 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1ual h VAL 26 Cb 0.01 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1ual h VAL 26 CO -0.09 0.37 0.03 0.11 0.02 0.00 0.00 177.57 178.00 1ual h LYS 27 N -0.30 0.15 -0.30 1.57 1.57 -0.94 -1.44 116.57 116.88 1ual h LYS 27 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ual h LYS 27 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ual h LYS 27 CO 0.02 0.15 0.00 0.72 -0.57 0.00 0.00 179.45 179.77 1ual n HIS 28 N -4.47 0.39 -1.95 -1.35 8.25 -0.04 -4.94 115.22 111.11 1ual n HIS 28 Ca -0.01 -0.20 -0.17 0.00 -0.26 0.00 0.00 57.72 57.09 1ual n HIS 28 Cb 0.12 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 1ual n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ual n ASN 29 N 0.55 -4.98 0.04 0.41 3.02 -0.54 -4.86 115.26 108.89 1ual n ASN 29 Ca 0.15 0.18 -0.03 0.00 -0.03 0.00 0.00 54.58 54.85 1ual n ASN 29 Cb 0.34 -4.03 -0.08 0.00 -0.61 0.00 0.00 39.78 35.40 1ual n ASN 29 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ual h LEU 30 N 0.00 0.00 -7.98 3.41 3.38 -1.04 -3.28 115.31 109.80 1ual h LEU 30 Ca -0.37 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.18 1ual h LEU 30 Cb 1.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.65 1ual h LEU 30 CO 0.48 0.73 -0.78 -0.22 0.09 0.00 0.00 178.44 178.74 1ual s LEU 31 N -6.12 1.84 -0.10 1.67 2.96 -1.03 -2.20 118.68 115.70 1ual s LEU 31 Ca -0.01 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1ual s LEU 31 Cb 0.08 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1ual s LEU 31 CO 0.80 0.07 -0.16 -0.75 -1.32 0.00 0.00 176.35 175.00 1ual s LYS 32 N 0.10 2.21 -0.22 1.98 2.36 -0.63 -4.12 119.74 121.42 1ual s LYS 32 Ca -0.01 -0.57 0.02 0.00 -2.55 0.00 0.00 55.97 52.85 1ual s LYS 32 Cb -0.07 -1.84 0.04 0.00 -1.05 0.00 0.00 37.83 34.91 1ual s LYS 32 CO 0.00 -0.02 -0.13 0.08 1.55 0.00 0.00 175.35 176.83 1ual s VAL 33 N 0.85 1.98 -0.11 4.02 1.01 -1.26 -0.08 120.40 126.81 1ual s VAL 33 Ca -0.10 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1ual s VAL 33 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1ual s VAL 33 CO 0.01 0.18 -0.19 -0.70 0.00 0.00 0.00 175.10 174.39 1ual s GLU 34 N 1.24 3.20 0.08 2.72 2.12 -0.47 -5.01 118.70 122.59 1ual s GLU 34 Ca -0.03 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 54.57 1ual s GLU 34 Cb -0.17 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1ual s GLU 34 CO -0.08 0.19 -0.08 0.00 -0.54 0.00 0.00 175.26 174.75 1ual s TRP 36 N -1.18 1.21 -0.25 0.00 0.51 0.25 -4.94 118.94 114.54 1ual s TRP 36 Ca 0.21 -0.40 -0.07 0.00 -2.12 0.00 0.00 56.10 53.73 1ual s TRP 36 Cb -0.11 -0.90 -0.02 0.00 -0.81 0.00 0.00 33.47 31.63 1ual s TRP 36 CO 0.13 -0.22 0.05 1.21 -0.51 0.00 0.00 176.95 177.62 1ual s ASN 37 N 0.59 4.98 0.48 2.95 3.84 -1.26 -1.60 114.94 124.94 1ual s ASN 37 Ca -0.11 -0.34 0.27 0.00 0.21 0.00 0.00 52.86 52.89 1ual s ASN 37 Cb -0.14 -1.88 1.34 0.00 -0.55 0.00 0.00 41.25 40.02 1ual s ASN 37 CO 0.02 -0.06 1.83 -0.65 -2.79 0.00 0.00 177.10 175.45 1ual h PRO 38 N 8.22 0.16 -0.28 0.43 0.11 -1.83 0.89 132.00 139.71 1ual h PRO 38 Ca -0.38 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.78 1ual h PRO 38 Cb 1.16 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ual h PRO 38 CO 0.59 0.11 0.19 -0.09 -0.21 0.00 0.00 178.00 178.59 1ual h ARG 39 N 0.16 0.10 0.00 1.05 2.43 -1.90 0.76 114.38 116.99 1ual h ARG 39 Ca 0.52 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1ual h ARG 39 Cb 1.74 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1ual h ARG 39 CO -0.11 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.17 1ual n ASP 40 N -4.48 0.41 -1.07 -3.80 10.43 0.31 -2.64 116.55 115.71 1ual n ASP 40 Ca 0.03 0.59 0.09 0.00 2.57 0.00 0.00 54.79 58.07 1ual n ASP 40 Cb 0.28 -0.68 0.26 0.00 1.84 0.00 0.00 41.12 42.82 1ual n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ual n PHE 41 N -1.94 0.81 -2.65 1.24 3.01 0.26 -4.98 117.46 113.21 1ual n PHE 41 Ca 0.03 -0.52 -0.28 0.00 1.01 0.00 0.00 57.45 57.70 1ual n PHE 41 Cb 0.24 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.67 1ual n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ual s THR 42 N -1.11 4.89 0.00 4.37 -4.23 -1.08 -4.60 115.64 113.87 1ual s THR 42 Ca 0.39 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1ual s THR 42 Cb 0.21 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1ual s THR 42 CO 0.25 -0.81 0.00 0.49 -0.54 0.00 0.00 174.62 174.01 1ual n PHE 43 N -2.13 0.00 -1.83 3.99 3.01 -1.26 -4.98 117.46 114.26 1ual n PHE 43 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 1ual n PHE 43 Cb 0.55 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.04 1ual n PHE 43 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1ual s ASP 44 N -1.02 5.98 0.31 4.37 -4.77 -1.26 -4.95 116.67 115.33 1ual s ASP 44 Ca 0.00 1.51 0.07 0.00 -3.30 0.00 0.00 52.55 50.84 1ual s ASP 44 Cb 0.00 -2.48 0.80 0.00 -1.09 0.00 0.00 42.92 40.14 1ual s ASP 44 CO 0.00 -1.04 1.75 0.50 0.70 0.00 0.00 175.17 177.09 1ual h LYS 45 N -0.30 0.66 -0.64 2.11 3.64 -2.02 -1.64 116.57 118.38 1ual h LYS 45 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ual h LYS 45 Cb 1.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1ual h LYS 45 CO 0.60 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.94 1ual n HIS 46 N -4.82 1.11 -3.89 1.91 8.25 -1.26 -4.97 115.22 111.55 1ual n HIS 46 Ca 0.25 -0.48 -0.39 0.00 -0.26 0.00 0.00 57.72 56.84 1ual n HIS 46 Cb 0.65 -0.13 0.03 0.00 1.12 0.00 0.00 29.99 31.66 1ual n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ual n LYS 47 N 1.13 -0.81 -2.34 -0.41 5.02 -0.62 -4.87 118.16 115.26 1ual n LYS 47 Ca 0.22 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 1ual n LYS 47 Cb 0.68 -3.36 -0.03 0.00 -0.02 0.00 0.00 35.03 32.30 1ual n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ual s THR 48 N -3.52 3.87 -0.38 -0.18 2.01 -1.26 -4.93 115.64 111.25 1ual s THR 48 Ca 0.47 1.31 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1ual s THR 48 Cb -0.21 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.49 1ual s THR 48 CO 0.92 0.06 0.68 1.33 -0.69 0.00 0.00 174.62 176.91 1ual n VAL 49 N 4.22 0.16 -4.64 3.82 0.24 -1.26 -4.91 118.33 115.95 1ual n VAL 49 Ca 0.11 -0.58 -0.29 0.00 -2.04 0.00 0.00 64.34 61.54 1ual n VAL 49 Cb 0.45 0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 33.69 1ual n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1ual s ASP 50 N -0.38 3.89 0.20 -1.34 -4.77 -1.26 -0.46 116.67 112.54 1ual s ASP 50 Ca 0.04 -1.41 -0.21 0.00 -3.30 0.00 0.00 52.55 47.67 1ual s ASP 50 Cb 0.03 -0.26 0.04 0.00 -1.09 0.00 0.00 42.92 41.64 1ual s ASP 50 CO 0.04 -0.51 0.61 -0.62 0.70 0.00 0.00 175.17 175.39 1ual s ASP 51 N -3.73 -0.40 0.20 2.11 -1.08 0.20 -4.42 116.67 109.55 1ual s ASP 51 Ca 0.31 -0.29 -0.30 0.00 -0.52 0.00 0.00 52.55 51.74 1ual s ASP 51 Cb 0.09 0.63 -0.08 0.00 -1.46 0.00 0.00 42.92 42.10 1ual s ASP 51 CO 0.16 -1.10 1.01 -0.13 0.52 0.00 0.00 175.17 175.63 1ual s ARG 52 N -3.83 4.72 0.21 4.34 3.00 -1.26 -1.28 118.95 124.86 1ual s ARG 52 Ca 0.06 1.58 -0.30 0.00 0.00 0.00 0.00 55.73 57.07 1ual s ARG 52 Cb -0.02 -3.29 -0.08 0.00 0.00 0.00 0.00 34.95 31.55 1ual s ARG 52 CO -0.05 0.29 0.97 -1.25 0.00 0.00 0.00 175.30 175.26 1ual s PRO 53 N -0.73 4.79 0.39 3.54 0.04 -1.26 -4.89 135.00 136.87 1ual s PRO 53 Ca 0.45 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1ual s PRO 53 Cb -0.27 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1ual s PRO 53 CO 0.33 0.40 1.24 0.71 0.04 0.00 0.00 177.00 179.72 1ual s TYR 54 N -0.85 2.99 0.00 0.56 2.02 -1.26 -2.70 117.35 118.11 1ual s TYR 54 Ca 0.43 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 1ual s TYR 54 Cb -0.26 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 1ual s TYR 54 CO 0.32 -1.68 0.00 0.41 -1.57 0.00 0.00 175.55 173.04 1ual n GLY 55 N 0.71 0.52 7.00 0.71 0.00 -1.26 -4.94 105.19 107.92 1ual n GLY 55 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ual n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ual n GLY 56 N -2.00 0.32 0.00 -0.02 0.00 -1.10 -5.06 105.19 97.34 1ual n GLY 56 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1ual n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ual n GLY 57 N 0.00 -2.43 3.70 -0.02 0.00 -1.26 -4.75 105.19 100.43 1ual n GLY 57 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1ual n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ual s PRO 58 N -3.98 1.36 0.00 1.61 0.04 -1.26 -4.90 135.00 127.88 1ual s PRO 58 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ual s PRO 58 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ual s PRO 58 CO 0.00 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1ual n GLY 59 N -0.43 0.23 3.63 0.56 0.00 -1.26 -5.04 105.19 102.88 1ual n GLY 59 Ca 0.10 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1ual n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ual s MET 60 N -2.82 2.01 0.22 1.61 -1.94 -1.26 -4.49 119.30 112.62 1ual s MET 60 Ca 0.00 -2.22 0.03 0.00 -1.71 0.00 0.00 55.69 51.79 1ual s MET 60 Cb 0.00 -1.27 -0.05 0.00 2.01 0.00 0.00 34.83 35.52 1ual s MET 60 CO 0.00 -0.29 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.20 1ual s LEU 61 N -3.73 2.20 0.28 -0.03 1.43 -0.40 -1.18 118.68 117.26 1ual s LEU 61 Ca 0.20 -1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 51.81 1ual s LEU 61 Cb 0.05 -0.25 -0.10 0.00 0.03 0.00 0.00 46.19 45.92 1ual s LEU 61 CO 0.11 -0.51 1.38 -0.04 0.23 0.00 0.00 176.35 177.52 1ual s MET 62 N -3.86 4.30 0.23 1.70 -1.94 -0.61 -0.63 119.30 118.49 1ual s MET 62 Ca 0.27 2.26 -0.30 0.00 -1.71 0.00 0.00 55.69 56.21 1ual s MET 62 Cb 0.05 -3.09 -0.09 0.00 2.01 0.00 0.00 34.83 33.71 1ual s MET 62 CO 0.07 -0.32 1.33 1.41 -0.01 0.00 0.00 175.02 177.50 1ual s MET 63 N -1.00 4.37 0.05 2.03 1.75 0.39 -4.62 119.30 122.27 1ual s MET 63 Ca 0.55 2.12 -0.33 0.00 -1.25 0.00 0.00 55.69 56.78 1ual s MET 63 Cb -0.41 -3.16 -0.19 0.00 2.84 0.00 0.00 34.83 33.92 1ual s MET 63 CO 0.48 -0.27 1.49 0.28 -0.65 0.00 0.00 175.02 176.35 1ual h VAL 64 N 3.59 0.23 -0.29 10.11 2.07 -1.92 -3.14 116.25 126.91 1ual h VAL 64 Ca -0.46 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1ual h VAL 64 Cb 1.22 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1ual h VAL 64 CO 0.76 0.01 -0.18 -0.61 0.02 0.00 0.00 177.57 177.57 1ual h GLN 65 N -1.07 -0.14 -0.82 1.57 -0.00 -1.98 0.33 115.11 113.00 1ual h GLN 65 Ca -0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 1ual h GLN 65 Cb 0.77 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 28.25 1ual h GLN 65 CO 0.17 -0.10 0.35 -1.35 0.00 0.00 0.00 178.83 177.90 1ual h PRO 66 N -0.15 1.20 -0.20 -2.39 0.11 -1.81 -0.69 132.00 128.07 1ual h PRO 66 Ca 0.15 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1ual h PRO 66 Cb 0.38 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1ual h PRO 66 CO -0.38 0.96 -0.08 1.25 -0.21 0.00 0.00 178.00 179.53 1ual h LEU 67 N 1.18 0.42 -0.45 2.35 5.85 -1.40 -1.82 115.31 121.44 1ual h LEU 67 Ca 0.28 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ual h LEU 67 Cb 0.18 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1ual h LEU 67 CO -0.03 0.73 0.30 -0.09 -0.34 0.00 0.00 178.44 179.01 1ual h ARG 68 N 0.12 0.59 -0.51 1.25 2.43 -0.23 -0.93 114.38 117.10 1ual h ARG 68 Ca 0.05 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1ual h ARG 68 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1ual h ARG 68 CO 0.03 0.39 0.06 -0.44 -1.51 0.00 0.00 179.97 178.50 1ual h ASP 69 N 0.61 0.78 -0.49 -3.80 3.32 -1.11 -0.95 116.42 114.78 1ual h ASP 69 Ca 0.17 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ual h ASP 69 Cb -0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1ual h ASP 69 CO -0.04 0.81 0.09 0.00 -1.72 0.00 0.00 179.24 178.38 1ual h ALA 70 N 1.29 0.65 -0.56 3.45 0.00 -0.87 -2.00 119.26 121.22 1ual h ALA 70 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ual h ALA 70 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ual h ALA 70 CO 0.01 0.37 0.25 0.82 0.00 0.00 0.00 179.25 180.70 1ual h ILE 71 N 0.68 1.21 -0.84 0.00 2.04 -0.81 -1.95 117.51 117.83 1ual h ILE 71 Ca 0.15 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1ual h ILE 71 Cb 0.38 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1ual h ILE 71 CO 0.01 0.24 0.48 0.45 0.00 0.00 0.00 178.15 179.33 1ual h HIS 72 N 0.75 1.13 -0.41 1.37 3.86 -0.99 -0.87 115.15 119.99 1ual h HIS 72 Ca 0.19 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1ual h HIS 72 Cb 0.15 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1ual h HIS 72 CO 0.00 0.77 -0.04 1.15 0.86 0.00 0.00 177.93 180.68 1ual h THR 73 N 1.17 1.27 -0.49 2.45 2.02 -1.09 -1.48 112.91 116.75 1ual h THR 73 Ca 0.30 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1ual h THR 73 Cb -0.01 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1ual h THR 73 CO -0.05 0.37 0.28 0.00 0.37 0.00 0.00 175.52 176.49 1ual h ALA 74 N 0.88 0.63 -0.64 6.16 0.00 -0.97 -1.69 119.26 123.63 1ual h ALA 74 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ual h ALA 74 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ual h ALA 74 CO 0.03 0.14 0.29 0.87 0.00 0.00 0.00 179.25 180.58 1ual h LYS 75 N 0.66 0.91 -0.57 0.00 1.57 -1.01 0.30 116.57 118.41 1ual h LYS 75 Ca 0.18 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1ual h LYS 75 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ual h LYS 75 CO -0.03 0.71 0.02 0.00 -0.57 0.00 0.00 179.45 179.58 1ual h ALA 76 N 1.42 0.95 -0.09 3.86 0.00 -0.81 -0.27 119.26 124.32 1ual h ALA 76 Ca 0.22 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1ual h ALA 76 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ual h ALA 76 CO -0.03 0.64 -0.72 0.00 0.00 0.00 0.00 179.25 179.14 1ual h ALA 77 N 1.11 0.58 -0.03 0.00 0.00 -0.78 -3.22 119.26 116.92 1ual h ALA 77 Ca 0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1ual h ALA 77 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ual h ALA 77 CO 0.02 0.75 -0.77 0.00 0.00 0.00 0.00 179.25 179.25 1ual h ALA 78 N 0.90 0.65 0.00 0.00 0.00 -0.76 -3.50 119.26 116.56 1ual h ALA 78 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ual h ALA 78 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ual h ALA 78 CO 0.13 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1ual n GLY 79 N 0.63 -1.54 3.80 0.00 0.00 -0.13 -4.77 105.19 103.18 1ual n GLY 79 Ca -0.03 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1ual n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ual s GLU 80 N 0.00 4.40 0.00 1.61 8.01 -1.26 -4.01 118.70 127.45 1ual s GLU 80 Ca 0.00 1.19 0.00 0.00 0.01 0.00 0.00 54.97 56.17 1ual s GLU 80 Cb 0.00 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 1ual s GLU 80 CO 0.00 0.16 0.00 0.41 0.01 0.00 0.00 175.26 175.84 1ual n GLY 81 N 0.05 0.49 3.63 -1.39 0.00 -1.26 -5.05 105.19 101.64 1ual n GLY 81 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ual n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ual s ALA 82 N -2.20 3.58 -0.03 4.61 0.00 -1.26 -4.67 121.76 121.80 1ual s ALA 82 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1ual s ALA 82 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ual s ALA 82 CO 0.00 -1.06 0.91 0.21 0.00 0.00 0.00 175.76 175.82 1ual s LYS 83 N 2.87 4.51 -0.24 0.00 2.20 -1.17 -4.86 119.74 123.05 1ual s LYS 83 Ca 0.33 1.28 -0.12 0.00 -0.36 0.00 0.00 55.97 57.09 1ual s LYS 83 Cb -0.15 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1ual s LYS 83 CO 0.10 -0.05 0.23 0.08 -0.36 0.00 0.00 175.35 175.36 1ual s VAL 84 N 1.06 5.30 -0.05 4.02 1.01 -1.26 -1.33 120.40 129.15 1ual s VAL 84 Ca 0.48 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1ual s VAL 84 Cb -0.20 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1ual s VAL 84 CO 0.24 0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.79 1ual s ILE 85 N 1.30 2.34 -0.19 2.22 1.01 0.49 -0.68 121.20 127.68 1ual s ILE 85 Ca 0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1ual s ILE 85 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1ual s ILE 85 CO 0.07 0.58 -0.04 -0.47 0.00 0.00 0.00 174.94 175.07 1ual s TYR 86 N -0.43 2.96 -0.12 3.97 6.04 -0.38 -0.21 117.35 129.18 1ual s TYR 86 Ca 0.05 -0.69 -0.30 0.00 0.04 0.00 0.00 57.07 56.17 1ual s TYR 86 Cb -0.12 -2.04 -0.01 0.00 -1.04 0.00 0.00 41.96 38.74 1ual s TYR 86 CO 0.01 -0.36 1.11 -0.51 -1.54 0.00 0.00 175.55 174.27 1ual s LEU 87 N 1.06 4.22 -0.21 6.97 2.01 -1.07 -1.71 118.68 129.94 1ual s LEU 87 Ca 0.01 1.62 -0.26 0.00 0.01 0.00 0.00 54.13 55.50 1ual s LEU 87 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 46.19 42.57 1ual s LEU 87 CO 0.00 -0.58 0.70 -0.55 1.01 0.00 0.00 176.35 176.94 1ual s SER 88 N 1.36 -0.72 0.06 2.29 0.15 -0.13 -4.67 113.70 112.05 1ual s SER 88 Ca 0.51 1.25 0.14 0.00 0.70 0.00 0.00 55.95 58.55 1ual s SER 88 Cb -0.20 1.22 0.59 0.00 -1.71 0.00 0.00 66.02 65.92 1ual s SER 88 CO 0.16 -0.34 1.43 -0.81 1.20 0.00 0.00 173.24 174.88 1ual n PRO 89 N 2.24 0.04 -0.01 5.44 -0.04 -1.26 -1.12 135.00 140.30 1ual n PRO 89 Ca -0.15 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 1ual n PRO 89 Cb 0.56 -1.59 0.46 0.00 -0.04 0.00 0.00 33.50 32.88 1ual n PRO 89 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ual n GLN 90 N -1.68 1.76 -1.77 0.54 3.00 -1.26 -4.88 117.38 113.10 1ual n GLN 90 Ca 0.02 -1.11 -0.19 0.00 -0.01 0.00 0.00 57.00 55.71 1ual n GLN 90 Cb 0.14 -1.47 0.11 0.00 0.00 0.00 0.00 30.24 29.02 1ual n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ual n GLY 91 N 1.20 -0.16 3.68 1.08 0.00 -0.27 -4.97 105.19 105.74 1ual n GLY 91 Ca 0.18 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1ual n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ual s ARG 92 N -4.67 4.18 -0.01 1.61 3.52 -0.07 -4.13 118.95 119.38 1ual s ARG 92 Ca 0.51 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 58.19 1ual s ARG 92 Cb -0.02 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1ual s ARG 92 CO 0.35 -0.78 1.61 0.21 -0.81 0.00 0.00 175.30 175.88 1ual s LYS 93 N 2.92 4.20 0.31 5.12 2.20 -1.26 -0.87 119.74 132.36 1ual s LYS 93 Ca 0.76 2.19 -0.29 0.00 -0.36 0.00 0.00 55.97 58.27 1ual s LYS 93 Cb -0.40 -3.80 -0.10 0.00 -1.51 0.00 0.00 37.83 32.01 1ual s LYS 93 CO 0.33 -0.77 1.36 -1.17 -0.36 0.00 0.00 175.35 174.74 1ual s LEU 94 N 3.35 4.41 0.25 5.43 2.96 0.91 -4.92 118.68 131.07 1ual s LEU 94 Ca 0.72 2.71 -0.11 0.00 -0.22 0.00 0.00 54.13 57.23 1ual s LEU 94 Cb -0.35 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.69 1ual s LEU 94 CO 0.30 -0.61 0.44 1.51 -1.32 0.00 0.00 176.35 176.68 1ual s ASP 95 N -0.22 -0.02 0.45 3.68 3.84 -1.26 -4.88 116.67 118.26 1ual s ASP 95 Ca 0.52 -1.01 0.18 0.00 -0.00 0.00 0.00 52.55 52.24 1ual s ASP 95 Cb -0.41 0.57 1.13 0.00 -1.38 0.00 0.00 42.92 42.83 1ual s ASP 95 CO 0.51 -1.12 1.94 -0.61 -0.00 0.00 0.00 175.17 175.89 1ual h GLN 96 N 2.29 0.31 -0.41 2.11 5.75 -1.96 0.83 115.11 124.03 1ual h GLN 96 Ca -0.27 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.15 1ual h GLN 96 Cb 1.25 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1ual h GLN 96 CO 0.37 0.21 0.04 0.78 -2.65 0.00 0.00 178.83 177.58 1ual h GLY 97 N 0.32 0.76 1.62 2.39 0.00 -1.96 -1.73 103.07 104.47 1ual h GLY 97 Ca 0.33 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1ual h GLY 97 CO -0.09 0.48 -0.16 -1.33 0.00 0.00 0.00 176.54 175.45 1ual h GLY 98 N 0.54 0.49 0.91 4.60 0.00 -1.31 -2.37 103.07 105.94 1ual h GLY 98 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ual h GLY 98 CO 0.01 0.32 0.06 -2.08 0.00 0.00 0.00 176.54 174.86 1ual h VAL 99 N 0.42 1.11 -0.27 4.60 2.07 -0.57 -0.70 116.25 122.91 1ual h VAL 99 Ca 0.07 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ual h VAL 99 Cb 0.52 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ual h VAL 99 CO 0.03 0.10 0.04 0.71 0.02 0.00 0.00 177.57 178.48 1ual h THR 100 N 0.09 1.14 -0.15 2.57 1.35 -1.13 -0.02 112.91 116.76 1ual h THR 100 Ca 0.04 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.34 1ual h THR 100 Cb 0.10 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1ual h THR 100 CO -0.01 0.18 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.29 1ual h GLU 101 N 0.38 0.32 -0.39 4.72 4.81 -1.09 -3.10 114.58 120.23 1ual h GLU 101 Ca 0.09 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1ual h GLU 101 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1ual h GLU 101 CO -0.00 0.64 0.02 -0.07 -0.73 0.00 0.00 179.01 178.87 1ual h LEU 102 N -0.02 0.57 -0.10 1.64 3.38 -0.67 -2.35 115.31 117.76 1ual h LEU 102 Ca 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ual h LEU 102 Cb 0.55 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ual h LEU 102 CO 0.02 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1ual n ALA 103 N -2.47 1.41 1.08 1.53 0.00 -0.06 -1.88 120.51 120.11 1ual n ALA 103 Ca 0.02 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1ual n ALA 103 Cb 0.25 -1.17 0.64 0.00 0.00 0.00 0.00 19.45 19.18 1ual n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ual n GLN 104 N -1.57 0.10 -3.15 0.00 6.02 -0.88 -4.80 117.38 113.09 1ual n GLN 104 Ca 0.02 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 1ual n GLN 104 Cb 0.11 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 1ual n GLN 104 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ual s ASN 105 N -2.90 7.14 0.06 1.08 0.01 -0.79 -4.97 114.94 114.58 1ual s ASN 105 Ca 0.17 1.36 0.12 0.00 -0.71 0.00 0.00 52.86 53.79 1ual s ASN 105 Cb 0.19 -2.41 -0.18 0.00 0.41 0.00 0.00 41.25 39.26 1ual s ASN 105 CO 0.51 0.19 0.98 1.56 -1.51 0.00 0.00 177.10 178.83 1ual h GLN 106 N 4.84 0.00 -4.40 -0.60 1.08 -1.87 -3.46 115.11 110.71 1ual h GLN 106 Ca -0.47 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.36 1ual h GLN 106 Cb 1.21 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.34 1ual h GLN 106 CO 0.66 0.64 -0.77 0.15 -0.95 0.00 0.00 178.83 178.56 1ual s LYS 107 N -2.72 0.63 0.01 1.46 1.02 -1.26 -1.20 119.74 117.68 1ual s LYS 107 Ca -0.02 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1ual s LYS 107 Cb 0.09 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 1ual s LYS 107 CO 0.81 0.10 0.02 -0.51 -0.92 0.00 0.00 175.35 174.85 1ual s LEU 108 N 0.08 2.00 -0.13 3.17 1.43 -0.71 -3.03 118.68 121.49 1ual s LEU 108 Ca -0.01 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1ual s LEU 108 Cb -0.05 0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.42 1ual s LEU 108 CO -0.00 -0.25 -0.15 -0.63 0.23 0.00 0.00 176.35 175.55 1ual s ILE 109 N -1.10 1.59 -0.23 -0.59 1.01 -0.44 0.25 121.20 121.69 1ual s ILE 109 Ca -0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1ual s ILE 109 Cb -0.07 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ual s ILE 109 CO -0.00 0.46 0.00 -0.76 0.00 0.00 0.00 174.94 174.64 1ual s LEU 110 N 1.20 3.11 -0.27 2.97 1.43 0.17 -0.38 118.68 126.91 1ual s LEU 110 Ca -0.01 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1ual s LEU 110 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1ual s LEU 110 CO -0.06 -0.02 0.35 -0.69 0.23 0.00 0.00 176.35 176.16 1ual s VAL 111 N 1.49 5.19 -0.27 -1.59 1.01 0.71 -0.83 120.40 126.12 1ual s VAL 111 Ca 0.06 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1ual s VAL 111 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1ual s VAL 111 CO -0.00 0.17 0.09 0.00 0.00 0.00 0.00 175.10 175.36 1ual s GLY 113 N 1.62 1.84 0.32 0.00 0.00 -1.26 -4.62 107.32 105.21 1ual s GLY 113 Ca 0.06 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1ual s GLY 113 CO 0.04 -1.11 0.35 0.50 0.00 0.00 0.00 173.10 172.88 1ual s ARG 114 N -4.73 1.76 6.45 2.90 1.81 -1.26 -1.14 118.95 124.73 1ual s ARG 114 Ca 0.58 -1.86 0.00 0.00 -1.72 0.00 0.00 55.73 52.73 1ual s ARG 114 Cb -0.10 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.77 1ual s ARG 114 CO 0.38 -0.68 0.00 0.66 -0.68 0.00 0.00 175.30 174.98 1ual n TYR 115 N -0.56 0.00 1.44 -0.53 4.02 -1.26 -1.99 117.16 118.28 1ual n TYR 115 Ca 0.04 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.07 1ual n TYR 115 Cb 0.62 0.04 0.59 0.00 -0.02 0.00 0.00 39.34 40.57 1ual n TYR 115 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ual n GLU 116 N 13.96 0.85 0.00 -0.72 -0.58 -0.33 -4.95 120.64 128.87 1ual n GLU 116 Ca 0.00 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1ual n GLU 116 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1ual n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ual n GLY 117 N 1.26 0.45 3.39 0.62 0.00 -0.84 -5.03 105.19 105.04 1ual n GLY 117 Ca 0.15 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 1ual n GLY 117 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ual s ILE 118 N -1.26 1.44 0.20 -0.61 -4.36 -1.26 -1.57 121.20 113.78 1ual s ILE 118 Ca 0.00 -2.09 -0.32 0.00 -0.26 0.00 0.00 60.65 57.98 1ual s ILE 118 Cb 0.00 -2.40 -0.12 0.00 1.25 0.00 0.00 42.46 41.19 1ual s ILE 118 CO 0.00 -0.32 1.74 -0.67 0.24 0.00 0.00 174.94 175.92 1ual n ASP 119 N -0.52 4.01 0.04 4.36 2.03 -1.26 -4.88 116.55 120.33 1ual n ASP 119 Ca -0.05 1.05 0.13 0.00 0.52 0.00 0.00 54.79 56.44 1ual n ASP 119 Cb 0.63 -1.57 0.59 0.00 -0.72 0.00 0.00 41.12 40.05 1ual n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ual h GLU 120 N 6.92 0.18 0.00 -0.67 4.57 -2.01 -1.27 114.58 122.30 1ual h GLU 120 Ca -0.43 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 1ual h GLU 120 Cb 1.20 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1ual h GLU 120 CO 0.96 0.12 -0.30 0.00 -1.18 0.00 0.00 179.01 178.61 1ual h ARG 121 N 0.18 0.00 -0.14 1.92 3.08 -2.00 -2.29 114.38 115.13 1ual h ARG 121 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 1ual h ARG 121 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1ual h ARG 121 CO -0.03 0.30 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.56 1ual h LEU 122 N 0.00 0.46 -0.90 3.04 3.38 -1.60 -0.99 115.31 118.70 1ual h LEU 122 Ca -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ual h LEU 122 Cb 0.61 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ual h LEU 122 CO 0.04 0.91 0.23 0.40 0.09 0.00 0.00 178.44 180.10 1ual h ILE 123 N 0.32 1.25 -0.19 1.22 2.04 -1.38 0.22 117.51 120.99 1ual h ILE 123 Ca 0.01 -0.83 -0.20 0.00 1.00 0.00 0.00 64.86 64.84 1ual h ILE 123 Cb 1.05 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1ual h ILE 123 CO 0.09 0.33 -0.67 1.56 0.00 0.00 0.00 178.15 179.46 1ual h GLN 124 N 1.00 0.72 0.00 2.37 4.20 -1.20 -2.73 115.11 119.47 1ual h GLN 124 Ca 0.22 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 1ual h GLN 124 Cb 0.26 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ual h GLN 124 CO -0.01 1.15 -1.27 0.25 -0.67 0.00 0.00 178.83 178.28 1ual n THR 125 N -3.94 0.70 0.00 -0.54 -2.24 -0.40 -4.64 114.28 103.22 1ual n THR 125 Ca -0.05 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1ual n THR 125 Cb 0.69 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1ual n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ual n GLU 126 N -2.68 1.47 -3.57 -0.78 -0.58 0.77 -5.05 120.64 110.21 1ual n GLU 126 Ca -0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 1ual n GLU 126 Cb 0.64 -0.95 -0.06 0.00 -0.57 0.00 0.00 31.44 30.49 1ual n GLU 126 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ual s ILE 127 N -1.85 5.22 -0.18 -3.67 -1.09 -1.03 -4.80 121.20 113.80 1ual s ILE 127 Ca 0.00 0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 1ual s ILE 127 Cb 0.00 -3.63 -0.22 0.00 -1.58 0.00 0.00 42.46 37.03 1ual s ILE 127 CO 0.00 0.52 0.21 0.47 -1.23 0.00 0.00 174.94 174.91 1ual n ASP 128 N 2.48 2.00 -3.91 3.58 8.00 0.14 -4.75 116.55 124.09 1ual n ASP 128 Ca -0.14 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 1ual n ASP 128 Cb 0.53 -0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 40.64 1ual n ASP 128 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ual s GLU 129 N -2.47 0.26 -0.15 -1.24 2.02 -0.91 -5.03 118.70 111.19 1ual s GLU 129 Ca -0.27 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 1ual s GLU 129 Cb 0.07 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 1ual s GLU 129 CO 0.67 -0.05 -0.03 -1.21 0.02 0.00 0.00 175.26 174.66 1ual s GLU 130 N -0.92 3.58 -0.02 1.61 2.02 -1.26 -1.25 118.70 122.45 1ual s GLU 130 Ca -0.10 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.42 1ual s GLU 130 Cb -0.06 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 1ual s GLU 130 CO -0.00 0.32 -0.09 -1.58 0.02 0.00 0.00 175.26 173.93 1ual s TRP 131 N 0.16 0.92 0.07 1.61 0.52 -0.70 -0.89 118.94 120.62 1ual s TRP 131 Ca -0.01 -0.20 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1ual s TRP 131 Cb -0.13 -0.63 -0.04 0.00 -1.15 0.00 0.00 33.47 31.52 1ual s TRP 131 CO 0.02 -0.06 -0.13 0.45 0.02 0.00 0.00 176.95 177.26 1ual s SER 132 N -0.00 4.20 0.00 2.95 0.15 -0.05 -0.95 113.70 119.99 1ual s SER 132 Ca 0.00 -0.37 0.24 0.00 0.70 0.00 0.00 55.95 56.52 1ual s SER 132 Cb -0.06 -0.78 0.27 0.00 -1.71 0.00 0.00 66.02 63.74 1ual s SER 132 CO 0.00 0.22 1.26 2.30 1.20 0.00 0.00 173.24 178.22 1ual n ILE 133 N 1.12 0.00 0.00 6.45 -5.35 -1.26 -0.06 119.36 120.26 1ual n ILE 133 Ca -0.15 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1ual n ILE 133 Cb 0.52 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1ual n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ual n GLY 134 N 1.41 1.65 2.44 3.28 0.00 -1.26 -4.68 105.19 108.02 1ual n GLY 134 Ca 0.09 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1ual n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ual n ASP 135 N 0.00 7.60 -3.71 1.61 8.00 -1.26 -4.79 116.55 124.00 1ual n ASP 135 Ca 0.00 -2.73 -0.10 0.00 0.71 0.00 0.00 54.79 52.67 1ual n ASP 135 Cb 0.00 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 39.51 1ual n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ual s TYR 136 N 1.77 -0.10 -0.15 1.24 -0.85 -1.26 -5.17 117.35 112.84 1ual s TYR 136 Ca 0.62 -0.24 -0.02 0.00 -0.52 0.00 0.00 57.07 56.92 1ual s TYR 136 Cb 0.17 0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 1ual s TYR 136 CO -0.07 -0.77 -0.09 0.08 -1.52 0.00 0.00 175.55 173.18 1ual s VAL 137 N -3.85 3.35 0.40 -3.49 1.01 -1.26 -4.87 120.40 111.69 1ual s VAL 137 Ca 0.07 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1ual s VAL 137 Cb 0.01 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ual s VAL 137 CO -0.07 0.50 0.36 -0.76 0.00 0.00 0.00 175.10 175.12 1ual s LEU 138 N 0.48 3.41 0.22 3.92 1.43 -1.26 -5.03 118.68 121.85 1ual s LEU 138 Ca -0.07 -0.72 0.25 0.00 -1.03 0.00 0.00 54.13 52.56 1ual s LEU 138 Cb -0.15 -2.06 0.90 0.00 0.03 0.00 0.00 46.19 44.91 1ual s LEU 138 CO 0.04 -0.60 1.75 0.35 0.23 0.00 0.00 176.35 178.12 1ual n THR 139 N -1.51 0.69 -3.69 5.49 -2.24 -1.26 -4.91 114.28 106.85 1ual n THR 139 Ca 0.03 -0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1ual n THR 139 Cb 0.62 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 1ual n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ual s GLY 140 N -3.55 -0.29 0.00 3.38 0.00 -1.26 -4.26 107.32 101.35 1ual s GLY 140 Ca 0.08 0.35 0.30 0.00 0.00 0.00 0.00 44.72 45.45 1ual s GLY 140 CO 0.50 0.08 2.04 0.61 0.00 0.00 0.00 173.10 176.33 1ual n GLY 141 N -0.42 -0.82 0.07 0.20 0.00 -0.29 -4.22 105.19 99.72 1ual n GLY 141 Ca -0.07 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1ual n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ual h GLU 142 N 0.59 0.10 -0.65 1.61 3.07 -1.91 0.28 114.58 117.68 1ual h GLU 142 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1ual h GLU 142 Cb 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1ual h GLU 142 CO 0.00 0.31 0.31 -0.07 -1.40 0.00 0.00 179.01 178.16 1ual h LEU 143 N -0.12 0.85 -0.89 1.33 3.38 -2.00 0.16 115.31 118.02 1ual h LEU 143 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ual h LEU 143 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1ual h LEU 143 CO 0.00 0.74 0.42 -0.65 0.09 0.00 0.00 178.44 179.04 1ual h PRO 144 N 0.89 1.21 -0.39 1.13 0.11 -1.76 0.36 132.00 133.56 1ual h PRO 144 Ca 0.22 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1ual h PRO 144 Cb 0.11 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1ual h PRO 144 CO -0.03 0.92 0.08 0.00 -0.21 0.00 0.00 178.00 178.77 1ual h ALA 145 N 1.25 0.52 -0.26 -0.75 0.00 -0.48 -1.25 119.26 118.30 1ual h ALA 145 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1ual h ALA 145 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ual h ALA 145 CO -0.04 0.21 -0.14 0.52 0.00 0.00 0.00 179.25 179.80 1ual h MET 146 N 0.50 0.44 -0.49 0.00 2.86 -0.68 -0.41 114.93 117.15 1ual h MET 146 Ca 0.12 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ual h MET 146 Cb 0.33 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1ual h MET 146 CO 0.00 0.57 0.13 1.15 1.06 0.00 0.00 176.91 179.83 1ual h THR 147 N 0.41 1.23 -0.35 2.22 2.02 -0.60 0.19 112.91 118.03 1ual h THR 147 Ca 0.08 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 1ual h THR 147 Cb 0.48 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1ual h THR 147 CO 0.03 0.29 0.03 0.25 0.37 0.00 0.00 175.52 176.49 1ual h LEU 148 N 0.66 0.58 -0.26 2.58 6.46 -0.78 -1.30 115.31 123.25 1ual h LEU 148 Ca 0.15 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1ual h LEU 148 Cb 0.30 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1ual h LEU 148 CO -0.00 0.72 0.15 0.40 -0.62 0.00 0.00 178.44 179.09 1ual h ILE 149 N 0.42 1.10 -0.27 4.05 2.04 -0.91 -1.54 117.51 122.40 1ual h ILE 149 Ca 0.10 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ual h ILE 149 Cb 0.40 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ual h ILE 149 CO 0.01 0.10 0.17 -0.78 0.00 0.00 0.00 178.15 177.66 1ual h ASP 150 N 0.33 0.29 -0.45 1.72 1.82 -0.88 0.04 116.42 119.29 1ual h ASP 150 Ca 0.09 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1ual h ASP 150 Cb 0.03 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 1ual h ASP 150 CO -0.02 0.21 0.29 0.00 -1.61 0.00 0.00 179.24 178.11 1ual h ALA 151 N 1.10 0.58 -0.04 -0.78 0.00 -1.02 -2.79 119.26 116.31 1ual h ALA 151 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1ual h ALA 151 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ual h ALA 151 CO -0.03 -0.00 -0.63 -0.39 0.00 0.00 0.00 179.25 178.20 1ual h VAL 152 N 0.58 1.42 -0.13 0.00 -1.51 -1.11 -3.14 116.25 112.36 1ual h VAL 152 Ca 0.17 -2.08 0.02 0.00 -1.23 0.00 0.00 66.70 63.59 1ual h VAL 152 Cb -0.04 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1ual h VAL 152 CO -0.06 0.61 0.09 0.00 -1.23 0.00 0.00 177.57 176.98 1ual h ALA 153 N 1.24 2.03 0.00 5.19 0.00 -0.71 -0.78 119.26 126.23 1ual h ALA 153 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ual h ALA 153 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ual h ALA 153 CO 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ual h ARG 154 N 0.08 0.00 -0.04 0.00 3.08 -1.48 -1.36 114.38 114.66 1ual h ARG 154 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ual h ARG 154 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ual h ARG 154 CO -0.01 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.08 1ual n PHE 155 N -2.46 0.02 -2.94 3.04 3.72 -0.30 -4.69 117.46 113.85 1ual n PHE 155 Ca -0.01 -0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1ual n PHE 155 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1ual n PHE 155 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ual s ILE 156 N -1.98 4.91 0.03 4.37 1.01 -0.51 -4.98 121.20 124.04 1ual s ILE 156 Ca 0.30 1.53 -0.36 0.00 0.00 0.00 0.00 60.65 62.13 1ual s ILE 156 Cb 0.20 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.43 1ual s ILE 156 CO 0.31 0.04 1.57 -2.65 0.00 0.00 0.00 174.94 174.21 1ual n PRO 157 N 5.22 1.66 0.00 2.79 -0.02 -1.26 -1.61 135.00 141.78 1ual n PRO 157 Ca 0.03 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1ual n PRO 157 Cb 0.49 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1ual n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ual n GLY 158 N 3.38 2.35 0.07 -1.23 0.00 -1.26 -4.94 105.19 103.56 1ual n GLY 158 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1ual n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ual h VAL 159 N 0.00 1.36 0.00 1.61 2.07 -1.59 -3.49 116.25 116.22 1ual h VAL 159 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1ual h VAL 159 Cb 0.00 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1ual h VAL 159 CO 0.00 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.06 1ual n LEU 160 N -4.82 0.00 0.00 2.57 4.77 -1.26 -4.91 117.00 113.34 1ual n LEU 160 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ual n LEU 160 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ual n LEU 160 CO 0.34 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.20 1ual n SER 170 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -5.19 113.62 113.38 1ual n SER 170 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ual n SER 170 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ual n SER 170 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ual n PHE 171 N 0.00 0.00 -0.10 1.43 3.01 0.41 -4.76 117.46 117.45 1ual n PHE 171 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1ual n PHE 171 Cb 0.00 -0.92 0.15 0.00 -0.01 0.00 0.00 39.48 38.69 1ual n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ual h ALA 172 N 0.00 1.06 -0.16 4.37 0.00 -2.00 -2.62 119.26 119.92 1ual h ALA 172 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ual h ALA 172 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ual h ALA 172 CO 0.00 0.58 0.00 -0.25 0.00 0.00 0.00 179.25 179.58 1ual n ASP 173 N -4.19 2.89 0.00 0.00 8.00 -1.26 -4.93 116.55 117.05 1ual n ASP 173 Ca 0.02 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.92 1ual n ASP 173 Cb 0.33 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1ual n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ual n GLY 174 N -0.51 0.61 3.40 0.44 0.00 -0.99 -5.02 105.19 103.12 1ual n GLY 174 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ual n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ual s LEU 175 N 0.00 2.43 0.68 0.99 1.43 -1.26 -4.75 118.68 118.19 1ual s LEU 175 Ca 0.00 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 1ual s LEU 175 Cb 0.00 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1ual s LEU 175 CO 0.00 0.09 1.08 -0.76 0.23 0.00 0.00 176.35 176.99 1ual s LEU 176 N -2.62 3.28 0.75 1.79 1.43 -1.26 -0.44 118.68 121.60 1ual s LEU 176 Ca 0.19 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1ual s LEU 176 Cb -0.08 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.66 1ual s LEU 176 CO 0.09 -1.57 1.08 -0.62 0.23 0.00 0.00 176.35 175.57 1ual s ASP 177 N -3.09 4.92 0.61 2.29 2.15 -1.26 -4.53 116.67 117.76 1ual s ASP 177 Ca 0.63 1.37 -0.05 0.00 0.43 0.00 0.00 52.55 54.93 1ual s ASP 177 Cb -0.17 -2.16 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1ual s ASP 177 CO 0.47 -1.70 0.90 0.00 -0.17 0.00 0.00 175.17 174.66 1ual s PRO 179 N -5.00 2.71 0.12 0.00 0.02 -1.26 -5.03 135.00 126.56 1ual s PRO 179 Ca 0.56 1.50 0.09 0.00 0.02 0.00 0.00 61.00 63.17 1ual s PRO 179 Cb -0.11 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1ual s PRO 179 CO 0.43 -1.34 -0.22 -1.01 -0.33 0.00 0.00 177.00 174.53 1ual s HIS 180 N -2.20 1.96 0.01 6.54 3.76 -1.26 -5.08 115.29 119.03 1ual s HIS 180 Ca 0.69 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 1ual s HIS 180 Cb -0.23 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 1ual s HIS 180 CO 0.41 0.27 -0.01 0.71 -0.85 0.00 0.00 174.74 175.28 1ual s TYR 181 N -1.27 0.16 0.26 1.40 2.02 -1.26 -5.16 117.35 113.50 1ual s TYR 181 Ca 0.10 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1ual s TYR 181 Cb -0.09 -0.12 -0.00 0.00 -0.40 0.00 0.00 41.96 41.34 1ual s TYR 181 CO 0.05 -0.14 0.31 -2.37 -1.57 0.00 0.00 175.55 171.83 1ual n THR 182 N 2.03 0.00 -1.63 -0.71 5.66 -1.26 -5.14 114.28 113.23 1ual n THR 182 Ca -0.20 -1.53 -0.38 0.00 -3.05 0.00 0.00 64.05 58.88 1ual n THR 182 Cb 0.56 0.86 0.05 0.00 -1.55 0.00 0.00 70.33 70.25 1ual n THR 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ual n ARG 183 N -0.45 1.05 -2.49 1.09 1.74 -1.26 -4.64 116.66 111.71 1ual n ARG 183 Ca 0.03 0.40 -0.24 0.00 -0.77 0.00 0.00 57.85 57.26 1ual n ARG 183 Cb 0.45 -2.19 0.04 0.00 -1.02 0.00 0.00 32.46 29.74 1ual n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ual s PRO 184 N -2.66 2.61 0.35 5.56 0.04 -1.26 -5.07 135.00 134.58 1ual s PRO 184 Ca 0.73 -0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.46 1ual s PRO 184 Cb -0.44 -2.34 0.74 0.00 0.04 0.00 0.00 34.50 32.50 1ual s PRO 184 CO 0.49 -0.81 1.93 0.93 0.04 0.00 0.00 177.00 179.58 1ual h GLU 185 N -0.16 0.75 -4.84 4.56 5.08 -1.94 -3.39 114.58 114.64 1ual h GLU 185 Ca -0.44 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 1ual h GLU 185 Cb 1.29 -0.17 -0.34 0.00 0.50 0.00 0.00 28.75 30.03 1ual h GLU 185 CO 0.58 0.49 -0.84 0.08 -1.00 0.00 0.00 179.01 178.32 1ual s VAL 186 N -5.70 1.58 -0.19 3.13 1.01 -1.26 -2.18 120.40 116.79 1ual s VAL 186 Ca -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1ual s VAL 186 Cb 0.20 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 35.21 1ual s VAL 186 CO 0.78 0.46 -0.04 -0.22 0.00 0.00 0.00 175.10 176.08 1ual s LEU 187 N 0.86 1.78 -1.44 3.92 2.96 0.90 -4.79 118.68 122.87 1ual s LEU 187 Ca -0.09 -0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 1ual s LEU 187 Cb -0.15 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.65 1ual s LEU 187 CO 0.00 -0.22 0.66 -0.62 -1.32 0.00 0.00 176.35 174.85 1ual n GLU 188 N 4.85 -4.22 0.00 1.98 1.02 -1.26 -0.82 120.64 122.19 1ual n GLU 188 Ca -0.11 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1ual n GLU 188 Cb 0.47 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 1ual n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ual n GLY 189 N -1.73 2.85 3.68 0.62 0.00 -1.26 -5.00 105.19 104.35 1ual n GLY 189 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1ual n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ual s LEU 190 N 0.00 4.17 0.36 0.99 1.43 -0.00 -5.08 118.68 120.55 1ual s LEU 190 Ca 0.00 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1ual s LEU 190 Cb 0.00 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1ual s LEU 190 CO 0.00 -0.06 0.56 0.42 0.23 0.00 0.00 176.35 177.49 1ual s THR 191 N 1.22 4.75 0.27 5.49 -4.23 -1.26 -0.07 115.64 121.80 1ual s THR 191 Ca 0.19 -0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 59.86 1ual s THR 191 Cb -0.15 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.87 1ual s THR 191 CO 0.08 -0.45 0.93 -0.69 -0.54 0.00 0.00 174.62 173.95 1ual s VAL 192 N -2.33 4.14 -0.03 2.29 1.01 -0.93 -4.95 120.40 119.60 1ual s VAL 192 Ca 0.42 1.97 -0.35 0.00 0.00 0.00 0.00 61.98 64.02 1ual s VAL 192 Cb -0.10 -4.20 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 1ual s VAL 192 CO 0.35 0.37 1.70 -2.65 0.00 0.00 0.00 175.10 174.87 1ual n PRO 193 N 1.15 1.87 -0.34 2.72 -0.02 -1.26 -4.82 135.00 134.29 1ual n PRO 193 Ca -0.01 0.68 0.26 0.00 -2.02 0.00 0.00 63.50 62.42 1ual n PRO 193 Cb 0.48 -2.45 0.51 0.00 -0.02 0.00 0.00 33.50 32.02 1ual n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ual h PRO 194 N 7.35 0.25 -0.67 0.52 0.11 -1.99 -1.10 132.00 136.46 1ual h PRO 194 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1ual h PRO 194 Cb 1.28 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1ual h PRO 194 CO 0.91 0.17 0.45 -0.24 -0.21 0.00 0.00 178.00 179.07 1ual h VAL 195 N 0.26 1.08 0.00 3.15 3.04 -2.01 -1.72 116.25 120.06 1ual h VAL 195 Ca 0.76 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 1ual h VAL 195 Cb 1.83 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1ual h VAL 195 CO -0.61 0.14 0.00 0.18 -1.01 0.00 0.00 177.57 176.28 1ual n LEU 196 N -4.46 0.59 -0.40 3.16 4.77 -0.42 -2.25 117.00 117.99 1ual n LEU 196 Ca 0.09 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 1ual n LEU 196 Cb 0.14 -0.62 0.17 0.00 -2.33 0.00 0.00 43.42 40.78 1ual n LEU 196 CO 0.35 -0.61 0.62 0.23 -1.33 0.00 0.00 177.39 176.64 1ual n MET 197 N -2.17 2.22 0.08 3.23 2.81 -0.66 -4.56 117.12 118.07 1ual n MET 197 Ca 0.01 -2.49 0.03 0.00 -1.81 0.00 0.00 57.70 53.44 1ual n MET 197 Cb 0.18 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1ual n MET 197 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ual h SER 198 N 0.83 0.00 0.00 7.83 4.64 -1.31 -3.48 113.55 122.06 1ual h SER 198 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ual h SER 198 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ual h SER 198 CO 0.08 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1ual n GLY 199 N 1.31 0.57 3.48 -0.77 0.00 -1.26 -4.97 105.19 103.54 1ual n GLY 199 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1ual n GLY 199 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ual s HIS 200 N -2.17 3.05 0.23 1.61 3.76 -1.26 -4.91 115.29 115.60 1ual s HIS 200 Ca 0.00 -1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 53.39 1ual s HIS 200 Cb 0.00 -4.39 0.32 0.00 1.11 0.00 0.00 32.58 29.62 1ual s HIS 200 CO 0.00 -1.58 1.61 1.25 -0.85 0.00 0.00 174.74 175.18 1ual h HIS 201 N 8.72 -0.34 -0.48 1.40 2.76 -1.95 -0.15 115.15 125.11 1ual h HIS 201 Ca 0.20 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.39 1ual h HIS 201 Cb 0.99 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 1ual h HIS 201 CO 1.19 -0.30 0.12 1.49 -1.30 0.00 0.00 177.93 179.13 1ual h GLU 202 N 0.01 0.76 -0.41 5.26 4.57 -2.00 -1.16 114.58 121.62 1ual h GLU 202 Ca 0.36 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1ual h GLU 202 Cb 0.56 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1ual h GLU 202 CO -0.74 0.74 -0.07 0.93 -1.18 0.00 0.00 179.01 178.70 1ual h GLU 203 N 0.65 0.70 -0.47 1.92 4.39 -1.76 -2.15 114.58 117.85 1ual h GLU 203 Ca 0.15 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1ual h GLU 203 Cb 0.32 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1ual h GLU 203 CO 0.00 0.76 -0.05 0.82 -1.16 0.00 0.00 179.01 179.38 1ual h ILE 204 N 0.64 1.27 -0.47 3.13 2.04 -0.82 -0.55 117.51 122.76 1ual h ILE 204 Ca 0.12 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1ual h ILE 204 Cb 0.50 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1ual h ILE 204 CO 0.03 0.40 0.28 -0.09 0.00 0.00 0.00 178.15 178.76 1ual h ARG 205 N 0.71 0.55 -0.46 2.37 2.43 -0.94 -1.32 114.38 117.73 1ual h ARG 205 Ca 0.13 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1ual h ARG 205 Cb 0.57 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ual h ARG 205 CO 0.03 0.36 -0.11 0.87 -1.51 0.00 0.00 179.97 179.61 1ual h LYS 206 N 0.57 0.83 -0.29 0.20 1.57 -1.22 -2.09 116.57 116.13 1ual h LYS 206 Ca 0.18 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ual h LYS 206 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ual h LYS 206 CO -0.08 0.91 0.17 2.35 -0.57 0.00 0.00 179.45 182.23 1ual h TRP 207 N 0.75 0.38 -0.60 -1.35 7.01 -0.65 0.23 115.95 121.73 1ual h TRP 207 Ca 0.12 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1ual h TRP 207 Cb 0.62 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 1ual h TRP 207 CO 0.03 0.29 0.31 0.00 -2.79 0.00 0.00 178.44 176.28 1ual h ARG 208 N 0.36 0.84 -0.43 2.65 3.08 -1.11 0.54 114.38 120.32 1ual h ARG 208 Ca 0.10 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1ual h ARG 208 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1ual h ARG 208 CO -0.02 0.67 -0.03 1.25 -1.07 0.00 0.00 179.97 180.76 1ual h LEU 209 N 0.81 0.78 -0.69 3.04 5.85 -1.16 -1.35 115.31 122.58 1ual h LEU 209 Ca 0.21 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1ual h LEU 209 Cb 0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1ual h LEU 209 CO -0.03 0.92 0.09 0.50 -0.34 0.00 0.00 178.44 179.58 1ual h LYS 210 N 0.62 1.10 -0.53 1.25 3.64 -0.77 -1.41 116.57 120.46 1ual h LYS 210 Ca 0.12 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1ual h LYS 210 Cb 0.54 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1ual h LYS 210 CO 0.03 1.01 0.23 1.96 -2.27 0.00 0.00 179.45 180.41 1ual h GLN 211 N 1.02 0.77 -0.50 1.90 1.08 -0.73 0.60 115.11 119.26 1ual h GLN 211 Ca 0.20 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ual h GLN 211 Cb 0.46 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1ual h GLN 211 CO 0.02 0.66 0.33 1.03 -0.95 0.00 0.00 178.83 179.91 1ual h SER 212 N 0.71 0.56 -0.29 1.46 0.87 -0.97 0.64 113.55 116.54 1ual h SER 212 Ca 0.18 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1ual h SER 212 Cb 0.16 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1ual h SER 212 CO -0.02 0.41 0.11 -0.07 -0.53 0.00 0.00 176.83 176.73 1ual h LEU 213 N 0.67 0.40 -0.38 2.23 3.38 -0.96 -1.16 115.31 119.49 1ual h LEU 213 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ual h LEU 213 Cb -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ual h LEU 213 CO -0.04 0.47 0.21 -0.61 0.09 0.00 0.00 178.44 178.55 1ual h GLN 214 N 0.31 0.53 -0.71 1.13 4.15 -0.61 -0.91 115.11 119.00 1ual h GLN 214 Ca 0.09 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1ual h GLN 214 Cb 0.20 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1ual h GLN 214 CO -0.01 0.44 0.17 0.00 -1.93 0.00 0.00 178.83 177.50 1ual h ARG 215 N 0.49 1.14 -0.49 1.69 3.08 -0.79 -1.00 114.38 118.50 1ual h ARG 215 Ca 0.13 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1ual h ARG 215 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1ual h ARG 215 CO -0.02 1.01 -0.03 1.15 -1.07 0.00 0.00 179.97 181.00 1ual h THR 216 N 1.08 1.27 -0.33 2.04 2.02 -1.02 -0.01 112.91 117.96 1ual h THR 216 Ca 0.22 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1ual h THR 216 Cb 0.38 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1ual h THR 216 CO 0.00 0.39 0.17 -0.25 0.37 0.00 0.00 175.52 176.21 1ual h TRP 217 N 0.74 0.45 -0.14 3.16 7.01 -0.95 0.18 115.95 126.40 1ual h TRP 217 Ca 0.13 -0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.90 1ual h TRP 217 Cb 0.56 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1ual h TRP 217 CO 0.04 0.37 -0.79 -0.07 -2.79 0.00 0.00 178.44 175.21 1ual h LEU 218 N 0.40 0.91 0.08 0.65 3.38 -1.11 -3.23 115.31 116.39 1ual h LEU 218 Ca 0.11 -0.60 -0.37 0.00 0.09 0.00 0.00 57.88 57.12 1ual h LEU 218 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1ual h LEU 218 CO -0.02 1.40 -2.11 0.54 0.09 0.00 0.00 178.44 178.34 1ual n ARG 219 N -3.92 0.71 -3.18 1.13 1.74 -0.03 -4.72 116.66 108.39 1ual n ARG 219 Ca -0.07 0.25 -0.23 0.00 -0.77 0.00 0.00 57.85 57.03 1ual n ARG 219 Cb 0.75 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 1ual n ARG 219 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ual n ARG 220 N -3.50 1.55 0.13 5.56 5.12 0.60 -4.95 116.66 121.17 1ual n ARG 220 Ca -0.37 -3.81 0.19 0.00 -1.93 0.00 0.00 57.85 51.93 1ual n ARG 220 Cb 1.00 -1.74 0.77 0.00 -1.16 0.00 0.00 32.46 31.34 1ual n ARG 220 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ual h PRO 221 N 3.52 0.00 -0.37 5.56 0.13 -1.47 -1.36 132.00 138.01 1ual h PRO 221 Ca 0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 1ual h PRO 221 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1ual h PRO 221 CO 0.60 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.25 1ual h GLU 222 N 0.00 0.60 -0.12 0.86 3.07 -1.91 -2.55 114.58 114.54 1ual h GLU 222 Ca 0.15 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1ual h GLU 222 Cb 0.77 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1ual h GLU 222 CO -0.00 0.66 -0.04 -0.07 -1.40 0.00 0.00 179.01 178.16 1ual h LEU 223 N 0.56 0.16 -0.27 1.33 3.38 -1.58 -2.89 115.31 116.01 1ual h LEU 223 Ca 0.11 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1ual h LEU 223 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ual h LEU 223 CO 0.02 0.23 -0.56 -0.07 0.09 0.00 0.00 178.44 178.15 1ual h LEU 224 N 0.17 0.96 -0.21 1.67 3.38 -1.54 -3.34 115.31 116.39 1ual h LEU 224 Ca 0.04 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1ual h LEU 224 Cb 0.19 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1ual h LEU 224 CO 0.01 1.33 -0.51 -0.33 0.09 0.00 0.00 178.44 179.02 1ual h GLU 225 N 0.63 -0.49 -1.99 1.13 5.08 -1.46 -1.59 114.58 115.89 1ual h GLU 225 Ca 0.01 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ual h GLU 225 Cb 1.18 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1ual h GLU 225 CO 0.12 -0.33 -0.08 0.41 -1.00 0.00 0.00 179.01 178.13 1ual n GLY 226 N -1.42 2.64 2.95 -3.84 0.00 -1.25 -4.78 105.19 99.49 1ual n GLY 226 Ca -0.05 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1ual n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ual s LEU 227 N -0.03 1.71 -0.61 0.99 2.96 -0.60 -5.09 118.68 118.01 1ual s LEU 227 Ca 0.16 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 1ual s LEU 227 Cb 0.08 -0.40 0.14 0.00 0.50 0.00 0.00 46.19 46.50 1ual s LEU 227 CO -0.00 0.02 0.62 0.00 -1.32 0.00 0.00 176.35 175.67 1ual s ALA 228 N 0.31 3.65 0.39 5.97 0.00 -1.26 -5.03 121.76 125.80 1ual s ALA 228 Ca -0.04 -2.60 -0.25 0.00 0.00 0.00 0.00 51.96 49.07 1ual s ALA 228 Cb -0.08 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1ual s ALA 228 CO -0.00 -2.18 1.11 -0.51 0.00 0.00 0.00 175.76 174.18 1ual s LEU 229 N 1.67 4.20 0.90 0.00 1.43 -1.26 -5.04 118.68 120.58 1ual s LEU 229 Ca 0.09 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 1ual s LEU 229 Cb -0.24 -4.06 0.13 0.00 0.03 0.00 0.00 46.19 42.05 1ual s LEU 229 CO 0.01 -0.56 1.14 0.42 0.23 0.00 0.00 176.35 177.59 1ual s THR 230 N -1.49 2.08 0.21 5.49 -4.23 -1.26 -4.77 115.64 111.67 1ual s THR 230 Ca 0.56 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1ual s THR 230 Cb -0.27 -2.78 0.16 0.00 1.34 0.00 0.00 72.50 70.94 1ual s THR 230 CO 0.34 -0.03 1.88 0.44 -0.54 0.00 0.00 174.62 176.70 1ual h ASP 231 N -1.45 0.85 -0.64 3.99 3.45 -1.99 -0.10 116.42 120.53 1ual h ASP 231 Ca -0.50 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 56.90 1ual h ASP 231 Cb 1.33 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.86 1ual h ASP 231 CO 0.62 0.61 0.24 -0.08 -1.57 0.00 0.00 179.24 179.06 1ual h GLU 232 N 1.00 0.96 -0.75 3.56 4.81 -2.00 -1.39 114.58 120.78 1ual h GLU 232 Ca 0.28 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1ual h GLU 232 Cb -0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1ual h GLU 232 CO -0.07 0.82 0.24 1.96 -0.73 0.00 0.00 179.01 181.23 1ual h GLN 233 N 0.90 1.16 -0.80 1.92 4.20 -1.80 -0.87 115.11 119.81 1ual h GLN 233 Ca 0.21 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1ual h GLN 233 Cb 0.23 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1ual h GLN 233 CO -0.01 0.98 0.34 0.00 -0.67 0.00 0.00 178.83 179.46 1ual h ARG 234 N 1.11 1.19 0.01 1.46 3.08 -0.67 -1.18 114.38 119.37 1ual h ARG 234 Ca 0.24 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ual h ARG 234 Cb 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ual h ARG 234 CO -0.01 0.95 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.62 1ual h LYS 235 N 1.16 -0.01 -0.63 0.04 3.64 -0.86 -1.87 116.57 118.04 1ual h LYS 235 Ca 0.27 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1ual h LYS 235 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1ual h LYS 235 CO -0.03 0.25 0.24 -0.07 -2.27 0.00 0.00 179.45 177.57 1ual h LEU 236 N -0.27 0.84 -0.44 5.20 3.38 -1.08 -0.63 115.31 122.31 1ual h LEU 236 Ca -0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1ual h LEU 236 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ual h LEU 236 CO 0.00 0.77 -0.01 0.25 0.09 0.00 0.00 178.44 179.54 1ual h LEU 237 N 0.90 0.76 -1.03 1.67 5.85 -1.19 -0.64 115.31 121.64 1ual h LEU 237 Ca 0.21 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ual h LEU 237 Cb 0.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ual h LEU 237 CO -0.02 0.89 0.36 0.11 -0.34 0.00 0.00 178.44 179.44 1ual h LYS 238 N 0.62 1.04 -0.41 1.25 1.57 -0.91 -0.22 116.57 119.52 1ual h LYS 238 Ca 0.12 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1ual h LYS 238 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1ual h LYS 238 CO 0.02 0.80 0.04 0.93 -0.57 0.00 0.00 179.45 180.68 1ual h GLU 239 N 1.04 0.69 -0.71 3.15 5.08 -0.81 -0.70 114.58 122.32 1ual h GLU 239 Ca 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ual h GLU 239 Cb 0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ual h GLU 239 CO -0.03 0.75 0.24 0.00 -1.00 0.00 0.00 179.01 178.96 1ual h ALA 240 N 0.91 1.07 -0.29 3.43 0.00 -0.66 -0.28 119.26 123.45 1ual h ALA 240 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1ual h ALA 240 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ual h ALA 240 CO 0.01 0.64 -0.42 1.96 0.00 0.00 0.00 179.25 181.43 1ual h GLN 241 N 1.05 0.72 -0.51 0.00 4.20 -0.89 -0.10 115.11 119.58 1ual h GLN 241 Ca 0.23 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 1ual h GLN 241 Cb 0.27 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1ual h GLN 241 CO -0.01 1.01 -0.06 0.00 -0.67 0.00 0.00 178.83 179.09 1ual h ALA 242 N 0.94 0.92 -0.35 3.87 0.00 -0.81 0.41 119.26 124.23 1ual h ALA 242 Ca 0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1ual h ALA 242 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ual h ALA 242 CO 0.09 0.63 -0.23 0.93 0.00 0.00 0.00 179.25 180.68 1ual h GLU 243 N 0.83 0.69 -0.54 0.00 5.08 -0.86 -2.37 114.58 117.42 1ual h GLU 243 Ca 0.14 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1ual h GLU 243 Cb 0.58 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1ual h GLU 243 CO 0.04 0.86 -0.01 1.25 -1.00 0.00 0.00 179.01 180.14 1ual h HIS 244 N 0.61 1.04 0.00 4.33 2.76 -0.48 -2.75 115.15 120.66 1ual h HIS 244 Ca 0.09 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1ual h HIS 244 Cb 0.71 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1ual h HIS 244 CO 0.03 0.96 0.00 0.09 -1.30 0.00 0.00 177.93 177.71 1ual n ASN 245 N -4.26 0.00 -0.93 3.26 3.02 0.09 -2.54 115.26 113.89 1ual n ASN 245 Ca 0.02 0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 1ual n ASN 245 Cb 0.34 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.38 1ual n ASN 245 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ual n SER 246 N -1.33 2.86 -4.50 6.41 3.41 -0.92 -4.96 113.62 114.60 1ual n SER 246 Ca 0.09 -1.92 -0.25 0.00 -0.26 0.00 0.00 58.87 56.54 1ual n SER 246 Cb 0.19 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1ual n SER 246 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ual s LEU 247 N -1.83 2.65 0.65 1.04 1.43 -1.05 -5.10 118.68 116.48 1ual s LEU 247 Ca 0.33 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 1ual s LEU 247 Cb 0.21 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 1ual s LEU 247 CO 0.31 -0.05 1.04 -1.61 0.23 0.00 0.00 176.35 176.27 1ual s GLU 248 N -3.55 3.31 0.04 1.70 2.02 -1.26 -5.02 118.70 115.94 1ual s GLU 248 Ca 0.31 0.81 -0.04 0.00 0.02 0.00 0.00 54.97 56.07 1ual s GLU 248 Cb -0.02 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 1ual s GLU 248 CO 0.16 -0.79 0.07 -1.01 0.02 0.00 0.00 175.26 173.71 1ual s HIS 249 N -3.14 0.23 -2.37 1.61 3.76 -1.26 -5.11 115.29 109.01 1ual s HIS 249 Ca 0.56 -0.55 0.29 0.00 -0.15 0.00 0.00 55.06 55.21 1ual s HIS 249 Cb -0.12 -0.17 1.27 0.00 1.11 0.00 0.00 32.58 34.67 1ual s HIS 249 CO 0.54 -0.35 1.87 0.72 -0.85 0.00 0.00 174.74 176.68