============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 40.601 66.392 3.762 -99.200 -91.000 PHE 44 1.000 26.896 71.245 28.208 -99.200 -91.000 PHE 51 1.000 30.219 62.565 17.623 -99.200 -91.000 HIS 64 0.900 41.951 70.770 30.785 -99.200 -91.000 HIS 78 0.900 33.487 55.514 33.598 -99.200 -91.000 PHE 80 1.000 41.838 55.759 41.263 -99.200 -91.000 TRP 81 1.040 36.991 53.234 41.460 -99.200 -91.000 TRP6 81 1.020 36.819 51.155 42.567 -99.200 -91.000 TYR 82 0.840 33.680 51.412 37.074 -99.200 -91.000 HIS 94 0.900 46.720 63.581 45.814 -99.200 -91.000 HIS 117 0.900 62.376 65.025 46.997 -99.200 -91.000 PHE 118 1.000 56.283 66.698 47.334 -99.200 -91.000 HIS 130 0.900 30.593 59.358 42.755 -99.200 -91.000 HIS 153 0.900 46.212 76.560 45.094 -99.200 -91.000 HIS 158 0.900 36.907 66.760 31.865 -99.200 -91.000 PHE 165 1.000 22.440 68.053 28.774 -99.200 -91.000 TYR 178 0.840 25.348 71.440 37.539 -99.200 -91.000 TYR 181 0.840 30.498 78.474 39.322 -99.200 -91.000 PHE 186 1.000 27.331 67.377 25.838 -99.200 -91.000 PHE 205 1.000 40.039 71.158 26.830 -99.200 -91.000 HIS 242 0.900 16.281 62.373 36.968 -99.200 -91.000 PHE 247 1.000 5.176 53.296 40.502 -99.200 -91.000 TYR 257 0.840 12.820 42.322 45.907 -99.200 -91.000 HIS 280 0.900 28.010 38.131 41.614 -99.200 -91.000 PHE 282 1.000 16.496 38.893 43.104 -99.200 -91.000 HIS 306 0.900 16.850 52.332 29.457 -99.200 -91.000 PHE 321 1.000 12.901 43.632 40.723 -99.200 -91.000 PHE 325 1.000 10.369 39.792 49.775 -99.200 -91.000 PHE 328 1.000 15.254 33.005 44.120 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lw5A1 ILE 2 HA 0.02 -0.10 0.25 -0.75 4.18 3.60 1lw5A1 ILE 2 HB 0.01 0.00 0.17 -0.04 1.89 2.04 1lw5A1 ILE 2 HG12 0.02 -0.11 0.08 -0.04 1.49 1.43 1lw5A1 ILE 2 HG13 0.01 0.10 0.10 -0.04 1.21 1.37 1lw5A1 ILE 2 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.75 1lw5A1 ILE 2 HD13 0.02 0.02 -0.02 -0.04 0.88 0.86 1lw5A1 ASP 3 H 0.06 0.14 0.09 -0.55 8.40 8.15 1lw5A1 ASP 3 HA 0.05 0.07 0.83 -0.75 4.63 4.83 1lw5A1 ASP 3 HB2 0.06 0.05 0.10 -0.04 2.71 2.88 1lw5A1 ASP 3 HB3 0.16 0.02 0.19 -0.04 2.70 3.02 1lw5A1 LEU 4 H 0.06 0.71 0.36 -0.55 8.37 8.96 1lw5A1 LEU 4 HA 0.12 0.38 0.89 -0.75 4.35 4.98 1lw5A1 LEU 4 HB2 0.08 0.15 0.15 -0.04 1.64 1.97 1lw5A1 LEU 4 HB3 0.07 -0.18 0.22 -0.04 1.64 1.71 1lw5A1 LEU 4 HG 0.06 0.01 -0.29 -0.04 1.64 1.38 1lw5A1 LEU 4 HD13 0.13 -0.01 -0.11 -0.04 0.93 0.90 1lw5A1 LEU 4 HD23 0.02 0.02 -0.20 -0.04 0.89 0.68 1lw5A1 ARG 5 H 0.07 0.05 -0.23 -0.55 8.46 7.80 1lw5A1 ARG 5 HA 0.03 0.05 0.54 -0.75 4.34 4.20 1lw5A1 ARG 5 HB2 0.02 -0.00 0.00 -0.04 1.90 1.87 1lw5A1 ARG 5 HB3 0.00 -0.01 -0.10 -0.04 1.80 1.64 1lw5A1 ARG 5 HG2 0.01 -0.07 -0.37 -0.04 1.67 1.19 1lw5A1 ARG 5 HG3 0.02 -0.00 -0.43 -0.04 1.67 1.22 1lw5A1 ARG 5 HD2 -0.00 -0.01 -0.11 -0.04 3.22 3.06 1lw5A1 ARG 5 HD3 0.00 0.02 -0.10 -0.04 3.22 3.10 1lw5A1 SER 6 H 0.04 0.31 -0.04 -0.55 8.46 8.22 1lw5A1 SER 6 HA 0.03 0.15 0.37 -0.75 4.49 4.28 1lw5A1 SER 6 HB2 -0.02 0.24 -0.12 -0.04 3.95 4.02 1lw5A1 SER 6 HB3 -0.03 -0.04 -0.17 -0.04 3.93 3.65 1lw5A1 ASP 7 H 0.01 0.18 0.06 -0.55 8.40 8.10 1lw5A1 ASP 7 HA -0.25 0.16 0.56 -0.75 4.63 4.35 1lw5A1 ASP 7 HB2 0.04 0.07 0.25 -0.04 2.71 3.03 1lw5A1 ASP 7 HB3 0.11 0.18 0.09 -0.04 2.70 3.04 1lw5A1 THR 8 H -0.07 -0.04 -0.44 -0.55 8.28 7.19 1lw5A1 THR 8 HA -0.04 0.28 0.49 -0.75 4.39 4.36 1lw5A1 THR 8 HB -0.03 0.09 0.03 -0.04 4.32 4.37 1lw5A1 THR 8 HG23 -0.02 -0.03 -0.04 -0.04 1.22 1.09 1lw5A1 VAL 9 H -0.18 0.12 -0.40 -0.55 8.24 7.23 1lw5A1 VAL 9 HA -0.07 0.16 0.38 -0.75 4.13 3.85 1lw5A1 VAL 9 HB -0.05 -0.00 0.09 -0.04 2.12 2.12 1lw5A1 VAL 9 HG13 -0.05 -0.04 -0.05 -0.04 0.97 0.79 1lw5A1 VAL 9 HG23 -0.24 0.05 -0.13 -0.04 0.95 0.58 1lw5A1 THR 10 H -0.18 0.21 -0.65 -0.55 8.28 7.11 1lw5A1 THR 10 HA -0.03 -0.13 0.34 -0.75 4.39 3.81 1lw5A1 THR 10 HB 0.02 0.05 -0.07 -0.04 4.32 4.28 1lw5A1 THR 10 HG23 -0.02 -0.05 0.04 -0.04 1.22 1.15 1lw5A1 LYS 11 H 0.03 -0.02 0.16 -0.55 8.42 8.04 1lw5A1 LYS 11 HA 0.01 0.25 0.83 -0.75 4.32 4.65 1lw5A1 LYS 11 HB2 0.02 -0.10 0.06 -0.04 1.87 1.81 1lw5A1 LYS 11 HB3 0.01 0.04 0.09 -0.04 1.79 1.90 1lw5A1 LYS 11 HG2 0.01 0.09 -0.09 -0.04 1.46 1.43 1lw5A1 LYS 11 HG3 0.02 0.04 -0.02 -0.04 1.46 1.45 1lw5A1 LYS 11 HD2 0.02 -0.06 0.02 -0.04 1.69 1.62 1lw5A1 LYS 11 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 1lw5A1 LYS 11 HE2 0.01 0.03 -0.00 -0.04 2.99 2.98 1lw5A1 LYS 11 HE3 0.02 0.01 0.01 -0.04 2.99 2.98 1lw5A1 PRO 12 HA 0.02 0.14 0.50 -0.51 4.44 4.58 1lw5A1 PRO 12 HB2 0.01 0.03 0.06 -0.04 2.28 2.34 1lw5A1 PRO 12 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 1lw5A1 PRO 12 HG2 0.01 -0.02 0.10 -0.04 2.03 2.09 1lw5A1 PRO 12 HG3 0.02 0.06 0.08 -0.04 2.03 2.14 1lw5A1 PRO 12 HD2 0.01 0.04 0.18 -0.04 3.68 3.87 1lw5A1 PRO 12 HD3 0.01 0.16 0.23 -0.04 3.65 4.01 1lw5A1 THR 13 H 0.01 0.11 0.17 -0.55 8.28 8.02 1lw5A1 THR 13 HA 0.01 0.09 0.51 -0.75 4.39 4.25 1lw5A1 THR 13 HB 0.00 -0.15 0.16 -0.04 4.32 4.29 1lw5A1 THR 13 HG23 0.01 0.04 0.05 -0.04 1.22 1.28 1lw5A1 GLU 14 H 0.01 0.09 0.16 -0.55 8.60 8.31 1lw5A1 GLU 14 HA 0.00 0.14 0.40 -0.75 4.29 4.08 1lw5A1 GLU 14 HB2 0.00 0.02 0.13 -0.04 2.09 2.21 1lw5A1 GLU 14 HB3 0.00 -0.07 0.12 -0.04 1.99 2.00 1lw5A1 GLU 14 HG2 0.00 -0.03 -0.02 -0.04 2.34 2.26 1lw5A1 GLU 14 HG3 0.00 -0.00 -0.21 -0.04 2.34 2.09 1lw5A1 GLU 15 H 0.00 0.01 -0.21 -0.55 8.60 7.86 1lw5A1 GLU 15 HA -0.00 0.04 0.22 -0.75 4.29 3.80 1lw5A1 GLU 15 HB2 -0.00 -0.03 0.07 -0.04 2.09 2.09 1lw5A1 GLU 15 HB3 -0.00 0.07 0.05 -0.04 1.99 2.07 1lw5A1 GLU 15 HG2 -0.00 0.00 0.08 -0.04 2.34 2.38 1lw5A1 GLU 15 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.32 1lw5A1 ARG 17 HA 0.00 -0.06 0.29 -0.75 4.34 3.82 1lw5A1 ARG 17 HB2 0.00 0.02 0.09 -0.04 1.90 1.97 1lw5A1 ARG 17 HB3 0.00 -0.06 -0.03 -0.04 1.80 1.67 1lw5A1 ARG 17 HG2 0.01 -0.05 0.04 -0.04 1.67 1.63 1lw5A1 ARG 17 HG3 0.01 0.15 -0.05 -0.04 1.67 1.73 1lw5A1 ARG 17 HD2 0.01 -0.06 -0.07 -0.04 3.22 3.06 1lw5A1 ARG 17 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 1lw5A1 LYS 18 H 0.00 0.54 -0.62 -0.55 8.42 7.79 1lw5A1 LYS 18 HA -0.00 -0.01 0.44 -0.75 4.32 3.99 1lw5A1 LYS 18 HB2 -0.00 0.10 0.14 -0.04 1.87 2.07 1lw5A1 LYS 18 HB3 -0.00 -0.09 -0.02 -0.04 1.79 1.64 1lw5A1 LYS 18 HG2 -0.00 -0.07 0.01 -0.04 1.46 1.36 1lw5A1 LYS 18 HG3 0.00 0.12 0.01 -0.04 1.46 1.55 1lw5A1 LYS 18 HD2 -0.00 -0.01 -0.09 -0.04 1.69 1.55 1lw5A1 LYS 18 HD3 -0.00 -0.05 -0.03 -0.04 1.68 1.56 1lw5A1 LYS 18 HE2 -0.00 -0.06 -0.06 -0.04 2.99 2.82 1lw5A1 LYS 18 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.88 1lw5A1 ALA 19 H -0.00 0.57 0.23 -0.55 8.40 8.66 1lw5A1 ALA 19 HA -0.01 -0.02 0.19 -0.75 4.34 3.75 1lw5A1 ALA 19 HB3 -0.01 -0.01 0.01 -0.04 1.41 1.36 1lw5A1 ALA 21 HA -0.00 -0.12 0.36 -0.75 4.34 3.83 1lw5A1 ALA 21 HB3 -0.00 0.01 0.12 -0.04 1.41 1.49 1lw5A1 GLN 22 H -0.00 0.46 -0.77 -0.55 8.47 7.61 1lw5A1 GLN 22 HA -0.00 0.15 0.92 -0.75 4.36 4.66 1lw5A1 GLN 22 HB2 -0.00 -0.11 0.15 -0.04 2.15 2.15 1lw5A1 GLN 22 HB3 -0.00 -0.03 -0.03 -0.04 2.02 1.91 1lw5A1 GLN 22 HG2 -0.00 0.37 -0.05 -0.04 2.40 2.67 1lw5A1 GLN 22 HG3 -0.01 -0.07 -0.13 -0.04 2.39 2.14 1lw5A1 GLN 22 HE21 -0.00 -0.06 -0.05 -0.04 6.97 6.82 1lw5A1 GLN 22 HE22 -0.00 -0.02 -0.05 -0.04 7.69 7.57 1lw5A1 ALA 23 H -0.01 0.17 0.11 -0.55 8.40 8.12 1lw5A1 ALA 23 HA -0.01 -0.00 0.47 -0.75 4.34 4.03 1lw5A1 ALA 23 HB3 -0.02 0.02 -0.06 -0.04 1.41 1.32 1lw5A1 GLU 24 H -0.01 0.11 0.20 -0.55 8.60 8.34 1lw5A1 GLU 24 HA -0.01 0.13 0.67 -0.75 4.29 4.33 1lw5A1 VAL 25 H -0.01 0.24 0.20 -0.55 8.24 8.13 1lw5A1 VAL 25 HA -0.01 0.05 1.06 -0.75 4.13 4.48 1lw5A1 VAL 25 HB -0.00 -0.16 0.17 -0.04 2.12 2.09 1lw5A1 VAL 25 HG13 -0.01 0.04 -0.30 -0.04 0.97 0.65 1lw5A1 VAL 25 HG23 -0.00 0.04 -0.06 -0.04 0.95 0.89 1lw5A1 GLY 26 H 0.01 0.21 0.26 -0.55 8.43 8.36 1lw5A1 GLY 26 HA2 0.00 0.11 0.41 -0.51 4.01 4.03 1lw5A1 GLY 26 HA3 0.01 0.41 0.14 -0.51 4.01 4.06 1lw5A1 ASP 27 H 0.03 0.24 0.01 -0.55 8.40 8.14 1lw5A1 ASP 27 HA 0.07 0.08 0.44 -0.75 4.63 4.46 1lw5A1 ASP 27 HB2 0.08 0.08 0.10 -0.04 2.71 2.93 1lw5A1 ASP 27 HB3 0.26 -0.01 0.15 -0.04 2.70 3.06 1lw5A1 ASP 28 H 0.06 0.58 0.26 -0.55 8.40 8.75 1lw5A1 ASP 28 HA 0.05 -0.13 0.42 -0.75 4.63 4.21 1lw5A1 ASP 28 HB2 0.04 -0.02 0.26 -0.04 2.71 2.95 1lw5A1 ASP 28 HB3 0.04 0.13 0.21 -0.04 2.70 3.04 1lw5A1 VAL 29 H 0.04 0.09 -0.19 -0.55 8.24 7.63 1lw5A1 VAL 29 HA -0.06 0.16 0.38 -0.75 4.13 3.85 1lw5A1 VAL 29 HB -0.14 -0.08 -0.01 -0.04 2.12 1.85 1lw5A1 VAL 29 HG13 -0.27 0.02 -0.04 -0.04 0.97 0.64 1lw5A1 VAL 29 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 1lw5A1 TYR 30 H 0.18 0.12 -0.45 -0.55 8.29 7.59 1lw5A1 TYR 30 HA 0.00 0.20 0.65 -0.75 4.56 4.65 1lw5A1 TYR 30 HB2 0.00 -0.00 0.05 -0.04 3.06 3.06 1lw5A1 TYR 30 HB3 0.00 0.03 0.11 -0.04 2.98 3.08 1lw5A1 TYR 30 HD2 0.00 -0.04 -0.01 -0.04 7.15 7.07 1lw5A1 TYR 30 HE2 -0.00 0.00 -0.02 -0.04 6.85 6.79 1lw5A1 GLY 31 H 0.06 0.48 -0.57 -0.55 8.43 7.86 1lw5A1 GLY 31 HA2 0.04 0.03 0.33 -0.51 4.01 3.89 1lw5A1 GLY 31 HA3 0.04 0.09 0.41 -0.51 4.01 4.04 1lw5A1 GLU 32 H 0.09 0.42 -0.24 -0.55 8.60 8.33 1lw5A1 GLU 32 HA 0.03 0.31 0.80 -0.75 4.29 4.67 1lw5A1 GLU 32 HB2 0.05 -0.09 -0.01 -0.04 2.09 2.00 1lw5A1 GLU 32 HB3 0.01 -0.03 0.11 -0.04 1.99 2.04 1lw5A1 GLU 32 HG2 0.03 0.06 -0.13 -0.04 2.34 2.25 1lw5A1 GLU 32 HG3 0.10 0.18 -0.39 -0.04 2.34 2.20 1lw5A1 ASP 33 H 0.03 0.14 -0.40 -0.55 8.40 7.62 1lw5A1 ASP 33 HA 0.01 0.17 0.58 -0.75 4.63 4.63 1lw5A1 ASP 33 HB2 0.02 0.23 -0.04 -0.04 2.71 2.88 1lw5A1 ASP 33 HB3 0.00 -0.01 0.11 -0.04 2.70 2.77 1lw5A1 PRO 34 HA -0.00 0.11 0.33 -0.51 4.44 4.37 1lw5A1 PRO 34 HB2 -0.01 0.05 -0.04 -0.04 2.28 2.23 1lw5A1 PRO 34 HB3 -0.00 0.05 0.02 -0.04 2.02 2.05 1lw5A1 PRO 34 HG2 -0.00 0.05 -0.05 -0.04 2.03 1.99 1lw5A1 PRO 34 HG3 -0.00 0.10 -0.04 -0.04 2.03 2.05 1lw5A1 PRO 34 HD2 -0.01 0.13 -0.13 -0.04 3.68 3.63 1lw5A1 PRO 34 HD3 -0.00 0.36 0.04 -0.04 3.65 4.01 1lw5A1 THR 35 H -0.02 0.23 -0.10 -0.55 8.28 7.84 1lw5A1 THR 35 HA -0.03 0.14 0.51 -0.75 4.39 4.25 1lw5A1 THR 35 HB -0.06 -0.15 0.13 -0.04 4.32 4.20 1lw5A1 THR 35 HG23 -0.06 0.03 -0.17 -0.04 1.22 0.98 1lw5A1 ILE 36 H -0.05 0.04 -0.21 -0.55 8.25 7.48 1lw5A1 ILE 36 HA -0.17 0.09 0.39 -0.75 4.18 3.73 1lw5A1 ILE 36 HB -0.03 0.05 0.08 -0.04 1.89 1.96 1lw5A1 ILE 36 HG12 -0.11 -0.15 -0.21 -0.04 1.49 0.98 1lw5A1 ILE 36 HG13 -0.03 0.00 -0.04 -0.04 1.21 1.10 1lw5A1 ILE 36 HG23 0.00 0.03 -0.15 -0.04 0.93 0.77 1lw5A1 ILE 36 HD13 -0.31 0.05 -0.07 -0.04 0.88 0.51 1lw5A1 ASN 37 H -0.01 0.45 -0.20 -0.55 8.53 8.22 1lw5A1 ASN 37 HA 0.01 0.05 0.34 -0.75 4.76 4.41 1lw5A1 ASN 37 HB2 0.01 0.07 0.06 -0.04 2.88 2.97 1lw5A1 ASN 37 HB3 0.01 -0.00 -0.01 -0.04 2.79 2.75 1lw5A1 ASN 37 HD21 0.02 0.24 -0.25 -0.04 7.03 7.00 1lw5A1 ASN 37 HD22 0.01 -0.08 -0.19 -0.04 7.74 7.44 1lw5A1 GLU 38 H -0.01 0.40 -0.32 -0.55 8.60 8.13 1lw5A1 GLU 38 HA 0.02 0.02 0.45 -0.75 4.29 4.02 1lw5A1 GLU 38 HB2 0.00 0.05 0.12 -0.04 2.09 2.22 1lw5A1 GLU 38 HB3 -0.01 0.08 0.16 -0.04 1.99 2.18 1lw5A1 GLU 38 HG2 0.00 -0.00 -0.01 -0.04 2.34 2.28 1lw5A1 GLU 38 HG3 0.01 0.00 -0.19 -0.04 2.34 2.12 1lw5A1 LEU 39 H -0.02 0.54 -0.15 -0.55 8.37 8.19 1lw5A1 LEU 39 HA 0.03 0.02 0.40 -0.75 4.35 4.04 1lw5A1 LEU 39 HB2 -0.08 0.05 0.11 -0.04 1.64 1.68 1lw5A1 LEU 39 HB3 -0.09 0.09 0.18 -0.04 1.64 1.78 1lw5A1 LEU 39 HG 0.06 -0.01 -0.35 -0.04 1.64 1.30 1lw5A1 LEU 39 HD13 0.09 -0.01 -0.16 -0.04 0.93 0.81 1lw5A1 LEU 39 HD23 -0.22 -0.01 -0.05 -0.04 0.89 0.57 1lw5A1 GLU 40 H 0.02 0.59 -0.16 -0.55 8.60 8.51 1lw5A1 GLU 40 HA 0.10 -0.00 0.30 -0.75 4.29 3.93 1lw5A1 GLU 40 HB2 0.04 0.10 0.07 -0.04 2.09 2.26 1lw5A1 GLU 40 HB3 0.06 0.03 -0.05 -0.04 1.99 1.99 1lw5A1 GLU 40 HG2 0.09 -0.10 -0.18 -0.04 2.34 2.11 1lw5A1 GLU 40 HG3 0.04 0.19 0.02 -0.04 2.34 2.55 1lw5A1 ARG 41 H 0.05 0.45 -0.27 -0.55 8.46 8.13 1lw5A1 ARG 41 HA 0.06 0.03 0.39 -0.75 4.34 4.07 1lw5A1 ARG 41 HB2 0.04 0.10 0.14 -0.04 1.90 2.13 1lw5A1 ARG 41 HB3 0.04 0.07 0.18 -0.04 1.80 2.05 1lw5A1 ARG 41 HG2 0.04 -0.03 -0.11 -0.04 1.67 1.54 1lw5A1 ARG 41 HG3 0.04 -0.01 0.03 -0.04 1.67 1.69 1lw5A1 ARG 41 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.15 1lw5A1 ARG 41 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 1lw5A1 LEU 42 H 0.07 0.72 -0.05 -0.55 8.37 8.55 1lw5A1 LEU 42 HA 0.07 -0.02 0.38 -0.75 4.35 4.03 1lw5A1 LEU 42 HB2 0.08 0.12 0.16 -0.04 1.64 1.96 1lw5A1 LEU 42 HB3 0.08 -0.03 -0.03 -0.04 1.64 1.62 1lw5A1 LEU 42 HG 0.04 0.05 0.07 -0.04 1.64 1.75 1lw5A1 LEU 42 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.86 1lw5A1 LEU 42 HD23 0.03 -0.02 0.00 -0.04 0.89 0.87 1lw5A1 ALA 43 H 0.16 0.61 -0.22 -0.55 8.40 8.40 1lw5A1 ALA 43 HA 0.37 0.01 0.34 -0.75 4.34 4.30 1lw5A1 ALA 43 HB3 0.35 0.01 -0.03 -0.04 1.41 1.70 1lw5A1 ALA 44 H 0.15 0.59 -0.23 -0.55 8.40 8.37 1lw5A1 ALA 44 HA 0.17 -0.03 0.23 -0.75 4.34 3.96 1lw5A1 ALA 44 HB3 0.10 0.06 -0.17 -0.04 1.41 1.35 1lw5A1 GLU 45 H 0.11 0.57 -0.19 -0.55 8.60 8.55 1lw5A1 GLU 45 HA 0.07 0.01 0.36 -0.75 4.29 3.97 1lw5A1 GLU 45 HB2 0.06 0.06 0.10 -0.04 2.09 2.27 1lw5A1 GLU 45 HB3 0.07 0.12 0.14 -0.04 1.99 2.28 1lw5A1 GLU 45 HG2 0.03 -0.01 -0.16 -0.04 2.34 2.17 1lw5A1 GLU 45 HG3 0.03 -0.04 0.02 -0.04 2.34 2.31 1lw5A1 THR 46 H 0.15 0.69 -0.14 -0.55 8.28 8.42 1lw5A1 THR 46 HA 0.00 -0.04 0.36 -0.75 4.39 3.96 1lw5A1 THR 46 HB 0.28 0.11 0.10 -0.04 4.32 4.78 1lw5A1 THR 46 HG23 -0.16 -0.04 -0.10 -0.04 1.22 0.88 1lw5A1 PHE 47 H 0.35 0.52 -0.29 -0.55 8.34 8.37 1lw5A1 PHE 47 HA -0.01 0.03 0.70 -0.75 4.62 4.58 1lw5A1 PHE 47 HB2 0.08 0.10 -0.00 -0.04 3.15 3.28 1lw5A1 PHE 47 HB3 0.03 -0.04 0.04 -0.04 3.06 3.05 1lw5A1 PHE 47 HD2 -0.02 0.13 -0.06 -0.04 7.28 7.29 1lw5A1 PHE 47 HE2 -0.52 -0.04 -0.08 -0.04 7.38 6.70 1lw5A1 PHE 47 HZ -1.25 -0.06 -0.07 -0.04 7.32 5.90 1lw5A1 GLY 48 H 0.09 0.40 -0.41 -0.55 8.43 7.97 1lw5A1 GLY 48 HA2 0.05 0.02 0.30 -0.51 4.01 3.87 1lw5A1 GLY 48 HA3 0.03 -0.06 0.35 -0.51 4.01 3.82 1lw5A1 LYS 49 H 0.13 0.54 -0.08 -0.55 8.42 8.45 1lw5A1 LYS 49 HA 0.07 0.18 0.85 -0.75 4.32 4.66 1lw5A1 LYS 49 HB2 0.13 -0.00 -0.01 -0.04 1.87 1.95 1lw5A1 LYS 49 HB3 0.10 -0.06 0.09 -0.04 1.79 1.88 1lw5A1 LYS 49 HG2 0.16 0.14 -0.39 -0.04 1.46 1.33 1lw5A1 LYS 49 HG3 0.10 -0.07 -0.29 -0.04 1.46 1.17 1lw5A1 LYS 49 HD2 0.06 -0.15 -0.07 -0.04 1.69 1.49 1lw5A1 LYS 49 HD3 0.06 0.14 -0.14 -0.04 1.68 1.70 1lw5A1 LYS 49 HE2 0.08 -0.01 -0.23 -0.04 2.99 2.79 1lw5A1 LYS 49 HE3 0.05 -0.08 -0.24 -0.04 2.99 2.68 1lw5A1 GLU 50 H 0.07 0.11 0.07 -0.55 8.60 8.31 1lw5A1 GLU 50 HA 0.05 0.09 0.46 -0.75 4.29 4.14 1lw5A1 GLU 50 HB2 0.07 -0.06 0.27 -0.04 2.09 2.33 1lw5A1 GLU 50 HB3 0.05 -0.05 0.09 -0.04 1.99 2.04 1lw5A1 GLU 50 HG2 0.04 0.03 0.07 -0.04 2.34 2.44 1lw5A1 GLU 50 HG3 0.05 0.08 0.07 -0.04 2.34 2.50 1lw5A1 ALA 51 H 0.09 0.59 0.16 -0.55 8.40 8.69 1lw5A1 ALA 51 HA 0.07 0.17 0.69 -0.75 4.34 4.51 1lw5A1 ALA 51 HB3 0.06 0.01 -0.13 -0.04 1.41 1.31 1lw5A1 ALA 52 H 0.06 0.26 0.21 -0.55 8.40 8.38 1lw5A1 ALA 52 HA 0.08 0.35 0.95 -0.75 4.34 4.96 1lw5A1 ALA 52 HB3 0.10 -0.00 -0.04 -0.04 1.41 1.42 1lw5A1 LEU 53 H 0.02 0.57 0.31 -0.55 8.37 8.72 1lw5A1 LEU 53 HA 0.04 0.07 0.84 -0.75 4.35 4.54 1lw5A1 LEU 53 HB2 -0.03 0.03 -0.17 -0.04 1.64 1.42 1lw5A1 LEU 53 HB3 -0.04 -0.01 0.03 -0.04 1.64 1.58 1lw5A1 LEU 53 HG -0.05 0.10 -0.39 -0.04 1.64 1.26 1lw5A1 LEU 53 HD13 -0.02 -0.02 0.01 -0.04 0.93 0.86 1lw5A1 LEU 53 HD23 -0.11 0.01 -0.29 -0.04 0.89 0.46 1lw5A1 PHE 54 H 0.16 0.10 0.14 -0.55 8.34 8.19 1lw5A1 PHE 54 HA -0.08 0.21 0.79 -0.75 4.62 4.78 1lw5A1 PHE 54 HB2 -0.02 -0.04 0.06 -0.04 3.15 3.11 1lw5A1 PHE 54 HB3 -0.02 -0.06 0.13 -0.04 3.06 3.07 1lw5A1 PHE 54 HD2 -0.04 -0.01 -0.07 -0.04 7.28 7.13 1lw5A1 PHE 54 HE2 -0.02 -0.01 -0.09 -0.04 7.38 7.22 1lw5A1 PHE 54 HZ -0.01 0.07 -0.18 -0.04 7.32 7.16 1lw5A1 VAL 55 H -0.64 0.62 0.35 -0.55 8.24 8.03 1lw5A1 VAL 55 HA -0.33 0.26 0.88 -0.75 4.13 4.19 1lw5A1 VAL 55 HB -0.19 -0.03 0.06 -0.04 2.12 1.92 1lw5A1 VAL 55 HG13 -0.13 0.01 -0.25 -0.04 0.97 0.55 1lw5A1 VAL 55 HG23 -0.21 -0.01 -0.16 -0.04 0.95 0.52 1lw5A1 PRO 56 HA -0.24 0.04 0.43 -0.51 4.44 4.16 1lw5A1 PRO 56 HB2 -0.09 0.02 -0.02 -0.04 2.28 2.15 1lw5A1 PRO 56 HB3 -0.07 0.02 0.08 -0.04 2.02 2.01 1lw5A1 PRO 56 HG2 -0.08 0.11 0.07 -0.04 2.03 2.09 1lw5A1 PRO 56 HG3 -0.09 0.05 0.08 -0.04 2.03 2.02 1lw5A1 PRO 56 HD2 -0.15 0.12 0.18 -0.04 3.68 3.79 1lw5A1 PRO 56 HD3 -0.19 0.25 0.27 -0.04 3.65 3.93 1lw5A1 SER 57 H -0.17 0.31 -0.23 -0.55 8.46 7.83 1lw5A1 SER 57 HA -0.09 0.08 0.52 -0.75 4.49 4.24 1lw5A1 SER 57 HB2 -0.04 -0.10 0.11 -0.04 3.95 3.88 1lw5A1 SER 57 HB3 -0.05 0.17 -0.25 -0.04 3.93 3.76 1lw5A1 GLY 58 H -0.06 0.15 0.07 -0.55 8.43 8.05 1lw5A1 GLY 58 HA2 -0.07 0.17 0.34 -0.51 4.01 3.94 1lw5A1 GLY 58 HA3 -0.06 -0.02 0.24 -0.51 4.01 3.65 1lw5A1 THR 59 H -0.02 0.05 -0.21 -0.55 8.28 7.56 1lw5A1 THR 59 HA 0.05 0.02 0.20 -0.75 4.39 3.91 1lw5A1 THR 59 HB 0.02 0.04 0.00 -0.04 4.32 4.34 1lw5A1 THR 59 HG23 0.05 0.02 0.03 -0.04 1.22 1.28 1lw5A1 GLY 61 HA2 -0.06 -0.03 0.17 -0.51 4.01 3.58 1lw5A1 GLY 61 HA3 -0.05 0.01 0.05 -0.51 4.01 3.52 1lw5A1 ASN 62 H 0.02 0.61 -0.85 -0.55 8.53 7.76 1lw5A1 ASN 62 HA 0.01 0.00 0.40 -0.75 4.76 4.42 1lw5A1 ASN 62 HB2 0.06 0.15 0.11 -0.04 2.88 3.16 1lw5A1 ASN 62 HB3 0.08 -0.06 -0.08 -0.04 2.79 2.69 1lw5A1 ASN 62 HD21 0.09 -0.16 -0.08 -0.04 7.03 6.84 1lw5A1 ASN 62 HD22 0.13 -0.00 -0.13 -0.04 7.74 7.69 1lw5A1 GLN 63 H -0.00 0.66 0.27 -0.55 8.47 8.85 1lw5A1 GLN 63 HA -0.00 0.01 0.38 -0.75 4.36 3.99 1lw5A1 GLN 63 HB2 -0.02 0.03 -0.03 -0.04 2.15 2.10 1lw5A1 GLN 63 HB3 -0.01 0.03 -0.06 -0.04 2.02 1.95 1lw5A1 GLN 63 HG2 0.02 0.21 0.11 -0.04 2.40 2.71 1lw5A1 GLN 63 HG3 0.01 -0.02 0.03 -0.04 2.39 2.37 1lw5A1 GLN 63 HE21 0.06 0.01 -0.07 -0.04 6.97 6.93 1lw5A1 GLN 63 HE22 0.07 -0.02 -0.02 -0.04 7.69 7.68 1lw5A1 VAL 64 H -0.05 0.13 -0.31 -0.55 8.24 7.46 1lw5A1 VAL 64 HA -0.07 0.12 0.34 -0.75 4.13 3.76 1lw5A1 VAL 64 HB -0.13 0.05 0.02 -0.04 2.12 2.02 1lw5A1 VAL 64 HG13 -0.07 -0.01 -0.20 -0.04 0.97 0.65 1lw5A1 VAL 64 HG23 -0.10 -0.01 -0.16 -0.04 0.95 0.65 1lw5A1 SER 65 H -0.06 0.20 -0.55 -0.55 8.46 7.50 1lw5A1 SER 65 HA 0.06 0.00 0.30 -0.75 4.49 4.10 1lw5A1 SER 65 HB2 -0.31 0.14 0.12 -0.04 3.95 3.86 1lw5A1 SER 65 HB3 -0.16 -0.12 -0.11 -0.04 3.93 3.50 1lw5A1 ILE 66 H -0.05 0.47 -0.18 -0.55 8.25 7.94 1lw5A1 ILE 66 HA 0.09 -0.04 0.09 -0.75 4.18 3.56 1lw5A1 ILE 66 HB 0.01 0.15 0.04 -0.04 1.89 2.05 1lw5A1 ILE 66 HG12 0.02 -0.08 -0.14 -0.04 1.49 1.26 1lw5A1 ILE 66 HG13 -0.05 0.19 -0.05 -0.04 1.21 1.27 1lw5A1 ILE 66 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 1lw5A1 ILE 66 HD13 0.04 -0.05 -0.18 -0.04 0.88 0.65 1lw5A1 ALA 68 HA -0.07 -0.11 0.26 -0.75 4.34 3.67 1lw5A1 ALA 68 HB3 -0.34 -0.04 -0.01 -0.04 1.41 0.97 1lw5A1 HIS 69 H 0.13 0.50 -1.53 -0.55 8.41 6.97 1lw5A1 HIS 69 HA 0.14 0.03 0.74 -0.75 4.63 4.78 1lw5A1 HIS 69 HB2 0.07 0.12 -0.03 -0.04 3.26 3.38 1lw5A1 HIS 69 HB3 0.05 -0.08 -0.04 -0.04 3.20 3.09 1lw5A1 HIS 69 HD2 0.01 -0.05 -0.29 -0.04 6.97 6.59 1lw5A1 HIS 69 HE1 -0.45 -0.09 -0.07 -0.04 7.75 7.10 1lw5A1 THR 70 H 0.10 0.35 0.27 -0.55 8.28 8.45 1lw5A1 THR 70 HA 0.08 0.22 1.11 -0.75 4.39 5.05 1lw5A1 THR 70 HB 0.05 -0.10 0.06 -0.04 4.32 4.29 1lw5A1 THR 70 HG23 0.08 0.01 -0.27 -0.04 1.22 0.99 1lw5A1 GLN 71 H 0.04 0.21 0.17 -0.55 8.47 8.35 1lw5A1 GLN 71 HA 0.02 0.14 0.74 -0.75 4.36 4.51 1lw5A1 GLN 71 HB2 0.03 -0.02 0.03 -0.04 2.15 2.15 1lw5A1 GLN 71 HB3 0.02 0.00 0.06 -0.04 2.02 2.06 1lw5A1 GLN 71 HG2 0.02 0.04 -0.03 -0.04 2.40 2.40 1lw5A1 GLN 71 HG3 0.04 0.02 -0.36 -0.04 2.39 2.05 1lw5A1 GLN 71 HE21 0.02 -0.05 -0.01 -0.04 6.97 6.88 1lw5A1 GLN 71 HE22 0.02 0.00 0.00 -0.04 7.69 7.67 1lw5A1 ARG 72 H 0.01 0.06 0.12 -0.55 8.46 8.09 1lw5A1 ARG 72 HA 0.02 0.31 0.42 -0.75 4.34 4.33 1lw5A1 ARG 72 HB2 0.01 0.03 0.10 -0.04 1.90 2.00 1lw5A1 ARG 72 HB3 0.01 0.00 0.13 -0.04 1.80 1.90 1lw5A1 ARG 72 HG2 0.01 -0.07 0.09 -0.04 1.67 1.66 1lw5A1 ARG 72 HG3 0.01 0.03 -0.08 -0.04 1.67 1.58 1lw5A1 ARG 72 HD2 0.00 -0.04 -0.01 -0.04 3.22 3.13 1lw5A1 ARG 72 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 1lw5A1 GLY 73 H 0.02 0.78 0.35 -0.55 8.43 9.03 1lw5A1 GLY 73 HA2 0.02 0.01 0.48 -0.51 4.01 4.01 1lw5A1 GLY 73 HA3 0.02 0.02 0.62 -0.51 4.01 4.16 1lw5A1 ASP 74 H 0.03 0.41 -0.16 -0.55 8.40 8.13 1lw5A1 ASP 74 HA 0.04 -0.02 0.60 -0.75 4.63 4.49 1lw5A1 ASP 74 HB2 0.04 0.02 0.09 -0.04 2.71 2.81 1lw5A1 ASP 74 HB3 0.03 -0.03 0.18 -0.04 2.70 2.84 1lw5A1 GLU 75 H 0.03 0.56 0.29 -0.55 8.60 8.94 1lw5A1 GLU 75 HA 0.04 0.15 0.88 -0.75 4.29 4.60 1lw5A1 GLU 75 HB2 0.05 0.02 -0.22 -0.04 2.09 1.90 1lw5A1 GLU 75 HB3 0.05 -0.05 -0.13 -0.04 1.99 1.81 1lw5A1 GLU 75 HG2 0.07 -0.07 -0.15 -0.04 2.34 2.15 1lw5A1 GLU 75 HG3 0.03 0.07 -0.04 -0.04 2.34 2.36 1lw5A1 VAL 76 H 0.04 0.21 0.08 -0.55 8.24 8.02 1lw5A1 VAL 76 HA 0.01 0.30 1.07 -0.75 4.13 4.75 1lw5A1 VAL 76 HB 0.04 -0.06 -0.02 -0.04 2.12 2.05 1lw5A1 VAL 76 HG13 0.03 -0.01 -0.36 -0.04 0.97 0.60 1lw5A1 VAL 76 HG23 0.04 0.01 -0.27 -0.04 0.95 0.68 1lw5A1 ILE 77 H -0.03 0.62 0.32 -0.55 8.25 8.61 1lw5A1 ILE 77 HA -0.05 0.24 0.72 -0.75 4.18 4.34 1lw5A1 ILE 77 HB -0.08 -0.03 0.24 -0.04 1.89 1.98 1lw5A1 ILE 77 HG12 -0.35 0.10 -0.02 -0.04 1.49 1.19 1lw5A1 ILE 77 HG13 -0.12 -0.05 -0.05 -0.04 1.21 0.94 1lw5A1 ILE 77 HG23 -0.12 0.00 -0.11 -0.04 0.93 0.67 1lw5A1 ILE 77 HD13 -0.19 0.01 -0.18 -0.04 0.88 0.47 1lw5A1 LEU 78 H -0.06 0.50 0.17 -0.55 8.37 8.44 1lw5A1 LEU 78 HA 0.01 0.25 0.68 -0.75 4.35 4.53 1lw5A1 LEU 78 HB2 0.06 -0.15 0.04 -0.04 1.64 1.55 1lw5A1 LEU 78 HB3 0.03 0.08 -0.32 -0.04 1.64 1.39 1lw5A1 LEU 78 HG -0.05 0.04 -0.31 -0.04 1.64 1.28 1lw5A1 LEU 78 HD13 0.13 -0.02 -0.23 -0.04 0.93 0.77 1lw5A1 LEU 78 HD23 -0.17 0.09 -0.22 -0.04 0.89 0.55 1lw5A1 GLU 79 H 0.05 0.12 0.16 -0.55 8.60 8.38 1lw5A1 GLU 79 HA 0.01 0.40 0.55 -0.75 4.29 4.50 1lw5A1 GLU 79 HB2 0.07 0.11 0.18 -0.04 2.09 2.41 1lw5A1 GLU 79 HB3 0.17 -0.20 0.07 -0.04 1.99 2.00 1lw5A1 GLU 79 HG2 -0.01 0.24 -0.11 -0.04 2.34 2.41 1lw5A1 GLU 79 HG3 -0.04 0.08 -0.06 -0.04 2.34 2.28 1lw5A1 ALA 80 H 0.03 0.65 0.12 -0.55 8.40 8.65 1lw5A1 ALA 80 HA 0.00 0.11 0.26 -0.75 4.34 3.96 1lw5A1 ALA 80 HB3 0.10 0.00 -0.11 -0.04 1.41 1.36 1lw5A1 ASP 81 H 0.21 -0.01 -0.54 -0.55 8.40 7.52 1lw5A1 ASP 81 HA 0.08 0.33 0.89 -0.75 4.63 5.17 1lw5A1 ASP 81 HB2 0.19 -0.09 -0.02 -0.04 2.71 2.75 1lw5A1 ASP 81 HB3 -0.04 -0.08 0.13 -0.04 2.70 2.66 1lw5A1 SER 82 H 0.32 0.59 -0.15 -0.55 8.46 8.67 1lw5A1 SER 82 HA 0.04 0.04 0.65 -0.75 4.49 4.45 1lw5A1 SER 82 HB2 0.16 -0.08 0.09 -0.04 3.95 4.08 1lw5A1 SER 82 HB3 0.18 0.01 0.12 -0.04 3.93 4.20 1lw5A1 HIS 83 H 0.19 0.14 0.17 -0.55 8.41 8.37 1lw5A1 HIS 83 HA 0.20 0.09 0.37 -0.75 4.63 4.54 1lw5A1 HIS 83 HB2 0.11 -0.02 0.15 -0.04 3.26 3.46 1lw5A1 HIS 83 HB3 0.11 0.02 0.06 -0.04 3.20 3.34 1lw5A1 HIS 83 HD2 0.14 -0.01 -0.00 -0.04 6.97 7.06 1lw5A1 HIS 83 HE1 0.11 0.10 -0.12 -0.04 7.75 7.80 1lw5A1 ILE 84 H 0.25 0.05 -0.21 -0.55 8.25 7.79 1lw5A1 ILE 84 HA 0.21 0.09 0.26 -0.75 4.18 3.99 1lw5A1 ILE 84 HB 0.18 -0.06 -0.07 -0.04 1.89 1.91 1lw5A1 ILE 84 HG12 0.16 0.07 -0.07 -0.04 1.49 1.61 1lw5A1 ILE 84 HG13 0.19 -0.16 -0.03 -0.04 1.21 1.17 1lw5A1 ILE 84 HG23 0.14 0.05 -0.24 -0.04 0.93 0.83 1lw5A1 ILE 84 HD13 0.18 0.03 -0.11 -0.04 0.88 0.94 1lw5A1 PHE 85 H 0.32 0.07 -0.47 -0.55 8.34 7.71 1lw5A1 PHE 85 HA -0.02 0.17 0.52 -0.75 4.62 4.53 1lw5A1 PHE 85 HB2 0.08 -0.07 -0.08 -0.04 3.15 3.04 1lw5A1 PHE 85 HB3 0.21 0.05 -0.03 -0.04 3.06 3.25 1lw5A1 PHE 85 HD2 -0.01 0.05 -0.06 -0.04 7.28 7.22 1lw5A1 PHE 85 HE2 -0.14 0.04 -0.00 -0.04 7.38 7.24 1lw5A1 PHE 85 HZ -0.14 0.01 -0.01 -0.04 7.32 7.14 1lw5A1 TRP 86 H 0.19 0.29 -0.09 -0.55 7.97 7.82 1lw5A1 TRP 86 HA -0.49 0.23 0.82 -0.75 4.62 4.44 1lw5A1 TRP 86 HB2 -0.77 -0.05 -0.03 -0.04 3.23 2.34 1lw5A1 TRP 86 HB3 -1.36 -0.01 -0.10 -0.04 3.23 1.72 1lw5A1 TRP 86 HD1 0.10 0.00 -0.18 -0.04 7.22 7.10 1lw5A1 TRP 86 HE1 0.20 0.60 0.26 -0.04 10.20 11.21 1lw5A1 TRP 86 HE3 -0.29 -0.01 -0.02 -0.04 7.59 7.23 1lw5A1 TRP 86 HZ2 0.04 0.00 0.00 -0.04 7.44 7.45 1lw5A1 TRP 86 HZ3 -0.03 -0.01 0.00 -0.04 7.13 7.05 1lw5A1 TRP 86 HH2 -0.00 -0.02 0.00 -0.04 7.19 7.12 1lw5A1 TYR 87 H -0.22 0.53 0.12 -0.55 8.29 8.17 1lw5A1 TYR 87 HA -0.08 0.26 1.04 -0.75 4.56 5.02 1lw5A1 TYR 87 HB2 -1.27 -0.04 0.09 -0.04 3.06 1.80 1lw5A1 TYR 87 HB3 -0.25 0.01 0.18 -0.04 2.98 2.88 1lw5A1 TYR 87 HD2 -0.19 -0.01 -0.05 -0.04 7.15 6.87 1lw5A1 TYR 87 HE2 0.01 -0.02 -0.06 -0.04 6.85 6.74 1lw5A1 GLU 88 H -0.02 0.24 -0.29 -0.55 8.60 7.98 1lw5A1 GLU 88 HA 0.09 0.26 0.98 -0.75 4.29 4.87 1lw5A1 GLU 88 HB2 0.08 0.24 0.12 -0.04 2.09 2.50 1lw5A1 GLU 88 HB3 0.09 -0.01 0.17 -0.04 1.99 2.20 1lw5A1 GLU 88 HG2 0.29 0.07 -0.23 -0.04 2.34 2.42 1lw5A1 GLU 88 HG3 0.28 0.09 -0.43 -0.04 2.34 2.24 1lw5A1 VAL 89 H 0.01 0.17 -0.32 -0.55 8.24 7.55 1lw5A1 VAL 89 HA -0.03 0.06 0.23 -0.75 4.13 3.65 1lw5A1 VAL 89 HB 0.00 0.08 -0.04 -0.04 2.12 2.12 1lw5A1 VAL 89 HG13 -0.01 0.01 0.05 -0.04 0.97 0.98 1lw5A1 VAL 89 HG23 0.02 -0.01 -0.23 -0.04 0.95 0.69 1lw5A1 GLY 90 H -0.06 0.04 -0.49 -0.55 8.43 7.38 1lw5A1 GLY 90 HA2 -0.06 0.07 0.28 -0.51 4.01 3.78 1lw5A1 GLY 90 HA3 -0.06 0.06 0.40 -0.51 4.01 3.90 1lw5A1 ALA 91 H 0.00 0.59 -0.23 -0.55 8.40 8.22 1lw5A1 ALA 91 HA -0.00 0.03 0.21 -0.75 4.34 3.83 1lw5A1 ALA 91 HB3 0.02 0.00 0.10 -0.04 1.41 1.49 1lw5A1 ALA 93 HA 0.01 0.05 0.35 -0.75 4.34 4.00 1lw5A1 ALA 93 HB3 0.00 0.01 0.07 -0.04 1.41 1.46 1lw5A1 VAL 94 H -0.00 0.41 -0.68 -0.55 8.24 7.42 1lw5A1 VAL 94 HA -0.00 0.04 0.50 -0.75 4.13 3.92 1lw5A1 VAL 94 HB -0.01 0.00 0.09 -0.04 2.12 2.17 1lw5A1 VAL 94 HG13 -0.01 -0.02 -0.11 -0.04 0.97 0.80 1lw5A1 VAL 94 HG23 -0.01 0.03 -0.02 -0.04 0.95 0.90 1lw5A1 LEU 95 H 0.00 0.75 0.27 -0.55 8.37 8.84 1lw5A1 LEU 95 HA -0.01 0.08 0.50 -0.75 4.35 4.17 1lw5A1 LEU 95 HB2 0.00 0.05 0.14 -0.04 1.64 1.79 1lw5A1 LEU 95 HB3 -0.01 0.03 -0.05 -0.04 1.64 1.57 1lw5A1 LEU 95 HG -0.01 0.03 0.01 -0.04 1.64 1.63 1lw5A1 LEU 95 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.89 1lw5A1 LEU 95 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.80 1lw5A1 SER 96 H 0.01 0.12 -0.16 -0.55 8.46 7.88 1lw5A1 SER 96 HA 0.01 0.27 0.78 -0.75 4.49 4.80 1lw5A1 SER 96 HB2 0.02 -0.06 -0.16 -0.04 3.95 3.71 1lw5A1 SER 96 HB3 0.02 0.01 -0.16 -0.04 3.93 3.76 1lw5A1 GLY 97 H 0.01 0.21 -0.35 -0.55 8.43 7.75 1lw5A1 GLY 97 HA2 0.01 0.31 0.38 -0.51 4.01 4.20 1lw5A1 GLY 97 HA3 0.01 -0.05 0.42 -0.51 4.01 3.88 1lw5A1 VAL 98 H 0.02 0.05 -0.30 -0.55 8.24 7.46 1lw5A1 VAL 98 HA 0.03 0.32 0.79 -0.75 4.13 4.50 1lw5A1 VAL 98 HB 0.03 0.04 -0.20 -0.04 2.12 1.96 1lw5A1 VAL 98 HG13 0.03 0.02 -0.34 -0.04 0.97 0.64 1lw5A1 VAL 98 HG23 0.04 -0.03 -0.20 -0.04 0.95 0.71 1lw5A1 PRO 100 HA 0.02 0.01 0.29 -0.51 4.44 4.25 1lw5A1 PRO 100 HB2 -0.16 -0.07 -0.07 -0.04 2.28 1.95 1lw5A1 PRO 100 HB3 0.17 -0.04 -0.00 -0.04 2.02 2.10 1lw5A1 PRO 100 HG2 0.14 -0.01 0.10 -0.04 2.03 2.21 1lw5A1 PRO 100 HG3 0.40 -0.02 0.09 -0.04 2.03 2.45 1lw5A1 PRO 100 HD2 0.06 -0.01 -0.02 -0.04 3.68 3.67 1lw5A1 PRO 100 HD3 0.09 0.08 0.94 -0.04 3.65 4.72 1lw5A1 HIS 101 H 0.01 0.61 0.16 -0.55 8.41 8.65 1lw5A1 HIS 101 HA -0.11 0.22 0.88 -0.75 4.63 4.87 1lw5A1 HIS 101 HB2 -0.07 -0.01 -0.12 -0.04 3.26 3.02 1lw5A1 HIS 101 HB3 -0.08 -0.11 0.05 -0.04 3.20 3.02 1lw5A1 HIS 101 HD2 -0.10 0.14 -0.45 -0.04 6.97 6.52 1lw5A1 HIS 101 HE1 -0.12 0.03 0.04 -0.04 7.75 7.66 1lw5A1 PRO 102 HA -0.21 0.14 0.39 -0.51 4.44 4.24 1lw5A1 PRO 102 HB2 -0.14 0.00 0.03 -0.04 2.28 2.14 1lw5A1 PRO 102 HB3 -0.35 -0.05 0.00 -0.04 2.02 1.57 1lw5A1 PRO 102 HG2 -0.38 0.04 0.01 -0.04 2.03 1.65 1lw5A1 PRO 102 HG3 -1.37 -0.00 -0.07 -0.04 2.03 0.55 1lw5A1 PRO 102 HD2 -0.17 0.11 0.10 -0.04 3.68 3.68 1lw5A1 PRO 102 HD3 -0.22 0.32 -0.48 -0.04 3.65 3.23 1lw5A1 VAL 103 H -0.05 0.45 0.35 -0.55 8.24 8.44 1lw5A1 VAL 103 HA -0.01 0.22 0.86 -0.75 4.13 4.45 1lw5A1 VAL 103 HB -0.05 -0.11 0.02 -0.04 2.12 1.94 1lw5A1 VAL 103 HG13 -0.05 0.06 -0.17 -0.04 0.97 0.76 1lw5A1 VAL 103 HG23 -0.12 0.06 -0.12 -0.04 0.95 0.73 1lw5A1 PRO 104 HA 0.02 -0.10 0.49 -0.51 4.44 4.34 1lw5A1 PRO 104 HB2 -0.00 0.03 -0.01 -0.04 2.28 2.27 1lw5A1 PRO 104 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 1lw5A1 PRO 104 HG2 -0.01 0.04 -0.00 -0.04 2.03 2.02 1lw5A1 PRO 104 HG3 0.00 0.05 0.04 -0.04 2.03 2.08 1lw5A1 PRO 104 HD2 -0.01 0.16 0.20 -0.04 3.68 3.99 1lw5A1 PRO 104 HD3 0.01 0.17 0.09 -0.04 3.65 3.87 1lw5A1 GLY 105 H -0.03 0.16 0.19 -0.55 8.43 8.21 1lw5A1 GLY 105 HA2 -0.05 0.39 0.47 -0.51 4.01 4.31 1lw5A1 GLY 105 HA3 -0.08 -0.11 0.10 -0.51 4.01 3.42 1lw5A1 LYS 106 H -0.06 0.76 0.15 -0.55 8.42 8.71 1lw5A1 LYS 106 HA -0.06 0.12 0.82 -0.75 4.32 4.45 1lw5A1 ASN 107 H -0.11 0.24 0.07 -0.55 8.53 8.18 1lw5A1 ASN 107 HA -0.15 0.02 0.29 -0.75 4.76 4.17 1lw5A1 ASN 107 HB2 -0.06 0.17 -0.09 -0.04 2.88 2.86 1lw5A1 ASN 107 HB3 -0.04 -0.03 0.15 -0.04 2.79 2.83 1lw5A1 ASN 107 HD21 -0.02 0.04 -0.02 -0.04 7.03 6.98 1lw5A1 ASN 107 HD22 -0.03 0.03 -0.09 -0.04 7.74 7.61 1lw5A1 GLY 108 H -0.46 0.09 -0.39 -0.55 8.43 7.12 1lw5A1 GLY 108 HA2 -0.57 -0.08 0.24 -0.51 4.01 3.09 1lw5A1 GLY 108 HA3 -0.23 0.16 0.53 -0.51 4.01 3.96 1lw5A1 ALA 109 H -0.11 0.51 -0.67 -0.55 8.40 7.57 1lw5A1 ALA 109 HA -0.04 0.22 0.60 -0.75 4.34 4.36 1lw5A1 ALA 109 HB3 -0.04 0.04 0.08 -0.04 1.41 1.45 1lw5A1 ASP 111 HA -0.03 0.01 0.14 -0.75 4.63 4.00 1lw5A1 ASP 111 HB2 -0.03 0.07 0.16 -0.04 2.71 2.87 1lw5A1 ASP 111 HB3 -0.03 -0.07 0.16 -0.04 2.70 2.72 1lw5A1 PRO 112 HA -0.03 0.10 0.43 -0.51 4.44 4.42 1lw5A1 PRO 112 HB2 -0.02 -0.00 0.04 -0.04 2.28 2.25 1lw5A1 PRO 112 HB3 -0.03 0.09 -0.01 -0.04 2.02 2.03 1lw5A1 PRO 112 HG2 -0.03 0.03 0.07 -0.04 2.03 2.06 1lw5A1 PRO 112 HG3 -0.03 0.11 0.09 -0.04 2.03 2.16 1lw5A1 PRO 112 HD2 -0.03 0.07 0.15 -0.04 3.68 3.84 1lw5A1 PRO 112 HD3 -0.03 0.14 0.12 -0.04 3.65 3.84 1lw5A1 ASP 113 H -0.02 0.09 -0.31 -0.55 8.40 7.61 1lw5A1 ASP 113 HA -0.02 0.10 0.42 -0.75 4.63 4.37 1lw5A1 ASP 113 HB2 -0.02 -0.01 0.01 -0.04 2.71 2.64 1lw5A1 ASP 113 HB3 -0.02 0.05 -0.02 -0.04 2.70 2.67 1lw5A1 ASP 114 H -0.03 0.27 -0.19 -0.55 8.40 7.90 1lw5A1 ASP 114 HA -0.04 0.05 0.48 -0.75 4.63 4.36 1lw5A1 ASP 114 HB2 -0.04 0.24 0.12 -0.04 2.71 2.98 1lw5A1 ASP 114 HB3 -0.04 0.01 0.02 -0.04 2.70 2.64 1lw5A1 VAL 115 H -0.05 0.33 -0.25 -0.55 8.24 7.72 1lw5A1 VAL 115 HA -0.12 0.06 0.40 -0.75 4.13 3.73 1lw5A1 VAL 115 HB -0.05 0.15 0.17 -0.04 2.12 2.35 1lw5A1 VAL 115 HG13 -0.07 -0.00 -0.14 -0.04 0.97 0.71 1lw5A1 VAL 115 HG23 -0.05 0.03 -0.06 -0.04 0.95 0.83 1lw5A1 ARG 116 H -0.05 0.42 -0.07 -0.55 8.46 8.21 1lw5A1 ARG 116 HA -0.10 0.05 0.35 -0.75 4.34 3.89 1lw5A1 LYS 117 H -0.07 0.26 -0.44 -0.55 8.42 7.62 1lw5A1 LYS 117 HA -0.06 0.07 0.52 -0.75 4.32 4.10 1lw5A1 ALA 118 H -0.16 0.34 -0.37 -0.55 8.40 7.66 1lw5A1 ALA 118 HA -0.21 0.05 0.55 -0.75 4.34 3.98 1lw5A1 ALA 118 HB3 -0.61 -0.00 0.09 -0.04 1.41 0.84 1lw5A1 ILE 119 H -0.18 0.22 -0.36 -0.55 8.25 7.37 1lw5A1 ILE 119 HA -0.16 -0.06 0.45 -0.75 4.18 3.65 1lw5A1 ILE 119 HB -0.27 0.13 0.09 -0.04 1.89 1.79 1lw5A1 ILE 119 HG12 -0.20 -0.05 -0.04 -0.04 1.49 1.15 1lw5A1 ILE 119 HG13 -0.21 0.16 0.02 -0.04 1.21 1.13 1lw5A1 ILE 119 HG23 -0.29 0.00 -0.13 -0.04 0.93 0.47 1lw5A1 ILE 119 HD13 -0.49 -0.02 -0.06 -0.04 0.88 0.27 1lw5A1 ARG 120 H -0.06 0.01 0.20 -0.55 8.46 8.05 1lw5A1 ARG 120 HA -0.12 0.12 0.52 -0.75 4.34 4.10 1lw5A1 ARG 120 HB2 0.03 -0.10 0.19 -0.04 1.90 1.98 1lw5A1 ARG 120 HB3 0.03 0.07 0.07 -0.04 1.80 1.93 1lw5A1 ARG 120 HG2 -0.00 -0.02 0.08 -0.04 1.67 1.69 1lw5A1 ARG 120 HG3 0.02 0.05 0.00 -0.04 1.67 1.70 1lw5A1 ARG 120 HD2 -0.46 -0.03 0.04 -0.04 3.22 2.73 1lw5A1 ARG 120 HD3 -0.13 0.08 -0.07 -0.04 3.22 3.06 1lw5A1 PRO 121 HA 0.08 0.08 0.52 -0.51 4.44 4.61 1lw5A1 PRO 121 HB2 0.14 -0.00 0.01 -0.04 2.28 2.39 1lw5A1 PRO 121 HB3 0.08 0.03 0.09 -0.04 2.02 2.18 1lw5A1 PRO 121 HG2 0.52 -0.04 -0.05 -0.04 2.03 2.43 1lw5A1 PRO 121 HG3 0.17 -0.01 0.04 -0.04 2.03 2.19 1lw5A1 PRO 121 HD2 -0.24 0.05 0.22 -0.04 3.68 3.67 1lw5A1 PRO 121 HD3 -0.05 0.26 0.18 -0.04 3.65 4.00 1lw5A1 ARG 122 H 0.09 0.08 0.14 -0.55 8.46 8.21 1lw5A1 ARG 122 HA 0.10 0.16 0.53 -0.75 4.34 4.37 1lw5A1 ASN 123 H 0.07 0.47 0.21 -0.55 8.53 8.74 1lw5A1 ASN 123 HA -0.04 0.02 0.53 -0.75 4.76 4.52 1lw5A1 ASN 123 HB2 -0.08 0.15 -0.21 -0.04 2.88 2.70 1lw5A1 ASN 123 HB3 -0.56 0.07 -0.07 -0.04 2.79 2.18 1lw5A1 ASN 123 HD21 -0.07 -0.03 0.04 -0.04 7.03 6.92 1lw5A1 ASN 123 HD22 -0.08 0.09 0.06 -0.04 7.74 7.78 1lw5A1 ILE 124 H -0.07 0.12 0.13 -0.55 8.25 7.89 1lw5A1 ILE 124 HA -0.06 0.14 0.36 -0.75 4.18 3.86 1lw5A1 ILE 124 HB -0.08 -0.03 0.14 -0.04 1.89 1.88 1lw5A1 ILE 124 HG12 -0.15 0.05 -0.02 -0.04 1.49 1.32 1lw5A1 ILE 124 HG13 -0.08 0.04 0.09 -0.04 1.21 1.22 1lw5A1 ILE 124 HG23 -0.27 -0.00 -0.06 -0.04 0.93 0.56 1lw5A1 ILE 124 HD13 -0.09 -0.01 0.01 -0.04 0.88 0.74 1lw5A1 HIS 125 H -0.13 -0.04 -0.30 -0.55 8.41 7.40 1lw5A1 HIS 125 HA -0.09 0.09 0.47 -0.75 4.63 4.34 1lw5A1 HIS 125 HB2 -0.78 -0.00 -0.02 -0.04 3.26 2.41 1lw5A1 HIS 125 HB3 -0.11 0.03 0.02 -0.04 3.20 3.10 1lw5A1 HIS 125 HD2 -0.04 0.02 0.01 -0.04 6.97 6.92 1lw5A1 HIS 125 HE1 -0.09 -0.02 -0.00 -0.04 7.75 7.59 1lw5A1 PHE 126 H -0.15 0.25 -0.24 -0.55 8.34 7.65 1lw5A1 PHE 126 HA 0.05 0.20 0.99 -0.75 4.62 5.10 1lw5A1 PHE 126 HB2 0.04 0.09 0.08 -0.04 3.15 3.31 1lw5A1 PHE 126 HB3 0.03 0.09 0.08 -0.04 3.06 3.22 1lw5A1 PHE 126 HD2 0.04 0.22 -0.20 -0.04 7.28 7.30 1lw5A1 PHE 126 HE2 -0.01 -0.03 -0.07 -0.04 7.38 7.24 1lw5A1 PHE 126 HZ -0.04 -0.05 -0.03 -0.04 7.32 7.16 1lw5A1 PRO 127 HA 0.07 0.09 0.48 -0.51 4.44 4.58 1lw5A1 PRO 127 HB2 0.06 -0.13 -0.13 -0.04 2.28 2.04 1lw5A1 PRO 127 HB3 0.05 0.61 0.18 -0.04 2.02 2.83 1lw5A1 PRO 127 HG2 0.05 -0.02 0.04 -0.04 2.03 2.06 1lw5A1 PRO 127 HG3 0.07 0.05 0.08 -0.04 2.03 2.18 1lw5A1 PRO 127 HD2 0.10 0.04 0.19 -0.04 3.68 3.97 1lw5A1 PRO 127 HD3 0.19 0.15 0.29 -0.04 3.65 4.23 1lw5A1 ARG 128 H 0.05 0.17 0.15 -0.55 8.46 8.28 1lw5A1 ARG 128 HA 0.06 0.19 0.74 -0.75 4.34 4.58 1lw5A1 ARG 128 HB2 0.05 0.01 0.05 -0.04 1.90 1.96 1lw5A1 ARG 128 HB3 0.04 -0.05 0.11 -0.04 1.80 1.86 1lw5A1 ARG 128 HG2 0.04 0.13 -0.16 -0.04 1.67 1.64 1lw5A1 ARG 128 HG3 0.04 -0.03 -0.01 -0.04 1.67 1.63 1lw5A1 ARG 128 HD2 0.03 -0.06 -0.03 -0.04 3.22 3.12 1lw5A1 ARG 128 HD3 0.03 -0.07 -0.16 -0.04 3.22 2.99 1lw5A1 THR 129 H 0.02 0.23 0.18 -0.55 8.28 8.16 1lw5A1 THR 129 HA 0.01 0.10 0.66 -0.75 4.39 4.40 1lw5A1 THR 129 HB -0.05 0.05 0.22 -0.04 4.32 4.51 1lw5A1 THR 129 HG23 -0.06 -0.01 -0.09 -0.04 1.22 1.02 1lw5A1 SER 130 H 0.01 0.34 0.40 -0.55 8.46 8.66 1lw5A1 SER 130 HA 0.01 0.26 1.05 -0.75 4.49 5.05 1lw5A1 SER 130 HB2 0.04 0.09 0.23 -0.04 3.95 4.26 1lw5A1 SER 130 HB3 0.03 -0.02 -0.02 -0.04 3.93 3.88 1lw5A1 LEU 131 H -0.01 0.22 0.25 -0.55 8.37 8.28 1lw5A1 LEU 131 HA -0.08 0.30 0.77 -0.75 4.35 4.58 1lw5A1 LEU 131 HB2 -0.02 0.16 -0.29 -0.04 1.64 1.45 1lw5A1 LEU 131 HB3 0.01 -0.08 -0.07 -0.04 1.64 1.46 1lw5A1 LEU 131 HG -0.01 -0.06 -0.43 -0.04 1.64 1.10 1lw5A1 LEU 131 HD13 -0.26 0.03 -0.25 -0.04 0.93 0.42 1lw5A1 LEU 131 HD23 0.05 -0.01 -0.23 -0.04 0.89 0.67 1lw5A1 ILE 132 H -0.06 0.56 0.27 -0.55 8.25 8.47 1lw5A1 ILE 132 HA -0.03 0.22 0.96 -0.75 4.18 4.58 1lw5A1 ILE 132 HB -0.03 0.03 0.12 -0.04 1.89 1.97 1lw5A1 ILE 132 HG12 -0.06 0.00 -0.04 -0.04 1.49 1.35 1lw5A1 ILE 132 HG13 -0.05 -0.02 -0.40 -0.04 1.21 0.70 1lw5A1 ILE 132 HG23 -0.03 -0.03 -0.18 -0.04 0.93 0.66 1lw5A1 ILE 132 HD13 -0.05 0.00 -0.13 -0.04 0.88 0.67 1lw5A1 ALA 133 H 0.02 0.73 0.33 -0.55 8.40 8.94 1lw5A1 ALA 133 HA 0.07 0.38 1.13 -0.75 4.34 5.16 1lw5A1 ALA 133 HB3 0.12 -0.04 -0.02 -0.04 1.41 1.44 1lw5A1 ILE 134 H 0.00 0.68 0.45 -0.55 8.25 8.83 1lw5A1 ILE 134 HA 0.03 0.11 0.94 -0.75 4.18 4.51 1lw5A1 ILE 134 HB -0.02 0.02 0.05 -0.04 1.89 1.89 1lw5A1 ILE 134 HG12 -0.00 0.03 -0.13 -0.04 1.49 1.34 1lw5A1 ILE 134 HG13 -0.00 -0.02 -0.52 -0.04 1.21 0.63 1lw5A1 ILE 134 HG23 -0.01 -0.00 -0.16 -0.04 0.93 0.71 1lw5A1 ILE 134 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.74 1lw5A1 GLU 135 H 0.07 0.22 0.18 -0.55 8.60 8.52 1lw5A1 GLU 135 HA 0.00 0.29 1.00 -0.75 4.29 4.83 1lw5A1 GLU 135 HB2 0.09 -0.08 0.08 -0.04 2.09 2.14 1lw5A1 GLU 135 HB3 0.16 -0.04 0.21 -0.04 1.99 2.27 1lw5A1 GLU 135 HG2 0.01 0.22 -0.12 -0.04 2.34 2.41 1lw5A1 GLU 135 HG3 0.02 0.08 0.12 -0.04 2.34 2.52 1lw5A1 ASN 136 H -0.06 0.41 0.13 -0.55 8.53 8.46 1lw5A1 ASN 136 HA -0.04 0.13 1.12 -0.75 4.76 5.23 1lw5A1 ASN 136 HB2 -0.21 0.03 -0.11 -0.04 2.88 2.55 1lw5A1 ASN 136 HB3 -0.26 -0.03 0.04 -0.04 2.79 2.51 1lw5A1 ASN 136 HD21 -0.38 0.13 -0.05 -0.04 7.03 6.70 1lw5A1 ASN 136 HD22 -0.89 0.01 -0.08 -0.04 7.74 6.75 1lw5A1 THR 137 H 0.01 0.15 0.04 -0.55 8.28 7.92 1lw5A1 THR 137 HA 0.02 0.28 0.10 -0.75 4.39 4.03 1lw5A1 THR 137 HB 0.02 -0.00 -0.03 -0.04 4.32 4.27 1lw5A1 THR 137 HG23 0.01 0.05 -0.10 -0.04 1.22 1.14 1lw5A1 HIS 138 H 0.12 0.60 0.16 -0.55 8.41 8.75 1lw5A1 HIS 138 HA 0.01 0.03 0.57 -0.75 4.63 4.49 1lw5A1 HIS 138 HB2 -0.01 0.19 0.02 -0.04 3.26 3.43 1lw5A1 HIS 138 HB3 -0.01 -0.02 -0.05 -0.04 3.20 3.08 1lw5A1 HIS 138 HD2 0.02 0.09 0.03 -0.04 6.97 7.06 1lw5A1 HIS 138 HE1 -0.06 0.11 -0.11 -0.04 7.75 7.64 1lw5A1 ASN 139 H -0.20 0.16 0.08 -0.55 8.53 8.02 1lw5A1 ASN 139 HA -0.03 0.12 0.37 -0.75 4.76 4.46 1lw5A1 ASN 139 HB2 -0.02 0.02 0.13 -0.04 2.88 2.97 1lw5A1 ASN 139 HB3 -0.03 -0.07 0.15 -0.04 2.79 2.80 1lw5A1 ASN 139 HD21 0.03 0.06 -0.04 -0.04 7.03 7.04 1lw5A1 ASN 139 HD22 0.08 -0.05 -0.01 -0.04 7.74 7.72 1lw5A1 ARG 140 H -0.28 0.14 0.04 -0.55 8.46 7.81 1lw5A1 ARG 140 HA -0.06 0.13 0.33 -0.75 4.34 3.99 1lw5A1 ARG 140 HB2 -0.18 0.06 0.12 -0.04 1.90 1.87 1lw5A1 ARG 140 HB3 -0.17 0.03 -0.00 -0.04 1.80 1.62 1lw5A1 ARG 140 HG2 -0.15 0.04 0.03 -0.04 1.67 1.54 1lw5A1 ARG 140 HG3 -0.07 -0.12 0.04 -0.04 1.67 1.48 1lw5A1 ARG 140 HD2 -0.99 -0.02 -0.09 -0.04 3.22 2.07 1lw5A1 ARG 140 HD3 -0.66 0.27 -0.01 -0.04 3.22 2.78 1lw5A1 SER 141 H 0.36 -0.01 -0.51 -0.55 8.46 7.75 1lw5A1 SER 141 HA 0.05 0.15 0.48 -0.75 4.49 4.41 1lw5A1 SER 141 HB2 0.02 0.05 0.12 -0.04 3.95 4.10 1lw5A1 SER 141 HB3 0.06 -0.11 -0.01 -0.04 3.93 3.83 1lw5A1 GLY 142 H 0.03 0.45 -0.44 -0.55 8.43 7.93 1lw5A1 GLY 142 HA2 -0.00 0.05 0.21 -0.51 4.01 3.76 1lw5A1 GLY 142 HA3 0.00 0.17 0.78 -0.51 4.01 4.44 1lw5A1 GLY 143 H 0.02 0.28 0.22 -0.55 8.43 8.41 1lw5A1 GLY 143 HA2 0.01 -0.05 0.09 -0.51 4.01 3.55 1lw5A1 GLY 143 HA3 -0.01 -0.00 0.39 -0.51 4.01 3.88 1lw5A1 ARG 144 H 0.07 0.16 -0.08 -0.55 8.46 8.05 1lw5A1 ARG 144 HA 0.00 0.22 0.62 -0.75 4.34 4.43 1lw5A1 ARG 144 HB2 0.03 -0.10 -0.01 -0.04 1.90 1.78 1lw5A1 ARG 144 HB3 0.00 0.09 0.04 -0.04 1.80 1.89 1lw5A1 ARG 144 HG2 0.02 0.00 -0.34 -0.04 1.67 1.32 1lw5A1 ARG 144 HG3 -0.00 -0.06 -0.01 -0.04 1.67 1.56 1lw5A1 ARG 144 HD2 -0.01 -0.04 0.04 -0.04 3.22 3.17 1lw5A1 ARG 144 HD3 -0.01 0.07 -0.17 -0.04 3.22 3.07 1lw5A1 VAL 145 H 0.01 0.24 0.15 -0.55 8.24 8.09 1lw5A1 VAL 145 HA 0.01 -0.01 0.81 -0.75 4.13 4.20 1lw5A1 VAL 145 HB 0.03 0.03 0.09 -0.04 2.12 2.23 1lw5A1 VAL 145 HG13 0.08 -0.00 -0.22 -0.04 0.97 0.79 1lw5A1 VAL 145 HG23 0.04 0.01 -0.07 -0.04 0.95 0.89 1lw5A1 VAL 146 H -0.01 0.03 0.13 -0.55 8.24 7.84 1lw5A1 VAL 146 HA -0.00 0.18 0.56 -0.75 4.13 4.11 1lw5A1 VAL 146 HB -0.03 -0.06 0.05 -0.04 2.12 2.04 1lw5A1 VAL 146 HG13 -0.00 0.02 -0.18 -0.04 0.97 0.77 1lw5A1 VAL 146 HG23 -0.00 -0.01 -0.05 -0.04 0.95 0.85 1lw5A1 PRO 147 HA 0.06 0.08 0.41 -0.51 4.44 4.48 1lw5A1 PRO 147 HB2 0.00 -0.17 0.10 -0.04 2.28 2.17 1lw5A1 PRO 147 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 1lw5A1 PRO 147 HG2 -0.00 0.04 0.11 -0.04 2.03 2.14 1lw5A1 PRO 147 HG3 0.01 0.14 0.11 -0.04 2.03 2.25 1lw5A1 PRO 147 HD2 -0.00 0.02 0.20 -0.04 3.68 3.85 1lw5A1 PRO 147 HD3 0.00 0.37 0.37 -0.04 3.65 4.35 1lw5A1 LEU 148 H 0.07 0.21 0.17 -0.55 8.37 8.27 1lw5A1 LEU 148 HA 0.17 0.14 0.38 -0.75 4.35 4.29 1lw5A1 LEU 148 HB2 -0.02 0.07 0.09 -0.04 1.64 1.73 1lw5A1 LEU 148 HB3 -0.01 -0.03 0.09 -0.04 1.64 1.66 1lw5A1 LEU 148 HG -0.03 -0.04 -0.24 -0.04 1.64 1.30 1lw5A1 LEU 148 HD13 0.11 0.02 -0.07 -0.04 0.93 0.94 1lw5A1 LEU 148 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.78 1lw5A1 GLU 149 H -0.01 0.09 -0.21 -0.55 8.60 7.93 1lw5A1 GLU 149 HA -0.10 0.11 0.39 -0.75 4.29 3.94 1lw5A1 ASN 150 H -0.02 0.21 -0.37 -0.55 8.53 7.80 1lw5A1 ASN 150 HA -0.04 0.04 0.43 -0.75 4.76 4.43 1lw5A1 ASN 150 HB2 -0.02 -0.04 0.08 -0.04 2.88 2.86 1lw5A1 ASN 150 HB3 -0.01 0.23 0.05 -0.04 2.79 3.02 1lw5A1 ASN 150 HD21 -0.03 0.03 -0.01 -0.04 7.03 6.98 1lw5A1 ASN 150 HD22 -0.03 -0.02 0.04 -0.04 7.74 7.69 1lw5A1 ILE 151 H -0.01 0.35 -0.20 -0.55 8.25 7.83 1lw5A1 ILE 151 HA -0.02 0.04 0.41 -0.75 4.18 3.85 1lw5A1 ILE 151 HB 0.06 0.11 0.09 -0.04 1.89 2.11 1lw5A1 ILE 151 HG12 0.02 -0.03 -0.09 -0.04 1.49 1.35 1lw5A1 ILE 151 HG13 0.03 -0.01 -0.09 -0.04 1.21 1.10 1lw5A1 ILE 151 HG23 0.11 0.02 -0.11 -0.04 0.93 0.90 1lw5A1 ILE 151 HD13 0.10 -0.01 -0.12 -0.04 0.88 0.80 1lw5A1 LYS 152 H -0.21 0.46 -0.17 -0.55 8.42 7.95 1lw5A1 LYS 152 HA -0.83 0.10 0.43 -0.75 4.32 3.27 1lw5A1 GLU 153 H -0.12 0.56 -0.13 -0.55 8.60 8.36 1lw5A1 GLU 153 HA -0.07 0.03 0.45 -0.75 4.29 3.95 1lw5A1 GLU 153 HB2 -0.06 0.16 0.18 -0.04 2.09 2.32 1lw5A1 GLU 153 HB3 -0.04 0.00 0.03 -0.04 1.99 1.93 1lw5A1 GLU 153 HG2 -0.03 -0.01 0.08 -0.04 2.34 2.33 1lw5A1 GLU 153 HG3 -0.04 -0.01 0.04 -0.04 2.34 2.28 1lw5A1 ILE 154 H -0.06 0.47 -0.18 -0.55 8.25 7.93 1lw5A1 ILE 154 HA -0.02 0.01 0.48 -0.75 4.18 3.89 1lw5A1 ILE 154 HB -0.02 0.10 0.12 -0.04 1.89 2.04 1lw5A1 ILE 154 HG12 -0.03 -0.06 0.03 -0.04 1.49 1.38 1lw5A1 ILE 154 HG13 -0.03 0.14 0.11 -0.04 1.21 1.38 1lw5A1 ILE 154 HG23 -0.02 -0.00 -0.13 -0.04 0.93 0.74 1lw5A1 ILE 154 HD13 -0.03 -0.03 -0.08 -0.04 0.88 0.70 1lw5A1 CYS 155 H -0.04 0.51 -0.22 -0.55 8.50 8.20 1lw5A1 CYS 155 HA 0.03 0.04 0.41 -0.75 4.58 4.31 1lw5A1 CYS 155 HB2 0.09 0.21 0.23 -0.04 2.97 3.46 1lw5A1 CYS 155 HB3 0.01 0.09 0.22 -0.04 2.97 3.25 1lw5A1 THR 156 H -0.02 0.39 -0.21 -0.55 8.28 7.90 1lw5A1 THR 156 HA 0.02 0.01 0.39 -0.75 4.39 4.06 1lw5A1 THR 156 HB -0.01 0.14 0.16 -0.04 4.32 4.56 1lw5A1 THR 156 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.07 1lw5A1 ILE 157 H 0.01 0.41 -0.19 -0.55 8.25 7.92 1lw5A1 ILE 157 HA 0.06 -0.01 0.40 -0.75 4.18 3.88 1lw5A1 ILE 157 HB 0.02 0.14 0.16 -0.04 1.89 2.17 1lw5A1 ILE 157 HG12 0.04 -0.05 0.03 -0.04 1.49 1.46 1lw5A1 ILE 157 HG13 0.01 0.13 0.10 -0.04 1.21 1.41 1lw5A1 ILE 157 HG23 0.09 -0.01 -0.14 -0.04 0.93 0.82 1lw5A1 ILE 157 HD13 -0.01 -0.06 -0.01 -0.04 0.88 0.76 1lw5A1 ALA 158 H 0.03 0.53 -0.20 -0.55 8.40 8.21 1lw5A1 ALA 158 HA 0.06 -0.01 0.35 -0.75 4.34 3.99 1lw5A1 ALA 158 HB3 0.01 0.11 0.04 -0.04 1.41 1.53 1lw5A1 LYS 159 H 0.03 0.65 -0.05 -0.55 8.42 8.49 1lw5A1 LYS 159 HA 0.02 0.02 0.44 -0.75 4.32 4.04 1lw5A1 GLU 160 H -0.01 0.52 -0.18 -0.55 8.60 8.38 1lw5A1 GLU 160 HA -0.08 -0.02 0.42 -0.75 4.29 3.85 1lw5A1 GLU 160 HB2 -0.19 0.14 0.07 -0.04 2.09 2.07 1lw5A1 GLU 160 HB3 -0.20 -0.10 0.10 -0.04 1.99 1.75 1lw5A1 GLU 160 HG2 -0.05 -0.11 0.05 -0.04 2.34 2.18 1lw5A1 GLU 160 HG3 -0.02 0.66 0.19 -0.04 2.34 3.12 1lw5A1 HIS 161 H 0.06 0.32 -0.51 -0.55 8.41 7.74 1lw5A1 HIS 161 HA 0.00 0.13 0.91 -0.75 4.63 4.91 1lw5A1 HIS 161 HB2 -0.01 0.07 0.08 -0.04 3.26 3.36 1lw5A1 HIS 161 HB3 -0.00 -0.02 0.10 -0.04 3.20 3.23 1lw5A1 HIS 161 HD2 0.00 -0.02 0.02 -0.04 6.97 6.94 1lw5A1 HIS 161 HE1 -0.01 -0.09 -0.02 -0.04 7.75 7.59 1lw5A1 GLY 162 H 0.04 0.29 -0.11 -0.55 8.43 8.10 1lw5A1 GLY 162 HA2 0.03 -0.03 0.33 -0.51 4.01 3.82 1lw5A1 GLY 162 HA3 0.04 -0.02 0.44 -0.51 4.01 3.96 1lw5A1 ILE 163 H 0.05 0.54 -0.02 -0.55 8.25 8.27 1lw5A1 ILE 163 HA 0.01 0.20 0.81 -0.75 4.18 4.45 1lw5A1 ILE 163 HB 0.01 -0.11 -0.01 -0.04 1.89 1.74 1lw5A1 ILE 163 HG12 0.01 0.24 -0.12 -0.04 1.49 1.58 1lw5A1 ILE 163 HG13 0.08 0.00 -0.36 -0.04 1.21 0.89 1lw5A1 ILE 163 HG23 -0.03 0.02 -0.44 -0.04 0.93 0.44 1lw5A1 ILE 163 HD13 -0.07 -0.04 -0.10 -0.04 0.88 0.62 1lw5A1 ASN 164 H -0.05 0.51 0.19 -0.55 8.53 8.63 1lw5A1 ASN 164 HA -0.10 0.03 0.53 -0.75 4.76 4.48 1lw5A1 ASN 164 HB2 -0.34 0.11 0.20 -0.04 2.88 2.80 1lw5A1 ASN 164 HB3 -0.67 -0.11 0.08 -0.04 2.79 2.06 1lw5A1 ASN 164 HD21 0.12 -0.04 0.14 -0.04 7.03 7.21 1lw5A1 ASN 164 HD22 0.03 0.21 0.22 -0.04 7.74 8.16 1lw5A1 VAL 165 H -0.15 0.10 0.27 -0.55 8.24 7.91 1lw5A1 VAL 165 HA -0.07 0.32 1.15 -0.75 4.13 4.78 1lw5A1 VAL 165 HB -0.02 -0.14 0.25 -0.04 2.12 2.17 1lw5A1 VAL 165 HG13 -0.00 0.02 -0.12 -0.04 0.97 0.83 1lw5A1 VAL 165 HG23 -0.01 0.04 -0.13 -0.04 0.95 0.81 1lw5A1 HIS 166 H 0.03 0.70 0.38 -0.55 8.41 8.98 1lw5A1 HIS 166 HA -0.02 0.27 1.10 -0.75 4.63 5.23 1lw5A1 HIS 166 HB2 0.02 0.06 -0.13 -0.04 3.26 3.17 1lw5A1 HIS 166 HB3 0.01 -0.06 0.01 -0.04 3.20 3.12 1lw5A1 HIS 166 HD2 0.06 -0.13 -0.25 -0.04 6.97 6.61 1lw5A1 HIS 166 HE1 0.07 0.03 -0.16 -0.04 7.75 7.65 1lw5A1 ILE 167 H -0.35 0.65 0.33 -0.55 8.25 8.33 1lw5A1 ILE 167 HA -0.15 0.20 1.13 -0.75 4.18 4.61 1lw5A1 ILE 167 HB -0.11 0.04 0.18 -0.04 1.89 1.96 1lw5A1 ILE 167 HG12 -0.04 -0.04 -0.09 -0.04 1.49 1.28 1lw5A1 ILE 167 HG13 -0.03 0.03 -0.22 -0.04 1.21 0.94 1lw5A1 ILE 167 HG23 -0.11 -0.05 -0.29 -0.04 0.93 0.44 1lw5A1 ILE 167 HD13 0.04 0.01 -0.20 -0.04 0.88 0.69 1lw5A1 ASP 168 H -0.10 0.77 0.30 -0.55 8.40 8.81 1lw5A1 ASP 168 HA -0.08 0.16 0.65 -0.75 4.63 4.60 1lw5A1 ASP 168 HB2 0.09 0.06 0.04 -0.04 2.71 2.86 1lw5A1 ASP 168 HB3 0.02 -0.09 0.24 -0.04 2.70 2.83 1lw5A1 GLY 169 H -0.07 0.43 0.13 -0.55 8.43 8.37 1lw5A1 GLY 169 HA2 -0.05 0.16 0.89 -0.51 4.01 4.49 1lw5A1 GLY 169 HA3 -0.03 0.11 0.40 -0.51 4.01 3.98 1lw5A1 ALA 170 H -0.00 0.16 -0.33 -0.55 8.40 7.68 1lw5A1 ALA 170 HA 0.05 0.01 0.47 -0.75 4.34 4.12 1lw5A1 ALA 170 HB3 -0.03 0.02 0.04 -0.04 1.41 1.40 1lw5A1 ARG 171 H 0.02 0.17 -0.35 -0.55 8.46 7.75 1lw5A1 ARG 171 HA 0.13 0.24 0.91 -0.75 4.34 4.86 1lw5A1 ARG 171 HB2 0.04 0.13 0.12 -0.04 1.90 2.15 1lw5A1 ARG 171 HB3 0.08 -0.07 0.22 -0.04 1.80 2.00 1lw5A1 ARG 171 HG2 0.07 0.15 -0.12 -0.04 1.67 1.73 1lw5A1 ARG 171 HG3 0.03 -0.09 -0.22 -0.04 1.67 1.34 1lw5A1 ARG 171 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.13 1lw5A1 ARG 171 HD3 0.07 0.01 0.02 -0.04 3.22 3.27 1lw5A1 ILE 172 H 0.03 0.69 -0.11 -0.55 8.25 8.31 1lw5A1 ILE 172 HA -0.12 0.11 0.46 -0.75 4.18 3.87 1lw5A1 ILE 172 HB -0.08 -0.07 0.24 -0.04 1.89 1.94 1lw5A1 ILE 172 HG12 -0.04 0.08 0.01 -0.04 1.49 1.50 1lw5A1 ILE 172 HG13 -0.17 -0.05 0.01 -0.04 1.21 0.96 1lw5A1 ILE 172 HG23 -0.31 0.05 -0.01 -0.04 0.93 0.62 1lw5A1 ILE 172 HD13 -0.53 -0.01 0.02 -0.04 0.88 0.32 1lw5A1 PHE 173 H 0.10 0.19 -0.18 -0.55 8.34 7.90 1lw5A1 PHE 173 HA 0.04 0.09 0.53 -0.75 4.62 4.52 1lw5A1 PHE 173 HB2 0.05 0.02 0.08 -0.04 3.15 3.27 1lw5A1 PHE 173 HB3 0.01 0.06 0.03 -0.04 3.06 3.12 1lw5A1 PHE 173 HD2 0.01 -0.01 0.04 -0.04 7.28 7.29 1lw5A1 PHE 173 HE2 -0.30 0.02 -0.02 -0.04 7.38 7.03 1lw5A1 PHE 173 HZ -0.24 0.03 -0.04 -0.04 7.32 7.02 1lw5A1 ASN 174 H 0.18 0.16 -0.24 -0.55 8.53 8.09 1lw5A1 ASN 174 HA 0.22 0.09 0.42 -0.75 4.76 4.73 1lw5A1 ASN 174 HB2 0.14 0.17 0.15 -0.04 2.88 3.29 1lw5A1 ASN 174 HB3 0.26 -0.03 0.04 -0.04 2.79 3.02 1lw5A1 ASN 174 HD21 0.21 0.05 0.04 -0.04 7.03 7.30 1lw5A1 ASN 174 HD22 0.69 -0.00 0.03 -0.04 7.74 8.42 1lw5A1 ALA 175 H 0.08 0.34 -0.26 -0.55 8.40 8.01 1lw5A1 ALA 175 HA 0.09 0.02 0.34 -0.75 4.34 4.03 1lw5A1 ALA 175 HB3 -0.07 0.05 -0.02 -0.04 1.41 1.33 1lw5A1 SER 176 H 0.14 0.46 -0.19 -0.55 8.46 8.32 1lw5A1 SER 176 HA 0.23 0.03 0.42 -0.75 4.49 4.42 1lw5A1 SER 176 HB2 0.16 -0.02 0.12 -0.04 3.95 4.17 1lw5A1 SER 176 HB3 0.15 0.06 0.16 -0.04 3.93 4.25 1lw5A1 ILE 177 H 0.14 0.58 -0.17 -0.55 8.25 8.24 1lw5A1 ILE 177 HA 0.04 0.01 0.37 -0.75 4.18 3.85 1lw5A1 ILE 177 HB 0.01 0.07 0.12 -0.04 1.89 2.04 1lw5A1 ILE 177 HG12 0.08 0.21 0.07 -0.04 1.49 1.81 1lw5A1 ILE 177 HG13 -0.06 -0.07 -0.04 -0.04 1.21 1.01 1lw5A1 ILE 177 HG23 -0.13 -0.02 -0.15 -0.04 0.93 0.58 1lw5A1 ILE 177 HD13 -0.01 -0.02 -0.05 -0.04 0.88 0.76 1lw5A1 ALA 178 H 0.19 0.44 -0.21 -0.55 8.40 8.28 1lw5A1 ALA 178 HA 0.16 0.07 0.49 -0.75 4.34 4.30 1lw5A1 ALA 178 HB3 0.12 -0.01 0.11 -0.04 1.41 1.59 1lw5A1 SER 179 H 0.12 0.52 -0.03 -0.55 8.46 8.52 1lw5A1 SER 179 HA 0.05 0.13 0.67 -0.75 4.49 4.59 1lw5A1 SER 179 HB2 0.07 -0.10 0.06 -0.04 3.95 3.93 1lw5A1 SER 179 HB3 0.12 -0.02 0.06 -0.04 3.93 4.06 1lw5A1 GLY 180 H 0.05 0.68 -0.03 -0.55 8.43 8.59 1lw5A1 GLY 180 HA2 0.01 0.04 0.28 -0.51 4.01 3.83 1lw5A1 GLY 180 HA3 0.00 0.10 0.70 -0.51 4.01 4.30 1lw5A1 VAL 181 H -0.02 0.02 -0.20 -0.55 8.24 7.49 1lw5A1 VAL 181 HA -0.15 0.15 0.61 -0.75 4.13 3.98 1lw5A1 VAL 181 HB -0.46 -0.04 0.04 -0.04 2.12 1.62 1lw5A1 VAL 181 HG13 -0.72 0.03 -0.15 -0.04 0.97 0.09 1lw5A1 VAL 181 HG23 -0.12 -0.01 -0.08 -0.04 0.95 0.70 1lw5A1 PRO 182 HA -0.07 0.10 0.44 -0.51 4.44 4.39 1lw5A1 PRO 182 HB2 -0.11 -0.15 0.08 -0.04 2.28 2.06 1lw5A1 PRO 182 HB3 -0.08 0.08 0.12 -0.04 2.02 2.10 1lw5A1 PRO 182 HG2 -0.07 0.03 0.10 -0.04 2.03 2.05 1lw5A1 PRO 182 HG3 -0.06 0.13 0.08 -0.04 2.03 2.14 1lw5A1 PRO 182 HD2 -0.14 0.01 0.22 -0.04 3.68 3.73 1lw5A1 PRO 182 HD3 -0.10 0.37 0.39 -0.04 3.65 4.28 1lw5A1 VAL 183 H -0.13 0.21 0.17 -0.55 8.24 7.95 1lw5A1 VAL 183 HA 0.10 0.06 0.36 -0.75 4.13 3.89 1lw5A1 VAL 183 HB -0.72 0.02 0.02 -0.04 2.12 1.39 1lw5A1 VAL 183 HG13 -0.51 0.01 0.00 -0.04 0.97 0.44 1lw5A1 VAL 183 HG23 -0.70 0.04 -0.03 -0.04 0.95 0.23 1lw5A1 LYS 184 H -0.18 0.09 -0.22 -0.55 8.42 7.56 1lw5A1 LYS 184 HA -0.07 0.20 0.36 -0.75 4.32 4.06 1lw5A1 LYS 184 HB2 -0.09 -0.10 0.00 -0.04 1.87 1.63 1lw5A1 LYS 184 HB3 -0.07 0.04 -0.09 -0.04 1.79 1.63 1lw5A1 LYS 184 HG2 -0.07 -0.01 -0.25 -0.04 1.46 1.09 1lw5A1 LYS 184 HG3 -0.15 0.04 0.11 -0.04 1.46 1.42 1lw5A1 LYS 184 HD2 -0.05 0.09 0.00 -0.04 1.69 1.70 1lw5A1 LYS 184 HD3 -0.06 -0.11 -0.01 -0.04 1.68 1.47 1lw5A1 LYS 184 HE2 -0.04 -0.05 -0.07 -0.04 2.99 2.79 1lw5A1 LYS 184 HE3 -0.01 0.05 -0.09 -0.04 2.99 2.89 1lw5A1 GLU 185 H -0.12 0.18 -0.39 -0.55 8.60 7.72 1lw5A1 GLU 185 HA -0.13 0.07 0.37 -0.75 4.29 3.84 1lw5A1 GLU 185 HB2 -0.15 -0.03 0.10 -0.04 2.09 1.97 1lw5A1 GLU 185 HB3 -0.24 0.01 -0.05 -0.04 1.99 1.67 1lw5A1 GLU 185 HG2 -0.00 -0.01 -0.03 -0.04 2.34 2.26 1lw5A1 GLU 185 HG3 -0.08 0.00 0.01 -0.04 2.34 2.24 1lw5A1 TYR 186 H -0.06 0.30 -0.20 -0.55 8.29 7.78 1lw5A1 TYR 186 HA 0.13 -0.01 0.34 -0.75 4.56 4.26 1lw5A1 TYR 186 HB2 -0.00 0.12 0.12 -0.04 3.06 3.25 1lw5A1 TYR 186 HB3 0.04 -0.04 -0.09 -0.04 2.98 2.85 1lw5A1 TYR 186 HD2 -0.01 -0.01 -0.07 -0.04 7.15 7.02 1lw5A1 TYR 186 HE2 -0.00 0.01 -0.13 -0.04 6.85 6.69 1lw5A1 ALA 187 H 0.14 0.61 -0.14 -0.55 8.40 8.46 1lw5A1 ALA 187 HA 0.12 -0.06 0.26 -0.75 4.34 3.92 1lw5A1 ALA 187 HB3 0.19 0.01 0.06 -0.04 1.41 1.64 1lw5A1 GLY 188 H -0.08 0.50 -0.27 -0.55 8.43 8.03 1lw5A1 GLY 188 HA2 -0.10 0.04 0.37 -0.51 4.01 3.81 1lw5A1 GLY 188 HA3 -0.29 -0.03 0.29 -0.51 4.01 3.48 1lw5A1 TYR 189 H -0.02 0.41 -0.57 -0.55 8.29 7.56 1lw5A1 TYR 189 HA 0.01 0.10 0.72 -0.75 4.56 4.64 1lw5A1 TYR 189 HB2 0.05 0.11 0.01 -0.04 3.06 3.18 1lw5A1 TYR 189 HB3 0.02 -0.04 0.10 -0.04 2.98 3.02 1lw5A1 TYR 189 HD2 0.02 0.04 -0.01 -0.04 7.15 7.16 1lw5A1 TYR 189 HE2 -0.01 -0.06 -0.05 -0.04 6.85 6.69 1lw5A1 ALA 190 H 0.04 0.70 -0.29 -0.55 8.40 8.31 1lw5A1 ALA 190 HA 0.03 0.06 0.80 -0.75 4.34 4.48 1lw5A1 ALA 190 HB3 0.02 0.00 -0.11 -0.04 1.41 1.28 1lw5A1 ASP 191 H -0.04 0.37 0.38 -0.55 8.40 8.56 1lw5A1 ASP 191 HA -0.03 0.08 0.70 -0.75 4.63 4.63 1lw5A1 ASP 191 HB2 -0.14 0.08 0.27 -0.04 2.71 2.89 1lw5A1 ASP 191 HB3 -0.05 -0.06 0.12 -0.04 2.70 2.67 1lw5A1 SER 192 H -0.02 0.38 0.32 -0.55 8.46 8.59 1lw5A1 SER 192 HA -0.04 0.36 0.94 -0.75 4.49 5.00 1lw5A1 SER 192 HB2 0.13 0.02 0.09 -0.04 3.95 4.15 1lw5A1 SER 192 HB3 -0.97 -0.02 -0.11 -0.04 3.93 2.79 1lw5A1 VAL 193 H 0.06 0.51 0.28 -0.55 8.24 8.55 1lw5A1 VAL 193 HA -0.17 0.22 0.85 -0.75 4.13 4.28 1lw5A1 VAL 193 HB -0.11 0.01 0.06 -0.04 2.12 2.05 1lw5A1 VAL 193 HG13 -0.03 0.01 0.06 -0.04 0.97 0.97 1lw5A1 VAL 193 HG23 0.04 0.00 -0.24 -0.04 0.95 0.72 1lw5A1 PHE 195 HA -0.02 -0.11 -0.06 -0.75 4.62 3.67 1lw5A1 PHE 195 HB2 0.08 -0.00 0.06 -0.04 3.15 3.25 1lw5A1 PHE 195 HB3 -0.16 -0.08 -0.03 -0.04 3.06 2.75 1lw5A1 PHE 195 HD2 -0.21 0.08 -0.35 -0.04 7.28 6.76 1lw5A1 PHE 195 HE2 -0.05 0.02 -0.17 -0.04 7.38 7.14 1lw5A1 PHE 195 HZ 0.19 -0.01 -0.11 -0.04 7.32 7.35 1lw5A1 CYS 196 H 0.20 0.25 0.31 -0.55 8.50 8.71 1lw5A1 CYS 196 HA -0.01 0.10 0.99 -0.75 4.58 4.91 1lw5A1 CYS 196 HB2 0.09 0.23 0.22 -0.04 2.97 3.46 1lw5A1 CYS 196 HB3 0.04 -0.09 0.07 -0.04 2.97 2.96 1lw5A1 LEU 197 H 0.06 0.53 0.42 -0.55 8.37 8.84 1lw5A1 LEU 197 HA 0.21 0.16 0.78 -0.75 4.35 4.74 1lw5A1 LEU 197 HB2 0.13 0.20 -0.11 -0.04 1.64 1.81 1lw5A1 LEU 197 HB3 0.14 -0.05 -0.03 -0.04 1.64 1.65 1lw5A1 LEU 197 HG 0.08 -0.03 -0.23 -0.04 1.64 1.42 1lw5A1 LEU 197 HD13 0.23 -0.02 -0.16 -0.04 0.93 0.94 1lw5A1 LEU 197 HD23 0.37 0.03 -0.10 -0.04 0.89 1.15 1lw5A1 SER 198 H 0.05 0.11 0.06 -0.55 8.46 8.13 1lw5A1 SER 198 HA 0.04 0.42 0.32 -0.75 4.49 4.52 1lw5A1 SER 198 HB2 0.01 0.17 -0.05 -0.04 3.95 4.05 1lw5A1 SER 198 HB3 0.03 -0.10 -0.30 -0.04 3.93 3.52 1lw5A1 GLY 200 HA2 0.08 -0.06 0.32 -0.51 4.01 3.84 1lw5A1 GLY 200 HA3 0.09 -0.04 0.22 -0.51 4.01 3.77 1lw5A1 LEU 201 H 0.08 0.20 0.08 -0.55 8.37 8.19 1lw5A1 LEU 201 HA 0.01 0.10 0.55 -0.75 4.35 4.26 1lw5A1 LEU 201 HB2 0.09 0.09 0.15 -0.04 1.64 1.93 1lw5A1 LEU 201 HB3 0.02 0.01 0.13 -0.04 1.64 1.77 1lw5A1 LEU 201 HG 0.12 -0.07 0.09 -0.04 1.64 1.74 1lw5A1 LEU 201 HD13 0.02 0.02 -0.01 -0.04 0.93 0.91 1lw5A1 LEU 201 HD23 -0.14 0.03 0.01 -0.04 0.89 0.75 1lw5A1 CYS 202 H 0.04 0.05 -0.62 -0.55 8.50 7.42 1lw5A1 CYS 202 HA 0.02 0.07 0.01 -0.75 4.58 3.93 1lw5A1 CYS 202 HB2 0.02 0.17 -0.16 -0.04 2.97 2.97 1lw5A1 CYS 202 HB3 0.03 0.06 -0.01 -0.04 2.97 3.00 1lw5A1 ALA 203 H 0.05 0.50 -0.21 -0.55 8.40 8.20 1lw5A1 ALA 203 HA 0.04 0.06 0.42 -0.75 4.34 4.10 1lw5A1 ALA 203 HB3 0.07 -0.04 -0.30 -0.04 1.41 1.10 1lw5A1 PRO 204 HA 0.02 0.25 0.53 -0.51 4.44 4.73 1lw5A1 PRO 204 HB2 0.03 -0.02 0.02 -0.04 2.28 2.26 1lw5A1 PRO 204 HB3 0.02 0.05 0.11 -0.04 2.02 2.16 1lw5A1 PRO 204 HG2 0.04 -0.04 0.11 -0.04 2.03 2.10 1lw5A1 PRO 204 HG3 0.02 0.04 0.09 -0.04 2.03 2.14 1lw5A1 PRO 204 HD2 0.04 0.02 0.18 -0.04 3.68 3.89 1lw5A1 PRO 204 HD3 0.02 0.18 0.17 -0.04 3.65 3.99 1lw5A1 VAL 205 H 0.08 0.17 -0.11 -0.55 8.24 7.82 1lw5A1 VAL 205 HA 0.03 0.18 0.78 -0.75 4.13 4.36 1lw5A1 VAL 205 HB 0.11 -0.09 -0.01 -0.04 2.12 2.08 1lw5A1 VAL 205 HG13 0.03 0.01 -0.04 -0.04 0.97 0.92 1lw5A1 VAL 205 HG23 0.03 -0.01 -0.23 -0.04 0.95 0.70 1lw5A1 GLY 206 H -0.02 0.19 0.10 -0.55 8.43 8.15 1lw5A1 GLY 206 HA2 -0.25 0.17 0.29 -0.51 4.01 3.70 1lw5A1 GLY 206 HA3 -0.00 0.19 0.72 -0.51 4.01 4.40 1lw5A1 SER 207 H -0.37 0.65 0.26 -0.55 8.46 8.45 1lw5A1 SER 207 HA -0.15 0.01 0.85 -0.75 4.49 4.45 1lw5A1 SER 207 HB2 -0.18 0.08 -0.33 -0.04 3.95 3.48 1lw5A1 SER 207 HB3 -0.19 0.27 -0.01 -0.04 3.93 3.96 1lw5A1 VAL 208 H -0.60 0.80 0.35 -0.55 8.24 8.24 1lw5A1 VAL 208 HA -0.20 0.21 1.00 -0.75 4.13 4.38 1lw5A1 VAL 208 HB -1.35 0.03 -0.01 -0.04 2.12 0.76 1lw5A1 VAL 208 HG13 -0.02 -0.01 -0.24 -0.04 0.97 0.66 1lw5A1 VAL 208 HG23 0.01 -0.04 -0.32 -0.04 0.95 0.56 1lw5A1 VAL 209 H -0.09 0.53 0.33 -0.55 8.24 8.46 1lw5A1 VAL 209 HA -0.02 0.37 0.96 -0.75 4.13 4.68 1lw5A1 VAL 209 HB -0.00 -0.07 0.07 -0.04 2.12 2.07 1lw5A1 VAL 209 HG13 0.24 -0.01 -0.12 -0.04 0.97 1.04 1lw5A1 VAL 209 HG23 -0.03 0.01 -0.16 -0.04 0.95 0.74 1lw5A1 VAL 210 H 0.06 0.55 0.31 -0.55 8.24 8.60 1lw5A1 VAL 210 HA 0.10 0.24 1.16 -0.75 4.13 4.88 1lw5A1 VAL 210 HB 0.10 0.03 0.03 -0.04 2.12 2.24 1lw5A1 VAL 210 HG13 0.09 0.01 -0.32 -0.04 0.97 0.71 1lw5A1 VAL 210 HG23 -0.09 0.05 -0.00 -0.04 0.95 0.86 1lw5A1 GLY 211 H 0.14 0.64 0.33 -0.55 8.43 8.99 1lw5A1 GLY 211 HA2 0.07 0.21 0.45 -0.51 4.01 4.23 1lw5A1 GLY 211 HA3 0.17 0.08 0.58 -0.51 4.01 4.32 1lw5A1 ASP 212 H 0.10 0.26 0.23 -0.55 8.40 8.44 1lw5A1 ASP 212 HA 0.08 0.05 0.60 -0.75 4.63 4.60 1lw5A1 ASP 212 HB2 0.12 -0.05 0.13 -0.04 2.71 2.87 1lw5A1 ASP 212 HB3 0.08 -0.09 0.19 -0.04 2.70 2.84 1lw5A1 ARG 213 H 0.07 0.17 0.18 -0.55 8.46 8.33 1lw5A1 ARG 213 HA 0.06 0.14 0.35 -0.75 4.34 4.13 1lw5A1 ARG 213 HB2 0.04 -0.03 0.16 -0.04 1.90 2.03 1lw5A1 ARG 213 HB3 0.03 0.05 -0.03 -0.04 1.80 1.81 1lw5A1 ARG 213 HG2 0.04 0.06 -0.02 -0.04 1.67 1.70 1lw5A1 ARG 213 HG3 0.05 -0.02 -0.02 -0.04 1.67 1.63 1lw5A1 ARG 213 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 1lw5A1 ARG 213 HD3 0.03 0.07 0.02 -0.04 3.22 3.29 1lw5A1 ASP 214 H 0.07 0.10 -0.04 -0.55 8.40 7.98 1lw5A1 ASP 214 HA 0.02 0.10 0.41 -0.75 4.63 4.41 1lw5A1 ASP 214 HB2 0.04 0.10 0.00 -0.04 2.71 2.82 1lw5A1 ASP 214 HB3 0.04 0.01 0.09 -0.04 2.70 2.80 1lw5A1 PHE 215 H 0.19 0.00 -0.31 -0.55 8.34 7.67 1lw5A1 PHE 215 HA -0.06 0.18 0.36 -0.75 4.62 4.35 1lw5A1 PHE 215 HB2 -0.02 0.03 0.04 -0.04 3.15 3.16 1lw5A1 PHE 215 HB3 -0.01 -0.03 0.04 -0.04 3.06 3.03 1lw5A1 PHE 215 HD2 -0.20 0.02 -0.20 -0.04 7.28 6.86 1lw5A1 PHE 215 HE2 -0.51 0.12 -0.20 -0.04 7.38 6.75 1lw5A1 PHE 215 HZ -0.15 -0.04 -0.11 -0.04 7.32 6.98 1lw5A1 ILE 216 H 0.09 0.49 -0.27 -0.55 8.25 8.01 1lw5A1 ILE 216 HA -0.35 0.05 0.23 -0.75 4.18 3.35 1lw5A1 ILE 216 HB 0.02 0.05 -0.02 -0.04 1.89 1.90 1lw5A1 ILE 216 HG12 0.23 0.12 -0.29 -0.04 1.49 1.50 1lw5A1 ILE 216 HG13 0.10 -0.10 -0.50 -0.04 1.21 0.67 1lw5A1 ILE 216 HG23 -0.03 -0.01 -0.28 -0.04 0.93 0.57 1lw5A1 ILE 216 HD13 0.06 -0.02 -0.39 -0.04 0.88 0.49 1lw5A1 GLU 217 H -0.05 0.46 -0.30 -0.55 8.60 8.16 1lw5A1 GLU 217 HA -0.06 0.01 0.41 -0.75 4.29 3.89 1lw5A1 GLU 217 HB2 -0.02 0.01 0.10 -0.04 2.09 2.14 1lw5A1 GLU 217 HB3 -0.03 0.12 0.15 -0.04 1.99 2.19 1lw5A1 GLU 217 HG2 -0.04 0.02 -0.15 -0.04 2.34 2.12 1lw5A1 GLU 217 HG3 -0.03 -0.03 0.04 -0.04 2.34 2.28 1lw5A1 ARG 218 H -0.13 0.50 -0.15 -0.55 8.46 8.12 1lw5A1 ARG 218 HA -0.09 -0.02 0.46 -0.75 4.34 3.94 1lw5A1 ARG 218 HB2 -0.20 0.16 0.21 -0.04 1.90 2.03 1lw5A1 ARG 218 HB3 -0.12 0.04 0.07 -0.04 1.80 1.75 1lw5A1 ARG 218 HG2 -0.04 -0.10 0.05 -0.04 1.67 1.53 1lw5A1 ARG 218 HG3 -0.04 0.10 0.08 -0.04 1.67 1.77 1lw5A1 ARG 218 HD2 -0.02 0.03 0.04 -0.04 3.22 3.23 1lw5A1 ARG 218 HD3 0.00 -0.11 0.01 -0.04 3.22 3.08 1lw5A1 ALA 219 H -0.41 0.53 -0.14 -0.55 8.40 7.84 1lw5A1 ALA 219 HA -0.26 0.17 0.39 -0.75 4.34 3.89 1lw5A1 ALA 219 HB3 -0.51 -0.00 -0.07 -0.04 1.41 0.79 1lw5A1 ARG 220 H -0.15 0.58 -0.29 -0.55 8.46 8.04 1lw5A1 ARG 220 HA -0.08 -0.00 0.39 -0.75 4.34 3.89 1lw5A1 ARG 220 HB2 -0.07 0.08 0.10 -0.04 1.90 1.96 1lw5A1 ARG 220 HB3 -0.07 0.12 0.12 -0.04 1.80 1.93 1lw5A1 ARG 220 HG2 -0.05 -0.03 -0.10 -0.04 1.67 1.46 1lw5A1 ARG 220 HG3 -0.04 -0.04 0.04 -0.04 1.67 1.59 1lw5A1 ARG 220 HD2 -0.03 0.00 -0.01 -0.04 3.22 3.14 1lw5A1 ARG 220 HD3 -0.02 -0.03 -0.01 -0.04 3.22 3.12 1lw5A1 LYS 221 H -0.09 0.44 -0.22 -0.55 8.42 8.00 1lw5A1 LYS 221 HA -0.06 -0.03 0.48 -0.75 4.32 3.96 1lw5A1 LYS 221 HB2 -0.06 0.01 0.14 -0.04 1.87 1.93 1lw5A1 LYS 221 HB3 -0.06 0.17 0.14 -0.04 1.79 1.99 1lw5A1 LYS 221 HG2 -0.04 0.03 -0.08 -0.04 1.46 1.33 1lw5A1 LYS 221 HG3 -0.04 -0.07 0.07 -0.04 1.46 1.37 1lw5A1 LYS 221 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.60 1lw5A1 LYS 221 HD3 -0.04 0.05 -0.00 -0.04 1.68 1.65 1lw5A1 LYS 221 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.89 1lw5A1 LYS 221 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 1lw5A1 ALA 222 H -0.10 0.50 -0.15 -0.55 8.40 8.10 1lw5A1 ALA 222 HA -0.06 0.02 0.38 -0.75 4.34 3.93 1lw5A1 ALA 222 HB3 -0.09 0.03 0.10 -0.04 1.41 1.41 1lw5A1 ARG 223 H -0.08 0.48 -0.32 -0.55 8.46 7.98 1lw5A1 ARG 223 HA -0.06 -0.02 0.33 -0.75 4.34 3.83 1lw5A1 ARG 223 HB2 -0.08 0.06 0.04 -0.04 1.90 1.87 1lw5A1 ARG 223 HB3 -0.06 0.16 0.07 -0.04 1.80 1.93 1lw5A1 ARG 223 HG2 -0.05 -0.23 -0.38 -0.04 1.67 0.96 1lw5A1 ARG 223 HG3 -0.08 -0.06 -0.01 -0.04 1.67 1.48 1lw5A1 ARG 223 HD2 -0.06 0.10 0.03 -0.04 3.22 3.25 1lw5A1 ARG 223 HD3 -0.06 -0.01 -0.07 -0.04 3.22 3.04 1lw5A1 LYS 224 H -0.05 0.43 -0.33 -0.55 8.42 7.91 1lw5A1 LYS 224 HA -0.04 -0.15 0.29 -0.75 4.32 3.66 1lw5A1 LYS 224 HB2 -0.05 0.04 0.15 -0.04 1.87 1.97 1lw5A1 LYS 224 HB3 -0.04 0.19 0.18 -0.04 1.79 2.08 1lw5A1 LYS 224 HG2 -0.05 -0.03 0.07 -0.04 1.46 1.41 1lw5A1 LYS 224 HG3 -0.04 -0.01 0.12 -0.04 1.46 1.49 1lw5A1 LYS 224 HD2 -0.04 -0.07 0.08 -0.04 1.69 1.62 1lw5A1 LYS 224 HD3 -0.05 0.01 0.05 -0.04 1.68 1.65 1lw5A1 LYS 224 HE2 -0.06 -0.06 0.04 -0.04 2.99 2.87 1lw5A1 LYS 224 HE3 -0.07 -0.01 0.04 -0.04 2.99 2.91 1lw5A1 LEU 226 HA -0.02 -0.09 0.30 -0.75 4.35 3.78 1lw5A1 LEU 226 HB2 -0.04 -0.03 -0.03 -0.04 1.64 1.51 1lw5A1 LEU 226 HB3 -0.03 -0.12 -0.00 -0.04 1.64 1.45 1lw5A1 LEU 226 HG -0.04 0.38 0.02 -0.04 1.64 1.95 1lw5A1 LEU 226 HD13 -0.04 -0.04 -0.16 -0.04 0.93 0.64 1lw5A1 LEU 226 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.82 1lw5A1 GLY 227 H -0.03 0.46 -1.29 -0.55 8.43 7.01 1lw5A1 GLY 227 HA2 -0.02 -0.00 0.38 -0.51 4.01 3.86 1lw5A1 GLY 227 HA3 -0.02 0.09 0.83 -0.51 4.01 4.39 1lw5A1 GLY 228 H -0.04 0.84 0.06 -0.55 8.43 8.75 1lw5A1 GLY 228 HA2 -0.04 0.09 0.67 -0.51 4.01 4.22 1lw5A1 GLY 228 HA3 -0.06 -0.01 0.29 -0.51 4.01 3.72 1lw5A1 GLY 229 H -0.03 0.18 -0.31 -0.55 8.43 7.73 1lw5A1 GLY 229 HA2 -0.01 0.15 0.38 -0.51 4.01 4.02 1lw5A1 GLY 229 HA3 -0.02 0.03 0.14 -0.51 4.01 3.64 1lw5A1 ARG 231 HA 0.05 -0.20 0.28 -0.75 4.34 3.71 1lw5A1 ARG 231 HB2 0.03 -0.01 0.20 -0.04 1.90 2.08 1lw5A1 ARG 231 HB3 0.04 -0.03 0.13 -0.04 1.80 1.90 1lw5A1 ARG 231 HG2 0.03 0.12 0.25 -0.04 1.67 2.02 1lw5A1 ARG 231 HG3 0.03 0.04 0.09 -0.04 1.67 1.79 1lw5A1 ARG 231 HD2 0.07 -0.04 0.05 -0.04 3.22 3.25 1lw5A1 ARG 231 HD3 0.04 -0.15 0.01 -0.04 3.22 3.08 1lw5A1 GLN 232 H 0.03 0.20 0.09 -0.55 8.47 8.24 1lw5A1 GLN 232 HA 0.02 0.26 0.68 -0.75 4.36 4.57 1lw5A1 GLN 232 HB2 0.01 0.09 0.20 -0.04 2.15 2.41 1lw5A1 GLN 232 HB3 0.01 -0.05 0.23 -0.04 2.02 2.17 1lw5A1 GLN 232 HG2 0.01 0.08 -0.01 -0.04 2.40 2.43 1lw5A1 GLN 232 HG3 0.01 -0.07 -0.13 -0.04 2.39 2.16 1lw5A1 GLN 232 HE21 0.03 0.04 -0.09 -0.04 6.97 6.92 1lw5A1 GLN 232 HE22 0.02 -0.09 -0.36 -0.04 7.69 7.22 1lw5A1 ALA 233 H 0.03 0.68 -0.06 -0.55 8.40 8.51 1lw5A1 ALA 233 HA 0.03 0.12 0.39 -0.75 4.34 4.13 1lw5A1 ALA 233 HB3 0.09 0.05 0.10 -0.04 1.41 1.60 1lw5A1 GLY 234 H -0.02 0.07 -0.66 -0.55 8.43 7.28 1lw5A1 GLY 234 HA2 -0.10 -0.03 0.34 -0.51 4.01 3.72 1lw5A1 GLY 234 HA3 -0.04 0.10 0.25 -0.51 4.01 3.81 1lw5A1 VAL 235 H -0.02 0.32 -0.26 -0.55 8.24 7.73 1lw5A1 VAL 235 HA -0.02 0.12 0.32 -0.75 4.13 3.80 1lw5A1 VAL 235 HB 0.00 -0.02 0.03 -0.04 2.12 2.10 1lw5A1 VAL 235 HG13 0.00 0.03 -0.12 -0.04 0.97 0.84 1lw5A1 VAL 235 HG23 -0.00 0.02 0.02 -0.04 0.95 0.95 1lw5A1 LEU 236 H -0.03 0.18 -0.25 -0.55 8.37 7.72 1lw5A1 LEU 236 HA 0.01 0.12 0.49 -0.75 4.35 4.22 1lw5A1 LEU 236 HB2 0.00 0.09 0.09 -0.04 1.64 1.79 1lw5A1 LEU 236 HB3 0.14 0.08 0.01 -0.04 1.64 1.83 1lw5A1 LEU 236 HG 0.06 -0.07 0.01 -0.04 1.64 1.59 1lw5A1 LEU 236 HD13 0.20 0.01 -0.05 -0.04 0.93 1.05 1lw5A1 LEU 236 HD23 0.06 0.01 -0.05 -0.04 0.89 0.87 1lw5A1 ALA 237 H -0.21 0.38 -0.10 -0.55 8.40 7.93 1lw5A1 ALA 237 HA -0.38 0.06 0.34 -0.75 4.34 3.60 1lw5A1 ALA 237 HB3 -0.29 0.01 -0.10 -0.04 1.41 1.00 1lw5A1 ALA 238 H -0.08 0.46 -0.47 -0.55 8.40 7.77 1lw5A1 ALA 238 HA -0.04 -0.01 0.42 -0.75 4.34 3.96 1lw5A1 ALA 238 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 1lw5A1 ALA 239 H -0.03 0.35 -0.21 -0.55 8.40 7.97 1lw5A1 ALA 239 HA -0.00 0.05 0.46 -0.75 4.34 4.09 1lw5A1 ALA 239 HB3 0.01 0.05 0.10 -0.04 1.41 1.54 1lw5A1 GLY 240 H -0.03 0.39 -0.20 -0.55 8.43 8.04 1lw5A1 GLY 240 HA2 0.06 0.04 0.35 -0.51 4.01 3.95 1lw5A1 GLY 240 HA3 0.01 0.05 0.25 -0.51 4.01 3.80 1lw5A1 ILE 241 H -0.02 0.52 -0.24 -0.55 8.25 7.96 1lw5A1 ILE 241 HA 0.03 0.02 0.42 -0.75 4.18 3.90 1lw5A1 ILE 241 HB -0.01 0.14 0.14 -0.04 1.89 2.13 1lw5A1 ILE 241 HG12 0.01 -0.06 -0.01 -0.04 1.49 1.38 1lw5A1 ILE 241 HG13 -0.03 0.24 0.09 -0.04 1.21 1.47 1lw5A1 ILE 241 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.75 1lw5A1 ILE 241 HD13 -0.02 -0.01 -0.02 -0.04 0.88 0.79 1lw5A1 ILE 242 H 0.00 0.36 -0.20 -0.55 8.25 7.86 1lw5A1 ILE 242 HA -0.01 -0.02 0.38 -0.75 4.18 3.78 1lw5A1 ILE 242 HB 0.00 0.17 0.14 -0.04 1.89 2.16 1lw5A1 ILE 242 HG12 -0.01 -0.06 0.04 -0.04 1.49 1.42 1lw5A1 ILE 242 HG13 -0.00 0.07 0.09 -0.04 1.21 1.32 1lw5A1 ILE 242 HG23 -0.00 -0.02 -0.09 -0.04 0.93 0.77 1lw5A1 ILE 242 HD13 -0.00 -0.04 0.00 -0.04 0.88 0.80 1lw5A1 ALA 243 H 0.02 0.46 -0.25 -0.55 8.40 8.08 1lw5A1 ALA 243 HA -0.00 0.10 0.45 -0.75 4.34 4.13 1lw5A1 ALA 243 HB3 0.05 -0.00 0.07 -0.04 1.41 1.49 1lw5A1 LEU 244 H 0.04 0.53 -0.11 -0.55 8.37 8.29 1lw5A1 LEU 244 HA -0.10 0.02 0.47 -0.75 4.35 3.99 1lw5A1 LEU 244 HB2 0.20 -0.01 0.08 -0.04 1.64 1.86 1lw5A1 LEU 244 HB3 0.08 0.04 0.17 -0.04 1.64 1.89 1lw5A1 LEU 244 HG 0.05 0.00 -0.26 -0.04 1.64 1.40 1lw5A1 LEU 244 HD13 0.14 -0.01 -0.02 -0.04 0.93 1.00 1lw5A1 LEU 244 HD23 0.24 -0.02 -0.16 -0.04 0.89 0.91 1lw5A1 THR 245 H -0.01 0.65 0.01 -0.55 8.28 8.38 1lw5A1 THR 245 HA -0.05 0.09 0.58 -0.75 4.39 4.26 1lw5A1 THR 245 HB -0.01 -0.08 0.05 -0.04 4.32 4.23 1lw5A1 THR 245 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 1lw5A1 LYS 246 H -0.05 0.59 -0.15 -0.55 8.42 8.27 1lw5A1 LYS 246 HA -0.05 0.18 0.93 -0.75 4.32 4.63 1lw5A1 LYS 246 HB2 -0.02 0.13 0.13 -0.04 1.87 2.07 1lw5A1 LYS 246 HB3 -0.02 -0.10 0.12 -0.04 1.79 1.75 1lw5A1 LYS 246 HG2 -0.02 0.04 -0.12 -0.04 1.46 1.31 1lw5A1 LYS 246 HG3 -0.02 -0.05 -0.36 -0.04 1.46 0.99 1lw5A1 LYS 246 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 1lw5A1 LYS 246 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 1lw5A1 LYS 246 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.94 1lw5A1 LYS 246 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.90 1lw5A1 VAL 248 HA -0.17 -0.04 0.27 -0.75 4.13 3.45 1lw5A1 VAL 248 HB -0.17 -0.02 0.03 -0.04 2.12 1.91 1lw5A1 VAL 248 HG13 -0.06 -0.03 -0.16 -0.04 0.97 0.68 1lw5A1 VAL 248 HG23 -0.70 0.04 0.11 -0.04 0.95 0.36 1lw5A1 ASP 249 H -0.07 0.26 -0.00 -0.55 8.40 8.04 1lw5A1 ASP 249 HA -0.04 0.06 0.40 -0.75 4.63 4.29 1lw5A1 ASP 249 HB2 -0.04 0.04 0.13 -0.04 2.71 2.81 1lw5A1 ASP 249 HB3 -0.03 -0.03 0.03 -0.04 2.70 2.62 1lw5A1 ARG 250 H -0.04 0.27 -0.04 -0.55 8.46 8.10 1lw5A1 ARG 250 HA -0.04 0.03 0.41 -0.75 4.34 3.99 1lw5A1 ARG 250 HB2 -0.02 -0.06 0.13 -0.04 1.90 1.91 1lw5A1 ARG 250 HB3 -0.03 0.04 0.13 -0.04 1.80 1.91 1lw5A1 ARG 250 HG2 -0.03 0.14 -0.04 -0.04 1.67 1.71 1lw5A1 ARG 250 HG3 -0.02 0.03 -0.28 -0.04 1.67 1.36 1lw5A1 ARG 250 HD2 -0.01 0.00 -0.01 -0.04 3.22 3.17 1lw5A1 ARG 250 HD3 0.00 0.08 -0.06 -0.04 3.22 3.20 1lw5A1 LEU 251 H -0.06 0.58 -0.60 -0.55 8.37 7.74 1lw5A1 LEU 251 HA -0.04 -0.00 0.35 -0.75 4.35 3.90 1lw5A1 LEU 251 HB2 -0.10 0.18 0.05 -0.04 1.64 1.73 1lw5A1 LEU 251 HB3 -0.13 -0.11 0.01 -0.04 1.64 1.37 1lw5A1 LEU 251 HG -0.03 0.12 0.02 -0.04 1.64 1.71 1lw5A1 LEU 251 HD13 0.08 -0.01 -0.11 -0.04 0.93 0.85 1lw5A1 LEU 251 HD23 0.05 -0.02 -0.08 -0.04 0.89 0.78 1lw5A1 LYS 252 H -0.12 0.52 -0.31 -0.55 8.42 7.96 1lw5A1 LYS 252 HA -0.27 0.07 0.40 -0.75 4.32 3.76 1lw5A1 GLU 253 H -0.05 0.53 -0.22 -0.55 8.60 8.31 1lw5A1 GLU 253 HA -0.01 0.01 0.44 -0.75 4.29 3.98 1lw5A1 GLU 253 HB2 -0.02 0.20 0.13 -0.04 2.09 2.36 1lw5A1 GLU 253 HB3 -0.02 -0.06 0.02 -0.04 1.99 1.89 1lw5A1 GLU 253 HG2 -0.02 -0.04 0.04 -0.04 2.34 2.27 1lw5A1 GLU 253 HG3 -0.03 0.01 0.11 -0.04 2.34 2.39 1lw5A1 ASP 254 H 0.00 0.31 -0.23 -0.55 8.40 7.94 1lw5A1 ASP 254 HA 0.05 0.04 0.35 -0.75 4.63 4.31 1lw5A1 ASP 254 HB2 0.16 0.15 0.04 -0.04 2.71 3.02 1lw5A1 ASP 254 HB3 0.13 0.03 -0.20 -0.04 2.70 2.62 1lw5A1 HIS 255 H 0.15 0.38 -0.27 -0.55 8.41 8.13 1lw5A1 HIS 255 HA 0.03 0.21 0.24 -0.75 4.63 4.35 1lw5A1 HIS 255 HB2 0.02 0.11 0.16 -0.04 3.26 3.52 1lw5A1 HIS 255 HB3 0.03 0.06 -0.03 -0.04 3.20 3.22 1lw5A1 HIS 255 HD2 0.04 -0.14 -0.24 -0.04 6.97 6.58 1lw5A1 HIS 255 HE1 0.05 0.25 0.12 -0.04 7.75 8.13 1lw5A1 GLU 256 H 0.09 0.54 -0.10 -0.55 8.60 8.59 1lw5A1 GLU 256 HA 0.08 0.04 0.43 -0.75 4.29 4.08 1lw5A1 GLU 256 HB2 0.01 0.05 0.13 -0.04 2.09 2.25 1lw5A1 GLU 256 HB3 0.02 -0.08 0.04 -0.04 1.99 1.93 1lw5A1 GLU 256 HG2 0.04 -0.03 0.04 -0.04 2.34 2.35 1lw5A1 GLU 256 HG3 0.03 0.51 0.13 -0.04 2.34 2.98 1lw5A1 ASN 257 H 0.05 0.63 -0.16 -0.55 8.53 8.51 1lw5A1 ASN 257 HA 0.08 -0.06 0.40 -0.75 4.76 4.43 1lw5A1 ASN 257 HB2 0.03 0.12 0.14 -0.04 2.88 3.14 1lw5A1 ASN 257 HB3 0.04 -0.04 -0.06 -0.04 2.79 2.69 1lw5A1 ASN 257 HD21 -0.03 -0.21 -0.05 -0.04 7.03 6.70 1lw5A1 ASN 257 HD22 -0.02 0.16 -0.06 -0.04 7.74 7.78 1lw5A1 ALA 258 H 0.07 0.56 -0.28 -0.55 8.40 8.20 1lw5A1 ALA 258 HA 0.02 -0.00 0.35 -0.75 4.34 3.96 1lw5A1 ALA 258 HB3 0.02 0.06 0.11 -0.04 1.41 1.56 1lw5A1 ARG 259 H 0.06 0.57 -0.09 -0.55 8.46 8.45 1lw5A1 ARG 259 HA 0.01 0.03 0.46 -0.75 4.34 4.08 1lw5A1 ARG 259 HB2 0.03 0.15 0.14 -0.04 1.90 2.19 1lw5A1 ARG 259 HB3 0.07 0.04 0.19 -0.04 1.80 2.06 1lw5A1 ARG 259 HG2 0.04 -0.09 -0.20 -0.04 1.67 1.38 1lw5A1 ARG 259 HG3 0.01 0.01 0.07 -0.04 1.67 1.73 1lw5A1 ARG 259 HD2 0.03 0.10 0.03 -0.04 3.22 3.33 1lw5A1 ARG 259 HD3 0.05 -0.02 0.01 -0.04 3.22 3.21 1lw5A1 PHE 260 H 0.19 0.68 -0.07 -0.55 8.34 8.59 1lw5A1 PHE 260 HA -0.01 -0.04 0.38 -0.75 4.62 4.19 1lw5A1 PHE 260 HB2 -0.00 0.03 0.11 -0.04 3.15 3.24 1lw5A1 PHE 260 HB3 -0.01 0.10 0.13 -0.04 3.06 3.24 1lw5A1 PHE 260 HD2 -0.01 0.03 -0.07 -0.04 7.28 7.18 1lw5A1 PHE 260 HE2 -0.00 -0.01 -0.07 -0.04 7.38 7.25 1lw5A1 PHE 260 HZ 0.00 -0.01 -0.04 -0.04 7.32 7.23 1lw5A1 LEU 261 H 0.11 0.65 -0.24 -0.55 8.37 8.34 1lw5A1 LEU 261 HA -0.15 -0.04 0.37 -0.75 4.35 3.78 1lw5A1 LEU 261 HB2 0.03 -0.00 0.07 -0.04 1.64 1.70 1lw5A1 LEU 261 HB3 -0.02 0.20 0.13 -0.04 1.64 1.91 1lw5A1 LEU 261 HG -0.18 -0.03 -0.31 -0.04 1.64 1.08 1lw5A1 LEU 261 HD13 -0.15 -0.03 -0.04 -0.04 0.93 0.68 1lw5A1 LEU 261 HD23 -0.04 0.00 -0.13 -0.04 0.89 0.68 1lw5A1 ALA 262 H -0.06 0.61 -0.19 -0.55 8.40 8.22 1lw5A1 ALA 262 HA -0.13 -0.01 0.35 -0.75 4.34 3.80 1lw5A1 ALA 262 HB3 -0.06 0.02 0.07 -0.04 1.41 1.40 1lw5A1 LEU 263 H -0.11 0.73 0.01 -0.55 8.37 8.46 1lw5A1 LEU 263 HA -0.09 -0.02 0.43 -0.75 4.35 3.91 1lw5A1 LEU 263 HB2 -0.17 0.11 0.16 -0.04 1.64 1.70 1lw5A1 LEU 263 HB3 -0.10 -0.07 0.02 -0.04 1.64 1.46 1lw5A1 LEU 263 HG -0.04 0.20 0.08 -0.04 1.64 1.85 1lw5A1 LEU 263 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.83 1lw5A1 LEU 263 HD23 -0.03 -0.03 0.02 -0.04 0.89 0.81 1lw5A1 LYS 264 H -0.33 0.60 -0.17 -0.55 8.42 7.97 1lw5A1 LYS 264 HA -0.19 0.00 0.47 -0.75 4.32 3.85 1lw5A1 LYS 264 HB2 -0.35 0.12 0.09 -0.04 1.87 1.69 1lw5A1 LYS 264 HB3 -0.22 -0.06 0.00 -0.04 1.79 1.47 1lw5A1 LYS 264 HG2 -1.03 0.23 0.07 -0.04 1.46 0.69 1lw5A1 LYS 264 HG3 -0.79 -0.06 -0.02 -0.04 1.46 0.55 1lw5A1 LYS 264 HD2 -0.19 -0.02 0.00 -0.04 1.69 1.44 1lw5A1 LYS 264 HD3 -0.25 -0.03 -0.09 -0.04 1.68 1.27 1lw5A1 LYS 264 HE2 -0.37 0.01 -0.02 -0.04 2.99 2.57 1lw5A1 LYS 264 HE3 -0.13 -0.02 -0.02 -0.04 2.99 2.77 1lw5A1 LEU 265 H -0.20 0.61 -0.13 -0.55 8.37 8.11 1lw5A1 LEU 265 HA -0.08 -0.01 0.41 -0.75 4.35 3.93 1lw5A1 LEU 265 HB2 -0.19 0.13 0.12 -0.04 1.64 1.66 1lw5A1 LEU 265 HB3 -0.18 -0.10 -0.08 -0.04 1.64 1.24 1lw5A1 LEU 265 HG -0.39 0.20 0.03 -0.04 1.64 1.43 1lw5A1 LEU 265 HD13 -0.50 -0.02 -0.17 -0.04 0.93 0.20 1lw5A1 LEU 265 HD23 -1.07 -0.03 -0.06 -0.04 0.89 -0.31 1lw5A1 LYS 266 H -0.10 0.55 -0.21 -0.55 8.42 8.11 1lw5A1 LYS 266 HA -0.06 0.20 0.50 -0.75 4.32 4.22 1lw5A1 LYS 266 HB2 -0.06 0.01 0.13 -0.04 1.87 1.91 1lw5A1 LYS 266 HB3 -0.07 0.11 0.18 -0.04 1.79 1.96 1lw5A1 LYS 266 HG2 -0.06 -0.02 -0.13 -0.04 1.46 1.21 1lw5A1 LYS 266 HG3 -0.04 0.04 0.13 -0.04 1.46 1.54 1lw5A1 LYS 266 HD2 -0.04 0.03 0.11 -0.04 1.69 1.75 1lw5A1 LYS 266 HD3 -0.04 -0.04 0.04 -0.04 1.68 1.60 1lw5A1 LYS 266 HE2 -0.03 -0.01 0.01 -0.04 2.99 2.91 1lw5A1 LYS 266 HE3 -0.03 0.02 0.06 -0.04 2.99 3.00 1lw5A1 GLU 267 H -0.10 0.43 -0.13 -0.55 8.60 8.25 1lw5A1 GLU 267 HA -0.08 -0.02 0.37 -0.75 4.29 3.79 1lw5A1 GLU 267 HB2 -0.10 0.13 0.23 -0.04 2.09 2.30 1lw5A1 GLU 267 HB3 -0.08 -0.06 -0.01 -0.04 1.99 1.80 1lw5A1 GLU 267 HG2 -0.06 -0.06 0.05 -0.04 2.34 2.23 1lw5A1 GLU 267 HG3 -0.08 0.12 0.08 -0.04 2.34 2.41 1lw5A1 ILE 268 H -0.12 0.43 -0.28 -0.55 8.25 7.73 1lw5A1 ILE 268 HA -0.19 -0.02 0.42 -0.75 4.18 3.63 1lw5A1 ILE 268 HB -0.06 0.08 0.11 -0.04 1.89 1.99 1lw5A1 ILE 268 HG12 -0.02 -0.08 0.01 -0.04 1.49 1.36 1lw5A1 ILE 268 HG13 -0.05 0.32 0.09 -0.04 1.21 1.53 1lw5A1 ILE 268 HG23 -0.34 -0.02 -0.11 -0.04 0.93 0.42 1lw5A1 ILE 268 HD13 0.13 -0.04 -0.10 -0.04 0.88 0.82 1lw5A1 GLY 269 H -0.28 0.32 -0.21 -0.55 8.43 7.71 1lw5A1 GLY 269 HA2 -0.26 0.03 0.26 -0.51 4.01 3.54 1lw5A1 GLY 269 HA3 -0.84 0.12 0.87 -0.51 4.01 3.66 1lw5A1 TYR 270 H -0.19 0.36 0.16 -0.55 8.29 8.06 1lw5A1 TYR 270 HA 0.03 0.05 0.49 -0.75 4.56 4.37 1lw5A1 TYR 270 HB2 -0.14 0.08 -0.06 -0.04 3.06 2.90 1lw5A1 TYR 270 HB3 -0.06 -0.03 -0.14 -0.04 2.98 2.71 1lw5A1 TYR 270 HD2 -0.06 0.03 -0.01 -0.04 7.15 7.07 1lw5A1 TYR 270 HE2 0.08 -0.01 -0.17 -0.04 6.85 6.71 1lw5A1 SER 271 H 0.13 0.18 0.12 -0.55 8.46 8.35 1lw5A1 SER 271 HA 0.02 0.15 0.57 -0.75 4.49 4.48 1lw5A1 SER 271 HB2 0.03 0.02 0.10 -0.04 3.95 4.07 1lw5A1 SER 271 HB3 0.03 0.00 0.26 -0.04 3.93 4.19 1lw5A1 VAL 272 H -0.01 0.49 0.24 -0.55 8.24 8.41 1lw5A1 VAL 272 HA -0.02 0.23 0.91 -0.75 4.13 4.50 1lw5A1 VAL 272 HB -0.06 -0.02 -0.04 -0.04 2.12 1.96 1lw5A1 VAL 272 HG13 -0.06 -0.01 -0.36 -0.04 0.97 0.51 1lw5A1 VAL 272 HG23 -0.06 0.05 -0.13 -0.04 0.95 0.77 1lw5A1 ASN 273 H -0.03 0.25 0.10 -0.55 8.53 8.31 1lw5A1 ASN 273 HA -0.02 0.25 0.95 -0.75 4.76 5.19 1lw5A1 ASN 273 HB2 -0.02 0.01 0.22 -0.04 2.88 3.06 1lw5A1 ASN 273 HB3 -0.02 -0.06 0.09 -0.04 2.79 2.77 1lw5A1 ASN 273 HD21 -0.01 0.01 -0.07 -0.04 7.03 6.92 1lw5A1 ASN 273 HD22 -0.01 0.01 0.01 -0.04 7.74 7.71 1lw5A1 PRO 274 HA -0.03 0.09 0.40 -0.51 4.44 4.38 1lw5A1 PRO 274 HB2 -0.03 0.01 0.01 -0.04 2.28 2.24 1lw5A1 PRO 274 HB3 -0.04 0.06 0.04 -0.04 2.02 2.04 1lw5A1 PRO 274 HG2 -0.05 0.07 -0.01 -0.04 2.03 2.00 1lw5A1 PRO 274 HG3 -0.06 0.10 -0.35 -0.04 2.03 1.67 1lw5A1 PRO 274 HD2 -0.03 0.06 0.18 -0.04 3.68 3.85 1lw5A1 PRO 274 HD3 -0.04 0.43 -0.08 -0.04 3.65 3.92 1lw5A1 GLU 275 H -0.02 0.08 -0.31 -0.55 8.60 7.80 1lw5A1 GLU 275 HA -0.01 0.12 0.38 -0.75 4.29 4.03 1lw5A1 GLU 275 HB2 -0.01 0.02 0.06 -0.04 2.09 2.12 1lw5A1 GLU 275 HB3 -0.01 -0.01 0.07 -0.04 1.99 1.99 1lw5A1 GLU 275 HG2 -0.01 0.07 -0.20 -0.04 2.34 2.16 1lw5A1 GLU 275 HG3 -0.01 0.00 -0.06 -0.04 2.34 2.23 1lw5A1 ASP 276 H -0.02 0.44 -0.32 -0.55 8.40 7.95 1lw5A1 ASP 276 HA -0.01 0.10 0.61 -0.75 4.63 4.57 1lw5A1 ASP 276 HB2 -0.02 0.11 0.12 -0.04 2.71 2.89 1lw5A1 ASP 276 HB3 -0.01 0.00 0.15 -0.04 2.70 2.79 1lw5A1 VAL 277 H -0.02 0.36 -0.31 -0.55 8.24 7.72 1lw5A1 VAL 277 HA -0.03 0.05 0.62 -0.75 4.13 4.01 1lw5A1 VAL 277 HB -0.02 0.12 0.23 -0.04 2.12 2.41 1lw5A1 VAL 277 HG13 -0.03 0.01 -0.23 -0.04 0.97 0.68 1lw5A1 VAL 277 HG23 -0.03 -0.01 0.01 -0.04 0.95 0.88 1lw5A1 LYS 278 H -0.05 0.22 0.24 -0.55 8.42 8.28 1lw5A1 LYS 278 HA -0.03 0.18 0.78 -0.75 4.32 4.49 1lw5A1 LYS 278 HB2 -0.04 0.06 0.13 -0.04 1.87 1.99 1lw5A1 LYS 278 HB3 -0.02 -0.07 0.07 -0.04 1.79 1.74 1lw5A1 LYS 278 HG2 -0.02 0.23 -0.10 -0.04 1.46 1.53 1lw5A1 LYS 278 HG3 -0.01 -0.15 0.04 -0.04 1.46 1.30 1lw5A1 LYS 278 HD2 -0.00 -0.06 -0.01 -0.04 1.69 1.59 1lw5A1 LYS 278 HD3 -0.01 0.12 -0.34 -0.04 1.68 1.41 1lw5A1 LYS 278 HE2 -0.01 0.08 0.01 -0.04 2.99 3.03 1lw5A1 LYS 278 HE3 -0.00 -0.12 0.01 -0.04 2.99 2.83 1lw5A1 THR 279 H -0.13 0.08 0.07 -0.55 8.28 7.75 1lw5A1 THR 279 HA -0.97 0.25 0.94 -0.75 4.39 3.86 1lw5A1 THR 279 HB -0.30 -0.09 0.16 -0.04 4.32 4.05 1lw5A1 THR 279 HG23 -0.09 -0.00 -0.21 -0.04 1.22 0.88 1lw5A1 ASN 280 H -0.11 0.10 0.07 -0.55 8.53 8.04 1lw5A1 ASN 280 HA 0.00 0.33 0.73 -0.75 4.76 5.07 1lw5A1 ASN 280 HB2 0.10 0.07 0.09 -0.04 2.88 3.09 1lw5A1 ASN 280 HB3 0.19 -0.04 -0.11 -0.04 2.79 2.78 1lw5A1 ASN 280 HD21 0.09 -0.11 0.06 -0.04 7.03 7.02 1lw5A1 ASN 280 HD22 0.12 0.49 0.16 -0.04 7.74 8.46 1lw5A1 VAL 282 HA -0.03 -0.10 0.25 -0.75 4.13 3.50 1lw5A1 VAL 282 HB -0.05 -0.03 0.04 -0.04 2.12 2.04 1lw5A1 VAL 282 HG13 -0.07 -0.01 -0.23 -0.04 0.97 0.61 1lw5A1 VAL 282 HG23 -0.03 0.01 -0.13 -0.04 0.95 0.75 1lw5A1 ILE 283 H -0.03 0.09 0.12 -0.55 8.25 7.89 1lw5A1 ILE 283 HA -0.01 0.24 0.95 -0.75 4.18 4.60 1lw5A1 ILE 283 HB -0.02 -0.06 0.16 -0.04 1.89 1.93 1lw5A1 ILE 283 HG12 -0.01 0.01 -0.07 -0.04 1.49 1.38 1lw5A1 ILE 283 HG13 -0.01 0.02 -0.05 -0.04 1.21 1.13 1lw5A1 ILE 283 HG23 -0.01 -0.02 -0.16 -0.04 0.93 0.70 1lw5A1 ILE 283 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.73 1lw5A1 LEU 284 H -0.01 0.77 0.37 -0.55 8.37 8.96 1lw5A1 LEU 284 HA -0.02 0.24 0.98 -0.75 4.35 4.80 1lw5A1 LEU 284 HB2 -0.07 0.02 -0.15 -0.04 1.64 1.40 1lw5A1 LEU 284 HB3 0.01 0.00 0.08 -0.04 1.64 1.69 1lw5A1 LEU 284 HG 0.01 0.00 -0.42 -0.04 1.64 1.19 1lw5A1 LEU 284 HD13 -0.01 0.01 -0.14 -0.04 0.93 0.75 1lw5A1 LEU 284 HD23 0.07 -0.01 -0.16 -0.04 0.89 0.74 1lw5A1 ARG 285 H 0.01 0.68 0.34 -0.55 8.46 8.93 1lw5A1 ARG 285 HA -0.00 0.24 0.93 -0.75 4.34 4.75 1lw5A1 ARG 285 HB2 0.01 0.01 0.19 -0.04 1.90 2.07 1lw5A1 ARG 285 HB3 0.00 -0.14 0.19 -0.04 1.80 1.81 1lw5A1 ARG 285 HG2 -0.00 0.12 0.03 -0.04 1.67 1.78 1lw5A1 ARG 285 HG3 0.00 -0.03 0.03 -0.04 1.67 1.62 1lw5A1 ARG 285 HD2 -0.01 -0.01 -0.14 -0.04 3.22 3.02 1lw5A1 ARG 285 HD3 -0.00 -0.00 -0.06 -0.04 3.22 3.11 1lw5A1 THR 286 H -0.01 0.40 0.33 -0.55 8.28 8.45 1lw5A1 THR 286 HA -0.05 0.25 0.94 -0.75 4.39 4.78 1lw5A1 THR 286 HB -0.07 0.17 0.10 -0.04 4.32 4.48 1lw5A1 THR 286 HG23 -0.05 0.01 -0.30 -0.04 1.22 0.84 1lw5A1 ASP 287 H -0.00 0.07 0.07 -0.55 8.40 7.98 1lw5A1 ASP 287 HA 0.00 0.06 0.36 -0.75 4.63 4.30 1lw5A1 ASP 287 HB2 0.01 0.02 0.05 -0.04 2.71 2.74 1lw5A1 ASP 287 HB3 0.00 0.04 0.07 -0.04 2.70 2.77 1lw5A1 ASN 288 H 0.00 0.01 -0.32 -0.55 8.53 7.68 1lw5A1 ASN 288 HA -0.00 0.15 0.69 -0.75 4.76 4.84 1lw5A1 ASN 288 HB2 0.01 0.07 0.14 -0.04 2.88 3.06 1lw5A1 ASN 288 HB3 0.02 -0.09 0.04 -0.04 2.79 2.72 1lw5A1 ASN 288 HD21 0.16 0.09 0.02 -0.04 7.03 7.26 1lw5A1 ASN 288 HD22 0.12 0.01 0.01 -0.04 7.74 7.84 1lw5A1 LEU 289 H -0.03 0.52 -0.22 -0.55 8.37 8.09 1lw5A1 LEU 289 HA -0.05 0.29 0.85 -0.75 4.35 4.69 1lw5A1 LEU 289 HB2 -0.10 0.18 0.16 -0.04 1.64 1.84 1lw5A1 LEU 289 HB3 -0.07 -0.11 0.12 -0.04 1.64 1.54 1lw5A1 LEU 289 HG -0.07 -0.14 -0.02 -0.04 1.64 1.36 1lw5A1 LEU 289 HD13 -0.61 -0.03 -0.05 -0.04 0.93 0.20 1lw5A1 LEU 289 HD23 -0.07 0.02 -0.23 -0.04 0.89 0.56 1lw5A1 LYS 290 H 0.10 0.69 0.38 -0.55 8.42 9.03 1lw5A1 LYS 290 HA 0.05 0.07 0.45 -0.75 4.32 4.13 1lw5A1 LYS 290 HB2 0.25 -0.03 0.14 -0.04 1.87 2.19 1lw5A1 LYS 290 HB3 0.10 -0.09 0.12 -0.04 1.79 1.88 1lw5A1 LYS 290 HG2 -0.00 0.18 -0.04 -0.04 1.46 1.55 1lw5A1 LYS 290 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.40 1lw5A1 LYS 290 HD2 0.01 -0.09 0.03 -0.04 1.69 1.59 1lw5A1 LYS 290 HD3 0.00 0.07 -0.07 -0.04 1.68 1.63 1lw5A1 LYS 290 HE2 -0.03 -0.04 -0.03 -0.04 2.99 2.86 1lw5A1 LYS 290 HE3 -0.06 0.15 -0.05 -0.04 2.99 2.99 1lw5A1 VAL 291 H 0.09 0.18 -0.20 -0.55 8.24 7.76 1lw5A1 VAL 291 HA 0.07 0.14 0.81 -0.75 4.13 4.40 1lw5A1 VAL 291 HB 0.03 -0.16 0.04 -0.04 2.12 1.99 1lw5A1 VAL 291 HG13 0.19 0.01 -0.16 -0.04 0.97 0.97 1lw5A1 VAL 291 HG23 -0.14 0.03 -0.21 -0.04 0.95 0.59 1lw5A1 ASN 292 H 0.05 0.04 0.12 -0.55 8.53 8.20 1lw5A1 ASN 292 HA 0.01 0.24 0.50 -0.75 4.76 4.76 1lw5A1 ASN 292 HB2 0.04 0.28 0.31 -0.04 2.88 3.47 1lw5A1 ASN 292 HB3 0.06 0.06 0.16 -0.04 2.79 3.02 1lw5A1 ASN 292 HD21 0.62 -0.01 0.08 -0.04 7.03 7.69 1lw5A1 ASN 292 HD22 0.19 0.15 0.22 -0.04 7.74 8.26 1lw5A1 ALA 293 H -0.04 0.62 0.24 -0.55 8.40 8.68 1lw5A1 ALA 293 HA 0.03 0.11 0.25 -0.75 4.34 3.98 1lw5A1 ALA 293 HB3 -0.17 0.00 -0.11 -0.04 1.41 1.09 1lw5A1 HIS 294 H -0.11 0.11 -0.12 -0.55 8.41 7.74 1lw5A1 HIS 294 HA 0.01 0.13 0.47 -0.75 4.63 4.49 1lw5A1 HIS 294 HB2 0.02 -0.03 0.06 -0.04 3.26 3.26 1lw5A1 HIS 294 HB3 0.01 0.06 0.02 -0.04 3.20 3.25 1lw5A1 HIS 294 HD2 0.01 0.04 -0.00 -0.04 6.97 6.98 1lw5A1 HIS 294 HE1 0.02 -0.07 -0.14 -0.04 7.75 7.52 1lw5A1 GLY 295 H 0.09 0.07 -0.27 -0.55 8.43 7.77 1lw5A1 GLY 295 HA2 0.02 0.09 0.43 -0.51 4.01 4.04 1lw5A1 GLY 295 HA3 0.02 0.03 0.25 -0.51 4.01 3.80 1lw5A1 PHE 296 H 0.10 0.50 -0.28 -0.55 8.34 8.10 1lw5A1 PHE 296 HA -0.35 0.06 0.40 -0.75 4.62 3.97 1lw5A1 PHE 296 HB2 -0.12 0.14 -0.08 -0.04 3.15 3.05 1lw5A1 PHE 296 HB3 -0.08 0.03 -0.05 -0.04 3.06 2.92 1lw5A1 PHE 296 HD2 -0.25 -0.01 -0.13 -0.04 7.28 6.86 1lw5A1 PHE 296 HE2 0.13 0.02 -0.13 -0.04 7.38 7.37 1lw5A1 PHE 296 HZ 0.32 0.03 -0.12 -0.04 7.32 7.50 1lw5A1 ILE 297 H 0.00 0.51 -0.22 -0.55 8.25 7.99 1lw5A1 ILE 297 HA -0.14 0.04 0.32 -0.75 4.18 3.64 1lw5A1 ILE 297 HB -0.00 0.08 0.15 -0.04 1.89 2.08 1lw5A1 ILE 297 HG12 -0.00 0.35 0.03 -0.04 1.49 1.82 1lw5A1 ILE 297 HG13 -0.01 -0.16 -0.11 -0.04 1.21 0.89 1lw5A1 ILE 297 HG23 -0.02 -0.01 -0.06 -0.04 0.93 0.80 1lw5A1 ILE 297 HD13 -0.00 0.05 -0.31 -0.04 0.88 0.57 1lw5A1 GLU 298 H -0.08 0.30 -0.43 -0.55 8.60 7.85 1lw5A1 GLU 298 HA -0.07 0.04 0.47 -0.75 4.29 3.99 1lw5A1 GLU 298 HB2 -0.05 0.14 0.10 -0.04 2.09 2.24 1lw5A1 GLU 298 HB3 -0.03 -0.04 0.04 -0.04 1.99 1.91 1lw5A1 GLU 298 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 1lw5A1 GLU 298 HG3 -0.00 0.28 0.13 -0.04 2.34 2.71 1lw5A1 ALA 299 H -0.25 0.34 -0.19 -0.55 8.40 7.75 1lw5A1 ALA 299 HA -0.09 0.01 0.40 -0.75 4.34 3.91 1lw5A1 ALA 299 HB3 -0.40 0.03 0.09 -0.04 1.41 1.09 1lw5A1 LEU 300 H -0.48 0.60 -0.15 -0.55 8.37 7.79 1lw5A1 LEU 300 HA -0.39 -0.01 0.35 -0.75 4.35 3.55 1lw5A1 LEU 300 HB2 -0.33 0.08 0.14 -0.04 1.64 1.48 1lw5A1 LEU 300 HB3 -0.29 0.10 -0.08 -0.04 1.64 1.33 1lw5A1 LEU 300 HG -1.15 0.01 -0.07 -0.04 1.64 0.39 1lw5A1 LEU 300 HD13 -0.18 -0.03 -0.22 -0.04 0.93 0.47 1lw5A1 LEU 300 HD23 -0.90 -0.02 -0.12 -0.04 0.89 -0.18 1lw5A1 ARG 301 H -0.16 0.50 -0.09 -0.55 8.46 8.17 1lw5A1 ARG 301 HA -0.08 0.10 0.34 -0.75 4.34 3.95 1lw5A1 ARG 301 HB2 -0.07 0.05 0.18 -0.04 1.90 2.02 1lw5A1 ARG 301 HB3 -0.06 0.05 0.16 -0.04 1.80 1.90 1lw5A1 ARG 301 HG2 -0.03 -0.01 -0.17 -0.04 1.67 1.42 1lw5A1 ARG 301 HG3 -0.04 -0.02 -0.01 -0.04 1.67 1.56 1lw5A1 ARG 301 HD2 -0.03 -0.00 0.01 -0.04 3.22 3.16 1lw5A1 ARG 301 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.11 1lw5A1 ASN 302 H -0.09 0.53 -0.23 -0.55 8.53 8.20 1lw5A1 ASN 302 HA -0.03 -0.03 0.38 -0.75 4.76 4.32 1lw5A1 ASN 302 HB2 -0.03 -0.04 0.13 -0.04 2.88 2.90 1lw5A1 ASN 302 HB3 -0.04 0.17 0.14 -0.04 2.79 3.03 1lw5A1 ASN 302 HD21 0.01 -0.08 -0.06 -0.04 7.03 6.86 1lw5A1 ASN 302 HD22 0.00 0.07 -0.12 -0.04 7.74 7.65 1lw5A1 SER 303 H -0.10 0.41 -0.37 -0.55 8.46 7.85 1lw5A1 SER 303 HA -0.03 0.08 0.75 -0.75 4.49 4.54 1lw5A1 SER 303 HB2 -0.13 0.09 0.10 -0.04 3.95 3.97 1lw5A1 SER 303 HB3 -0.07 -0.08 0.12 -0.04 3.93 3.86 1lw5A1 GLY 304 H -0.06 0.45 -0.26 -0.55 8.43 8.01 1lw5A1 GLY 304 HA2 -0.03 -0.02 0.26 -0.51 4.01 3.71 1lw5A1 GLY 304 HA3 -0.03 0.10 0.81 -0.51 4.01 4.38 1lw5A1 VAL 305 H -0.11 0.56 -0.00 -0.55 8.24 8.14 1lw5A1 VAL 305 HA -0.04 0.40 1.07 -0.75 4.13 4.81 1lw5A1 VAL 305 HB -0.24 -0.09 -0.05 -0.04 2.12 1.69 1lw5A1 VAL 305 HG13 -0.03 -0.01 -0.20 -0.04 0.97 0.68 1lw5A1 VAL 305 HG23 -0.12 0.00 -0.20 -0.04 0.95 0.60 1lw5A1 LEU 306 H -0.01 0.75 0.29 -0.55 8.37 8.86 1lw5A1 LEU 306 HA -0.04 0.16 0.91 -0.75 4.35 4.62 1lw5A1 LEU 306 HB2 0.01 -0.12 0.16 -0.04 1.64 1.65 1lw5A1 LEU 306 HB3 0.00 -0.03 -0.00 -0.04 1.64 1.56 1lw5A1 LEU 306 HG -0.01 0.11 -0.25 -0.04 1.64 1.45 1lw5A1 LEU 306 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.81 1lw5A1 LEU 306 HD23 -0.02 0.02 -0.07 -0.04 0.89 0.77 1lw5A1 ALA 307 H -0.02 0.35 0.22 -0.55 8.40 8.41 1lw5A1 ALA 307 HA 0.02 0.12 0.42 -0.75 4.34 4.15 1lw5A1 ALA 307 HB3 0.04 0.05 -0.14 -0.04 1.41 1.31 1lw5A1 ASN 308 H 0.01 0.43 0.27 -0.55 8.53 8.70 1lw5A1 ASN 308 HA 0.00 0.17 1.05 -0.75 4.76 5.23 1lw5A1 ASN 308 HB2 -0.01 0.05 0.09 -0.04 2.88 2.97 1lw5A1 ASN 308 HB3 -0.00 0.07 0.03 -0.04 2.79 2.84 1lw5A1 ASN 308 HD21 -0.01 -0.06 -0.09 -0.04 7.03 6.82 1lw5A1 ASN 308 HD22 -0.02 0.08 -0.01 -0.04 7.74 7.75 1lw5A1 ALA 309 H 0.00 0.16 0.19 -0.55 8.40 8.21 1lw5A1 ALA 309 HA -0.05 0.20 0.93 -0.75 4.34 4.67 1lw5A1 ALA 309 HB3 -0.21 0.03 0.02 -0.04 1.41 1.21 1lw5A1 VAL 310 H -0.03 0.51 0.23 -0.55 8.24 8.39 1lw5A1 VAL 310 HA 0.01 0.22 0.90 -0.75 4.13 4.51 1lw5A1 VAL 310 HB -0.01 -0.01 0.08 -0.04 2.12 2.14 1lw5A1 VAL 310 HG13 -0.02 0.01 -0.17 -0.04 0.97 0.75 1lw5A1 VAL 310 HG23 -0.02 -0.00 -0.23 -0.04 0.95 0.66 1lw5A1 SER 311 H -0.05 0.41 0.22 -0.55 8.46 8.50 1lw5A1 SER 311 HA 0.06 0.18 0.45 -0.75 4.49 4.42 1lw5A1 SER 311 HB2 0.03 0.02 0.19 -0.04 3.95 4.15 1lw5A1 SER 311 HB3 0.01 0.21 -0.21 -0.04 3.93 3.90 1lw5A1 ASP 312 H 0.07 0.24 0.17 -0.55 8.40 8.33 1lw5A1 ASP 312 HA 0.02 0.06 0.49 -0.75 4.63 4.45 1lw5A1 ASP 312 HB2 0.07 0.03 0.16 -0.04 2.71 2.93 1lw5A1 ASP 312 HB3 0.08 0.03 0.10 -0.04 2.70 2.87 1lw5A1 THR 313 H -0.00 0.04 -0.29 -0.55 8.28 7.48 1lw5A1 THR 313 HA -0.02 0.19 1.07 -0.75 4.39 4.88 1lw5A1 THR 313 HB 0.00 -0.08 0.21 -0.04 4.32 4.41 1lw5A1 THR 313 HG23 0.02 0.02 -0.13 -0.04 1.22 1.09 1lw5A1 GLU 314 H -0.04 0.18 -0.09 -0.55 8.60 8.10 1lw5A1 GLU 314 HA -0.01 0.42 1.11 -0.75 4.29 5.05 1lw5A1 GLU 314 HB2 -0.02 -0.13 -0.04 -0.04 2.09 1.87 1lw5A1 GLU 314 HB3 -0.01 0.13 -0.09 -0.04 1.99 1.98 1lw5A1 GLU 314 HG2 -0.01 0.10 -0.12 -0.04 2.34 2.27 1lw5A1 GLU 314 HG3 -0.01 -0.17 -0.50 -0.04 2.34 1.62 1lw5A1 ILE 315 H 0.00 0.71 0.37 -0.55 8.25 8.78 1lw5A1 ILE 315 HA -0.01 0.15 1.09 -0.75 4.18 4.65 1lw5A1 ILE 315 HB 0.07 0.04 0.05 -0.04 1.89 2.01 1lw5A1 ILE 315 HG12 0.02 0.03 -0.15 -0.04 1.49 1.35 1lw5A1 ILE 315 HG13 0.02 -0.18 -0.42 -0.04 1.21 0.59 1lw5A1 ILE 315 HG23 0.08 0.03 -0.26 -0.04 0.93 0.74 1lw5A1 ILE 315 HD13 0.24 0.02 -0.16 -0.04 0.88 0.94 1lw5A1 ARG 316 H 0.00 0.58 0.31 -0.55 8.46 8.81 1lw5A1 ARG 316 HA -0.00 0.24 1.04 -0.75 4.34 4.87 1lw5A1 ARG 316 HB2 -0.01 -0.13 -0.05 -0.04 1.90 1.68 1lw5A1 ARG 316 HB3 -0.00 -0.01 0.09 -0.04 1.80 1.84 1lw5A1 ARG 316 HG2 0.00 0.18 -0.28 -0.04 1.67 1.54 1lw5A1 ARG 316 HG3 -0.01 -0.02 -0.10 -0.04 1.67 1.50 1lw5A1 ARG 316 HD2 -0.01 -0.04 -0.16 -0.04 3.22 2.98 1lw5A1 ARG 316 HD3 -0.02 -0.08 -0.10 -0.04 3.22 2.97 1lw5A1 LEU 317 H 0.00 0.78 0.33 -0.55 8.37 8.93 1lw5A1 LEU 317 HA 0.04 0.24 0.98 -0.75 4.35 4.86 1lw5A1 LEU 317 HB2 -0.02 0.06 0.13 -0.04 1.64 1.77 1lw5A1 LEU 317 HB3 0.02 -0.05 -0.01 -0.04 1.64 1.57 1lw5A1 LEU 317 HG 0.02 -0.02 -0.26 -0.04 1.64 1.33 1lw5A1 LEU 317 HD13 -0.12 -0.02 -0.15 -0.04 0.93 0.59 1lw5A1 LEU 317 HD23 0.15 0.02 -0.16 -0.04 0.89 0.86 1lw5A1 VAL 318 H 0.06 0.62 0.17 -0.55 8.24 8.54 1lw5A1 VAL 318 HA 0.05 0.43 1.17 -0.75 4.13 5.02 1lw5A1 VAL 318 HB 0.09 -0.15 -0.36 -0.04 2.12 1.65 1lw5A1 VAL 318 HG13 0.09 -0.02 -0.13 -0.04 0.97 0.87 1lw5A1 VAL 318 HG23 0.03 0.01 -0.34 -0.04 0.95 0.60 1lw5A1 THR 319 H 0.06 0.51 0.18 -0.55 8.28 8.47 1lw5A1 THR 319 HA -0.06 0.16 0.75 -0.75 4.39 4.49 1lw5A1 THR 319 HB -0.02 -0.02 0.09 -0.04 4.32 4.33 1lw5A1 THR 319 HG23 0.01 0.00 -0.22 -0.04 1.22 0.98 1lw5A1 HIS 320 H -0.29 0.34 0.22 -0.55 8.41 8.14 1lw5A1 HIS 320 HA 0.04 0.09 0.48 -0.75 4.63 4.49 1lw5A1 HIS 320 HB2 0.03 -0.06 0.19 -0.04 3.26 3.38 1lw5A1 HIS 320 HB3 0.04 0.16 -0.05 -0.04 3.20 3.31 1lw5A1 HIS 320 HD2 0.03 0.07 -0.59 -0.04 6.97 6.44 1lw5A1 HIS 320 HE1 0.02 0.05 -0.15 -0.04 7.75 7.62 1lw5A1 LYS 321 H 0.17 0.26 0.14 -0.55 8.42 8.44 1lw5A1 LYS 321 HA 0.03 0.04 0.29 -0.75 4.32 3.93 1lw5A1 LYS 321 HB2 0.06 0.10 0.10 -0.04 1.87 2.10 1lw5A1 LYS 321 HB3 0.10 0.01 0.08 -0.04 1.79 1.95 1lw5A1 LYS 321 HG2 0.03 -0.07 0.04 -0.04 1.46 1.42 1lw5A1 LYS 321 HG3 0.03 0.05 -0.02 -0.04 1.46 1.48 1lw5A1 LYS 321 HD2 0.06 -0.02 -0.56 -0.04 1.69 1.13 1lw5A1 LYS 321 HD3 0.03 -0.06 -0.10 -0.04 1.68 1.51 1lw5A1 LYS 321 HE2 0.03 0.02 -0.05 -0.04 2.99 2.95 1lw5A1 LYS 321 HE3 0.06 -0.06 -0.04 -0.04 2.99 2.91 1lw5A1 ASP 322 H 0.48 0.09 -0.29 -0.55 8.40 8.14 1lw5A1 ASP 322 HA 0.05 0.14 0.63 -0.75 4.63 4.70 1lw5A1 ASP 322 HB2 0.35 0.04 0.03 -0.04 2.71 3.09 1lw5A1 ASP 322 HB3 0.12 0.01 0.19 -0.04 2.70 2.98 1lw5A1 VAL 323 H -0.18 0.59 -0.62 -0.55 8.24 7.48 1lw5A1 VAL 323 HA -0.10 0.10 0.82 -0.75 4.13 4.21 1lw5A1 VAL 323 HB -0.31 -0.11 0.23 -0.04 2.12 1.88 1lw5A1 VAL 323 HG13 -0.06 0.00 -0.15 -0.04 0.97 0.72 1lw5A1 VAL 323 HG23 -0.51 0.00 -0.15 -0.04 0.95 0.25 1lw5A1 SER 324 H -0.03 0.10 0.02 -0.55 8.46 8.00 1lw5A1 SER 324 HA -0.03 0.25 0.60 -0.75 4.49 4.56 1lw5A1 SER 324 HB2 -0.02 -0.06 0.19 -0.04 3.95 4.03 1lw5A1 SER 324 HB3 -0.01 0.17 0.10 -0.04 3.93 4.15 1lw5A1 ARG 325 H -0.04 0.20 0.18 -0.55 8.46 8.25 1lw5A1 ARG 325 HA -0.04 0.16 0.43 -0.75 4.34 4.14 1lw5A1 ARG 325 HB2 -0.10 0.08 0.13 -0.04 1.90 1.97 1lw5A1 ARG 325 HB3 -0.07 -0.04 0.14 -0.04 1.80 1.79 1lw5A1 ARG 325 HG2 -0.20 0.04 -0.01 -0.04 1.67 1.46 1lw5A1 ARG 325 HG3 -0.12 -0.02 -0.19 -0.04 1.67 1.30 1lw5A1 ARG 325 HD2 -0.61 0.03 -0.02 -0.04 3.22 2.58 1lw5A1 ARG 325 HD3 -0.13 -0.07 0.11 -0.04 3.22 3.09 1lw5A1 ASN 326 H -0.02 0.09 -0.12 -0.55 8.53 7.94 1lw5A1 ASN 326 HA 0.01 0.10 0.38 -0.75 4.76 4.50 1lw5A1 ASN 326 HB2 -0.00 -0.05 0.07 -0.04 2.88 2.86 1lw5A1 ASN 326 HB3 0.01 0.08 -0.06 -0.04 2.79 2.78 1lw5A1 ASN 326 HD21 -0.00 0.03 0.01 -0.04 7.03 7.02 1lw5A1 ASN 326 HD22 -0.00 0.03 0.01 -0.04 7.74 7.74 1lw5A1 ASP 327 H 0.00 0.02 -0.35 -0.55 8.40 7.53 1lw5A1 ASP 327 HA 0.02 0.09 0.42 -0.75 4.63 4.41 1lw5A1 ASP 327 HB2 -0.01 0.12 0.07 -0.04 2.71 2.85 1lw5A1 ASP 327 HB3 0.01 0.09 0.04 -0.04 2.70 2.80 1lw5A1 ILE 328 H 0.03 0.43 -0.29 -0.55 8.25 7.87 1lw5A1 ILE 328 HA 0.08 0.06 0.34 -0.75 4.18 3.91 1lw5A1 ILE 328 HB 0.10 0.10 0.16 -0.04 1.89 2.21 1lw5A1 ILE 328 HG12 0.02 0.23 -0.10 -0.04 1.49 1.60 1lw5A1 ILE 328 HG13 0.06 -0.06 -0.05 -0.04 1.21 1.12 1lw5A1 ILE 328 HG23 0.26 -0.01 -0.14 -0.04 0.93 1.00 1lw5A1 ILE 328 HD13 0.04 0.00 -0.12 -0.04 0.88 0.76 1lw5A1 GLU 329 H 0.08 0.55 -0.12 -0.55 8.60 8.57 1lw5A1 GLU 329 HA 0.17 0.03 0.43 -0.75 4.29 4.16 1lw5A1 GLU 329 HB2 0.06 0.07 0.14 -0.04 2.09 2.31 1lw5A1 GLU 329 HB3 0.09 -0.04 0.04 -0.04 1.99 2.04 1lw5A1 GLU 329 HG2 0.20 -0.03 -0.01 -0.04 2.34 2.47 1lw5A1 GLU 329 HG3 0.05 0.43 0.08 -0.04 2.34 2.87 1lw5A1 GLU 330 H 0.06 0.56 -0.16 -0.55 8.60 8.51 1lw5A1 GLU 330 HA 0.06 -0.00 0.43 -0.75 4.29 4.02 1lw5A1 GLU 330 HB2 0.04 -0.00 0.11 -0.04 2.09 2.19 1lw5A1 GLU 330 HB3 0.04 0.11 0.12 -0.04 1.99 2.22 1lw5A1 GLU 330 HG2 0.03 0.03 -0.10 -0.04 2.34 2.27 1lw5A1 GLU 330 HG3 0.03 -0.06 0.05 -0.04 2.34 2.31 1lw5A1 ALA 331 H 0.09 0.64 -0.14 -0.55 8.40 8.44 1lw5A1 ALA 331 HA 0.08 0.05 0.37 -0.75 4.34 4.09 1lw5A1 ALA 331 HB3 0.18 0.03 0.06 -0.04 1.41 1.64 1lw5A1 LEU 332 H 0.14 0.57 -0.24 -0.55 8.37 8.29 1lw5A1 LEU 332 HA 0.23 -0.01 0.36 -0.75 4.35 4.18 1lw5A1 LEU 332 HB2 0.09 0.13 0.15 -0.04 1.64 1.97 1lw5A1 LEU 332 HB3 0.05 -0.06 -0.03 -0.04 1.64 1.56 1lw5A1 LEU 332 HG 0.04 0.15 0.04 -0.04 1.64 1.83 1lw5A1 LEU 332 HD13 -0.08 -0.03 -0.09 -0.04 0.93 0.70 1lw5A1 LEU 332 HD23 -0.13 0.00 -0.06 -0.04 0.89 0.66 1lw5A1 ASN 333 H 0.11 0.47 -0.22 -0.55 8.53 8.33 1lw5A1 ASN 333 HA 0.10 -0.01 0.42 -0.75 4.76 4.51 1lw5A1 ASN 333 HB2 0.07 0.19 0.15 -0.04 2.88 3.25 1lw5A1 ASN 333 HB3 0.06 -0.07 0.04 -0.04 2.79 2.79 1lw5A1 ASN 333 HD21 0.05 -0.09 -0.04 -0.04 7.03 6.91 1lw5A1 ASN 333 HD22 0.05 -0.01 0.02 -0.04 7.74 7.77 1lw5A1 ILE 334 H 0.09 0.45 -0.29 -0.55 8.25 7.96 1lw5A1 ILE 334 HA 0.04 0.01 0.48 -0.75 4.18 3.95 1lw5A1 ILE 334 HB -0.05 0.17 0.16 -0.04 1.89 2.13 1lw5A1 ILE 334 HG12 -0.01 -0.04 0.04 -0.04 1.49 1.44 1lw5A1 ILE 334 HG13 0.02 0.05 0.05 -0.04 1.21 1.29 1lw5A1 ILE 334 HG23 -0.16 -0.02 -0.16 -0.04 0.93 0.55 1lw5A1 ILE 334 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.70 1lw5A1 PHE 335 H 0.27 0.65 -0.01 -0.55 8.34 8.70 1lw5A1 PHE 335 HA 0.23 -0.01 0.35 -0.75 4.62 4.43 1lw5A1 PHE 335 HB2 0.07 0.09 0.14 -0.04 3.15 3.41 1lw5A1 PHE 335 HB3 0.21 -0.04 -0.07 -0.04 3.06 3.12 1lw5A1 PHE 335 HD2 -0.30 0.06 -0.18 -0.04 7.28 6.81 1lw5A1 PHE 335 HE2 -0.04 -0.02 -0.14 -0.04 7.38 7.14 1lw5A1 PHE 335 HZ -0.06 -0.00 -0.16 -0.04 7.32 7.07 1lw5A1 GLU 336 H 0.27 0.63 -0.26 -0.55 8.60 8.69 1lw5A1 GLU 336 HA 0.25 0.02 0.41 -0.75 4.29 4.22 1lw5A1 GLU 336 HB2 0.13 0.15 0.19 -0.04 2.09 2.53 1lw5A1 GLU 336 HB3 0.12 -0.06 -0.01 -0.04 1.99 1.99 1lw5A1 GLU 336 HG2 0.08 -0.03 0.03 -0.04 2.34 2.38 1lw5A1 GLU 336 HG3 0.13 0.16 0.02 -0.04 2.34 2.61 1lw5A1 LYS 337 H 0.15 0.51 -0.12 -0.55 8.42 8.41 1lw5A1 LYS 337 HA 0.11 -0.00 0.44 -0.75 4.32 4.12 1lw5A1 LYS 337 HB2 0.09 0.14 0.17 -0.04 1.87 2.23 1lw5A1 LYS 337 HB3 0.07 -0.07 0.05 -0.04 1.79 1.79 1lw5A1 LYS 337 HG2 0.07 -0.08 0.05 -0.04 1.46 1.46 1lw5A1 LYS 337 HG3 0.08 0.27 0.14 -0.04 1.46 1.90 1lw5A1 LYS 337 HD2 0.04 0.03 0.01 -0.04 1.69 1.74 1lw5A1 LYS 337 HD3 0.04 -0.05 0.02 -0.04 1.68 1.65 1lw5A1 LYS 337 HE2 0.04 -0.04 0.01 -0.04 2.99 2.96 1lw5A1 LYS 337 HE3 0.04 0.02 -0.00 -0.04 2.99 3.00 1lw5A1 LEU 338 H 0.24 0.56 -0.24 -0.55 8.37 8.38 1lw5A1 LEU 338 HA 0.27 0.02 0.46 -0.75 4.35 4.35 1lw5A1 LEU 338 HB2 0.40 0.11 0.08 -0.04 1.64 2.19 1lw5A1 LEU 338 HB3 0.57 -0.10 -0.03 -0.04 1.64 2.04 1lw5A1 LEU 338 HG 0.05 0.17 -0.02 -0.04 1.64 1.80 1lw5A1 LEU 338 HD13 -0.37 -0.01 -0.19 -0.04 0.93 0.32 1lw5A1 LEU 338 HD23 0.18 -0.01 -0.08 -0.04 0.89 0.94 1lw5A1 PHE 339 H 0.46 0.58 -0.22 -0.55 8.34 8.60 1lw5A1 PHE 339 HA 0.06 -0.03 0.36 -0.75 4.62 4.25 1lw5A1 PHE 339 HB2 -0.12 0.06 0.06 -0.04 3.15 3.11 1lw5A1 PHE 339 HB3 0.01 0.13 0.11 -0.04 3.06 3.27 1lw5A1 PHE 339 HD2 -0.56 -0.04 -0.15 -0.04 7.28 6.49 1lw5A1 PHE 339 HE2 -0.21 -0.00 -0.11 -0.04 7.38 7.02 1lw5A1 PHE 339 HZ -0.13 0.00 0.03 -0.04 7.32 7.18 1lw5A1 ARG 340 H 0.18 0.39 -0.24 -0.55 8.46 8.24 1lw5A1 ARG 340 HA -0.03 0.02 0.38 -0.75 4.34 3.96 1lw5A1 ARG 340 HB2 0.04 0.19 0.11 -0.04 1.90 2.20 1lw5A1 ARG 340 HB3 0.01 -0.08 0.05 -0.04 1.80 1.74 1lw5A1 ARG 340 HG2 0.10 -0.04 0.05 -0.04 1.67 1.74 1lw5A1 ARG 340 HG3 0.13 0.24 0.10 -0.04 1.67 2.10 1lw5A1 ARG 340 HD2 0.06 -0.04 0.00 -0.04 3.22 3.20 1lw5A1 ARG 340 HD3 0.05 -0.00 0.03 -0.04 3.22 3.26 1lw5A1 LYS 341 H 0.02 0.22 -0.47 -0.55 8.42 7.64 1lw5A1 LYS 341 HA -0.21 0.09 0.68 -0.75 4.32 4.12 1lw5A1 LYS 341 HB2 -0.13 0.08 0.16 -0.04 1.87 1.95 1lw5A1 LYS 341 HB3 -0.67 -0.07 0.01 -0.04 1.79 1.01 1lw5A1 LYS 341 HG2 -0.14 -0.06 0.00 -0.04 1.46 1.22 1lw5A1 LYS 341 HG3 -0.04 0.09 -0.00 -0.04 1.46 1.46 1lw5A1 LYS 341 HD2 0.05 0.03 -0.05 -0.04 1.69 1.68 1lw5A1 LYS 341 HD3 -0.07 -0.05 -0.02 -0.04 1.68 1.50 1lw5A1 LYS 341 HE2 -0.03 -0.05 -0.02 -0.04 2.99 2.85 1lw5A1 LYS 341 HE3 0.01 0.04 -0.03 -0.04 2.99 2.96 1lw5A1 PHE 342 H 0.09 0.66 0.08 -0.55 8.34 8.62 1lw5A1 PHE 342 HA -0.03 0.21 1.02 -0.75 4.62 5.06 1lw5A1 PHE 342 HB2 0.15 0.12 0.05 -0.04 3.15 3.44 1lw5A1 PHE 342 HB3 0.04 -0.20 0.18 -0.04 3.06 3.04 1lw5A1 PHE 342 HD2 0.17 0.05 0.00 -0.04 7.28 7.46 1lw5A1 PHE 342 HE2 0.05 -0.01 -0.05 -0.04 7.38 7.33 1lw5A1 PHE 342 HZ 0.04 -0.01 -0.04 -0.04 7.32 7.26 1lw5A1 SER 343 H -0.35 0.56 -0.13 -0.55 8.46 7.99 1lw5A1 SER 343 HA -0.39 0.10 0.35 -0.75 4.49 3.80 1lw5A1 SER 343 HB2 -0.81 -0.03 0.07 -0.04 3.95 3.14 1lw5A1 SER 343 HB3 -2.04 0.07 0.09 -0.04 3.93 2.01