============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. PHE 2 1.000 -11.647 18.476 43.272 -99.200 -91.000 TRP 8 1.040 -0.221 4.318 34.220 -99.200 -91.000 TRP6 8 1.020 -0.840 5.110 32.081 -99.200 -91.000 HIS 19 0.900 -3.412 18.502 45.869 -99.200 -91.000 HIS 31 0.900 10.961 26.398 34.511 -99.200 -91.000 PHE 48 1.000 -2.063 30.538 68.825 -99.200 -91.000 PHE 54 1.000 -0.875 18.459 67.045 -99.200 -91.000 TYR 58 0.840 -6.423 16.058 70.093 -99.200 -91.000 TYR 59 0.840 -9.430 20.170 71.020 -99.200 -91.000 PHE 65 1.000 -12.767 23.481 63.631 -99.200 -91.000 HIS 70 0.900 -10.644 23.726 68.294 -99.200 -91.000 TYR 87 0.840 2.477 24.032 71.873 -99.200 -91.000 TYR 96 0.840 -4.162 13.859 65.760 -99.200 -91.000 HIS 100 0.900 -3.058 11.799 62.722 -99.200 -91.000 TRP 102 1.040 4.033 4.547 60.756 -99.200 -91.000 TRP6 102 1.020 3.322 2.798 62.187 -99.200 -91.000 TRP 114 1.040 -2.834 5.184 60.017 -99.200 -91.000 TRP6 114 1.020 -3.683 6.770 61.551 -99.200 -91.000 PHE 120 1.000 6.598 2.144 75.534 -99.200 -91.000 HIS 129 0.900 23.994 6.470 83.991 -99.200 -91.000 PHE 132 1.000 21.202 1.139 79.204 -99.200 -91.000 TYR 134 0.840 11.456 7.047 79.972 -99.200 -91.000 HIS 138 0.900 11.093 1.811 71.381 -99.200 -91.000 TYR 141 0.840 5.026 -2.557 74.032 -99.200 -91.000 PHE 155 1.000 14.349 9.373 75.263 -99.200 -91.000 HIS 163 0.900 20.102 24.021 77.705 -99.200 -91.000 PHE 165 1.000 16.706 15.389 77.125 -99.200 -91.000 TRP 168 1.040 25.313 12.031 70.038 -99.200 -91.000 TRP6 168 1.020 27.473 12.934 69.710 -99.200 -91.000 TYR 175 0.840 24.697 -6.992 63.585 -99.200 -91.000 TYR 178 0.840 35.022 -2.852 64.660 -99.200 -91.000 PHE 194 1.000 27.300 5.455 67.004 -99.200 -91.000 TRP 203 1.040 31.861 -0.583 72.581 -99.200 -91.000 TRP6 203 1.020 31.916 -1.262 70.321 -99.200 -91.000 PHE 210 1.000 27.245 -10.354 60.887 -99.200 -91.000 PHE 227 1.000 24.204 5.205 79.408 -99.200 -91.000 HIS 241 0.900 18.155 -21.386 50.290 -99.200 -91.000 PHE 244 1.000 20.874 -23.172 47.373 -99.200 -91.000 TRP 246 1.040 25.603 -24.014 49.751 -99.200 -91.000 TRP6 246 1.020 25.418 -21.680 49.388 -99.200 -91.000 PHE 247 1.000 22.310 -17.904 52.718 -99.200 -91.000 TRP 254 1.040 19.993 -7.109 60.046 -99.200 -91.000 TRP6 254 1.020 22.085 -6.309 59.285 -99.200 -91.000 TYR 255 0.840 19.702 -4.692 63.355 -99.200 -91.000 PHE 272 1.000 8.081 16.363 71.028 -99.200 -91.000 PHE 277 1.000 10.975 5.934 63.199 -99.200 -91.000 TRP 280 1.040 6.196 -5.840 60.888 -99.200 -91.000 TRP6 280 1.020 4.427 -5.245 62.346 -99.200 -91.000 TYR 281 0.840 15.153 -5.015 59.757 -99.200 -91.000 TYR 291 0.840 22.560 -10.220 55.384 -99.200 -91.000 TYR 297 0.840 27.449 -6.799 57.268 -99.200 -91.000 TRP 318 1.040 27.252 -13.013 38.088 -99.200 -91.000 TRP6 318 1.020 28.052 -12.247 40.176 -99.200 -91.000 TYR 332 0.840 13.811 -22.047 56.222 -99.200 -91.000 PHE 334 1.000 14.586 -11.717 60.583 -99.200 -91.000 HIS 344 0.900 10.013 -8.907 47.661 -99.200 -91.000 HIS 345 0.900 6.437 -10.807 45.703 -99.200 -91.000 PHE 351 1.000 1.899 2.667 50.340 -99.200 -91.000 HIS 354 0.900 -2.285 3.299 54.707 -99.200 -91.000 TYR 359 0.840 -5.045 8.891 46.728 -99.200 -91.000 TRP 369 1.040 6.625 4.662 41.699 -99.200 -91.000 TRP6 369 1.020 8.566 3.706 40.730 -99.200 -91.000 TRP 371 1.040 13.545 6.683 49.831 -99.200 -91.000 TRP6 371 1.020 14.407 6.068 51.942 -99.200 -91.000 PHE 384 1.000 7.856 -0.607 37.663 -99.200 -91.000 HIS 385 0.900 3.019 -2.631 37.174 -99.200 -91.000 TYR 391 0.840 0.310 15.263 49.444 -99.200 -91.000 PHE 397 1.000 8.358 9.903 62.929 -99.200 -91.000 TYR 399 0.840 15.943 11.922 55.848 -99.200 -91.000 TRP 404 1.040 29.226 12.639 63.554 -99.200 -91.000 TRP6 404 1.020 27.666 10.863 63.696 -99.200 -91.000 HIS 407 0.900 27.499 18.038 72.211 -99.200 -91.000 TRP 409 1.040 32.382 17.221 71.472 -99.200 -91.000 TRP6 409 1.020 32.022 15.065 72.370 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lzxB1 ARG 299 HA 0.08 -0.11 0.22 -0.75 4.34 3.78 1lzxB1 ARG 299 HB2 0.02 -0.03 0.04 -0.04 1.90 1.88 1lzxB1 ARG 299 HB3 0.05 -0.00 -0.00 -0.04 1.80 1.81 1lzxB1 ARG 299 HG2 0.10 0.12 -0.26 -0.04 1.67 1.60 1lzxB1 ARG 299 HG3 0.07 -0.05 0.01 -0.04 1.67 1.66 1lzxB1 ARG 299 HD2 0.10 -0.00 -0.14 -0.04 3.22 3.14 1lzxB1 ARG 299 HD3 0.04 -0.01 -0.06 -0.04 3.22 3.14 1lzxB1 PHE 300 H 0.36 0.07 0.12 -0.55 8.34 8.34 1lzxB1 PHE 300 HA 0.12 0.32 0.93 -0.75 4.62 5.24 1lzxB1 PHE 300 HB2 0.03 -0.06 0.05 -0.04 3.15 3.12 1lzxB1 PHE 300 HB3 0.04 -0.03 -0.06 -0.04 3.06 2.97 1lzxB1 PHE 300 HD2 0.02 -0.04 -0.06 -0.04 7.28 7.16 1lzxB1 PHE 300 HE2 -0.00 -0.00 -0.05 -0.04 7.38 7.28 1lzxB1 PHE 300 HZ -0.01 -0.01 -0.05 -0.04 7.32 7.21 1lzxB1 LEU 301 H 0.17 0.45 0.26 -0.55 8.37 8.71 1lzxB1 LEU 301 HA 0.04 0.14 0.98 -0.75 4.35 4.76 1lzxB1 LEU 301 HB2 -0.15 0.02 0.15 -0.04 1.64 1.62 1lzxB1 LEU 301 HB3 -0.06 0.02 -0.05 -0.04 1.64 1.51 1lzxB1 LEU 301 HG -0.26 0.05 -0.34 -0.04 1.64 1.04 1lzxB1 LEU 301 HD13 -0.70 -0.01 -0.09 -0.04 0.93 0.09 1lzxB1 LEU 301 HD23 -0.06 0.02 -0.00 -0.04 0.89 0.81 1lzxB1 LYS 302 H 0.05 0.14 0.14 -0.55 8.42 8.19 1lzxB1 LYS 302 HA 0.06 0.34 0.85 -0.75 4.32 4.82 1lzxB1 LYS 302 HB2 0.01 -0.04 0.09 -0.04 1.87 1.89 1lzxB1 LYS 302 HB3 -0.01 0.01 -0.05 -0.04 1.79 1.70 1lzxB1 LYS 302 HG2 0.04 -0.04 -0.09 -0.04 1.46 1.33 1lzxB1 LYS 302 HG3 -0.00 -0.01 -0.04 -0.04 1.46 1.36 1lzxB1 LYS 302 HD2 -0.01 0.03 -0.15 -0.04 1.69 1.51 1lzxB1 LYS 302 HD3 0.05 0.02 -0.19 -0.04 1.68 1.51 1lzxB1 LYS 302 HE2 -0.03 -0.01 -0.09 -0.04 2.99 2.82 1lzxB1 LYS 302 HE3 -0.02 0.02 -0.13 -0.04 2.99 2.81 1lzxB1 VAL 303 H -0.01 0.70 0.37 -0.55 8.24 8.75 1lzxB1 VAL 303 HA 0.04 0.11 0.81 -0.75 4.13 4.33 1lzxB1 VAL 303 HB -0.04 -0.02 0.01 -0.04 2.12 2.03 1lzxB1 VAL 303 HG13 -0.03 -0.03 -0.22 -0.04 0.97 0.66 1lzxB1 VAL 303 HG23 0.15 -0.01 -0.30 -0.04 0.95 0.74 1lzxB1 LYS 304 H 0.01 0.18 0.17 -0.55 8.42 8.22 1lzxB1 LYS 304 HA -0.15 0.34 1.18 -0.75 4.32 4.95 1lzxB1 LYS 304 HB2 -0.25 0.01 -0.14 -0.04 1.87 1.45 1lzxB1 LYS 304 HB3 -0.29 -0.03 0.03 -0.04 1.79 1.46 1lzxB1 LYS 304 HG2 -0.95 -0.08 -0.57 -0.04 1.46 -0.18 1lzxB1 LYS 304 HG3 -0.44 0.09 -0.21 -0.04 1.46 0.86 1lzxB1 LYS 304 HD2 -0.56 0.01 -0.10 -0.04 1.69 1.00 1lzxB1 LYS 304 HD3 -1.39 -0.03 -0.11 -0.04 1.68 0.11 1lzxB1 LYS 304 HE2 -1.51 -0.04 -0.15 -0.04 2.99 1.25 1lzxB1 LYS 304 HE3 -0.57 0.04 -0.09 -0.04 2.99 2.32 1lzxB1 ASN 305 H -0.14 0.63 0.20 -0.55 8.53 8.68 1lzxB1 ASN 305 HA 0.15 0.31 1.03 -0.75 4.76 5.51 1lzxB1 ASN 305 HB2 0.02 0.10 0.07 -0.04 2.88 3.03 1lzxB1 ASN 305 HB3 -0.01 -0.12 0.25 -0.04 2.79 2.86 1lzxB1 ASN 305 HD21 0.17 0.07 -0.09 -0.04 7.03 7.14 1lzxB1 ASN 305 HD22 0.11 0.05 -0.06 -0.04 7.74 7.80 1lzxB1 TRP 306 H 0.51 0.63 0.26 -0.55 7.97 8.82 1lzxB1 TRP 306 HA 0.05 0.08 0.44 -0.75 4.62 4.43 1lzxB1 TRP 306 HB2 0.16 0.07 0.13 -0.04 3.23 3.54 1lzxB1 TRP 306 HB3 0.09 -0.01 0.18 -0.04 3.23 3.45 1lzxB1 TRP 306 HD1 0.06 0.19 0.08 -0.04 7.22 7.51 1lzxB1 TRP 306 HE1 -0.01 -0.00 0.00 -0.04 10.20 10.15 1lzxB1 TRP 306 HE3 0.04 -0.00 0.03 -0.04 7.59 7.61 1lzxB1 TRP 306 HZ2 -0.01 0.00 -0.02 -0.04 7.44 7.37 1lzxB1 TRP 306 HZ3 0.01 -0.01 -0.01 -0.04 7.13 7.09 1lzxB1 TRP 306 HH2 0.00 -0.01 -0.02 -0.04 7.19 7.13 1lzxB1 GLU 307 H 0.16 -0.03 -0.52 -0.55 8.60 7.66 1lzxB1 GLU 307 HA 0.04 0.22 0.83 -0.75 4.29 4.63 1lzxB1 GLU 307 HB2 -0.09 0.01 -0.01 -0.04 2.09 1.96 1lzxB1 GLU 307 HB3 0.06 -0.03 0.02 -0.04 1.99 2.00 1lzxB1 GLU 307 HG2 -0.03 0.01 -0.10 -0.04 2.34 2.18 1lzxB1 GLU 307 HG3 -0.17 0.02 0.04 -0.04 2.34 2.20 1lzxB1 THR 308 H 0.03 0.01 0.04 -0.55 8.28 7.82 1lzxB1 THR 308 HA -0.00 0.28 0.92 -0.75 4.39 4.83 1lzxB1 THR 308 HB -0.01 0.04 0.14 -0.04 4.32 4.45 1lzxB1 THR 308 HG23 0.02 0.01 -0.09 -0.04 1.22 1.11 1lzxB1 ASP 309 H -0.05 0.35 0.12 -0.55 8.40 8.26 1lzxB1 ASP 309 HA -0.19 0.04 0.29 -0.75 4.63 4.02 1lzxB1 ASP 309 HB2 -0.06 0.27 -0.13 -0.04 2.71 2.75 1lzxB1 ASP 309 HB3 -0.09 -0.04 0.14 -0.04 2.70 2.66 1lzxB1 VAL 310 H -0.06 -0.10 -0.62 -0.55 8.24 6.91 1lzxB1 VAL 310 HA -0.07 0.09 0.46 -0.75 4.13 3.85 1lzxB1 VAL 310 HB -0.06 -0.10 0.07 -0.04 2.12 1.99 1lzxB1 VAL 310 HG13 -0.07 0.01 -0.16 -0.04 0.97 0.71 1lzxB1 VAL 310 HG23 -0.04 0.02 -0.01 -0.04 0.95 0.88 1lzxB1 VAL 311 H -0.09 0.19 0.24 -0.55 8.24 8.02 1lzxB1 VAL 311 HA -0.13 0.26 1.14 -0.75 4.13 4.65 1lzxB1 VAL 311 HB -0.08 -0.03 0.12 -0.04 2.12 2.08 1lzxB1 VAL 311 HG13 -0.07 -0.01 -0.18 -0.04 0.97 0.67 1lzxB1 VAL 311 HG23 -0.15 0.05 -0.12 -0.04 0.95 0.68 1lzxB1 LEU 312 H -0.13 0.87 0.41 -0.55 8.37 8.96 1lzxB1 LEU 312 HA -0.08 0.20 1.00 -0.75 4.35 4.71 1lzxB1 LEU 312 HB2 -0.62 -0.01 0.02 -0.04 1.64 0.98 1lzxB1 LEU 312 HB3 -0.54 0.02 0.03 -0.04 1.64 1.10 1lzxB1 LEU 312 HG -0.26 -0.03 -0.25 -0.04 1.64 1.06 1lzxB1 LEU 312 HD13 -0.64 0.01 -0.11 -0.04 0.93 0.15 1lzxB1 LEU 312 HD23 -0.13 0.04 -0.13 -0.04 0.89 0.63 1lzxB1 THR 313 H 0.14 0.22 0.15 -0.55 8.28 8.23 1lzxB1 THR 313 HA 0.16 0.24 0.98 -0.75 4.39 5.01 1lzxB1 THR 313 HB 0.16 0.02 0.09 -0.04 4.32 4.55 1lzxB1 THR 313 HG23 0.31 -0.01 -0.21 -0.04 1.22 1.28 1lzxB1 ASP 314 H 0.22 0.70 0.32 -0.55 8.40 9.09 1lzxB1 ASP 314 HA 0.08 0.32 1.05 -0.75 4.63 5.34 1lzxB1 ASP 314 HB2 0.32 -0.02 -0.02 -0.04 2.71 2.95 1lzxB1 ASP 314 HB3 0.14 0.03 0.18 -0.04 2.70 3.01 1lzxB1 THR 315 H -0.01 0.61 0.47 -0.55 8.28 8.80 1lzxB1 THR 315 HA -0.16 0.30 1.01 -0.75 4.39 4.79 1lzxB1 THR 315 HB -0.26 0.00 0.09 -0.04 4.32 4.11 1lzxB1 THR 315 HG23 -0.29 0.01 -0.12 -0.04 1.22 0.78 1lzxB1 LEU 316 H -0.08 0.47 0.26 -0.55 8.37 8.48 1lzxB1 LEU 316 HA -0.14 0.12 0.35 -0.75 4.35 3.92 1lzxB1 LEU 316 HB2 -0.08 0.09 -0.45 -0.04 1.64 1.16 1lzxB1 LEU 316 HB3 0.08 -0.09 -0.18 -0.04 1.64 1.41 1lzxB1 LEU 316 HG -0.06 0.18 -0.09 -0.04 1.64 1.63 1lzxB1 LEU 316 HD13 -0.02 0.01 -0.30 -0.04 0.93 0.59 1lzxB1 LEU 316 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.74 1lzxB1 HIS 317 H -0.13 0.08 -0.40 -0.55 8.41 7.41 1lzxB1 HIS 317 HA -1.38 0.04 0.20 -0.75 4.63 2.73 1lzxB1 HIS 317 HB2 -0.70 0.00 -0.04 -0.04 3.26 2.49 1lzxB1 HIS 317 HB3 -0.75 -0.06 -0.07 -0.04 3.20 2.28 1lzxB1 HIS 317 HD2 -0.17 -0.03 -0.23 -0.04 6.97 6.50 1lzxB1 HIS 317 HE1 -0.13 0.24 0.11 -0.04 7.75 7.92 1lzxB1 LEU 318 H -0.71 0.49 -0.57 -0.55 8.37 7.03 1lzxB1 LEU 318 HA -0.42 0.03 0.41 -0.75 4.35 3.61 1lzxB1 LEU 318 HB2 -0.34 0.08 0.09 -0.04 1.64 1.43 1lzxB1 LEU 318 HB3 -0.28 -0.08 0.07 -0.04 1.64 1.31 1lzxB1 LEU 318 HG -0.86 -0.01 0.13 -0.04 1.64 0.86 1lzxB1 LEU 318 HD13 -0.35 0.01 0.08 -0.04 0.93 0.63 1lzxB1 LEU 318 HD23 -0.34 0.01 0.05 -0.04 0.89 0.56 1lzxB1 LYS 319 H -0.25 0.58 -0.26 -0.55 8.42 7.94 1lzxB1 LYS 319 HA -0.11 0.11 0.63 -0.75 4.32 4.20 1lzxB1 LYS 319 HB2 -0.09 0.13 0.09 -0.04 1.87 1.95 1lzxB1 LYS 319 HB3 -0.06 -0.08 0.16 -0.04 1.79 1.77 1lzxB1 LYS 319 HG2 -0.10 -0.03 -0.04 -0.04 1.46 1.26 1lzxB1 LYS 319 HG3 -0.14 -0.01 -0.07 -0.04 1.46 1.19 1lzxB1 LYS 319 HD2 -0.09 0.05 0.02 -0.04 1.69 1.63 1lzxB1 LYS 319 HD3 -0.07 -0.04 0.02 -0.04 1.68 1.55 1lzxB1 LYS 319 HE2 -0.09 -0.05 -0.02 -0.04 2.99 2.79 1lzxB1 LYS 319 HE3 -0.11 0.02 -0.03 -0.04 2.99 2.82 1lzxB1 SER 320 H -0.18 0.46 -0.59 -0.55 8.46 7.59 1lzxB1 SER 320 HA 0.00 0.07 0.60 -0.75 4.49 4.42 1lzxB1 SER 320 HB2 -0.12 -0.14 -0.03 -0.04 3.95 3.62 1lzxB1 SER 320 HB3 -0.14 0.26 0.15 -0.04 3.93 4.16 1lzxB1 THR 321 H 0.01 0.12 0.27 -0.55 8.28 8.13 1lzxB1 THR 321 HA -0.01 0.24 0.99 -0.75 4.39 4.85 1lzxB1 THR 321 HB -0.01 0.05 -0.06 -0.04 4.32 4.26 1lzxB1 THR 321 HG23 0.00 -0.01 0.08 -0.04 1.22 1.25 1lzxB1 LEU 322 H 0.01 0.08 0.14 -0.55 8.37 8.06 1lzxB1 LEU 322 HA 0.00 0.02 0.39 -0.75 4.35 4.01 1lzxB1 LEU 322 HB2 0.01 0.01 0.03 -0.04 1.64 1.65 1lzxB1 LEU 322 HB3 0.00 0.01 0.09 -0.04 1.64 1.70 1lzxB1 LEU 322 HG 0.00 -0.03 -0.00 -0.04 1.64 1.57 1lzxB1 LEU 322 HD13 -0.02 0.00 -0.12 -0.04 0.93 0.75 1lzxB1 LEU 322 HD23 -0.00 -0.00 -0.06 -0.04 0.89 0.78 1lzxB1 GLU 323 H 0.01 0.05 0.15 -0.55 8.60 8.26 1lzxB1 GLU 323 HA 0.02 0.18 0.60 -0.75 4.29 4.34 1lzxB1 GLU 323 HB2 0.01 0.02 0.06 -0.04 2.09 2.14 1lzxB1 GLU 323 HB3 0.02 -0.16 0.12 -0.04 1.99 1.92 1lzxB1 GLU 323 HG2 0.01 0.06 0.03 -0.04 2.34 2.40 1lzxB1 GLU 323 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 1lzxB1 THR 324 H 0.02 0.06 0.21 -0.55 8.28 8.02 1lzxB1 THR 324 HA 0.02 0.30 0.94 -0.75 4.39 4.90 1lzxB1 THR 324 HB 0.04 0.02 0.06 -0.04 4.32 4.40 1lzxB1 THR 324 HG23 0.06 0.04 -0.06 -0.04 1.22 1.22 1lzxB1 GLY 325 H 0.02 0.09 0.12 -0.55 8.43 8.11 1lzxB1 GLY 325 HA2 0.02 0.02 0.31 -0.51 4.01 3.85 1lzxB1 GLY 325 HA3 0.03 0.21 0.79 -0.51 4.01 4.53 1lzxB1 CYS 326 H 0.03 0.02 -0.21 -0.55 8.50 7.78 1lzxB1 CYS 326 HA 0.03 0.17 0.83 -0.75 4.58 4.85 1lzxB1 CYS 326 HB2 0.02 0.01 0.05 -0.04 2.97 3.01 1lzxB1 CYS 326 HB3 0.02 0.19 0.18 -0.04 2.97 3.32 1lzxB1 THR 327 H 0.02 0.62 0.41 -0.55 8.28 8.78 1lzxB1 THR 327 HA 0.01 0.25 0.90 -0.75 4.39 4.80 1lzxB1 THR 327 HB 0.03 -0.00 0.19 -0.04 4.32 4.50 1lzxB1 THR 327 HG23 0.04 0.05 -0.12 -0.04 1.22 1.15 1lzxB1 GLU 328 H -0.06 0.20 0.15 -0.55 8.60 8.35 1lzxB1 GLU 328 HA -0.09 0.15 0.44 -0.75 4.29 4.04 1lzxB1 GLU 328 HB2 -0.33 -0.00 0.06 -0.04 2.09 1.78 1lzxB1 GLU 328 HB3 -0.19 0.05 0.15 -0.04 1.99 1.95 1lzxB1 GLU 328 HG2 -0.06 0.05 0.02 -0.04 2.34 2.30 1lzxB1 GLU 328 HG3 -0.07 -0.05 0.10 -0.04 2.34 2.29 1lzxB1 HIS 329 H 0.02 -0.15 -0.62 -0.55 8.41 7.12 1lzxB1 HIS 329 HA 0.00 0.26 0.93 -0.75 4.63 5.07 1lzxB1 HIS 329 HB2 0.01 -0.05 -0.01 -0.04 3.26 3.17 1lzxB1 HIS 329 HB3 0.00 0.03 0.04 -0.04 3.20 3.22 1lzxB1 HIS 329 HD2 0.01 -0.02 -0.05 -0.04 6.97 6.87 1lzxB1 HIS 329 HE1 0.00 0.01 -0.02 -0.04 7.75 7.70 1lzxB1 ILE 330 H 0.05 0.10 -0.03 -0.55 8.25 7.83 1lzxB1 ILE 330 HA 0.04 0.17 0.68 -0.75 4.18 4.32 1lzxB1 ILE 330 HB 0.05 0.09 -0.19 -0.04 1.89 1.81 1lzxB1 ILE 330 HG12 0.03 -0.01 -0.35 -0.04 1.49 1.11 1lzxB1 ILE 330 HG13 0.03 0.02 0.08 -0.04 1.21 1.29 1lzxB1 ILE 330 HG23 0.04 -0.03 -0.03 -0.04 0.93 0.88 1lzxB1 ILE 330 HD13 0.03 0.01 -0.06 -0.04 0.88 0.81 1lzxB1 CYS 331 H 0.02 0.23 0.14 -0.55 8.50 8.34 1lzxB1 CYS 331 HA 0.02 0.13 0.96 -0.75 4.58 4.94 1lzxB1 CYS 331 HB2 0.00 0.10 0.04 -0.04 2.97 3.07 1lzxB1 CYS 331 HB3 0.00 0.03 0.18 -0.04 2.97 3.14 1lzxB1 MET 332 H 0.03 0.23 0.01 -0.55 8.47 8.19 1lzxB1 MET 332 HA 0.04 0.18 0.79 -0.75 4.52 4.78 1lzxB1 MET 332 HB2 0.04 0.06 -0.03 -0.04 2.15 2.18 1lzxB1 MET 332 HB3 0.04 -0.02 0.13 -0.04 2.03 2.14 1lzxB1 MET 332 HG2 0.03 -0.02 -0.26 -0.04 2.63 2.33 1lzxB1 MET 332 HG3 0.03 0.11 -0.14 -0.04 2.56 2.52 1lzxB1 MET 332 HE3 0.03 -0.04 0.07 -0.04 2.10 2.11 1lzxB1 GLY 333 H 0.03 0.11 -0.39 -0.55 8.43 7.64 1lzxB1 GLY 333 HA2 0.06 0.14 0.34 -0.51 4.01 4.04 1lzxB1 GLY 333 HA3 0.05 0.02 0.26 -0.51 4.01 3.84 1lzxB1 SER 334 H 0.06 0.04 -0.39 -0.55 8.46 7.63 1lzxB1 SER 334 HA 0.15 0.21 0.71 -0.75 4.49 4.80 1lzxB1 SER 334 HB2 0.09 0.03 0.09 -0.04 3.95 4.11 1lzxB1 SER 334 HB3 0.07 -0.04 -0.03 -0.04 3.93 3.90 1lzxB1 ILE 335 H 0.08 0.41 -0.33 -0.55 8.25 7.86 1lzxB1 ILE 335 HA 0.08 0.01 0.54 -0.75 4.18 4.06 1lzxB1 ILE 335 HB 0.06 0.17 0.10 -0.04 1.89 2.18 1lzxB1 ILE 335 HG12 0.05 -0.13 0.01 -0.04 1.49 1.37 1lzxB1 ILE 335 HG13 0.04 0.00 0.02 -0.04 1.21 1.24 1lzxB1 ILE 335 HG23 0.05 -0.05 -0.21 -0.04 0.93 0.68 1lzxB1 ILE 335 HD13 0.04 0.01 -0.07 -0.04 0.88 0.82 1lzxB1 MET 336 H 0.10 0.09 0.12 -0.55 8.47 8.24 1lzxB1 MET 336 HA 0.26 0.09 0.30 -0.75 4.52 4.41 1lzxB1 MET 336 HB2 0.13 0.00 0.12 -0.04 2.15 2.36 1lzxB1 MET 336 HB3 0.07 -0.04 0.08 -0.04 2.03 2.09 1lzxB1 MET 336 HG2 0.03 -0.01 -0.07 -0.04 2.63 2.54 1lzxB1 MET 336 HG3 0.16 0.04 -0.02 -0.04 2.56 2.69 1lzxB1 MET 336 HE3 0.10 -0.00 0.02 -0.04 2.10 2.17 1lzxB1 LEU 337 H 0.06 0.00 -0.29 -0.55 8.37 7.59 1lzxB1 LEU 337 HA 0.12 0.20 0.55 -0.75 4.35 4.47 1lzxB1 LEU 337 HB2 0.06 0.05 0.03 -0.04 1.64 1.74 1lzxB1 LEU 337 HB3 -0.09 0.08 -0.13 -0.04 1.64 1.47 1lzxB1 LEU 337 HG -0.01 0.01 0.08 -0.04 1.64 1.68 1lzxB1 LEU 337 HD13 -0.15 0.00 -0.05 -0.04 0.93 0.69 1lzxB1 LEU 337 HD23 -0.02 -0.03 -0.10 -0.04 0.89 0.70 1lzxB1 PRO 338 HA 0.04 0.13 0.40 -0.51 4.44 4.50 1lzxB1 PRO 338 HB2 0.03 -0.01 0.07 -0.04 2.28 2.34 1lzxB1 PRO 338 HB3 0.04 -0.03 0.01 -0.04 2.02 2.00 1lzxB1 PRO 338 HG2 0.04 0.06 -0.01 -0.04 2.03 2.08 1lzxB1 PRO 338 HG3 0.04 0.13 0.04 -0.04 2.03 2.20 1lzxB1 PRO 338 HD2 0.07 0.16 -0.03 -0.04 3.68 3.84 1lzxB1 PRO 338 HD3 0.07 0.22 -0.27 -0.04 3.65 3.62 1lzxB1 VAL 348 HA -0.01 -0.08 0.14 -0.75 4.13 3.43 1lzxB1 VAL 348 HB 0.00 -0.00 -0.12 -0.04 2.12 1.96 1lzxB1 VAL 348 HG13 0.00 -0.02 0.04 -0.04 0.97 0.95 1lzxB1 VAL 348 HG23 0.00 0.02 -0.14 -0.04 0.95 0.79 1lzxB1 ARG 349 H -0.01 0.10 0.06 -0.55 8.46 8.05 1lzxB1 ARG 349 HA 0.00 0.10 0.66 -0.75 4.34 4.35 1lzxB1 ARG 349 HB2 -0.01 0.04 0.05 -0.04 1.90 1.94 1lzxB1 ARG 349 HB3 0.01 0.00 -0.07 -0.04 1.80 1.70 1lzxB1 ARG 349 HG2 -0.00 -0.03 -0.01 -0.04 1.67 1.59 1lzxB1 ARG 349 HG3 -0.02 0.02 -0.04 -0.04 1.67 1.60 1lzxB1 ARG 349 HD2 -0.01 0.13 -0.01 -0.04 3.22 3.30 1lzxB1 ARG 349 HD3 0.01 -0.02 -0.12 -0.04 3.22 3.04 1lzxB1 THR 350 H 0.01 0.06 0.15 -0.55 8.28 7.96 1lzxB1 THR 350 HA 0.01 0.28 0.82 -0.75 4.39 4.75 1lzxB1 THR 350 HB 0.02 -0.11 0.14 -0.04 4.32 4.32 1lzxB1 THR 350 HG23 0.01 -0.14 0.05 -0.04 1.22 1.11 1lzxB1 LYS 351 H 0.02 0.23 0.17 -0.55 8.42 8.29 1lzxB1 LYS 351 HA 0.05 0.16 0.35 -0.75 4.32 4.13 1lzxB1 LYS 351 HB2 0.02 -0.05 0.07 -0.04 1.87 1.87 1lzxB1 LYS 351 HB3 0.02 0.01 0.02 -0.04 1.79 1.80 1lzxB1 LYS 351 HG2 0.03 0.12 0.10 -0.04 1.46 1.67 1lzxB1 LYS 351 HG3 0.02 -0.03 0.16 -0.04 1.46 1.56 1lzxB1 LYS 351 HD2 0.01 -0.07 0.05 -0.04 1.69 1.64 1lzxB1 LYS 351 HD3 0.01 0.01 0.03 -0.04 1.68 1.68 1lzxB1 LYS 351 HE2 0.01 0.06 0.03 -0.04 2.99 3.05 1lzxB1 LYS 351 HE3 0.01 -0.04 0.03 -0.04 2.99 2.95 1lzxB1 ASP 352 H 0.03 0.02 -0.42 -0.55 8.40 7.47 1lzxB1 ASP 352 HA 0.03 0.09 0.40 -0.75 4.63 4.40 1lzxB1 ASP 352 HB2 0.02 0.00 0.08 -0.04 2.71 2.77 1lzxB1 ASP 352 HB3 0.02 -0.07 0.10 -0.04 2.70 2.71 1lzxB1 GLN 353 H 0.03 0.09 -0.02 -0.55 8.47 8.03 1lzxB1 GLN 353 HA 0.04 0.11 0.50 -0.75 4.36 4.26 1lzxB1 GLN 353 HB2 0.02 0.02 0.16 -0.04 2.15 2.31 1lzxB1 GLN 353 HB3 0.02 -0.02 0.09 -0.04 2.02 2.08 1lzxB1 GLN 353 HG2 0.02 0.15 -0.11 -0.04 2.40 2.42 1lzxB1 GLN 353 HG3 0.01 0.05 0.03 -0.04 2.39 2.43 1lzxB1 GLN 353 HE21 0.01 0.05 0.08 -0.04 6.97 7.07 1lzxB1 GLN 353 HE22 0.01 0.11 0.07 -0.04 7.69 7.83 1lzxB1 LEU 354 H 0.07 0.24 -0.82 -0.55 8.37 7.31 1lzxB1 LEU 354 HA 0.06 0.13 0.73 -0.75 4.35 4.52 1lzxB1 LEU 354 HB2 0.07 0.09 -0.14 -0.04 1.64 1.61 1lzxB1 LEU 354 HB3 0.11 0.04 0.06 -0.04 1.64 1.81 1lzxB1 LEU 354 HG 0.20 -0.07 -0.27 -0.04 1.64 1.45 1lzxB1 LEU 354 HD13 0.11 -0.01 -0.05 -0.04 0.93 0.94 1lzxB1 LEU 354 HD23 0.14 -0.01 -0.07 -0.04 0.89 0.90 1lzxB1 PHE 355 H 0.19 0.40 0.09 -0.55 8.34 8.47 1lzxB1 PHE 355 HA -0.05 0.02 0.35 -0.75 4.62 4.20 1lzxB1 PHE 355 HB2 -0.03 0.06 0.15 -0.04 3.15 3.29 1lzxB1 PHE 355 HB3 -0.02 0.09 0.11 -0.04 3.06 3.20 1lzxB1 PHE 355 HD2 -0.07 0.05 -0.11 -0.04 7.28 7.11 1lzxB1 PHE 355 HE2 -0.07 0.04 0.00 -0.04 7.38 7.30 1lzxB1 PHE 355 HZ -0.07 -0.01 -0.04 -0.04 7.32 7.15 1lzxB1 PRO 356 HA -0.06 0.03 0.43 -0.51 4.44 4.33 1lzxB1 PRO 356 HB2 0.01 0.05 -0.06 -0.04 2.28 2.24 1lzxB1 PRO 356 HB3 0.05 0.02 0.06 -0.04 2.02 2.11 1lzxB1 PRO 356 HG2 0.03 0.13 -0.20 -0.04 2.03 1.96 1lzxB1 PRO 356 HG3 0.05 0.07 0.03 -0.04 2.03 2.14 1lzxB1 PRO 356 HD2 0.11 -0.02 -0.32 -0.04 3.68 3.41 1lzxB1 PRO 356 HD3 0.15 0.16 0.11 -0.04 3.65 4.03 1lzxB1 LEU 357 H -0.00 0.34 -0.44 -0.55 8.37 7.72 1lzxB1 LEU 357 HA 0.01 0.02 0.36 -0.75 4.35 3.98 1lzxB1 LEU 357 HB2 0.03 0.25 0.04 -0.04 1.64 1.92 1lzxB1 LEU 357 HB3 0.02 -0.19 -0.22 -0.04 1.64 1.21 1lzxB1 LEU 357 HG 0.01 0.16 0.08 -0.04 1.64 1.85 1lzxB1 LEU 357 HD13 0.01 -0.03 0.03 -0.04 0.93 0.89 1lzxB1 LEU 357 HD23 0.01 -0.03 -0.05 -0.04 0.89 0.78 1lzxB1 ALA 358 H -0.09 0.51 -0.19 -0.55 8.40 8.09 1lzxB1 ALA 358 HA 0.10 0.01 0.50 -0.75 4.34 4.19 1lzxB1 ALA 358 HB3 -0.33 0.02 0.06 -0.04 1.41 1.11 1lzxB1 LYS 359 H -0.47 0.88 -0.02 -0.55 8.42 8.26 1lzxB1 LYS 359 HA -0.27 -0.05 0.37 -0.75 4.32 3.61 1lzxB1 LYS 359 HB2 -0.85 0.03 0.09 -0.04 1.87 1.10 1lzxB1 LYS 359 HB3 -0.24 0.12 0.14 -0.04 1.79 1.77 1lzxB1 LYS 359 HG2 -0.06 -0.01 -0.19 -0.04 1.46 1.16 1lzxB1 LYS 359 HG3 -0.13 -0.07 0.01 -0.04 1.46 1.23 1lzxB1 LYS 359 HD2 0.07 -0.01 -0.03 -0.04 1.69 1.67 1lzxB1 LYS 359 HD3 -0.01 0.04 -0.03 -0.04 1.68 1.63 1lzxB1 LYS 359 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.89 1lzxB1 LYS 359 HE3 0.05 0.01 -0.03 -0.04 2.99 2.97 1lzxB1 GLU 360 H -0.05 0.61 -0.17 -0.55 8.60 8.45 1lzxB1 GLU 360 HA 0.02 0.01 0.38 -0.75 4.29 3.95 1lzxB1 GLU 360 HB2 0.04 0.08 0.15 -0.04 2.09 2.32 1lzxB1 GLU 360 HB3 0.04 0.00 -0.02 -0.04 1.99 1.98 1lzxB1 GLU 360 HG2 0.01 -0.04 0.04 -0.04 2.34 2.30 1lzxB1 GLU 360 HG3 -0.01 0.19 0.08 -0.04 2.34 2.57 1lzxB1 PHE 361 H 0.18 0.46 -0.21 -0.55 8.34 8.21 1lzxB1 PHE 361 HA 0.05 0.07 0.44 -0.75 4.62 4.43 1lzxB1 PHE 361 HB2 0.05 -0.05 0.20 -0.04 3.15 3.30 1lzxB1 PHE 361 HB3 0.04 0.18 0.25 -0.04 3.06 3.49 1lzxB1 PHE 361 HD2 0.10 0.07 -0.00 -0.04 7.28 7.40 1lzxB1 PHE 361 HE2 0.12 -0.00 -0.06 -0.04 7.38 7.40 1lzxB1 PHE 361 HZ 0.14 0.22 0.01 -0.04 7.32 7.65 1lzxB1 LEU 362 H 0.10 0.72 0.00 -0.55 8.37 8.64 1lzxB1 LEU 362 HA -0.13 -0.06 0.41 -0.75 4.35 3.81 1lzxB1 LEU 362 HB2 0.05 0.12 0.10 -0.04 1.64 1.86 1lzxB1 LEU 362 HB3 0.17 -0.09 0.02 -0.04 1.64 1.70 1lzxB1 LEU 362 HG 0.17 0.19 0.08 -0.04 1.64 2.04 1lzxB1 LEU 362 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.69 1lzxB1 LEU 362 HD23 0.16 -0.03 -0.02 -0.04 0.89 0.96 1lzxB1 ASP 363 H 0.04 0.69 -0.25 -0.55 8.40 8.33 1lzxB1 ASP 363 HA 0.10 -0.09 0.44 -0.75 4.63 4.34 1lzxB1 ASP 363 HB2 0.09 0.23 0.20 -0.04 2.71 3.19 1lzxB1 ASP 363 HB3 0.28 -0.05 0.02 -0.04 2.70 2.90 1lzxB1 GLN 364 H -0.04 0.57 -0.09 -0.55 8.47 8.35 1lzxB1 GLN 364 HA -0.06 0.02 0.43 -0.75 4.36 3.99 1lzxB1 GLN 364 HB2 -0.07 0.13 0.27 -0.04 2.15 2.43 1lzxB1 GLN 364 HB3 -0.02 -0.03 0.04 -0.04 2.02 1.97 1lzxB1 GLN 364 HG2 -0.02 -0.03 0.06 -0.04 2.40 2.38 1lzxB1 GLN 364 HG3 0.00 0.06 0.10 -0.04 2.39 2.51 1lzxB1 GLN 364 HE21 0.04 0.04 0.03 -0.04 6.97 7.04 1lzxB1 GLN 364 HE22 0.01 -0.03 0.02 -0.04 7.69 7.65 1lzxB1 TYR 365 H -0.38 0.72 0.03 -0.55 8.29 8.10 1lzxB1 TYR 365 HA -1.29 0.06 0.38 -0.75 4.56 2.96 1lzxB1 TYR 365 HB2 -1.17 0.02 0.06 -0.04 3.06 1.93 1lzxB1 TYR 365 HB3 -0.59 0.02 0.17 -0.04 2.98 2.53 1lzxB1 TYR 365 HD2 -1.04 0.04 -0.05 -0.04 7.15 6.07 1lzxB1 TYR 365 HE2 -0.46 0.02 -0.11 -0.04 6.85 6.26 1lzxB1 TYR 366 H -0.16 0.79 -0.03 -0.55 8.29 8.34 1lzxB1 TYR 366 HA -0.60 0.00 0.33 -0.75 4.56 3.54 1lzxB1 TYR 366 HB2 -0.88 0.21 0.11 -0.04 3.06 2.45 1lzxB1 TYR 366 HB3 -0.56 -0.10 -0.29 -0.04 2.98 2.00 1lzxB1 TYR 366 HD2 -0.15 0.15 0.01 -0.04 7.15 7.12 1lzxB1 TYR 366 HE2 0.06 -0.05 -0.11 -0.04 6.85 6.72 1lzxB1 SER 367 H -0.11 0.60 -0.33 -0.55 8.46 8.07 1lzxB1 SER 367 HA 0.02 -0.14 0.54 -0.75 4.49 4.16 1lzxB1 SER 367 HB2 -0.03 -0.04 0.14 -0.04 3.95 3.98 1lzxB1 SER 367 HB3 -0.08 0.19 0.22 -0.04 3.93 4.21 1lzxB1 SER 368 H -0.27 0.55 -0.12 -0.55 8.46 8.08 1lzxB1 SER 368 HA -0.05 0.05 0.42 -0.75 4.49 4.16 1lzxB1 SER 368 HB2 0.14 -0.05 0.09 -0.04 3.95 4.09 1lzxB1 SER 368 HB3 -0.07 0.10 0.15 -0.04 3.93 4.08 1lzxB1 ILE 369 H -0.44 0.31 -0.29 -0.55 8.25 7.28 1lzxB1 ILE 369 HA -0.16 0.17 0.71 -0.75 4.18 4.14 1lzxB1 ILE 369 HB -0.25 -0.04 0.12 -0.04 1.89 1.68 1lzxB1 ILE 369 HG12 -0.78 0.12 0.06 -0.04 1.49 0.84 1lzxB1 ILE 369 HG13 -0.31 -0.01 -0.27 -0.04 1.21 0.58 1lzxB1 ILE 369 HG23 -0.55 0.02 -0.05 -0.04 0.93 0.31 1lzxB1 ILE 369 HD13 -0.72 -0.05 -0.07 -0.04 0.88 0.01 1lzxB1 LYS 370 H -0.11 0.44 -0.61 -0.55 8.42 7.59 1lzxB1 LYS 370 HA -0.03 0.03 0.38 -0.75 4.32 3.96 1lzxB1 LYS 370 HB2 -0.04 0.11 -0.09 -0.04 1.87 1.81 1lzxB1 LYS 370 HB3 -0.02 -0.08 0.23 -0.04 1.79 1.88 1lzxB1 LYS 370 HG2 -0.03 0.02 0.07 -0.04 1.46 1.48 1lzxB1 LYS 370 HG3 -0.04 0.11 -0.12 -0.04 1.46 1.37 1lzxB1 LYS 370 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.59 1lzxB1 LYS 370 HD3 -0.01 -0.06 0.03 -0.04 1.68 1.60 1lzxB1 LYS 370 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.90 1lzxB1 LYS 370 HE3 -0.01 -0.00 0.03 -0.04 2.99 2.96 1lzxB1 ARG 371 H -0.03 0.69 0.02 -0.55 8.46 8.58 1lzxB1 ARG 371 HA 0.04 0.18 0.75 -0.75 4.34 4.56 1lzxB1 ARG 371 HB2 0.05 0.02 -0.02 -0.04 1.90 1.91 1lzxB1 ARG 371 HB3 0.16 -0.24 0.16 -0.04 1.80 1.85 1lzxB1 ARG 371 HG2 -0.06 0.37 -0.41 -0.04 1.67 1.53 1lzxB1 ARG 371 HG3 -0.02 -0.11 -0.05 -0.04 1.67 1.46 1lzxB1 ARG 371 HD2 0.04 -0.22 0.08 -0.04 3.22 3.08 1lzxB1 ARG 371 HD3 0.01 0.27 0.18 -0.04 3.22 3.64 1lzxB1 PHE 372 H 0.15 0.18 -0.03 -0.55 8.34 8.09 1lzxB1 PHE 372 HA -0.05 -0.00 0.37 -0.75 4.62 4.17 1lzxB1 PHE 372 HB2 -0.06 0.04 0.02 -0.04 3.15 3.11 1lzxB1 PHE 372 HB3 -0.01 0.03 0.06 -0.04 3.06 3.11 1lzxB1 PHE 372 HD2 -0.02 0.05 -0.10 -0.04 7.28 7.16 1lzxB1 PHE 372 HE2 0.04 0.00 -0.02 -0.04 7.38 7.36 1lzxB1 PHE 372 HZ 0.03 0.01 -0.02 -0.04 7.32 7.30 1lzxB1 GLY 373 H 0.02 0.12 0.15 -0.55 8.43 8.18 1lzxB1 GLY 373 HA2 -0.32 0.00 0.35 -0.51 4.01 3.53 1lzxB1 GLY 373 HA3 -0.07 0.14 0.47 -0.51 4.01 4.05 1lzxB1 SER 374 H 0.01 0.39 -0.67 -0.55 8.46 7.64 1lzxB1 SER 374 HA -0.01 0.12 0.34 -0.75 4.49 4.19 1lzxB1 SER 374 HB2 0.02 -0.12 0.17 -0.04 3.95 3.99 1lzxB1 SER 374 HB3 0.04 0.16 0.07 -0.04 3.93 4.16 1lzxB1 LYS 375 H -0.02 0.20 0.20 -0.55 8.42 8.24 1lzxB1 LYS 375 HA -0.07 0.15 0.49 -0.75 4.32 4.13 1lzxB1 LYS 375 HB2 -0.03 0.07 0.16 -0.04 1.87 2.03 1lzxB1 LYS 375 HB3 -0.01 -0.01 0.12 -0.04 1.79 1.84 1lzxB1 LYS 375 HG2 -0.03 -0.05 -0.07 -0.04 1.46 1.27 1lzxB1 LYS 375 HG3 -0.04 0.04 0.07 -0.04 1.46 1.48 1lzxB1 LYS 375 HD2 -0.02 0.03 0.02 -0.04 1.69 1.69 1lzxB1 LYS 375 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.61 1lzxB1 LYS 375 HE2 -0.02 0.02 0.00 -0.04 2.99 2.95 1lzxB1 LYS 375 HE3 -0.01 0.02 -0.00 -0.04 2.99 2.96 1lzxB1 ALA 376 H 0.00 0.12 -0.07 -0.55 8.40 7.90 1lzxB1 ALA 376 HA 0.01 0.08 0.39 -0.75 4.34 4.08 1lzxB1 ALA 376 HB3 0.14 0.04 0.05 -0.04 1.41 1.59 1lzxB1 HIS 377 H -0.10 0.09 -0.45 -0.55 8.41 7.40 1lzxB1 HIS 377 HA -1.70 0.05 0.42 -0.75 4.63 2.65 1lzxB1 HIS 377 HB2 -0.53 0.17 0.10 -0.04 3.26 2.96 1lzxB1 HIS 377 HB3 -0.38 0.17 0.03 -0.04 3.20 2.97 1lzxB1 HIS 377 HD2 -0.77 -0.07 0.07 -0.04 6.97 6.15 1lzxB1 HIS 377 HE1 -0.66 0.07 0.01 -0.04 7.75 7.12 1lzxB1 MET 378 H -0.24 0.53 -0.16 -0.55 8.47 8.05 1lzxB1 MET 378 HA -0.38 0.04 0.45 -0.75 4.52 3.87 1lzxB1 MET 378 HB2 -0.16 0.05 0.14 -0.04 2.15 2.15 1lzxB1 MET 378 HB3 -0.17 -0.04 0.03 -0.04 2.03 1.82 1lzxB1 MET 378 HG2 -0.30 0.17 -0.04 -0.04 2.63 2.42 1lzxB1 MET 378 HG3 -0.18 0.02 -0.00 -0.04 2.56 2.36 1lzxB1 MET 378 HE3 -0.86 -0.03 -0.10 -0.04 2.10 1.07 1lzxB1 ASP 379 H -0.11 0.63 -0.14 -0.55 8.40 8.23 1lzxB1 ASP 379 HA -0.06 0.04 0.44 -0.75 4.63 4.30 1lzxB1 ASP 379 HB2 -0.03 0.06 0.13 -0.04 2.71 2.84 1lzxB1 ASP 379 HB3 -0.01 -0.04 -0.00 -0.04 2.70 2.61 1lzxB1 ARG 380 H -0.08 0.49 -0.20 -0.55 8.46 8.11 1lzxB1 ARG 380 HA 0.03 0.01 0.44 -0.75 4.34 4.06 1lzxB1 ARG 380 HB2 0.11 0.06 0.15 -0.04 1.90 2.18 1lzxB1 ARG 380 HB3 -0.06 0.13 0.15 -0.04 1.80 1.97 1lzxB1 ARG 380 HG2 0.32 -0.02 0.00 -0.04 1.67 1.93 1lzxB1 ARG 380 HG3 0.12 0.00 -0.15 -0.04 1.67 1.60 1lzxB1 ARG 380 HD2 0.08 -0.04 0.11 -0.04 3.22 3.33 1lzxB1 ARG 380 HD3 0.13 -0.00 0.04 -0.04 3.22 3.34 1lzxB1 LEU 381 H -0.10 0.46 -0.21 -0.55 8.37 7.97 1lzxB1 LEU 381 HA 0.02 0.02 0.40 -0.75 4.35 4.04 1lzxB1 LEU 381 HB2 -0.13 0.13 0.17 -0.04 1.64 1.77 1lzxB1 LEU 381 HB3 0.08 -0.03 -0.03 -0.04 1.64 1.62 1lzxB1 LEU 381 HG -0.15 0.10 0.03 -0.04 1.64 1.59 1lzxB1 LEU 381 HD13 -0.22 -0.01 -0.02 -0.04 0.93 0.64 1lzxB1 LEU 381 HD23 -0.08 -0.01 0.00 -0.04 0.89 0.76 1lzxB1 GLU 382 H -0.04 0.52 -0.15 -0.55 8.60 8.38 1lzxB1 GLU 382 HA -0.03 0.01 0.45 -0.75 4.29 3.96 1lzxB1 GLU 382 HB2 -0.05 0.02 0.13 -0.04 2.09 2.14 1lzxB1 GLU 382 HB3 -0.04 0.11 0.18 -0.04 1.99 2.20 1lzxB1 GLU 382 HG2 -0.03 -0.01 -0.19 -0.04 2.34 2.07 1lzxB1 GLU 382 HG3 -0.05 -0.04 0.05 -0.04 2.34 2.26 1lzxB1 GLU 383 H -0.00 0.66 -0.13 -0.55 8.60 8.59 1lzxB1 GLU 383 HA 0.01 -0.00 0.41 -0.75 4.29 3.95 1lzxB1 GLU 383 HB2 0.02 0.08 0.12 -0.04 2.09 2.27 1lzxB1 GLU 383 HB3 0.03 0.10 0.19 -0.04 1.99 2.27 1lzxB1 GLU 383 HG2 0.04 -0.02 -0.13 -0.04 2.34 2.20 1lzxB1 GLU 383 HG3 0.03 -0.03 0.04 -0.04 2.34 2.34 1lzxB1 VAL 384 H 0.03 0.66 -0.09 -0.55 8.24 8.29 1lzxB1 VAL 384 HA 0.00 0.00 0.44 -0.75 4.13 3.82 1lzxB1 VAL 384 HB -0.01 0.09 0.14 -0.04 2.12 2.31 1lzxB1 VAL 384 HG13 -0.57 -0.02 -0.18 -0.04 0.97 0.16 1lzxB1 VAL 384 HG23 -0.06 0.02 0.01 -0.04 0.95 0.89 1lzxB1 ASN 385 H 0.14 0.65 -0.09 -0.55 8.53 8.68 1lzxB1 ASN 385 HA -0.07 -0.02 0.41 -0.75 4.76 4.33 1lzxB1 ASN 385 HB2 -0.49 0.05 0.14 -0.04 2.88 2.54 1lzxB1 ASN 385 HB3 -0.17 0.09 0.20 -0.04 2.79 2.86 1lzxB1 ASN 385 HD21 -0.28 -0.03 -0.04 -0.04 7.03 6.64 1lzxB1 ASN 385 HD22 -0.22 0.03 -0.03 -0.04 7.74 7.48 1lzxB1 LYS 386 H -0.04 0.64 -0.12 -0.55 8.42 8.34 1lzxB1 LYS 386 HA -0.05 -0.02 0.38 -0.75 4.32 3.88 1lzxB1 LYS 386 HB2 -0.01 0.15 0.19 -0.04 1.87 2.16 1lzxB1 LYS 386 HB3 -0.01 -0.05 -0.01 -0.04 1.79 1.68 1lzxB1 LYS 386 HG2 -0.04 -0.05 0.05 -0.04 1.46 1.37 1lzxB1 LYS 386 HG3 -0.05 0.09 0.08 -0.04 1.46 1.55 1lzxB1 LYS 386 HD2 -0.02 0.00 -0.03 -0.04 1.69 1.60 1lzxB1 LYS 386 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.60 1lzxB1 LYS 386 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 1lzxB1 LYS 386 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.89 1lzxB1 GLU 387 H 0.02 0.53 -0.16 -0.55 8.60 8.45 1lzxB1 GLU 387 HA 0.04 -0.03 0.40 -0.75 4.29 3.94 1lzxB1 GLU 387 HB2 0.06 0.15 0.20 -0.04 2.09 2.46 1lzxB1 GLU 387 HB3 0.11 0.09 0.18 -0.04 1.99 2.33 1lzxB1 GLU 387 HG2 0.09 0.05 0.00 -0.04 2.34 2.44 1lzxB1 GLU 387 HG3 0.06 -0.03 0.06 -0.04 2.34 2.39 1lzxB1 ILE 388 H 0.05 0.63 -0.11 -0.55 8.25 8.27 1lzxB1 ILE 388 HA 0.10 0.21 0.32 -0.75 4.18 4.06 1lzxB1 ILE 388 HB 0.06 0.06 0.18 -0.04 1.89 2.15 1lzxB1 ILE 388 HG12 0.23 -0.03 -0.27 -0.04 1.49 1.38 1lzxB1 ILE 388 HG13 0.07 0.25 -0.01 -0.04 1.21 1.47 1lzxB1 ILE 388 HG23 0.09 0.00 -0.18 -0.04 0.93 0.81 1lzxB1 ILE 388 HD13 0.14 -0.05 -0.17 -0.04 0.88 0.76 1lzxB1 GLU 389 H -0.02 0.62 0.04 -0.55 8.60 8.70 1lzxB1 GLU 389 HA -0.01 -0.04 0.40 -0.75 4.29 3.89 1lzxB1 GLU 389 HB2 -0.07 -0.04 0.13 -0.04 2.09 2.08 1lzxB1 GLU 389 HB3 -0.04 0.10 0.16 -0.04 1.99 2.16 1lzxB1 GLU 389 HG2 -0.03 0.02 -0.14 -0.04 2.34 2.15 1lzxB1 GLU 389 HG3 -0.03 -0.04 0.07 -0.04 2.34 2.30 1lzxB1 SER 390 H 0.00 0.52 -0.32 -0.55 8.46 8.12 1lzxB1 SER 390 HA -0.00 0.02 0.55 -0.75 4.49 4.30 1lzxB1 SER 390 HB2 -0.00 -0.08 0.08 -0.04 3.95 3.91 1lzxB1 SER 390 HB3 0.01 0.09 0.17 -0.04 3.93 4.16 1lzxB1 THR 391 H 0.03 0.66 0.08 -0.55 8.28 8.50 1lzxB1 THR 391 HA 0.01 0.19 1.01 -0.75 4.39 4.85 1lzxB1 THR 391 HB 0.02 -0.07 0.13 -0.04 4.32 4.36 1lzxB1 THR 391 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.06 1lzxB1 SER 392 H 0.03 0.88 0.18 -0.55 8.46 9.00 1lzxB1 SER 392 HA 0.03 -0.01 0.41 -0.75 4.49 4.17 1lzxB1 SER 392 HB2 0.01 0.30 0.32 -0.04 3.95 4.54 1lzxB1 SER 392 HB3 0.02 -0.08 0.13 -0.04 3.93 3.95 1lzxB1 THR 393 H 0.05 0.11 -0.68 -0.55 8.28 7.21 1lzxB1 THR 393 HA 0.10 0.18 0.75 -0.75 4.39 4.66 1lzxB1 THR 393 HB -0.01 0.08 -0.12 -0.04 4.32 4.23 1lzxB1 THR 393 HG23 -0.01 0.02 -0.17 -0.04 1.22 1.02 1lzxB1 TYR 394 H -0.09 0.33 0.14 -0.55 8.29 8.12 1lzxB1 TYR 394 HA 0.02 0.06 0.33 -0.75 4.56 4.22 1lzxB1 TYR 394 HB2 0.05 -0.04 0.09 -0.04 3.06 3.11 1lzxB1 TYR 394 HB3 0.05 0.20 -0.25 -0.04 2.98 2.93 1lzxB1 TYR 394 HD2 0.04 0.04 -0.32 -0.04 7.15 6.87 1lzxB1 TYR 394 HE2 0.03 0.03 -0.12 -0.04 6.85 6.76 1lzxB1 GLN 395 H 0.16 0.17 0.10 -0.55 8.47 8.36 1lzxB1 GLN 395 HA -0.08 0.17 0.94 -0.75 4.36 4.63 1lzxB1 GLN 395 HB2 0.06 -0.03 0.05 -0.04 2.15 2.19 1lzxB1 GLN 395 HB3 0.03 0.08 -0.04 -0.04 2.02 2.05 1lzxB1 GLN 395 HG2 0.02 -0.04 -0.14 -0.04 2.40 2.20 1lzxB1 GLN 395 HG3 0.02 0.02 -0.04 -0.04 2.39 2.34 1lzxB1 GLN 395 HE21 -0.05 0.03 -0.08 -0.04 6.97 6.83 1lzxB1 GLN 395 HE22 -0.02 -0.04 -0.21 -0.04 7.69 7.37 1lzxB1 LEU 396 H -0.01 0.15 0.10 -0.55 8.37 8.07 1lzxB1 LEU 396 HA 0.16 0.08 0.53 -0.75 4.35 4.36 1lzxB1 LEU 396 HB2 0.04 -0.00 0.02 -0.04 1.64 1.66 1lzxB1 LEU 396 HB3 0.05 -0.01 -0.07 -0.04 1.64 1.57 1lzxB1 LEU 396 HG -0.10 0.03 -0.08 -0.04 1.64 1.45 1lzxB1 LEU 396 HD13 0.03 0.02 -0.12 -0.04 0.93 0.82 1lzxB1 LEU 396 HD23 0.22 0.01 -0.13 -0.04 0.89 0.95 1lzxB1 LYS 397 H 0.05 0.09 0.15 -0.55 8.42 8.16 1lzxB1 LYS 397 HA 0.03 0.18 0.53 -0.75 4.32 4.30 1lzxB1 LYS 397 HB2 -0.05 -0.21 0.05 -0.04 1.87 1.62 1lzxB1 LYS 397 HB3 0.01 0.02 0.13 -0.04 1.79 1.92 1lzxB1 LYS 397 HG2 0.07 0.05 0.09 -0.04 1.46 1.63 1lzxB1 LYS 397 HG3 0.03 0.02 0.06 -0.04 1.46 1.53 1lzxB1 LYS 397 HD2 0.08 0.05 0.02 -0.04 1.69 1.79 1lzxB1 LYS 397 HD3 0.05 -0.01 0.03 -0.04 1.68 1.72 1lzxB1 LYS 397 HE2 0.04 -0.06 0.05 -0.04 2.99 2.98 1lzxB1 LYS 397 HE3 0.06 0.07 -0.07 -0.04 2.99 3.01 1lzxB1 ASP 398 H -0.00 0.21 0.15 -0.55 8.40 8.21 1lzxB1 ASP 398 HA -0.03 0.12 0.34 -0.75 4.63 4.30 1lzxB1 ASP 398 HB2 -0.00 -0.04 0.14 -0.04 2.71 2.77 1lzxB1 ASP 398 HB3 -0.02 0.08 0.02 -0.04 2.70 2.74 1lzxB1 THR 399 H -0.02 0.08 -0.17 -0.55 8.28 7.62 1lzxB1 THR 399 HA 0.01 0.14 0.42 -0.75 4.39 4.21 1lzxB1 THR 399 HB 0.08 0.10 -0.01 -0.04 4.32 4.44 1lzxB1 THR 399 HG23 0.03 0.02 0.03 -0.04 1.22 1.25 1lzxB1 GLU 400 H -0.16 0.07 -0.27 -0.55 8.60 7.69 1lzxB1 GLU 400 HA -0.45 0.11 0.39 -0.75 4.29 3.58 1lzxB1 GLU 400 HB2 0.01 0.03 0.05 -0.04 2.09 2.14 1lzxB1 GLU 400 HB3 0.14 0.05 0.01 -0.04 1.99 2.15 1lzxB1 GLU 400 HG2 -1.05 0.07 -0.01 -0.04 2.34 1.31 1lzxB1 GLU 400 HG3 -0.35 -0.12 0.04 -0.04 2.34 1.87 1lzxB1 LEU 401 H -0.02 0.41 -0.35 -0.55 8.37 7.87 1lzxB1 LEU 401 HA -0.05 0.04 0.36 -0.75 4.35 3.94 1lzxB1 LEU 401 HB2 -0.07 0.02 -0.04 -0.04 1.64 1.51 1lzxB1 LEU 401 HB3 -0.07 0.17 0.10 -0.04 1.64 1.80 1lzxB1 LEU 401 HG -0.20 0.01 -0.23 -0.04 1.64 1.17 1lzxB1 LEU 401 HD13 -0.43 -0.00 -0.06 -0.04 0.93 0.40 1lzxB1 LEU 401 HD23 -0.17 0.00 -0.08 -0.04 0.89 0.60 1lzxB1 ILE 402 H 0.01 0.47 -0.08 -0.55 8.25 8.09 1lzxB1 ILE 402 HA -0.01 0.03 0.37 -0.75 4.18 3.82 1lzxB1 ILE 402 HB 0.06 0.05 0.17 -0.04 1.89 2.13 1lzxB1 ILE 402 HG12 -0.06 -0.00 0.06 -0.04 1.49 1.45 1lzxB1 ILE 402 HG13 -0.04 0.04 0.09 -0.04 1.21 1.26 1lzxB1 ILE 402 HG23 0.03 0.01 -0.10 -0.04 0.93 0.84 1lzxB1 ILE 402 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.78 1lzxB1 TYR 403 H 0.22 0.52 -0.15 -0.55 8.29 8.33 1lzxB1 TYR 403 HA 0.26 0.06 0.37 -0.75 4.56 4.50 1lzxB1 TYR 403 HB2 0.24 0.01 0.08 -0.04 3.06 3.35 1lzxB1 TYR 403 HB3 0.10 0.00 0.13 -0.04 2.98 3.17 1lzxB1 TYR 403 HD2 0.23 0.02 -0.11 -0.04 7.15 7.25 1lzxB1 TYR 403 HE2 -0.11 0.02 -0.05 -0.04 6.85 6.67 1lzxB1 GLY 404 H 0.29 0.47 -0.37 -0.55 8.43 8.27 1lzxB1 GLY 404 HA2 0.24 0.00 0.42 -0.51 4.01 4.16 1lzxB1 GLY 404 HA3 0.09 0.02 0.29 -0.51 4.01 3.90 1lzxB1 ALA 405 H -0.01 0.71 -0.05 -0.55 8.40 8.49 1lzxB1 ALA 405 HA -0.12 -0.02 0.29 -0.75 4.34 3.73 1lzxB1 ALA 405 HB3 -0.03 0.01 -0.00 -0.04 1.41 1.35 1lzxB1 LYS 406 H 0.09 0.57 -0.22 -0.55 8.42 8.31 1lzxB1 LYS 406 HA 0.31 0.06 0.33 -0.75 4.32 4.26 1lzxB1 LYS 406 HB2 0.17 0.06 0.10 -0.04 1.87 2.15 1lzxB1 LYS 406 HB3 0.38 -0.02 -0.06 -0.04 1.79 2.04 1lzxB1 LYS 406 HG2 0.14 0.06 0.00 -0.04 1.46 1.61 1lzxB1 LYS 406 HG3 0.10 0.07 0.05 -0.04 1.46 1.63 1lzxB1 LYS 406 HD2 0.08 -0.08 -0.05 -0.04 1.69 1.59 1lzxB1 LYS 406 HD3 -0.11 -0.01 0.04 -0.04 1.68 1.56 1lzxB1 LYS 406 HE2 -0.03 -0.04 0.04 -0.04 2.99 2.91 1lzxB1 LYS 406 HE3 0.00 -0.07 0.03 -0.04 2.99 2.91 1lzxB1 HIS 407 H 0.04 0.46 -0.28 -0.55 8.41 8.09 1lzxB1 HIS 407 HA -0.29 0.01 0.49 -0.75 4.63 4.08 1lzxB1 HIS 407 HB2 -0.25 0.10 0.16 -0.04 3.26 3.22 1lzxB1 HIS 407 HB3 -0.21 0.01 -0.03 -0.04 3.20 2.94 1lzxB1 HIS 407 HD2 -0.31 0.01 -0.03 -0.04 6.97 6.60 1lzxB1 HIS 407 HE1 0.07 -0.04 -0.02 -0.04 7.75 7.71 1lzxB1 ALA 408 H -0.06 0.50 -0.22 -0.55 8.40 8.08 1lzxB1 ALA 408 HA -0.17 0.23 -0.01 -0.75 4.34 3.63 1lzxB1 ALA 408 HB3 -0.70 0.00 -0.13 -0.04 1.41 0.55 1lzxB1 TRP 409 H 0.26 0.44 -0.37 -0.55 7.97 7.75 1lzxB1 TRP 409 HA 0.08 -0.05 0.35 -0.75 4.62 4.24 1lzxB1 TRP 409 HB2 0.07 -0.00 0.02 -0.04 3.23 3.28 1lzxB1 TRP 409 HB3 0.08 0.26 0.12 -0.04 3.23 3.65 1lzxB1 TRP 409 HD1 -0.06 -0.02 0.04 -0.04 7.22 7.14 1lzxB1 TRP 409 HE1 -0.09 -0.16 -0.25 -0.04 10.20 9.66 1lzxB1 TRP 409 HE3 0.02 0.08 -0.10 -0.04 7.59 7.55 1lzxB1 TRP 409 HZ2 -0.23 -0.05 -0.18 -0.04 7.44 6.95 1lzxB1 TRP 409 HZ3 -0.07 0.18 -0.28 -0.04 7.13 6.92 1lzxB1 TRP 409 HH2 -0.21 0.01 -0.12 -0.04 7.19 6.83 1lzxB1 ARG 410 H -0.06 0.52 -0.06 -0.55 8.46 8.30 1lzxB1 ARG 410 HA -0.46 -0.05 0.36 -0.75 4.34 3.44 1lzxB1 ARG 410 HB2 -1.22 0.03 0.08 -0.04 1.90 0.74 1lzxB1 ARG 410 HB3 -0.67 0.08 0.11 -0.04 1.80 1.28 1lzxB1 ARG 410 HG2 -0.68 0.02 -0.11 -0.04 1.67 0.87 1lzxB1 ARG 410 HG3 -1.57 -0.06 0.03 -0.04 1.67 0.03 1lzxB1 ARG 410 HD2 -3.07 -0.03 -0.06 -0.04 3.22 0.02 1lzxB1 ARG 410 HD3 -0.90 0.01 -0.06 -0.04 3.22 2.24 1lzxB1 ASN 411 H -0.10 0.63 -0.41 -0.55 8.53 8.11 1lzxB1 ASN 411 HA -0.12 0.08 0.67 -0.75 4.76 4.64 1lzxB1 ASN 411 HB2 -0.06 0.17 0.10 -0.04 2.88 3.05 1lzxB1 ASN 411 HB3 -0.06 -0.19 0.16 -0.04 2.79 2.66 1lzxB1 ASN 411 HD21 -0.01 -0.09 -0.33 -0.04 7.03 6.56 1lzxB1 ASN 411 HD22 -0.04 0.42 -0.37 -0.04 7.74 7.71 1lzxB1 ALA 412 H 0.07 0.47 -0.29 -0.55 8.40 8.10 1lzxB1 ALA 412 HA -0.01 -0.03 0.58 -0.75 4.34 4.12 1lzxB1 ALA 412 HB3 0.13 0.00 0.17 -0.04 1.41 1.67 1lzxB1 SER 413 H -0.07 0.24 0.30 -0.55 8.46 8.39 1lzxB1 SER 413 HA 0.00 0.37 0.33 -0.75 4.49 4.44 1lzxB1 SER 413 HB2 -0.06 -0.25 -0.23 -0.04 3.95 3.38 1lzxB1 SER 413 HB3 -0.12 0.18 -0.02 -0.04 3.93 3.94 1lzxB1 ARG 414 H -0.10 0.09 -0.35 -0.55 8.46 7.54 1lzxB1 ARG 414 HA 0.02 0.12 0.77 -0.75 4.34 4.49 1lzxB1 ARG 414 HB2 -0.35 0.02 -0.00 -0.04 1.90 1.52 1lzxB1 ARG 414 HB3 -0.23 0.00 0.09 -0.04 1.80 1.62 1lzxB1 ARG 414 HG2 -0.47 -0.04 -0.02 -0.04 1.67 1.10 1lzxB1 ARG 414 HG3 -0.37 -0.05 -0.10 -0.04 1.67 1.12 1lzxB1 ARG 414 HD2 -0.83 0.02 -0.01 -0.04 3.22 2.36 1lzxB1 ARG 414 HD3 -2.79 -0.01 -0.01 -0.04 3.22 0.37 1lzxB1 CYS 415 H 0.03 0.57 -0.24 -0.55 8.50 8.32 1lzxB1 CYS 415 HA 0.08 0.08 0.80 -0.75 4.58 4.79 1lzxB1 CYS 415 HB2 0.09 -0.01 0.01 -0.04 2.97 3.02 1lzxB1 CYS 415 HB3 0.19 0.27 0.16 -0.04 2.97 3.54 1lzxB1 VAL 416 H -0.00 0.18 0.14 -0.55 8.24 8.00 1lzxB1 VAL 416 HA -0.51 0.22 0.61 -0.75 4.13 3.68 1lzxB1 VAL 416 HB -0.20 0.14 0.06 -0.04 2.12 2.08 1lzxB1 VAL 416 HG13 -0.01 -0.03 -0.10 -0.04 0.97 0.79 1lzxB1 VAL 416 HG23 -0.24 0.01 0.04 -0.04 0.95 0.72 1lzxB1 GLY 417 H 0.11 0.10 -0.22 -0.55 8.43 7.87 1lzxB1 GLY 417 HA2 0.10 0.18 0.73 -0.51 4.01 4.51 1lzxB1 GLY 417 HA3 0.07 0.04 0.30 -0.51 4.01 3.92 1lzxB1 ARG 418 H 0.14 0.29 -0.47 -0.55 8.46 7.87 1lzxB1 ARG 418 HA -0.49 0.07 0.22 -0.75 4.34 3.39 1lzxB1 ARG 418 HB2 0.09 0.05 -0.00 -0.04 1.90 2.00 1lzxB1 ARG 418 HB3 -0.27 0.03 0.05 -0.04 1.80 1.57 1lzxB1 ARG 418 HG2 -0.17 0.00 -0.07 -0.04 1.67 1.39 1lzxB1 ARG 418 HG3 0.17 -0.15 -0.04 -0.04 1.67 1.61 1lzxB1 ARG 418 HD2 -0.00 0.13 0.04 -0.04 3.22 3.35 1lzxB1 ARG 418 HD3 0.09 0.07 0.02 -0.04 3.22 3.36 1lzxB1 ILE 419 H -0.18 0.13 -0.54 -0.55 8.25 7.10 1lzxB1 ILE 419 HA -0.49 0.09 0.38 -0.75 4.18 3.41 1lzxB1 ILE 419 HB -0.01 -0.00 -0.04 -0.04 1.89 1.80 1lzxB1 ILE 419 HG12 -0.00 0.02 0.02 -0.04 1.49 1.48 1lzxB1 ILE 419 HG13 0.08 0.00 0.08 -0.04 1.21 1.33 1lzxB1 ILE 419 HG23 0.03 0.00 -0.18 -0.04 0.93 0.75 1lzxB1 ILE 419 HD13 0.07 0.02 -0.00 -0.04 0.88 0.92 1lzxB1 GLN 420 H -0.28 0.39 -0.37 -0.55 8.47 7.67 1lzxB1 GLN 420 HA -0.20 0.12 0.62 -0.75 4.36 4.14 1lzxB1 GLN 420 HB2 -0.04 0.13 0.04 -0.04 2.15 2.24 1lzxB1 GLN 420 HB3 0.06 0.04 0.12 -0.04 2.02 2.21 1lzxB1 GLN 420 HG2 0.08 -0.10 -0.07 -0.04 2.40 2.27 1lzxB1 GLN 420 HG3 0.00 -0.02 0.01 -0.04 2.39 2.34 1lzxB1 GLN 420 HE21 0.25 0.01 -0.03 -0.04 6.97 7.16 1lzxB1 GLN 420 HE22 0.27 -0.05 -0.07 -0.04 7.69 7.80 1lzxB1 TRP 421 H -0.61 0.56 -0.38 -0.55 7.97 6.99 1lzxB1 TRP 421 HA -2.54 0.02 0.14 -0.75 4.62 1.49 1lzxB1 TRP 421 HB2 -0.77 0.02 -0.01 -0.04 3.23 2.44 1lzxB1 TRP 421 HB3 -1.02 0.12 0.09 -0.04 3.23 2.37 1lzxB1 TRP 421 HD1 -0.34 0.23 0.05 -0.04 7.22 7.12 1lzxB1 TRP 421 HE1 -0.06 -0.02 -0.03 -0.04 10.20 10.05 1lzxB1 TRP 421 HE3 -0.35 0.08 -0.32 -0.04 7.59 6.96 1lzxB1 TRP 421 HZ2 -0.10 -0.01 -0.04 -0.04 7.44 7.25 1lzxB1 TRP 421 HZ3 -0.52 -0.04 -0.17 -0.04 7.13 6.36 1lzxB1 TRP 421 HH2 -0.15 -0.01 -0.06 -0.04 7.19 6.93 1lzxB1 SER 422 H -1.47 0.12 -0.30 -0.55 8.46 6.26 1lzxB1 SER 422 HA -1.03 0.10 0.47 -0.75 4.49 3.28 1lzxB1 SER 422 HB2 -0.78 -0.02 0.08 -0.04 3.95 3.18 1lzxB1 SER 422 HB3 -1.97 -0.00 0.03 -0.04 3.93 1.95 1lzxB1 LYS 423 H -0.33 0.51 -0.31 -0.55 8.42 7.73 1lzxB1 LYS 423 HA -0.08 0.09 0.80 -0.75 4.32 4.38 1lzxB1 LYS 423 HB2 0.02 0.08 0.23 -0.04 1.87 2.16 1lzxB1 LYS 423 HB3 0.06 -0.03 0.08 -0.04 1.79 1.86 1lzxB1 LYS 423 HG2 -0.01 -0.02 0.01 -0.04 1.46 1.40 1lzxB1 LYS 423 HG3 -0.08 0.01 -0.06 -0.04 1.46 1.29 1lzxB1 LYS 423 HD2 -0.27 -0.07 -0.23 -0.04 1.69 1.07 1lzxB1 LYS 423 HD3 -0.21 0.07 0.00 -0.04 1.68 1.50 1lzxB1 LYS 423 HE2 -0.09 -0.02 -0.03 -0.04 2.99 2.81 1lzxB1 LYS 423 HE3 -0.16 0.02 -0.02 -0.04 2.99 2.79 1lzxB1 LEU 424 H 0.01 0.30 -0.05 -0.55 8.37 8.08 1lzxB1 LEU 424 HA 0.15 0.19 0.73 -0.75 4.35 4.66 1lzxB1 LEU 424 HB2 0.52 0.12 -0.31 -0.04 1.64 1.93 1lzxB1 LEU 424 HB3 0.15 -0.02 -0.09 -0.04 1.64 1.65 1lzxB1 LEU 424 HG 0.00 -0.06 -0.56 -0.04 1.64 0.99 1lzxB1 LEU 424 HD13 -0.09 0.00 -0.32 -0.04 0.93 0.48 1lzxB1 LEU 424 HD23 0.21 -0.02 -0.27 -0.04 0.89 0.77 1lzxB1 GLN 425 H -0.02 0.63 0.14 -0.55 8.47 8.67 1lzxB1 GLN 425 HA -0.24 0.05 0.71 -0.75 4.36 4.13 1lzxB1 GLN 425 HB2 -0.08 0.02 0.06 -0.04 2.15 2.11 1lzxB1 GLN 425 HB3 -0.24 0.11 0.24 -0.04 2.02 2.09 1lzxB1 GLN 425 HG2 -1.57 0.01 -0.07 -0.04 2.40 0.73 1lzxB1 GLN 425 HG3 -1.70 -0.06 -0.32 -0.04 2.39 0.26 1lzxB1 GLN 425 HE21 -0.32 -0.04 -0.02 -0.04 6.97 6.56 1lzxB1 GLN 425 HE22 -0.94 -0.01 -0.15 -0.04 7.69 6.54 1lzxB1 VAL 426 H -0.28 0.18 0.16 -0.55 8.24 7.74 1lzxB1 VAL 426 HA -0.25 0.24 0.99 -0.75 4.13 4.36 1lzxB1 VAL 426 HB -0.14 -0.06 0.13 -0.04 2.12 2.01 1lzxB1 VAL 426 HG13 -0.13 -0.02 -0.27 -0.04 0.97 0.50 1lzxB1 VAL 426 HG23 -0.06 0.05 -0.15 -0.04 0.95 0.75 1lzxB1 PHE 427 H -0.15 0.92 0.38 -0.55 8.34 8.94 1lzxB1 PHE 427 HA -0.13 0.09 0.83 -0.75 4.62 4.65 1lzxB1 PHE 427 HB2 -0.16 0.06 0.19 -0.04 3.15 3.19 1lzxB1 PHE 427 HB3 -0.09 -0.05 -0.05 -0.04 3.06 2.83 1lzxB1 PHE 427 HD2 -0.23 -0.01 -0.10 -0.04 7.28 6.91 1lzxB1 PHE 427 HE2 -0.35 0.02 -0.07 -0.04 7.38 6.93 1lzxB1 PHE 427 HZ -1.15 0.03 -0.08 -0.04 7.32 6.08 1lzxB1 ASP 428 H 0.02 0.21 0.13 -0.55 8.40 8.21 1lzxB1 ASP 428 HA -0.18 0.14 0.68 -0.75 4.63 4.52 1lzxB1 ASP 428 HB2 -0.07 0.06 0.07 -0.04 2.71 2.73 1lzxB1 ASP 428 HB3 -0.02 0.01 0.24 -0.04 2.70 2.88 1lzxB1 ALA 429 H -0.44 0.51 0.23 -0.55 8.40 8.16 1lzxB1 ALA 429 HA -0.81 0.12 0.79 -0.75 4.34 3.69 1lzxB1 ALA 429 HB3 -1.29 0.01 -0.12 -0.04 1.41 -0.04 1lzxB1 ARG 430 H -0.17 0.10 -0.33 -0.55 8.46 7.50 1lzxB1 ARG 430 HA -0.12 0.13 0.43 -0.75 4.34 4.02 1lzxB1 ARG 430 HB2 -0.05 -0.02 0.00 -0.04 1.90 1.79 1lzxB1 ARG 430 HB3 -0.02 0.01 0.07 -0.04 1.80 1.83 1lzxB1 ARG 430 HG2 0.05 0.02 -0.23 -0.04 1.67 1.48 1lzxB1 ARG 430 HG3 -0.12 0.07 -0.10 -0.04 1.67 1.48 1lzxB1 ARG 430 HD2 0.08 -0.02 -0.01 -0.04 3.22 3.22 1lzxB1 ARG 430 HD3 0.03 0.02 -0.07 -0.04 3.22 3.16 1lzxB1 ASP 431 H -0.01 0.08 -0.41 -0.55 8.40 7.50 1lzxB1 ASP 431 HA 0.04 0.19 0.68 -0.75 4.63 4.79 1lzxB1 ASP 431 HB2 0.08 0.00 0.10 -0.04 2.71 2.85 1lzxB1 ASP 431 HB3 0.05 -0.02 0.01 -0.04 2.70 2.70 1lzxB1 CYS 432 H 0.03 0.35 -0.32 -0.55 8.50 8.01 1lzxB1 CYS 432 HA 0.26 -0.05 0.42 -0.75 4.58 4.45 1lzxB1 CYS 432 HB2 0.23 0.05 0.11 -0.04 2.97 3.31 1lzxB1 CYS 432 HB3 0.17 0.08 0.08 -0.04 2.97 3.26 1lzxB1 THR 433 H 0.23 -0.11 0.24 -0.55 8.28 8.09 1lzxB1 THR 433 HA 0.42 0.29 0.96 -0.75 4.39 5.31 1lzxB1 THR 433 HB 0.15 0.02 0.10 -0.04 4.32 4.55 1lzxB1 THR 433 HG23 0.13 0.07 -0.18 -0.04 1.22 1.20 1lzxB1 THR 434 H 0.20 -0.03 0.22 -0.55 8.28 8.12 1lzxB1 THR 434 HA 0.06 0.38 0.97 -0.75 4.39 5.04 1lzxB1 THR 434 HB 0.14 -0.00 0.15 -0.04 4.32 4.57 1lzxB1 THR 434 HG23 0.09 0.06 -0.17 -0.04 1.22 1.15 1lzxB1 ALA 435 H 0.08 0.31 0.15 -0.55 8.40 8.39 1lzxB1 ALA 435 HA -0.02 0.09 0.28 -0.75 4.34 3.93 1lzxB1 ALA 435 HB3 0.17 0.06 0.07 -0.04 1.41 1.68 1lzxB1 HIS 436 H 0.30 0.12 -0.12 -0.55 8.41 8.17 1lzxB1 HIS 436 HA -0.32 0.15 0.42 -0.75 4.63 4.12 1lzxB1 HIS 436 HB2 0.09 -0.05 0.05 -0.04 3.26 3.31 1lzxB1 HIS 436 HB3 0.08 0.05 -0.04 -0.04 3.20 3.25 1lzxB1 HIS 436 HD2 0.17 -0.07 0.04 -0.04 6.97 7.07 1lzxB1 HIS 436 HE1 0.10 0.05 0.01 -0.04 7.75 7.87 1lzxB1 GLY 437 H 0.14 0.03 -0.39 -0.55 8.43 7.67 1lzxB1 GLY 437 HA2 0.09 0.09 0.42 -0.51 4.01 4.10 1lzxB1 GLY 437 HA3 0.17 -0.04 0.32 -0.51 4.01 3.95 1lzxB1 MET 438 H 0.04 0.45 -0.14 -0.55 8.47 8.27 1lzxB1 MET 438 HA 0.16 0.02 0.34 -0.75 4.52 4.29 1lzxB1 MET 438 HB2 -0.15 0.14 0.09 -0.04 2.15 2.18 1lzxB1 MET 438 HB3 -0.35 0.01 -0.07 -0.04 2.03 1.58 1lzxB1 MET 438 HG2 -0.79 0.01 -0.07 -0.04 2.63 1.74 1lzxB1 MET 438 HG3 -0.01 0.06 -0.11 -0.04 2.56 2.46 1lzxB1 MET 438 HE3 -0.39 0.03 -0.13 -0.04 2.10 1.56 1lzxB1 PHE 439 H -0.19 0.46 -0.26 -0.55 8.34 7.80 1lzxB1 PHE 439 HA -0.25 0.02 0.35 -0.75 4.62 3.99 1lzxB1 PHE 439 HB2 -1.50 0.03 0.06 -0.04 3.15 1.69 1lzxB1 PHE 439 HB3 -0.65 0.12 0.15 -0.04 3.06 2.64 1lzxB1 PHE 439 HD2 -0.15 -0.00 -0.06 -0.04 7.28 7.02 1lzxB1 PHE 439 HE2 0.03 -0.02 -0.18 -0.04 7.38 7.16 1lzxB1 PHE 439 HZ 0.04 0.16 0.06 -0.04 7.32 7.54 1lzxB1 ASN 440 H -0.04 0.47 -0.19 -0.55 8.53 8.22 1lzxB1 ASN 440 HA -0.33 0.03 0.42 -0.75 4.76 4.13 1lzxB1 ASN 440 HB2 -0.05 0.03 0.12 -0.04 2.88 2.94 1lzxB1 ASN 440 HB3 -0.14 0.09 0.13 -0.04 2.79 2.83 1lzxB1 ASN 440 HD21 -0.19 -0.01 -0.06 -0.04 7.03 6.73 1lzxB1 ASN 440 HD22 -0.30 0.01 -0.07 -0.04 7.74 7.34 1lzxB1 TYR 441 H 0.13 0.51 -0.12 -0.55 8.29 8.26 1lzxB1 TYR 441 HA -0.09 0.02 0.38 -0.75 4.56 4.11 1lzxB1 TYR 441 HB2 0.31 0.10 0.13 -0.04 3.06 3.55 1lzxB1 TYR 441 HB3 0.06 -0.01 -0.09 -0.04 2.98 2.90 1lzxB1 TYR 441 HD2 0.04 0.03 -0.08 -0.04 7.15 7.10 1lzxB1 TYR 441 HE2 0.02 -0.02 -0.10 -0.04 6.85 6.71 1lzxB1 ILE 442 H 0.09 0.56 -0.23 -0.55 8.25 8.12 1lzxB1 ILE 442 HA 0.05 0.02 0.38 -0.75 4.18 3.89 1lzxB1 ILE 442 HB -0.04 0.09 0.12 -0.04 1.89 2.02 1lzxB1 ILE 442 HG12 0.14 -0.02 -0.03 -0.04 1.49 1.54 1lzxB1 ILE 442 HG13 0.31 0.08 0.01 -0.04 1.21 1.57 1lzxB1 ILE 442 HG23 -0.06 -0.01 -0.13 -0.04 0.93 0.69 1lzxB1 ILE 442 HD13 0.04 -0.02 -0.11 -0.04 0.88 0.74 1lzxB1 CYS 443 H -0.31 0.58 -0.14 -0.55 8.50 8.09 1lzxB1 CYS 443 HA -0.18 0.02 0.42 -0.75 4.58 4.08 1lzxB1 CYS 443 HB2 -0.39 0.11 0.18 -0.04 2.97 2.83 1lzxB1 CYS 443 HB3 -0.24 -0.06 0.02 -0.04 2.97 2.65 1lzxB1 ASN 444 H -0.15 0.48 -0.27 -0.55 8.53 8.04 1lzxB1 ASN 444 HA -0.10 0.01 0.43 -0.75 4.76 4.35 1lzxB1 ASN 444 HB2 -0.22 0.13 0.13 -0.04 2.88 2.88 1lzxB1 ASN 444 HB3 -0.27 -0.05 0.01 -0.04 2.79 2.44 1lzxB1 ASN 444 HD21 -0.19 -0.07 -0.05 -0.04 7.03 6.68 1lzxB1 ASN 444 HD22 -0.28 -0.04 -0.07 -0.04 7.74 7.32 1lzxB1 HIS 445 H -0.01 0.40 -0.28 -0.55 8.41 7.97 1lzxB1 HIS 445 HA -0.13 0.02 0.40 -0.75 4.63 4.17 1lzxB1 HIS 445 HB2 -0.09 -0.00 0.02 -0.04 3.26 3.15 1lzxB1 HIS 445 HB3 -0.02 0.10 0.13 -0.04 3.20 3.36 1lzxB1 HIS 445 HD2 0.11 -0.04 -0.60 -0.04 6.97 6.39 1lzxB1 HIS 445 HE1 0.06 0.19 -0.22 -0.04 7.75 7.72 1lzxB1 VAL 446 H 0.05 0.55 -0.12 -0.55 8.24 8.17 1lzxB1 VAL 446 HA 0.15 0.01 0.29 -0.75 4.13 3.83 1lzxB1 VAL 446 HB -0.02 0.08 0.12 -0.04 2.12 2.26 1lzxB1 VAL 446 HG13 0.01 -0.02 -0.15 -0.04 0.97 0.78 1lzxB1 VAL 446 HG23 -0.06 0.02 -0.03 -0.04 0.95 0.84 1lzxB1 LYS 447 H 0.03 0.47 -0.19 -0.55 8.42 8.17 1lzxB1 LYS 447 HA 0.03 0.04 0.46 -0.75 4.32 4.10 1lzxB1 LYS 447 HB2 -0.00 0.06 0.12 -0.04 1.87 2.00 1lzxB1 LYS 447 HB3 0.02 0.04 0.09 -0.04 1.79 1.90 1lzxB1 LYS 447 HG2 0.02 -0.01 -0.09 -0.04 1.46 1.35 1lzxB1 LYS 447 HG3 0.01 -0.01 0.05 -0.04 1.46 1.47 1lzxB1 LYS 447 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 1lzxB1 LYS 447 HD3 -0.00 -0.01 -0.03 -0.04 1.68 1.60 1lzxB1 LYS 447 HE2 0.01 0.00 -0.03 -0.04 2.99 2.92 1lzxB1 LYS 447 HE3 0.00 0.01 -0.03 -0.04 2.99 2.94 1lzxB1 TYR 448 H 0.16 0.51 -0.16 -0.55 8.29 8.25 1lzxB1 TYR 448 HA 0.06 -0.02 0.38 -0.75 4.56 4.22 1lzxB1 TYR 448 HB2 0.07 -0.04 0.11 -0.04 3.06 3.16 1lzxB1 TYR 448 HB3 0.11 0.07 0.17 -0.04 2.98 3.29 1lzxB1 TYR 448 HD2 0.16 0.01 -0.14 -0.04 7.15 7.14 1lzxB1 TYR 448 HE2 0.04 0.03 -0.11 -0.04 6.85 6.77 1lzxB1 ALA 449 H 0.30 0.67 -0.06 -0.55 8.40 8.76 1lzxB1 ALA 449 HA 0.09 0.11 0.42 -0.75 4.34 4.21 1lzxB1 ALA 449 HB3 0.26 -0.03 0.03 -0.04 1.41 1.63 1lzxB1 THR 450 H 0.09 0.51 -0.25 -0.55 8.28 8.09 1lzxB1 THR 450 HA 0.08 -0.01 0.37 -0.75 4.39 4.08 1lzxB1 THR 450 HB 0.04 0.04 0.18 -0.04 4.32 4.53 1lzxB1 THR 450 HG23 0.04 -0.07 -0.08 -0.04 1.22 1.06 1lzxB1 ASN 451 H -0.02 0.54 -0.08 -0.55 8.53 8.42 1lzxB1 ASN 451 HA -0.05 -0.01 0.31 -0.75 4.76 4.25 1lzxB1 ASN 451 HB2 -0.16 0.23 -0.21 -0.04 2.88 2.71 1lzxB1 ASN 451 HB3 -0.06 0.24 -0.29 -0.04 2.79 2.64 1lzxB1 ASN 451 HD21 -0.08 -0.15 0.04 -0.04 7.03 6.81 1lzxB1 ASN 451 HD22 -0.09 0.40 0.09 -0.04 7.74 8.11 1lzxB1 LYS 452 H -0.01 0.07 -0.19 -0.55 8.42 7.74 1lzxB1 LYS 452 HA -0.01 -0.02 0.25 -0.75 4.32 3.80 1lzxB1 LYS 452 HB2 -0.02 0.15 -0.10 -0.04 1.87 1.85 1lzxB1 LYS 452 HB3 -0.02 0.01 0.23 -0.04 1.79 1.97 1lzxB1 LYS 452 HG2 -0.01 0.00 0.03 -0.04 1.46 1.45 1lzxB1 LYS 452 HG3 -0.01 -0.06 -0.09 -0.04 1.46 1.26 1lzxB1 LYS 452 HD2 -0.02 0.02 -0.06 -0.04 1.69 1.60 1lzxB1 LYS 452 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 1lzxB1 LYS 452 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1lzxB1 LYS 452 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.91 1lzxB1 GLY 453 H 0.00 0.44 -0.44 -0.55 8.43 7.89 1lzxB1 GLY 453 HA2 0.01 -0.15 0.38 -0.51 4.01 3.73 1lzxB1 GLY 453 HA3 -0.02 0.38 0.96 -0.51 4.01 4.82 1lzxB1 ASN 454 H -0.03 0.55 -0.19 -0.55 8.53 8.31 1lzxB1 ASN 454 HA -0.08 -0.01 0.75 -0.75 4.76 4.67 1lzxB1 ASN 454 HB2 -0.06 -0.02 0.09 -0.04 2.88 2.85 1lzxB1 ASN 454 HB3 -0.05 0.09 0.24 -0.04 2.79 3.02 1lzxB1 ASN 454 HD21 -0.06 -0.07 0.01 -0.04 7.03 6.87 1lzxB1 ASN 454 HD22 -0.05 -0.02 0.04 -0.04 7.74 7.67 1lzxB1 LEU 455 H -0.02 0.09 -0.10 -0.55 8.37 7.79 1lzxB1 LEU 455 HA 0.08 0.42 0.36 -0.75 4.35 4.46 1lzxB1 LEU 455 HB2 0.23 -0.17 0.01 -0.04 1.64 1.67 1lzxB1 LEU 455 HB3 0.33 0.12 -0.05 -0.04 1.64 2.00 1lzxB1 LEU 455 HG 0.12 -0.06 0.10 -0.04 1.64 1.76 1lzxB1 LEU 455 HD13 0.33 0.01 0.11 -0.04 0.93 1.34 1lzxB1 LEU 455 HD23 0.12 0.03 -0.04 -0.04 0.89 0.96 1lzxB1 ARG 456 H 0.12 0.60 0.28 -0.55 8.46 8.91 1lzxB1 ARG 456 HA 0.27 0.05 0.85 -0.75 4.34 4.76 1lzxB1 ARG 456 HB2 -0.16 0.04 0.06 -0.04 1.90 1.79 1lzxB1 ARG 456 HB3 0.10 -0.05 -0.02 -0.04 1.80 1.79 1lzxB1 ARG 456 HG2 0.01 -0.06 -0.05 -0.04 1.67 1.53 1lzxB1 ARG 456 HG3 -0.08 0.26 -0.22 -0.04 1.67 1.59 1lzxB1 ARG 456 HD2 -0.21 -0.10 -0.04 -0.04 3.22 2.83 1lzxB1 ARG 456 HD3 -0.14 -0.07 -0.02 -0.04 3.22 2.95 1lzxB1 SER 457 H 0.30 0.10 0.14 -0.55 8.46 8.45 1lzxB1 SER 457 HA 0.04 0.25 0.62 -0.75 4.49 4.64 1lzxB1 SER 457 HB2 0.16 0.14 0.25 -0.04 3.95 4.47 1lzxB1 SER 457 HB3 -0.19 -0.01 0.12 -0.04 3.93 3.81 1lzxB1 ALA 458 H -0.00 0.54 0.47 -0.55 8.40 8.86 1lzxB1 ALA 458 HA -0.10 0.11 0.72 -0.75 4.34 4.32 1lzxB1 ALA 458 HB3 -0.11 0.01 -0.04 -0.04 1.41 1.23 1lzxB1 ILE 459 H -0.15 0.61 0.37 -0.55 8.25 8.53 1lzxB1 ILE 459 HA 0.24 0.31 0.95 -0.75 4.18 4.93 1lzxB1 ILE 459 HB 0.05 0.00 -0.11 -0.04 1.89 1.79 1lzxB1 ILE 459 HG12 0.03 -0.11 -0.46 -0.04 1.49 0.91 1lzxB1 ILE 459 HG13 0.17 0.28 -0.24 -0.04 1.21 1.38 1lzxB1 ILE 459 HG23 -0.04 -0.03 -0.11 -0.04 0.93 0.71 1lzxB1 ILE 459 HD13 0.22 -0.03 -0.15 -0.04 0.88 0.88 1lzxB1 THR 460 H 0.18 0.69 0.17 -0.55 8.28 8.77 1lzxB1 THR 460 HA -0.03 0.17 0.97 -0.75 4.39 4.75 1lzxB1 THR 460 HB 0.04 0.03 0.07 -0.04 4.32 4.43 1lzxB1 THR 460 HG23 -0.60 -0.03 -0.22 -0.04 1.22 0.32 1lzxB1 ILE 461 H -0.32 0.54 0.27 -0.55 8.25 8.18 1lzxB1 ILE 461 HA -0.21 0.30 1.09 -0.75 4.18 4.61 1lzxB1 ILE 461 HB -0.33 -0.13 0.12 -0.04 1.89 1.51 1lzxB1 ILE 461 HG12 -0.18 0.10 -0.20 -0.04 1.49 1.17 1lzxB1 ILE 461 HG13 -0.16 -0.06 -0.47 -0.04 1.21 0.47 1lzxB1 ILE 461 HG23 -0.62 0.03 -0.13 -0.04 0.93 0.17 1lzxB1 ILE 461 HD13 -0.29 -0.02 -0.15 -0.04 0.88 0.38 1lzxB1 PHE 462 H -0.05 0.58 0.21 -0.55 8.34 8.53 1lzxB1 PHE 462 HA -0.25 0.14 0.45 -0.75 4.62 4.21 1lzxB1 PHE 462 HB2 -0.02 0.09 0.08 -0.04 3.15 3.26 1lzxB1 PHE 462 HB3 -0.33 0.01 0.09 -0.04 3.06 2.78 1lzxB1 PHE 462 HD2 -0.08 0.11 -0.08 -0.04 7.28 7.20 1lzxB1 PHE 462 HE2 -0.01 -0.01 -0.09 -0.04 7.38 7.23 1lzxB1 PHE 462 HZ 0.05 0.02 -0.06 -0.04 7.32 7.28 1lzxB1 PRO 463 HA -0.05 -0.08 0.46 -0.51 4.44 4.26 1lzxB1 PRO 463 HB2 -0.72 -0.04 0.11 -0.04 2.28 1.60 1lzxB1 PRO 463 HB3 -0.17 0.05 0.14 -0.04 2.02 2.00 1lzxB1 PRO 463 HG2 -0.59 0.24 0.12 -0.04 2.03 1.77 1lzxB1 PRO 463 HG3 -0.22 0.17 0.19 -0.04 2.03 2.13 1lzxB1 PRO 463 HD2 -1.39 -0.00 0.17 -0.04 3.68 2.41 1lzxB1 PRO 463 HD3 -0.22 0.29 0.28 -0.04 3.65 3.95 1lzxB1 GLN 464 H -0.06 0.02 0.17 -0.55 8.47 8.06 1lzxB1 GLN 464 HA -0.32 0.06 0.56 -0.75 4.36 3.91 1lzxB1 GLN 464 HB2 -0.69 0.01 0.09 -0.04 2.15 1.53 1lzxB1 GLN 464 HB3 -1.18 -0.06 0.06 -0.04 2.02 0.80 1lzxB1 GLN 464 HG2 -0.17 -0.11 0.05 -0.04 2.40 2.14 1lzxB1 GLN 464 HG3 -0.23 0.17 -0.21 -0.04 2.39 2.08 1lzxB1 GLN 464 HE21 -0.28 0.37 0.15 -0.04 6.97 7.17 1lzxB1 GLN 464 HE22 -0.20 0.02 0.01 -0.04 7.69 7.48 1lzxB1 ARG 465 H -0.21 0.76 0.43 -0.55 8.46 8.89 1lzxB1 ARG 465 HA 0.03 -0.04 0.49 -0.75 4.34 4.06 1lzxB1 ARG 465 HB2 -0.02 -0.01 0.14 -0.04 1.90 1.97 1lzxB1 ARG 465 HB3 -0.09 0.02 0.21 -0.04 1.80 1.90 1lzxB1 ARG 465 HG2 -0.02 0.11 -0.33 -0.04 1.67 1.38 1lzxB1 ARG 465 HG3 0.02 -0.26 -0.00 -0.04 1.67 1.39 1lzxB1 ARG 465 HD2 -0.03 0.03 -0.04 -0.04 3.22 3.14 1lzxB1 ARG 465 HD3 -0.01 0.10 -0.06 -0.04 3.22 3.21 1lzxB1 THR 466 H 0.03 -0.11 0.10 -0.55 8.28 7.76 1lzxB1 THR 466 HA -0.04 0.29 0.96 -0.75 4.39 4.84 1lzxB1 THR 466 HB -0.04 0.08 0.06 -0.04 4.32 4.38 1lzxB1 THR 466 HG23 -0.02 0.06 -0.10 -0.04 1.22 1.12 1lzxB1 ASP 467 H 0.04 0.03 0.17 -0.55 8.40 8.09 1lzxB1 ASP 467 HA 0.01 0.33 0.81 -0.75 4.63 5.03 1lzxB1 ASP 467 HB2 0.04 0.09 0.15 -0.04 2.71 2.94 1lzxB1 ASP 467 HB3 0.00 0.05 0.05 -0.04 2.70 2.76 1lzxB1 GLY 468 H 0.06 -0.12 -0.09 -0.55 8.43 7.73 1lzxB1 GLY 468 HA2 0.03 0.01 0.28 -0.51 4.01 3.82 1lzxB1 GLY 468 HA3 0.02 0.31 0.57 -0.51 4.01 4.40 1lzxB1 LYS 469 H 0.16 -0.07 -0.31 -0.55 8.42 7.64 1lzxB1 LYS 469 HA -0.02 0.30 0.86 -0.75 4.32 4.71 1lzxB1 LYS 469 HB2 0.18 -0.06 -0.04 -0.04 1.87 1.91 1lzxB1 LYS 469 HB3 -0.08 0.06 0.12 -0.04 1.79 1.84 1lzxB1 LYS 469 HG2 0.00 0.08 -0.08 -0.04 1.46 1.41 1lzxB1 LYS 469 HG3 0.05 0.07 -0.27 -0.04 1.46 1.27 1lzxB1 LYS 469 HD2 0.08 -0.04 -0.03 -0.04 1.69 1.66 1lzxB1 LYS 469 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.65 1lzxB1 LYS 469 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 1lzxB1 LYS 469 HE3 0.03 0.06 -0.02 -0.04 2.99 3.02 1lzxB1 HIS 470 H 0.19 -0.15 -0.09 -0.55 8.41 7.82 1lzxB1 HIS 470 HA -0.01 0.42 0.47 -0.75 4.63 4.76 1lzxB1 HIS 470 HB2 0.05 -0.16 0.05 -0.04 3.26 3.15 1lzxB1 HIS 470 HB3 0.04 0.05 0.08 -0.04 3.20 3.33 1lzxB1 HIS 470 HD2 0.02 0.05 0.03 -0.04 6.97 7.02 1lzxB1 HIS 470 HE1 0.01 0.01 -0.07 -0.04 7.75 7.65 1lzxB1 ASP 471 H 0.05 0.17 -0.32 -0.55 8.40 7.76 1lzxB1 ASP 471 HA 0.17 0.04 0.28 -0.75 4.63 4.36 1lzxB1 ASP 471 HB2 0.04 0.05 -0.10 -0.04 2.71 2.65 1lzxB1 ASP 471 HB3 0.07 0.17 -0.18 -0.04 2.70 2.73 1lzxB1 PHE 472 H 0.36 0.20 0.14 -0.55 8.34 8.49 1lzxB1 PHE 472 HA 0.01 0.16 0.79 -0.75 4.62 4.83 1lzxB1 PHE 472 HB2 0.09 0.08 0.12 -0.04 3.15 3.40 1lzxB1 PHE 472 HB3 -0.03 0.01 0.02 -0.04 3.06 3.02 1lzxB1 PHE 472 HD2 -0.05 0.04 -0.01 -0.04 7.28 7.22 1lzxB1 PHE 472 HE2 0.05 -0.03 -0.15 -0.04 7.38 7.21 1lzxB1 PHE 472 HZ 0.07 0.12 0.03 -0.04 7.32 7.50 1lzxB1 ARG 473 H 0.08 0.65 0.28 -0.55 8.46 8.92 1lzxB1 ARG 473 HA 0.12 0.25 0.58 -0.75 4.34 4.54 1lzxB1 ARG 473 HB2 0.25 -0.08 -0.11 -0.04 1.90 1.92 1lzxB1 ARG 473 HB3 0.07 0.05 -0.14 -0.04 1.80 1.74 1lzxB1 ARG 473 HG2 0.05 -0.11 -0.72 -0.04 1.67 0.85 1lzxB1 ARG 473 HG3 -0.07 -0.04 -0.18 -0.04 1.67 1.34 1lzxB1 ARG 473 HD2 0.06 0.22 0.06 -0.04 3.22 3.53 1lzxB1 ARG 473 HD3 -0.00 -0.12 -0.08 -0.04 3.22 2.98 1lzxB1 VAL 474 H 0.11 0.43 0.15 -0.55 8.24 8.38 1lzxB1 VAL 474 HA 0.14 0.05 0.92 -0.75 4.13 4.49 1lzxB1 VAL 474 HB 0.06 0.37 0.31 -0.04 2.12 2.82 1lzxB1 VAL 474 HG13 0.02 -0.02 -0.09 -0.04 0.97 0.85 1lzxB1 VAL 474 HG23 0.07 -0.04 -0.04 -0.04 0.95 0.90 1lzxB1 TRP 475 H 0.52 0.45 0.16 -0.55 7.97 8.56 1lzxB1 TRP 475 HA 0.09 0.07 0.44 -0.75 4.62 4.46 1lzxB1 TRP 475 HB2 0.29 0.06 0.10 -0.04 3.23 3.64 1lzxB1 TRP 475 HB3 0.55 -0.06 0.02 -0.04 3.23 3.70 1lzxB1 TRP 475 HD1 -0.01 -0.05 -0.30 -0.04 7.22 6.81 1lzxB1 TRP 475 HE1 -0.22 0.04 -0.14 -0.04 10.20 9.84 1lzxB1 TRP 475 HE3 0.50 -0.01 -0.05 -0.04 7.59 7.98 1lzxB1 TRP 475 HZ2 -0.85 0.06 -0.15 -0.04 7.44 6.46 1lzxB1 TRP 475 HZ3 0.53 0.02 -0.05 -0.04 7.13 7.59 1lzxB1 TRP 475 HH2 -0.13 0.06 -0.12 -0.04 7.19 6.96 1lzxB1 ASN 476 H 0.07 0.00 -0.21 -0.55 8.53 7.85 1lzxB1 ASN 476 HA -1.11 0.01 0.41 -0.75 4.76 3.31 1lzxB1 ASN 476 HB2 -0.15 -0.02 -0.27 -0.04 2.88 2.40 1lzxB1 ASN 476 HB3 -0.32 0.10 -0.02 -0.04 2.79 2.51 1lzxB1 ASN 476 HD21 0.10 0.32 0.11 -0.04 7.03 7.52 1lzxB1 ASN 476 HD22 -0.07 0.04 -0.08 -0.04 7.74 7.58 1lzxB1 SER 477 H -0.31 0.07 0.13 -0.55 8.46 7.81 1lzxB1 SER 477 HA -0.08 0.18 0.56 -0.75 4.49 4.40 1lzxB1 SER 477 HB2 -0.02 -0.03 0.03 -0.04 3.95 3.89 1lzxB1 SER 477 HB3 -0.01 0.06 0.09 -0.04 3.93 4.04 1lzxB1 GLN 478 H -0.17 0.17 -0.07 -0.55 8.47 7.86 1lzxB1 GLN 478 HA -0.16 0.35 0.73 -0.75 4.36 4.52 1lzxB1 GLN 478 HB2 -0.10 -0.03 -0.10 -0.04 2.15 1.88 1lzxB1 GLN 478 HB3 -0.12 -0.01 -0.03 -0.04 2.02 1.82 1lzxB1 GLN 478 HG2 -0.08 0.00 -0.24 -0.04 2.40 2.04 1lzxB1 GLN 478 HG3 -0.01 -0.05 -0.35 -0.04 2.39 1.94 1lzxB1 GLN 478 HE21 0.29 -0.01 -0.04 -0.04 6.97 7.17 1lzxB1 GLN 478 HE22 0.13 0.01 -0.08 -0.04 7.69 7.70 1lzxB1 LEU 479 H -0.18 0.51 0.13 -0.55 8.37 8.28 1lzxB1 LEU 479 HA -0.12 0.01 0.30 -0.75 4.35 3.78 1lzxB1 LEU 479 HB2 -0.17 -0.01 0.04 -0.04 1.64 1.46 1lzxB1 LEU 479 HB3 -0.13 -0.01 -0.03 -0.04 1.64 1.43 1lzxB1 LEU 479 HG -0.21 0.13 -0.03 -0.04 1.64 1.49 1lzxB1 LEU 479 HD13 -0.34 0.01 -0.10 -0.04 0.93 0.45 1lzxB1 LEU 479 HD23 -0.08 -0.01 -0.06 -0.04 0.89 0.70 1lzxB1 ILE 480 H -0.27 0.09 -0.20 -0.55 8.25 7.32 1lzxB1 ILE 480 HA -0.33 0.23 0.89 -0.75 4.18 4.22 1lzxB1 ILE 480 HB -0.52 0.06 0.08 -0.04 1.89 1.47 1lzxB1 ILE 480 HG12 -0.17 0.09 -0.17 -0.04 1.49 1.20 1lzxB1 ILE 480 HG13 -0.17 -0.10 -0.29 -0.04 1.21 0.61 1lzxB1 ILE 480 HG23 -0.68 -0.01 -0.16 -0.04 0.93 0.03 1lzxB1 ILE 480 HD13 -0.07 0.01 -0.04 -0.04 0.88 0.74 1lzxB1 ARG 481 H -0.43 0.35 0.16 -0.55 8.46 7.99 1lzxB1 ARG 481 HA -0.71 0.06 0.50 -0.75 4.34 3.43 1lzxB1 ARG 481 HB2 -0.21 0.04 -0.41 -0.04 1.90 1.28 1lzxB1 ARG 481 HB3 -0.10 0.04 -0.13 -0.04 1.80 1.57 1lzxB1 ARG 481 HG2 0.10 -0.06 0.12 -0.04 1.67 1.79 1lzxB1 ARG 481 HG3 -0.01 0.11 0.06 -0.04 1.67 1.79 1lzxB1 ARG 481 HD2 -0.01 -0.10 -0.07 -0.04 3.22 3.00 1lzxB1 ARG 481 HD3 0.06 0.02 -0.05 -0.04 3.22 3.21 1lzxB1 TYR 482 H -0.09 0.12 0.12 -0.55 8.29 7.89 1lzxB1 TYR 482 HA 0.03 0.32 0.76 -0.75 4.56 4.91 1lzxB1 TYR 482 HB2 0.20 -0.04 0.11 -0.04 3.06 3.29 1lzxB1 TYR 482 HB3 0.16 0.06 0.01 -0.04 2.98 3.17 1lzxB1 TYR 482 HD2 -0.16 -0.00 -0.39 -0.04 7.15 6.56 1lzxB1 TYR 482 HE2 -0.46 0.02 -0.09 -0.04 6.85 6.28 1lzxB1 ALA 483 H 0.22 0.55 0.27 -0.55 8.40 8.89 1lzxB1 ALA 483 HA -0.01 0.05 0.43 -0.75 4.34 4.05 1lzxB1 ALA 483 HB3 0.02 -0.01 0.03 -0.04 1.41 1.42 1lzxB1 GLY 484 H -0.25 0.22 0.10 -0.55 8.43 7.96 1lzxB1 GLY 484 HA2 -0.14 0.23 0.83 -0.51 4.01 4.41 1lzxB1 GLY 484 HA3 -0.09 0.18 0.13 -0.51 4.01 3.72 1lzxB1 TYR 485 H 0.07 0.82 0.19 -0.55 8.29 8.82 1lzxB1 TYR 485 HA 0.02 0.16 0.99 -0.75 4.56 4.98 1lzxB1 TYR 485 HB2 -0.00 -0.05 -0.01 -0.04 3.06 2.95 1lzxB1 TYR 485 HB3 -0.00 0.05 -0.04 -0.04 2.98 2.95 1lzxB1 TYR 485 HD2 0.02 0.10 -0.14 -0.04 7.15 7.09 1lzxB1 TYR 485 HE2 0.07 0.08 -0.12 -0.04 6.85 6.84 1lzxB1 LYS 486 H 0.09 0.15 0.10 -0.55 8.42 8.21 1lzxB1 LYS 486 HA 0.04 0.17 0.68 -0.75 4.32 4.46 1lzxB1 LYS 486 HB2 0.02 -0.03 0.03 -0.04 1.87 1.85 1lzxB1 LYS 486 HB3 0.03 -0.04 0.12 -0.04 1.79 1.86 1lzxB1 LYS 486 HG2 0.02 -0.05 -0.06 -0.04 1.46 1.32 1lzxB1 LYS 486 HG3 0.02 0.11 -0.30 -0.04 1.46 1.25 1lzxB1 LYS 486 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.61 1lzxB1 LYS 486 HD3 0.02 0.14 -0.09 -0.04 1.68 1.71 1lzxB1 LYS 486 HE2 0.02 -0.07 -0.06 -0.04 2.99 2.84 1lzxB1 LYS 486 HE3 0.02 -0.05 -0.03 -0.04 2.99 2.88 1lzxB1 GLN 487 H 0.02 0.73 0.26 -0.55 8.47 8.94 1lzxB1 GLN 487 HA 0.01 0.18 0.64 -0.75 4.36 4.44 1lzxB1 GLN 487 HB2 0.00 -0.15 0.01 -0.04 2.15 1.97 1lzxB1 GLN 487 HB3 -0.01 -0.03 0.06 -0.04 2.02 2.01 1lzxB1 GLN 487 HG2 0.02 0.09 -0.17 -0.04 2.40 2.30 1lzxB1 GLN 487 HG3 0.00 -0.04 -0.17 -0.04 2.39 2.14 1lzxB1 GLN 487 HE21 -0.04 0.04 -0.07 -0.04 6.97 6.86 1lzxB1 GLN 487 HE22 -0.01 -0.02 -0.09 -0.04 7.69 7.52 1lzxB1 PRO 488 HA -0.00 0.14 0.44 -0.51 4.44 4.51 1lzxB1 PRO 488 HB2 -0.01 0.03 0.02 -0.04 2.28 2.29 1lzxB1 PRO 488 HB3 -0.01 0.05 0.11 -0.04 2.02 2.14 1lzxB1 PRO 488 HG2 -0.01 -0.01 0.08 -0.04 2.03 2.04 1lzxB1 PRO 488 HG3 -0.02 0.07 0.08 -0.04 2.03 2.11 1lzxB1 PRO 488 HD2 -0.01 0.07 0.22 -0.04 3.68 3.92 1lzxB1 PRO 488 HD3 -0.01 0.19 0.17 -0.04 3.65 3.96 1lzxB1 ASP 489 H -0.00 0.07 -0.30 -0.55 8.40 7.61 1lzxB1 ASP 489 HA -0.00 0.15 0.51 -0.75 4.63 4.53 1lzxB1 ASP 489 HB2 -0.00 0.03 0.13 -0.04 2.71 2.83 1lzxB1 ASP 489 HB3 -0.01 0.00 0.06 -0.04 2.70 2.71 1lzxB1 GLY 490 H 0.00 0.51 -0.57 -0.55 8.43 7.83 1lzxB1 GLY 490 HA2 0.01 0.04 0.28 -0.51 4.01 3.83 1lzxB1 GLY 490 HA3 0.01 0.12 0.62 -0.51 4.01 4.25 1lzxB1 SER 491 H 0.00 -0.06 -0.33 -0.55 8.46 7.53 1lzxB1 SER 491 HA 0.00 0.17 0.59 -0.75 4.49 4.50 1lzxB1 SER 491 HB2 -0.00 0.05 0.09 -0.04 3.95 4.05 1lzxB1 SER 491 HB3 0.00 0.02 0.01 -0.04 3.93 3.92 1lzxB1 THR 492 H -0.01 0.24 0.16 -0.55 8.28 8.13 1lzxB1 THR 492 HA 0.02 0.24 1.08 -0.75 4.39 4.98 1lzxB1 THR 492 HB -0.03 0.04 0.02 -0.04 4.32 4.31 1lzxB1 THR 492 HG23 -0.03 -0.02 -0.44 -0.04 1.22 0.69 1lzxB1 LEU 493 H 0.07 0.76 0.26 -0.55 8.37 8.92 1lzxB1 LEU 493 HA -0.01 0.14 0.85 -0.75 4.35 4.58 1lzxB1 LEU 493 HB2 0.03 -0.03 -0.05 -0.04 1.64 1.55 1lzxB1 LEU 493 HB3 0.17 -0.03 0.07 -0.04 1.64 1.80 1lzxB1 LEU 493 HG 0.16 0.15 -0.46 -0.04 1.64 1.44 1lzxB1 LEU 493 HD13 0.00 -0.05 -0.06 -0.04 0.93 0.78 1lzxB1 LEU 493 HD23 -0.06 -0.02 -0.21 -0.04 0.89 0.56 1lzxB1 GLY 494 H -0.11 0.15 0.17 -0.55 8.43 8.09 1lzxB1 GLY 494 HA2 -0.18 0.21 0.45 -0.51 4.01 3.99 1lzxB1 GLY 494 HA3 -0.03 0.23 0.80 -0.51 4.01 4.51 1lzxB1 ASP 495 H -0.01 0.56 0.09 -0.55 8.40 8.50 1lzxB1 ASP 495 HA -0.35 0.22 0.70 -0.75 4.63 4.44 1lzxB1 ASP 495 HB2 0.49 0.02 0.05 -0.04 2.71 3.23 1lzxB1 ASP 495 HB3 0.20 0.09 0.06 -0.04 2.70 3.01 1lzxB1 PRO 496 HA -0.01 -0.00 0.28 -0.51 4.44 4.19 1lzxB1 PRO 496 HB2 0.02 0.31 0.04 -0.04 2.28 2.61 1lzxB1 PRO 496 HB3 0.00 -0.03 0.03 -0.04 2.02 1.98 1lzxB1 PRO 496 HG2 -0.04 0.25 -0.16 -0.04 2.03 2.05 1lzxB1 PRO 496 HG3 -0.07 0.00 -0.09 -0.04 2.03 1.83 1lzxB1 PRO 496 HD2 -0.04 -0.05 0.12 -0.04 3.68 3.68 1lzxB1 PRO 496 HD3 -0.31 0.44 0.17 -0.04 3.65 3.91 1lzxB1 ALA 497 H 0.09 0.12 -0.25 -0.55 8.40 7.81 1lzxB1 ALA 497 HA 0.08 0.10 0.44 -0.75 4.34 4.20 1lzxB1 ALA 497 HB3 0.15 0.01 0.06 -0.04 1.41 1.58 1lzxB1 ASN 498 H 0.08 0.42 -0.35 -0.55 8.53 8.14 1lzxB1 ASN 498 HA 0.11 0.16 0.92 -0.75 4.76 5.20 1lzxB1 ASN 498 HB2 0.08 0.20 0.09 -0.04 2.88 3.20 1lzxB1 ASN 498 HB3 0.14 -0.10 0.13 -0.04 2.79 2.92 1lzxB1 ASN 498 HD21 0.17 -0.11 -0.01 -0.04 7.03 7.04 1lzxB1 ASN 498 HD22 0.16 0.63 0.09 -0.04 7.74 8.58 1lzxB1 VAL 499 H 0.03 0.45 -0.29 -0.55 8.24 7.88 1lzxB1 VAL 499 HA -0.05 0.25 0.38 -0.75 4.13 3.95 1lzxB1 VAL 499 HB 0.01 0.07 0.10 -0.04 2.12 2.27 1lzxB1 VAL 499 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 1lzxB1 VAL 499 HG23 -0.01 0.00 -0.21 -0.04 0.95 0.70 1lzxB1 GLN 500 H 0.01 0.20 -0.07 -0.55 8.47 8.06 1lzxB1 GLN 500 HA -0.09 0.09 0.39 -0.75 4.36 3.99 1lzxB1 GLN 500 HB2 -0.01 0.04 0.10 -0.04 2.15 2.24 1lzxB1 GLN 500 HB3 -0.05 0.00 0.09 -0.04 2.02 2.02 1lzxB1 GLN 500 HG2 -0.52 -0.01 -0.19 -0.04 2.40 1.63 1lzxB1 GLN 500 HG3 -0.15 0.01 0.03 -0.04 2.39 2.25 1lzxB1 GLN 500 HE21 0.29 0.02 -0.04 -0.04 6.97 7.20 1lzxB1 GLN 500 HE22 -0.04 0.01 -0.03 -0.04 7.69 7.58 1lzxB1 PHE 501 H 0.02 0.13 -0.20 -0.55 8.34 7.73 1lzxB1 PHE 501 HA -0.50 0.05 0.40 -0.75 4.62 3.82 1lzxB1 PHE 501 HB2 -0.12 0.02 0.10 -0.04 3.15 3.11 1lzxB1 PHE 501 HB3 -0.07 0.07 0.10 -0.04 3.06 3.12 1lzxB1 PHE 501 HD2 -0.03 0.01 -0.08 -0.04 7.28 7.15 1lzxB1 PHE 501 HE2 0.08 0.04 -0.12 -0.04 7.38 7.34 1lzxB1 PHE 501 HZ -0.02 -0.01 -0.05 -0.04 7.32 7.20 1lzxB1 THR 502 H -0.03 0.60 -0.13 -0.55 8.28 8.17 1lzxB1 THR 502 HA -0.22 -0.02 0.47 -0.75 4.39 3.87 1lzxB1 THR 502 HB -0.10 0.28 0.32 -0.04 4.32 4.77 1lzxB1 THR 502 HG23 -0.10 -0.02 -0.06 -0.04 1.22 1.01 1lzxB1 GLU 503 H -0.11 0.53 -0.10 -0.55 8.60 8.38 1lzxB1 GLU 503 HA -0.01 0.01 0.46 -0.75 4.29 3.99 1lzxB1 GLU 503 HB2 -0.11 0.11 0.13 -0.04 2.09 2.18 1lzxB1 GLU 503 HB3 -0.05 -0.05 0.08 -0.04 1.99 1.94 1lzxB1 GLU 503 HG2 -0.00 -0.07 0.08 -0.04 2.34 2.31 1lzxB1 GLU 503 HG3 -0.05 0.52 0.18 -0.04 2.34 2.95 1lzxB1 ILE 504 H -0.26 0.43 -0.18 -0.55 8.25 7.69 1lzxB1 ILE 504 HA -0.10 0.04 0.45 -0.75 4.18 3.81 1lzxB1 ILE 504 HB -0.35 0.13 0.16 -0.04 1.89 1.79 1lzxB1 ILE 504 HG12 -0.11 -0.01 0.02 -0.04 1.49 1.34 1lzxB1 ILE 504 HG13 -0.34 0.18 0.08 -0.04 1.21 1.08 1lzxB1 ILE 504 HG23 0.16 -0.02 -0.10 -0.04 0.93 0.93 1lzxB1 ILE 504 HD13 -0.69 -0.03 -0.04 -0.04 0.88 0.08 1lzxB1 CYS 505 H -0.41 0.54 -0.12 -0.55 8.50 7.97 1lzxB1 CYS 505 HA -0.22 0.01 0.34 -0.75 4.58 3.96 1lzxB1 CYS 505 HB2 -0.22 0.14 0.21 -0.04 2.97 3.06 1lzxB1 CYS 505 HB3 -0.21 -0.08 -0.02 -0.04 2.97 2.62 1lzxB1 ILE 506 H 0.06 0.60 -0.08 -0.55 8.25 8.28 1lzxB1 ILE 506 HA 0.15 0.18 0.49 -0.75 4.18 4.25 1lzxB1 ILE 506 HB 0.04 0.08 0.20 -0.04 1.89 2.17 1lzxB1 ILE 506 HG12 0.09 -0.04 0.07 -0.04 1.49 1.56 1lzxB1 ILE 506 HG13 0.34 0.10 0.10 -0.04 1.21 1.71 1lzxB1 ILE 506 HG23 -0.01 0.00 -0.07 -0.04 0.93 0.81 1lzxB1 ILE 506 HD13 0.21 -0.03 -0.02 -0.04 0.88 0.99 1lzxB1 GLN 507 H -0.03 0.62 -0.12 -0.55 8.47 8.39 1lzxB1 GLN 507 HA -0.05 -0.01 0.40 -0.75 4.36 3.95 1lzxB1 GLN 507 HB2 -0.06 -0.03 0.14 -0.04 2.15 2.15 1lzxB1 GLN 507 HB3 -0.07 0.09 0.21 -0.04 2.02 2.20 1lzxB1 GLN 507 HG2 -0.13 0.03 -0.24 -0.04 2.40 2.03 1lzxB1 GLN 507 HG3 -0.10 -0.05 0.06 -0.04 2.39 2.27 1lzxB1 GLN 507 HE21 -0.19 -0.03 -0.01 -0.04 6.97 6.70 1lzxB1 GLN 507 HE22 -0.22 -0.00 -0.02 -0.04 7.69 7.40 1lzxB1 GLN 508 H -0.05 0.47 -0.33 -0.55 8.47 8.01 1lzxB1 GLN 508 HA -0.06 0.04 0.48 -0.75 4.36 4.06 1lzxB1 GLN 508 HB2 -0.07 0.05 0.09 -0.04 2.15 2.17 1lzxB1 GLN 508 HB3 -0.08 -0.10 0.07 -0.04 2.02 1.88 1lzxB1 GLN 508 HG2 -0.05 0.31 0.00 -0.04 2.40 2.63 1lzxB1 GLN 508 HG3 -0.08 -0.12 -0.10 -0.04 2.39 2.06 1lzxB1 GLN 508 HE21 -0.32 -0.03 -0.06 -0.04 6.97 6.52 1lzxB1 GLN 508 HE22 -0.04 0.01 -0.06 -0.04 7.69 7.56 1lzxB1 GLY 509 H 0.01 0.44 -0.46 -0.55 8.43 7.87 1lzxB1 GLY 509 HA2 -0.02 0.00 0.23 -0.51 4.01 3.72 1lzxB1 GLY 509 HA3 -0.02 0.12 0.94 -0.51 4.01 4.54 1lzxB1 TRP 510 H 0.17 0.55 0.12 -0.55 7.97 8.26 1lzxB1 TRP 510 HA -0.07 0.00 0.42 -0.75 4.62 4.22 1lzxB1 TRP 510 HB2 -0.09 0.02 -0.06 -0.04 3.23 3.05 1lzxB1 TRP 510 HB3 -0.08 -0.07 -0.35 -0.04 3.23 2.70 1lzxB1 TRP 510 HD1 -0.04 -0.01 -0.05 -0.04 7.22 7.07 1lzxB1 TRP 510 HE1 0.01 0.01 -0.08 -0.04 10.20 10.11 1lzxB1 TRP 510 HE3 -0.03 0.02 -0.12 -0.04 7.59 7.41 1lzxB1 TRP 510 HZ2 0.07 0.06 -0.09 -0.04 7.44 7.45 1lzxB1 TRP 510 HZ3 0.05 -0.02 -0.03 -0.04 7.13 7.09 1lzxB1 TRP 510 HH2 0.14 -0.08 -0.10 -0.04 7.19 7.11 1lzxB1 LYS 511 H -0.30 0.14 0.10 -0.55 8.42 7.80 1lzxB1 LYS 511 HA -0.33 0.14 0.69 -0.75 4.32 4.07 1lzxB1 LYS 511 HB2 -0.24 -0.05 0.19 -0.04 1.87 1.73 1lzxB1 LYS 511 HB3 -0.23 0.02 0.03 -0.04 1.79 1.56 1lzxB1 LYS 511 HG2 -0.12 0.05 -0.04 -0.04 1.46 1.31 1lzxB1 LYS 511 HG3 -0.10 0.08 0.06 -0.04 1.46 1.46 1lzxB1 LYS 511 HD2 -0.07 -0.04 0.03 -0.04 1.69 1.56 1lzxB1 LYS 511 HD3 -0.10 -0.02 0.00 -0.04 1.68 1.53 1lzxB1 LYS 511 HE2 -0.06 0.02 -0.01 -0.04 2.99 2.90 1lzxB1 LYS 511 HE3 -0.05 0.03 0.02 -0.04 2.99 2.95 1lzxB1 ALA 512 H -0.62 0.26 0.02 -0.55 8.40 7.51 1lzxB1 ALA 512 HA -1.91 0.11 0.40 -0.75 4.34 2.19 1lzxB1 ALA 512 HB3 -0.32 -0.01 0.05 -0.04 1.41 1.08 1lzxB1 PRO 513 HA -0.16 0.15 0.46 -0.51 4.44 4.39 1lzxB1 PRO 513 HB2 0.01 -0.01 0.02 -0.04 2.28 2.26 1lzxB1 PRO 513 HB3 -0.04 0.07 0.08 -0.04 2.02 2.10 1lzxB1 PRO 513 HG2 0.15 -0.13 -0.03 -0.04 2.03 1.98 1lzxB1 PRO 513 HG3 0.17 0.06 0.04 -0.04 2.03 2.25 1lzxB1 PRO 513 HD2 -0.35 0.03 0.18 -0.04 3.68 3.50 1lzxB1 PRO 513 HD3 -0.29 0.31 0.20 -0.04 3.65 3.83 1lzxB1 ARG 514 H -0.22 -0.02 -0.55 -0.55 8.46 7.11 1lzxB1 ARG 514 HA -0.89 0.00 0.17 -0.75 4.34 2.87 1lzxB1 ARG 514 HB2 -0.28 0.10 -0.11 -0.04 1.90 1.58 1lzxB1 ARG 514 HB3 -0.51 -0.02 0.06 -0.04 1.80 1.29 1lzxB1 ARG 514 HG2 -0.77 -0.05 -0.09 -0.04 1.67 0.72 1lzxB1 ARG 514 HG3 -0.36 0.23 -0.28 -0.04 1.67 1.23 1lzxB1 ARG 514 HD2 -0.24 0.01 -0.05 -0.04 3.22 2.91 1lzxB1 ARG 514 HD3 -0.23 -0.00 -0.07 -0.04 3.22 2.88 1lzxB1 GLY 515 H 0.15 -0.04 -0.23 -0.55 8.43 7.76 1lzxB1 GLY 515 HA2 0.03 0.27 0.77 -0.51 4.01 4.57 1lzxB1 GLY 515 HA3 0.10 -0.02 0.20 -0.51 4.01 3.77 1lzxB1 ARG 516 H 0.09 0.18 0.10 -0.55 8.46 8.28 1lzxB1 ARG 516 HA -0.05 0.12 0.61 -0.75 4.34 4.27 1lzxB1 ARG 516 HB2 0.01 0.01 0.10 -0.04 1.90 1.98 1lzxB1 ARG 516 HB3 0.05 0.06 0.06 -0.04 1.80 1.93 1lzxB1 ARG 516 HG2 -0.60 0.00 0.11 -0.04 1.67 1.14 1lzxB1 ARG 516 HG3 -0.12 -0.08 0.16 -0.04 1.67 1.59 1lzxB1 ARG 516 HD2 0.09 -0.01 0.05 -0.04 3.22 3.31 1lzxB1 ARG 516 HD3 0.30 0.09 0.01 -0.04 3.22 3.58 1lzxB1 PHE 517 H 0.16 0.02 -0.24 -0.55 8.34 7.74 1lzxB1 PHE 517 HA -0.21 0.19 0.69 -0.75 4.62 4.53 1lzxB1 PHE 517 HB2 -0.10 -0.01 0.05 -0.04 3.15 3.04 1lzxB1 PHE 517 HB3 -0.67 -0.01 0.06 -0.04 3.06 2.40 1lzxB1 PHE 517 HD2 -0.83 -0.08 -0.06 -0.04 7.28 6.27 1lzxB1 PHE 517 HE2 -0.02 0.06 0.05 -0.04 7.38 7.43 1lzxB1 PHE 517 HZ -0.04 -0.04 0.05 -0.04 7.32 7.25 1lzxB1 ASP 518 H 0.29 0.22 -0.15 -0.55 8.40 8.21 1lzxB1 ASP 518 HA 0.31 0.17 0.68 -0.75 4.63 5.05 1lzxB1 ASP 518 HB2 0.49 -0.05 0.03 -0.04 2.71 3.14 1lzxB1 ASP 518 HB3 0.47 0.14 -0.04 -0.04 2.70 3.23 1lzxB1 VAL 519 H 0.26 0.17 0.12 -0.55 8.24 8.24 1lzxB1 VAL 519 HA -0.01 0.08 0.44 -0.75 4.13 3.88 1lzxB1 VAL 519 HB 0.09 -0.02 0.14 -0.04 2.12 2.29 1lzxB1 VAL 519 HG13 -0.10 0.04 -0.08 -0.04 0.97 0.79 1lzxB1 VAL 519 HG23 0.04 0.00 -0.04 -0.04 0.95 0.91 1lzxB1 LEU 520 H -0.11 0.57 0.39 -0.55 8.37 8.67 1lzxB1 LEU 520 HA -0.58 0.01 0.38 -0.75 4.35 3.40 1lzxB1 LEU 520 HB2 -0.10 -0.02 0.08 -0.04 1.64 1.56 1lzxB1 LEU 520 HB3 -0.10 0.13 0.04 -0.04 1.64 1.67 1lzxB1 LEU 520 HG -0.04 -0.03 -0.10 -0.04 1.64 1.43 1lzxB1 LEU 520 HD13 0.14 -0.02 -0.23 -0.04 0.93 0.78 1lzxB1 LEU 520 HD23 -0.30 -0.02 0.01 -0.04 0.89 0.54 1lzxB1 PRO 521 HA -0.19 0.06 0.71 -0.51 4.44 4.52 1lzxB1 PRO 521 HB2 -0.32 0.04 -0.04 -0.04 2.28 1.91 1lzxB1 PRO 521 HB3 -0.57 -0.01 0.01 -0.04 2.02 1.40 1lzxB1 PRO 521 HG2 -0.60 0.01 -0.07 -0.04 2.03 1.32 1lzxB1 PRO 521 HG3 -1.53 -0.00 -0.03 -0.04 2.03 0.42 1lzxB1 PRO 521 HD2 -1.07 0.03 0.18 -0.04 3.68 2.78 1lzxB1 PRO 521 HD3 -2.62 0.13 0.12 -0.04 3.65 1.25 1lzxB1 LEU 522 H -0.01 0.66 0.38 -0.55 8.37 8.85 1lzxB1 LEU 522 HA 0.06 0.10 0.62 -0.75 4.35 4.38 1lzxB1 LEU 522 HB2 0.18 -0.03 0.12 -0.04 1.64 1.88 1lzxB1 LEU 522 HB3 0.12 -0.04 -0.06 -0.04 1.64 1.62 1lzxB1 LEU 522 HG 0.08 0.05 0.00 -0.04 1.64 1.72 1lzxB1 LEU 522 HD13 0.26 -0.02 -0.09 -0.04 0.93 1.04 1lzxB1 LEU 522 HD23 0.01 0.01 -0.00 -0.04 0.89 0.86 1lzxB1 LEU 523 H 0.18 0.14 0.11 -0.55 8.37 8.25 1lzxB1 LEU 523 HA -0.07 0.27 0.70 -0.75 4.35 4.50 1lzxB1 LEU 523 HB2 0.40 0.02 0.01 -0.04 1.64 2.02 1lzxB1 LEU 523 HB3 0.14 -0.10 0.06 -0.04 1.64 1.69 1lzxB1 LEU 523 HG -0.16 0.03 -0.18 -0.04 1.64 1.28 1lzxB1 LEU 523 HD13 -0.08 0.01 -0.14 -0.04 0.93 0.67 1lzxB1 LEU 523 HD23 -0.37 0.03 -0.32 -0.04 0.89 0.18 1lzxB1 LEU 524 H 0.01 0.69 0.22 -0.55 8.37 8.75 1lzxB1 LEU 524 HA 0.00 0.23 1.17 -0.75 4.35 5.00 1lzxB1 LEU 524 HB2 0.11 -0.04 0.08 -0.04 1.64 1.75 1lzxB1 LEU 524 HB3 -0.06 0.01 -0.02 -0.04 1.64 1.54 1lzxB1 LEU 524 HG 0.15 -0.04 -0.37 -0.04 1.64 1.35 1lzxB1 LEU 524 HD13 -0.14 -0.01 -0.17 -0.04 0.93 0.57 1lzxB1 LEU 524 HD23 0.02 0.04 -0.15 -0.04 0.89 0.76 1lzxB1 GLN 525 H -0.00 0.77 0.35 -0.55 8.47 9.04 1lzxB1 GLN 525 HA -0.20 0.20 0.74 -0.75 4.36 4.35 1lzxB1 GLN 525 HB2 -0.01 -0.02 -0.08 -0.04 2.15 2.00 1lzxB1 GLN 525 HB3 0.19 -0.06 0.17 -0.04 2.02 2.28 1lzxB1 GLN 525 HG2 -0.10 -0.06 -0.39 -0.04 2.40 1.81 1lzxB1 GLN 525 HG3 -0.17 0.57 -0.15 -0.04 2.39 2.60 1lzxB1 GLN 525 HE21 0.06 -0.05 -0.21 -0.04 6.97 6.73 1lzxB1 GLN 525 HE22 -0.00 0.16 -0.21 -0.04 7.69 7.60 1lzxB1 ALA 526 H -0.20 0.25 0.05 -0.55 8.40 7.96 1lzxB1 ALA 526 HA -0.84 0.16 0.93 -0.75 4.34 3.83 1lzxB1 ALA 526 HB3 -0.17 0.00 -0.30 -0.04 1.41 0.90 1lzxB1 ASN 527 H -2.82 0.14 -0.02 -0.55 8.53 5.28 1lzxB1 ASN 527 HA -0.33 0.31 0.25 -0.75 4.76 4.24 1lzxB1 ASN 527 HB2 -0.15 0.01 -0.02 -0.04 2.88 2.68 1lzxB1 ASN 527 HB3 -0.13 0.05 -0.02 -0.04 2.79 2.66 1lzxB1 ASN 527 HD21 0.23 -0.04 0.07 -0.04 7.03 7.25 1lzxB1 ASN 527 HD22 0.08 -0.01 0.10 -0.04 7.74 7.86 1lzxB1 GLY 528 H -0.24 0.59 -0.60 -0.55 8.43 7.63 1lzxB1 GLY 528 HA2 -0.04 -0.01 0.08 -0.51 4.01 3.53 1lzxB1 GLY 528 HA3 -0.14 0.13 0.37 -0.51 4.01 3.86 1lzxB1 ASN 529 H -0.15 0.42 -0.44 -0.55 8.53 7.82 1lzxB1 ASN 529 HA -0.03 0.10 0.61 -0.75 4.76 4.68 1lzxB1 ASN 529 HB2 -0.10 -0.01 0.09 -0.04 2.88 2.83 1lzxB1 ASN 529 HB3 -0.05 -0.08 0.16 -0.04 2.79 2.78 1lzxB1 ASN 529 HD21 -0.02 -0.05 0.04 -0.04 7.03 6.96 1lzxB1 ASN 529 HD22 -0.08 0.01 0.05 -0.04 7.74 7.68 1lzxB1 ASP 530 H -0.02 0.04 0.17 -0.55 8.40 8.04 1lzxB1 ASP 530 HA -0.38 0.10 0.39 -0.75 4.63 3.98 1lzxB1 ASP 530 HB2 0.03 -0.04 0.13 -0.04 2.71 2.78 1lzxB1 ASP 530 HB3 0.03 0.11 0.07 -0.04 2.70 2.87 1lzxB1 PRO 531 HA -0.37 0.29 0.43 -0.51 4.44 4.28 1lzxB1 PRO 531 HB2 -0.84 -0.04 -0.24 -0.04 2.28 1.12 1lzxB1 PRO 531 HB3 -1.42 -0.02 -0.23 -0.04 2.02 0.30 1lzxB1 PRO 531 HG2 -0.67 0.04 -0.02 -0.04 2.03 1.33 1lzxB1 PRO 531 HG3 -2.63 0.01 -0.06 -0.04 2.03 -0.70 1lzxB1 PRO 531 HD2 -1.08 0.05 0.16 -0.04 3.68 2.77 1lzxB1 PRO 531 HD3 -1.04 0.16 0.08 -0.04 3.65 2.81 1lzxB1 GLU 532 H -0.18 0.45 0.34 -0.55 8.60 8.66 1lzxB1 GLU 532 HA -0.24 0.21 0.91 -0.75 4.29 4.42 1lzxB1 GLU 532 HB2 -0.06 -0.11 0.08 -0.04 2.09 1.96 1lzxB1 GLU 532 HB3 -0.50 0.04 0.04 -0.04 1.99 1.53 1lzxB1 GLU 532 HG2 -0.12 0.09 -0.05 -0.04 2.34 2.23 1lzxB1 GLU 532 HG3 -0.10 0.14 -0.21 -0.04 2.34 2.13 1lzxB1 LEU 533 H -0.39 0.18 0.15 -0.55 8.37 7.77 1lzxB1 LEU 533 HA -0.25 0.34 0.83 -0.75 4.35 4.52 1lzxB1 LEU 533 HB2 -0.24 0.01 0.07 -0.04 1.64 1.44 1lzxB1 LEU 533 HB3 -0.19 -0.02 -0.11 -0.04 1.64 1.28 1lzxB1 LEU 533 HG -0.17 -0.01 -0.11 -0.04 1.64 1.31 1lzxB1 LEU 533 HD13 -0.01 0.04 -0.24 -0.04 0.93 0.68 1lzxB1 LEU 533 HD23 -0.20 0.00 -0.14 -0.04 0.89 0.52 1lzxB1 PHE 534 H -0.11 0.60 0.33 -0.55 8.34 8.61 1lzxB1 PHE 534 HA -0.38 0.12 0.75 -0.75 4.62 4.35 1lzxB1 PHE 534 HB2 -0.38 -0.05 0.01 -0.04 3.15 2.69 1lzxB1 PHE 534 HB3 -1.63 0.04 -0.01 -0.04 3.06 1.41 1lzxB1 PHE 534 HD2 -0.50 0.04 -0.10 -0.04 7.28 6.68 1lzxB1 PHE 534 HE2 -0.74 -0.04 -0.10 -0.04 7.38 6.46 1lzxB1 PHE 534 HZ -0.64 -0.18 -0.29 -0.04 7.32 6.17 1lzxB1 GLN 535 H -0.12 0.18 0.13 -0.55 8.47 8.12 1lzxB1 GLN 535 HA 0.02 0.13 0.91 -0.75 4.36 4.66 1lzxB1 GLN 535 HB2 0.08 -0.01 0.02 -0.04 2.15 2.20 1lzxB1 GLN 535 HB3 0.06 -0.03 0.07 -0.04 2.02 2.08 1lzxB1 GLN 535 HG2 0.11 0.22 -0.24 -0.04 2.40 2.44 1lzxB1 GLN 535 HG3 0.13 0.03 0.01 -0.04 2.39 2.51 1lzxB1 GLN 535 HE21 0.10 -0.05 -0.00 -0.04 6.97 6.98 1lzxB1 GLN 535 HE22 0.11 0.07 -0.00 -0.04 7.69 7.84 1lzxB1 ILE 536 H 0.10 0.20 0.12 -0.55 8.25 8.12 1lzxB1 ILE 536 HA 0.34 0.09 0.47 -0.75 4.18 4.34 1lzxB1 ILE 536 HB 0.05 -0.00 0.01 -0.04 1.89 1.91 1lzxB1 ILE 536 HG12 0.14 -0.03 -0.06 -0.04 1.49 1.50 1lzxB1 ILE 536 HG13 0.10 -0.03 0.04 -0.04 1.21 1.27 1lzxB1 ILE 536 HG23 0.02 0.03 -0.18 -0.04 0.93 0.75 1lzxB1 ILE 536 HD13 -0.04 0.02 -0.07 -0.04 0.88 0.76 1lzxB1 PRO 537 HA 0.10 0.11 0.39 -0.51 4.44 4.53 1lzxB1 PRO 537 HB2 0.04 -0.06 0.10 -0.04 2.28 2.32 1lzxB1 PRO 537 HB3 0.06 0.03 0.09 -0.04 2.02 2.16 1lzxB1 PRO 537 HG2 0.03 0.03 0.08 -0.04 2.03 2.13 1lzxB1 PRO 537 HG3 0.17 0.07 0.10 -0.04 2.03 2.33 1lzxB1 PRO 537 HD2 0.03 0.07 0.16 -0.04 3.68 3.89 1lzxB1 PRO 537 HD3 0.29 0.19 0.26 -0.04 3.65 4.35 1lzxB1 PRO 538 HA 0.06 0.09 0.42 -0.51 4.44 4.50 1lzxB1 PRO 538 HB2 0.05 -0.02 0.07 -0.04 2.28 2.34 1lzxB1 PRO 538 HB3 0.06 0.05 0.10 -0.04 2.02 2.19 1lzxB1 PRO 538 HG2 0.07 0.01 0.09 -0.04 2.03 2.16 1lzxB1 PRO 538 HG3 0.08 0.09 0.12 -0.04 2.03 2.28 1lzxB1 PRO 538 HD2 0.07 0.03 0.20 -0.04 3.68 3.93 1lzxB1 PRO 538 HD3 0.09 0.19 0.17 -0.04 3.65 4.05 1lzxB1 GLU 539 H 0.04 0.06 -0.32 -0.55 8.60 7.84 1lzxB1 GLU 539 HA 0.03 0.12 0.33 -0.75 4.29 4.01 1lzxB1 GLU 539 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 1lzxB1 GLU 539 HB3 0.03 -0.02 0.05 -0.04 1.99 2.00 1lzxB1 GLU 539 HG2 0.02 0.05 -0.19 -0.04 2.34 2.19 1lzxB1 GLU 539 HG3 0.02 0.01 -0.06 -0.04 2.34 2.27 1lzxB1 LEU 540 H 0.03 0.59 -0.48 -0.55 8.37 7.97 1lzxB1 LEU 540 HA 0.01 0.12 0.64 -0.75 4.35 4.38 1lzxB1 LEU 540 HB2 0.01 0.16 0.03 -0.04 1.64 1.80 1lzxB1 LEU 540 HB3 0.00 -0.05 -0.04 -0.04 1.64 1.52 1lzxB1 LEU 540 HG -0.00 -0.01 0.00 -0.04 1.64 1.59 1lzxB1 LEU 540 HD13 0.01 0.01 -0.23 -0.04 0.93 0.68 1lzxB1 LEU 540 HD23 -0.04 -0.01 0.02 -0.04 0.89 0.82 1lzxB1 VAL 541 H 0.03 0.43 -0.26 -0.55 8.24 7.89 1lzxB1 VAL 541 HA 0.01 0.07 0.75 -0.75 4.13 4.21 1lzxB1 VAL 541 HB 0.03 0.09 0.16 -0.04 2.12 2.36 1lzxB1 VAL 541 HG13 -0.00 -0.03 -0.21 -0.04 0.97 0.69 1lzxB1 VAL 541 HG23 -0.00 0.01 -0.15 -0.04 0.95 0.77 1lzxB1 LEU 542 H 0.04 0.18 0.11 -0.55 8.37 8.15 1lzxB1 LEU 542 HA 0.02 0.14 0.55 -0.75 4.35 4.30 1lzxB1 LEU 542 HB2 0.02 0.04 0.01 -0.04 1.64 1.68 1lzxB1 LEU 542 HB3 0.05 -0.12 0.13 -0.04 1.64 1.67 1lzxB1 LEU 542 HG -0.03 -0.02 -0.26 -0.04 1.64 1.29 1lzxB1 LEU 542 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.86 1lzxB1 LEU 542 HD23 0.00 0.00 -0.10 -0.04 0.89 0.75 1lzxB1 GLU 543 H 0.00 0.27 0.22 -0.55 8.60 8.55 1lzxB1 GLU 543 HA 0.05 0.11 0.95 -0.75 4.29 4.65 1lzxB1 GLU 543 HB2 0.04 0.02 -0.04 -0.04 2.09 2.07 1lzxB1 GLU 543 HB3 0.06 -0.02 -0.13 -0.04 1.99 1.85 1lzxB1 GLU 543 HG2 0.15 -0.07 -0.28 -0.04 2.34 2.09 1lzxB1 GLU 543 HG3 0.08 0.06 -0.51 -0.04 2.34 1.93 1lzxB1 VAL 544 H -0.02 0.65 0.25 -0.55 8.24 8.57 1lzxB1 VAL 544 HA -0.14 0.28 0.98 -0.75 4.13 4.49 1lzxB1 VAL 544 HB -0.47 -0.10 -0.00 -0.04 2.12 1.51 1lzxB1 VAL 544 HG13 -0.28 0.03 -0.30 -0.04 0.97 0.38 1lzxB1 VAL 544 HG23 -0.79 0.01 -0.26 -0.04 0.95 -0.14 1lzxB1 PRO 545 HA -0.01 0.10 0.59 -0.51 4.44 4.62 1lzxB1 PRO 545 HB2 0.01 -0.01 -0.02 -0.04 2.28 2.21 1lzxB1 PRO 545 HB3 0.00 0.04 0.04 -0.04 2.02 2.07 1lzxB1 PRO 545 HG2 -0.02 0.03 0.04 -0.04 2.03 2.05 1lzxB1 PRO 545 HG3 -0.02 0.02 -0.01 -0.04 2.03 1.98 1lzxB1 PRO 545 HD2 -0.06 0.11 0.19 -0.04 3.68 3.89 1lzxB1 PRO 545 HD3 -0.06 0.24 0.19 -0.04 3.65 3.98 1lzxB1 ILE 546 H 0.08 0.78 0.28 -0.55 8.25 8.84 1lzxB1 ILE 546 HA 0.14 0.17 0.82 -0.75 4.18 4.55 1lzxB1 ILE 546 HB 0.27 -0.04 -0.07 -0.04 1.89 2.01 1lzxB1 ILE 546 HG12 0.21 0.02 -0.31 -0.04 1.49 1.37 1lzxB1 ILE 546 HG13 0.44 -0.07 -0.25 -0.04 1.21 1.29 1lzxB1 ILE 546 HG23 0.31 -0.01 -0.30 -0.04 0.93 0.89 1lzxB1 ILE 546 HD13 0.28 0.01 -0.28 -0.04 0.88 0.85 1lzxB1 ARG 547 H 0.11 0.31 0.18 -0.55 8.46 8.51 1lzxB1 ARG 547 HA 0.31 0.07 0.60 -0.75 4.34 4.57 1lzxB1 ARG 547 HB2 0.12 -0.05 0.06 -0.04 1.90 1.99 1lzxB1 ARG 547 HB3 0.12 0.06 -0.15 -0.04 1.80 1.78 1lzxB1 ARG 547 HG2 0.20 -0.03 -0.25 -0.04 1.67 1.55 1lzxB1 ARG 547 HG3 0.12 0.01 -0.13 -0.04 1.67 1.63 1lzxB1 ARG 547 HD2 0.04 -0.00 -0.18 -0.04 3.22 3.04 1lzxB1 ARG 547 HD3 0.04 0.05 -0.03 -0.04 3.22 3.25 1lzxB1 HIS 548 H 0.06 0.16 0.14 -0.55 8.41 8.23 1lzxB1 HIS 548 HA -0.37 0.25 0.91 -0.75 4.63 4.67 1lzxB1 HIS 548 HB2 -0.79 0.03 0.05 -0.04 3.26 2.52 1lzxB1 HIS 548 HB3 -0.32 0.04 0.21 -0.04 3.20 3.09 1lzxB1 HIS 548 HD2 -0.54 0.14 0.00 -0.04 6.97 6.53 1lzxB1 HIS 548 HE1 -0.72 0.07 -0.00 -0.04 7.75 7.06 1lzxB1 PRO 549 HA -0.62 0.16 0.40 -0.51 4.44 3.87 1lzxB1 PRO 549 HB2 -0.59 0.04 0.01 -0.04 2.28 1.70 1lzxB1 PRO 549 HB3 -1.82 0.07 0.08 -0.04 2.02 0.31 1lzxB1 PRO 549 HG2 -0.74 -0.03 0.03 -0.04 2.03 1.26 1lzxB1 PRO 549 HG3 -0.73 0.07 0.03 -0.04 2.03 1.35 1lzxB1 PRO 549 HD2 -1.87 0.03 0.18 -0.04 3.68 1.98 1lzxB1 PRO 549 HD3 -0.89 0.24 0.13 -0.04 3.65 3.08 1lzxB1 LYS 550 H 0.33 -0.11 -0.28 -0.55 8.42 7.81 1lzxB1 LYS 550 HA -0.08 0.29 0.93 -0.75 4.32 4.71 1lzxB1 LYS 550 HB2 -0.43 -0.05 -0.01 -0.04 1.87 1.33 1lzxB1 LYS 550 HB3 -0.12 0.02 0.03 -0.04 1.79 1.69 1lzxB1 LYS 550 HG2 -0.11 0.11 -0.09 -0.04 1.46 1.32 1lzxB1 LYS 550 HG3 -0.20 -0.08 -0.33 -0.04 1.46 0.81 1lzxB1 LYS 550 HD2 -0.15 -0.03 -0.04 -0.04 1.69 1.43 1lzxB1 LYS 550 HD3 -0.07 0.01 -0.02 -0.04 1.68 1.56 1lzxB1 LYS 550 HE2 -0.06 -0.01 -0.02 -0.04 2.99 2.86 1lzxB1 LYS 550 HE3 -0.07 0.03 -0.03 -0.04 2.99 2.88 1lzxB1 PHE 551 H -0.17 -0.05 -0.08 -0.55 8.34 7.48 1lzxB1 PHE 551 HA -0.33 0.22 0.86 -0.75 4.62 4.62 1lzxB1 PHE 551 HB2 -0.96 -0.05 0.21 -0.04 3.15 2.30 1lzxB1 PHE 551 HB3 -2.06 -0.03 0.07 -0.04 3.06 1.00 1lzxB1 PHE 551 HD2 -0.40 0.07 -0.17 -0.04 7.28 6.74 1lzxB1 PHE 551 HE2 0.00 0.03 -0.05 -0.04 7.38 7.32 1lzxB1 PHE 551 HZ 0.03 0.04 -0.03 -0.04 7.32 7.32 1lzxB1 ASP 552 H 0.02 0.32 0.09 -0.55 8.40 8.28 1lzxB1 ASP 552 HA 0.01 0.14 0.42 -0.75 4.63 4.45 1lzxB1 ASP 552 HB2 0.05 0.08 0.05 -0.04 2.71 2.85 1lzxB1 ASP 552 HB3 0.10 0.01 0.07 -0.04 2.70 2.84 1lzxB1 TRP 553 H -0.33 0.05 -0.34 -0.55 7.97 6.81 1lzxB1 TRP 553 HA 0.05 0.18 0.61 -0.75 4.62 4.71 1lzxB1 TRP 553 HB2 -0.01 0.06 0.04 -0.04 3.23 3.28 1lzxB1 TRP 553 HB3 0.01 0.04 0.04 -0.04 3.23 3.27 1lzxB1 TRP 553 HD1 -0.04 0.01 0.02 -0.04 7.22 7.16 1lzxB1 TRP 553 HE1 -0.55 0.06 -0.03 -0.04 10.20 9.63 1lzxB1 TRP 553 HE3 -0.05 0.01 -0.55 -0.04 7.59 6.96 1lzxB1 TRP 553 HZ2 -0.81 0.02 -0.14 -0.04 7.44 6.47 1lzxB1 TRP 553 HZ3 -0.12 0.01 -0.06 -0.04 7.13 6.92 1lzxB1 TRP 553 HH2 0.07 0.04 -0.03 -0.04 7.19 7.22 1lzxB1 PHE 554 H -0.47 0.29 -0.28 -0.55 8.34 7.33 1lzxB1 PHE 554 HA -0.05 0.08 0.32 -0.75 4.62 4.21 1lzxB1 PHE 554 HB2 -0.61 -0.01 0.16 -0.04 3.15 2.65 1lzxB1 PHE 554 HB3 -0.13 -0.14 0.12 -0.04 3.06 2.87 1lzxB1 PHE 554 HD2 -0.16 0.07 -0.26 -0.04 7.28 6.89 1lzxB1 PHE 554 HE2 0.11 0.00 -0.17 -0.04 7.38 7.28 1lzxB1 PHE 554 HZ 0.08 -0.01 -0.05 -0.04 7.32 7.31 1lzxB1 LYS 555 H 0.14 0.15 -0.20 -0.55 8.42 7.96 1lzxB1 LYS 555 HA 0.16 0.33 0.49 -0.75 4.32 4.55 1lzxB1 LYS 555 HB2 0.09 0.04 0.04 -0.04 1.87 2.00 1lzxB1 LYS 555 HB3 0.11 -0.06 0.11 -0.04 1.79 1.91 1lzxB1 LYS 555 HG2 0.10 0.15 0.04 -0.04 1.46 1.70 1lzxB1 LYS 555 HG3 0.08 0.01 -0.30 -0.04 1.46 1.20 1lzxB1 LYS 555 HD2 0.06 -0.01 -0.03 -0.04 1.69 1.67 1lzxB1 LYS 555 HD3 0.07 -0.02 0.03 -0.04 1.68 1.72 1lzxB1 LYS 555 HE2 0.06 -0.02 -0.04 -0.04 2.99 2.95 1lzxB1 LYS 555 HE3 0.05 -0.03 -0.01 -0.04 2.99 2.97 1lzxB1 ASP 556 H 0.13 0.21 -0.53 -0.55 8.40 7.67 1lzxB1 ASP 556 HA 0.07 0.07 0.46 -0.75 4.63 4.48 1lzxB1 ASP 556 HB2 0.17 0.17 0.11 -0.04 2.71 3.12 1lzxB1 ASP 556 HB3 0.08 -0.03 0.15 -0.04 2.70 2.86 1lzxB1 LEU 557 H 0.01 0.55 -0.50 -0.55 8.37 7.89 1lzxB1 LEU 557 HA 0.01 0.04 0.51 -0.75 4.35 4.16 1lzxB1 LEU 557 HB2 -0.27 0.20 0.14 -0.04 1.64 1.67 1lzxB1 LEU 557 HB3 -0.15 -0.07 0.05 -0.04 1.64 1.43 1lzxB1 LEU 557 HG 0.03 0.04 0.02 -0.04 1.64 1.69 1lzxB1 LEU 557 HD13 -0.74 -0.03 -0.00 -0.04 0.93 0.12 1lzxB1 LEU 557 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 1lzxB1 GLY 558 H 0.03 0.39 -0.27 -0.55 8.43 8.03 1lzxB1 GLY 558 HA2 0.03 0.05 0.27 -0.51 4.01 3.86 1lzxB1 GLY 558 HA3 0.07 0.03 0.37 -0.51 4.01 3.98 1lzxB1 LEU 559 H -0.02 0.10 -0.11 -0.55 8.37 7.80 1lzxB1 LEU 559 HA -0.14 0.18 0.75 -0.75 4.35 4.39 1lzxB1 LEU 559 HB2 -0.00 -0.01 0.00 -0.04 1.64 1.59 1lzxB1 LEU 559 HB3 -0.18 -0.01 0.01 -0.04 1.64 1.41 1lzxB1 LEU 559 HG -0.14 -0.02 -0.19 -0.04 1.64 1.25 1lzxB1 LEU 559 HD13 -0.43 -0.02 -0.06 -0.04 0.93 0.37 1lzxB1 LEU 559 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.74 1lzxB1 LYS 560 H -0.48 0.37 0.25 -0.55 8.42 8.01 1lzxB1 LYS 560 HA 0.06 0.19 0.62 -0.75 4.32 4.44 1lzxB1 LYS 560 HB2 -0.06 0.03 -0.17 -0.04 1.87 1.63 1lzxB1 LYS 560 HB3 -0.15 0.05 -0.22 -0.04 1.79 1.43 1lzxB1 LYS 560 HG2 -0.93 -0.00 -0.13 -0.04 1.46 0.35 1lzxB1 LYS 560 HG3 -0.37 -0.03 -0.38 -0.04 1.46 0.64 1lzxB1 LYS 560 HD2 -0.04 -0.00 -0.20 -0.04 1.69 1.41 1lzxB1 LYS 560 HD3 -0.11 0.02 -0.16 -0.04 1.68 1.38 1lzxB1 LYS 560 HE2 -0.10 -0.03 -0.08 -0.04 2.99 2.74 1lzxB1 LYS 560 HE3 -0.01 -0.00 -0.11 -0.04 2.99 2.83 1lzxB1 TRP 561 H 0.21 0.53 0.26 -0.55 7.97 8.42 1lzxB1 TRP 561 HA 0.34 0.10 0.61 -0.75 4.62 4.92 1lzxB1 TRP 561 HB2 0.01 -0.03 -0.26 -0.04 3.23 2.91 1lzxB1 TRP 561 HB3 0.05 0.06 -0.09 -0.04 3.23 3.21 1lzxB1 TRP 561 HD1 -0.66 0.30 -0.02 -0.04 7.22 6.80 1lzxB1 TRP 561 HE1 -0.68 -0.01 -0.04 -0.04 10.20 9.43 1lzxB1 TRP 561 HE3 0.25 0.24 0.14 -0.04 7.59 8.17 1lzxB1 TRP 561 HZ2 0.15 -0.01 0.03 -0.04 7.44 7.57 1lzxB1 TRP 561 HZ3 -0.13 0.05 0.03 -0.04 7.13 7.04 1lzxB1 TRP 561 HH2 0.37 -0.01 0.05 -0.04 7.19 7.56 1lzxB1 TYR 562 H -0.94 0.08 0.09 -0.55 8.29 6.98 1lzxB1 TYR 562 HA 0.01 0.21 0.73 -0.75 4.56 4.76 1lzxB1 TYR 562 HB2 -0.08 0.02 0.04 -0.04 3.06 3.00 1lzxB1 TYR 562 HB3 -0.28 -0.00 -0.03 -0.04 2.98 2.62 1lzxB1 TYR 562 HD2 -0.67 0.00 -0.20 -0.04 7.15 6.24 1lzxB1 TYR 562 HE2 -0.48 -0.09 -0.04 -0.04 6.85 6.20 1lzxB1 GLY 563 H 0.20 0.61 0.23 -0.55 8.43 8.92 1lzxB1 GLY 563 HA2 0.59 0.09 0.53 -0.51 4.01 4.71 1lzxB1 GLY 563 HA3 0.22 0.07 0.26 -0.51 4.01 4.05 1lzxB1 LEU 564 H 0.34 0.06 -0.09 -0.55 8.37 8.13 1lzxB1 LEU 564 HA 0.22 0.33 0.90 -0.75 4.35 5.04 1lzxB1 LEU 564 HB2 0.15 0.04 -0.03 -0.04 1.64 1.75 1lzxB1 LEU 564 HB3 0.12 -0.08 0.11 -0.04 1.64 1.75 1lzxB1 LEU 564 HG 0.06 -0.08 -0.49 -0.04 1.64 1.09 1lzxB1 LEU 564 HD13 0.15 0.05 -0.16 -0.04 0.93 0.92 1lzxB1 LEU 564 HD23 0.07 0.00 -0.09 -0.04 0.89 0.83 1lzxB1 PRO 565 HA 0.08 0.05 0.54 -0.51 4.44 4.60 1lzxB1 PRO 565 HB2 -0.41 -0.00 -0.02 -0.04 2.28 1.80 1lzxB1 PRO 565 HB3 -1.62 0.01 -0.03 -0.04 2.02 0.34 1lzxB1 PRO 565 HG2 -0.22 -0.12 -0.07 -0.04 2.03 1.59 1lzxB1 PRO 565 HG3 -0.52 -0.05 -0.31 -0.04 2.03 1.11 1lzxB1 PRO 565 HD2 0.06 0.28 0.13 -0.04 3.68 4.11 1lzxB1 PRO 565 HD3 -0.02 0.30 0.08 -0.04 3.65 3.97 1lzxB1 ALA 566 H -0.06 0.14 0.11 -0.55 8.40 8.04 1lzxB1 ALA 566 HA -0.24 0.47 1.16 -0.75 4.34 4.98 1lzxB1 ALA 566 HB3 -0.18 -0.03 -0.10 -0.04 1.41 1.06 1lzxB1 VAL 567 H -0.55 0.21 0.12 -0.55 8.24 7.48 1lzxB1 VAL 567 HA -0.28 0.11 0.59 -0.75 4.13 3.79 1lzxB1 VAL 567 HB -1.69 0.05 0.18 -0.04 2.12 0.62 1lzxB1 VAL 567 HG13 -0.23 -0.01 -0.07 -0.04 0.97 0.63 1lzxB1 VAL 567 HG23 -0.15 -0.00 0.03 -0.04 0.95 0.79 1lzxB1 SER 568 H -0.19 0.79 0.35 -0.55 8.46 8.86 1lzxB1 SER 568 HA -0.16 0.11 0.91 -0.75 4.49 4.60 1lzxB1 SER 568 HB2 -0.04 -0.05 0.10 -0.04 3.95 3.92 1lzxB1 SER 568 HB3 -0.14 -0.05 -0.15 -0.04 3.93 3.55 1lzxB1 ASN 569 H -0.09 0.03 0.13 -0.55 8.53 8.06 1lzxB1 ASN 569 HA -0.02 0.35 1.06 -0.75 4.76 5.39 1lzxB1 ASN 569 HB2 -0.07 0.00 0.19 -0.04 2.88 2.96 1lzxB1 ASN 569 HB3 -0.06 0.12 0.03 -0.04 2.79 2.84 1lzxB1 ASN 569 HD21 0.01 -0.05 0.03 -0.04 7.03 6.98 1lzxB1 ASN 569 HD22 -0.03 0.00 0.05 -0.04 7.74 7.72 1lzxB1 MET 570 H 0.04 -0.00 -0.16 -0.55 8.47 7.80 1lzxB1 MET 570 HA 0.11 0.23 0.89 -0.75 4.52 4.99 1lzxB1 MET 570 HB2 0.25 -0.02 -0.08 -0.04 2.15 2.26 1lzxB1 MET 570 HB3 0.19 0.07 0.03 -0.04 2.03 2.28 1lzxB1 MET 570 HG2 0.19 0.05 -0.15 -0.04 2.63 2.68 1lzxB1 MET 570 HG3 0.09 -0.16 -0.12 -0.04 2.56 2.33 1lzxB1 MET 570 HE3 -0.24 0.03 -0.33 -0.04 2.10 1.52 1lzxB1 LEU 571 H 0.12 0.75 0.27 -0.55 8.37 8.96 1lzxB1 LEU 571 HA 0.13 0.28 0.82 -0.75 4.35 4.82 1lzxB1 LEU 571 HB2 0.05 0.05 -0.18 -0.04 1.64 1.52 1lzxB1 LEU 571 HB3 0.04 -0.01 -0.05 -0.04 1.64 1.58 1lzxB1 LEU 571 HG 0.01 -0.05 -0.39 -0.04 1.64 1.18 1lzxB1 LEU 571 HD13 0.05 0.02 -0.45 -0.04 0.93 0.50 1lzxB1 LEU 571 HD23 -0.00 0.00 -0.15 -0.04 0.89 0.70 1lzxB1 LEU 572 H 0.16 0.60 0.16 -0.55 8.37 8.74 1lzxB1 LEU 572 HA -0.18 0.24 0.89 -0.75 4.35 4.55 1lzxB1 LEU 572 HB2 0.08 0.04 -0.05 -0.04 1.64 1.67 1lzxB1 LEU 572 HB3 0.13 0.03 0.15 -0.04 1.64 1.90 1lzxB1 LEU 572 HG -0.07 -0.08 -0.39 -0.04 1.64 1.05 1lzxB1 LEU 572 HD13 -0.66 0.03 -0.19 -0.04 0.93 0.07 1lzxB1 LEU 572 HD23 -0.22 -0.01 -0.12 -0.04 0.89 0.50 1lzxB1 GLU 573 H -0.16 0.78 0.32 -0.55 8.60 9.00 1lzxB1 GLU 573 HA -0.02 0.38 1.12 -0.75 4.29 5.01 1lzxB1 GLU 573 HB2 -0.05 0.03 -0.11 -0.04 2.09 1.91 1lzxB1 GLU 573 HB3 -0.08 -0.04 0.12 -0.04 1.99 1.94 1lzxB1 GLU 573 HG2 -0.08 -0.20 -0.40 -0.04 2.34 1.63 1lzxB1 GLU 573 HG3 -0.07 0.14 -0.29 -0.04 2.34 2.09 1lzxB1 ILE 574 H -0.04 0.64 0.16 -0.55 8.25 8.45 1lzxB1 ILE 574 HA -0.27 0.13 0.90 -0.75 4.18 4.18 1lzxB1 ILE 574 HB 0.01 -0.00 0.03 -0.04 1.89 1.88 1lzxB1 ILE 574 HG12 -0.19 0.08 -0.18 -0.04 1.49 1.16 1lzxB1 ILE 574 HG13 -0.10 -0.03 -0.62 -0.04 1.21 0.41 1lzxB1 ILE 574 HG23 -0.78 0.00 -0.15 -0.04 0.93 -0.03 1lzxB1 ILE 574 HD13 -0.23 0.00 -0.15 -0.04 0.88 0.47 1lzxB1 GLY 575 H -0.36 0.21 0.08 -0.55 8.43 7.82 1lzxB1 GLY 575 HA2 0.01 0.20 0.27 -0.51 4.01 3.99 1lzxB1 GLY 575 HA3 -0.12 0.02 0.34 -0.51 4.01 3.74 1lzxB1 GLY 576 H -0.07 0.05 -0.43 -0.55 8.43 7.44 1lzxB1 GLY 576 HA2 -0.02 0.00 0.21 -0.51 4.01 3.69 1lzxB1 GLY 576 HA3 0.02 0.16 0.51 -0.51 4.01 4.19 1lzxB1 LEU 577 H -0.14 0.52 -0.53 -0.55 8.37 7.68 1lzxB1 LEU 577 HA -0.24 0.11 0.58 -0.75 4.35 4.04 1lzxB1 LEU 577 HB2 -0.27 0.02 0.09 -0.04 1.64 1.45 1lzxB1 LEU 577 HB3 -0.61 -0.04 0.03 -0.04 1.64 0.97 1lzxB1 LEU 577 HG -0.44 0.10 -0.04 -0.04 1.64 1.22 1lzxB1 LEU 577 HD13 -0.62 -0.03 -0.04 -0.04 0.93 0.20 1lzxB1 LEU 577 HD23 -0.44 -0.00 -0.02 -0.04 0.89 0.38 1lzxB1 GLU 578 H -0.31 0.20 0.20 -0.55 8.60 8.15 1lzxB1 GLU 578 HA -0.13 0.27 0.99 -0.75 4.29 4.67 1lzxB1 GLU 578 HB2 -0.12 -0.07 0.16 -0.04 2.09 2.02 1lzxB1 GLU 578 HB3 -0.06 0.03 -0.09 -0.04 1.99 1.83 1lzxB1 GLU 578 HG2 -0.07 0.02 -0.28 -0.04 2.34 1.97 1lzxB1 GLU 578 HG3 -0.10 0.08 -0.10 -0.04 2.34 2.18 1lzxB1 PHE 579 H 0.10 0.81 0.20 -0.55 8.34 8.90 1lzxB1 PHE 579 HA -0.01 0.10 0.85 -0.75 4.62 4.80 1lzxB1 PHE 579 HB2 -0.03 0.02 0.21 -0.04 3.15 3.31 1lzxB1 PHE 579 HB3 -0.01 0.09 0.00 -0.04 3.06 3.10 1lzxB1 PHE 579 HD2 -0.10 0.31 -0.09 -0.04 7.28 7.36 1lzxB1 PHE 579 HE2 -0.15 -0.04 -0.07 -0.04 7.38 7.07 1lzxB1 PHE 579 HZ -0.16 -0.07 -0.05 -0.04 7.32 7.00 1lzxB1 SER 580 H 0.08 0.19 0.04 -0.55 8.46 8.22 1lzxB1 SER 580 HA 0.09 0.07 0.40 -0.75 4.49 4.29 1lzxB1 SER 580 HB2 0.05 0.05 0.06 -0.04 3.95 4.08 1lzxB1 SER 580 HB3 0.04 -0.07 0.03 -0.04 3.93 3.89 1lzxB1 ALA 581 H 0.22 0.10 -0.36 -0.55 8.40 7.82 1lzxB1 ALA 581 HA 0.18 0.20 0.79 -0.75 4.34 4.75 1lzxB1 ALA 581 HB3 0.29 -0.01 -0.21 -0.04 1.41 1.44 1lzxB1 CYS 582 H 0.17 0.25 -0.10 -0.55 8.50 8.27 1lzxB1 CYS 582 HA 0.10 0.35 0.85 -0.75 4.58 5.13 1lzxB1 CYS 582 HB2 0.20 -0.04 0.04 -0.04 2.97 3.12 1lzxB1 CYS 582 HB3 0.16 -0.01 -0.21 -0.04 2.97 2.87 1lzxB1 PRO 583 HA -0.15 0.29 0.65 -0.51 4.44 4.72 1lzxB1 PRO 583 HB2 -0.18 0.00 -0.08 -0.04 2.28 1.99 1lzxB1 PRO 583 HB3 -0.06 -0.01 0.09 -0.04 2.02 2.00 1lzxB1 PRO 583 HG2 0.08 -0.06 0.10 -0.04 2.03 2.11 1lzxB1 PRO 583 HG3 0.17 -0.02 0.01 -0.04 2.03 2.15 1lzxB1 PRO 583 HD2 0.20 0.26 -0.00 -0.04 3.68 4.10 1lzxB1 PRO 583 HD3 0.22 0.05 0.05 -0.04 3.65 3.93 1lzxB1 PHE 584 H -0.62 0.55 0.34 -0.55 8.34 8.06 1lzxB1 PHE 584 HA 0.08 0.26 1.11 -0.75 4.62 5.31 1lzxB1 PHE 584 HB2 -0.30 0.01 0.06 -0.04 3.15 2.88 1lzxB1 PHE 584 HB3 -0.15 0.04 -0.07 -0.04 3.06 2.83 1lzxB1 PHE 584 HD2 -0.40 0.14 -0.17 -0.04 7.28 6.81 1lzxB1 PHE 584 HE2 -0.46 -0.05 -0.08 -0.04 7.38 6.74 1lzxB1 PHE 584 HZ -0.38 -0.04 -0.05 -0.04 7.32 6.80 1lzxB1 SER 585 H 0.12 0.71 0.42 -0.55 8.46 9.16 1lzxB1 SER 585 HA -0.08 0.15 0.91 -0.75 4.49 4.73 1lzxB1 SER 585 HB2 0.05 0.08 -0.07 -0.04 3.95 3.97 1lzxB1 SER 585 HB3 0.01 -0.11 -0.24 -0.04 3.93 3.56 1lzxB1 GLY 586 H -0.11 0.21 0.03 -0.55 8.43 8.01 1lzxB1 GLY 586 HA2 -0.16 0.14 0.68 -0.51 4.01 4.16 1lzxB1 GLY 586 HA3 -0.40 -0.05 0.38 -0.51 4.01 3.42 1lzxB1 TRP 587 H -0.47 0.22 0.18 -0.55 7.97 7.36 1lzxB1 TRP 587 HA 0.03 0.23 0.67 -0.75 4.62 4.79 1lzxB1 TRP 587 HB2 0.11 0.12 -0.04 -0.04 3.23 3.37 1lzxB1 TRP 587 HB3 0.08 0.13 -0.11 -0.04 3.23 3.29 1lzxB1 TRP 587 HD1 0.07 0.07 -0.35 -0.04 7.22 6.97 1lzxB1 TRP 587 HE1 0.07 -0.07 -0.11 -0.04 10.20 10.05 1lzxB1 TRP 587 HE3 0.07 0.09 -0.43 -0.04 7.59 7.27 1lzxB1 TRP 587 HZ2 0.08 -0.05 -0.04 -0.04 7.44 7.39 1lzxB1 TRP 587 HZ3 0.08 0.02 -0.04 -0.04 7.13 7.15 1lzxB1 TRP 587 HH2 0.08 0.01 0.00 -0.04 7.19 7.24 1lzxB1 TYR 588 H 0.41 0.34 0.17 -0.55 8.29 8.66 1lzxB1 TYR 588 HA 0.06 0.05 0.54 -0.75 4.56 4.46 1lzxB1 TYR 588 HB2 -0.04 0.14 0.13 -0.04 3.06 3.25 1lzxB1 TYR 588 HB3 -0.14 -0.05 -0.18 -0.04 2.98 2.57 1lzxB1 TYR 588 HD2 0.08 0.08 0.02 -0.04 7.15 7.29 1lzxB1 TYR 588 HE2 0.07 0.03 -0.23 -0.04 6.85 6.68 1lzxB1 MET 589 H 0.18 0.17 0.26 -0.55 8.47 8.53 1lzxB1 MET 589 HA 0.12 0.31 0.88 -0.75 4.52 5.07 1lzxB1 MET 589 HB2 0.07 0.11 0.09 -0.04 2.15 2.38 1lzxB1 MET 589 HB3 0.04 -0.06 0.17 -0.04 2.03 2.14 1lzxB1 MET 589 HG2 0.01 -0.29 -0.08 -0.04 2.63 2.24 1lzxB1 MET 589 HG3 0.07 0.11 -0.12 -0.04 2.56 2.57 1lzxB1 MET 589 HE3 -0.05 0.01 0.02 -0.04 2.10 2.04 1lzxB1 GLY 590 H -0.01 0.63 0.27 -0.55 8.43 8.78 1lzxB1 GLY 590 HA2 -0.25 0.13 0.30 -0.51 4.01 3.68 1lzxB1 GLY 590 HA3 -0.10 0.04 0.36 -0.51 4.01 3.80 1lzxB1 THR 591 H -0.08 0.11 -0.09 -0.55 8.28 7.66 1lzxB1 THR 591 HA -0.19 -0.00 0.38 -0.75 4.39 3.83 1lzxB1 THR 591 HB -0.22 0.04 0.05 -0.04 4.32 4.14 1lzxB1 THR 591 HG23 -0.43 -0.00 0.05 -0.04 1.22 0.79 1lzxB1 GLU 592 H -0.11 0.43 -0.29 -0.55 8.60 8.09 1lzxB1 GLU 592 HA -0.12 0.06 0.43 -0.75 4.29 3.90 1lzxB1 GLU 592 HB2 0.09 0.08 0.14 -0.04 2.09 2.36 1lzxB1 GLU 592 HB3 0.11 0.03 0.07 -0.04 1.99 2.15 1lzxB1 GLU 592 HG2 0.01 0.05 0.08 -0.04 2.34 2.43 1lzxB1 GLU 592 HG3 0.03 -0.04 0.16 -0.04 2.34 2.45 1lzxB1 ILE 593 H -0.43 0.34 -0.13 -0.55 8.25 7.48 1lzxB1 ILE 593 HA -0.97 0.09 0.67 -0.75 4.18 3.20 1lzxB1 ILE 593 HB -0.73 0.03 0.14 -0.04 1.89 1.29 1lzxB1 ILE 593 HG12 -1.62 0.02 -0.04 -0.04 1.49 -0.20 1lzxB1 ILE 593 HG13 -1.08 -0.08 -0.01 -0.04 1.21 -0.00 1lzxB1 ILE 593 HG23 -1.55 0.01 -0.18 -0.04 0.93 -0.82 1lzxB1 ILE 593 HD13 -1.04 0.03 -0.06 -0.04 0.88 -0.22 1lzxB1 GLY 594 H -0.37 0.49 0.12 -0.55 8.43 8.13 1lzxB1 GLY 594 HA2 -0.08 0.09 0.25 -0.51 4.01 3.77 1lzxB1 GLY 594 HA3 -0.12 0.00 0.19 -0.51 4.01 3.57 1lzxB1 VAL 595 H -0.19 0.37 -0.16 -0.55 8.24 7.71 1lzxB1 VAL 595 HA -0.06 0.15 0.76 -0.75 4.13 4.23 1lzxB1 VAL 595 HB -0.16 0.15 0.17 -0.04 2.12 2.24 1lzxB1 VAL 595 HG13 -0.11 0.00 -0.17 -0.04 0.97 0.65 1lzxB1 VAL 595 HG23 -0.16 -0.05 -0.09 -0.04 0.95 0.61 1lzxB1 ARG 596 H -0.16 0.41 0.06 -0.55 8.46 8.22 1lzxB1 ARG 596 HA -0.07 0.05 0.46 -0.75 4.34 4.02 1lzxB1 ARG 596 HB2 -0.13 0.25 0.29 -0.04 1.90 2.27 1lzxB1 ARG 596 HB3 -0.08 -0.01 0.06 -0.04 1.80 1.73 1lzxB1 ARG 596 HG2 -0.15 -0.01 0.08 -0.04 1.67 1.54 1lzxB1 ARG 596 HG3 -0.16 0.05 0.06 -0.04 1.67 1.58 1lzxB1 ARG 596 HD2 -0.11 -0.07 -0.12 -0.04 3.22 2.87 1lzxB1 ARG 596 HD3 -0.16 0.06 0.01 -0.04 3.22 3.09 1lzxB1 ASP 597 H -0.28 0.52 0.22 -0.55 8.40 8.31 1lzxB1 ASP 597 HA 0.01 0.02 0.47 -0.75 4.63 4.38 1lzxB1 ASP 597 HB2 -1.10 0.06 0.23 -0.04 2.71 1.85 1lzxB1 ASP 597 HB3 -0.57 -0.03 0.13 -0.04 2.70 2.19 1lzxB1 TYR 598 H -0.18 0.39 -0.26 -0.55 8.29 7.69 1lzxB1 TYR 598 HA 0.03 0.12 0.77 -0.75 4.56 4.73 1lzxB1 TYR 598 HB2 -0.11 0.14 0.04 -0.04 3.06 3.09 1lzxB1 TYR 598 HB3 0.01 -0.08 -0.07 -0.04 2.98 2.80 1lzxB1 TYR 598 HD2 -0.13 0.00 -0.14 -0.04 7.15 6.84 1lzxB1 TYR 598 HE2 0.02 0.03 -0.10 -0.04 6.85 6.76 1lzxB1 CYS 599 H 0.05 0.32 -0.28 -0.55 8.50 8.04 1lzxB1 CYS 599 HA 0.10 -0.01 1.05 -0.75 4.58 4.96 1lzxB1 CYS 599 HB2 0.01 0.34 0.19 -0.04 2.97 3.47 1lzxB1 CYS 599 HB3 0.02 -0.13 0.14 -0.04 2.97 2.96 1lzxB1 ASP 600 H 0.04 0.44 0.02 -0.55 8.40 8.35 1lzxB1 ASP 600 HA 0.00 0.03 0.53 -0.75 4.63 4.44 1lzxB1 ASP 600 HB2 0.04 0.27 0.18 -0.04 2.71 3.17 1lzxB1 ASP 600 HB3 0.03 -0.18 -0.04 -0.04 2.70 2.47 1lzxB1 ASN 601 H 0.02 0.13 0.21 -0.55 8.53 8.34 1lzxB1 ASN 601 HA 0.04 0.09 0.39 -0.75 4.76 4.53 1lzxB1 ASN 601 HB2 0.02 -0.04 0.12 -0.04 2.88 2.94 1lzxB1 ASN 601 HB3 0.03 0.05 0.05 -0.04 2.79 2.89 1lzxB1 ASN 601 HD21 0.01 -0.02 0.06 -0.04 7.03 7.03 1lzxB1 ASN 601 HD22 0.01 0.01 0.07 -0.04 7.74 7.79 1lzxB1 SER 602 H 0.03 -0.03 -0.30 -0.55 8.46 7.62 1lzxB1 SER 602 HA 0.03 0.25 0.71 -0.75 4.49 4.73 1lzxB1 SER 602 HB2 0.04 -0.04 0.01 -0.04 3.95 3.91 1lzxB1 SER 602 HB3 0.04 0.03 0.13 -0.04 3.93 4.08 1lzxB1 ARG 603 H 0.07 0.39 -0.62 -0.55 8.46 7.74 1lzxB1 ARG 603 HA 0.10 0.04 0.81 -0.75 4.34 4.53 1lzxB1 ARG 603 HB2 0.14 0.02 0.08 -0.04 1.90 2.11 1lzxB1 ARG 603 HB3 0.29 0.11 0.34 -0.04 1.80 2.50 1lzxB1 ARG 603 HG2 0.08 -0.16 -0.25 -0.04 1.67 1.30 1lzxB1 ARG 603 HG3 0.10 0.05 -0.04 -0.04 1.67 1.74 1lzxB1 ARG 603 HD2 0.12 0.13 0.06 -0.04 3.22 3.49 1lzxB1 ARG 603 HD3 0.11 -0.02 -0.05 -0.04 3.22 3.22 1lzxB1 TYR 604 H 0.50 0.48 0.27 -0.55 8.29 8.99 1lzxB1 TYR 604 HA 0.10 0.14 0.49 -0.75 4.56 4.53 1lzxB1 TYR 604 HB2 0.26 0.03 0.32 -0.04 3.06 3.64 1lzxB1 TYR 604 HB3 0.12 -0.05 0.08 -0.04 2.98 3.09 1lzxB1 TYR 604 HD2 0.19 0.04 0.13 -0.04 7.15 7.47 1lzxB1 TYR 604 HE2 -0.13 -0.03 0.03 -0.04 6.85 6.68 1lzxB1 ASN 605 H 0.18 0.05 -0.36 -0.55 8.53 7.85 1lzxB1 ASN 605 HA 0.10 -0.09 0.22 -0.75 4.76 4.24 1lzxB1 ASN 605 HB2 0.06 0.18 -0.12 -0.04 2.88 2.97 1lzxB1 ASN 605 HB3 0.06 0.16 -0.12 -0.04 2.79 2.84 1lzxB1 ASN 605 HD21 0.06 -0.12 0.07 -0.04 7.03 7.01 1lzxB1 ASN 605 HD22 0.04 0.10 0.10 -0.04 7.74 7.94 1lzxB1 ILE 606 H 0.12 0.44 0.08 -0.55 8.25 8.34 1lzxB1 ILE 606 HA 0.08 0.24 0.83 -0.75 4.18 4.58 1lzxB1 ILE 606 HB 0.01 -0.07 0.10 -0.04 1.89 1.89 1lzxB1 ILE 606 HG12 0.09 0.12 -0.16 -0.04 1.49 1.49 1lzxB1 ILE 606 HG13 0.09 -0.08 -0.39 -0.04 1.21 0.79 1lzxB1 ILE 606 HG23 0.03 0.06 -0.12 -0.04 0.93 0.86 1lzxB1 ILE 606 HD13 -0.12 -0.00 -0.08 -0.04 0.88 0.64 1lzxB1 LEU 607 H 0.10 0.19 -0.15 -0.55 8.37 7.97 1lzxB1 LEU 607 HA 0.15 0.07 0.31 -0.75 4.35 4.12 1lzxB1 LEU 607 HB2 0.10 0.05 0.09 -0.04 1.64 1.84 1lzxB1 LEU 607 HB3 0.11 -0.04 -0.04 -0.04 1.64 1.63 1lzxB1 LEU 607 HG 0.05 0.03 0.06 -0.04 1.64 1.74 1lzxB1 LEU 607 HD13 -0.10 0.00 0.03 -0.04 0.93 0.82 1lzxB1 LEU 607 HD23 0.04 -0.00 -0.02 -0.04 0.89 0.87 1lzxB1 GLU 608 H 0.19 0.22 -0.15 -0.55 8.60 8.30 1lzxB1 GLU 608 HA 0.28 0.04 0.42 -0.75 4.29 4.27 1lzxB1 GLU 608 HB2 0.08 0.05 0.11 -0.04 2.09 2.29 1lzxB1 GLU 608 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 1lzxB1 GLU 608 HG2 0.34 -0.05 0.01 -0.04 2.34 2.60 1lzxB1 GLU 608 HG3 0.20 0.03 0.04 -0.04 2.34 2.58 1lzxB1 GLU 609 H 0.06 0.20 -0.07 -0.55 8.60 8.24 1lzxB1 GLU 609 HA -0.04 0.03 0.38 -0.75 4.29 3.91 1lzxB1 GLU 609 HB2 0.00 0.03 0.13 -0.04 2.09 2.21 1lzxB1 GLU 609 HB3 0.02 0.09 0.11 -0.04 1.99 2.18 1lzxB1 GLU 609 HG2 -0.02 -0.01 -0.25 -0.04 2.34 2.02 1lzxB1 GLU 609 HG3 -0.04 -0.04 0.06 -0.04 2.34 2.27 1lzxB1 VAL 610 H 0.10 0.45 -0.35 -0.55 8.24 7.88 1lzxB1 VAL 610 HA 0.16 0.06 0.50 -0.75 4.13 4.09 1lzxB1 VAL 610 HB 0.21 0.07 0.07 -0.04 2.12 2.42 1lzxB1 VAL 610 HG13 0.45 -0.02 -0.10 -0.04 0.97 1.26 1lzxB1 VAL 610 HG23 0.09 0.05 -0.02 -0.04 0.95 1.02 1lzxB1 ALA 611 H 0.18 0.58 -0.03 -0.55 8.40 8.58 1lzxB1 ALA 611 HA 0.18 -0.02 0.37 -0.75 4.34 4.12 1lzxB1 ALA 611 HB3 0.32 -0.01 0.07 -0.04 1.41 1.76 1lzxB1 LYS 612 H -0.07 0.71 -0.14 -0.55 8.42 8.36 1lzxB1 LYS 612 HA -0.18 -0.00 0.45 -0.75 4.32 3.83 1lzxB1 LYS 612 HB2 -0.16 0.11 0.13 -0.04 1.87 1.91 1lzxB1 LYS 612 HB3 -0.17 -0.01 0.01 -0.04 1.79 1.57 1lzxB1 LYS 612 HG2 -0.18 -0.07 0.00 -0.04 1.46 1.18 1lzxB1 LYS 612 HG3 -0.11 0.28 -0.07 -0.04 1.46 1.51 1lzxB1 LYS 612 HD2 -0.09 0.01 -0.06 -0.04 1.69 1.51 1lzxB1 LYS 612 HD3 -0.11 0.00 -0.02 -0.04 1.68 1.51 1lzxB1 LYS 612 HE2 -0.13 -0.02 -0.04 -0.04 2.99 2.76 1lzxB1 LYS 612 HE3 -0.08 -0.07 -0.12 -0.04 2.99 2.67 1lzxB1 LYS 613 H -0.35 0.43 -0.11 -0.55 8.42 7.84 1lzxB1 LYS 613 HA -0.65 0.03 0.36 -0.75 4.32 3.31 1lzxB1 LYS 613 HB2 -1.64 0.09 0.07 -0.04 1.87 0.35 1lzxB1 LYS 613 HB3 -2.59 -0.09 0.02 -0.04 1.79 -0.92 1lzxB1 LYS 613 HG2 -0.38 0.27 0.19 -0.04 1.46 1.50 1lzxB1 LYS 613 HG3 -0.44 -0.03 0.01 -0.04 1.46 0.96 1lzxB1 LYS 613 HD2 -0.45 -0.04 -0.00 -0.04 1.69 1.16 1lzxB1 LYS 613 HD3 -0.47 -0.03 0.02 -0.04 1.68 1.15 1lzxB1 LYS 613 HE2 -0.15 -0.02 -0.01 -0.04 2.99 2.77 1lzxB1 LYS 613 HE3 -0.18 -0.03 0.02 -0.04 2.99 2.76 1lzxB1 MET 614 H -0.27 0.34 -0.48 -0.55 8.47 7.51 1lzxB1 MET 614 HA -0.22 0.03 0.50 -0.75 4.52 4.07 1lzxB1 MET 614 HB2 0.04 0.07 0.00 -0.04 2.15 2.22 1lzxB1 MET 614 HB3 0.05 -0.06 0.02 -0.04 2.03 1.99 1lzxB1 MET 614 HG2 0.18 -0.07 -0.04 -0.04 2.63 2.66 1lzxB1 MET 614 HG3 0.28 0.24 0.01 -0.04 2.56 3.04 1lzxB1 MET 614 HE3 0.31 0.00 -0.09 -0.04 2.10 2.28 1lzxB1 ASP 615 H -0.23 0.45 -0.59 -0.55 8.40 7.49 1lzxB1 ASP 615 HA -0.15 0.04 0.40 -0.75 4.63 4.17 1lzxB1 ASP 615 HB2 -0.16 0.04 -0.08 -0.04 2.71 2.47 1lzxB1 ASP 615 HB3 -0.10 0.08 0.07 -0.04 2.70 2.71 1lzxB1 LEU 616 H -0.08 0.33 0.01 -0.55 8.37 8.09 1lzxB1 LEU 616 HA 0.02 0.17 0.68 -0.75 4.35 4.46 1lzxB1 LEU 616 HB2 0.08 -0.05 -0.07 -0.04 1.64 1.56 1lzxB1 LEU 616 HB3 0.16 -0.08 -0.02 -0.04 1.64 1.65 1lzxB1 LEU 616 HG 0.07 0.07 -0.20 -0.04 1.64 1.54 1lzxB1 LEU 616 HD13 0.26 -0.04 0.01 -0.04 0.93 1.11 1lzxB1 LEU 616 HD23 0.12 0.02 -0.05 -0.04 0.89 0.93 1lzxB1 ASP 617 H 0.03 0.18 0.09 -0.55 8.40 8.15 1lzxB1 ASP 617 HA -0.09 0.12 0.55 -0.75 4.63 4.45 1lzxB1 ASP 617 HB2 -0.00 0.11 0.14 -0.04 2.71 2.91 1lzxB1 ASP 617 HB3 0.04 -0.01 0.25 -0.04 2.70 2.93 1lzxB1 MET 618 H -0.30 0.38 0.17 -0.55 8.47 8.18 1lzxB1 MET 618 HA -1.24 0.06 0.52 -0.75 4.52 3.11 1lzxB1 MET 618 HB2 -0.55 0.06 0.03 -0.04 2.15 1.65 1lzxB1 MET 618 HB3 -1.18 -0.01 0.09 -0.04 2.03 0.89 1lzxB1 MET 618 HG2 -1.77 -0.10 -0.15 -0.04 2.63 0.57 1lzxB1 MET 618 HG3 -0.54 0.18 -0.23 -0.04 2.56 1.92 1lzxB1 MET 618 HE3 -0.82 -0.03 -0.01 -0.04 2.10 1.20 1lzxB1 ARG 619 H -0.14 0.04 -0.43 -0.55 8.46 7.38 1lzxB1 ARG 619 HA -0.09 0.14 0.48 -0.75 4.34 4.12 1lzxB1 ARG 619 HB2 -0.03 -0.03 0.03 -0.04 1.90 1.83 1lzxB1 ARG 619 HB3 -0.03 0.04 -0.00 -0.04 1.80 1.76 1lzxB1 ARG 619 HG2 -0.07 0.05 0.00 -0.04 1.67 1.61 1lzxB1 ARG 619 HG3 -0.10 -0.08 0.00 -0.04 1.67 1.45 1lzxB1 ARG 619 HD2 -0.03 0.02 -0.00 -0.04 3.22 3.16 1lzxB1 ARG 619 HD3 -0.05 0.03 -0.00 -0.04 3.22 3.16 1lzxB1 LYS 620 H 0.05 0.20 -0.14 -0.55 8.42 7.97 1lzxB1 LYS 620 HA 0.10 0.21 0.86 -0.75 4.32 4.74 1lzxB1 LYS 620 HB2 0.07 -0.08 0.00 -0.04 1.87 1.82 1lzxB1 LYS 620 HB3 0.04 0.14 -0.10 -0.04 1.79 1.83 1lzxB1 LYS 620 HG2 0.04 -0.06 -0.00 -0.04 1.46 1.39 1lzxB1 LYS 620 HG3 0.08 -0.07 0.01 -0.04 1.46 1.43 1lzxB1 LYS 620 HD2 0.04 0.01 -0.05 -0.04 1.69 1.65 1lzxB1 LYS 620 HD3 0.02 0.05 -0.06 -0.04 1.68 1.65 1lzxB1 LYS 620 HE2 0.02 0.05 -0.03 -0.04 2.99 2.99 1lzxB1 LYS 620 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 1lzxB1 THR 621 H 0.16 0.27 0.12 -0.55 8.28 8.28 1lzxB1 THR 621 HA 0.26 0.02 0.39 -0.75 4.39 4.30 1lzxB1 THR 621 HB 0.00 0.00 0.08 -0.04 4.32 4.37 1lzxB1 THR 621 HG23 0.12 0.03 0.08 -0.04 1.22 1.41 1lzxB1 SER 622 H 0.08 0.10 -0.31 -0.55 8.46 7.78 1lzxB1 SER 622 HA 0.04 0.09 0.34 -0.75 4.49 4.20 1lzxB1 SER 622 HB2 0.04 0.07 0.10 -0.04 3.95 4.12 1lzxB1 SER 622 HB3 0.04 0.01 0.08 -0.04 3.93 4.01 1lzxB1 SER 623 H 0.16 0.42 -0.55 -0.55 8.46 7.94 1lzxB1 SER 623 HA 0.08 0.13 0.60 -0.75 4.49 4.55 1lzxB1 SER 623 HB2 0.13 -0.05 0.15 -0.04 3.95 4.14 1lzxB1 SER 623 HB3 0.12 -0.04 0.14 -0.04 3.93 4.12 1lzxB1 LEU 624 H 0.08 0.63 0.01 -0.55 8.37 8.54 1lzxB1 LEU 624 HA -0.08 0.02 0.37 -0.75 4.35 3.90 1lzxB1 LEU 624 HB2 0.03 0.28 0.16 -0.04 1.64 2.07 1lzxB1 LEU 624 HB3 -0.02 -0.15 0.20 -0.04 1.64 1.64 1lzxB1 LEU 624 HG 0.02 0.16 -0.40 -0.04 1.64 1.39 1lzxB1 LEU 624 HD13 0.00 -0.00 -0.02 -0.04 0.93 0.87 1lzxB1 LEU 624 HD23 -0.02 0.03 0.02 -0.04 0.89 0.88 1lzxB1 TRP 625 H 0.23 0.17 -0.08 -0.55 7.97 7.74 1lzxB1 TRP 625 HA 0.03 0.15 0.35 -0.75 4.62 4.39 1lzxB1 TRP 625 HB2 0.02 0.02 -0.13 -0.04 3.23 3.10 1lzxB1 TRP 625 HB3 0.01 0.14 -0.15 -0.04 3.23 3.19 1lzxB1 TRP 625 HD1 0.01 0.12 -0.02 -0.04 7.22 7.29 1lzxB1 TRP 625 HE1 0.01 0.01 -0.16 -0.04 10.20 10.01 1lzxB1 TRP 625 HE3 0.02 -0.01 -0.30 -0.04 7.59 7.26 1lzxB1 TRP 625 HZ2 0.01 0.05 -0.03 -0.04 7.44 7.42 1lzxB1 TRP 625 HZ3 0.02 0.02 -0.33 -0.04 7.13 6.79 1lzxB1 TRP 625 HH2 0.01 0.01 -0.07 -0.04 7.19 7.10 1lzxB1 LYS 626 H -1.24 0.11 -0.10 -0.55 8.42 6.62 1lzxB1 LYS 626 HA -0.54 0.10 0.37 -0.75 4.32 3.49 1lzxB1 LYS 626 HB2 -0.70 -0.04 0.08 -0.04 1.87 1.18 1lzxB1 LYS 626 HB3 -0.46 0.07 -0.03 -0.04 1.79 1.33 1lzxB1 LYS 626 HG2 -1.39 0.01 -0.01 -0.04 1.46 0.03 1lzxB1 LYS 626 HG3 -2.71 -0.03 0.02 -0.04 1.46 -1.31 1lzxB1 LYS 626 HD2 -0.46 -0.00 0.02 -0.04 1.69 1.20 1lzxB1 LYS 626 HD3 -0.36 0.04 0.01 -0.04 1.68 1.33 1lzxB1 LYS 626 HE2 -0.15 -0.01 -0.01 -0.04 2.99 2.78 1lzxB1 LYS 626 HE3 -0.14 -0.00 -0.01 -0.04 2.99 2.80 1lzxB1 ASP 627 H -0.21 0.06 -0.34 -0.55 8.40 7.36 1lzxB1 ASP 627 HA -0.08 0.05 0.40 -0.75 4.63 4.24 1lzxB1 ASP 627 HB2 -0.03 0.20 0.11 -0.04 2.71 2.95 1lzxB1 ASP 627 HB3 -0.03 -0.01 0.05 -0.04 2.70 2.66 1lzxB1 GLN 628 H 0.03 0.51 -0.13 -0.55 8.47 8.34 1lzxB1 GLN 628 HA 0.07 0.02 0.48 -0.75 4.36 4.18 1lzxB1 GLN 628 HB2 0.14 0.06 0.18 -0.04 2.15 2.49 1lzxB1 GLN 628 HB3 0.14 -0.02 0.00 -0.04 2.02 2.11 1lzxB1 GLN 628 HG2 0.08 -0.06 0.05 -0.04 2.40 2.42 1lzxB1 GLN 628 HG3 0.07 0.14 0.09 -0.04 2.39 2.65 1lzxB1 GLN 628 HE21 0.08 0.01 0.01 -0.04 6.97 7.03 1lzxB1 GLN 628 HE22 0.08 -0.04 0.01 -0.04 7.69 7.70 1lzxB1 ALA 629 H 0.13 0.65 -0.06 -0.55 8.40 8.57 1lzxB1 ALA 629 HA 0.24 0.02 0.35 -0.75 4.34 4.19 1lzxB1 ALA 629 HB3 0.22 0.01 0.05 -0.04 1.41 1.65 1lzxB1 LEU 630 H 0.04 0.45 -0.35 -0.55 8.37 7.97 1lzxB1 LEU 630 HA 0.06 0.04 0.37 -0.75 4.35 4.07 1lzxB1 LEU 630 HB2 -0.03 0.13 0.14 -0.04 1.64 1.84 1lzxB1 LEU 630 HB3 -0.01 0.11 0.16 -0.04 1.64 1.85 1lzxB1 LEU 630 HG -0.03 -0.09 -0.18 -0.04 1.64 1.30 1lzxB1 LEU 630 HD13 -0.02 -0.01 0.05 -0.04 0.93 0.91 1lzxB1 LEU 630 HD23 -0.07 -0.01 -0.01 -0.04 0.89 0.76 1lzxB1 VAL 631 H 0.05 0.50 -0.10 -0.55 8.24 8.15 1lzxB1 VAL 631 HA 0.03 -0.03 0.39 -0.75 4.13 3.77 1lzxB1 VAL 631 HB 0.07 0.14 0.16 -0.04 2.12 2.45 1lzxB1 VAL 631 HG13 0.05 -0.02 -0.11 -0.04 0.97 0.85 1lzxB1 VAL 631 HG23 0.04 0.06 0.07 -0.04 0.95 1.08 1lzxB1 GLU 632 H 0.14 0.49 -0.14 -0.55 8.60 8.55 1lzxB1 GLU 632 HA 0.12 0.01 0.43 -0.75 4.29 4.09 1lzxB1 GLU 632 HB2 0.30 0.14 0.10 -0.04 2.09 2.59 1lzxB1 GLU 632 HB3 0.25 -0.06 0.01 -0.04 1.99 2.14 1lzxB1 GLU 632 HG2 0.21 0.20 0.07 -0.04 2.34 2.78 1lzxB1 GLU 632 HG3 0.46 0.01 -0.01 -0.04 2.34 2.76 1lzxB1 ILE 633 H 0.18 0.57 -0.20 -0.55 8.25 8.25 1lzxB1 ILE 633 HA 0.21 0.02 0.39 -0.75 4.18 4.04 1lzxB1 ILE 633 HB 0.16 0.16 0.14 -0.04 1.89 2.31 1lzxB1 ILE 633 HG12 0.50 -0.05 -0.02 -0.04 1.49 1.88 1lzxB1 ILE 633 HG13 0.34 0.17 0.07 -0.04 1.21 1.75 1lzxB1 ILE 633 HG23 0.30 -0.03 -0.12 -0.04 0.93 1.04 1lzxB1 ILE 633 HD13 0.18 -0.02 -0.16 -0.04 0.88 0.84 1lzxB1 ASN 634 H 0.04 0.53 -0.20 -0.55 8.53 8.37 1lzxB1 ASN 634 HA -0.03 -0.03 0.49 -0.75 4.76 4.44 1lzxB1 ASN 634 HB2 0.00 0.18 0.12 -0.04 2.88 3.14 1lzxB1 ASN 634 HB3 -0.01 -0.12 -0.02 -0.04 2.79 2.60 1lzxB1 ASN 634 HD21 -0.07 -0.05 -0.52 -0.04 7.03 6.35 1lzxB1 ASN 634 HD22 -0.01 0.52 -0.04 -0.04 7.74 8.17 1lzxB1 ILE 635 H -0.04 0.46 -0.27 -0.55 8.25 7.85 1lzxB1 ILE 635 HA -0.08 -0.02 0.49 -0.75 4.18 3.81 1lzxB1 ILE 635 HB -0.15 0.16 0.25 -0.04 1.89 2.11 1lzxB1 ILE 635 HG12 -0.08 -0.05 0.04 -0.04 1.49 1.36 1lzxB1 ILE 635 HG13 -0.02 0.12 0.04 -0.04 1.21 1.30 1lzxB1 ILE 635 HG23 -0.47 -0.02 -0.08 -0.04 0.93 0.32 1lzxB1 ILE 635 HD13 -0.03 -0.03 -0.07 -0.04 0.88 0.71 1lzxB1 ALA 636 H -0.23 0.51 -0.16 -0.55 8.40 7.98 1lzxB1 ALA 636 HA -0.34 0.05 0.47 -0.75 4.34 3.77 1lzxB1 ALA 636 HB3 -0.69 0.04 -0.03 -0.04 1.41 0.68 1lzxB1 VAL 637 H -0.04 0.37 -0.20 -0.55 8.24 7.81 1lzxB1 VAL 637 HA 0.11 0.08 0.39 -0.75 4.13 3.96 1lzxB1 VAL 637 HB -0.11 0.00 0.14 -0.04 2.12 2.12 1lzxB1 VAL 637 HG13 -0.34 -0.01 -0.13 -0.04 0.97 0.46 1lzxB1 VAL 637 HG23 -0.00 0.05 -0.02 -0.04 0.95 0.93 1lzxB1 LEU 638 H -0.05 0.42 -0.11 -0.55 8.37 8.08 1lzxB1 LEU 638 HA -0.04 0.02 0.40 -0.75 4.35 3.97 1lzxB1 LEU 638 HB2 -0.02 0.14 0.19 -0.04 1.64 1.91 1lzxB1 LEU 638 HB3 -0.00 -0.02 0.01 -0.04 1.64 1.59 1lzxB1 LEU 638 HG -0.06 0.02 0.10 -0.04 1.64 1.66 1lzxB1 LEU 638 HD13 0.01 -0.03 0.04 -0.04 0.93 0.92 1lzxB1 LEU 638 HD23 -0.04 -0.03 -0.08 -0.04 0.89 0.70 1lzxB1 TYR 639 H 0.06 0.56 -0.11 -0.55 8.29 8.25 1lzxB1 TYR 639 HA -0.06 -0.01 0.40 -0.75 4.56 4.13 1lzxB1 TYR 639 HB2 -0.19 -0.04 0.13 -0.04 3.06 2.92 1lzxB1 TYR 639 HB3 -0.19 0.14 0.20 -0.04 2.98 3.08 1lzxB1 TYR 639 HD2 -0.13 0.09 -0.08 -0.04 7.15 7.00 1lzxB1 TYR 639 HE2 -0.07 0.01 -0.17 -0.04 6.85 6.58 1lzxB1 SER 640 H 0.07 0.55 -0.13 -0.55 8.46 8.41 1lzxB1 SER 640 HA -0.22 0.01 0.42 -0.75 4.49 3.94 1lzxB1 SER 640 HB2 0.17 0.01 0.14 -0.04 3.95 4.23 1lzxB1 SER 640 HB3 0.01 0.20 0.06 -0.04 3.93 4.17 1lzxB1 PHE 641 H 0.32 0.46 -0.12 -0.55 8.34 8.45 1lzxB1 PHE 641 HA -0.04 0.04 0.41 -0.75 4.62 4.28 1lzxB1 PHE 641 HB2 -0.03 0.02 0.15 -0.04 3.15 3.25 1lzxB1 PHE 641 HB3 -0.02 0.21 -0.06 -0.04 3.06 3.15 1lzxB1 PHE 641 HD2 0.02 0.18 -0.06 -0.04 7.28 7.37 1lzxB1 PHE 641 HE2 0.09 0.00 -0.05 -0.04 7.38 7.38 1lzxB1 PHE 641 HZ 0.06 0.09 -0.23 -0.04 7.32 7.20 1lzxB1 GLN 642 H 0.05 0.52 -0.05 -0.55 8.47 8.45 1lzxB1 GLN 642 HA -0.01 0.04 0.39 -0.75 4.36 4.03 1lzxB1 GLN 642 HB2 -0.06 0.06 0.11 -0.04 2.15 2.22 1lzxB1 GLN 642 HB3 -0.03 -0.06 0.05 -0.04 2.02 1.94 1lzxB1 GLN 642 HG2 0.00 -0.04 0.05 -0.04 2.40 2.38 1lzxB1 GLN 642 HG3 0.03 0.34 0.17 -0.04 2.39 2.89 1lzxB1 GLN 642 HE21 0.00 -0.09 -0.01 -0.04 6.97 6.83 1lzxB1 GLN 642 HE22 -0.00 0.02 0.01 -0.04 7.69 7.68 1lzxB1 SER 643 H -0.21 0.48 -0.28 -0.55 8.46 7.89 1lzxB1 SER 643 HA -0.16 -0.00 0.45 -0.75 4.49 4.02 1lzxB1 SER 643 HB2 -0.35 0.13 0.13 -0.04 3.95 3.83 1lzxB1 SER 643 HB3 -0.27 -0.08 0.04 -0.04 3.93 3.58 1lzxB1 ASP 644 H -0.13 0.40 -0.23 -0.55 8.40 7.90 1lzxB1 ASP 644 HA -0.09 0.07 0.67 -0.75 4.63 4.53 1lzxB1 ASP 644 HB2 -0.17 0.07 0.14 -0.04 2.71 2.71 1lzxB1 ASP 644 HB3 -0.12 -0.03 0.12 -0.04 2.70 2.62 1lzxB1 LYS 645 H -0.07 0.21 -0.68 -0.55 8.42 7.33 1lzxB1 LYS 645 HA -0.05 -0.01 0.27 -0.75 4.32 3.79 1lzxB1 LYS 645 HB2 -0.05 0.19 -0.04 -0.04 1.87 1.93 1lzxB1 LYS 645 HB3 -0.05 -0.08 0.17 -0.04 1.79 1.80 1lzxB1 LYS 645 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 1lzxB1 LYS 645 HG3 -0.06 0.11 -0.22 -0.04 1.46 1.26 1lzxB1 LYS 645 HD2 -0.04 0.02 -0.06 -0.04 1.69 1.57 1lzxB1 LYS 645 HD3 -0.04 -0.05 0.00 -0.04 1.68 1.55 1lzxB1 LYS 645 HE2 -0.04 -0.05 0.01 -0.04 2.99 2.87 1lzxB1 LYS 645 HE3 -0.04 0.08 0.00 -0.04 2.99 2.99 1lzxB1 VAL 646 H -0.02 0.55 -0.05 -0.55 8.24 8.17 1lzxB1 VAL 646 HA -0.00 0.29 1.00 -0.75 4.13 4.67 1lzxB1 VAL 646 HB -0.11 -0.11 0.06 -0.04 2.12 1.92 1lzxB1 VAL 646 HG13 0.10 0.00 -0.04 -0.04 0.97 0.99 1lzxB1 VAL 646 HG23 -0.14 0.01 -0.21 -0.04 0.95 0.57 1lzxB1 THR 647 H -0.00 0.58 0.32 -0.55 8.28 8.63 1lzxB1 THR 647 HA -0.13 -0.03 0.38 -0.75 4.39 3.86 1lzxB1 THR 647 HB -0.09 -0.03 0.14 -0.04 4.32 4.30 1lzxB1 THR 647 HG23 -1.10 -0.01 -0.06 -0.04 1.22 0.01 1lzxB1 ILE 648 H -0.11 0.31 0.29 -0.55 8.25 8.19 1lzxB1 ILE 648 HA 0.16 0.18 0.53 -0.75 4.18 4.30 1lzxB1 ILE 648 HB 0.07 0.24 -0.20 -0.04 1.89 1.96 1lzxB1 ILE 648 HG12 -0.09 -0.17 -0.06 -0.04 1.49 1.13 1lzxB1 ILE 648 HG13 -0.10 0.10 -0.03 -0.04 1.21 1.14 1lzxB1 ILE 648 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.75 1lzxB1 ILE 648 HD13 -0.85 -0.02 -0.13 -0.04 0.88 -0.17 1lzxB1 VAL 649 H 0.14 0.51 0.36 -0.55 8.24 8.70 1lzxB1 VAL 649 HA 0.05 0.17 0.94 -0.75 4.13 4.54 1lzxB1 VAL 649 HB 0.26 0.12 -0.09 -0.04 2.12 2.36 1lzxB1 VAL 649 HG13 0.28 0.03 -0.02 -0.04 0.97 1.22 1lzxB1 VAL 649 HG23 0.13 0.04 0.03 -0.04 0.95 1.11 1lzxB1 ASP 650 H 0.03 0.19 0.22 -0.55 8.40 8.29 1lzxB1 ASP 650 HA 0.04 0.05 0.78 -0.75 4.63 4.74 1lzxB1 ASP 650 HB2 -0.09 -0.02 0.20 -0.04 2.71 2.76 1lzxB1 ASP 650 HB3 -0.00 0.15 0.15 -0.04 2.70 2.96 1lzxB1 HIS 651 H 0.20 0.16 0.21 -0.55 8.41 8.44 1lzxB1 HIS 651 HA -0.06 0.13 0.43 -0.75 4.63 4.38 1lzxB1 HIS 651 HB2 -0.17 0.14 0.09 -0.04 3.26 3.29 1lzxB1 HIS 651 HB3 -0.13 -0.04 0.15 -0.04 3.20 3.14 1lzxB1 HIS 651 HD2 -0.38 0.15 -0.12 -0.04 6.97 6.57 1lzxB1 HIS 651 HE1 -0.11 0.05 -0.00 -0.04 7.75 7.64 1lzxB1 HIS 652 H -0.53 0.03 -0.17 -0.55 8.41 7.20 1lzxB1 HIS 652 HA -0.06 0.17 0.57 -0.75 4.63 4.56 1lzxB1 HIS 652 HB2 -0.14 -0.07 0.12 -0.04 3.26 3.13 1lzxB1 HIS 652 HB3 -0.07 0.10 0.06 -0.04 3.20 3.25 1lzxB1 HIS 652 HD2 -0.29 -0.03 0.04 -0.04 6.97 6.65 1lzxB1 HIS 652 HE1 -0.00 0.05 -0.04 -0.04 7.75 7.71 1lzxB1 SER 653 H 0.04 0.04 -0.06 -0.55 8.46 7.94 1lzxB1 SER 653 HA 0.07 0.10 0.43 -0.75 4.49 4.34 1lzxB1 SER 653 HB2 0.06 -0.01 0.17 -0.04 3.95 4.13 1lzxB1 SER 653 HB3 0.07 0.09 0.06 -0.04 3.93 4.10 1lzxB1 ALA 654 H 0.07 0.45 -0.09 -0.55 8.40 8.28 1lzxB1 ALA 654 HA 0.13 0.08 0.40 -0.75 4.34 4.20 1lzxB1 ALA 654 HB3 0.09 0.01 0.01 -0.04 1.41 1.48 1lzxB1 THR 655 H 0.07 0.41 -0.20 -0.55 8.28 8.02 1lzxB1 THR 655 HA 0.13 0.13 0.57 -0.75 4.39 4.47 1lzxB1 THR 655 HB 0.09 -0.18 0.08 -0.04 4.32 4.28 1lzxB1 THR 655 HG23 0.01 0.04 0.13 -0.04 1.22 1.36 1lzxB1 GLU 656 H 0.10 0.49 -0.08 -0.55 8.60 8.57 1lzxB1 GLU 656 HA 0.10 -0.00 0.46 -0.75 4.29 4.10 1lzxB1 GLU 656 HB2 0.08 0.06 0.18 -0.04 2.09 2.38 1lzxB1 GLU 656 HB3 0.08 0.07 0.19 -0.04 1.99 2.28 1lzxB1 GLU 656 HG2 0.06 -0.01 -0.12 -0.04 2.34 2.24 1lzxB1 GLU 656 HG3 0.06 -0.03 0.07 -0.04 2.34 2.40 1lzxB1 SER 657 H 0.12 0.59 -0.10 -0.55 8.46 8.52 1lzxB1 SER 657 HA 0.09 0.01 0.46 -0.75 4.49 4.30 1lzxB1 SER 657 HB2 0.14 0.12 0.18 -0.04 3.95 4.35 1lzxB1 SER 657 HB3 0.11 -0.05 0.02 -0.04 3.93 3.98 1lzxB1 PHE 658 H 0.26 0.46 -0.20 -0.55 8.34 8.31 1lzxB1 PHE 658 HA 0.14 -0.03 0.37 -0.75 4.62 4.34 1lzxB1 PHE 658 HB2 0.07 0.25 0.25 -0.04 3.15 3.69 1lzxB1 PHE 658 HB3 0.07 0.05 0.18 -0.04 3.06 3.32 1lzxB1 PHE 658 HD2 0.09 -0.04 -0.10 -0.04 7.28 7.19 1lzxB1 PHE 658 HE2 0.11 0.06 -0.06 -0.04 7.38 7.44 1lzxB1 PHE 658 HZ 0.08 0.09 -0.09 -0.04 7.32 7.35 1lzxB1 ILE 659 H 0.17 0.47 -0.24 -0.55 8.25 8.09 1lzxB1 ILE 659 HA -0.02 0.04 0.41 -0.75 4.18 3.85 1lzxB1 ILE 659 HB 0.08 0.15 0.17 -0.04 1.89 2.25 1lzxB1 ILE 659 HG12 0.20 0.21 0.02 -0.04 1.49 1.88 1lzxB1 ILE 659 HG13 0.13 -0.09 -0.10 -0.04 1.21 1.11 1lzxB1 ILE 659 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.77 1lzxB1 ILE 659 HD13 0.17 -0.01 -0.13 -0.04 0.88 0.86 1lzxB1 LYS 660 H 0.04 0.45 -0.11 -0.55 8.42 8.25 1lzxB1 LYS 660 HA -0.00 -0.01 0.40 -0.75 4.32 3.95 1lzxB1 LYS 660 HB2 0.05 0.16 0.20 -0.04 1.87 2.24 1lzxB1 LYS 660 HB3 0.03 -0.04 0.04 -0.04 1.79 1.78 1lzxB1 LYS 660 HG2 0.02 -0.05 0.04 -0.04 1.46 1.43 1lzxB1 LYS 660 HG3 0.04 0.16 0.11 -0.04 1.46 1.74 1lzxB1 LYS 660 HD2 0.05 -0.00 0.01 -0.04 1.69 1.70 1lzxB1 LYS 660 HD3 0.03 -0.02 0.01 -0.04 1.68 1.67 1lzxB1 LYS 660 HE2 0.04 -0.00 -0.06 -0.04 2.99 2.93 1lzxB1 LYS 660 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.93 1lzxB1 HIS 661 H 0.06 0.65 -0.09 -0.55 8.41 8.48 1lzxB1 HIS 661 HA -0.04 0.00 0.41 -0.75 4.63 4.25 1lzxB1 HIS 661 HB2 -0.02 -0.06 0.07 -0.04 3.26 3.21 1lzxB1 HIS 661 HB3 -0.19 0.08 0.15 -0.04 3.20 3.21 1lzxB1 HIS 661 HD2 -0.29 0.03 -0.15 -0.04 6.97 6.52 1lzxB1 HIS 661 HE1 -0.05 0.01 -0.06 -0.04 7.75 7.61 1lzxB1 MET 662 H -0.37 0.78 -0.11 -0.55 8.47 8.22 1lzxB1 MET 662 HA -0.42 0.03 0.34 -0.75 4.52 3.72 1lzxB1 MET 662 HB2 -0.82 0.07 0.09 -0.04 2.15 1.45 1lzxB1 MET 662 HB3 -0.24 0.07 0.14 -0.04 2.03 1.96 1lzxB1 MET 662 HG2 0.08 -0.08 -0.20 -0.04 2.63 2.39 1lzxB1 MET 662 HG3 0.03 0.03 -0.02 -0.04 2.56 2.56 1lzxB1 MET 662 HE3 0.17 0.05 -0.02 -0.04 2.10 2.25 1lzxB1 GLU 663 H -0.10 0.63 -0.14 -0.55 8.60 8.44 1lzxB1 GLU 663 HA -0.05 -0.01 0.43 -0.75 4.29 3.90 1lzxB1 GLU 663 HB2 -0.03 0.09 0.12 -0.04 2.09 2.22 1lzxB1 GLU 663 HB3 -0.04 -0.07 0.02 -0.04 1.99 1.87 1lzxB1 GLU 663 HG2 -0.09 -0.07 -0.02 -0.04 2.34 2.12 1lzxB1 GLU 663 HG3 -0.06 0.44 0.07 -0.04 2.34 2.75 1lzxB1 ASN 664 H -0.06 0.60 -0.14 -0.55 8.53 8.38 1lzxB1 ASN 664 HA -0.00 -0.02 0.45 -0.75 4.76 4.43 1lzxB1 ASN 664 HB2 0.00 0.05 0.15 -0.04 2.88 3.04 1lzxB1 ASN 664 HB3 -0.04 0.19 0.21 -0.04 2.79 3.11 1lzxB1 ASN 664 HD21 0.06 -0.03 -0.02 -0.04 7.03 7.01 1lzxB1 ASN 664 HD22 0.09 0.04 0.00 -0.04 7.74 7.83 1lzxB1 GLU 665 H -0.18 0.64 -0.13 -0.55 8.60 8.38 1lzxB1 GLU 665 HA -0.10 -0.03 0.42 -0.75 4.29 3.82 1lzxB1 GLU 665 HB2 -0.28 0.08 0.09 -0.04 2.09 1.94 1lzxB1 GLU 665 HB3 -0.25 0.21 0.04 -0.04 1.99 1.95 1lzxB1 GLU 665 HG2 -0.50 0.04 0.05 -0.04 2.34 1.89 1lzxB1 GLU 665 HG3 -0.89 -0.02 -0.06 -0.04 2.34 1.34 1lzxB1 TYR 666 H 0.17 0.48 -0.27 -0.55 8.29 8.12 1lzxB1 TYR 666 HA -0.03 -0.12 0.48 -0.75 4.56 4.14 1lzxB1 TYR 666 HB2 -0.04 0.15 0.15 -0.04 3.06 3.27 1lzxB1 TYR 666 HB3 -0.01 -0.02 -0.02 -0.04 2.98 2.88 1lzxB1 TYR 666 HD2 -0.03 0.35 -0.15 -0.04 7.15 7.28 1lzxB1 TYR 666 HE2 0.02 0.05 -0.21 -0.04 6.85 6.66 1lzxB1 ARG 667 H 0.07 0.41 -0.21 -0.55 8.46 8.17 1lzxB1 ARG 667 HA 0.05 0.05 0.51 -0.75 4.34 4.19 1lzxB1 ARG 667 HB2 0.02 0.14 0.23 -0.04 1.90 2.25 1lzxB1 ARG 667 HB3 0.02 -0.06 0.04 -0.04 1.80 1.76 1lzxB1 ARG 667 HG2 0.02 -0.07 0.04 -0.04 1.67 1.63 1lzxB1 ARG 667 HG3 0.05 0.03 0.09 -0.04 1.67 1.79 1lzxB1 ARG 667 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 1lzxB1 ARG 667 HD3 0.01 -0.06 0.01 -0.04 3.22 3.13 1lzxB1 CYS 668 H 0.00 0.55 0.12 -0.55 8.50 8.63 1lzxB1 CYS 668 HA 0.01 0.13 0.75 -0.75 4.58 4.71 1lzxB1 CYS 668 HB2 0.02 -0.03 0.09 -0.04 2.97 3.02 1lzxB1 CYS 668 HB3 0.02 -0.04 0.09 -0.04 2.97 3.00 1lzxB1 ARG 669 H -0.04 0.37 0.00 -0.55 8.46 8.24 1lzxB1 ARG 669 HA -0.04 0.21 1.04 -0.75 4.34 4.80 1lzxB1 ARG 669 HB2 -0.07 -0.07 0.02 -0.04 1.90 1.73 1lzxB1 ARG 669 HB3 -0.12 0.23 0.19 -0.04 1.80 2.06 1lzxB1 ARG 669 HG2 -0.10 -0.03 -0.10 -0.04 1.67 1.40 1lzxB1 ARG 669 HG3 -0.07 -0.03 0.16 -0.04 1.67 1.69 1lzxB1 ARG 669 HD2 -0.07 -0.04 -0.01 -0.04 3.22 3.07 1lzxB1 ARG 669 HD3 -0.10 -0.02 -0.00 -0.04 3.22 3.06 1lzxB1 GLY 670 H -0.05 0.26 -0.01 -0.55 8.43 8.08 1lzxB1 GLY 670 HA2 -0.02 0.21 0.48 -0.51 4.01 4.17 1lzxB1 GLY 670 HA3 -0.06 0.05 0.77 -0.51 4.01 4.26 1lzxB1 GLY 671 H -0.25 0.46 0.04 -0.55 8.43 8.12 1lzxB1 GLY 671 HA2 -1.43 0.01 0.25 -0.51 4.01 2.34 1lzxB1 GLY 671 HA3 -0.32 -0.02 0.56 -0.51 4.01 3.72 1lzxB1 CYS 672 H -0.43 0.12 -0.08 -0.55 8.50 7.56 1lzxB1 CYS 672 HA -0.19 0.21 0.50 -0.75 4.58 4.34 1lzxB1 CYS 672 HB2 -0.21 0.04 -0.16 -0.04 2.97 2.61 1lzxB1 CYS 672 HB3 0.02 -0.09 0.05 -0.04 2.97 2.91 1lzxB1 PRO 673 HA -0.54 0.24 0.66 -0.51 4.44 4.30 1lzxB1 PRO 673 HB2 -0.45 0.04 0.18 -0.04 2.28 2.01 1lzxB1 PRO 673 HB3 -1.59 -0.07 0.10 -0.04 2.02 0.42 1lzxB1 PRO 673 HG2 -0.19 0.10 0.11 -0.04 2.03 2.01 1lzxB1 PRO 673 HG3 -0.22 0.04 0.09 -0.04 2.03 1.90 1lzxB1 PRO 673 HD2 -0.18 0.18 0.11 -0.04 3.68 3.75 1lzxB1 PRO 673 HD3 -0.21 0.04 -0.02 -0.04 3.65 3.42 1lzxB1 ALA 674 H -0.06 0.53 0.34 -0.55 8.40 8.67 1lzxB1 ALA 674 HA 0.06 0.25 0.85 -0.75 4.34 4.74 1lzxB1 ALA 674 HB3 0.26 -0.01 -0.11 -0.04 1.41 1.51 1lzxB1 ASP 675 H 0.04 0.87 0.16 -0.55 8.40 8.92 1lzxB1 ASP 675 HA 0.12 0.10 0.78 -0.75 4.63 4.87 1lzxB1 ASP 675 HB2 -0.02 0.03 -0.10 -0.04 2.71 2.58 1lzxB1 ASP 675 HB3 0.05 0.04 0.06 -0.04 2.70 2.82 1lzxB1 TRP 676 H 0.33 0.26 0.04 -0.55 7.97 8.06 1lzxB1 TRP 676 HA 0.04 0.07 0.29 -0.75 4.62 4.27 1lzxB1 TRP 676 HB2 0.03 0.04 0.11 -0.04 3.23 3.37 1lzxB1 TRP 676 HB3 0.02 -0.05 0.06 -0.04 3.23 3.22 1lzxB1 TRP 676 HD1 0.02 0.13 0.05 -0.04 7.22 7.38 1lzxB1 TRP 676 HE1 -0.13 0.23 0.02 -0.04 10.20 10.27 1lzxB1 TRP 676 HE3 -0.01 -0.01 -0.49 -0.04 7.59 7.04 1lzxB1 TRP 676 HZ2 -1.14 0.15 0.09 -0.04 7.44 6.50 1lzxB1 TRP 676 HZ3 -0.04 -0.01 -0.09 -0.04 7.13 6.96 1lzxB1 TRP 676 HH2 -0.29 -0.06 -0.05 -0.04 7.19 6.75 1lzxB1 VAL 677 H 0.41 0.09 -0.18 -0.55 8.24 8.00 1lzxB1 VAL 677 HA 0.40 0.04 0.33 -0.75 4.13 4.15 1lzxB1 VAL 677 HB 0.37 0.04 0.02 -0.04 2.12 2.50 1lzxB1 VAL 677 HG13 0.21 0.01 -0.09 -0.04 0.97 1.06 1lzxB1 VAL 677 HG23 0.25 -0.02 -0.08 -0.04 0.95 1.07 1lzxB1 TRP 678 H 0.38 0.14 -0.41 -0.55 7.97 7.53 1lzxB1 TRP 678 HA -0.02 0.14 0.69 -0.75 4.62 4.67 1lzxB1 TRP 678 HB2 0.00 -0.02 0.11 -0.04 3.23 3.29 1lzxB1 TRP 678 HB3 -0.03 0.10 0.01 -0.04 3.23 3.27 1lzxB1 TRP 678 HD1 0.06 -0.09 -0.19 -0.04 7.22 6.96 1lzxB1 TRP 678 HE1 0.07 0.02 -0.08 -0.04 10.20 10.16 1lzxB1 TRP 678 HE3 0.01 0.13 0.03 -0.04 7.59 7.72 1lzxB1 TRP 678 HZ2 0.07 -0.00 -0.01 -0.04 7.44 7.46 1lzxB1 TRP 678 HZ3 0.06 -0.04 -0.02 -0.04 7.13 7.09 1lzxB1 TRP 678 HH2 0.09 -0.03 -0.01 -0.04 7.19 7.19 1lzxB1 ILE 679 H 0.05 0.54 0.07 -0.55 8.25 8.36 1lzxB1 ILE 679 HA -0.15 -0.01 0.34 -0.75 4.18 3.61 1lzxB1 ILE 679 HB -0.22 -0.03 -0.03 -0.04 1.89 1.57 1lzxB1 ILE 679 HG12 -0.04 0.19 -0.06 -0.04 1.49 1.53 1lzxB1 ILE 679 HG13 -0.18 -0.05 -0.18 -0.04 1.21 0.76 1lzxB1 ILE 679 HG23 -0.41 -0.03 -0.19 -0.04 0.93 0.25 1lzxB1 ILE 679 HD13 -0.44 0.03 -0.34 -0.04 0.88 0.09 1lzxB1 VAL 680 H -0.45 0.46 -0.13 -0.55 8.24 7.56 1lzxB1 VAL 680 HA -0.32 -0.05 0.41 -0.75 4.13 3.42 1lzxB1 VAL 680 HB -0.70 0.10 0.01 -0.04 2.12 1.50 1lzxB1 VAL 680 HG13 -0.20 0.02 -0.14 -0.04 0.97 0.61 1lzxB1 VAL 680 HG23 -1.72 -0.03 -0.11 -0.04 0.95 -0.95 1lzxB1 PRO 681 HA -0.16 0.13 0.42 -0.51 4.44 4.32 1lzxB1 PRO 681 HB2 -0.16 0.14 0.06 -0.04 2.28 2.28 1lzxB1 PRO 681 HB3 -0.20 -0.14 0.13 -0.04 2.02 1.76 1lzxB1 PRO 681 HG2 -0.01 -0.03 0.10 -0.04 2.03 2.06 1lzxB1 PRO 681 HG3 -0.06 0.07 0.14 -0.04 2.03 2.14 1lzxB1 PRO 681 HD2 -0.10 0.06 0.21 -0.04 3.68 3.81 1lzxB1 PRO 681 HD3 -0.13 0.20 0.31 -0.04 3.65 3.98 1lzxB1 PRO 682 HA -0.13 0.17 0.42 -0.51 4.44 4.39 1lzxB1 PRO 682 HB2 -0.14 -0.03 0.08 -0.04 2.28 2.15 1lzxB1 PRO 682 HB3 -0.17 0.11 0.10 -0.04 2.02 2.03 1lzxB1 PRO 682 HG2 -0.19 -0.08 -0.02 -0.04 2.03 1.70 1lzxB1 PRO 682 HG3 -0.17 0.03 -0.00 -0.04 2.03 1.84 1lzxB1 PRO 682 HD2 -0.19 -0.04 0.19 -0.04 3.68 3.60 1lzxB1 PRO 682 HD3 -0.18 0.29 0.15 -0.04 3.65 3.87 1lzxB1 MET 683 H -0.20 0.25 -0.62 -0.55 8.47 7.35 1lzxB1 MET 683 HA -0.11 0.12 0.55 -0.75 4.52 4.33 1lzxB1 MET 683 HB2 -0.12 -0.01 0.06 -0.04 2.15 2.04 1lzxB1 MET 683 HB3 -0.16 0.08 -0.21 -0.04 2.03 1.70 1lzxB1 MET 683 HG2 -0.46 -0.08 -0.10 -0.04 2.63 1.95 1lzxB1 MET 683 HG3 -0.35 0.03 -0.34 -0.04 2.56 1.86 1lzxB1 MET 683 HE3 -0.00 0.01 -0.08 -0.04 2.10 1.98 1lzxB1 SER 684 H -0.07 0.17 0.08 -0.55 8.46 8.10 1lzxB1 SER 684 HA -0.03 0.02 0.28 -0.75 4.49 4.01 1lzxB1 SER 684 HB2 0.06 0.12 -0.16 -0.04 3.95 3.93 1lzxB1 SER 684 HB3 0.10 0.01 0.10 -0.04 3.93 4.10 1lzxB1 GLY 685 H -0.08 0.05 -0.49 -0.55 8.43 7.36 1lzxB1 GLY 685 HA2 -0.06 0.16 0.28 -0.51 4.01 3.87 1lzxB1 GLY 685 HA3 -0.06 0.06 0.24 -0.51 4.01 3.75 1lzxB1 SER 686 H -0.44 0.06 -0.13 -0.55 8.46 7.41 1lzxB1 SER 686 HA -0.67 0.14 0.45 -0.75 4.49 3.66 1lzxB1 SER 686 HB2 -0.63 0.05 0.08 -0.04 3.95 3.41 1lzxB1 SER 686 HB3 -1.43 -0.01 0.05 -0.04 3.93 2.50 1lzxB1 ILE 687 H -0.03 0.35 -0.39 -0.55 8.25 7.63 1lzxB1 ILE 687 HA 0.10 0.19 0.82 -0.75 4.18 4.54 1lzxB1 ILE 687 HB 0.08 -0.02 0.17 -0.04 1.89 2.08 1lzxB1 ILE 687 HG12 0.06 0.03 0.06 -0.04 1.49 1.60 1lzxB1 ILE 687 HG13 0.22 0.04 -0.11 -0.04 1.21 1.32 1lzxB1 ILE 687 HG23 0.02 -0.02 -0.07 -0.04 0.93 0.82 1lzxB1 ILE 687 HD13 0.14 -0.03 0.01 -0.04 0.88 0.95 1lzxB1 THR 688 H 0.08 0.41 -0.25 -0.55 8.28 7.97 1lzxB1 THR 688 HA 0.17 0.15 0.86 -0.75 4.39 4.82 1lzxB1 THR 688 HB 0.08 -0.05 0.13 -0.04 4.32 4.44 1lzxB1 THR 688 HG23 0.07 0.03 -0.10 -0.04 1.22 1.17 1lzxB1 PRO 689 HA 0.31 0.08 0.38 -0.51 4.44 4.70 1lzxB1 PRO 689 HB2 0.15 0.05 -0.03 -0.04 2.28 2.40 1lzxB1 PRO 689 HB3 0.13 0.04 0.07 -0.04 2.02 2.22 1lzxB1 PRO 689 HG2 0.14 0.05 -0.16 -0.04 2.03 2.02 1lzxB1 PRO 689 HG3 0.11 0.04 -0.02 -0.04 2.03 2.12 1lzxB1 PRO 689 HD2 0.13 0.07 0.22 -0.04 3.68 4.06 1lzxB1 PRO 689 HD3 0.13 0.18 0.17 -0.04 3.65 4.08 1lzxB1 VAL 690 H 0.12 0.10 -0.29 -0.55 8.24 7.62 1lzxB1 VAL 690 HA 0.16 0.10 0.36 -0.75 4.13 3.99 1lzxB1 VAL 690 HB -0.13 0.05 -0.10 -0.04 2.12 1.89 1lzxB1 VAL 690 HG13 0.17 0.02 -0.03 -0.04 0.97 1.09 1lzxB1 VAL 690 HG23 -0.09 0.02 -0.08 -0.04 0.95 0.76 1lzxB1 PHE 691 H 0.14 0.31 -0.21 -0.55 8.34 8.03 1lzxB1 PHE 691 HA -0.13 0.04 0.32 -0.75 4.62 4.10 1lzxB1 PHE 691 HB2 -0.14 0.13 -0.09 -0.04 3.15 3.01 1lzxB1 PHE 691 HB3 -0.31 0.11 0.05 -0.04 3.06 2.86 1lzxB1 PHE 691 HD2 -0.41 0.03 -0.24 -0.04 7.28 6.63 1lzxB1 PHE 691 HE2 0.11 -0.00 -0.06 -0.04 7.38 7.39 1lzxB1 PHE 691 HZ 0.07 -0.01 -0.04 -0.04 7.32 7.30 1lzxB1 HIS 692 H 0.30 0.25 -0.38 -0.55 8.41 8.03 1lzxB1 HIS 692 HA 0.32 0.12 0.54 -0.75 4.63 4.85 1lzxB1 HIS 692 HB2 0.24 0.12 0.03 -0.04 3.26 3.61 1lzxB1 HIS 692 HB3 0.29 -0.19 0.06 -0.04 3.20 3.32 1lzxB1 HIS 692 HD2 0.21 0.04 -0.07 -0.04 6.97 7.10 1lzxB1 HIS 692 HE1 0.17 -0.05 -0.03 -0.04 7.75 7.81 1lzxB1 GLN 693 H 0.34 0.48 -0.50 -0.55 8.47 8.24 1lzxB1 GLN 693 HA 0.25 -0.01 0.88 -0.75 4.36 4.73 1lzxB1 GLN 693 HB2 0.21 -0.06 -0.00 -0.04 2.15 2.25 1lzxB1 GLN 693 HB3 0.25 0.11 0.13 -0.04 2.02 2.47 1lzxB1 GLN 693 HG2 0.17 -0.07 -0.11 -0.04 2.40 2.35 1lzxB1 GLN 693 HG3 0.20 0.24 -0.39 -0.04 2.39 2.40 1lzxB1 GLN 693 HE21 -0.04 -0.09 -0.25 -0.04 6.97 6.55 1lzxB1 GLN 693 HE22 0.05 0.47 -0.08 -0.04 7.69 8.09 1lzxB1 GLU 694 H 0.21 0.37 0.22 -0.55 8.60 8.86 1lzxB1 GLU 694 HA 0.14 0.05 0.59 -0.75 4.29 4.32 1lzxB1 GLU 694 HB2 0.13 -0.16 0.23 -0.04 2.09 2.24 1lzxB1 GLU 694 HB3 0.12 0.03 0.11 -0.04 1.99 2.21 1lzxB1 GLU 694 HG2 0.21 -0.01 0.08 -0.04 2.34 2.57 1lzxB1 GLU 694 HG3 0.44 0.21 0.19 -0.04 2.34 3.15 1lzxB1 MET 695 H 0.14 0.17 0.24 -0.55 8.47 8.47 1lzxB1 MET 695 HA 0.20 0.19 0.85 -0.75 4.52 5.01 1lzxB1 MET 695 HB2 0.30 -0.13 -0.01 -0.04 2.15 2.27 1lzxB1 MET 695 HB3 0.21 0.10 -0.00 -0.04 2.03 2.30 1lzxB1 MET 695 HG2 0.29 0.06 -0.18 -0.04 2.63 2.75 1lzxB1 MET 695 HG3 0.38 0.15 -0.62 -0.04 2.56 2.42 1lzxB1 MET 695 HE3 0.14 0.01 -0.10 -0.04 2.10 2.10 1lzxB1 LEU 696 H 0.16 0.29 0.18 -0.55 8.37 8.46 1lzxB1 LEU 696 HA 0.11 0.14 0.93 -0.75 4.35 4.77 1lzxB1 LEU 696 HB2 0.24 -0.02 0.07 -0.04 1.64 1.88 1lzxB1 LEU 696 HB3 0.27 0.03 -0.07 -0.04 1.64 1.83 1lzxB1 LEU 696 HG 0.15 -0.03 -0.31 -0.04 1.64 1.40 1lzxB1 LEU 696 HD13 0.08 -0.00 -0.13 -0.04 0.93 0.84 1lzxB1 LEU 696 HD23 0.05 0.04 -0.03 -0.04 0.89 0.91 1lzxB1 ASN 697 H 0.09 0.17 0.15 -0.55 8.53 8.39 1lzxB1 ASN 697 HA -0.11 0.09 1.01 -0.75 4.76 5.00 1lzxB1 ASN 697 HB2 0.05 0.08 0.02 -0.04 2.88 2.99 1lzxB1 ASN 697 HB3 0.05 -0.05 0.12 -0.04 2.79 2.87 1lzxB1 ASN 697 HD21 -0.03 0.04 -0.10 -0.04 7.03 6.90 1lzxB1 ASN 697 HD22 0.03 -0.04 -0.03 -0.04 7.74 7.66 1lzxB1 TYR 698 H -0.33 0.34 0.20 -0.55 8.29 7.95 1lzxB1 TYR 698 HA 0.01 0.10 0.46 -0.75 4.56 4.37 1lzxB1 TYR 698 HB2 0.01 0.05 0.01 -0.04 3.06 3.09 1lzxB1 TYR 698 HB3 0.02 0.08 -0.07 -0.04 2.98 2.97 1lzxB1 TYR 698 HD2 0.01 0.02 -0.47 -0.04 7.15 6.66 1lzxB1 TYR 698 HE2 -0.02 0.03 -0.25 -0.04 6.85 6.57 1lzxB1 ARG 699 H 0.14 0.22 0.04 -0.55 8.46 8.30 1lzxB1 ARG 699 HA 0.01 0.23 1.04 -0.75 4.34 4.86 1lzxB1 ARG 699 HB2 0.03 -0.03 0.04 -0.04 1.90 1.91 1lzxB1 ARG 699 HB3 -0.00 0.04 -0.05 -0.04 1.80 1.74 1lzxB1 ARG 699 HG2 -0.04 0.04 -0.07 -0.04 1.67 1.57 1lzxB1 ARG 699 HG3 0.01 -0.13 -0.28 -0.04 1.67 1.23 1lzxB1 ARG 699 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.11 1lzxB1 ARG 699 HD3 0.01 0.35 -0.07 -0.04 3.22 3.48 1lzxB1 LEU 700 H 0.01 0.31 0.23 -0.55 8.37 8.37 1lzxB1 LEU 700 HA 0.04 0.11 0.87 -0.75 4.35 4.61 1lzxB1 LEU 700 HB2 -0.00 0.06 0.03 -0.04 1.64 1.69 1lzxB1 LEU 700 HB3 0.02 0.09 0.02 -0.04 1.64 1.73 1lzxB1 LEU 700 HG 0.22 -0.08 -0.27 -0.04 1.64 1.47 1lzxB1 LEU 700 HD13 0.07 0.00 -0.11 -0.04 0.93 0.85 1lzxB1 LEU 700 HD23 0.09 0.02 -0.25 -0.04 0.89 0.71 1lzxB1 THR 701 H 0.01 0.19 0.18 -0.55 8.28 8.12 1lzxB1 THR 701 HA -0.04 0.20 0.48 -0.75 4.39 4.27 1lzxB1 THR 701 HB -0.02 -0.07 0.03 -0.04 4.32 4.22 1lzxB1 THR 701 HG23 -0.02 -0.01 -0.18 -0.04 1.22 0.97 1lzxB1 PRO 702 HA -0.07 0.05 0.45 -0.51 4.44 4.36 1lzxB1 PRO 702 HB2 -0.15 0.06 0.01 -0.04 2.28 2.17 1lzxB1 PRO 702 HB3 -0.13 -0.13 0.30 -0.04 2.02 2.02 1lzxB1 PRO 702 HG2 0.03 -0.00 -0.02 -0.04 2.03 2.00 1lzxB1 PRO 702 HG3 0.15 -0.04 0.17 -0.04 2.03 2.27 1lzxB1 PRO 702 HD2 0.11 0.19 0.52 -0.04 3.68 4.46 1lzxB1 PRO 702 HD3 0.27 -0.07 0.12 -0.04 3.65 3.93 1lzxB1 SER 703 H -0.18 0.39 0.35 -0.55 8.46 8.48 1lzxB1 SER 703 HA -0.21 0.16 0.65 -0.75 4.49 4.34 1lzxB1 SER 703 HB2 -0.09 0.01 0.12 -0.04 3.95 3.95 1lzxB1 SER 703 HB3 -0.08 0.49 -0.03 -0.04 3.93 4.27 1lzxB1 PHE 704 H -0.04 0.23 0.18 -0.55 8.34 8.16 1lzxB1 PHE 704 HA -0.06 0.27 0.89 -0.75 4.62 4.95 1lzxB1 PHE 704 HB2 -0.17 -0.03 0.09 -0.04 3.15 3.00 1lzxB1 PHE 704 HB3 -0.09 -0.00 -0.07 -0.04 3.06 2.85 1lzxB1 PHE 704 HD2 -0.11 0.06 -0.24 -0.04 7.28 6.96 1lzxB1 PHE 704 HE2 -0.14 0.04 -0.19 -0.04 7.38 7.04 1lzxB1 PHE 704 HZ -0.27 0.01 -0.12 -0.04 7.32 6.90 1lzxB1 GLU 705 H 0.07 0.76 0.37 -0.55 8.60 9.25 1lzxB1 GLU 705 HA -0.20 0.16 0.98 -0.75 4.29 4.48 1lzxB1 GLU 705 HB2 -0.01 -0.01 -0.03 -0.04 2.09 2.01 1lzxB1 GLU 705 HB3 -0.04 0.07 0.07 -0.04 1.99 2.05 1lzxB1 GLU 705 HG2 -0.06 -0.03 -0.43 -0.04 2.34 1.79 1lzxB1 GLU 705 HG3 -0.04 -0.03 -0.15 -0.04 2.34 2.09 1lzxB1 TYR 706 H -0.13 0.12 0.15 -0.55 8.29 7.89 1lzxB1 TYR 706 HA -0.00 0.10 0.62 -0.75 4.56 4.52 1lzxB1 TYR 706 HB2 -0.02 0.00 0.04 -0.04 3.06 3.04 1lzxB1 TYR 706 HB3 -0.03 0.03 0.04 -0.04 2.98 2.98 1lzxB1 TYR 706 HD2 -0.02 0.02 -0.01 -0.04 7.15 7.10 1lzxB1 TYR 706 HE2 -0.07 0.07 0.01 -0.04 6.85 6.82 1lzxB1 GLN 707 H 0.08 0.35 0.22 -0.55 8.47 8.57 1lzxB1 GLN 707 HA 0.00 0.10 0.56 -0.75 4.36 4.27 1lzxB1 GLN 707 HB2 -0.04 0.01 0.04 -0.04 2.15 2.12 1lzxB1 GLN 707 HB3 0.01 -0.01 -0.20 -0.04 2.02 1.78 1lzxB1 GLN 707 HG2 0.01 0.11 0.01 -0.04 2.40 2.48 1lzxB1 GLN 707 HG3 -0.09 0.07 -0.18 -0.04 2.39 2.15 1lzxB1 GLN 707 HE21 0.04 0.41 -0.03 -0.04 6.97 7.35 1lzxB1 GLN 707 HE22 0.01 0.10 -0.44 -0.04 7.69 7.32 1lzxB1 PRO 708 HA -0.17 -0.01 0.50 -0.51 4.44 4.25 1lzxB1 PRO 708 HB2 -0.19 0.08 -0.05 -0.04 2.28 2.08 1lzxB1 PRO 708 HB3 -0.11 -0.00 0.07 -0.04 2.02 1.94 1lzxB1 PRO 708 HG2 -0.14 0.04 -0.02 -0.04 2.03 1.87 1lzxB1 PRO 708 HG3 -0.08 0.05 0.01 -0.04 2.03 1.96 1lzxB1 PRO 708 HD2 -0.06 0.10 0.17 -0.04 3.68 3.85 1lzxB1 PRO 708 HD3 -0.05 0.11 0.11 -0.04 3.65 3.78 1lzxB1 ASP 709 H -0.40 0.04 0.17 -0.55 8.40 7.67 1lzxB1 ASP 709 HA -0.74 0.20 0.45 -0.75 4.63 3.78 1lzxB1 ASP 709 HB2 -1.17 -0.05 0.13 -0.04 2.71 1.57 1lzxB1 ASP 709 HB3 -3.16 -0.06 0.06 -0.04 2.70 -0.50 1lzxB1 PRO 710 HA -0.53 0.11 0.40 -0.51 4.44 3.92 1lzxB1 PRO 710 HB2 -1.78 0.01 -0.06 -0.04 2.28 0.40 1lzxB1 PRO 710 HB3 -0.71 0.10 0.03 -0.04 2.02 1.40 1lzxB1 PRO 710 HG2 -1.44 -0.07 0.09 -0.04 2.03 0.56 1lzxB1 PRO 710 HG3 -1.04 0.07 0.01 -0.04 2.03 1.04 1lzxB1 PRO 710 HD2 -1.02 0.06 0.26 -0.04 3.68 2.93 1lzxB1 PRO 710 HD3 -0.56 0.29 0.20 -0.04 3.65 3.54 1lzxB1 TRP 711 H -0.95 0.14 -0.20 -0.55 7.97 6.41 1lzxB1 TRP 711 HA -0.17 0.11 0.37 -0.75 4.62 4.17 1lzxB1 TRP 711 HB2 0.25 0.05 0.06 -0.04 3.23 3.55 1lzxB1 TRP 711 HB3 0.16 0.00 0.05 -0.04 3.23 3.39 1lzxB1 TRP 711 HD1 0.06 0.05 -0.26 -0.04 7.22 7.03 1lzxB1 TRP 711 HE1 0.04 -0.00 -0.06 -0.04 10.20 10.14 1lzxB1 TRP 711 HE3 0.03 -0.01 0.02 -0.04 7.59 7.59 1lzxB1 TRP 711 HZ2 0.05 -0.01 0.01 -0.04 7.44 7.44 1lzxB1 TRP 711 HZ3 0.17 0.27 0.07 -0.04 7.13 7.60 1lzxB1 TRP 711 HH2 0.04 0.00 0.04 -0.04 7.19 7.24 1lzxB1 ASN 712 H -0.52 0.34 -0.59 -0.55 8.53 7.21 1lzxB1 ASN 712 HA 0.09 0.15 0.69 -0.75 4.76 4.94 1lzxB1 ASN 712 HB2 -0.28 0.18 0.01 -0.04 2.88 2.75 1lzxB1 ASN 712 HB3 -0.07 -0.01 0.04 -0.04 2.79 2.71 1lzxB1 ASN 712 HD21 -0.05 -0.03 -0.01 -0.04 7.03 6.89 1lzxB1 ASN 712 HD22 -0.39 -0.01 0.04 -0.04 7.74 7.34 1lzxB1 THR 713 H -0.16 0.24 -0.15 -0.55 8.28 7.66 1lzxB1 THR 713 HA -0.02 0.23 1.00 -0.75 4.39 4.84 1lzxB1 THR 713 HB -0.06 -0.02 0.03 -0.04 4.32 4.23 1lzxB1 THR 713 HG23 -0.11 -0.00 -0.20 -0.04 1.22 0.86 1lzxB1 HIS 714 H -0.00 0.48 0.13 -0.55 8.41 8.48 1lzxB1 HIS 714 HA -0.09 0.02 0.36 -0.75 4.63 4.16 1lzxB1 HIS 714 HB2 -0.11 -0.00 0.01 -0.04 3.26 3.11 1lzxB1 HIS 714 HB3 -0.08 -0.04 -0.03 -0.04 3.20 3.01 1lzxB1 HIS 714 HD2 -2.04 -0.08 -0.30 -0.04 6.97 4.51 1lzxB1 HIS 714 HE1 -0.17 0.28 -0.33 -0.04 7.75 7.48 1lzxB1 VAL 715 H -0.58 0.17 0.12 -0.55 8.24 7.41 1lzxB1 VAL 715 HA -0.08 0.11 0.76 -0.75 4.13 4.17 1lzxB1 VAL 715 HB -0.23 -0.00 0.19 -0.04 2.12 2.03 1lzxB1 VAL 715 HG13 -0.05 0.00 -0.11 -0.04 0.97 0.77 1lzxB1 VAL 715 HG23 -0.06 0.02 0.01 -0.04 0.95 0.87 1lzxB1 TRP 716 H 0.27 0.16 0.07 -0.55 7.97 7.92 1lzxB1 TRP 716 HA 0.02 0.04 0.44 -0.75 4.62 4.37 1lzxB1 TRP 716 HB2 0.04 -0.03 0.08 -0.04 3.23 3.28 1lzxB1 TRP 716 HB3 0.06 0.07 0.00 -0.04 3.23 3.32 1lzxB1 TRP 716 HD1 0.12 0.06 0.02 -0.04 7.22 7.37 1lzxB1 TRP 716 HE1 0.35 0.06 -0.03 -0.04 10.20 10.53 1lzxB1 TRP 716 HE3 0.09 0.02 0.02 -0.04 7.59 7.68 1lzxB1 TRP 716 HZ2 0.48 -0.04 -0.04 -0.04 7.44 7.80 1lzxB1 TRP 716 HZ3 -0.07 0.05 0.00 -0.04 7.13 7.07 1lzxB1 TRP 716 HH2 -0.16 -0.01 -0.04 -0.04 7.19 6.94 1lzxB1 LYS 717 H 0.21 0.09 0.11 -0.55 8.42 8.28 1lzxB1 LYS 717 HA 0.06 0.23 0.57 -0.75 4.32 4.43 1lzxB1 LYS 717 HB2 0.08 -0.04 0.15 -0.04 1.87 2.01 1lzxB1 LYS 717 HB3 0.04 0.01 0.10 -0.04 1.79 1.90 1lzxB1 LYS 717 HG2 0.02 0.01 0.10 -0.04 1.46 1.55 1lzxB1 LYS 717 HG3 0.01 -0.04 0.09 -0.04 1.46 1.48 1lzxB1 LYS 717 HD2 -0.02 -0.06 -0.00 -0.04 1.69 1.57 1lzxB1 LYS 717 HD3 -0.04 0.06 -0.25 -0.04 1.68 1.41 1lzxB1 LYS 717 HE2 -0.12 0.20 0.07 -0.04 2.99 3.10 1lzxB1 LYS 717 HE3 -0.07 -0.02 0.04 -0.04 2.99 2.89