============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 38.346 33.552 129.060 -99.200 -91.000 PHE 14 1.000 32.009 33.213 149.104 -99.200 -91.000 PHE 34 1.000 17.897 44.437 151.375 -99.200 -91.000 HIS 37 0.900 13.165 54.678 141.966 -99.200 -91.000 TYR 38 0.840 19.197 50.304 142.576 -99.200 -91.000 TYR 41 0.840 23.077 54.648 131.512 -99.200 -91.000 TRP 46 1.040 22.113 56.224 136.242 -99.200 -91.000 TRP6 46 1.020 21.526 53.934 136.318 -99.200 -91.000 TRP 84 1.040 17.945 52.239 115.237 -99.200 -91.000 TRP6 84 1.020 19.251 50.934 113.757 -99.200 -91.000 PHE 87 1.000 24.857 50.547 113.797 -99.200 -91.000 TRP 90 1.040 29.387 50.764 119.908 -99.200 -91.000 TRP6 90 1.020 31.099 51.127 121.496 -99.200 -91.000 TRP 93 1.040 33.777 54.508 119.321 -99.200 -91.000 TRP6 93 1.020 34.554 54.368 121.550 -99.200 -91.000 TYR 122 0.840 20.688 40.098 151.728 -99.200 -91.000 TRP 128 1.040 26.927 33.121 151.421 -99.200 -91.000 TRP6 128 1.020 28.619 33.591 153.000 -99.200 -91.000 PHE 141 1.000 28.638 34.812 129.076 -99.200 -91.000 TYR 144 0.840 35.486 33.414 124.464 -99.200 -91.000 TYR 145 0.840 30.673 37.004 124.423 -99.200 -91.000 TYR 152 0.840 34.084 37.258 114.456 -99.200 -91.000 TYR 154 0.840 39.016 47.492 106.709 -99.200 -91.000 TYR 162 0.840 39.471 38.263 88.179 -99.200 -91.000 PHE 170 1.000 34.400 46.110 104.696 -99.200 -91.000 TYR 171 0.840 32.996 38.768 109.165 -99.200 -91.000 TRP 183 1.040 13.227 34.235 136.460 -99.200 -91.000 TRP6 183 1.020 13.792 32.393 137.833 -99.200 -91.000 PHE 185 1.000 22.761 30.831 135.691 -99.200 -91.000 PHE 190 1.000 21.126 43.112 132.458 -99.200 -91.000 PHE 220 1.000 22.357 48.887 131.332 -99.200 -91.000 PHE 223 1.000 27.002 46.974 130.970 -99.200 -91.000 HIS 224 0.900 27.068 56.920 134.023 -99.200 -91.000 PHE 228 1.000 30.307 49.718 127.314 -99.200 -91.000 PHE 235 1.000 18.170 48.590 134.291 -99.200 -91.000 TYR 246 0.840 6.952 50.498 120.978 -99.200 -91.000 HIS 250 0.900 10.059 50.366 116.537 -99.200 -91.000 PHE 255 1.000 21.049 43.179 117.835 -99.200 -91.000 PHE 258 1.000 13.270 34.701 125.310 -99.200 -91.000 TYR 269 0.840 13.136 31.423 114.981 -99.200 -91.000 TRP 281 1.040 15.715 45.311 109.962 -99.200 -91.000 TRP6 281 1.020 16.343 47.558 110.348 -99.200 -91.000 PHE 282 1.000 14.082 39.145 104.384 -99.200 -91.000 TYR 286 0.840 20.920 36.956 117.189 -99.200 -91.000 PHE 303 1.000 26.676 1.876 140.595 -99.200 -91.000 TYR 315 0.840 17.470 17.904 144.123 -99.200 -91.000 PHE 317 1.000 18.889 30.411 141.339 -99.200 -91.000 TYR 335 0.840 15.281 2.265 139.889 -99.200 -91.000 TYR 375 0.840 5.059 21.552 135.370 -99.200 -91.000 TYR 397 0.840 7.991 33.498 147.378 -99.200 -91.000 PHE 398 1.000 12.785 29.632 152.781 -99.200 -91.000 PHE 404 1.000 6.933 13.618 141.795 -99.200 -91.000 PHE 419 1.000 14.355 27.618 134.840 -99.200 -91.000 PHE 431 1.000 25.035 4.464 127.207 -99.200 -91.000 TYR 443 0.840 12.401 21.852 126.310 -99.200 -91.000 TYR 450 0.840 28.229 11.228 136.835 -99.200 -91.000 HIS 456 0.900 27.637 1.283 127.572 -99.200 -91.000 TRP 459 1.040 25.608 4.434 121.186 -99.200 -91.000 TRP6 459 1.020 24.766 2.450 122.163 -99.200 -91.000 PHE 464 1.000 22.322 12.476 126.547 -99.200 -91.000 HIS 465 0.900 20.688 16.195 118.032 -99.200 -91.000 TYR 470 0.840 28.552 19.733 130.547 -99.200 -91.000 PHE 471 1.000 30.557 11.695 127.384 -99.200 -91.000 PHE 485 1.000 24.258 26.608 128.314 -99.200 -91.000 PHE 488 1.000 22.727 19.969 119.084 -99.200 -91.000 TYR 502 0.840 26.418 35.194 121.944 -99.200 -91.000 PHE 506 1.000 24.604 38.963 118.662 -99.200 -91.000 PHE 516 1.000 43.868 48.419 92.445 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uzbB1 MET 1 HA 0.01 -0.08 0.21 -0.75 4.52 3.91 1uzbB1 THR 2 H 0.01 0.08 0.09 -0.55 8.28 7.92 1uzbB1 THR 2 HA 0.01 0.23 0.90 -0.75 4.39 4.77 1uzbB1 THR 2 HB 0.01 -0.03 0.13 -0.04 4.32 4.39 1uzbB1 THR 2 HG23 0.01 0.01 -0.10 -0.04 1.22 1.09 1uzbB1 VAL 3 H 0.02 0.13 -0.00 -0.55 8.24 7.84 1uzbB1 VAL 3 HA 0.01 0.16 0.79 -0.75 4.13 4.34 1uzbB1 VAL 3 HB 0.03 -0.01 0.07 -0.04 2.12 2.16 1uzbB1 VAL 3 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.79 1uzbB1 VAL 3 HG23 0.03 0.01 -0.11 -0.04 0.95 0.85 1uzbB1 GLU 4 H 0.01 0.06 0.07 -0.55 8.60 8.19 1uzbB1 GLU 4 HA 0.01 0.08 0.37 -0.75 4.29 3.99 1uzbB1 GLU 4 HB2 -0.00 -0.05 0.05 -0.04 2.09 2.04 1uzbB1 GLU 4 HB3 -0.01 0.12 0.01 -0.04 1.99 2.08 1uzbB1 GLU 4 HG2 -0.00 0.02 0.02 -0.04 2.34 2.34 1uzbB1 GLU 4 HG3 -0.00 -0.04 0.03 -0.04 2.34 2.28 1uzbB1 PRO 5 HA 0.06 0.04 0.43 -0.51 4.44 4.45 1uzbB1 PRO 5 HB2 0.03 0.01 -0.01 -0.04 2.28 2.27 1uzbB1 PRO 5 HB3 0.05 0.02 0.08 -0.04 2.02 2.13 1uzbB1 PRO 5 HG2 0.02 -0.00 0.06 -0.04 2.03 2.06 1uzbB1 PRO 5 HG3 0.02 0.08 0.06 -0.04 2.03 2.16 1uzbB1 PRO 5 HD2 0.00 0.05 0.15 -0.04 3.68 3.84 1uzbB1 PRO 5 HD3 0.01 0.12 0.17 -0.04 3.65 3.91 1uzbB1 PHE 6 H 0.19 0.06 0.12 -0.55 8.34 8.16 1uzbB1 PHE 6 HA 0.01 0.06 0.33 -0.75 4.62 4.26 1uzbB1 PHE 6 HB2 0.00 0.05 0.05 -0.04 3.15 3.20 1uzbB1 PHE 6 HB3 0.04 -0.03 0.05 -0.04 3.06 3.08 1uzbB1 PHE 6 HD2 0.07 0.01 -0.30 -0.04 7.28 7.02 1uzbB1 PHE 6 HE2 0.02 0.03 -0.10 -0.04 7.38 7.28 1uzbB1 PHE 6 HZ -0.07 -0.10 -0.14 -0.04 7.32 6.96 1uzbB1 ARG 7 H -0.77 0.27 0.16 -0.55 8.46 7.57 1uzbB1 ARG 7 HA -0.30 0.10 0.65 -0.75 4.34 4.04 1uzbB1 ARG 7 HB2 -0.23 -0.03 -0.04 -0.04 1.90 1.56 1uzbB1 ARG 7 HB3 -0.18 -0.00 0.01 -0.04 1.80 1.58 1uzbB1 ARG 7 HG2 -0.09 0.11 -0.19 -0.04 1.67 1.46 1uzbB1 ARG 7 HG3 -0.10 0.18 -0.26 -0.04 1.67 1.44 1uzbB1 ARG 7 HD2 -0.07 -0.04 -0.03 -0.04 3.22 3.04 1uzbB1 ARG 7 HD3 -0.05 -0.01 -0.07 -0.04 3.22 3.05 1uzbB1 ASN 8 H -0.24 0.11 0.06 -0.55 8.53 7.91 1uzbB1 ASN 8 HA -0.32 0.06 0.53 -0.75 4.76 4.27 1uzbB1 ASN 8 HB2 -0.08 -0.03 0.02 -0.04 2.88 2.75 1uzbB1 ASN 8 HB3 -0.08 0.05 -0.03 -0.04 2.79 2.69 1uzbB1 ASN 8 HD21 0.12 0.44 0.00 -0.04 7.03 7.55 1uzbB1 ASN 8 HD22 0.03 -0.09 0.04 -0.04 7.74 7.68 1uzbB1 GLU 9 H -0.12 0.09 0.13 -0.55 8.60 8.15 1uzbB1 GLU 9 HA -0.10 0.11 0.43 -0.75 4.29 3.98 1uzbB1 GLU 9 HB2 -0.07 0.01 0.12 -0.04 2.09 2.10 1uzbB1 GLU 9 HB3 -0.07 -0.03 0.16 -0.04 1.99 2.02 1uzbB1 GLU 9 HG2 -0.04 -0.08 0.02 -0.04 2.34 2.20 1uzbB1 GLU 9 HG3 -0.06 0.18 -0.15 -0.04 2.34 2.26 1uzbB1 PRO 10 HA -0.06 0.03 0.42 -0.51 4.44 4.32 1uzbB1 PRO 10 HB2 -0.07 -0.06 -0.01 -0.04 2.28 2.10 1uzbB1 PRO 10 HB3 -0.06 0.01 0.02 -0.04 2.02 1.94 1uzbB1 PRO 10 HG2 -0.06 -0.00 0.05 -0.04 2.03 1.97 1uzbB1 PRO 10 HG3 -0.07 0.09 0.04 -0.04 2.03 2.05 1uzbB1 PRO 10 HD2 -0.07 0.03 0.18 -0.04 3.68 3.78 1uzbB1 PRO 10 HD3 -0.09 0.27 0.24 -0.04 3.65 4.03 1uzbB1 ILE 11 H -0.05 0.14 0.11 -0.55 8.25 7.90 1uzbB1 ILE 11 HA -0.05 0.11 0.59 -0.75 4.18 4.08 1uzbB1 ILE 11 HB -0.03 -0.03 0.08 -0.04 1.89 1.88 1uzbB1 ILE 11 HG12 -0.03 0.02 -0.06 -0.04 1.49 1.38 1uzbB1 ILE 11 HG13 -0.05 0.07 -0.01 -0.04 1.21 1.18 1uzbB1 ILE 11 HG23 0.01 0.01 -0.22 -0.04 0.93 0.69 1uzbB1 ILE 11 HD13 -0.03 -0.00 -0.02 -0.04 0.88 0.79 1uzbB1 GLU 12 H -0.12 0.16 0.09 -0.55 8.60 8.19 1uzbB1 GLU 12 HA -0.23 0.00 0.42 -0.75 4.29 3.73 1uzbB1 GLU 12 HB2 -0.32 0.10 0.08 -0.04 2.09 1.91 1uzbB1 GLU 12 HB3 -0.51 0.03 0.09 -0.04 1.99 1.56 1uzbB1 GLU 12 HG2 -1.05 0.08 -0.02 -0.04 2.34 1.31 1uzbB1 GLU 12 HG3 -2.07 -0.04 -0.22 -0.04 2.34 -0.03 1uzbB1 THR 13 H -0.18 0.04 0.21 -0.55 8.28 7.80 1uzbB1 THR 13 HA 0.11 0.24 0.76 -0.75 4.39 4.74 1uzbB1 THR 13 HB 0.05 0.06 0.06 -0.04 4.32 4.44 1uzbB1 THR 13 HG23 -0.01 0.06 -0.04 -0.04 1.22 1.19 1uzbB1 PHE 14 H -0.35 -0.03 0.01 -0.55 8.34 7.41 1uzbB1 PHE 14 HA 0.10 -0.11 0.27 -0.75 4.62 4.12 1uzbB1 PHE 14 HB2 0.22 0.27 -0.02 -0.04 3.15 3.58 1uzbB1 PHE 14 HB3 0.33 0.01 0.08 -0.04 3.06 3.43 1uzbB1 PHE 14 HD2 0.17 0.05 -0.46 -0.04 7.28 7.01 1uzbB1 PHE 14 HE2 -0.03 0.07 -0.18 -0.04 7.38 7.20 1uzbB1 PHE 14 HZ -0.09 0.01 -0.06 -0.04 7.32 7.14 1uzbB1 GLN 15 H 0.04 -0.03 -0.10 -0.55 8.47 7.84 1uzbB1 GLN 15 HA 0.07 0.26 0.62 -0.75 4.36 4.56 1uzbB1 GLN 15 HB2 0.02 -0.07 -0.00 -0.04 2.15 2.05 1uzbB1 GLN 15 HB3 0.02 0.04 0.07 -0.04 2.02 2.12 1uzbB1 GLN 15 HG2 0.04 -0.10 -0.21 -0.04 2.40 2.09 1uzbB1 GLN 15 HG3 0.02 0.02 -0.03 -0.04 2.39 2.35 1uzbB1 GLN 15 HE21 0.04 0.01 -0.06 -0.04 6.97 6.92 1uzbB1 GLN 15 HE22 0.09 0.24 -0.18 -0.04 7.69 7.80 1uzbB1 THR 16 H 0.06 -0.08 -0.10 -0.55 8.28 7.60 1uzbB1 THR 16 HA 0.03 0.31 0.88 -0.75 4.39 4.86 1uzbB1 THR 16 HB 0.02 -0.02 0.11 -0.04 4.32 4.39 1uzbB1 THR 16 HG23 0.00 0.04 -0.04 -0.04 1.22 1.17 1uzbB1 GLU 17 H 0.04 0.22 0.15 -0.55 8.60 8.46 1uzbB1 GLU 17 HA 0.07 0.17 0.42 -0.75 4.29 4.19 1uzbB1 GLU 17 HB2 0.03 0.09 0.13 -0.04 2.09 2.30 1uzbB1 GLU 17 HB3 0.03 -0.03 0.14 -0.04 1.99 2.08 1uzbB1 GLU 17 HG2 0.03 0.06 -0.00 -0.04 2.34 2.38 1uzbB1 GLU 17 HG3 0.04 -0.02 -0.20 -0.04 2.34 2.12 1uzbB1 GLU 18 H 0.03 0.10 -0.07 -0.55 8.60 8.12 1uzbB1 GLU 18 HA 0.03 0.12 0.38 -0.75 4.29 4.07 1uzbB1 GLU 18 HB2 0.01 0.07 0.09 -0.04 2.09 2.22 1uzbB1 GLU 18 HB3 0.01 -0.07 0.07 -0.04 1.99 1.96 1uzbB1 GLU 18 HG2 -0.00 0.06 -0.04 -0.04 2.34 2.32 1uzbB1 GLU 18 HG3 0.00 -0.00 -0.31 -0.04 2.34 1.99 1uzbB1 ALA 19 H 0.05 0.03 -0.34 -0.55 8.40 7.59 1uzbB1 ALA 19 HA 0.04 0.09 0.39 -0.75 4.34 4.11 1uzbB1 ALA 19 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 1uzbB1 ARG 20 H 0.19 0.41 -0.20 -0.55 8.46 8.31 1uzbB1 ARG 20 HA 0.44 0.05 0.45 -0.75 4.34 4.52 1uzbB1 ARG 20 HB2 0.16 0.06 0.14 -0.04 1.90 2.22 1uzbB1 ARG 20 HB3 0.26 0.00 0.03 -0.04 1.80 2.06 1uzbB1 ARG 20 HG2 0.39 0.01 0.04 -0.04 1.67 2.07 1uzbB1 ARG 20 HG3 0.26 0.06 -0.02 -0.04 1.67 1.93 1uzbB1 ARG 20 HD2 0.10 -0.09 -0.12 -0.04 3.22 3.07 1uzbB1 ARG 20 HD3 0.09 -0.02 -0.02 -0.04 3.22 3.23 1uzbB1 ARG 21 H 0.10 0.61 -0.08 -0.55 8.46 8.54 1uzbB1 ARG 21 HA 0.06 0.04 0.42 -0.75 4.34 4.10 1uzbB1 ARG 21 HB2 0.05 0.02 0.09 -0.04 1.90 2.02 1uzbB1 ARG 21 HB3 0.04 0.06 0.16 -0.04 1.80 2.02 1uzbB1 ARG 21 HG2 0.02 -0.02 -0.16 -0.04 1.67 1.46 1uzbB1 ARG 21 HG3 0.03 -0.00 0.02 -0.04 1.67 1.67 1uzbB1 ARG 21 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 1uzbB1 ARG 21 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.14 1uzbB1 ALA 22 H 0.05 0.62 -0.10 -0.55 8.40 8.42 1uzbB1 ALA 22 HA -0.01 0.02 0.41 -0.75 4.34 4.02 1uzbB1 ALA 22 HB3 0.01 0.02 0.11 -0.04 1.41 1.50 1uzbB1 MET 23 H -0.01 0.46 -0.24 -0.55 8.47 8.13 1uzbB1 MET 23 HA -0.23 -0.00 0.50 -0.75 4.52 4.03 1uzbB1 MET 23 HB2 -0.34 -0.01 0.11 -0.04 2.15 1.88 1uzbB1 MET 23 HB3 -0.65 0.14 0.18 -0.04 2.03 1.65 1uzbB1 MET 23 HG2 -3.20 -0.00 -0.02 -0.04 2.63 -0.63 1uzbB1 MET 23 HG3 -1.40 0.03 -0.18 -0.04 2.56 0.96 1uzbB1 MET 23 HE3 -0.87 -0.00 -0.06 -0.04 2.10 1.13 1uzbB1 ARG 24 H -0.07 0.61 -0.03 -0.55 8.46 8.42 1uzbB1 ARG 24 HA -0.05 0.02 0.42 -0.75 4.34 3.98 1uzbB1 ARG 24 HB2 0.03 0.10 0.18 -0.04 1.90 2.18 1uzbB1 ARG 24 HB3 0.04 -0.04 0.04 -0.04 1.80 1.79 1uzbB1 ARG 24 HG2 0.19 -0.02 0.06 -0.04 1.67 1.85 1uzbB1 ARG 24 HG3 0.17 0.24 0.10 -0.04 1.67 2.14 1uzbB1 ARG 24 HD2 0.08 -0.02 0.00 -0.04 3.22 3.25 1uzbB1 ARG 24 HD3 0.14 -0.01 -0.02 -0.04 3.22 3.29 1uzbB1 GLU 25 H -0.03 0.52 -0.23 -0.55 8.60 8.31 1uzbB1 GLU 25 HA -0.02 0.03 0.47 -0.75 4.29 4.02 1uzbB1 GLU 25 HB2 -0.02 0.10 0.15 -0.04 2.09 2.28 1uzbB1 GLU 25 HB3 -0.02 -0.03 -0.00 -0.04 1.99 1.90 1uzbB1 GLU 25 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 1uzbB1 GLU 25 HG3 -0.00 0.13 0.03 -0.04 2.34 2.46 1uzbB1 ALA 26 H -0.08 0.46 -0.18 -0.55 8.40 8.05 1uzbB1 ALA 26 HA -0.05 0.01 0.41 -0.75 4.34 3.96 1uzbB1 ALA 26 HB3 -0.10 0.03 -0.02 -0.04 1.41 1.28 1uzbB1 LEU 27 H -0.12 0.67 -0.06 -0.55 8.37 8.31 1uzbB1 LEU 27 HA 0.05 0.00 0.44 -0.75 4.35 4.09 1uzbB1 LEU 27 HB2 -0.03 0.12 0.17 -0.04 1.64 1.86 1uzbB1 LEU 27 HB3 0.11 -0.04 0.03 -0.04 1.64 1.69 1uzbB1 LEU 27 HG -0.35 0.07 0.07 -0.04 1.64 1.39 1uzbB1 LEU 27 HD13 -0.17 -0.02 -0.03 -0.04 0.93 0.68 1uzbB1 LEU 27 HD23 -0.49 -0.02 0.06 -0.04 0.89 0.39 1uzbB1 ARG 28 H -0.01 0.47 -0.25 -0.55 8.46 8.12 1uzbB1 ARG 28 HA -0.04 0.01 0.43 -0.75 4.34 3.99 1uzbB1 ARG 28 HB2 -0.01 0.03 0.13 -0.04 1.90 2.01 1uzbB1 ARG 28 HB3 -0.02 0.11 0.17 -0.04 1.80 2.02 1uzbB1 ARG 28 HG2 -0.04 0.00 -0.20 -0.04 1.67 1.39 1uzbB1 ARG 28 HG3 -0.04 -0.04 0.04 -0.04 1.67 1.59 1uzbB1 ARG 28 HD2 -0.02 0.01 -0.01 -0.04 3.22 3.16 1uzbB1 ARG 28 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 1uzbB1 ARG 29 H -0.04 0.54 -0.09 -0.55 8.46 8.32 1uzbB1 ARG 29 HA -0.06 0.01 0.41 -0.75 4.34 3.94 1uzbB1 ARG 29 HB2 -0.03 0.03 0.13 -0.04 1.90 1.99 1uzbB1 ARG 29 HB3 -0.03 0.07 0.18 -0.04 1.80 1.97 1uzbB1 ARG 29 HG2 -0.03 -0.02 0.02 -0.04 1.67 1.60 1uzbB1 ARG 29 HG3 -0.02 -0.04 -0.01 -0.04 1.67 1.57 1uzbB1 ARG 29 HD2 -0.02 -0.00 -0.16 -0.04 3.22 3.00 1uzbB1 ARG 29 HD3 -0.03 0.01 -0.53 -0.04 3.22 2.63 1uzbB1 VAL 30 H -0.03 0.62 -0.12 -0.55 8.24 8.16 1uzbB1 VAL 30 HA -0.03 0.03 0.38 -0.75 4.13 3.76 1uzbB1 VAL 30 HB 0.12 0.06 0.10 -0.04 2.12 2.37 1uzbB1 VAL 30 HG13 0.21 -0.01 -0.21 -0.04 0.97 0.92 1uzbB1 VAL 30 HG23 0.03 0.00 0.02 -0.04 0.95 0.96 1uzbB1 ARG 31 H -0.29 0.55 -0.11 -0.55 8.46 8.06 1uzbB1 ARG 31 HA -2.68 0.07 0.49 -0.75 4.34 1.46 1uzbB1 ARG 31 HB2 -0.97 -0.06 0.10 -0.04 1.90 0.94 1uzbB1 ARG 31 HB3 -0.97 -0.01 0.12 -0.04 1.80 0.90 1uzbB1 ARG 31 HG2 -0.23 0.21 0.23 -0.04 1.67 1.83 1uzbB1 ARG 31 HG3 -0.27 -0.05 -0.08 -0.04 1.67 1.23 1uzbB1 ARG 31 HD2 -0.14 -0.07 -0.01 -0.04 3.22 2.97 1uzbB1 ARG 31 HD3 0.01 0.05 -0.08 -0.04 3.22 3.16 1uzbB1 GLU 32 H -0.25 0.50 -0.27 -0.55 8.60 8.03 1uzbB1 GLU 32 HA -0.15 0.00 0.49 -0.75 4.29 3.88 1uzbB1 GLU 32 HB2 -0.10 0.16 0.14 -0.04 2.09 2.25 1uzbB1 GLU 32 HB3 -0.08 -0.09 0.10 -0.04 1.99 1.89 1uzbB1 GLU 32 HG2 -0.08 -0.09 0.05 -0.04 2.34 2.18 1uzbB1 GLU 32 HG3 -0.11 0.20 0.10 -0.04 2.34 2.49 1uzbB1 GLU 33 H -0.20 0.37 -0.62 -0.55 8.60 7.60 1uzbB1 GLU 33 HA -0.03 0.10 0.86 -0.75 4.29 4.47 1uzbB1 GLU 33 HB2 0.00 0.15 0.13 -0.04 2.09 2.33 1uzbB1 GLU 33 HB3 0.01 -0.10 0.19 -0.04 1.99 2.05 1uzbB1 GLU 33 HG2 -0.04 -0.04 -0.06 -0.04 2.34 2.16 1uzbB1 GLU 33 HG3 -0.05 0.16 -0.08 -0.04 2.34 2.33 1uzbB1 PHE 34 H -0.06 0.41 -0.28 -0.55 8.34 7.85 1uzbB1 PHE 34 HA 0.01 0.25 0.37 -0.75 4.62 4.49 1uzbB1 PHE 34 HB2 -0.05 0.01 0.13 -0.04 3.15 3.20 1uzbB1 PHE 34 HB3 -0.03 0.17 0.10 -0.04 3.06 3.26 1uzbB1 PHE 34 HD2 -0.08 0.07 0.08 -0.04 7.28 7.31 1uzbB1 PHE 34 HE2 -0.23 -0.07 -0.04 -0.04 7.38 7.01 1uzbB1 PHE 34 HZ -1.30 -0.08 -0.01 -0.04 7.32 5.88 1uzbB1 GLY 35 H 0.08 0.08 -0.47 -0.55 8.43 7.58 1uzbB1 GLY 35 HA2 0.06 0.08 0.46 -0.51 4.01 4.10 1uzbB1 GLY 35 HA3 0.03 -0.04 0.23 -0.51 4.01 3.72 1uzbB1 ARG 36 H 0.05 0.50 -0.36 -0.55 8.46 8.10 1uzbB1 ARG 36 HA -0.11 -0.02 0.40 -0.75 4.34 3.86 1uzbB1 ARG 36 HB2 -0.08 0.13 0.11 -0.04 1.90 2.01 1uzbB1 ARG 36 HB3 -0.64 -0.02 -0.02 -0.04 1.80 1.09 1uzbB1 ARG 36 HG2 -0.14 -0.06 0.05 -0.04 1.67 1.48 1uzbB1 ARG 36 HG3 -0.05 0.03 0.13 -0.04 1.67 1.74 1uzbB1 ARG 36 HD2 -0.06 -0.05 0.04 -0.04 3.22 3.10 1uzbB1 ARG 36 HD3 0.02 0.06 0.05 -0.04 3.22 3.31 1uzbB1 HIS 37 H -0.18 0.15 0.21 -0.55 8.41 8.05 1uzbB1 HIS 37 HA -0.02 0.27 0.95 -0.75 4.63 5.07 1uzbB1 HIS 37 HB2 -0.05 0.04 -0.01 -0.04 3.26 3.20 1uzbB1 HIS 37 HB3 -0.11 -0.05 0.11 -0.04 3.20 3.11 1uzbB1 HIS 37 HD2 -0.01 -0.03 -0.19 -0.04 6.97 6.69 1uzbB1 HIS 37 HE1 0.05 0.08 -0.49 -0.04 7.75 7.35 1uzbB1 TYR 38 H -0.13 0.66 0.40 -0.55 8.29 8.66 1uzbB1 TYR 38 HA -0.29 0.21 1.01 -0.75 4.56 4.73 1uzbB1 TYR 38 HB2 -0.00 -0.07 0.19 -0.04 3.06 3.14 1uzbB1 TYR 38 HB3 -0.08 0.05 0.06 -0.04 2.98 2.97 1uzbB1 TYR 38 HD2 -0.16 0.14 -0.03 -0.04 7.15 7.05 1uzbB1 TYR 38 HE2 -0.05 0.04 -0.05 -0.04 6.85 6.75 1uzbB1 PRO 39 HA 0.10 -0.07 0.57 -0.51 4.44 4.53 1uzbB1 PRO 39 HB2 0.49 0.11 -0.12 -0.04 2.28 2.72 1uzbB1 PRO 39 HB3 0.22 -0.07 -0.39 -0.04 2.02 1.74 1uzbB1 PRO 39 HG2 0.10 0.05 -0.05 -0.04 2.03 2.09 1uzbB1 PRO 39 HG3 0.09 0.00 -0.10 -0.04 2.03 1.99 1uzbB1 PRO 39 HD2 -0.26 0.11 0.15 -0.04 3.68 3.64 1uzbB1 PRO 39 HD3 -0.25 0.32 0.20 -0.04 3.65 3.88 1uzbB1 LEU 40 H 0.21 0.49 0.31 -0.55 8.37 8.84 1uzbB1 LEU 40 HA 0.22 0.14 0.62 -0.75 4.35 4.59 1uzbB1 LEU 40 HB2 0.06 -0.03 0.09 -0.04 1.64 1.72 1uzbB1 LEU 40 HB3 -0.00 0.16 0.20 -0.04 1.64 1.95 1uzbB1 LEU 40 HG 0.07 -0.03 0.06 -0.04 1.64 1.70 1uzbB1 LEU 40 HD13 -0.00 -0.02 -0.10 -0.04 0.93 0.76 1uzbB1 LEU 40 HD23 -0.06 -0.02 -0.15 -0.04 0.89 0.62 1uzbB1 TYR 41 H 0.12 0.48 0.32 -0.55 8.29 8.65 1uzbB1 TYR 41 HA -0.37 0.28 0.92 -0.75 4.56 4.63 1uzbB1 TYR 41 HB2 -0.98 0.06 -0.08 -0.04 3.06 2.03 1uzbB1 TYR 41 HB3 -0.41 -0.15 0.21 -0.04 2.98 2.58 1uzbB1 TYR 41 HD2 -1.16 0.01 -0.18 -0.04 7.15 5.79 1uzbB1 TYR 41 HE2 -0.42 0.06 -0.18 -0.04 6.85 6.27 1uzbB1 ILE 42 H -0.39 0.74 0.22 -0.55 8.25 8.27 1uzbB1 ILE 42 HA -0.17 0.13 0.98 -0.75 4.18 4.37 1uzbB1 ILE 42 HB -0.10 0.03 0.01 -0.04 1.89 1.78 1uzbB1 ILE 42 HG12 -0.06 0.05 -0.10 -0.04 1.49 1.34 1uzbB1 ILE 42 HG13 -0.06 -0.11 -0.54 -0.04 1.21 0.46 1uzbB1 ILE 42 HG23 -0.06 -0.00 -0.19 -0.04 0.93 0.63 1uzbB1 ILE 42 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.73 1uzbB1 GLY 43 H -0.15 0.20 0.14 -0.55 8.43 8.07 1uzbB1 GLY 43 HA2 -0.10 0.04 0.30 -0.51 4.01 3.74 1uzbB1 GLY 43 HA3 -0.10 0.10 0.36 -0.51 4.01 3.86 1uzbB1 GLY 44 H -0.43 0.07 -0.18 -0.55 8.43 7.35 1uzbB1 GLY 44 HA2 -0.10 0.08 0.24 -0.51 4.01 3.72 1uzbB1 GLY 44 HA3 -0.05 0.13 0.45 -0.51 4.01 4.02 1uzbB1 GLU 45 H -0.63 0.33 -0.36 -0.55 8.60 7.39 1uzbB1 GLU 45 HA -0.19 0.15 0.77 -0.75 4.29 4.28 1uzbB1 GLU 45 HB2 0.01 -0.01 0.03 -0.04 2.09 2.08 1uzbB1 GLU 45 HB3 -0.04 0.08 -0.16 -0.04 1.99 1.83 1uzbB1 GLU 45 HG2 -0.14 0.17 -0.08 -0.04 2.34 2.25 1uzbB1 GLU 45 HG3 -0.10 -0.09 -0.23 -0.04 2.34 1.88 1uzbB1 TRP 46 H 0.20 0.15 0.14 -0.55 7.97 7.91 1uzbB1 TRP 46 HA 0.12 0.30 0.77 -0.75 4.62 5.06 1uzbB1 TRP 46 HB2 0.04 -0.04 0.17 -0.04 3.23 3.36 1uzbB1 TRP 46 HB3 0.08 -0.00 0.01 -0.04 3.23 3.27 1uzbB1 TRP 46 HD1 -0.06 -0.01 0.05 -0.04 7.22 7.16 1uzbB1 TRP 46 HE1 -0.23 0.03 -0.04 -0.04 10.20 9.91 1uzbB1 TRP 46 HE3 0.18 0.08 -0.34 -0.04 7.59 7.46 1uzbB1 TRP 46 HZ2 -0.07 -0.02 -0.22 -0.04 7.44 7.09 1uzbB1 TRP 46 HZ3 0.09 0.11 -0.10 -0.04 7.13 7.18 1uzbB1 TRP 46 HH2 -0.11 0.10 -0.06 -0.04 7.19 7.08 1uzbB1 VAL 47 H 0.18 0.66 0.24 -0.55 8.24 8.78 1uzbB1 VAL 47 HA 0.10 0.14 0.92 -0.75 4.13 4.54 1uzbB1 VAL 47 HB 0.03 -0.09 0.06 -0.04 2.12 2.08 1uzbB1 VAL 47 HG13 0.03 0.02 -0.09 -0.04 0.97 0.89 1uzbB1 VAL 47 HG23 -0.02 0.05 -0.19 -0.04 0.95 0.75 1uzbB1 ASP 48 H 0.11 0.17 0.14 -0.55 8.40 8.27 1uzbB1 ASP 48 HA 0.16 0.03 0.79 -0.75 4.63 4.85 1uzbB1 ASP 48 HB2 0.15 0.02 0.04 -0.04 2.71 2.88 1uzbB1 ASP 48 HB3 0.10 0.01 0.02 -0.04 2.70 2.79 1uzbB1 THR 49 H 0.14 0.22 0.22 -0.55 8.28 8.32 1uzbB1 THR 49 HA 0.04 0.18 0.88 -0.75 4.39 4.74 1uzbB1 THR 49 HB 0.03 -0.12 0.19 -0.04 4.32 4.38 1uzbB1 THR 49 HG23 0.04 0.04 -0.20 -0.04 1.22 1.06 1uzbB1 LYS 50 H 0.02 0.07 0.18 -0.55 8.42 8.14 1uzbB1 LYS 50 HA 0.01 0.11 0.46 -0.75 4.32 4.14 1uzbB1 LYS 50 HB2 0.01 -0.06 0.13 -0.04 1.87 1.91 1uzbB1 LYS 50 HB3 0.00 0.04 0.07 -0.04 1.79 1.86 1uzbB1 LYS 50 HG2 0.01 0.05 0.05 -0.04 1.46 1.53 1uzbB1 LYS 50 HG3 0.01 -0.06 0.17 -0.04 1.46 1.54 1uzbB1 LYS 50 HD2 0.00 -0.02 0.05 -0.04 1.69 1.69 1uzbB1 LYS 50 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 1uzbB1 LYS 50 HE2 0.00 -0.04 0.06 -0.04 2.99 2.97 1uzbB1 LYS 50 HE3 0.00 0.01 0.03 -0.04 2.99 2.99 1uzbB1 GLU 51 H 0.02 -0.03 0.07 -0.55 8.60 8.11 1uzbB1 GLU 51 HA 0.01 0.12 0.57 -0.75 4.29 4.24 1uzbB1 GLU 51 HB2 0.02 -0.02 0.06 -0.04 2.09 2.10 1uzbB1 GLU 51 HB3 0.01 0.07 0.09 -0.04 1.99 2.12 1uzbB1 GLU 51 HG2 0.00 0.05 0.02 -0.04 2.34 2.38 1uzbB1 GLU 51 HG3 0.01 -0.09 0.08 -0.04 2.34 2.29 1uzbB1 ARG 52 H 0.03 0.17 0.20 -0.55 8.46 8.31 1uzbB1 ARG 52 HA 0.11 0.21 0.86 -0.75 4.34 4.77 1uzbB1 ARG 52 HB2 0.16 0.07 0.08 -0.04 1.90 2.18 1uzbB1 ARG 52 HB3 0.08 0.06 -0.17 -0.04 1.80 1.73 1uzbB1 ARG 52 HG2 0.01 -0.04 -0.00 -0.04 1.67 1.59 1uzbB1 ARG 52 HG3 0.03 -0.05 -0.19 -0.04 1.67 1.42 1uzbB1 ARG 52 HD2 -0.01 -0.04 -0.07 -0.04 3.22 3.07 1uzbB1 ARG 52 HD3 0.04 0.03 -0.11 -0.04 3.22 3.14 1uzbB1 MET 53 H 0.10 0.70 0.31 -0.55 8.47 9.03 1uzbB1 MET 53 HA 0.03 0.10 0.89 -0.75 4.52 4.79 1uzbB1 MET 53 HB2 0.04 0.01 0.00 -0.04 2.15 2.17 1uzbB1 MET 53 HB3 0.02 0.03 -0.04 -0.04 2.03 2.00 1uzbB1 MET 53 HG2 0.01 -0.04 -0.15 -0.04 2.63 2.42 1uzbB1 MET 53 HG3 0.02 -0.02 -0.44 -0.04 2.56 2.08 1uzbB1 MET 53 HE3 0.01 0.01 -0.19 -0.04 2.10 1.88 1uzbB1 VAL 54 H 0.02 0.15 0.18 -0.55 8.24 8.04 1uzbB1 VAL 54 HA 0.04 0.27 1.10 -0.75 4.13 4.78 1uzbB1 VAL 54 HB 0.00 -0.06 0.13 -0.04 2.12 2.15 1uzbB1 VAL 54 HG13 -0.01 0.02 -0.13 -0.04 0.97 0.80 1uzbB1 VAL 54 HG23 0.02 0.00 -0.09 -0.04 0.95 0.83 1uzbB1 SER 55 H 0.01 0.73 0.40 -0.55 8.46 9.05 1uzbB1 SER 55 HA -0.02 0.11 0.96 -0.75 4.49 4.80 1uzbB1 SER 55 HB2 0.00 -0.09 -0.03 -0.04 3.95 3.79 1uzbB1 SER 55 HB3 -0.01 0.02 0.09 -0.04 3.93 3.99 1uzbB1 LEU 56 H -0.03 0.14 0.26 -0.55 8.37 8.19 1uzbB1 LEU 56 HA -0.10 0.21 1.06 -0.75 4.35 4.77 1uzbB1 LEU 56 HB2 -0.01 -0.05 0.05 -0.04 1.64 1.58 1uzbB1 LEU 56 HB3 -0.04 0.09 0.10 -0.04 1.64 1.75 1uzbB1 LEU 56 HG -0.02 -0.06 -0.10 -0.04 1.64 1.41 1uzbB1 LEU 56 HD13 0.01 0.01 0.05 -0.04 0.93 0.95 1uzbB1 LEU 56 HD23 -0.04 0.05 -0.20 -0.04 0.89 0.67 1uzbB1 ASN 57 H -0.12 0.51 0.23 -0.55 8.53 8.60 1uzbB1 ASN 57 HA -0.02 0.48 0.81 -0.75 4.76 5.28 1uzbB1 ASN 57 HB2 -0.20 0.05 0.07 -0.04 2.88 2.76 1uzbB1 ASN 57 HB3 -0.10 0.11 0.20 -0.04 2.79 2.96 1uzbB1 ASN 57 HD21 0.25 -0.08 -0.01 -0.04 7.03 7.15 1uzbB1 ASN 57 HD22 0.01 0.06 0.01 -0.04 7.74 7.78 1uzbB1 PRO 58 HA -0.03 0.01 0.38 -0.51 4.44 4.29 1uzbB1 PRO 58 HB2 0.08 0.12 -0.11 -0.04 2.28 2.33 1uzbB1 PRO 58 HB3 0.10 0.24 0.07 -0.04 2.02 2.39 1uzbB1 PRO 58 HG2 0.08 -0.09 -0.14 -0.04 2.03 1.83 1uzbB1 PRO 58 HG3 0.08 0.03 -0.33 -0.04 2.03 1.77 1uzbB1 PRO 58 HD2 0.06 0.29 0.19 -0.04 3.68 4.19 1uzbB1 PRO 58 HD3 0.03 0.46 0.25 -0.04 3.65 4.35 1uzbB1 SER 59 H 0.01 0.16 -0.45 -0.55 8.46 7.64 1uzbB1 SER 59 HA -0.16 0.12 0.64 -0.75 4.49 4.34 1uzbB1 SER 59 HB2 0.14 0.08 0.05 -0.04 3.95 4.17 1uzbB1 SER 59 HB3 0.23 -0.05 0.16 -0.04 3.93 4.23 1uzbB1 ALA 60 H -0.11 0.53 -0.43 -0.55 8.40 7.85 1uzbB1 ALA 60 HA -0.11 0.00 0.42 -0.75 4.34 3.90 1uzbB1 ALA 60 HB3 -0.00 0.03 0.07 -0.04 1.41 1.46 1uzbB1 PRO 61 HA -0.09 0.11 0.40 -0.51 4.44 4.35 1uzbB1 PRO 61 HB2 -0.04 -0.01 0.02 -0.04 2.28 2.20 1uzbB1 PRO 61 HB3 -0.18 0.02 0.06 -0.04 2.02 1.88 1uzbB1 PRO 61 HG2 -0.18 -0.04 -0.07 -0.04 2.03 1.69 1uzbB1 PRO 61 HG3 -0.52 0.24 -0.04 -0.04 2.03 1.66 1uzbB1 PRO 61 HD2 -0.28 -0.03 -0.24 -0.04 3.68 3.09 1uzbB1 PRO 61 HD3 -0.56 0.20 -0.18 -0.04 3.65 3.07 1uzbB1 SER 62 H -0.08 0.05 -0.49 -0.55 8.46 7.39 1uzbB1 SER 62 HA -0.04 0.12 0.60 -0.75 4.49 4.42 1uzbB1 SER 62 HB2 -0.03 0.01 0.12 -0.04 3.95 4.00 1uzbB1 SER 62 HB3 -0.04 -0.03 0.04 -0.04 3.93 3.86 1uzbB1 GLU 63 H -0.08 0.56 -0.04 -0.55 8.60 8.50 1uzbB1 GLU 63 HA -0.07 0.11 0.89 -0.75 4.29 4.46 1uzbB1 GLU 63 HB2 -0.05 -0.09 0.07 -0.04 2.09 1.98 1uzbB1 GLU 63 HB3 -0.11 0.09 0.23 -0.04 1.99 2.16 1uzbB1 GLU 63 HG2 -0.37 0.10 -0.32 -0.04 2.34 1.71 1uzbB1 GLU 63 HG3 -0.05 0.00 0.03 -0.04 2.34 2.28 1uzbB1 VAL 64 H -0.10 0.14 0.18 -0.55 8.24 7.92 1uzbB1 VAL 64 HA -0.13 0.16 0.74 -0.75 4.13 4.15 1uzbB1 VAL 64 HB -0.05 -0.01 0.13 -0.04 2.12 2.16 1uzbB1 VAL 64 HG13 -0.02 -0.01 0.00 -0.04 0.97 0.90 1uzbB1 VAL 64 HG23 -0.04 0.00 -0.02 -0.04 0.95 0.86 1uzbB1 VAL 65 H -0.21 0.65 0.38 -0.55 8.24 8.51 1uzbB1 VAL 65 HA -1.11 0.14 0.91 -0.75 4.13 3.31 1uzbB1 VAL 65 HB -0.23 -0.06 0.05 -0.04 2.12 1.85 1uzbB1 VAL 65 HG13 -0.65 0.02 -0.23 -0.04 0.97 0.07 1uzbB1 VAL 65 HG23 -0.08 0.02 -0.25 -0.04 0.95 0.60 1uzbB1 GLY 66 H -0.04 0.09 0.15 -0.55 8.43 8.09 1uzbB1 GLY 66 HA2 0.15 0.34 0.37 -0.51 4.01 4.36 1uzbB1 GLY 66 HA3 0.20 0.03 0.64 -0.51 4.01 4.38 1uzbB1 THR 67 H 0.21 0.64 0.39 -0.55 8.28 8.97 1uzbB1 THR 67 HA 0.11 0.21 1.11 -0.75 4.39 5.07 1uzbB1 THR 67 HB 0.20 0.01 0.15 -0.04 4.32 4.64 1uzbB1 THR 67 HG23 0.07 -0.02 -0.12 -0.04 1.22 1.11 1uzbB1 THR 68 H 0.12 0.43 0.39 -0.55 8.28 8.67 1uzbB1 THR 68 HA -0.14 0.17 1.02 -0.75 4.39 4.69 1uzbB1 THR 68 HB 0.11 0.13 0.19 -0.04 4.32 4.71 1uzbB1 THR 68 HG23 0.12 -0.03 -0.31 -0.04 1.22 0.96 1uzbB1 ALA 69 H -0.01 0.45 0.29 -0.55 8.40 8.58 1uzbB1 ALA 69 HA 0.18 0.19 0.59 -0.75 4.34 4.55 1uzbB1 ALA 69 HB3 0.11 -0.02 0.15 -0.04 1.41 1.61 1uzbB1 LYS 70 H 0.05 0.23 0.08 -0.55 8.42 8.23 1uzbB1 LYS 70 HA -0.01 0.27 0.81 -0.75 4.32 4.64 1uzbB1 LYS 70 HB2 0.02 0.03 -0.39 -0.04 1.87 1.49 1uzbB1 LYS 70 HB3 0.02 -0.07 -0.12 -0.04 1.79 1.58 1uzbB1 LYS 70 HG2 -0.01 0.05 -0.34 -0.04 1.46 1.12 1uzbB1 LYS 70 HG3 -0.00 -0.09 -0.03 -0.04 1.46 1.30 1uzbB1 LYS 70 HD2 0.01 0.06 -0.10 -0.04 1.69 1.62 1uzbB1 LYS 70 HD3 0.01 -0.05 -0.09 -0.04 1.68 1.50 1uzbB1 LYS 70 HE2 0.00 0.01 -0.00 -0.04 2.99 2.95 1uzbB1 LYS 70 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.89 1uzbB1 ALA 71 H -0.05 0.81 0.23 -0.55 8.40 8.84 1uzbB1 ALA 71 HA -0.03 0.00 0.61 -0.75 4.34 4.18 1uzbB1 ALA 71 HB3 -0.06 0.03 -0.04 -0.04 1.41 1.30 1uzbB1 GLY 72 H -0.04 0.02 0.19 -0.55 8.43 8.05 1uzbB1 GLY 72 HA2 -0.05 0.23 0.79 -0.51 4.01 4.48 1uzbB1 GLY 72 HA3 -0.06 0.03 0.36 -0.51 4.01 3.83 1uzbB1 LYS 73 H -0.15 0.21 0.13 -0.55 8.42 8.06 1uzbB1 LYS 73 HA -0.48 0.15 0.36 -0.75 4.32 3.60 1uzbB1 LYS 73 HB2 -0.27 -0.03 0.12 -0.04 1.87 1.65 1uzbB1 LYS 73 HB3 -0.80 0.10 0.00 -0.04 1.79 1.05 1uzbB1 LYS 73 HG2 -0.50 0.09 -0.00 -0.04 1.46 1.00 1uzbB1 LYS 73 HG3 -0.19 -0.09 0.05 -0.04 1.46 1.19 1uzbB1 LYS 73 HD2 -0.12 -0.02 0.02 -0.04 1.69 1.54 1uzbB1 LYS 73 HD3 -0.19 0.07 -0.00 -0.04 1.68 1.52 1uzbB1 LYS 73 HE2 0.10 0.06 -0.01 -0.04 2.99 3.10 1uzbB1 LYS 73 HE3 -0.01 -0.06 0.00 -0.04 2.99 2.88 1uzbB1 ALA 74 H -0.12 0.07 -0.11 -0.55 8.40 7.69 1uzbB1 ALA 74 HA -0.06 0.15 0.40 -0.75 4.34 4.07 1uzbB1 ALA 74 HB3 -0.04 0.02 0.06 -0.04 1.41 1.42 1uzbB1 GLU 75 H -0.05 0.00 -0.23 -0.55 8.60 7.78 1uzbB1 GLU 75 HA -0.01 0.12 0.45 -0.75 4.29 4.09 1uzbB1 GLU 75 HB2 -0.03 -0.08 0.13 -0.04 2.09 2.06 1uzbB1 GLU 75 HB3 -0.03 0.10 -0.01 -0.04 1.99 2.02 1uzbB1 GLU 75 HG2 -0.01 0.10 -0.01 -0.04 2.34 2.38 1uzbB1 GLU 75 HG3 -0.01 0.08 -0.01 -0.04 2.34 2.36 1uzbB1 ALA 76 H -0.05 0.36 -0.24 -0.55 8.40 7.92 1uzbB1 ALA 76 HA 0.02 0.06 0.38 -0.75 4.34 4.04 1uzbB1 ALA 76 HB3 0.08 0.04 0.03 -0.04 1.41 1.51 1uzbB1 GLU 77 H 0.03 0.53 -0.15 -0.55 8.60 8.46 1uzbB1 GLU 77 HA 0.20 0.08 0.40 -0.75 4.29 4.21 1uzbB1 GLU 77 HB2 0.19 0.03 0.10 -0.04 2.09 2.37 1uzbB1 GLU 77 HB3 0.07 0.08 0.13 -0.04 1.99 2.23 1uzbB1 GLU 77 HG2 0.15 -0.02 -0.02 -0.04 2.34 2.40 1uzbB1 GLU 77 HG3 0.12 -0.01 -0.13 -0.04 2.34 2.27 1uzbB1 ALA 78 H 0.03 0.43 -0.18 -0.55 8.40 8.12 1uzbB1 ALA 78 HA 0.04 0.04 0.41 -0.75 4.34 4.07 1uzbB1 ALA 78 HB3 0.00 0.02 0.08 -0.04 1.41 1.48 1uzbB1 ALA 79 H 0.01 0.53 -0.24 -0.55 8.40 8.15 1uzbB1 ALA 79 HA -0.03 -0.04 0.47 -0.75 4.34 3.99 1uzbB1 ALA 79 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 1uzbB1 LEU 80 H 0.03 0.48 -0.23 -0.55 8.37 8.10 1uzbB1 LEU 80 HA -0.05 0.05 0.38 -0.75 4.35 3.98 1uzbB1 LEU 80 HB2 -0.03 0.05 0.07 -0.04 1.64 1.69 1uzbB1 LEU 80 HB3 0.04 0.07 0.12 -0.04 1.64 1.83 1uzbB1 LEU 80 HG 0.27 -0.01 -0.15 -0.04 1.64 1.71 1uzbB1 LEU 80 HD13 -0.02 0.04 -0.04 -0.04 0.93 0.86 1uzbB1 LEU 80 HD23 -0.51 -0.02 -0.15 -0.04 0.89 0.17 1uzbB1 GLU 81 H 0.08 0.53 -0.13 -0.55 8.60 8.53 1uzbB1 GLU 81 HA 0.20 0.05 0.43 -0.75 4.29 4.21 1uzbB1 GLU 81 HB2 0.07 0.08 0.14 -0.04 2.09 2.34 1uzbB1 GLU 81 HB3 0.09 -0.04 0.02 -0.04 1.99 2.01 1uzbB1 GLU 81 HG2 0.10 -0.02 0.02 -0.04 2.34 2.40 1uzbB1 GLU 81 HG3 0.09 0.25 0.06 -0.04 2.34 2.70 1uzbB1 ALA 82 H 0.03 0.46 -0.21 -0.55 8.40 8.14 1uzbB1 ALA 82 HA 0.04 0.02 0.43 -0.75 4.34 4.07 1uzbB1 ALA 82 HB3 -0.03 0.00 0.13 -0.04 1.41 1.48 1uzbB1 ALA 83 H -0.03 0.54 -0.18 -0.55 8.40 8.19 1uzbB1 ALA 83 HA -0.11 0.29 0.44 -0.75 4.34 4.21 1uzbB1 ALA 83 HB3 -0.26 0.00 0.02 -0.04 1.41 1.13 1uzbB1 TRP 84 H 0.15 0.52 -0.13 -0.55 7.97 7.96 1uzbB1 TRP 84 HA 0.11 0.04 0.53 -0.75 4.62 4.55 1uzbB1 TRP 84 HB2 0.05 0.07 0.16 -0.04 3.23 3.47 1uzbB1 TRP 84 HB3 0.10 -0.04 0.01 -0.04 3.23 3.26 1uzbB1 TRP 84 HD1 -0.01 0.02 -0.03 -0.04 7.22 7.16 1uzbB1 TRP 84 HE1 0.03 0.45 0.16 -0.04 10.20 10.80 1uzbB1 TRP 84 HE3 0.15 -0.02 0.08 -0.04 7.59 7.76 1uzbB1 TRP 84 HZ2 -0.01 0.15 0.02 -0.04 7.44 7.56 1uzbB1 TRP 84 HZ3 -0.29 0.11 0.08 -0.04 7.13 6.99 1uzbB1 TRP 84 HH2 -0.55 0.17 0.08 -0.04 7.19 6.85 1uzbB1 LYS 85 H 0.21 0.51 -0.15 -0.55 8.42 8.44 1uzbB1 LYS 85 HA 0.19 -0.00 0.42 -0.75 4.32 4.17 1uzbB1 LYS 85 HB2 0.12 0.01 0.12 -0.04 1.87 2.09 1uzbB1 LYS 85 HB3 0.09 0.10 0.16 -0.04 1.79 2.10 1uzbB1 LYS 85 HG2 0.09 0.03 -0.18 -0.04 1.46 1.36 1uzbB1 LYS 85 HG3 0.10 -0.05 0.04 -0.04 1.46 1.51 1uzbB1 LYS 85 HD2 0.07 -0.04 -0.02 -0.04 1.69 1.66 1uzbB1 LYS 85 HD3 0.06 0.01 -0.03 -0.04 1.68 1.67 1uzbB1 LYS 85 HE2 0.06 0.02 -0.04 -0.04 2.99 2.99 1uzbB1 LYS 85 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.97 1uzbB1 ALA 86 H 0.09 0.54 -0.21 -0.55 8.40 8.28 1uzbB1 ALA 86 HA 0.09 -0.00 0.40 -0.75 4.34 4.07 1uzbB1 ALA 86 HB3 -0.05 0.07 -0.03 -0.04 1.41 1.37 1uzbB1 PHE 87 H 0.23 0.49 -0.24 -0.55 8.34 8.27 1uzbB1 PHE 87 HA 0.15 0.05 0.30 -0.75 4.62 4.37 1uzbB1 PHE 87 HB2 -0.13 0.04 0.06 -0.04 3.15 3.08 1uzbB1 PHE 87 HB3 0.18 0.11 0.14 -0.04 3.06 3.45 1uzbB1 PHE 87 HD2 0.25 0.05 -0.03 -0.04 7.28 7.50 1uzbB1 PHE 87 HE2 0.16 0.02 -0.15 -0.04 7.38 7.37 1uzbB1 PHE 87 HZ 0.11 0.20 -0.38 -0.04 7.32 7.21 1uzbB1 LYS 88 H 0.26 0.40 -0.34 -0.55 8.42 8.19 1uzbB1 LYS 88 HA 0.01 0.01 0.32 -0.75 4.32 3.91 1uzbB1 LYS 88 HB2 0.20 0.07 0.14 -0.04 1.87 2.24 1uzbB1 LYS 88 HB3 0.12 0.07 0.05 -0.04 1.79 1.99 1uzbB1 LYS 88 HG2 0.11 -0.02 0.07 -0.04 1.46 1.58 1uzbB1 LYS 88 HG3 0.11 -0.06 0.02 -0.04 1.46 1.49 1uzbB1 LYS 88 HD2 0.08 -0.03 -0.13 -0.04 1.69 1.56 1uzbB1 LYS 88 HD3 0.05 0.06 -0.13 -0.04 1.68 1.62 1uzbB1 LYS 88 HE2 0.06 -0.05 -0.00 -0.04 2.99 2.96 1uzbB1 LYS 88 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 1uzbB1 THR 89 H 0.12 0.34 -0.29 -0.55 8.28 7.90 1uzbB1 THR 89 HA 0.10 0.18 1.01 -0.75 4.39 4.92 1uzbB1 THR 89 HB 0.26 -0.05 0.02 -0.04 4.32 4.51 1uzbB1 THR 89 HG23 0.11 -0.02 -0.07 -0.04 1.22 1.20 1uzbB1 TRP 90 H 0.23 0.66 0.15 -0.55 7.97 8.47 1uzbB1 TRP 90 HA -0.40 -0.04 0.42 -0.75 4.62 3.85 1uzbB1 TRP 90 HB2 -0.22 -0.06 0.03 -0.04 3.23 2.94 1uzbB1 TRP 90 HB3 -0.12 0.06 -0.03 -0.04 3.23 3.11 1uzbB1 TRP 90 HD1 -0.04 0.17 -0.50 -0.04 7.22 6.80 1uzbB1 TRP 90 HE1 -0.13 0.26 0.07 -0.04 10.20 10.36 1uzbB1 TRP 90 HE3 -1.65 -0.04 0.04 -0.04 7.59 5.91 1uzbB1 TRP 90 HZ2 -0.05 0.04 -0.09 -0.04 7.44 7.29 1uzbB1 TRP 90 HZ3 -2.28 -0.02 0.01 -0.04 7.13 4.79 1uzbB1 TRP 90 HH2 -0.29 -0.04 0.01 -0.04 7.19 6.82 1uzbB1 LYS 91 H -0.17 0.51 -0.17 -0.55 8.42 8.04 1uzbB1 LYS 91 HA -0.25 0.10 0.49 -0.75 4.32 3.91 1uzbB1 LYS 91 HB2 -0.28 -0.05 0.11 -0.04 1.87 1.61 1uzbB1 LYS 91 HB3 -1.01 0.07 0.12 -0.04 1.79 0.93 1uzbB1 LYS 91 HG2 -0.32 0.10 -0.12 -0.04 1.46 1.08 1uzbB1 LYS 91 HG3 -0.18 -0.06 -0.29 -0.04 1.46 0.88 1uzbB1 LYS 91 HD2 -0.27 -0.03 -0.06 -0.04 1.69 1.29 1uzbB1 LYS 91 HD3 -0.99 -0.02 -0.12 -0.04 1.68 0.51 1uzbB1 LYS 91 HE2 -0.00 -0.09 -0.02 -0.04 2.99 2.83 1uzbB1 LYS 91 HE3 -0.10 0.16 0.06 -0.04 2.99 3.07 1uzbB1 ASP 92 H -0.00 0.30 -0.54 -0.55 8.40 7.61 1uzbB1 ASP 92 HA -0.06 0.13 0.69 -0.75 4.63 4.64 1uzbB1 ASP 92 HB2 0.06 0.11 0.10 -0.04 2.71 2.94 1uzbB1 ASP 92 HB3 -0.02 -0.13 0.12 -0.04 2.70 2.64 1uzbB1 TRP 93 H 0.14 0.37 -0.27 -0.55 7.97 7.67 1uzbB1 TRP 93 HA -0.13 -0.03 0.46 -0.75 4.62 4.16 1uzbB1 TRP 93 HB2 -0.63 0.28 0.14 -0.04 3.23 2.98 1uzbB1 TRP 93 HB3 -0.35 -0.06 -0.03 -0.04 3.23 2.75 1uzbB1 TRP 93 HD1 -0.00 0.23 -0.01 -0.04 7.22 7.39 1uzbB1 TRP 93 HE1 0.19 -0.06 -0.08 -0.04 10.20 10.21 1uzbB1 TRP 93 HE3 -0.15 -0.08 -0.24 -0.04 7.59 7.09 1uzbB1 TRP 93 HZ2 0.19 -0.03 0.01 -0.04 7.44 7.57 1uzbB1 TRP 93 HZ3 0.11 0.04 -0.11 -0.04 7.13 7.13 1uzbB1 TRP 93 HH2 0.13 0.04 -0.00 -0.04 7.19 7.32 1uzbB1 PRO 94 HA -0.04 0.13 0.52 -0.51 4.44 4.54 1uzbB1 PRO 94 HB2 -0.05 -0.22 0.11 -0.04 2.28 2.08 1uzbB1 PRO 94 HB3 -0.04 0.04 0.16 -0.04 2.02 2.14 1uzbB1 PRO 94 HG2 -0.13 -0.01 0.12 -0.04 2.03 1.98 1uzbB1 PRO 94 HG3 -0.09 0.12 0.14 -0.04 2.03 2.15 1uzbB1 PRO 94 HD2 -0.23 0.00 0.25 -0.04 3.68 3.66 1uzbB1 PRO 94 HD3 -0.19 0.22 0.27 -0.04 3.65 3.92 1uzbB1 GLN 95 H -0.00 0.16 0.22 -0.55 8.47 8.31 1uzbB1 GLN 95 HA -0.04 0.24 0.38 -0.75 4.36 4.19 1uzbB1 GLN 95 HB2 0.03 0.11 0.15 -0.04 2.15 2.40 1uzbB1 GLN 95 HB3 0.03 -0.08 0.13 -0.04 2.02 2.06 1uzbB1 GLN 95 HG2 0.06 0.12 -0.21 -0.04 2.40 2.33 1uzbB1 GLN 95 HG3 0.03 -0.10 -0.23 -0.04 2.39 2.05 1uzbB1 GLN 95 HE21 -0.01 0.46 0.04 -0.04 6.97 7.43 1uzbB1 GLN 95 HE22 0.03 -0.19 0.02 -0.04 7.69 7.50 1uzbB1 GLU 96 H 0.01 0.08 -0.18 -0.55 8.60 7.96 1uzbB1 GLU 96 HA 0.03 0.08 0.37 -0.75 4.29 4.02 1uzbB1 GLU 96 HB2 -0.00 -0.02 0.04 -0.04 2.09 2.07 1uzbB1 GLU 96 HB3 0.01 0.02 -0.01 -0.04 1.99 1.96 1uzbB1 GLU 96 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 1uzbB1 GLU 96 HG3 0.02 0.03 0.04 -0.04 2.34 2.38 1uzbB1 ASP 97 H 0.03 0.22 -0.37 -0.55 8.40 7.73 1uzbB1 ASP 97 HA 0.07 0.01 0.47 -0.75 4.63 4.43 1uzbB1 ASP 97 HB2 0.12 0.24 0.12 -0.04 2.71 3.14 1uzbB1 ASP 97 HB3 0.05 0.01 0.01 -0.04 2.70 2.72 1uzbB1 ARG 98 H 0.09 0.46 -0.10 -0.55 8.46 8.35 1uzbB1 ARG 98 HA 0.12 0.02 0.46 -0.75 4.34 4.18 1uzbB1 ARG 98 HB2 -0.12 0.08 0.18 -0.04 1.90 2.01 1uzbB1 ARG 98 HB3 -0.12 0.04 0.07 -0.04 1.80 1.75 1uzbB1 ARG 98 HG2 -1.71 -0.11 0.02 -0.04 1.67 -0.17 1uzbB1 ARG 98 HG3 -0.38 0.03 -0.07 -0.04 1.67 1.20 1uzbB1 ARG 98 HD2 -0.93 0.06 -0.02 -0.04 3.22 2.29 1uzbB1 ARG 98 HD3 -1.72 0.14 -0.01 -0.04 3.22 1.58 1uzbB1 SER 99 H 0.06 0.67 -0.08 -0.55 8.46 8.56 1uzbB1 SER 99 HA 0.10 0.01 0.49 -0.75 4.49 4.33 1uzbB1 SER 99 HB2 0.05 0.02 0.13 -0.04 3.95 4.12 1uzbB1 SER 99 HB3 0.06 -0.10 0.01 -0.04 3.93 3.86 1uzbB1 ARG 100 H 0.08 0.49 -0.24 -0.55 8.46 8.24 1uzbB1 ARG 100 HA 0.06 -0.04 0.44 -0.75 4.34 4.04 1uzbB1 ARG 100 HB2 0.08 0.16 0.19 -0.04 1.90 2.29 1uzbB1 ARG 100 HB3 0.05 -0.05 -0.00 -0.04 1.80 1.76 1uzbB1 ARG 100 HG2 0.03 -0.08 0.03 -0.04 1.67 1.62 1uzbB1 ARG 100 HG3 0.04 0.12 0.07 -0.04 1.67 1.86 1uzbB1 ARG 100 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 1uzbB1 ARG 100 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.14 1uzbB1 LEU 101 H 0.12 0.46 -0.33 -0.55 8.37 8.08 1uzbB1 LEU 101 HA -0.04 0.04 0.40 -0.75 4.35 4.00 1uzbB1 LEU 101 HB2 0.17 0.16 0.18 -0.04 1.64 2.10 1uzbB1 LEU 101 HB3 -0.15 0.01 -0.01 -0.04 1.64 1.45 1uzbB1 LEU 101 HG -0.00 0.01 -0.04 -0.04 1.64 1.57 1uzbB1 LEU 101 HD13 -0.19 0.03 -0.09 -0.04 0.93 0.63 1uzbB1 LEU 101 HD23 -0.90 -0.03 -0.26 -0.04 0.89 -0.34 1uzbB1 LEU 102 H 0.11 0.51 -0.15 -0.55 8.37 8.29 1uzbB1 LEU 102 HA 0.21 -0.02 0.41 -0.75 4.35 4.20 1uzbB1 LEU 102 HB2 0.15 0.17 0.21 -0.04 1.64 2.12 1uzbB1 LEU 102 HB3 0.16 -0.02 -0.05 -0.04 1.64 1.69 1uzbB1 LEU 102 HG 0.24 -0.12 0.02 -0.04 1.64 1.73 1uzbB1 LEU 102 HD13 0.29 0.02 -0.06 -0.04 0.93 1.15 1uzbB1 LEU 102 HD23 0.18 0.04 -0.06 -0.04 0.89 1.01 1uzbB1 LEU 103 H 0.08 0.61 -0.14 -0.55 8.37 8.37 1uzbB1 LEU 103 HA 0.08 -0.05 0.33 -0.75 4.35 3.96 1uzbB1 LEU 103 HB2 0.05 0.15 0.13 -0.04 1.64 1.94 1uzbB1 LEU 103 HB3 0.05 -0.09 0.01 -0.04 1.64 1.57 1uzbB1 LEU 103 HG 0.07 0.25 0.05 -0.04 1.64 1.96 1uzbB1 LEU 103 HD13 0.05 -0.02 -0.08 -0.04 0.93 0.83 1uzbB1 LEU 103 HD23 0.07 -0.03 -0.02 -0.04 0.89 0.87 1uzbB1 LYS 104 H 0.03 0.59 -0.30 -0.55 8.42 8.19 1uzbB1 LYS 104 HA 0.03 -0.04 0.49 -0.75 4.32 4.04 1uzbB1 LYS 104 HB2 0.01 -0.02 0.12 -0.04 1.87 1.94 1uzbB1 LYS 104 HB3 -0.02 0.25 0.22 -0.04 1.79 2.20 1uzbB1 LYS 104 HG2 -0.01 0.18 0.07 -0.04 1.46 1.65 1uzbB1 LYS 104 HG3 0.00 -0.05 -0.25 -0.04 1.46 1.12 1uzbB1 LYS 104 HD2 0.01 0.00 -0.04 -0.04 1.69 1.62 1uzbB1 LYS 104 HD3 0.02 -0.14 0.09 -0.04 1.68 1.61 1uzbB1 LYS 104 HE2 0.01 -0.01 0.03 -0.04 2.99 2.98 1uzbB1 LYS 104 HE3 0.01 0.08 0.02 -0.04 2.99 3.06 1uzbB1 ALA 105 H 0.06 0.57 -0.11 -0.55 8.40 8.37 1uzbB1 ALA 105 HA 0.11 0.02 0.37 -0.75 4.34 4.09 1uzbB1 ALA 105 HB3 0.28 0.04 0.07 -0.04 1.41 1.75 1uzbB1 ALA 106 H 0.10 0.61 -0.21 -0.55 8.40 8.35 1uzbB1 ALA 106 HA 0.09 -0.04 0.43 -0.75 4.34 4.05 1uzbB1 ALA 106 HB3 0.08 0.03 0.06 -0.04 1.41 1.54 1uzbB1 ALA 107 H 0.05 0.59 -0.17 -0.55 8.40 8.32 1uzbB1 ALA 107 HA 0.02 -0.04 0.43 -0.75 4.34 3.99 1uzbB1 ALA 107 HB3 0.02 0.04 0.12 -0.04 1.41 1.55 1uzbB1 LEU 108 H 0.04 0.61 -0.16 -0.55 8.37 8.31 1uzbB1 LEU 108 HA 0.02 0.00 0.44 -0.75 4.35 4.06 1uzbB1 LEU 108 HB2 0.05 0.13 0.14 -0.04 1.64 1.91 1uzbB1 LEU 108 HB3 0.03 -0.08 -0.00 -0.04 1.64 1.55 1uzbB1 LEU 108 HG 0.03 0.17 0.02 -0.04 1.64 1.82 1uzbB1 LEU 108 HD13 0.04 0.01 -0.15 -0.04 0.93 0.78 1uzbB1 LEU 108 HD23 0.02 -0.03 -0.04 -0.04 0.89 0.81 1uzbB1 MET 109 H 0.04 0.62 -0.15 -0.55 8.47 8.43 1uzbB1 MET 109 HA 0.00 0.01 0.38 -0.75 4.52 4.15 1uzbB1 MET 109 HB2 0.03 0.09 0.08 -0.04 2.15 2.31 1uzbB1 MET 109 HB3 0.04 0.09 0.12 -0.04 2.03 2.24 1uzbB1 MET 109 HG2 0.01 -0.05 -0.21 -0.04 2.63 2.34 1uzbB1 MET 109 HG3 -0.00 -0.04 -0.02 -0.04 2.56 2.45 1uzbB1 MET 109 HE3 -0.00 0.01 -0.06 -0.04 2.10 2.01 1uzbB1 ARG 110 H 0.02 0.68 -0.14 -0.55 8.46 8.47 1uzbB1 ARG 110 HA -0.01 -0.05 0.41 -0.75 4.34 3.94 1uzbB1 ARG 110 HB2 0.00 0.08 0.13 -0.04 1.90 2.08 1uzbB1 ARG 110 HB3 0.00 0.16 0.14 -0.04 1.80 2.05 1uzbB1 ARG 110 HG2 -0.02 -0.04 -0.07 -0.04 1.67 1.50 1uzbB1 ARG 110 HG3 -0.02 -0.07 0.07 -0.04 1.67 1.60 1uzbB1 ARG 110 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.20 1uzbB1 ARG 110 HD3 -0.03 -0.05 -0.01 -0.04 3.22 3.09 1uzbB1 ARG 111 H 0.00 0.48 -0.34 -0.55 8.46 8.05 1uzbB1 ARG 111 HA -0.01 0.01 0.50 -0.75 4.34 4.09 1uzbB1 ARG 111 HB2 0.01 0.18 0.13 -0.04 1.90 2.17 1uzbB1 ARG 111 HB3 0.00 -0.08 0.10 -0.04 1.80 1.78 1uzbB1 ARG 111 HG2 -0.00 -0.09 0.04 -0.04 1.67 1.57 1uzbB1 ARG 111 HG3 0.00 0.14 0.07 -0.04 1.67 1.84 1uzbB1 ARG 111 HD2 0.01 0.05 -0.04 -0.04 3.22 3.20 1uzbB1 ARG 111 HD3 0.00 -0.06 0.01 -0.04 3.22 3.13 1uzbB1 ARG 112 H -0.00 0.45 -0.51 -0.55 8.46 7.84 1uzbB1 ARG 112 HA -0.01 0.11 0.85 -0.75 4.34 4.53 1uzbB1 ARG 112 HB2 -0.01 0.12 0.09 -0.04 1.90 2.07 1uzbB1 ARG 112 HB3 -0.01 -0.15 0.17 -0.04 1.80 1.77 1uzbB1 ARG 112 HG2 0.00 -0.04 -0.05 -0.04 1.67 1.54 1uzbB1 ARG 112 HG3 0.00 0.10 -0.18 -0.04 1.67 1.55 1uzbB1 ARG 112 HD2 0.01 0.01 -0.06 -0.04 3.22 3.14 1uzbB1 ARG 112 HD3 0.00 0.04 -0.08 -0.04 3.22 3.14 1uzbB1 LYS 113 H -0.01 0.42 -0.29 -0.55 8.42 7.98 1uzbB1 LYS 113 HA -0.01 0.06 0.36 -0.75 4.32 3.96 1uzbB1 LYS 113 HB2 -0.02 0.22 0.19 -0.04 1.87 2.22 1uzbB1 LYS 113 HB3 -0.02 -0.06 0.13 -0.04 1.79 1.79 1uzbB1 LYS 113 HG2 -0.02 -0.09 -0.25 -0.04 1.46 1.06 1uzbB1 LYS 113 HG3 -0.02 -0.02 -0.00 -0.04 1.46 1.38 1uzbB1 LYS 113 HD2 -0.05 -0.04 -0.01 -0.04 1.69 1.55 1uzbB1 LYS 113 HD3 -0.05 -0.06 0.01 -0.04 1.68 1.54 1uzbB1 LYS 113 HE2 -0.05 0.01 0.02 -0.04 2.99 2.93 1uzbB1 LYS 113 HE3 -0.03 -0.01 0.01 -0.04 2.99 2.92 1uzbB1 ARG 114 H -0.02 0.20 -0.10 -0.55 8.46 7.98 1uzbB1 ARG 114 HA -0.03 0.03 0.40 -0.75 4.34 3.98 1uzbB1 ARG 114 HB2 -0.03 0.04 0.05 -0.04 1.90 1.92 1uzbB1 ARG 114 HB3 -0.06 0.04 -0.01 -0.04 1.80 1.73 1uzbB1 ARG 114 HG2 -0.02 -0.01 0.02 -0.04 1.67 1.62 1uzbB1 ARG 114 HG3 -0.02 0.04 -0.05 -0.04 1.67 1.61 1uzbB1 ARG 114 HD2 0.04 -0.01 -0.10 -0.04 3.22 3.12 1uzbB1 ARG 114 HD3 -0.01 0.00 -0.08 -0.04 3.22 3.10 1uzbB1 GLU 115 H -0.03 0.17 -0.28 -0.55 8.60 7.91 1uzbB1 GLU 115 HA -0.03 0.05 0.40 -0.75 4.29 3.96 1uzbB1 GLU 115 HB2 -0.02 -0.02 0.10 -0.04 2.09 2.11 1uzbB1 GLU 115 HB3 -0.01 0.19 0.13 -0.04 1.99 2.25 1uzbB1 GLU 115 HG2 -0.00 -0.03 -0.19 -0.04 2.34 2.07 1uzbB1 GLU 115 HG3 -0.00 -0.00 0.00 -0.04 2.34 2.30 1uzbB1 LEU 116 H -0.02 0.59 -0.08 -0.55 8.37 8.30 1uzbB1 LEU 116 HA -0.02 0.04 0.45 -0.75 4.35 4.06 1uzbB1 LEU 116 HB2 -0.02 0.11 0.11 -0.04 1.64 1.80 1uzbB1 LEU 116 HB3 -0.02 -0.10 -0.01 -0.04 1.64 1.47 1uzbB1 LEU 116 HG -0.02 0.13 0.03 -0.04 1.64 1.74 1uzbB1 LEU 116 HD13 -0.02 0.00 -0.07 -0.04 0.93 0.80 1uzbB1 LEU 116 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.73 1uzbB1 GLU 117 H -0.04 0.60 -0.12 -0.55 8.60 8.50 1uzbB1 GLU 117 HA -0.05 -0.00 0.38 -0.75 4.29 3.87 1uzbB1 GLU 117 HB2 -0.08 0.10 0.14 -0.04 2.09 2.21 1uzbB1 GLU 117 HB3 -0.07 -0.06 -0.06 -0.04 1.99 1.76 1uzbB1 GLU 117 HG2 0.01 -0.03 -0.25 -0.04 2.34 2.03 1uzbB1 GLU 117 HG3 -0.01 0.33 0.06 -0.04 2.34 2.68 1uzbB1 ALA 118 H -0.10 0.69 -0.13 -0.55 8.40 8.31 1uzbB1 ALA 118 HA -0.25 -0.01 0.39 -0.75 4.34 3.72 1uzbB1 ALA 118 HB3 -0.09 0.03 -0.03 -0.04 1.41 1.27 1uzbB1 THR 119 H -0.01 0.41 -0.37 -0.55 8.28 7.76 1uzbB1 THR 119 HA 0.16 0.06 0.46 -0.75 4.39 4.31 1uzbB1 THR 119 HB -0.00 0.10 0.13 -0.04 4.32 4.50 1uzbB1 THR 119 HG23 0.02 -0.02 -0.10 -0.04 1.22 1.08 1uzbB1 LEU 120 H -0.03 0.52 -0.13 -0.55 8.37 8.19 1uzbB1 LEU 120 HA -0.00 -0.02 0.44 -0.75 4.35 4.02 1uzbB1 LEU 120 HB2 -0.06 0.19 0.22 -0.04 1.64 1.95 1uzbB1 LEU 120 HB3 -0.09 -0.07 0.01 -0.04 1.64 1.45 1uzbB1 LEU 120 HG -0.04 0.17 0.04 -0.04 1.64 1.78 1uzbB1 LEU 120 HD13 -0.05 -0.03 0.01 -0.04 0.93 0.82 1uzbB1 LEU 120 HD23 -0.05 -0.03 -0.04 -0.04 0.89 0.73 1uzbB1 VAL 121 H -0.08 0.52 -0.18 -0.55 8.24 7.95 1uzbB1 VAL 121 HA -0.01 0.18 0.44 -0.75 4.13 3.98 1uzbB1 VAL 121 HB -0.33 0.14 0.16 -0.04 2.12 2.04 1uzbB1 VAL 121 HG13 -0.20 -0.01 -0.28 -0.04 0.97 0.44 1uzbB1 VAL 121 HG23 -0.17 0.10 -0.09 -0.04 0.95 0.75 1uzbB1 TYR 122 H 0.02 0.51 -0.11 -0.55 8.29 8.16 1uzbB1 TYR 122 HA 0.10 -0.02 0.54 -0.75 4.56 4.41 1uzbB1 TYR 122 HB2 0.20 0.10 0.15 -0.04 3.06 3.46 1uzbB1 TYR 122 HB3 0.19 0.00 -0.01 -0.04 2.98 3.12 1uzbB1 TYR 122 HD2 0.15 -0.00 -0.00 -0.04 7.15 7.25 1uzbB1 TYR 122 HE2 0.05 0.04 0.06 -0.04 6.85 6.95 1uzbB1 GLU 123 H 0.13 0.63 0.01 -0.55 8.60 8.82 1uzbB1 GLU 123 HA 0.04 0.19 0.73 -0.75 4.29 4.50 1uzbB1 GLU 123 HB2 0.06 -0.01 0.11 -0.04 2.09 2.20 1uzbB1 GLU 123 HB3 0.04 -0.05 0.11 -0.04 1.99 2.06 1uzbB1 GLU 123 HG2 0.02 0.28 0.13 -0.04 2.34 2.73 1uzbB1 GLU 123 HG3 -0.00 0.01 0.09 -0.04 2.34 2.40 1uzbB1 VAL 124 H 0.09 0.43 0.10 -0.55 8.24 8.30 1uzbB1 VAL 124 HA 0.12 0.30 1.16 -0.75 4.13 4.95 1uzbB1 VAL 124 HB 0.37 -0.03 0.20 -0.04 2.12 2.62 1uzbB1 VAL 124 HG13 0.15 -0.00 -0.09 -0.04 0.97 0.98 1uzbB1 VAL 124 HG23 0.03 -0.03 0.03 -0.04 0.95 0.93 1uzbB1 GLY 125 H 0.13 0.23 -0.10 -0.55 8.43 8.14 1uzbB1 GLY 125 HA2 0.15 0.04 0.39 -0.51 4.01 4.09 1uzbB1 GLY 125 HA3 0.19 0.10 0.36 -0.51 4.01 4.15 1uzbB1 LYS 126 H 0.09 0.22 -0.09 -0.55 8.42 8.09 1uzbB1 LYS 126 HA 0.25 0.09 0.70 -0.75 4.32 4.61 1uzbB1 LYS 126 HB2 -0.09 -0.05 -0.14 -0.04 1.87 1.55 1uzbB1 LYS 126 HB3 -0.12 -0.10 -0.10 -0.04 1.79 1.43 1uzbB1 LYS 126 HG2 -1.20 0.07 -0.06 -0.04 1.46 0.23 1uzbB1 LYS 126 HG3 -0.38 0.05 -0.13 -0.04 1.46 0.96 1uzbB1 LYS 126 HD2 -0.36 -0.09 -0.10 -0.04 1.69 1.11 1uzbB1 LYS 126 HD3 -0.47 -0.08 -0.29 -0.04 1.68 0.80 1uzbB1 LYS 126 HE2 -2.12 0.02 0.05 -0.04 2.99 0.90 1uzbB1 LYS 126 HE3 -0.86 0.03 0.04 -0.04 2.99 2.16 1uzbB1 ASN 127 H 0.14 0.05 0.16 -0.55 8.53 8.33 1uzbB1 ASN 127 HA 0.16 0.33 0.61 -0.75 4.76 5.11 1uzbB1 ASN 127 HB2 0.02 -0.04 0.13 -0.04 2.88 2.95 1uzbB1 ASN 127 HB3 0.07 0.16 0.02 -0.04 2.79 3.00 1uzbB1 ASN 127 HD21 0.05 -0.10 0.06 -0.04 7.03 7.00 1uzbB1 ASN 127 HD22 0.03 0.56 0.07 -0.04 7.74 8.36 1uzbB1 TRP 128 H 0.28 0.24 0.15 -0.55 7.97 8.09 1uzbB1 TRP 128 HA -0.18 0.10 0.30 -0.75 4.62 4.09 1uzbB1 TRP 128 HB2 -0.25 0.03 0.12 -0.04 3.23 3.09 1uzbB1 TRP 128 HB3 -0.90 -0.01 -0.07 -0.04 3.23 2.22 1uzbB1 TRP 128 HD1 -0.18 -0.04 0.04 -0.04 7.22 7.00 1uzbB1 TRP 128 HE1 -0.18 0.23 0.08 -0.04 10.20 10.29 1uzbB1 TRP 128 HE3 -1.24 -0.04 -0.06 -0.04 7.59 6.20 1uzbB1 TRP 128 HZ2 -0.13 0.09 0.02 -0.04 7.44 7.38 1uzbB1 TRP 128 HZ3 -0.15 -0.07 0.03 -0.04 7.13 6.90 1uzbB1 TRP 128 HH2 -0.10 -0.00 0.02 -0.04 7.19 7.07 1uzbB1 VAL 129 H 0.20 0.18 -0.06 -0.55 8.24 8.01 1uzbB1 VAL 129 HA 0.32 0.17 0.52 -0.75 4.13 4.38 1uzbB1 VAL 129 HB 0.12 0.01 0.04 -0.04 2.12 2.25 1uzbB1 VAL 129 HG13 0.09 0.02 -0.11 -0.04 0.97 0.92 1uzbB1 VAL 129 HG23 0.25 0.05 0.03 -0.04 0.95 1.24 1uzbB1 GLU 130 H 0.09 0.12 -0.27 -0.55 8.60 8.00 1uzbB1 GLU 130 HA 0.02 0.07 0.43 -0.75 4.29 4.05 1uzbB1 GLU 130 HB2 0.01 0.03 0.09 -0.04 2.09 2.18 1uzbB1 GLU 130 HB3 -0.15 0.06 0.02 -0.04 1.99 1.88 1uzbB1 GLU 130 HG2 0.07 0.00 0.06 -0.04 2.34 2.44 1uzbB1 GLU 130 HG3 0.13 -0.03 0.14 -0.04 2.34 2.53 1uzbB1 ALA 131 H 0.03 0.52 -0.32 -0.55 8.40 8.08 1uzbB1 ALA 131 HA -0.08 0.01 0.42 -0.75 4.34 3.93 1uzbB1 ALA 131 HB3 -0.04 0.05 0.05 -0.04 1.41 1.44 1uzbB1 SER 132 H 0.12 0.52 -0.08 -0.55 8.46 8.48 1uzbB1 SER 132 HA 0.05 0.01 0.43 -0.75 4.49 4.22 1uzbB1 SER 132 HB2 0.29 0.06 0.13 -0.04 3.95 4.39 1uzbB1 SER 132 HB3 0.15 0.00 0.16 -0.04 3.93 4.20 1uzbB1 ALA 133 H 0.04 0.61 -0.21 -0.55 8.40 8.29 1uzbB1 ALA 133 HA -0.00 0.03 0.42 -0.75 4.34 4.03 1uzbB1 ALA 133 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 1uzbB1 ASP 134 H 0.01 0.47 -0.29 -0.55 8.40 8.04 1uzbB1 ASP 134 HA 0.15 -0.01 0.44 -0.75 4.63 4.45 1uzbB1 ASP 134 HB2 -0.08 0.20 0.19 -0.04 2.71 2.98 1uzbB1 ASP 134 HB3 -0.03 0.17 0.21 -0.04 2.70 3.02 1uzbB1 VAL 135 H 0.01 0.58 -0.02 -0.55 8.24 8.25 1uzbB1 VAL 135 HA 0.03 -0.03 0.37 -0.75 4.13 3.75 1uzbB1 VAL 135 HB -0.00 0.08 0.11 -0.04 2.12 2.27 1uzbB1 VAL 135 HG13 -0.00 0.00 -0.07 -0.04 0.97 0.86 1uzbB1 VAL 135 HG23 -0.01 0.04 -0.04 -0.04 0.95 0.90 1uzbB1 ALA 136 H -0.01 0.60 -0.20 -0.55 8.40 8.24 1uzbB1 ALA 136 HA -0.03 0.01 0.39 -0.75 4.34 3.95 1uzbB1 ALA 136 HB3 -0.04 0.05 0.02 -0.04 1.41 1.40 1uzbB1 GLU 137 H -0.04 0.52 -0.27 -0.55 8.60 8.26 1uzbB1 GLU 137 HA -0.22 -0.01 0.49 -0.75 4.29 3.80 1uzbB1 GLU 137 HB2 -0.13 0.14 0.15 -0.04 2.09 2.20 1uzbB1 GLU 137 HB3 -0.05 0.06 0.19 -0.04 1.99 2.15 1uzbB1 GLU 137 HG2 -0.60 -0.06 -0.14 -0.04 2.34 1.51 1uzbB1 GLU 137 HG3 -0.50 -0.03 0.06 -0.04 2.34 1.82 1uzbB1 ALA 138 H 0.03 0.45 -0.15 -0.55 8.40 8.18 1uzbB1 ALA 138 HA 0.28 0.04 0.46 -0.75 4.34 4.36 1uzbB1 ALA 138 HB3 0.12 0.01 -0.10 -0.04 1.41 1.40 1uzbB1 ILE 139 H 0.02 0.53 -0.14 -0.55 8.25 8.12 1uzbB1 ILE 139 HA 0.07 0.03 0.42 -0.75 4.18 3.95 1uzbB1 ILE 139 HB -0.01 0.13 0.17 -0.04 1.89 2.14 1uzbB1 ILE 139 HG12 0.03 0.01 -0.01 -0.04 1.49 1.48 1uzbB1 ILE 139 HG13 0.02 0.07 0.02 -0.04 1.21 1.29 1uzbB1 ILE 139 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.82 1uzbB1 ILE 139 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.72 1uzbB1 ASP 140 H -0.04 0.49 -0.21 -0.55 8.40 8.09 1uzbB1 ASP 140 HA 0.17 0.03 0.39 -0.75 4.63 4.46 1uzbB1 ASP 140 HB2 -0.24 0.16 0.26 -0.04 2.71 2.84 1uzbB1 ASP 140 HB3 -0.02 -0.07 0.01 -0.04 2.70 2.57 1uzbB1 PHE 141 H -0.11 0.57 -0.12 -0.55 8.34 8.14 1uzbB1 PHE 141 HA -0.46 -0.06 0.41 -0.75 4.62 3.75 1uzbB1 PHE 141 HB2 -0.04 0.18 0.17 -0.04 3.15 3.42 1uzbB1 PHE 141 HB3 -0.10 -0.01 -0.05 -0.04 3.06 2.85 1uzbB1 PHE 141 HD2 -0.38 0.02 0.04 -0.04 7.28 6.92 1uzbB1 PHE 141 HE2 -0.18 -0.12 -0.21 -0.04 7.38 6.84 1uzbB1 PHE 141 HZ -0.18 0.00 -0.11 -0.04 7.32 6.99 1uzbB1 ILE 142 H 0.17 0.47 -0.21 -0.55 8.25 8.13 1uzbB1 ILE 142 HA 0.20 0.03 0.33 -0.75 4.18 3.99 1uzbB1 ILE 142 HB 0.14 0.08 0.13 -0.04 1.89 2.21 1uzbB1 ILE 142 HG12 0.22 -0.03 -0.05 -0.04 1.49 1.59 1uzbB1 ILE 142 HG13 0.19 0.16 0.04 -0.04 1.21 1.56 1uzbB1 ILE 142 HG23 0.17 -0.03 -0.15 -0.04 0.93 0.88 1uzbB1 ILE 142 HD13 0.18 -0.03 -0.15 -0.04 0.88 0.84 1uzbB1 GLU 143 H 0.15 0.60 -0.05 -0.55 8.60 8.75 1uzbB1 GLU 143 HA 0.15 0.03 0.35 -0.75 4.29 4.07 1uzbB1 GLU 143 HB2 0.34 0.04 0.12 -0.04 2.09 2.55 1uzbB1 GLU 143 HB3 0.26 -0.04 -0.01 -0.04 1.99 2.17 1uzbB1 GLU 143 HG2 0.10 0.08 0.06 -0.04 2.34 2.54 1uzbB1 GLU 143 HG3 0.04 -0.04 -0.04 -0.04 2.34 2.27 1uzbB1 TYR 144 H 0.19 0.69 -0.18 -0.55 8.29 8.45 1uzbB1 TYR 144 HA -0.23 0.02 0.42 -0.75 4.56 4.02 1uzbB1 TYR 144 HB2 -0.71 0.04 0.01 -0.04 3.06 2.35 1uzbB1 TYR 144 HB3 -0.45 0.01 0.10 -0.04 2.98 2.60 1uzbB1 TYR 144 HD2 -0.84 0.03 -0.25 -0.04 7.15 6.06 1uzbB1 TYR 144 HE2 -0.08 0.02 -0.32 -0.04 6.85 6.42 1uzbB1 TYR 145 H 0.04 0.74 -0.00 -0.55 8.29 8.51 1uzbB1 TYR 145 HA 0.09 -0.04 0.38 -0.75 4.56 4.23 1uzbB1 TYR 145 HB2 0.12 0.13 0.03 -0.04 3.06 3.29 1uzbB1 TYR 145 HB3 0.08 0.06 -0.02 -0.04 2.98 3.06 1uzbB1 TYR 145 HD2 0.19 0.00 -0.15 -0.04 7.15 7.15 1uzbB1 TYR 145 HE2 -0.09 -0.03 0.02 -0.04 6.85 6.71 1uzbB1 ALA 146 H 0.16 0.49 -0.33 -0.55 8.40 8.18 1uzbB1 ALA 146 HA 0.11 0.05 0.41 -0.75 4.34 4.17 1uzbB1 ALA 146 HB3 0.11 0.03 0.08 -0.04 1.41 1.59 1uzbB1 ARG 147 H 0.01 0.34 -0.28 -0.55 8.46 7.99 1uzbB1 ARG 147 HA 0.01 0.05 0.53 -0.75 4.34 4.17 1uzbB1 ARG 147 HB2 -0.15 0.09 0.17 -0.04 1.90 1.97 1uzbB1 ARG 147 HB3 -0.06 -0.06 0.01 -0.04 1.80 1.65 1uzbB1 ARG 147 HG2 0.03 -0.06 -0.01 -0.04 1.67 1.59 1uzbB1 ARG 147 HG3 0.06 0.11 0.06 -0.04 1.67 1.86 1uzbB1 ARG 147 HD2 0.16 0.02 -0.01 -0.04 3.22 3.35 1uzbB1 ARG 147 HD3 0.06 -0.10 0.02 -0.04 3.22 3.16 1uzbB1 ALA 148 H -0.15 0.66 0.05 -0.55 8.40 8.42 1uzbB1 ALA 148 HA -0.08 0.00 0.37 -0.75 4.34 3.87 1uzbB1 ALA 148 HB3 -0.04 -0.01 0.02 -0.04 1.41 1.34 1uzbB1 ALA 149 H 0.08 0.58 -0.34 -0.55 8.40 8.18 1uzbB1 ALA 149 HA 0.18 0.01 0.32 -0.75 4.34 4.10 1uzbB1 ALA 149 HB3 0.06 0.05 -0.03 -0.04 1.41 1.45 1uzbB1 LEU 150 H 0.05 0.38 -0.40 -0.55 8.37 7.85 1uzbB1 LEU 150 HA 0.06 -0.01 0.41 -0.75 4.35 4.06 1uzbB1 LEU 150 HB2 0.02 0.22 0.12 -0.04 1.64 1.95 1uzbB1 LEU 150 HB3 0.02 -0.05 0.06 -0.04 1.64 1.63 1uzbB1 LEU 150 HG 0.04 0.15 0.04 -0.04 1.64 1.83 1uzbB1 LEU 150 HD13 0.02 -0.02 0.03 -0.04 0.93 0.92 1uzbB1 LEU 150 HD23 0.03 -0.03 -0.08 -0.04 0.89 0.77 1uzbB1 ARG 151 H 0.03 0.44 -0.41 -0.55 8.46 7.97 1uzbB1 ARG 151 HA -0.06 0.04 0.46 -0.75 4.34 4.02 1uzbB1 ARG 151 HB2 -0.22 0.20 0.10 -0.04 1.90 1.94 1uzbB1 ARG 151 HB3 -0.25 -0.07 0.11 -0.04 1.80 1.55 1uzbB1 ARG 151 HG2 -0.05 0.07 0.05 -0.04 1.67 1.70 1uzbB1 ARG 151 HG3 -0.09 -0.10 0.05 -0.04 1.67 1.49 1uzbB1 ARG 151 HD2 -0.06 0.05 0.01 -0.04 3.22 3.18 1uzbB1 ARG 151 HD3 -0.05 -0.03 -0.02 -0.04 3.22 3.08 1uzbB1 TYR 152 H 0.18 0.43 -0.45 -0.55 8.29 7.89 1uzbB1 TYR 152 HA 0.13 0.14 0.83 -0.75 4.56 4.91 1uzbB1 TYR 152 HB2 0.00 0.16 0.04 -0.04 3.06 3.22 1uzbB1 TYR 152 HB3 0.03 -0.07 0.10 -0.04 2.98 3.00 1uzbB1 TYR 152 HD2 -0.38 0.05 -0.05 -0.04 7.15 6.73 1uzbB1 TYR 152 HE2 -0.17 -0.03 -0.08 -0.04 6.85 6.53 1uzbB1 ARG 153 H 0.11 0.31 -0.27 -0.55 8.46 8.06 1uzbB1 ARG 153 HA 0.16 0.04 0.39 -0.75 4.34 4.18 1uzbB1 ARG 153 HB2 0.08 -0.12 0.13 -0.04 1.90 1.96 1uzbB1 ARG 153 HB3 0.08 -0.02 0.17 -0.04 1.80 1.99 1uzbB1 ARG 153 HG2 0.04 0.24 0.06 -0.04 1.67 1.97 1uzbB1 ARG 153 HG3 0.05 0.04 -0.29 -0.04 1.67 1.43 1uzbB1 ARG 153 HD2 0.04 -0.09 0.01 -0.04 3.22 3.14 1uzbB1 ARG 153 HD3 0.03 -0.04 0.06 -0.04 3.22 3.24 1uzbB1 TYR 154 H 0.21 0.08 0.21 -0.55 8.29 8.24 1uzbB1 TYR 154 HA 0.06 -0.08 0.55 -0.75 4.56 4.33 1uzbB1 TYR 154 HB2 -0.06 0.10 0.21 -0.04 3.06 3.27 1uzbB1 TYR 154 HB3 -0.05 -0.05 0.22 -0.04 2.98 3.05 1uzbB1 TYR 154 HD2 -0.34 -0.01 -0.02 -0.04 7.15 6.73 1uzbB1 TYR 154 HE2 -0.59 -0.03 -0.06 -0.04 6.85 6.13 1uzbB1 PRO 155 HA -0.11 -0.07 0.50 -0.51 4.44 4.25 1uzbB1 PRO 155 HB2 -0.18 0.10 0.08 -0.04 2.28 2.24 1uzbB1 PRO 155 HB3 -0.91 -0.04 0.05 -0.04 2.02 1.08 1uzbB1 PRO 155 HG2 -0.21 0.05 0.26 -0.04 2.03 2.09 1uzbB1 PRO 155 HG3 -0.39 -0.04 0.09 -0.04 2.03 1.65 1uzbB1 PRO 155 HD2 -0.22 0.09 0.48 -0.04 3.68 4.00 1uzbB1 PRO 155 HD3 -0.67 0.05 -0.27 -0.04 3.65 2.72 1uzbB1 ALA 156 H 0.07 0.02 0.16 -0.55 8.40 8.10 1uzbB1 ALA 156 HA 0.01 0.20 0.72 -0.75 4.34 4.51 1uzbB1 ALA 156 HB3 0.19 0.05 -0.01 -0.04 1.41 1.59 1uzbB1 VAL 157 H -0.08 0.28 -0.04 -0.55 8.24 7.85 1uzbB1 VAL 157 HA -0.01 0.11 0.66 -0.75 4.13 4.14 1uzbB1 VAL 157 HB -0.12 -0.03 -0.03 -0.04 2.12 1.90 1uzbB1 VAL 157 HG13 -0.06 0.00 -0.22 -0.04 0.97 0.66 1uzbB1 VAL 157 HG23 -0.45 -0.01 -0.22 -0.04 0.95 0.23 1uzbB1 GLU 158 H 0.00 0.13 0.17 -0.55 8.60 8.36 1uzbB1 GLU 158 HA -0.01 0.10 0.63 -0.75 4.29 4.26 1uzbB1 GLU 158 HB2 0.00 0.06 0.12 -0.04 2.09 2.23 1uzbB1 GLU 158 HB3 0.01 -0.05 0.20 -0.04 1.99 2.11 1uzbB1 GLU 158 HG2 0.00 0.01 -0.22 -0.04 2.34 2.09 1uzbB1 GLU 158 HG3 -0.00 0.02 0.02 -0.04 2.34 2.34 1uzbB1 VAL 159 H -0.01 0.24 0.22 -0.55 8.24 8.15 1uzbB1 VAL 159 HA -0.00 0.18 0.92 -0.75 4.13 4.48 1uzbB1 VAL 159 HB -0.00 -0.03 0.02 -0.04 2.12 2.06 1uzbB1 VAL 159 HG13 -0.03 0.01 -0.34 -0.04 0.97 0.58 1uzbB1 VAL 159 HG23 0.00 0.02 -0.15 -0.04 0.95 0.78 1uzbB1 VAL 160 H 0.01 0.12 0.12 -0.55 8.24 7.94 1uzbB1 VAL 160 HA 0.02 0.14 0.69 -0.75 4.13 4.23 1uzbB1 VAL 160 HB 0.03 -0.04 0.12 -0.04 2.12 2.20 1uzbB1 VAL 160 HG13 0.04 0.05 -0.03 -0.04 0.97 0.99 1uzbB1 VAL 160 HG23 0.02 -0.01 -0.00 -0.04 0.95 0.92 1uzbB1 PRO 161 HA 0.07 0.09 0.54 -0.51 4.44 4.63 1uzbB1 PRO 161 HB2 0.04 0.00 0.02 -0.04 2.28 2.30 1uzbB1 PRO 161 HB3 0.04 0.05 0.12 -0.04 2.02 2.18 1uzbB1 PRO 161 HG2 0.02 -0.02 0.04 -0.04 2.03 2.03 1uzbB1 PRO 161 HG3 0.02 0.03 0.08 -0.04 2.03 2.11 1uzbB1 PRO 161 HD2 0.02 0.03 0.26 -0.04 3.68 3.96 1uzbB1 PRO 161 HD3 0.02 0.26 0.24 -0.04 3.65 4.14 1uzbB1 TYR 162 H 0.14 0.27 0.17 -0.55 8.29 8.32 1uzbB1 TYR 162 HA 0.01 0.17 0.78 -0.75 4.56 4.77 1uzbB1 TYR 162 HB2 -0.00 0.06 -0.18 -0.04 3.06 2.90 1uzbB1 TYR 162 HB3 0.00 -0.05 -0.05 -0.04 2.98 2.84 1uzbB1 TYR 162 HD2 -0.00 0.04 -0.10 -0.04 7.15 7.05 1uzbB1 TYR 162 HE2 -0.00 -0.03 -0.02 -0.04 6.85 6.76 1uzbB1 PRO 163 HA -0.07 -0.01 0.47 -0.51 4.44 4.33 1uzbB1 PRO 163 HB2 -0.30 0.02 0.06 -0.04 2.28 2.03 1uzbB1 PRO 163 HB3 -0.14 0.01 0.09 -0.04 2.02 1.94 1uzbB1 PRO 163 HG2 -0.32 0.04 0.08 -0.04 2.03 1.78 1uzbB1 PRO 163 HG3 -0.19 0.04 0.07 -0.04 2.03 1.90 1uzbB1 PRO 163 HD2 -1.65 0.11 0.18 -0.04 3.68 2.27 1uzbB1 PRO 163 HD3 -0.43 0.19 0.19 -0.04 3.65 3.56 1uzbB1 GLY 164 H 0.04 0.12 0.22 -0.55 8.43 8.26 1uzbB1 GLY 164 HA2 0.15 -0.01 0.38 -0.51 4.01 4.02 1uzbB1 GLY 164 HA3 0.09 0.03 0.41 -0.51 4.01 4.04 1uzbB1 GLU 165 H 0.15 0.37 -0.17 -0.55 8.60 8.40 1uzbB1 GLU 165 HA -0.11 0.22 1.11 -0.75 4.29 4.75 1uzbB1 GLU 165 HB2 0.20 0.03 -0.17 -0.04 2.09 2.11 1uzbB1 GLU 165 HB3 0.01 0.01 -0.19 -0.04 1.99 1.78 1uzbB1 GLU 165 HG2 -0.03 -0.05 -0.14 -0.04 2.34 2.07 1uzbB1 GLU 165 HG3 0.18 0.07 -0.34 -0.04 2.34 2.21 1uzbB1 ASP 166 H -0.22 0.54 0.35 -0.55 8.40 8.51 1uzbB1 ASP 166 HA 0.13 0.14 0.87 -0.75 4.63 5.02 1uzbB1 ASP 166 HB2 0.40 -0.01 0.06 -0.04 2.71 3.12 1uzbB1 ASP 166 HB3 0.00 -0.05 0.19 -0.04 2.70 2.80 1uzbB1 ASN 167 H 0.05 0.26 0.09 -0.55 8.53 8.39 1uzbB1 ASN 167 HA 0.01 0.20 0.89 -0.75 4.76 5.10 1uzbB1 ASN 167 HB2 0.04 -0.01 0.05 -0.04 2.88 2.92 1uzbB1 ASN 167 HB3 0.01 0.02 -0.09 -0.04 2.79 2.69 1uzbB1 ASN 167 HD21 0.04 -0.01 -0.21 -0.04 7.03 6.81 1uzbB1 ASN 167 HD22 0.09 -0.04 -0.20 -0.04 7.74 7.55 1uzbB1 GLU 168 H 0.04 0.70 0.21 -0.55 8.60 9.01 1uzbB1 GLU 168 HA 0.03 0.19 0.99 -0.75 4.29 4.74 1uzbB1 GLU 168 HB2 0.06 -0.05 -0.12 -0.04 2.09 1.94 1uzbB1 GLU 168 HB3 0.16 0.01 0.14 -0.04 1.99 2.26 1uzbB1 GLU 168 HG2 0.21 0.01 -0.26 -0.04 2.34 2.26 1uzbB1 GLU 168 HG3 -0.05 0.06 0.02 -0.04 2.34 2.33 1uzbB1 SER 169 H 0.00 0.29 0.18 -0.55 8.46 8.39 1uzbB1 SER 169 HA -0.14 0.38 1.22 -0.75 4.49 5.19 1uzbB1 SER 169 HB2 -0.08 0.00 0.01 -0.04 3.95 3.84 1uzbB1 SER 169 HB3 -0.18 0.03 -0.04 -0.04 3.93 3.70 1uzbB1 PHE 170 H -0.55 0.67 0.42 -0.55 8.34 8.32 1uzbB1 PHE 170 HA -0.22 -0.01 0.79 -0.75 4.62 4.42 1uzbB1 PHE 170 HB2 0.17 0.10 0.18 -0.04 3.15 3.56 1uzbB1 PHE 170 HB3 -0.01 -0.04 -0.03 -0.04 3.06 2.94 1uzbB1 PHE 170 HD2 0.10 0.08 -0.34 -0.04 7.28 7.09 1uzbB1 PHE 170 HE2 0.08 0.01 -0.10 -0.04 7.38 7.34 1uzbB1 PHE 170 HZ 0.06 -0.02 -0.08 -0.04 7.32 7.23 1uzbB1 TYR 171 H 0.27 0.16 0.23 -0.55 8.29 8.40 1uzbB1 TYR 171 HA 0.05 0.27 1.03 -0.75 4.56 5.16 1uzbB1 TYR 171 HB2 0.16 0.10 0.12 -0.04 3.06 3.40 1uzbB1 TYR 171 HB3 0.06 0.07 0.03 -0.04 2.98 3.10 1uzbB1 TYR 171 HD2 0.13 0.15 -0.13 -0.04 7.15 7.26 1uzbB1 TYR 171 HE2 0.09 0.02 -0.14 -0.04 6.85 6.78 1uzbB1 VAL 172 H 0.19 0.62 0.43 -0.55 8.24 8.93 1uzbB1 VAL 172 HA 0.18 0.21 0.84 -0.75 4.13 4.61 1uzbB1 VAL 172 HB 0.16 0.11 0.09 -0.04 2.12 2.44 1uzbB1 VAL 172 HG13 0.28 -0.03 -0.18 -0.04 0.97 1.00 1uzbB1 VAL 172 HG23 0.10 -0.00 -0.07 -0.04 0.95 0.94 1uzbB1 PRO 173 HA 0.06 0.23 0.64 -0.51 4.44 4.85 1uzbB1 PRO 173 HB2 0.34 -0.08 -0.31 -0.04 2.28 2.19 1uzbB1 PRO 173 HB3 0.10 0.18 -0.12 -0.04 2.02 2.13 1uzbB1 PRO 173 HG2 0.31 -0.05 -0.01 -0.04 2.03 2.23 1uzbB1 PRO 173 HG3 0.06 0.11 0.17 -0.04 2.03 2.33 1uzbB1 PRO 173 HD2 0.10 0.02 0.28 -0.04 3.68 4.05 1uzbB1 PRO 173 HD3 0.06 0.28 0.26 -0.04 3.65 4.22 1uzbB1 LEU 174 H 0.00 0.21 0.11 -0.55 8.37 8.15 1uzbB1 LEU 174 HA 0.01 0.12 0.50 -0.75 4.35 4.23 1uzbB1 LEU 174 HB2 -0.02 -0.06 -0.03 -0.04 1.64 1.49 1uzbB1 LEU 174 HB3 -0.09 -0.00 -0.11 -0.04 1.64 1.39 1uzbB1 LEU 174 HG -0.09 0.13 -0.37 -0.04 1.64 1.27 1uzbB1 LEU 174 HD13 -0.14 0.03 -0.08 -0.04 0.93 0.70 1uzbB1 LEU 174 HD23 -0.04 0.03 -0.28 -0.04 0.89 0.56 1uzbB1 GLY 175 H -0.21 0.17 0.06 -0.55 8.43 7.90 1uzbB1 GLY 175 HA2 -2.89 0.08 0.22 -0.51 4.01 0.92 1uzbB1 GLY 175 HA3 -0.92 0.13 0.73 -0.51 4.01 3.44 1uzbB1 ALA 176 H -2.37 0.19 0.16 -0.55 8.40 5.84 1uzbB1 ALA 176 HA -0.65 0.28 0.90 -0.75 4.34 4.12 1uzbB1 ALA 176 HB3 -1.41 0.02 -0.02 -0.04 1.41 -0.05 1uzbB1 GLY 177 H -0.61 0.60 0.40 -0.55 8.43 8.28 1uzbB1 GLY 177 HA2 -0.80 0.07 1.00 -0.51 4.01 3.77 1uzbB1 GLY 177 HA3 -2.54 0.05 0.35 -0.51 4.01 1.36 1uzbB1 VAL 178 H -0.36 0.60 0.39 -0.55 8.24 8.32 1uzbB1 VAL 178 HA -0.12 0.24 1.22 -0.75 4.13 4.71 1uzbB1 VAL 178 HB -0.08 -0.02 -0.04 -0.04 2.12 1.95 1uzbB1 VAL 178 HG13 -0.02 0.01 0.01 -0.04 0.97 0.92 1uzbB1 VAL 178 HG23 0.02 -0.01 -0.13 -0.04 0.95 0.80 1uzbB1 VAL 179 H 0.01 0.73 0.44 -0.55 8.24 8.86 1uzbB1 VAL 179 HA 0.13 0.30 1.03 -0.75 4.13 4.83 1uzbB1 VAL 179 HB -0.00 -0.08 0.08 -0.04 2.12 2.08 1uzbB1 VAL 179 HG13 0.01 -0.02 -0.26 -0.04 0.97 0.65 1uzbB1 VAL 179 HG23 0.01 0.01 -0.23 -0.04 0.95 0.70 1uzbB1 ILE 180 H 0.19 0.76 0.31 -0.55 8.25 8.97 1uzbB1 ILE 180 HA 0.18 0.17 0.94 -0.75 4.18 4.72 1uzbB1 ILE 180 HB 0.52 -0.05 0.20 -0.04 1.89 2.52 1uzbB1 ILE 180 HG12 0.15 -0.00 -0.09 -0.04 1.49 1.51 1uzbB1 ILE 180 HG13 0.16 0.01 -0.38 -0.04 1.21 0.96 1uzbB1 ILE 180 HG23 0.33 -0.01 -0.07 -0.04 0.93 1.14 1uzbB1 ILE 180 HD13 0.11 -0.00 -0.09 -0.04 0.88 0.86 1uzbB1 ALA 181 H 0.22 0.47 0.12 -0.55 8.40 8.66 1uzbB1 ALA 181 HA 0.09 0.16 0.74 -0.75 4.34 4.57 1uzbB1 ALA 181 HB3 0.36 -0.01 -0.01 -0.04 1.41 1.72 1uzbB1 PRO 182 HA -0.01 0.12 0.69 -0.51 4.44 4.74 1uzbB1 PRO 182 HB2 -0.18 -0.19 0.05 -0.04 2.28 1.92 1uzbB1 PRO 182 HB3 -0.14 0.21 -0.01 -0.04 2.02 2.03 1uzbB1 PRO 182 HG2 0.10 -0.13 -0.13 -0.04 2.03 1.82 1uzbB1 PRO 182 HG3 0.03 0.06 -0.00 -0.04 2.03 2.08 1uzbB1 PRO 182 HD2 0.13 0.06 0.08 -0.04 3.68 3.91 1uzbB1 PRO 182 HD3 -0.00 0.26 0.19 -0.04 3.65 4.05 1uzbB1 TRP 183 H -0.38 0.15 0.18 -0.55 7.97 7.38 1uzbB1 TRP 183 HA 0.08 0.20 0.73 -0.75 4.62 4.88 1uzbB1 TRP 183 HB2 0.09 0.13 0.04 -0.04 3.23 3.45 1uzbB1 TRP 183 HB3 0.07 -0.14 0.03 -0.04 3.23 3.16 1uzbB1 TRP 183 HD1 0.06 -0.04 0.09 -0.04 7.22 7.30 1uzbB1 TRP 183 HE1 0.02 0.01 0.05 -0.04 10.20 10.23 1uzbB1 TRP 183 HE3 0.23 0.06 -0.41 -0.04 7.59 7.43 1uzbB1 TRP 183 HZ2 0.16 0.04 0.05 -0.04 7.44 7.64 1uzbB1 TRP 183 HZ3 0.11 0.14 0.06 -0.04 7.13 7.40 1uzbB1 TRP 183 HH2 0.22 0.15 0.09 -0.04 7.19 7.62 1uzbB1 ASN 184 H -0.44 -0.01 -0.04 -0.55 8.53 7.49 1uzbB1 ASN 184 HA 0.33 0.24 0.58 -0.75 4.76 5.15 1uzbB1 ASN 184 HB2 0.06 0.28 0.20 -0.04 2.88 3.37 1uzbB1 ASN 184 HB3 -0.70 -0.04 0.12 -0.04 2.79 2.13 1uzbB1 ASN 184 HD21 0.38 -0.17 0.02 -0.04 7.03 7.22 1uzbB1 ASN 184 HD22 0.20 0.42 0.19 -0.04 7.74 8.51 1uzbB1 PHE 185 H 0.12 0.06 -0.43 -0.55 8.34 7.53 1uzbB1 PHE 185 HA -0.05 0.21 0.65 -0.75 4.62 4.68 1uzbB1 PHE 185 HB2 -0.00 0.00 0.10 -0.04 3.15 3.22 1uzbB1 PHE 185 HB3 0.02 -0.23 0.21 -0.04 3.06 3.02 1uzbB1 PHE 185 HD2 -0.05 -0.10 -0.06 -0.04 7.28 7.03 1uzbB1 PHE 185 HE2 -0.08 -0.03 -0.02 -0.04 7.38 7.22 1uzbB1 PHE 185 HZ -0.08 -0.02 -0.05 -0.04 7.32 7.12 1uzbB1 PRO 186 HA 0.14 0.14 0.43 -0.51 4.44 4.64 1uzbB1 PRO 186 HB2 -0.03 0.04 0.07 -0.04 2.28 2.31 1uzbB1 PRO 186 HB3 0.11 0.04 0.12 -0.04 2.02 2.25 1uzbB1 PRO 186 HG2 -0.00 -0.02 -0.11 -0.04 2.03 1.85 1uzbB1 PRO 186 HG3 0.06 0.15 0.01 -0.04 2.03 2.21 1uzbB1 PRO 186 HD2 -0.09 0.12 -0.16 -0.04 3.68 3.51 1uzbB1 PRO 186 HD3 0.05 0.38 -0.56 -0.04 3.65 3.48 1uzbB1 VAL 187 H 0.11 -0.05 -0.49 -0.55 8.24 7.25 1uzbB1 VAL 187 HA 0.10 0.29 0.84 -0.75 4.13 4.62 1uzbB1 VAL 187 HB 0.06 -0.10 -0.06 -0.04 2.12 1.98 1uzbB1 VAL 187 HG13 0.05 0.02 -0.12 -0.04 0.97 0.88 1uzbB1 VAL 187 HG23 -0.01 0.03 -0.17 -0.04 0.95 0.75 1uzbB1 ALA 188 H 0.18 0.03 -0.04 -0.55 8.40 8.02 1uzbB1 ALA 188 HA 0.24 0.06 0.34 -0.75 4.34 4.23 1uzbB1 ALA 188 HB3 0.19 0.09 0.12 -0.04 1.41 1.77 1uzbB1 ILE 189 H 0.24 0.27 0.07 -0.55 8.25 8.29 1uzbB1 ILE 189 HA 0.01 0.07 0.45 -0.75 4.18 3.96 1uzbB1 ILE 189 HB 0.16 0.11 0.11 -0.04 1.89 2.23 1uzbB1 ILE 189 HG12 0.01 0.05 -0.01 -0.04 1.49 1.49 1uzbB1 ILE 189 HG13 0.02 -0.08 0.05 -0.04 1.21 1.16 1uzbB1 ILE 189 HG23 0.02 0.01 -0.09 -0.04 0.93 0.84 1uzbB1 ILE 189 HD13 -0.06 -0.01 -0.01 -0.04 0.88 0.77 1uzbB1 PHE 190 H 0.31 0.18 -0.35 -0.55 8.34 7.93 1uzbB1 PHE 190 HA 0.10 0.02 0.29 -0.75 4.62 4.27 1uzbB1 PHE 190 HB2 0.12 -0.05 -0.03 -0.04 3.15 3.15 1uzbB1 PHE 190 HB3 0.10 0.07 -0.26 -0.04 3.06 2.94 1uzbB1 PHE 190 HD2 0.13 -0.03 -0.11 -0.04 7.28 7.22 1uzbB1 PHE 190 HE2 0.25 -0.01 -0.16 -0.04 7.38 7.42 1uzbB1 PHE 190 HZ 0.65 0.02 -0.10 -0.04 7.32 7.85 1uzbB1 THR 191 H 0.27 0.50 -0.33 -0.55 8.28 8.17 1uzbB1 THR 191 HA 0.12 0.04 0.35 -0.75 4.39 4.14 1uzbB1 THR 191 HB 0.22 0.06 0.18 -0.04 4.32 4.74 1uzbB1 THR 191 HG23 0.22 -0.01 -0.15 -0.04 1.22 1.24 1uzbB1 GLY 192 H -0.03 0.61 0.00 -0.55 8.43 8.46 1uzbB1 GLY 192 HA2 -0.13 -0.00 0.33 -0.51 4.01 3.70 1uzbB1 GLY 192 HA3 -1.03 0.01 0.30 -0.51 4.01 2.78 1uzbB1 MET 193 H -0.14 0.60 -0.20 -0.55 8.47 8.19 1uzbB1 MET 193 HA -0.01 0.02 0.30 -0.75 4.52 4.08 1uzbB1 MET 193 HB2 -0.05 0.10 -0.03 -0.04 2.15 2.13 1uzbB1 MET 193 HB3 0.02 -0.02 -0.06 -0.04 2.03 1.93 1uzbB1 MET 193 HG2 0.06 -0.04 -0.08 -0.04 2.63 2.53 1uzbB1 MET 193 HG3 -0.05 0.08 0.04 -0.04 2.56 2.58 1uzbB1 MET 193 HE3 0.10 0.05 -0.37 -0.04 2.10 1.83 1uzbB1 ILE 194 H -0.15 0.26 -0.54 -0.55 8.25 7.28 1uzbB1 ILE 194 HA -0.19 0.12 0.62 -0.75 4.18 3.97 1uzbB1 ILE 194 HB -0.20 0.07 0.13 -0.04 1.89 1.85 1uzbB1 ILE 194 HG12 -0.20 -0.06 -0.11 -0.04 1.49 1.08 1uzbB1 ILE 194 HG13 -0.32 0.10 -0.05 -0.04 1.21 0.91 1uzbB1 ILE 194 HG23 -0.43 -0.02 -0.20 -0.04 0.93 0.24 1uzbB1 ILE 194 HD13 -0.55 -0.04 -0.13 -0.04 0.88 0.12 1uzbB1 VAL 195 H -0.10 0.63 0.10 -0.55 8.24 8.32 1uzbB1 VAL 195 HA -0.23 0.07 0.31 -0.75 4.13 3.53 1uzbB1 VAL 195 HB 0.07 -0.01 0.01 -0.04 2.12 2.15 1uzbB1 VAL 195 HG13 -0.08 0.02 -0.01 -0.04 0.97 0.86 1uzbB1 VAL 195 HG23 0.23 0.04 -0.19 -0.04 0.95 0.99 1uzbB1 GLY 196 H -0.14 0.45 -0.30 -0.55 8.43 7.89 1uzbB1 GLY 196 HA2 -0.46 -0.02 0.37 -0.51 4.01 3.39 1uzbB1 GLY 196 HA3 -0.56 0.04 0.20 -0.51 4.01 3.18 1uzbB1 PRO 197 HA -0.77 0.07 0.38 -0.51 4.44 3.61 1uzbB1 PRO 197 HB2 -0.35 0.08 -0.09 -0.04 2.28 1.88 1uzbB1 PRO 197 HB3 -0.83 0.00 -0.02 -0.04 2.02 1.13 1uzbB1 PRO 197 HG2 -0.70 0.12 0.01 -0.04 2.03 1.42 1uzbB1 PRO 197 HG3 -3.31 -0.03 -0.06 -0.04 2.03 -1.40 1uzbB1 PRO 197 HD2 -0.45 0.23 -0.35 -0.04 3.68 3.06 1uzbB1 PRO 197 HD3 -0.76 -0.01 -0.05 -0.04 3.65 2.79 1uzbB1 VAL 198 H -0.25 0.41 -0.31 -0.55 8.24 7.53 1uzbB1 VAL 198 HA 0.09 0.33 0.36 -0.75 4.13 4.16 1uzbB1 VAL 198 HB -0.23 -0.06 0.01 -0.04 2.12 1.80 1uzbB1 VAL 198 HG13 -0.16 -0.01 -0.18 -0.04 0.97 0.58 1uzbB1 VAL 198 HG23 -0.35 0.03 -0.08 -0.04 0.95 0.51 1uzbB1 ALA 199 H -0.05 0.53 -0.29 -0.55 8.40 8.04 1uzbB1 ALA 199 HA 0.15 -0.02 0.27 -0.75 4.34 3.99 1uzbB1 ALA 199 HB3 0.04 0.01 0.03 -0.04 1.41 1.45 1uzbB1 VAL 200 H -0.09 0.28 -0.32 -0.55 8.24 7.56 1uzbB1 VAL 200 HA -0.06 0.13 0.72 -0.75 4.13 4.16 1uzbB1 VAL 200 HB -0.09 -0.01 0.09 -0.04 2.12 2.07 1uzbB1 VAL 200 HG13 -0.15 -0.02 -0.07 -0.04 0.97 0.70 1uzbB1 VAL 200 HG23 -0.15 0.03 -0.04 -0.04 0.95 0.75 1uzbB1 GLY 201 H 0.02 0.45 -0.37 -0.55 8.43 7.97 1uzbB1 GLY 201 HA2 -0.47 0.05 0.19 -0.51 4.01 3.27 1uzbB1 GLY 201 HA3 -0.08 0.19 0.94 -0.51 4.01 4.55 1uzbB1 ASN 202 H 0.11 0.36 0.08 -0.55 8.53 8.54 1uzbB1 ASN 202 HA 0.30 0.08 0.72 -0.75 4.76 5.11 1uzbB1 ASN 202 HB2 -0.04 -0.03 -0.22 -0.04 2.88 2.55 1uzbB1 ASN 202 HB3 0.18 0.10 0.14 -0.04 2.79 3.17 1uzbB1 ASN 202 HD21 -0.09 0.49 0.20 -0.04 7.03 7.59 1uzbB1 ASN 202 HD22 -0.16 0.27 0.16 -0.04 7.74 7.96 1uzbB1 THR 203 H -0.07 0.47 0.31 -0.55 8.28 8.44 1uzbB1 THR 203 HA -0.20 0.26 0.95 -0.75 4.39 4.64 1uzbB1 THR 203 HB -0.21 0.12 0.20 -0.04 4.32 4.39 1uzbB1 THR 203 HG23 0.00 -0.01 -0.19 -0.04 1.22 0.98 1uzbB1 VAL 204 H -0.22 0.76 0.37 -0.55 8.24 8.60 1uzbB1 VAL 204 HA -0.20 0.26 1.13 -0.75 4.13 4.57 1uzbB1 VAL 204 HB -0.19 -0.02 0.05 -0.04 2.12 1.93 1uzbB1 VAL 204 HG13 -0.07 -0.05 -0.30 -0.04 0.97 0.51 1uzbB1 VAL 204 HG23 -0.03 0.02 -0.32 -0.04 0.95 0.58 1uzbB1 ILE 205 H -0.14 0.63 0.39 -0.55 8.25 8.58 1uzbB1 ILE 205 HA -0.03 0.08 0.85 -0.75 4.18 4.32 1uzbB1 ILE 205 HB -0.09 0.01 0.17 -0.04 1.89 1.94 1uzbB1 ILE 205 HG12 -0.08 -0.02 -0.17 -0.04 1.49 1.18 1uzbB1 ILE 205 HG13 -0.16 0.05 -0.26 -0.04 1.21 0.80 1uzbB1 ILE 205 HG23 -0.03 -0.03 -0.17 -0.04 0.93 0.67 1uzbB1 ILE 205 HD13 -0.09 -0.00 -0.21 -0.04 0.88 0.54 1uzbB1 ALA 206 H 0.06 0.82 0.31 -0.55 8.40 9.05 1uzbB1 ALA 206 HA 0.05 0.22 1.17 -0.75 4.34 5.03 1uzbB1 ALA 206 HB3 0.12 0.00 0.01 -0.04 1.41 1.50 1uzbB1 LYS 207 H 0.12 0.84 0.36 -0.55 8.42 9.18 1uzbB1 LYS 207 HA 0.02 0.19 0.86 -0.75 4.32 4.63 1uzbB1 LYS 207 HB2 0.05 -0.03 -0.00 -0.04 1.87 1.85 1uzbB1 LYS 207 HB3 0.11 -0.04 0.24 -0.04 1.79 2.06 1uzbB1 LYS 207 HG2 0.06 0.22 -0.10 -0.04 1.46 1.59 1uzbB1 LYS 207 HG3 0.02 0.07 0.04 -0.04 1.46 1.54 1uzbB1 LYS 207 HD2 0.07 -0.14 -0.05 -0.04 1.69 1.54 1uzbB1 LYS 207 HD3 0.12 -0.03 -0.03 -0.04 1.68 1.69 1uzbB1 LYS 207 HE2 0.07 0.12 0.01 -0.04 2.99 3.14 1uzbB1 LYS 207 HE3 0.04 -0.08 -0.08 -0.04 2.99 2.83 1uzbB1 PRO 208 HA 0.34 0.04 0.45 -0.51 4.44 4.77 1uzbB1 PRO 208 HB2 0.06 0.08 -0.13 -0.04 2.28 2.25 1uzbB1 PRO 208 HB3 0.18 0.04 0.00 -0.04 2.02 2.20 1uzbB1 PRO 208 HG2 -0.03 -0.04 -0.09 -0.04 2.03 1.83 1uzbB1 PRO 208 HG3 -0.11 0.08 -0.02 -0.04 2.03 1.93 1uzbB1 PRO 208 HD2 -0.14 0.14 -0.17 -0.04 3.68 3.46 1uzbB1 PRO 208 HD3 0.03 0.19 -0.06 -0.04 3.65 3.77 1uzbB1 ALA 209 H 0.17 0.13 -0.04 -0.55 8.40 8.11 1uzbB1 ALA 209 HA 0.18 0.13 0.54 -0.75 4.34 4.43 1uzbB1 ALA 209 HB3 0.31 0.03 -0.07 -0.04 1.41 1.64 1uzbB1 GLU 210 H 0.11 0.15 0.19 -0.55 8.60 8.51 1uzbB1 GLU 210 HA 0.04 0.13 0.35 -0.75 4.29 4.05 1uzbB1 GLU 210 HB2 0.02 -0.08 0.16 -0.04 2.09 2.15 1uzbB1 GLU 210 HB3 0.01 0.05 0.09 -0.04 1.99 2.10 1uzbB1 GLU 210 HG2 0.03 0.36 0.27 -0.04 2.34 2.96 1uzbB1 GLU 210 HG3 0.06 -0.04 0.23 -0.04 2.34 2.55 1uzbB1 ASP 211 H 0.04 0.01 -0.18 -0.55 8.40 7.73 1uzbB1 ASP 211 HA -0.03 0.14 0.53 -0.75 4.63 4.51 1uzbB1 ASP 211 HB2 -0.09 -0.10 0.06 -0.04 2.71 2.54 1uzbB1 ASP 211 HB3 -0.12 0.20 0.16 -0.04 2.70 2.91 1uzbB1 ALA 212 H 0.09 0.42 -0.50 -0.55 8.40 7.86 1uzbB1 ALA 212 HA 0.03 0.23 0.87 -0.75 4.34 4.71 1uzbB1 ALA 212 HB3 0.09 0.01 0.06 -0.04 1.41 1.53 1uzbB1 VAL 213 H 0.02 0.35 -0.12 -0.55 8.24 7.94 1uzbB1 VAL 213 HA 0.08 0.06 0.37 -0.75 4.13 3.88 1uzbB1 VAL 213 HB 0.08 0.03 -0.04 -0.04 2.12 2.15 1uzbB1 VAL 213 HG13 0.01 0.02 -0.04 -0.04 0.97 0.91 1uzbB1 VAL 213 HG23 0.02 0.04 -0.09 -0.04 0.95 0.88 1uzbB1 VAL 214 H -0.05 0.14 -0.23 -0.55 8.24 7.56 1uzbB1 VAL 214 HA -0.42 0.15 0.39 -0.75 4.13 3.49 1uzbB1 VAL 214 HB -0.09 -0.03 -0.00 -0.04 2.12 1.96 1uzbB1 VAL 214 HG13 -0.32 0.05 -0.16 -0.04 0.97 0.50 1uzbB1 VAL 214 HG23 -0.03 0.03 -0.18 -0.04 0.95 0.73 1uzbB1 VAL 215 H -0.10 0.14 -0.19 -0.55 8.24 7.54 1uzbB1 VAL 215 HA -0.14 0.09 0.40 -0.75 4.13 3.72 1uzbB1 VAL 215 HB -0.05 0.02 -0.03 -0.04 2.12 2.01 1uzbB1 VAL 215 HG13 -0.09 0.05 -0.14 -0.04 0.97 0.74 1uzbB1 VAL 215 HG23 -0.06 -0.01 -0.04 -0.04 0.95 0.80 1uzbB1 GLY 216 H -0.18 0.32 -0.36 -0.55 8.43 7.67 1uzbB1 GLY 216 HA2 -0.64 0.07 0.42 -0.51 4.01 3.35 1uzbB1 GLY 216 HA3 -0.41 0.06 0.27 -0.51 4.01 3.42 1uzbB1 ALA 217 H -0.22 0.43 -0.28 -0.55 8.40 7.78 1uzbB1 ALA 217 HA -0.84 0.02 0.42 -0.75 4.34 3.19 1uzbB1 ALA 217 HB3 -0.18 0.06 0.10 -0.04 1.41 1.34 1uzbB1 LYS 218 H -0.23 0.42 -0.20 -0.55 8.42 7.86 1uzbB1 LYS 218 HA -0.01 0.04 0.42 -0.75 4.32 4.01 1uzbB1 LYS 218 HB2 -0.10 0.09 0.12 -0.04 1.87 1.94 1uzbB1 LYS 218 HB3 -0.04 -0.05 0.01 -0.04 1.79 1.66 1uzbB1 LYS 218 HG2 0.01 -0.01 -0.01 -0.04 1.46 1.40 1uzbB1 LYS 218 HG3 -0.23 0.21 0.03 -0.04 1.46 1.43 1uzbB1 LYS 218 HD2 -0.04 -0.06 -0.06 -0.04 1.69 1.49 1uzbB1 LYS 218 HD3 -0.00 -0.04 -0.06 -0.04 1.68 1.54 1uzbB1 LYS 218 HE2 0.13 0.01 -0.04 -0.04 2.99 3.05 1uzbB1 LYS 218 HE3 -0.03 0.02 -0.09 -0.04 2.99 2.85 1uzbB1 VAL 219 H -0.14 0.46 -0.30 -0.55 8.24 7.71 1uzbB1 VAL 219 HA -0.22 0.01 0.44 -0.75 4.13 3.61 1uzbB1 VAL 219 HB 0.04 0.20 0.14 -0.04 2.12 2.45 1uzbB1 VAL 219 HG13 -0.53 -0.02 -0.13 -0.04 0.97 0.25 1uzbB1 VAL 219 HG23 -0.03 0.04 0.05 -0.04 0.95 0.97 1uzbB1 PHE 220 H -0.00 0.45 -0.25 -0.55 8.34 7.98 1uzbB1 PHE 220 HA -0.31 0.00 0.45 -0.75 4.62 4.00 1uzbB1 PHE 220 HB2 -0.41 0.13 0.15 -0.04 3.15 2.97 1uzbB1 PHE 220 HB3 -0.51 -0.02 -0.05 -0.04 3.06 2.44 1uzbB1 PHE 220 HD2 -0.26 0.09 -0.07 -0.04 7.28 7.00 1uzbB1 PHE 220 HE2 0.23 0.02 -0.41 -0.04 7.38 7.19 1uzbB1 PHE 220 HZ 0.09 0.06 -0.24 -0.04 7.32 7.18 1uzbB1 GLU 221 H 0.11 0.37 -0.36 -0.55 8.60 8.18 1uzbB1 GLU 221 HA 0.47 0.02 0.41 -0.75 4.29 4.44 1uzbB1 GLU 221 HB2 0.07 0.21 0.14 -0.04 2.09 2.47 1uzbB1 GLU 221 HB3 0.13 -0.05 0.01 -0.04 1.99 2.04 1uzbB1 GLU 221 HG2 0.11 -0.04 0.00 -0.04 2.34 2.38 1uzbB1 GLU 221 HG3 0.14 0.20 -0.00 -0.04 2.34 2.64 1uzbB1 ILE 222 H -0.08 0.36 -0.34 -0.55 8.25 7.64 1uzbB1 ILE 222 HA 0.04 0.03 0.41 -0.75 4.18 3.90 1uzbB1 ILE 222 HB -0.25 0.24 0.18 -0.04 1.89 2.01 1uzbB1 ILE 222 HG12 -0.01 -0.02 -0.11 -0.04 1.49 1.31 1uzbB1 ILE 222 HG13 -0.04 0.08 0.02 -0.04 1.21 1.24 1uzbB1 ILE 222 HG23 0.04 -0.03 -0.12 -0.04 0.93 0.78 1uzbB1 ILE 222 HD13 -0.06 -0.04 -0.04 -0.04 0.88 0.71 1uzbB1 PHE 223 H -0.27 0.39 -0.10 -0.55 8.34 7.81 1uzbB1 PHE 223 HA 0.16 0.03 0.37 -0.75 4.62 4.42 1uzbB1 PHE 223 HB2 -0.47 0.07 0.08 -0.04 3.15 2.80 1uzbB1 PHE 223 HB3 -0.22 -0.02 -0.04 -0.04 3.06 2.74 1uzbB1 PHE 223 HD2 -0.97 -0.02 -0.10 -0.04 7.28 6.15 1uzbB1 PHE 223 HE2 -0.40 -0.02 -0.11 -0.04 7.38 6.80 1uzbB1 PHE 223 HZ -0.23 -0.04 -0.06 -0.04 7.32 6.95 1uzbB1 HIS 224 H 0.11 0.58 -0.28 -0.55 8.41 8.27 1uzbB1 HIS 224 HA 0.09 0.04 0.39 -0.75 4.63 4.39 1uzbB1 HIS 224 HB2 -0.31 -0.02 0.05 -0.04 3.26 2.94 1uzbB1 HIS 224 HB3 0.15 0.10 0.14 -0.04 3.20 3.55 1uzbB1 HIS 224 HD2 0.29 -0.01 -0.09 -0.04 6.97 7.11 1uzbB1 HIS 224 HE1 0.21 0.09 0.05 -0.04 7.75 8.05 1uzbB1 GLU 225 H 0.15 0.52 -0.11 -0.55 8.60 8.61 1uzbB1 GLU 225 HA -0.06 0.03 0.42 -0.75 4.29 3.92 1uzbB1 GLU 225 HB2 0.10 -0.03 0.10 -0.04 2.09 2.22 1uzbB1 GLU 225 HB3 0.07 0.04 0.09 -0.04 1.99 2.15 1uzbB1 GLU 225 HG2 0.03 0.03 -0.18 -0.04 2.34 2.17 1uzbB1 GLU 225 HG3 0.03 -0.02 0.06 -0.04 2.34 2.36 1uzbB1 ALA 226 H 0.08 0.46 -0.31 -0.55 8.40 8.08 1uzbB1 ALA 226 HA -0.01 -0.03 0.35 -0.75 4.34 3.89 1uzbB1 ALA 226 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 1uzbB1 GLY 227 H -0.01 0.30 -0.36 -0.55 8.43 7.81 1uzbB1 GLY 227 HA2 -0.04 0.07 0.21 -0.51 4.01 3.74 1uzbB1 GLY 227 HA3 -0.04 0.11 0.71 -0.51 4.01 4.28 1uzbB1 PHE 228 H 0.05 0.22 0.04 -0.55 8.34 8.10 1uzbB1 PHE 228 HA -0.29 0.09 0.40 -0.75 4.62 4.07 1uzbB1 PHE 228 HB2 -0.19 -0.06 0.03 -0.04 3.15 2.89 1uzbB1 PHE 228 HB3 -0.46 0.01 -0.04 -0.04 3.06 2.52 1uzbB1 PHE 228 HD2 -0.51 0.08 0.02 -0.04 7.28 6.83 1uzbB1 PHE 228 HE2 -0.06 0.00 -0.08 -0.04 7.38 7.20 1uzbB1 PHE 228 HZ -0.12 -0.05 -0.14 -0.04 7.32 6.97 1uzbB1 PRO 229 HA 0.05 0.11 0.41 -0.51 4.44 4.50 1uzbB1 PRO 229 HB2 -0.14 -0.02 0.00 -0.04 2.28 2.09 1uzbB1 PRO 229 HB3 0.12 0.02 0.10 -0.04 2.02 2.21 1uzbB1 PRO 229 HG2 -0.12 0.03 0.07 -0.04 2.03 1.96 1uzbB1 PRO 229 HG3 0.29 0.07 0.10 -0.04 2.03 2.45 1uzbB1 PRO 229 HD2 -0.89 0.05 0.18 -0.04 3.68 2.97 1uzbB1 PRO 229 HD3 -0.31 0.18 0.24 -0.04 3.65 3.72 1uzbB1 PRO 230 HA -0.02 -0.10 0.27 -0.51 4.44 4.08 1uzbB1 PRO 230 HB2 -0.01 0.01 -0.15 -0.04 2.28 2.08 1uzbB1 PRO 230 HB3 -0.00 0.13 -0.08 -0.04 2.02 2.02 1uzbB1 PRO 230 HG2 0.04 0.01 0.07 -0.04 2.03 2.11 1uzbB1 PRO 230 HG3 0.04 0.04 0.06 -0.04 2.03 2.13 1uzbB1 PRO 230 HD2 0.07 0.08 0.21 -0.04 3.68 4.00 1uzbB1 PRO 230 HD3 0.06 0.17 0.16 -0.04 3.65 4.00 1uzbB1 GLY 231 H -0.08 -0.04 0.12 -0.55 8.43 7.87 1uzbB1 GLY 231 HA2 -0.08 -0.17 0.22 -0.51 4.01 3.47 1uzbB1 GLY 231 HA3 -0.06 0.32 0.49 -0.51 4.01 4.25 1uzbB1 VAL 232 H -0.23 0.54 -0.38 -0.55 8.24 7.62 1uzbB1 VAL 232 HA -0.41 0.07 0.42 -0.75 4.13 3.45 1uzbB1 VAL 232 HB -0.60 0.02 0.01 -0.04 2.12 1.51 1uzbB1 VAL 232 HG13 -1.32 0.02 -0.09 -0.04 0.97 -0.46 1uzbB1 VAL 232 HG23 -0.94 0.02 -0.08 -0.04 0.95 -0.10 1uzbB1 VAL 233 H -0.18 0.14 -0.09 -0.55 8.24 7.56 1uzbB1 VAL 233 HA -0.17 0.28 0.93 -0.75 4.13 4.41 1uzbB1 VAL 233 HB -0.25 -0.03 -0.07 -0.04 2.12 1.73 1uzbB1 VAL 233 HG13 -0.95 0.01 -0.19 -0.04 0.97 -0.20 1uzbB1 VAL 233 HG23 -0.39 -0.02 -0.07 -0.04 0.95 0.43 1uzbB1 ASN 234 H 0.13 0.45 0.29 -0.55 8.53 8.85 1uzbB1 ASN 234 HA 0.20 0.19 0.94 -0.75 4.76 5.33 1uzbB1 ASN 234 HB2 -0.02 -0.05 0.19 -0.04 2.88 2.97 1uzbB1 ASN 234 HB3 -0.03 0.01 0.19 -0.04 2.79 2.92 1uzbB1 ASN 234 HD21 -0.10 0.31 -0.20 -0.04 7.03 7.00 1uzbB1 ASN 234 HD22 -0.08 0.28 -0.15 -0.04 7.74 7.75 1uzbB1 PHE 235 H -0.07 0.65 0.39 -0.55 8.34 8.76 1uzbB1 PHE 235 HA -0.39 0.23 0.96 -0.75 4.62 4.66 1uzbB1 PHE 235 HB2 -2.63 0.03 -0.03 -0.04 3.15 0.48 1uzbB1 PHE 235 HB3 -0.59 -0.11 0.27 -0.04 3.06 2.58 1uzbB1 PHE 235 HD2 0.01 0.01 0.01 -0.04 7.28 7.26 1uzbB1 PHE 235 HE2 0.06 0.02 -0.08 -0.04 7.38 7.34 1uzbB1 PHE 235 HZ -0.03 0.17 0.03 -0.04 7.32 7.44 1uzbB1 LEU 236 H -0.23 0.76 0.25 -0.55 8.37 8.60 1uzbB1 LEU 236 HA -0.27 0.18 1.06 -0.75 4.35 4.56 1uzbB1 LEU 236 HB2 -0.08 0.05 0.00 -0.04 1.64 1.57 1uzbB1 LEU 236 HB3 -0.09 -0.09 -0.01 -0.04 1.64 1.42 1uzbB1 LEU 236 HG -0.07 -0.00 -0.36 -0.04 1.64 1.17 1uzbB1 LEU 236 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.71 1uzbB1 LEU 236 HD23 -0.07 0.04 -0.15 -0.04 0.89 0.67 1uzbB1 PRO 237 HA -0.20 0.09 0.53 -0.51 4.44 4.35 1uzbB1 PRO 237 HB2 -0.12 0.04 -0.01 -0.04 2.28 2.15 1uzbB1 PRO 237 HB3 -0.31 -0.00 0.07 -0.04 2.02 1.74 1uzbB1 PRO 237 HG2 -0.18 0.08 0.02 -0.04 2.03 1.90 1uzbB1 PRO 237 HG3 -0.25 0.10 -0.01 -0.04 2.03 1.83 1uzbB1 PRO 237 HD2 -0.60 0.17 0.01 -0.04 3.68 3.22 1uzbB1 PRO 237 HD3 -2.26 0.10 -0.11 -0.04 3.65 1.34 1uzbB1 GLY 238 H -0.04 0.30 0.25 -0.55 8.43 8.39 1uzbB1 GLY 238 HA2 -0.03 0.05 0.62 -0.51 4.01 4.14 1uzbB1 GLY 238 HA3 -0.02 0.05 0.31 -0.51 4.01 3.84 1uzbB1 VAL 239 H -0.00 0.20 0.18 -0.55 8.24 8.06 1uzbB1 VAL 239 HA 0.01 0.16 1.01 -0.75 4.13 4.55 1uzbB1 VAL 239 HB 0.00 -0.01 0.11 -0.04 2.12 2.19 1uzbB1 VAL 239 HG13 0.01 -0.00 0.00 -0.04 0.97 0.94 1uzbB1 VAL 239 HG23 0.01 0.02 -0.05 -0.04 0.95 0.88 1uzbB1 GLY 240 H 0.02 0.11 0.19 -0.55 8.43 8.21 1uzbB1 GLY 240 HA2 0.03 0.06 0.38 -0.51 4.01 3.96 1uzbB1 GLY 240 HA3 0.02 0.07 0.51 -0.51 4.01 4.10 1uzbB1 GLU 241 H 0.03 0.17 0.16 -0.55 8.60 8.41 1uzbB1 GLU 241 HA 0.05 0.17 0.58 -0.75 4.29 4.33 1uzbB1 GLU 241 HB2 0.03 0.05 0.05 -0.04 2.09 2.17 1uzbB1 GLU 241 HB3 0.03 0.03 0.10 -0.04 1.99 2.11 1uzbB1 GLU 241 HG2 0.04 0.03 -0.04 -0.04 2.34 2.33 1uzbB1 GLU 241 HG3 0.03 -0.08 0.01 -0.04 2.34 2.26 1uzbB1 GLU 242 H 0.02 0.17 -0.21 -0.55 8.60 8.04 1uzbB1 GLU 242 HA 0.04 0.07 0.30 -0.75 4.29 3.95 1uzbB1 GLU 242 HB2 0.01 0.02 0.12 -0.04 2.09 2.20 1uzbB1 GLU 242 HB3 0.00 0.05 0.12 -0.04 1.99 2.12 1uzbB1 GLU 242 HG2 -0.03 0.00 -0.31 -0.04 2.34 1.96 1uzbB1 GLU 242 HG3 -0.01 0.03 -0.01 -0.04 2.34 2.30 1uzbB1 VAL 243 H 0.02 0.19 -0.17 -0.55 8.24 7.74 1uzbB1 VAL 243 HA 0.06 0.02 0.23 -0.75 4.13 3.70 1uzbB1 VAL 243 HB 0.03 0.00 -0.04 -0.04 2.12 2.07 1uzbB1 VAL 243 HG13 0.03 0.04 -0.23 -0.04 0.97 0.77 1uzbB1 VAL 243 HG23 -0.01 0.00 -0.20 -0.04 0.95 0.70 1uzbB1 GLY 244 H 0.06 0.09 -0.26 -0.55 8.43 7.77 1uzbB1 GLY 244 HA2 0.07 0.09 0.30 -0.51 4.01 3.96 1uzbB1 GLY 244 HA3 0.07 0.03 0.22 -0.51 4.01 3.82 1uzbB1 ALA 245 H 0.06 0.69 -0.12 -0.55 8.40 8.49 1uzbB1 ALA 245 HA 0.03 0.04 0.39 -0.75 4.34 4.05 1uzbB1 ALA 245 HB3 0.05 -0.01 0.03 -0.04 1.41 1.43 1uzbB1 TYR 246 H 0.19 0.51 -0.14 -0.55 8.29 8.30 1uzbB1 TYR 246 HA 0.03 0.01 0.32 -0.75 4.56 4.17 1uzbB1 TYR 246 HB2 0.03 -0.02 0.10 -0.04 3.06 3.12 1uzbB1 TYR 246 HB3 0.04 0.10 0.10 -0.04 2.98 3.18 1uzbB1 TYR 246 HD2 0.05 0.01 -0.09 -0.04 7.15 7.08 1uzbB1 TYR 246 HE2 0.08 -0.01 -0.09 -0.04 6.85 6.79 1uzbB1 LEU 247 H 0.14 0.42 -0.22 -0.55 8.37 8.17 1uzbB1 LEU 247 HA -0.01 0.05 0.47 -0.75 4.35 4.11 1uzbB1 LEU 247 HB2 0.05 0.04 0.07 -0.04 1.64 1.76 1uzbB1 LEU 247 HB3 -0.00 0.02 -0.06 -0.04 1.64 1.55 1uzbB1 LEU 247 HG 0.19 -0.01 -0.03 -0.04 1.64 1.75 1uzbB1 LEU 247 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.80 1uzbB1 LEU 247 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 1uzbB1 VAL 248 H 0.03 0.55 -0.04 -0.55 8.24 8.23 1uzbB1 VAL 248 HA 0.01 0.05 0.32 -0.75 4.13 3.76 1uzbB1 VAL 248 HB 0.00 0.01 0.10 -0.04 2.12 2.19 1uzbB1 VAL 248 HG13 -0.02 -0.01 -0.17 -0.04 0.97 0.74 1uzbB1 VAL 248 HG23 0.01 -0.02 -0.01 -0.04 0.95 0.89 1uzbB1 GLU 249 H -0.01 0.37 -0.35 -0.55 8.60 8.06 1uzbB1 GLU 249 HA -0.03 0.22 0.59 -0.75 4.29 4.31 1uzbB1 GLU 249 HB2 -0.06 0.02 -0.01 -0.04 2.09 2.01 1uzbB1 GLU 249 HB3 -0.06 -0.07 0.08 -0.04 1.99 1.90 1uzbB1 GLU 249 HG2 -0.02 0.02 -0.09 -0.04 2.34 2.20 1uzbB1 GLU 249 HG3 -0.01 0.06 -0.00 -0.04 2.34 2.35 1uzbB1 HIS 250 H 0.02 0.25 -0.47 -0.55 8.41 7.66 1uzbB1 HIS 250 HA -0.20 0.01 0.43 -0.75 4.63 4.11 1uzbB1 HIS 250 HB2 -0.27 0.19 0.24 -0.04 3.26 3.38 1uzbB1 HIS 250 HB3 -0.06 -0.01 0.06 -0.04 3.20 3.15 1uzbB1 HIS 250 HD2 -0.84 -0.04 -0.08 -0.04 6.97 5.97 1uzbB1 HIS 250 HE1 -0.02 0.03 -0.03 -0.04 7.75 7.68 1uzbB1 PRO 251 HA -0.15 0.14 0.46 -0.51 4.44 4.38 1uzbB1 PRO 251 HB2 -0.25 0.02 -0.23 -0.04 2.28 1.78 1uzbB1 PRO 251 HB3 -0.21 0.05 -0.14 -0.04 2.02 1.67 1uzbB1 PRO 251 HG2 -0.16 -0.05 0.01 -0.04 2.03 1.79 1uzbB1 PRO 251 HG3 -0.25 0.08 0.04 -0.04 2.03 1.87 1uzbB1 PRO 251 HD2 -0.98 -0.01 0.22 -0.04 3.68 2.86 1uzbB1 PRO 251 HD3 -0.32 0.17 0.20 -0.04 3.65 3.66 1uzbB1 ARG 252 H 0.78 0.01 -0.34 -0.55 8.46 8.36 1uzbB1 ARG 252 HA 0.16 0.25 0.80 -0.75 4.34 4.80 1uzbB1 ARG 252 HB2 0.16 -0.07 -0.01 -0.04 1.90 1.94 1uzbB1 ARG 252 HB3 0.16 0.00 0.12 -0.04 1.80 2.03 1uzbB1 ARG 252 HG2 -0.19 0.09 -0.10 -0.04 1.67 1.43 1uzbB1 ARG 252 HG3 0.01 -0.04 -0.17 -0.04 1.67 1.42 1uzbB1 ARG 252 HD2 -0.18 -0.00 -0.02 -0.04 3.22 2.98 1uzbB1 ARG 252 HD3 -0.15 0.01 -0.04 -0.04 3.22 3.00 1uzbB1 ILE 253 H 0.34 0.42 -0.40 -0.55 8.25 8.06 1uzbB1 ILE 253 HA 0.15 0.08 0.75 -0.75 4.18 4.40 1uzbB1 ILE 253 HB 0.13 0.23 0.10 -0.04 1.89 2.31 1uzbB1 ILE 253 HG12 -0.08 -0.15 -0.12 -0.04 1.49 1.10 1uzbB1 ILE 253 HG13 -0.02 0.07 0.01 -0.04 1.21 1.22 1uzbB1 ILE 253 HG23 -0.03 -0.04 -0.19 -0.04 0.93 0.63 1uzbB1 ILE 253 HD13 -0.14 -0.02 -0.12 -0.04 0.88 0.56 1uzbB1 ARG 254 H -0.09 0.60 0.29 -0.55 8.46 8.71 1uzbB1 ARG 254 HA -0.42 0.14 0.54 -0.75 4.34 3.85 1uzbB1 ARG 254 HB2 -0.44 -0.02 -0.03 -0.04 1.90 1.37 1uzbB1 ARG 254 HB3 -0.25 -0.01 -0.16 -0.04 1.80 1.34 1uzbB1 ARG 254 HG2 -0.31 -0.02 -0.41 -0.04 1.67 0.89 1uzbB1 ARG 254 HG3 -0.22 -0.03 -0.25 -0.04 1.67 1.13 1uzbB1 ARG 254 HD2 -2.22 0.01 -0.02 -0.04 3.22 0.96 1uzbB1 ARG 254 HD3 -1.76 0.01 -0.07 -0.04 3.22 1.37 1uzbB1 PHE 255 H -0.45 0.15 0.17 -0.55 8.34 7.65 1uzbB1 PHE 255 HA -0.06 0.29 0.79 -0.75 4.62 4.88 1uzbB1 PHE 255 HB2 0.16 0.02 0.04 -0.04 3.15 3.34 1uzbB1 PHE 255 HB3 -0.02 0.08 -0.14 -0.04 3.06 2.94 1uzbB1 PHE 255 HD2 0.12 -0.00 -0.39 -0.04 7.28 6.97 1uzbB1 PHE 255 HE2 -0.11 0.08 -0.22 -0.04 7.38 7.09 1uzbB1 PHE 255 HZ -0.16 0.09 -0.09 -0.04 7.32 7.12 1uzbB1 ILE 256 H 0.11 0.64 0.37 -0.55 8.25 8.82 1uzbB1 ILE 256 HA 0.10 0.20 1.02 -0.75 4.18 4.75 1uzbB1 ILE 256 HB 0.06 -0.04 0.14 -0.04 1.89 2.01 1uzbB1 ILE 256 HG12 0.02 -0.06 -0.09 -0.04 1.49 1.32 1uzbB1 ILE 256 HG13 0.01 -0.02 -0.61 -0.04 1.21 0.55 1uzbB1 ILE 256 HG23 0.12 -0.03 -0.19 -0.04 0.93 0.79 1uzbB1 ILE 256 HD13 0.01 0.05 -0.06 -0.04 0.88 0.84 1uzbB1 ASN 257 H 0.28 0.74 0.36 -0.55 8.53 9.37 1uzbB1 ASN 257 HA 0.54 0.15 0.98 -0.75 4.76 5.67 1uzbB1 ASN 257 HB2 0.49 0.05 -0.01 -0.04 2.88 3.36 1uzbB1 ASN 257 HB3 0.23 -0.08 0.19 -0.04 2.79 3.09 1uzbB1 ASN 257 HD21 0.17 -0.09 -0.02 -0.04 7.03 7.05 1uzbB1 ASN 257 HD22 -0.01 0.32 0.08 -0.04 7.74 8.09 1uzbB1 PHE 258 H 0.37 0.81 0.35 -0.55 8.34 9.32 1uzbB1 PHE 258 HA 0.12 0.26 1.12 -0.75 4.62 5.37 1uzbB1 PHE 258 HB2 0.11 0.01 -0.15 -0.04 3.15 3.07 1uzbB1 PHE 258 HB3 0.12 0.07 0.03 -0.04 3.06 3.24 1uzbB1 PHE 258 HD2 0.09 -0.01 -0.13 -0.04 7.28 7.19 1uzbB1 PHE 258 HE2 0.06 0.01 -0.23 -0.04 7.38 7.18 1uzbB1 PHE 258 HZ 0.05 -0.17 -0.18 -0.04 7.32 6.97 1uzbB1 THR 259 H -0.56 0.60 0.25 -0.55 8.28 8.02 1uzbB1 THR 259 HA -0.37 0.21 0.98 -0.75 4.39 4.46 1uzbB1 THR 259 HB -0.13 -0.04 0.16 -0.04 4.32 4.27 1uzbB1 THR 259 HG23 -0.07 -0.03 -0.02 -0.04 1.22 1.06 1uzbB1 GLY 260 H -0.44 0.73 0.31 -0.55 8.43 8.48 1uzbB1 GLY 260 HA2 -0.25 -0.04 0.33 -0.51 4.01 3.53 1uzbB1 GLY 260 HA3 -0.27 0.04 0.46 -0.51 4.01 3.74 1uzbB1 SER 261 H 0.14 0.08 0.13 -0.55 8.46 8.26 1uzbB1 SER 261 HA 0.01 0.19 0.44 -0.75 4.49 4.38 1uzbB1 SER 261 HB2 0.07 0.03 0.14 -0.04 3.95 4.14 1uzbB1 SER 261 HB3 0.03 0.07 0.14 -0.04 3.93 4.12 1uzbB1 LEU 262 H 0.14 0.23 0.22 -0.55 8.37 8.41 1uzbB1 LEU 262 HA 0.16 0.13 0.45 -0.75 4.35 4.34 1uzbB1 LEU 262 HB2 0.26 0.30 0.22 -0.04 1.64 2.37 1uzbB1 LEU 262 HB3 0.16 -0.10 0.18 -0.04 1.64 1.84 1uzbB1 LEU 262 HG 0.04 -0.07 -0.19 -0.04 1.64 1.39 1uzbB1 LEU 262 HD13 0.04 0.06 0.07 -0.04 0.93 1.06 1uzbB1 LEU 262 HD23 -0.09 0.02 0.02 -0.04 0.89 0.80 1uzbB1 GLU 263 H 0.10 0.08 -0.09 -0.55 8.60 8.14 1uzbB1 GLU 263 HA 0.05 0.12 0.34 -0.75 4.29 4.05 1uzbB1 GLU 263 HB2 0.07 0.06 0.09 -0.04 2.09 2.27 1uzbB1 GLU 263 HB3 0.07 -0.11 0.05 -0.04 1.99 1.97 1uzbB1 GLU 263 HG2 0.04 0.01 -0.28 -0.04 2.34 2.06 1uzbB1 GLU 263 HG3 0.04 0.05 -0.00 -0.04 2.34 2.38 1uzbB1 VAL 264 H 0.09 0.04 -0.32 -0.55 8.24 7.51 1uzbB1 VAL 264 HA -0.04 0.08 0.42 -0.75 4.13 3.84 1uzbB1 VAL 264 HB 0.18 0.06 0.00 -0.04 2.12 2.32 1uzbB1 VAL 264 HG13 -0.25 0.01 -0.15 -0.04 0.97 0.54 1uzbB1 VAL 264 HG23 0.09 -0.02 -0.02 -0.04 0.95 0.97 1uzbB1 GLY 265 H 0.10 0.52 -0.19 -0.55 8.43 8.30 1uzbB1 GLY 265 HA2 -0.36 0.00 0.23 -0.51 4.01 3.37 1uzbB1 GLY 265 HA3 0.14 0.09 0.17 -0.51 4.01 3.90 1uzbB1 LEU 266 H 0.02 0.68 -0.21 -0.55 8.37 8.32 1uzbB1 LEU 266 HA 0.04 0.05 0.39 -0.75 4.35 4.08 1uzbB1 LEU 266 HB2 0.02 0.10 0.10 -0.04 1.64 1.82 1uzbB1 LEU 266 HB3 0.02 -0.03 -0.03 -0.04 1.64 1.57 1uzbB1 LEU 266 HG 0.02 0.09 0.02 -0.04 1.64 1.73 1uzbB1 LEU 266 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 1uzbB1 LEU 266 HD23 -0.00 -0.00 -0.02 -0.04 0.89 0.83 1uzbB1 LYS 267 H -0.02 0.32 -0.23 -0.55 8.42 7.94 1uzbB1 LYS 267 HA 0.00 0.03 0.40 -0.75 4.32 4.00 1uzbB1 LYS 267 HB2 -0.05 0.10 0.13 -0.04 1.87 2.01 1uzbB1 LYS 267 HB3 -0.02 -0.04 -0.00 -0.04 1.79 1.69 1uzbB1 LYS 267 HG2 -0.00 -0.02 0.01 -0.04 1.46 1.41 1uzbB1 LYS 267 HG3 -0.00 0.20 0.11 -0.04 1.46 1.72 1uzbB1 LYS 267 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.56 1uzbB1 LYS 267 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.59 1uzbB1 LYS 267 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 1uzbB1 LYS 267 HE3 0.01 0.02 -0.05 -0.04 2.99 2.93 1uzbB1 ILE 268 H -0.11 0.50 -0.19 -0.55 8.25 7.90 1uzbB1 ILE 268 HA -0.06 0.03 0.36 -0.75 4.18 3.77 1uzbB1 ILE 268 HB -0.21 0.07 0.04 -0.04 1.89 1.75 1uzbB1 ILE 268 HG12 -0.15 -0.01 -0.08 -0.04 1.49 1.21 1uzbB1 ILE 268 HG13 -0.29 0.09 -0.05 -0.04 1.21 0.92 1uzbB1 ILE 268 HG23 -0.02 0.01 -0.23 -0.04 0.93 0.65 1uzbB1 ILE 268 HD13 -0.78 -0.03 -0.17 -0.04 0.88 -0.15 1uzbB1 TYR 269 H 0.12 0.57 -0.16 -0.55 8.29 8.26 1uzbB1 TYR 269 HA -0.02 0.05 0.31 -0.75 4.56 4.15 1uzbB1 TYR 269 HB2 0.00 0.06 0.07 -0.04 3.06 3.15 1uzbB1 TYR 269 HB3 -0.00 0.04 0.02 -0.04 2.98 2.99 1uzbB1 TYR 269 HD2 0.00 -0.03 -0.10 -0.04 7.15 6.98 1uzbB1 TYR 269 HE2 -0.01 0.07 0.02 -0.04 6.85 6.89 1uzbB1 GLU 270 H 0.08 0.43 -0.28 -0.55 8.60 8.28 1uzbB1 GLU 270 HA 0.00 0.04 0.42 -0.75 4.29 3.99 1uzbB1 GLU 270 HB2 0.04 0.04 0.10 -0.04 2.09 2.23 1uzbB1 GLU 270 HB3 0.01 0.05 0.11 -0.04 1.99 2.13 1uzbB1 GLU 270 HG2 -0.00 0.01 -0.16 -0.04 2.34 2.15 1uzbB1 GLU 270 HG3 0.01 -0.02 0.02 -0.04 2.34 2.31 1uzbB1 ALA 271 H -0.01 0.54 -0.13 -0.55 8.40 8.25 1uzbB1 ALA 271 HA -0.03 -0.03 0.38 -0.75 4.34 3.91 1uzbB1 ALA 271 HB3 -0.02 -0.00 0.02 -0.04 1.41 1.36 1uzbB1 ALA 272 H -0.06 0.51 -0.23 -0.55 8.40 8.07 1uzbB1 ALA 272 HA -0.03 0.12 0.36 -0.75 4.34 4.04 1uzbB1 ALA 272 HB3 -0.11 -0.01 -0.05 -0.04 1.41 1.20 1uzbB1 GLY 273 H -0.11 0.28 -0.54 -0.55 8.43 7.51 1uzbB1 GLY 273 HA2 -0.06 0.05 0.48 -0.51 4.01 3.96 1uzbB1 GLY 273 HA3 -0.09 -0.06 0.30 -0.51 4.01 3.65 1uzbB1 ARG 274 H -0.05 0.44 -0.37 -0.55 8.46 7.93 1uzbB1 ARG 274 HA -0.04 0.03 0.74 -0.75 4.34 4.31 1uzbB1 ARG 274 HB2 -0.05 0.19 0.08 -0.04 1.90 2.08 1uzbB1 ARG 274 HB3 -0.05 -0.07 -0.07 -0.04 1.80 1.56 1uzbB1 ARG 274 HG2 -0.03 -0.05 -0.06 -0.04 1.67 1.49 1uzbB1 ARG 274 HG3 -0.03 0.18 -0.02 -0.04 1.67 1.76 1uzbB1 ARG 274 HD2 -0.04 -0.02 -0.04 -0.04 3.22 3.08 1uzbB1 ARG 274 HD3 -0.02 -0.08 -0.05 -0.04 3.22 3.03 1uzbB1 LEU 275 H -0.08 0.07 0.12 -0.55 8.37 7.93 1uzbB1 LEU 275 HA -0.16 0.21 0.79 -0.75 4.35 4.43 1uzbB1 LEU 275 HB2 -0.19 0.01 0.09 -0.04 1.64 1.51 1uzbB1 LEU 275 HB3 -0.13 -0.11 0.20 -0.04 1.64 1.56 1uzbB1 LEU 275 HG -0.20 0.12 -0.09 -0.04 1.64 1.43 1uzbB1 LEU 275 HD13 -0.34 0.06 -0.03 -0.04 0.93 0.58 1uzbB1 LEU 275 HD23 -0.17 -0.03 0.01 -0.04 0.89 0.66 1uzbB1 ALA 276 H -0.14 0.28 0.10 -0.55 8.40 8.10 1uzbB1 ALA 276 HA -0.11 0.03 0.45 -0.75 4.34 3.96 1uzbB1 ALA 276 HB3 -0.14 0.02 0.05 -0.04 1.41 1.31 1uzbB1 PRO 277 HA -0.12 0.00 0.47 -0.51 4.44 4.28 1uzbB1 PRO 277 HB2 -0.11 -0.00 0.14 -0.04 2.28 2.27 1uzbB1 PRO 277 HB3 -0.09 -0.01 0.10 -0.04 2.02 1.98 1uzbB1 PRO 277 HG2 -0.08 -0.01 0.11 -0.04 2.03 2.00 1uzbB1 PRO 277 HG3 -0.08 0.05 0.12 -0.04 2.03 2.08 1uzbB1 PRO 277 HD2 -0.12 0.10 0.21 -0.04 3.68 3.83 1uzbB1 PRO 277 HD3 -0.10 0.14 0.25 -0.04 3.65 3.90 1uzbB1 GLY 278 H -0.14 0.12 0.21 -0.55 8.43 8.08 1uzbB1 GLY 278 HA2 -0.15 -0.04 0.33 -0.51 4.01 3.65 1uzbB1 GLY 278 HA3 -0.16 0.06 0.55 -0.51 4.01 3.95 1uzbB1 GLN 279 H -0.24 0.53 -0.22 -0.55 8.47 7.99 1uzbB1 GLN 279 HA -0.57 0.12 0.48 -0.75 4.36 3.63 1uzbB1 GLN 279 HB2 -0.29 -0.04 0.13 -0.04 2.15 1.91 1uzbB1 GLN 279 HB3 -0.31 -0.06 0.14 -0.04 2.02 1.74 1uzbB1 GLN 279 HG2 -0.64 -0.14 0.07 -0.04 2.40 1.66 1uzbB1 GLN 279 HG3 -0.74 0.27 0.20 -0.04 2.39 2.08 1uzbB1 GLN 279 HE21 -0.04 0.16 0.15 -0.04 6.97 7.21 1uzbB1 GLN 279 HE22 -0.11 0.44 0.21 -0.04 7.69 8.19 1uzbB1 THR 280 H -1.06 0.22 0.17 -0.55 8.28 7.05 1uzbB1 THR 280 HA -0.26 0.19 0.97 -0.75 4.39 4.54 1uzbB1 THR 280 HB -0.09 -0.05 0.22 -0.04 4.32 4.36 1uzbB1 THR 280 HG23 -0.21 0.04 -0.11 -0.04 1.22 0.90 1uzbB1 TRP 281 H -0.50 0.29 -0.02 -0.55 7.97 7.20 1uzbB1 TRP 281 HA -0.01 0.05 0.45 -0.75 4.62 4.36 1uzbB1 TRP 281 HB2 0.08 0.04 0.05 -0.04 3.23 3.36 1uzbB1 TRP 281 HB3 0.04 0.11 -0.04 -0.04 3.23 3.30 1uzbB1 TRP 281 HD1 0.01 -0.04 -0.62 -0.04 7.22 6.53 1uzbB1 TRP 281 HE1 0.04 0.40 -0.05 -0.04 10.20 10.55 1uzbB1 TRP 281 HE3 0.01 0.05 -0.13 -0.04 7.59 7.48 1uzbB1 TRP 281 HZ2 0.19 -0.13 -0.80 -0.04 7.44 6.66 1uzbB1 TRP 281 HZ3 -0.21 -0.03 -0.02 -0.04 7.13 6.82 1uzbB1 TRP 281 HH2 -0.25 -0.03 -0.05 -0.04 7.19 6.82 1uzbB1 PHE 282 H 0.49 0.16 0.11 -0.55 8.34 8.55 1uzbB1 PHE 282 HA 0.11 0.13 0.76 -0.75 4.62 4.86 1uzbB1 PHE 282 HB2 0.07 -0.04 0.17 -0.04 3.15 3.31 1uzbB1 PHE 282 HB3 0.03 0.10 0.04 -0.04 3.06 3.19 1uzbB1 PHE 282 HD2 0.04 0.04 0.02 -0.04 7.28 7.33 1uzbB1 PHE 282 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.30 1uzbB1 PHE 282 HZ 0.00 -0.05 -0.02 -0.04 7.32 7.20 1uzbB1 LYS 283 H 0.19 0.22 0.12 -0.55 8.42 8.40 1uzbB1 LYS 283 HA 0.17 0.19 0.47 -0.75 4.32 4.39 1uzbB1 LYS 283 HB2 0.07 0.22 0.16 -0.04 1.87 2.27 1uzbB1 LYS 283 HB3 0.07 -0.08 -0.10 -0.04 1.79 1.64 1uzbB1 LYS 283 HG2 0.39 0.16 -0.01 -0.04 1.46 1.96 1uzbB1 LYS 283 HG3 0.31 -0.07 0.06 -0.04 1.46 1.71 1uzbB1 LYS 283 HD2 0.05 0.06 0.07 -0.04 1.69 1.84 1uzbB1 LYS 283 HD3 0.09 -0.11 -0.04 -0.04 1.68 1.57 1uzbB1 LYS 283 HE2 0.23 0.12 0.03 -0.04 2.99 3.33 1uzbB1 LYS 283 HE3 0.11 -0.15 0.03 -0.04 2.99 2.94 1uzbB1 ARG 284 H -0.01 0.39 0.35 -0.55 8.46 8.64 1uzbB1 ARG 284 HA -0.16 0.13 0.88 -0.75 4.34 4.43 1uzbB1 ARG 284 HB2 -0.14 -0.04 0.19 -0.04 1.90 1.88 1uzbB1 ARG 284 HB3 -0.49 -0.03 0.03 -0.04 1.80 1.27 1uzbB1 ARG 284 HG2 -0.07 -0.01 -0.01 -0.04 1.67 1.54 1uzbB1 ARG 284 HG3 -0.04 0.09 0.01 -0.04 1.67 1.68 1uzbB1 ARG 284 HD2 -0.06 0.03 0.04 -0.04 3.22 3.19 1uzbB1 ARG 284 HD3 -0.06 -0.02 0.06 -0.04 3.22 3.15 1uzbB1 ALA 285 H -0.27 0.26 0.12 -0.55 8.40 7.96 1uzbB1 ALA 285 HA -0.21 0.21 1.00 -0.75 4.34 4.59 1uzbB1 ALA 285 HB3 -0.02 -0.00 -0.08 -0.04 1.41 1.27 1uzbB1 TYR 286 H 0.02 0.79 0.36 -0.55 8.29 8.90 1uzbB1 TYR 286 HA 0.10 0.12 0.92 -0.75 4.56 4.95 1uzbB1 TYR 286 HB2 0.12 -0.09 0.15 -0.04 3.06 3.19 1uzbB1 TYR 286 HB3 0.02 -0.02 0.06 -0.04 2.98 2.99 1uzbB1 TYR 286 HD2 -0.01 0.00 -0.03 -0.04 7.15 7.07 1uzbB1 TYR 286 HE2 -0.14 -0.03 -0.13 -0.04 6.85 6.51 1uzbB1 VAL 287 H 0.18 0.17 0.19 -0.55 8.24 8.23 1uzbB1 VAL 287 HA 0.33 0.43 1.10 -0.75 4.13 5.23 1uzbB1 VAL 287 HB 0.40 -0.04 -0.13 -0.04 2.12 2.32 1uzbB1 VAL 287 HG13 0.26 0.03 -0.34 -0.04 0.97 0.87 1uzbB1 VAL 287 HG23 0.03 -0.01 -0.08 -0.04 0.95 0.85 1uzbB1 GLU 288 H 0.10 0.59 0.32 -0.55 8.60 9.06 1uzbB1 GLU 288 HA 0.05 0.18 0.98 -0.75 4.29 4.74 1uzbB1 GLU 288 HB2 0.07 0.07 0.10 -0.04 2.09 2.28 1uzbB1 GLU 288 HB3 0.00 -0.10 0.31 -0.04 1.99 2.17 1uzbB1 GLU 288 HG2 -0.03 0.08 0.16 -0.04 2.34 2.52 1uzbB1 GLU 288 HG3 0.05 0.04 0.04 -0.04 2.34 2.43 1uzbB1 THR 289 H 0.08 0.67 -0.06 -0.55 8.28 8.43 1uzbB1 THR 289 HA 0.09 0.41 1.06 -0.75 4.39 5.20 1uzbB1 THR 289 HB 0.19 -0.14 0.13 -0.04 4.32 4.46 1uzbB1 THR 289 HG23 0.27 -0.01 -0.36 -0.04 1.22 1.07 1uzbB1 GLY 290 H 0.04 0.03 -0.02 -0.55 8.43 7.93 1uzbB1 GLY 290 HA2 0.04 -0.07 0.40 -0.51 4.01 3.87 1uzbB1 GLY 290 HA3 -0.03 0.07 0.56 -0.51 4.01 4.09 1uzbB1 GLY 291 H -0.25 0.26 0.33 -0.55 8.43 8.22 1uzbB1 GLY 291 HA2 -0.91 0.08 0.48 -0.51 4.01 3.15 1uzbB1 GLY 291 HA3 -0.19 -0.04 0.44 -0.51 4.01 3.71 1uzbB1 LYS 292 H -0.08 0.16 -0.04 -0.55 8.42 7.90 1uzbB1 LYS 292 HA -0.09 0.13 0.64 -0.75 4.32 4.25 1uzbB1 LYS 292 HB2 0.06 -0.01 -0.19 -0.04 1.87 1.69 1uzbB1 LYS 292 HB3 0.14 0.01 0.14 -0.04 1.79 2.03 1uzbB1 LYS 292 HG2 0.07 0.15 -0.33 -0.04 1.46 1.31 1uzbB1 LYS 292 HG3 0.03 0.00 -0.21 -0.04 1.46 1.25 1uzbB1 LYS 292 HD2 -0.04 -0.08 -0.08 -0.04 1.69 1.45 1uzbB1 LYS 292 HD3 -0.00 -0.07 -0.73 -0.04 1.68 0.83 1uzbB1 LYS 292 HE2 0.00 -0.15 -0.58 -0.04 2.99 2.22 1uzbB1 LYS 292 HE3 -0.00 -0.02 -0.21 -0.04 2.99 2.71 1uzbB1 ASN 293 H -0.03 0.23 -0.06 -0.55 8.53 8.13 1uzbB1 ASN 293 HA 0.07 0.15 0.63 -0.75 4.76 4.86 1uzbB1 ASN 293 HB2 0.01 0.18 -0.19 -0.04 2.88 2.84 1uzbB1 ASN 293 HB3 0.03 0.10 -0.19 -0.04 2.79 2.69 1uzbB1 ASN 293 HD21 0.01 0.75 0.23 -0.04 7.03 7.97 1uzbB1 ASN 293 HD22 -0.01 0.26 -0.67 -0.04 7.74 7.27 1uzbB1 ALA 294 H 0.18 0.25 0.31 -0.55 8.40 8.58 1uzbB1 ALA 294 HA 0.08 0.33 1.14 -0.75 4.34 5.13 1uzbB1 ALA 294 HB3 0.12 0.01 -0.02 -0.04 1.41 1.47 1uzbB1 ILE 295 H 0.10 0.58 0.35 -0.55 8.25 8.72 1uzbB1 ILE 295 HA 0.22 0.16 0.99 -0.75 4.18 4.79 1uzbB1 ILE 295 HB 0.11 0.01 0.13 -0.04 1.89 2.10 1uzbB1 ILE 295 HG12 0.16 0.01 -0.07 -0.04 1.49 1.54 1uzbB1 ILE 295 HG13 0.09 0.03 -0.29 -0.04 1.21 1.00 1uzbB1 ILE 295 HG23 0.29 -0.04 -0.31 -0.04 0.93 0.84 1uzbB1 ILE 295 HD13 0.12 -0.03 -0.13 -0.04 0.88 0.80 1uzbB1 ILE 296 H 0.27 0.78 0.35 -0.55 8.25 9.10 1uzbB1 ILE 296 HA 0.08 0.33 0.98 -0.75 4.18 4.81 1uzbB1 ILE 296 HB 0.18 -0.01 0.19 -0.04 1.89 2.21 1uzbB1 ILE 296 HG12 -0.15 0.02 -0.06 -0.04 1.49 1.26 1uzbB1 ILE 296 HG13 0.04 0.05 -0.13 -0.04 1.21 1.12 1uzbB1 ILE 296 HG23 -0.03 -0.04 -0.19 -0.04 0.93 0.62 1uzbB1 ILE 296 HD13 -0.53 0.00 -0.18 -0.04 0.88 0.13 1uzbB1 VAL 297 H 0.12 0.64 0.35 -0.55 8.24 8.80 1uzbB1 VAL 297 HA 0.27 0.21 1.05 -0.75 4.13 4.90 1uzbB1 VAL 297 HB 0.10 -0.02 0.06 -0.04 2.12 2.22 1uzbB1 VAL 297 HG13 0.24 0.01 -0.06 -0.04 0.97 1.12 1uzbB1 VAL 297 HG23 0.12 0.02 -0.28 -0.04 0.95 0.77 1uzbB1 ASP 298 H 0.25 0.42 0.28 -0.55 8.40 8.80 1uzbB1 ASP 298 HA 0.21 0.15 1.02 -0.75 4.63 5.26 1uzbB1 ASP 298 HB2 0.25 -0.09 0.21 -0.04 2.71 3.04 1uzbB1 ASP 298 HB3 0.37 0.09 0.03 -0.04 2.70 3.15 1uzbB1 GLU 299 H 0.20 0.12 0.14 -0.55 8.60 8.50 1uzbB1 GLU 299 HA 0.43 0.21 0.25 -0.75 4.29 4.43 1uzbB1 GLU 299 HB2 0.19 0.16 0.08 -0.04 2.09 2.48 1uzbB1 GLU 299 HB3 0.17 -0.15 0.03 -0.04 1.99 2.00 1uzbB1 GLU 299 HG2 0.15 -0.14 0.12 -0.04 2.34 2.43 1uzbB1 GLU 299 HG3 0.10 0.06 -0.13 -0.04 2.34 2.33 1uzbB1 THR 300 H 0.11 -0.07 -0.38 -0.55 8.28 7.39 1uzbB1 THR 300 HA -0.05 0.31 0.72 -0.75 4.39 4.62 1uzbB1 THR 300 HB -0.05 0.11 0.13 -0.04 4.32 4.46 1uzbB1 THR 300 HG23 -0.03 0.01 -0.00 -0.04 1.22 1.15 1uzbB1 ALA 301 H 0.08 0.33 -0.22 -0.55 8.40 8.03 1uzbB1 ALA 301 HA 0.00 0.01 0.30 -0.75 4.34 3.90 1uzbB1 ALA 301 HB3 0.22 0.07 -0.21 -0.04 1.41 1.44 1uzbB1 ASP 302 H 0.05 0.15 0.02 -0.55 8.40 8.07 1uzbB1 ASP 302 HA -0.16 0.18 0.62 -0.75 4.63 4.51 1uzbB1 ASP 302 HB2 -0.01 0.13 0.11 -0.04 2.71 2.90 1uzbB1 ASP 302 HB3 0.07 -0.01 0.21 -0.04 2.70 2.93 1uzbB1 PHE 303 H -0.33 0.36 0.05 -0.55 8.34 7.86 1uzbB1 PHE 303 HA -0.04 0.04 0.24 -0.75 4.62 4.11 1uzbB1 PHE 303 HB2 -0.01 0.01 0.03 -0.04 3.15 3.14 1uzbB1 PHE 303 HB3 -0.02 0.07 -0.13 -0.04 3.06 2.93 1uzbB1 PHE 303 HD2 0.01 -0.05 -0.11 -0.04 7.28 7.09 1uzbB1 PHE 303 HE2 0.03 0.04 -0.03 -0.04 7.38 7.39 1uzbB1 PHE 303 HZ 0.04 0.01 0.01 -0.04 7.32 7.33 1uzbB1 ASP 304 H 0.08 0.10 -0.20 -0.55 8.40 7.83 1uzbB1 ASP 304 HA 0.03 0.15 0.48 -0.75 4.63 4.54 1uzbB1 ASP 304 HB2 0.03 -0.04 0.04 -0.04 2.71 2.70 1uzbB1 ASP 304 HB3 0.02 0.08 -0.02 -0.04 2.70 2.74 1uzbB1 LEU 305 H 0.03 0.06 -0.22 -0.55 8.37 7.69 1uzbB1 LEU 305 HA 0.03 0.10 0.38 -0.75 4.35 4.10 1uzbB1 LEU 305 HB2 0.07 -0.02 0.09 -0.04 1.64 1.74 1uzbB1 LEU 305 HB3 0.12 0.04 0.10 -0.04 1.64 1.86 1uzbB1 LEU 305 HG 0.33 -0.02 -0.17 -0.04 1.64 1.74 1uzbB1 LEU 305 HD13 0.09 0.01 0.02 -0.04 0.93 1.02 1uzbB1 LEU 305 HD23 0.18 0.03 0.02 -0.04 0.89 1.08 1uzbB1 ALA 306 H -0.10 0.48 -0.21 -0.55 8.40 8.03 1uzbB1 ALA 306 HA -1.87 0.02 0.29 -0.75 4.34 2.03 1uzbB1 ALA 306 HB3 -0.23 0.01 -0.02 -0.04 1.41 1.13 1uzbB1 ALA 307 H -0.10 0.54 -0.19 -0.55 8.40 8.10 1uzbB1 ALA 307 HA -0.09 0.01 0.30 -0.75 4.34 3.81 1uzbB1 ALA 307 HB3 -0.04 0.04 -0.04 -0.04 1.41 1.33 1uzbB1 GLU 308 H -0.06 0.44 -0.31 -0.55 8.60 8.13 1uzbB1 GLU 308 HA -0.00 0.06 0.39 -0.75 4.29 3.98 1uzbB1 GLU 308 HB2 -0.00 0.09 0.11 -0.04 2.09 2.24 1uzbB1 GLU 308 HB3 0.01 0.07 0.11 -0.04 1.99 2.13 1uzbB1 GLU 308 HG2 0.01 0.01 0.01 -0.04 2.34 2.33 1uzbB1 GLU 308 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.28 1uzbB1 GLY 309 H -0.07 0.56 -0.15 -0.55 8.43 8.22 1uzbB1 GLY 309 HA2 0.07 -0.02 0.32 -0.51 4.01 3.87 1uzbB1 GLY 309 HA3 0.17 0.04 0.15 -0.51 4.01 3.86 1uzbB1 VAL 310 H -0.10 0.59 -0.29 -0.55 8.24 7.89 1uzbB1 VAL 310 HA -0.01 0.00 0.39 -0.75 4.13 3.77 1uzbB1 VAL 310 HB -0.06 0.10 0.08 -0.04 2.12 2.19 1uzbB1 VAL 310 HG13 -0.05 -0.00 -0.22 -0.04 0.97 0.66 1uzbB1 VAL 310 HG23 -0.07 0.03 -0.10 -0.04 0.95 0.77 1uzbB1 VAL 311 H -0.01 0.57 -0.12 -0.55 8.24 8.14 1uzbB1 VAL 311 HA 0.07 0.05 0.36 -0.75 4.13 3.86 1uzbB1 VAL 311 HB 0.05 0.08 0.12 -0.04 2.12 2.33 1uzbB1 VAL 311 HG13 0.17 -0.00 -0.18 -0.04 0.97 0.91 1uzbB1 VAL 311 HG23 0.08 0.02 0.03 -0.04 0.95 1.04 1uzbB1 VAL 312 H 0.02 0.52 -0.19 -0.55 8.24 8.04 1uzbB1 VAL 312 HA 0.04 0.05 0.39 -0.75 4.13 3.86 1uzbB1 VAL 312 HB 0.02 0.04 0.12 -0.04 2.12 2.26 1uzbB1 VAL 312 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.74 1uzbB1 VAL 312 HG23 0.03 0.03 -0.00 -0.04 0.95 0.97 1uzbB1 SER 313 H -0.02 0.56 -0.17 -0.55 8.46 8.28 1uzbB1 SER 313 HA -0.04 -0.03 0.39 -0.75 4.49 4.06 1uzbB1 SER 313 HB2 -0.03 0.17 0.15 -0.04 3.95 4.20 1uzbB1 SER 313 HB3 -0.04 -0.06 0.04 -0.04 3.93 3.82 1uzbB1 ALA 314 H -0.18 0.55 -0.16 -0.55 8.40 8.07 1uzbB1 ALA 314 HA -0.24 0.19 0.66 -0.75 4.34 4.19 1uzbB1 ALA 314 HB3 -0.64 -0.03 0.02 -0.04 1.41 0.71 1uzbB1 TYR 315 H -0.13 0.45 -0.12 -0.55 8.29 7.94 1uzbB1 TYR 315 HA -0.02 0.21 0.84 -0.75 4.56 4.84 1uzbB1 TYR 315 HB2 -0.01 0.10 0.03 -0.04 3.06 3.15 1uzbB1 TYR 315 HB3 -0.01 -0.04 0.07 -0.04 2.98 2.96 1uzbB1 TYR 315 HD2 -0.01 0.02 -0.06 -0.04 7.15 7.05 1uzbB1 TYR 315 HE2 -0.01 0.03 -0.20 -0.04 6.85 6.63 1uzbB1 GLY 316 H 0.03 0.37 -0.15 -0.55 8.43 8.13 1uzbB1 GLY 316 HA2 0.09 0.03 0.50 -0.51 4.01 4.13 1uzbB1 GLY 316 HA3 0.07 0.05 0.29 -0.51 4.01 3.91 1uzbB1 PHE 317 H 0.18 0.13 0.24 -0.55 8.34 8.34 1uzbB1 PHE 317 HA 0.02 0.02 0.39 -0.75 4.62 4.29 1uzbB1 PHE 317 HB2 -0.06 -0.10 0.00 -0.04 3.15 2.95 1uzbB1 PHE 317 HB3 -0.08 0.06 -0.04 -0.04 3.06 2.96 1uzbB1 PHE 317 HD2 -0.10 -0.01 0.05 -0.04 7.28 7.18 1uzbB1 PHE 317 HE2 0.06 0.03 -0.10 -0.04 7.38 7.34 1uzbB1 PHE 317 HZ 0.25 0.06 0.06 -0.04 7.32 7.65 1uzbB1 GLN 318 H 0.07 0.32 -0.17 -0.55 8.47 8.15 1uzbB1 GLN 318 HA 0.05 0.11 0.23 -0.75 4.36 4.00 1uzbB1 GLN 318 HB2 -0.27 0.09 -0.23 -0.04 2.15 1.70 1uzbB1 GLN 318 HB3 -0.04 -0.03 0.11 -0.04 2.02 2.01 1uzbB1 GLN 318 HG2 0.00 0.11 -0.39 -0.04 2.40 2.08 1uzbB1 GLN 318 HG3 0.03 0.02 0.01 -0.04 2.39 2.41 1uzbB1 GLN 318 HE21 0.19 0.15 -0.01 -0.04 6.97 7.26 1uzbB1 GLN 318 HE22 -0.10 0.42 -0.22 -0.04 7.69 7.75 1uzbB1 GLY 319 H -0.02 0.40 -0.87 -0.55 8.43 7.40 1uzbB1 GLY 319 HA2 -0.10 0.03 0.11 -0.51 4.01 3.54 1uzbB1 GLY 319 HA3 -0.07 0.21 0.19 -0.51 4.01 3.82 1uzbB1 GLN 320 H -0.28 0.60 -0.48 -0.55 8.47 7.76 1uzbB1 GLN 320 HA -0.94 0.09 0.47 -0.75 4.36 3.23 1uzbB1 GLN 320 HB2 -0.64 0.11 0.20 -0.04 2.15 1.78 1uzbB1 GLN 320 HB3 -0.00 -0.20 0.19 -0.04 2.02 1.97 1uzbB1 GLN 320 HG2 0.12 0.23 0.05 -0.04 2.40 2.76 1uzbB1 GLN 320 HG3 -0.23 0.17 -0.14 -0.04 2.39 2.15 1uzbB1 GLN 320 HE21 -0.53 0.07 0.07 -0.04 6.97 6.54 1uzbB1 GLN 320 HE22 -1.63 0.22 0.02 -0.04 7.69 6.26 1uzbB1 LYS 321 H -0.58 0.60 -0.38 -0.55 8.42 7.50 1uzbB1 LYS 321 HA -0.01 0.11 0.81 -0.75 4.32 4.48 1uzbB1 LYS 321 HB2 -0.05 0.06 -0.09 -0.04 1.87 1.76 1uzbB1 LYS 321 HB3 0.09 -0.19 -0.02 -0.04 1.79 1.63 1uzbB1 LYS 321 HG2 0.27 0.07 -0.17 -0.04 1.46 1.59 1uzbB1 LYS 321 HG3 0.07 0.11 -0.53 -0.04 1.46 1.06 1uzbB1 LYS 321 HD2 0.06 0.08 -0.18 -0.04 1.69 1.61 1uzbB1 LYS 321 HD3 0.19 -0.14 -0.11 -0.04 1.68 1.58 1uzbB1 LYS 321 HE2 0.18 0.01 -0.14 -0.04 2.99 3.00 1uzbB1 LYS 321 HE3 0.17 0.10 -0.45 -0.04 2.99 2.77 1uzbB1 CYS 322 H 0.18 0.16 0.11 -0.55 8.50 8.41 1uzbB1 CYS 322 HA 0.25 0.11 0.48 -0.75 4.58 4.67 1uzbB1 CYS 322 HB2 0.21 0.00 0.04 -0.04 2.97 3.17 1uzbB1 CYS 322 HB3 0.13 -0.03 0.09 -0.04 2.97 3.12 1uzbB1 SER 323 H 0.06 -0.05 -0.38 -0.55 8.46 7.54 1uzbB1 SER 323 HA 0.09 0.14 0.61 -0.75 4.49 4.57 1uzbB1 SER 323 HB2 0.05 0.28 0.08 -0.04 3.95 4.32 1uzbB1 SER 323 HB3 0.17 -0.04 -0.03 -0.04 3.93 3.99 1uzbB1 ALA 324 H -0.04 0.21 -0.43 -0.55 8.40 7.60 1uzbB1 ALA 324 HA -0.06 0.06 0.33 -0.75 4.34 3.92 1uzbB1 ALA 324 HB3 -0.12 0.03 0.03 -0.04 1.41 1.31 1uzbB1 ALA 325 H -0.07 0.26 -0.17 -0.55 8.40 7.87 1uzbB1 ALA 325 HA -0.01 0.15 0.43 -0.75 4.34 4.15 1uzbB1 ALA 325 HB3 -0.03 -0.03 -0.06 -0.04 1.41 1.24 1uzbB1 SER 326 H -0.02 0.53 0.35 -0.55 8.46 8.78 1uzbB1 SER 326 HA -0.06 0.24 0.97 -0.75 4.49 4.89 1uzbB1 SER 326 HB2 -0.03 0.03 0.24 -0.04 3.95 4.15 1uzbB1 SER 326 HB3 -0.05 -0.02 0.07 -0.04 3.93 3.90 1uzbB1 ARG 327 H 0.01 0.36 0.25 -0.55 8.46 8.53 1uzbB1 ARG 327 HA 0.03 0.33 1.00 -0.75 4.34 4.95 1uzbB1 ARG 327 HB2 0.04 -0.08 -0.06 -0.04 1.90 1.76 1uzbB1 ARG 327 HB3 0.03 -0.04 -0.06 -0.04 1.80 1.69 1uzbB1 ARG 327 HG2 0.02 0.07 -0.07 -0.04 1.67 1.65 1uzbB1 ARG 327 HG3 0.02 -0.10 -0.40 -0.04 1.67 1.15 1uzbB1 ARG 327 HD2 0.02 -0.07 -0.06 -0.04 3.22 3.07 1uzbB1 ARG 327 HD3 0.03 0.31 -0.04 -0.04 3.22 3.48 1uzbB1 LEU 328 H 0.03 0.76 0.30 -0.55 8.37 8.92 1uzbB1 LEU 328 HA 0.04 0.18 0.95 -0.75 4.35 4.77 1uzbB1 LEU 328 HB2 0.00 0.04 -0.13 -0.04 1.64 1.51 1uzbB1 LEU 328 HB3 0.02 -0.03 0.08 -0.04 1.64 1.67 1uzbB1 LEU 328 HG 0.00 -0.07 -0.29 -0.04 1.64 1.24 1uzbB1 LEU 328 HD13 0.02 0.05 -0.09 -0.04 0.93 0.87 1uzbB1 LEU 328 HD23 -0.05 -0.01 -0.16 -0.04 0.89 0.63 1uzbB1 ILE 329 H 0.05 0.64 0.23 -0.55 8.25 8.63 1uzbB1 ILE 329 HA 0.03 0.28 0.96 -0.75 4.18 4.70 1uzbB1 ILE 329 HB -0.02 -0.07 0.12 -0.04 1.89 1.87 1uzbB1 ILE 329 HG12 -0.01 0.06 -0.14 -0.04 1.49 1.36 1uzbB1 ILE 329 HG13 0.01 -0.06 -0.27 -0.04 1.21 0.85 1uzbB1 ILE 329 HG23 -0.07 -0.01 -0.13 -0.04 0.93 0.68 1uzbB1 ILE 329 HD13 -0.08 0.04 -0.15 -0.04 0.88 0.64 1uzbB1 LEU 330 H 0.09 0.70 0.33 -0.55 8.37 8.95 1uzbB1 LEU 330 HA 0.08 0.18 1.06 -0.75 4.35 4.91 1uzbB1 LEU 330 HB2 0.25 -0.02 0.05 -0.04 1.64 1.88 1uzbB1 LEU 330 HB3 0.08 -0.04 -0.18 -0.04 1.64 1.46 1uzbB1 LEU 330 HG 0.02 0.06 -0.33 -0.04 1.64 1.35 1uzbB1 LEU 330 HD13 -0.23 0.02 -0.09 -0.04 0.93 0.59 1uzbB1 LEU 330 HD23 -0.00 0.02 -0.21 -0.04 0.89 0.65 1uzbB1 THR 331 H 0.10 0.39 0.28 -0.55 8.28 8.50 1uzbB1 THR 331 HA 0.05 0.24 0.46 -0.75 4.39 4.39 1uzbB1 THR 331 HB 0.10 0.05 0.05 -0.04 4.32 4.48 1uzbB1 THR 331 HG23 0.11 0.04 -0.17 -0.04 1.22 1.17 1uzbB1 GLN 332 H 0.05 0.40 0.30 -0.55 8.47 8.67 1uzbB1 GLN 332 HA 0.04 0.08 0.38 -0.75 4.36 4.11 1uzbB1 GLN 332 HB2 0.04 -0.04 0.22 -0.04 2.15 2.33 1uzbB1 GLN 332 HB3 0.02 0.03 0.09 -0.04 2.02 2.11 1uzbB1 GLN 332 HG2 -0.02 0.01 0.04 -0.04 2.40 2.38 1uzbB1 GLN 332 HG3 0.02 0.12 0.35 -0.04 2.39 2.84 1uzbB1 GLN 332 HE21 -0.01 0.02 0.02 -0.04 6.97 6.95 1uzbB1 GLN 332 HE22 -0.04 0.02 -0.04 -0.04 7.69 7.60 1uzbB1 GLY 333 H 0.09 0.05 -0.10 -0.55 8.43 7.92 1uzbB1 GLY 333 HA2 0.08 0.14 0.43 -0.51 4.01 4.15 1uzbB1 GLY 333 HA3 0.11 -0.03 0.33 -0.51 4.01 3.92 1uzbB1 ALA 334 H 0.09 0.30 -0.40 -0.55 8.40 7.85 1uzbB1 ALA 334 HA -0.23 0.20 0.75 -0.75 4.34 4.31 1uzbB1 ALA 334 HB3 0.10 -0.02 -0.30 -0.04 1.41 1.14 1uzbB1 TYR 335 H 0.12 0.36 -0.18 -0.55 8.29 8.05 1uzbB1 TYR 335 HA -0.06 0.00 0.23 -0.75 4.56 3.98 1uzbB1 TYR 335 HB2 -0.02 0.07 0.01 -0.04 3.06 3.07 1uzbB1 TYR 335 HB3 -0.03 -0.01 0.14 -0.04 2.98 3.04 1uzbB1 TYR 335 HD2 -0.02 0.01 -0.11 -0.04 7.15 6.99 1uzbB1 TYR 335 HE2 -0.00 0.01 -0.12 -0.04 6.85 6.70 1uzbB1 GLU 336 H 0.11 0.19 -0.06 -0.55 8.60 8.29 1uzbB1 GLU 336 HA -0.12 0.06 0.41 -0.75 4.29 3.89 1uzbB1 GLU 336 HB2 0.01 0.05 0.09 -0.04 2.09 2.19 1uzbB1 GLU 336 HB3 -0.01 0.01 -0.04 -0.04 1.99 1.91 1uzbB1 GLU 336 HG2 0.19 -0.03 0.05 -0.04 2.34 2.51 1uzbB1 GLU 336 HG3 0.07 0.03 0.02 -0.04 2.34 2.42 1uzbB1 PRO 337 HA -0.15 0.06 0.40 -0.51 4.44 4.24 1uzbB1 PRO 337 HB2 -1.29 0.02 0.04 -0.04 2.28 1.02 1uzbB1 PRO 337 HB3 -0.27 -0.00 0.05 -0.04 2.02 1.76 1uzbB1 PRO 337 HG2 -0.16 0.15 0.09 -0.04 2.03 2.07 1uzbB1 PRO 337 HG3 -0.07 0.02 0.04 -0.04 2.03 1.98 1uzbB1 PRO 337 HD2 -0.24 0.08 -0.41 -0.04 3.68 3.06 1uzbB1 PRO 337 HD3 -0.07 0.04 0.03 -0.04 3.65 3.61 1uzbB1 VAL 338 H -0.45 0.61 -0.19 -0.55 8.24 7.66 1uzbB1 VAL 338 HA -0.20 0.02 0.48 -0.75 4.13 3.68 1uzbB1 VAL 338 HB -0.22 0.15 0.03 -0.04 2.12 2.05 1uzbB1 VAL 338 HG13 -0.10 -0.02 -0.20 -0.04 0.97 0.62 1uzbB1 VAL 338 HG23 -0.30 -0.03 -0.03 -0.04 0.95 0.56 1uzbB1 LEU 339 H -0.31 0.69 -0.00 -0.55 8.37 8.19 1uzbB1 LEU 339 HA -0.18 0.01 0.35 -0.75 4.35 3.77 1uzbB1 LEU 339 HB2 -0.60 0.01 0.09 -0.04 1.64 1.09 1uzbB1 LEU 339 HB3 -0.39 0.05 0.12 -0.04 1.64 1.38 1uzbB1 LEU 339 HG -0.15 0.00 -0.24 -0.04 1.64 1.21 1uzbB1 LEU 339 HD13 -0.13 -0.01 -0.04 -0.04 0.93 0.71 1uzbB1 LEU 339 HD23 -0.25 -0.01 -0.07 -0.04 0.89 0.51 1uzbB1 GLU 340 H -0.15 0.61 -0.16 -0.55 8.60 8.35 1uzbB1 GLU 340 HA -0.07 0.03 0.37 -0.75 4.29 3.87 1uzbB1 GLU 340 HB2 -0.07 0.08 0.09 -0.04 2.09 2.15 1uzbB1 GLU 340 HB3 -0.04 -0.04 -0.01 -0.04 1.99 1.86 1uzbB1 GLU 340 HG2 -0.05 -0.04 0.02 -0.04 2.34 2.23 1uzbB1 GLU 340 HG3 -0.08 0.27 0.10 -0.04 2.34 2.60 1uzbB1 ARG 341 H -0.09 0.38 -0.26 -0.55 8.46 7.94 1uzbB1 ARG 341 HA -0.03 0.03 0.43 -0.75 4.34 4.02 1uzbB1 ARG 341 HB2 -0.05 0.11 0.16 -0.04 1.90 2.08 1uzbB1 ARG 341 HB3 -0.02 -0.07 0.00 -0.04 1.80 1.67 1uzbB1 ARG 341 HG2 0.00 -0.04 -0.01 -0.04 1.67 1.58 1uzbB1 ARG 341 HG3 -0.03 0.16 0.08 -0.04 1.67 1.84 1uzbB1 ARG 341 HD2 0.05 0.02 -0.20 -0.04 3.22 3.04 1uzbB1 ARG 341 HD3 0.05 -0.06 -0.29 -0.04 3.22 2.88 1uzbB1 VAL 342 H -0.07 0.63 -0.11 -0.55 8.24 8.14 1uzbB1 VAL 342 HA -0.02 0.01 0.41 -0.75 4.13 3.78 1uzbB1 VAL 342 HB -0.06 0.10 0.11 -0.04 2.12 2.23 1uzbB1 VAL 342 HG13 0.02 -0.00 -0.20 -0.04 0.97 0.75 1uzbB1 VAL 342 HG23 -0.06 0.03 -0.03 -0.04 0.95 0.86 1uzbB1 LEU 343 H -0.05 0.61 -0.15 -0.55 8.37 8.24 1uzbB1 LEU 343 HA -0.02 0.03 0.36 -0.75 4.35 3.96 1uzbB1 LEU 343 HB2 -0.04 0.08 0.12 -0.04 1.64 1.76 1uzbB1 LEU 343 HB3 -0.04 -0.01 -0.03 -0.04 1.64 1.53 1uzbB1 LEU 343 HG -0.05 0.09 0.01 -0.04 1.64 1.64 1uzbB1 LEU 343 HD13 -0.04 -0.02 -0.09 -0.04 0.93 0.74 1uzbB1 LEU 343 HD23 -0.03 -0.00 -0.13 -0.04 0.89 0.69 1uzbB1 LYS 344 H -0.03 0.49 -0.16 -0.55 8.42 8.17 1uzbB1 LYS 344 HA -0.03 0.04 0.39 -0.75 4.32 3.97 1uzbB1 LYS 344 HB2 -0.02 0.05 0.13 -0.04 1.87 1.99 1uzbB1 LYS 344 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 1uzbB1 LYS 344 HG2 -0.02 -0.04 0.02 -0.04 1.46 1.38 1uzbB1 LYS 344 HG3 -0.03 0.20 0.09 -0.04 1.46 1.68 1uzbB1 LYS 344 HD2 -0.02 -0.03 -0.08 -0.04 1.69 1.52 1uzbB1 LYS 344 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.57 1uzbB1 LYS 344 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.85 1uzbB1 LYS 344 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1uzbB1 ARG 345 H -0.02 0.45 -0.27 -0.55 8.46 8.07 1uzbB1 ARG 345 HA -0.02 0.04 0.48 -0.75 4.34 4.09 1uzbB1 ARG 345 HB2 0.00 0.11 0.13 -0.04 1.90 2.10 1uzbB1 ARG 345 HB3 0.01 -0.05 -0.05 -0.04 1.80 1.66 1uzbB1 ARG 345 HG2 -0.01 -0.05 -0.02 -0.04 1.67 1.55 1uzbB1 ARG 345 HG3 -0.01 0.07 0.01 -0.04 1.67 1.70 1uzbB1 ARG 345 HD2 -0.01 0.00 -0.28 -0.04 3.22 2.89 1uzbB1 ARG 345 HD3 -0.00 -0.02 -0.20 -0.04 3.22 2.96 1uzbB1 ALA 346 H -0.01 0.66 -0.04 -0.55 8.40 8.47 1uzbB1 ALA 346 HA -0.06 -0.00 0.38 -0.75 4.34 3.90 1uzbB1 ALA 346 HB3 -0.04 -0.00 0.02 -0.04 1.41 1.35 1uzbB1 GLU 347 H -0.05 0.51 -0.26 -0.55 8.60 8.25 1uzbB1 GLU 347 HA -0.08 0.06 0.46 -0.75 4.29 3.98 1uzbB1 GLU 347 HB2 -0.05 -0.07 0.12 -0.04 2.09 2.04 1uzbB1 GLU 347 HB3 -0.05 -0.00 0.11 -0.04 1.99 2.00 1uzbB1 GLU 347 HG2 -0.04 0.16 0.14 -0.04 2.34 2.57 1uzbB1 GLU 347 HG3 -0.04 0.00 -0.17 -0.04 2.34 2.10 1uzbB1 ARG 348 H -0.05 0.33 -0.57 -0.55 8.46 7.62 1uzbB1 ARG 348 HA -0.05 0.10 0.69 -0.75 4.34 4.33 1uzbB1 ARG 348 HB2 -0.03 0.14 0.10 -0.04 1.90 2.06 1uzbB1 ARG 348 HB3 -0.04 -0.11 0.13 -0.04 1.80 1.74 1uzbB1 ARG 348 HG2 -0.03 -0.07 -0.01 -0.04 1.67 1.52 1uzbB1 ARG 348 HG3 -0.03 0.19 0.01 -0.04 1.67 1.80 1uzbB1 ARG 348 HD2 -0.02 -0.00 0.02 -0.04 3.22 3.17 1uzbB1 ARG 348 HD3 -0.02 -0.09 0.01 -0.04 3.22 3.08 1uzbB1 LEU 349 H -0.08 0.37 -0.30 -0.55 8.37 7.81 1uzbB1 LEU 349 HA -0.06 -0.06 0.55 -0.75 4.35 4.03 1uzbB1 LEU 349 HB2 -0.14 0.14 0.14 -0.04 1.64 1.73 1uzbB1 LEU 349 HB3 -0.09 -0.03 0.01 -0.04 1.64 1.49 1uzbB1 LEU 349 HG -0.07 0.11 0.10 -0.04 1.64 1.74 1uzbB1 LEU 349 HD13 -0.14 -0.01 0.00 -0.04 0.93 0.74 1uzbB1 LEU 349 HD23 -0.01 -0.03 -0.05 -0.04 0.89 0.76 1uzbB1 SER 350 H -0.06 -0.01 0.27 -0.55 8.46 8.11 1uzbB1 SER 350 HA -0.08 0.20 0.69 -0.75 4.49 4.55 1uzbB1 SER 350 HB2 -0.10 0.05 0.05 -0.04 3.95 3.91 1uzbB1 SER 350 HB3 -0.08 0.09 0.11 -0.04 3.93 4.01 1uzbB1 VAL 351 H -0.12 0.25 0.18 -0.55 8.24 8.00 1uzbB1 VAL 351 HA -0.08 0.36 0.95 -0.75 4.13 4.61 1uzbB1 VAL 351 HB -0.11 -0.07 0.03 -0.04 2.12 1.93 1uzbB1 VAL 351 HG13 -0.01 0.02 -0.22 -0.04 0.97 0.72 1uzbB1 VAL 351 HG23 -0.07 0.02 -0.23 -0.04 0.95 0.63 1uzbB1 GLY 352 H -0.14 0.67 0.24 -0.55 8.43 8.65 1uzbB1 GLY 352 HA2 -1.16 0.05 0.30 -0.51 4.01 2.69 1uzbB1 GLY 352 HA3 -0.36 0.06 0.41 -0.51 4.01 3.61 1uzbB1 PRO 353 HA 0.28 0.00 0.47 -0.51 4.44 4.68 1uzbB1 PRO 353 HB2 0.06 -0.05 0.09 -0.04 2.28 2.34 1uzbB1 PRO 353 HB3 0.15 0.03 0.09 -0.04 2.02 2.25 1uzbB1 PRO 353 HG2 0.04 0.04 0.11 -0.04 2.03 2.17 1uzbB1 PRO 353 HG3 0.20 0.13 0.15 -0.04 2.03 2.47 1uzbB1 PRO 353 HD2 -0.14 0.11 0.17 -0.04 3.68 3.78 1uzbB1 PRO 353 HD3 -0.39 0.17 0.23 -0.04 3.65 3.62 1uzbB1 ALA 354 H 0.18 0.15 0.21 -0.55 8.40 8.39 1uzbB1 ALA 354 HA 0.09 0.11 0.26 -0.75 4.34 4.04 1uzbB1 ALA 354 HB3 0.12 0.11 -0.08 -0.04 1.41 1.52 1uzbB1 GLU 355 H 0.10 0.07 -0.29 -0.55 8.60 7.94 1uzbB1 GLU 355 HA 0.19 0.08 0.37 -0.75 4.29 4.18 1uzbB1 GLU 355 HB2 0.07 0.01 0.06 -0.04 2.09 2.19 1uzbB1 GLU 355 HB3 -0.10 0.01 0.02 -0.04 1.99 1.88 1uzbB1 GLU 355 HG2 0.15 -0.08 -0.09 -0.04 2.34 2.28 1uzbB1 GLU 355 HG3 0.13 0.05 -0.27 -0.04 2.34 2.21 1uzbB1 GLU 356 H 0.03 0.48 -0.45 -0.55 8.60 8.12 1uzbB1 GLU 356 HA -0.07 0.10 0.57 -0.75 4.29 4.14 1uzbB1 GLU 356 HB2 -0.08 0.10 -0.08 -0.04 2.09 1.99 1uzbB1 GLU 356 HB3 -0.09 -0.03 0.07 -0.04 1.99 1.90 1uzbB1 GLU 356 HG2 0.02 -0.03 -0.12 -0.04 2.34 2.18 1uzbB1 GLU 356 HG3 0.02 -0.01 -0.04 -0.04 2.34 2.27 1uzbB1 ASN 357 H -0.11 0.35 -0.54 -0.55 8.53 7.68 1uzbB1 ASN 357 HA -0.23 -0.06 0.37 -0.75 4.76 4.09 1uzbB1 ASN 357 HB2 -2.16 -0.01 -0.07 -0.04 2.88 0.60 1uzbB1 ASN 357 HB3 -0.84 0.15 0.05 -0.04 2.79 2.11 1uzbB1 ASN 357 HD21 -0.21 -0.04 0.03 -0.04 7.03 6.77 1uzbB1 ASN 357 HD22 -0.56 0.07 0.05 -0.04 7.74 7.25 1uzbB1 PRO 358 HA -0.11 0.09 0.38 -0.51 4.44 4.29 1uzbB1 PRO 358 HB2 -0.07 0.05 -0.26 -0.04 2.28 1.95 1uzbB1 PRO 358 HB3 -0.10 0.00 -0.25 -0.04 2.02 1.63 1uzbB1 PRO 358 HG2 0.00 -0.08 -0.62 -0.04 2.03 1.29 1uzbB1 PRO 358 HG3 -0.02 0.24 -0.43 -0.04 2.03 1.77 1uzbB1 PRO 358 HD2 -0.02 0.04 0.04 -0.04 3.68 3.71 1uzbB1 PRO 358 HD3 -0.07 0.16 -0.30 -0.04 3.65 3.40 1uzbB1 ASP 359 H -0.06 0.10 0.16 -0.55 8.40 8.05 1uzbB1 ASP 359 HA -0.01 0.00 0.49 -0.75 4.63 4.36 1uzbB1 ASP 359 HB2 -0.04 0.17 0.25 -0.04 2.71 3.05 1uzbB1 ASP 359 HB3 -0.01 0.01 0.07 -0.04 2.70 2.73 1uzbB1 LEU 360 H -0.02 0.43 0.05 -0.55 8.37 8.28 1uzbB1 LEU 360 HA 0.06 0.03 0.95 -0.75 4.35 4.64 1uzbB1 LEU 360 HB2 -0.01 0.04 0.15 -0.04 1.64 1.77 1uzbB1 LEU 360 HB3 0.04 0.19 0.05 -0.04 1.64 1.88 1uzbB1 LEU 360 HG 0.06 0.01 0.12 -0.04 1.64 1.79 1uzbB1 LEU 360 HD13 -0.02 -0.04 -0.28 -0.04 0.93 0.55 1uzbB1 LEU 360 HD23 -0.01 0.00 0.02 -0.04 0.89 0.87 1uzbB1 GLY 361 H 0.11 0.06 0.09 -0.55 8.43 8.14 1uzbB1 GLY 361 HA2 0.15 0.33 0.75 -0.51 4.01 4.73 1uzbB1 GLY 361 HA3 0.16 0.12 0.38 -0.51 4.01 4.17 1uzbB1 PRO 362 HA 0.17 0.10 0.42 -0.51 4.44 4.63 1uzbB1 PRO 362 HB2 -0.12 0.10 -0.07 -0.04 2.28 2.15 1uzbB1 PRO 362 HB3 -0.48 -0.11 -0.26 -0.04 2.02 1.13 1uzbB1 PRO 362 HG2 0.07 0.14 -0.25 -0.04 2.03 1.95 1uzbB1 PRO 362 HG3 0.01 -0.15 -0.56 -0.04 2.03 1.29 1uzbB1 PRO 362 HD2 0.18 0.16 0.23 -0.04 3.68 4.21 1uzbB1 PRO 362 HD3 0.32 0.00 0.12 -0.04 3.65 4.06 1uzbB1 VAL 363 H 0.05 0.57 0.29 -0.55 8.24 8.60 1uzbB1 VAL 363 HA -0.07 0.15 0.60 -0.75 4.13 4.05 1uzbB1 VAL 363 HB -0.04 -0.14 0.12 -0.04 2.12 2.01 1uzbB1 VAL 363 HG13 0.02 0.04 0.09 -0.04 0.97 1.07 1uzbB1 VAL 363 HG23 -0.02 0.05 0.01 -0.04 0.95 0.95 1uzbB1 VAL 364 H -0.19 0.10 0.17 -0.55 8.24 7.76 1uzbB1 VAL 364 HA -0.07 0.24 0.25 -0.75 4.13 3.80 1uzbB1 VAL 364 HB -0.51 0.07 0.18 -0.04 2.12 1.82 1uzbB1 VAL 364 HG13 -1.49 -0.06 -0.04 -0.04 0.97 -0.67 1uzbB1 VAL 364 HG23 -0.18 0.02 0.14 -0.04 0.95 0.88 1uzbB1 SER 365 H -0.37 0.12 -0.03 -0.55 8.46 7.64 1uzbB1 SER 365 HA -0.40 0.30 0.71 -0.75 4.49 4.35 1uzbB1 SER 365 HB2 -0.29 -0.07 0.22 -0.04 3.95 3.77 1uzbB1 SER 365 HB3 -0.34 0.22 -0.16 -0.04 3.93 3.62 1uzbB1 ALA 366 H -0.53 0.24 0.20 -0.55 8.40 7.76 1uzbB1 ALA 366 HA -0.76 0.18 0.48 -0.75 4.34 3.48 1uzbB1 ALA 366 HB3 -0.15 0.04 0.12 -0.04 1.41 1.38 1uzbB1 GLU 367 H -0.24 0.08 -0.07 -0.55 8.60 7.83 1uzbB1 GLU 367 HA -0.10 0.14 0.47 -0.75 4.29 4.04 1uzbB1 GLU 367 HB2 -0.09 0.04 0.11 -0.04 2.09 2.11 1uzbB1 GLU 367 HB3 -0.14 -0.05 0.09 -0.04 1.99 1.85 1uzbB1 GLU 367 HG2 -0.03 0.00 -0.01 -0.04 2.34 2.26 1uzbB1 GLU 367 HG3 -0.03 0.03 -0.23 -0.04 2.34 2.07 1uzbB1 GLN 368 H -0.24 0.02 -0.25 -0.55 8.47 7.45 1uzbB1 GLN 368 HA 0.00 0.10 0.45 -0.75 4.36 4.15 1uzbB1 GLN 368 HB2 -0.25 0.00 0.13 -0.04 2.15 1.99 1uzbB1 GLN 368 HB3 -0.21 0.00 0.10 -0.04 2.02 1.87 1uzbB1 GLN 368 HG2 0.04 -0.05 0.11 -0.04 2.40 2.46 1uzbB1 GLN 368 HG3 0.06 0.09 0.00 -0.04 2.39 2.50 1uzbB1 GLN 368 HE21 0.32 0.05 0.08 -0.04 6.97 7.38 1uzbB1 GLN 368 HE22 0.23 0.09 0.06 -0.04 7.69 8.03 1uzbB1 GLU 369 H -0.25 0.44 -0.22 -0.55 8.60 8.03 1uzbB1 GLU 369 HA -0.03 0.06 0.41 -0.75 4.29 3.98 1uzbB1 GLU 369 HB2 -0.21 0.06 0.11 -0.04 2.09 2.01 1uzbB1 GLU 369 HB3 -0.19 0.11 0.20 -0.04 1.99 2.06 1uzbB1 GLU 369 HG2 0.01 -0.03 -0.20 -0.04 2.34 2.08 1uzbB1 GLU 369 HG3 0.04 0.02 -0.04 -0.04 2.34 2.32 1uzbB1 ARG 370 H -0.09 0.47 -0.17 -0.55 8.46 8.13 1uzbB1 ARG 370 HA -0.01 0.02 0.39 -0.75 4.34 3.99 1uzbB1 ARG 370 HB2 -0.05 0.04 0.15 -0.04 1.90 2.00 1uzbB1 ARG 370 HB3 -0.04 0.09 0.19 -0.04 1.80 2.01 1uzbB1 ARG 370 HG2 -0.02 -0.01 -0.16 -0.04 1.67 1.44 1uzbB1 ARG 370 HG3 -0.02 -0.01 0.04 -0.04 1.67 1.64 1uzbB1 ARG 370 HD2 -0.02 -0.01 -0.01 -0.04 3.22 3.14 1uzbB1 ARG 370 HD3 -0.03 -0.01 0.01 -0.04 3.22 3.15 1uzbB1 LYS 371 H 0.01 0.48 -0.15 -0.55 8.42 8.21 1uzbB1 LYS 371 HA 0.02 -0.01 0.44 -0.75 4.32 4.02 1uzbB1 LYS 371 HB2 0.07 -0.07 0.12 -0.04 1.87 1.96 1uzbB1 LYS 371 HB3 0.11 0.10 0.21 -0.04 1.79 2.17 1uzbB1 LYS 371 HG2 0.35 0.07 -0.32 -0.04 1.46 1.52 1uzbB1 LYS 371 HG3 0.23 -0.08 0.02 -0.04 1.46 1.59 1uzbB1 LYS 371 HD2 0.17 -0.13 0.01 -0.04 1.69 1.70 1uzbB1 LYS 371 HD3 0.20 0.03 0.03 -0.04 1.68 1.90 1uzbB1 LYS 371 HE2 0.25 0.21 0.08 -0.04 2.99 3.49 1uzbB1 LYS 371 HE3 0.42 -0.09 0.02 -0.04 2.99 3.30 1uzbB1 VAL 372 H 0.09 0.63 -0.04 -0.55 8.24 8.37 1uzbB1 VAL 372 HA 0.23 0.04 0.39 -0.75 4.13 4.03 1uzbB1 VAL 372 HB 0.08 0.05 0.11 -0.04 2.12 2.32 1uzbB1 VAL 372 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.87 1uzbB1 VAL 372 HG23 0.12 0.07 0.01 -0.04 0.95 1.11 1uzbB1 LEU 373 H 0.06 0.64 -0.13 -0.55 8.37 8.39 1uzbB1 LEU 373 HA 0.09 0.04 0.40 -0.75 4.35 4.12 1uzbB1 LEU 373 HB2 0.03 0.09 0.11 -0.04 1.64 1.83 1uzbB1 LEU 373 HB3 0.04 -0.06 0.02 -0.04 1.64 1.60 1uzbB1 LEU 373 HG 0.05 0.17 0.05 -0.04 1.64 1.86 1uzbB1 LEU 373 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1uzbB1 LEU 373 HD23 0.06 -0.01 -0.11 -0.04 0.89 0.79 1uzbB1 SER 374 H 0.03 0.50 -0.30 -0.55 8.46 8.15 1uzbB1 SER 374 HA -0.01 -0.00 0.46 -0.75 4.49 4.18 1uzbB1 SER 374 HB2 -0.05 0.00 0.14 -0.04 3.95 3.99 1uzbB1 SER 374 HB3 -0.11 0.16 0.21 -0.04 3.93 4.15 1uzbB1 TYR 375 H 0.13 0.59 -0.09 -0.55 8.29 8.36 1uzbB1 TYR 375 HA 0.02 -0.03 0.46 -0.75 4.56 4.25 1uzbB1 TYR 375 HB2 0.06 0.16 0.15 -0.04 3.06 3.40 1uzbB1 TYR 375 HB3 0.05 -0.03 -0.04 -0.04 2.98 2.92 1uzbB1 TYR 375 HD2 0.03 0.01 -0.05 -0.04 7.15 7.10 1uzbB1 TYR 375 HE2 0.05 -0.03 -0.08 -0.04 6.85 6.74 1uzbB1 ILE 376 H 0.17 0.44 -0.37 -0.55 8.25 7.95 1uzbB1 ILE 376 HA 0.34 0.01 0.43 -0.75 4.18 4.21 1uzbB1 ILE 376 HB 0.14 0.15 0.17 -0.04 1.89 2.31 1uzbB1 ILE 376 HG12 0.28 -0.07 -0.03 -0.04 1.49 1.63 1uzbB1 ILE 376 HG13 0.21 0.14 -0.02 -0.04 1.21 1.50 1uzbB1 ILE 376 HG23 0.19 0.02 -0.08 -0.04 0.93 1.02 1uzbB1 ILE 376 HD13 0.11 -0.03 -0.18 -0.04 0.88 0.74 1uzbB1 GLU 377 H 0.08 0.44 -0.19 -0.55 8.60 8.39 1uzbB1 GLU 377 HA 0.08 0.04 0.46 -0.75 4.29 4.12 1uzbB1 GLU 377 HB2 0.01 0.15 0.20 -0.04 2.09 2.41 1uzbB1 GLU 377 HB3 0.02 -0.06 0.03 -0.04 1.99 1.94 1uzbB1 GLU 377 HG2 0.05 0.22 0.10 -0.04 2.34 2.66 1uzbB1 GLU 377 HG3 0.02 -0.06 0.03 -0.04 2.34 2.29 1uzbB1 ILE 378 H 0.01 0.46 -0.16 -0.55 8.25 8.01 1uzbB1 ILE 378 HA -0.01 0.02 0.41 -0.75 4.18 3.85 1uzbB1 ILE 378 HB 0.05 0.14 0.15 -0.04 1.89 2.18 1uzbB1 ILE 378 HG12 -0.05 -0.05 0.03 -0.04 1.49 1.37 1uzbB1 ILE 378 HG13 -0.08 0.27 0.10 -0.04 1.21 1.46 1uzbB1 ILE 378 HG23 0.01 -0.04 -0.08 -0.04 0.93 0.79 1uzbB1 ILE 378 HD13 -0.26 -0.03 -0.06 -0.04 0.88 0.49 1uzbB1 GLY 379 H -0.07 0.60 -0.26 -0.55 8.43 8.15 1uzbB1 GLY 379 HA2 -0.43 -0.10 0.37 -0.51 4.01 3.34 1uzbB1 GLY 379 HA3 -1.03 0.11 0.27 -0.51 4.01 2.85 1uzbB1 LYS 380 H 0.06 0.45 -0.29 -0.55 8.42 8.08 1uzbB1 LYS 380 HA 0.26 0.02 0.43 -0.75 4.32 4.28 1uzbB1 LYS 380 HB2 0.09 0.16 0.13 -0.04 1.87 2.21 1uzbB1 LYS 380 HB3 0.11 -0.06 0.11 -0.04 1.79 1.90 1uzbB1 LYS 380 HG2 0.22 -0.08 0.07 -0.04 1.46 1.62 1uzbB1 LYS 380 HG3 0.30 0.23 0.10 -0.04 1.46 2.05 1uzbB1 LYS 380 HD2 0.10 -0.01 0.04 -0.04 1.69 1.77 1uzbB1 LYS 380 HD3 0.08 -0.06 0.04 -0.04 1.68 1.70 1uzbB1 LYS 380 HE2 0.08 -0.03 0.01 -0.04 2.99 3.01 1uzbB1 LYS 380 HE3 0.13 0.05 -0.04 -0.04 2.99 3.08 1uzbB1 ASN 381 H -0.01 0.36 -0.48 -0.55 8.53 7.85 1uzbB1 ASN 381 HA 0.02 0.13 0.77 -0.75 4.76 4.92 1uzbB1 ASN 381 HB2 -0.01 0.13 0.13 -0.04 2.88 3.10 1uzbB1 ASN 381 HB3 0.00 -0.08 0.14 -0.04 2.79 2.81 1uzbB1 ASN 381 HD21 0.01 -0.08 -0.02 -0.04 7.03 6.90 1uzbB1 ASN 381 HD22 0.00 0.02 0.05 -0.04 7.74 7.77 1uzbB1 GLU 382 H -0.06 0.26 -0.16 -0.55 8.60 8.09 1uzbB1 GLU 382 HA -0.01 0.16 1.05 -0.75 4.29 4.74 1uzbB1 GLU 382 HB2 -0.11 -0.01 0.11 -0.04 2.09 2.04 1uzbB1 GLU 382 HB3 -0.04 -0.09 0.09 -0.04 1.99 1.91 1uzbB1 GLU 382 HG2 -0.02 0.05 -0.09 -0.04 2.34 2.25 1uzbB1 GLU 382 HG3 -0.05 0.29 -0.06 -0.04 2.34 2.48 1uzbB1 GLY 383 H -0.07 0.66 0.23 -0.55 8.43 8.70 1uzbB1 GLY 383 HA2 0.06 0.31 0.87 -0.51 4.01 4.74 1uzbB1 GLY 383 HA3 0.08 -0.10 0.24 -0.51 4.01 3.73 1uzbB1 GLN 384 H 0.19 0.56 0.23 -0.55 8.47 8.90 1uzbB1 GLN 384 HA 0.14 0.21 0.95 -0.75 4.36 4.91 1uzbB1 GLN 384 HB2 0.08 0.04 -0.03 -0.04 2.15 2.20 1uzbB1 GLN 384 HB3 0.10 -0.14 0.09 -0.04 2.02 2.03 1uzbB1 GLN 384 HG2 0.05 -0.07 -0.07 -0.04 2.40 2.26 1uzbB1 GLN 384 HG3 0.05 0.08 -0.30 -0.04 2.39 2.18 1uzbB1 GLN 384 HE21 0.04 -0.02 0.05 -0.04 6.97 7.01 1uzbB1 GLN 384 HE22 0.04 0.18 0.02 -0.04 7.69 7.89 1uzbB1 LEU 385 H 0.13 0.22 0.13 -0.55 8.37 8.30 1uzbB1 LEU 385 HA -0.43 0.13 0.63 -0.75 4.35 3.92 1uzbB1 LEU 385 HB2 -0.04 0.02 0.05 -0.04 1.64 1.63 1uzbB1 LEU 385 HB3 -0.02 -0.02 0.16 -0.04 1.64 1.73 1uzbB1 LEU 385 HG -0.17 -0.05 -0.34 -0.04 1.64 1.04 1uzbB1 LEU 385 HD13 -0.62 0.03 -0.16 -0.04 0.93 0.14 1uzbB1 LEU 385 HD23 -0.04 0.04 -0.04 -0.04 0.89 0.81 1uzbB1 VAL 386 H -0.17 0.61 0.42 -0.55 8.24 8.55 1uzbB1 VAL 386 HA -0.04 0.21 0.98 -0.75 4.13 4.52 1uzbB1 VAL 386 HB -0.03 -0.05 0.07 -0.04 2.12 2.07 1uzbB1 VAL 386 HG13 0.01 0.01 -0.21 -0.04 0.97 0.74 1uzbB1 VAL 386 HG23 -0.03 0.02 -0.14 -0.04 0.95 0.75 1uzbB1 LEU 387 H -0.17 0.25 0.20 -0.55 8.37 8.10 1uzbB1 LEU 387 HA -0.08 0.10 0.58 -0.75 4.35 4.20 1uzbB1 LEU 387 HB2 -0.06 0.07 -0.18 -0.04 1.64 1.43 1uzbB1 LEU 387 HB3 -0.07 -0.11 -0.03 -0.04 1.64 1.38 1uzbB1 LEU 387 HG -0.10 0.22 -0.20 -0.04 1.64 1.53 1uzbB1 LEU 387 HD13 -0.07 -0.02 0.07 -0.04 0.93 0.88 1uzbB1 LEU 387 HD23 -0.08 -0.01 -0.22 -0.04 0.89 0.54 1uzbB1 GLY 388 H -0.08 0.10 0.10 -0.55 8.43 8.01 1uzbB1 GLY 388 HA2 -0.06 -0.02 0.30 -0.51 4.01 3.72 1uzbB1 GLY 388 HA3 -0.08 0.34 0.34 -0.51 4.01 4.10 1uzbB1 GLY 389 H -0.05 0.30 0.09 -0.55 8.43 8.22 1uzbB1 GLY 389 HA2 0.01 0.02 0.29 -0.51 4.01 3.81 1uzbB1 GLY 389 HA3 -0.06 0.09 0.47 -0.51 4.01 4.00 1uzbB1 LYS 390 H -0.00 0.08 -0.11 -0.55 8.42 7.84 1uzbB1 LYS 390 HA 0.03 0.19 0.91 -0.75 4.32 4.70 1uzbB1 LYS 390 HB2 -0.00 -0.05 -0.14 -0.04 1.87 1.63 1uzbB1 LYS 390 HB3 0.01 0.07 0.02 -0.04 1.79 1.85 1uzbB1 LYS 390 HG2 0.01 0.05 -0.16 -0.04 1.46 1.32 1uzbB1 LYS 390 HG3 -0.01 0.10 -0.55 -0.04 1.46 0.96 1uzbB1 LYS 390 HD2 -0.01 -0.04 -0.10 -0.04 1.69 1.50 1uzbB1 LYS 390 HD3 0.00 -0.01 -0.05 -0.04 1.68 1.57 1uzbB1 LYS 390 HE2 -0.00 -0.01 -0.05 -0.04 2.99 2.88 1uzbB1 LYS 390 HE3 -0.01 0.08 -0.08 -0.04 2.99 2.93 1uzbB1 ARG 391 H 0.03 0.12 0.16 -0.55 8.46 8.22 1uzbB1 ARG 391 HA 0.06 0.18 0.72 -0.75 4.34 4.54 1uzbB1 ARG 391 HB2 0.05 -0.05 0.08 -0.04 1.90 1.94 1uzbB1 ARG 391 HB3 0.04 -0.08 0.13 -0.04 1.80 1.85 1uzbB1 ARG 391 HG2 0.04 -0.11 -0.03 -0.04 1.67 1.54 1uzbB1 ARG 391 HG3 0.06 0.23 -0.19 -0.04 1.67 1.72 1uzbB1 ARG 391 HD2 0.08 0.34 0.12 -0.04 3.22 3.72 1uzbB1 ARG 391 HD3 0.06 -0.13 -0.03 -0.04 3.22 3.09 1uzbB1 LEU 392 H 0.11 0.72 0.25 -0.55 8.37 8.90 1uzbB1 LEU 392 HA 0.04 0.08 0.74 -0.75 4.35 4.45 1uzbB1 LEU 392 HB2 0.15 0.02 -0.08 -0.04 1.64 1.68 1uzbB1 LEU 392 HB3 0.02 -0.03 0.05 -0.04 1.64 1.64 1uzbB1 LEU 392 HG 0.05 -0.02 -0.25 -0.04 1.64 1.38 1uzbB1 LEU 392 HD13 -0.02 0.00 -0.17 -0.04 0.93 0.70 1uzbB1 LEU 392 HD23 -0.01 0.01 -0.14 -0.04 0.89 0.71 1uzbB1 GLU 393 H 0.03 0.06 0.13 -0.55 8.60 8.28 1uzbB1 GLU 393 HA 0.06 0.06 0.44 -0.75 4.29 4.09 1uzbB1 GLU 393 HB2 0.02 -0.00 0.15 -0.04 2.09 2.21 1uzbB1 GLU 393 HB3 0.02 -0.00 0.07 -0.04 1.99 2.04 1uzbB1 GLU 393 HG2 0.02 0.01 0.07 -0.04 2.34 2.39 1uzbB1 GLU 393 HG3 0.01 -0.01 0.03 -0.04 2.34 2.33 1uzbB1 GLY 394 H 0.06 0.07 0.15 -0.55 8.43 8.16 1uzbB1 GLY 394 HA2 0.07 -0.07 0.39 -0.51 4.01 3.88 1uzbB1 GLY 394 HA3 0.23 0.21 0.89 -0.51 4.01 4.83 1uzbB1 GLU 395 H -0.00 0.09 0.18 -0.55 8.60 8.32 1uzbB1 GLU 395 HA -0.09 0.10 0.49 -0.75 4.29 4.04 1uzbB1 GLU 395 HB2 -0.12 -0.00 0.08 -0.04 2.09 2.00 1uzbB1 GLU 395 HB3 -0.05 -0.02 0.13 -0.04 1.99 2.00 1uzbB1 GLU 395 HG2 -0.05 -0.00 0.14 -0.04 2.34 2.39 1uzbB1 GLU 395 HG3 -0.16 0.07 -0.14 -0.04 2.34 2.07 1uzbB1 GLY 396 H -0.19 -0.03 -0.19 -0.55 8.43 7.48 1uzbB1 GLY 396 HA2 -0.77 0.10 0.25 -0.51 4.01 3.09 1uzbB1 GLY 396 HA3 -1.10 0.03 0.19 -0.51 4.01 2.62 1uzbB1 TYR 397 H -0.80 0.46 0.18 -0.55 8.29 7.58 1uzbB1 TYR 397 HA -0.21 0.17 0.47 -0.75 4.56 4.23 1uzbB1 TYR 397 HB2 -0.18 0.16 0.21 -0.04 3.06 3.21 1uzbB1 TYR 397 HB3 -0.12 -0.09 0.10 -0.04 2.98 2.83 1uzbB1 TYR 397 HD2 -0.13 0.16 -0.08 -0.04 7.15 7.06 1uzbB1 TYR 397 HE2 -0.10 0.03 -0.01 -0.04 6.85 6.72 1uzbB1 PHE 398 H -0.33 0.63 -0.15 -0.55 8.34 7.94 1uzbB1 PHE 398 HA 0.02 0.08 0.53 -0.75 4.62 4.50 1uzbB1 PHE 398 HB2 -0.01 0.04 -0.03 -0.04 3.15 3.10 1uzbB1 PHE 398 HB3 -0.01 0.02 -0.19 -0.04 3.06 2.84 1uzbB1 PHE 398 HD2 -0.01 0.16 -0.34 -0.04 7.28 7.04 1uzbB1 PHE 398 HE2 -0.02 -0.05 -0.19 -0.04 7.38 7.08 1uzbB1 PHE 398 HZ -0.02 0.03 0.02 -0.04 7.32 7.31 1uzbB1 ILE 399 H 0.14 0.30 0.22 -0.55 8.25 8.36 1uzbB1 ILE 399 HA 0.07 0.16 0.98 -0.75 4.18 4.64 1uzbB1 ILE 399 HB 0.06 0.01 0.08 -0.04 1.89 2.00 1uzbB1 ILE 399 HG12 0.07 0.03 -0.18 -0.04 1.49 1.36 1uzbB1 ILE 399 HG13 0.07 -0.00 -0.39 -0.04 1.21 0.84 1uzbB1 ILE 399 HG23 0.06 0.05 -0.15 -0.04 0.93 0.84 1uzbB1 ILE 399 HD13 0.05 -0.02 -0.05 -0.04 0.88 0.82 1uzbB1 ALA 400 H 0.02 0.45 0.20 -0.55 8.40 8.52 1uzbB1 ALA 400 HA -0.04 0.14 0.51 -0.75 4.34 4.19 1uzbB1 ALA 400 HB3 -0.04 -0.04 0.07 -0.04 1.41 1.36 1uzbB1 PRO 401 HA -0.28 0.11 0.47 -0.51 4.44 4.23 1uzbB1 PRO 401 HB2 -0.44 -0.02 0.02 -0.04 2.28 1.80 1uzbB1 PRO 401 HB3 -1.46 -0.01 0.03 -0.04 2.02 0.55 1uzbB1 PRO 401 HG2 -0.31 0.10 0.07 -0.04 2.03 1.86 1uzbB1 PRO 401 HG3 -0.35 0.03 0.06 -0.04 2.03 1.74 1uzbB1 PRO 401 HD2 -0.16 0.08 0.18 -0.04 3.68 3.75 1uzbB1 PRO 401 HD3 -0.12 0.15 0.19 -0.04 3.65 3.82 1uzbB1 THR 402 H 0.12 0.63 0.37 -0.55 8.28 8.86 1uzbB1 THR 402 HA -0.08 0.32 0.96 -0.75 4.39 4.83 1uzbB1 THR 402 HB 0.09 0.02 0.20 -0.04 4.32 4.60 1uzbB1 THR 402 HG23 -0.21 0.01 -0.07 -0.04 1.22 0.90 1uzbB1 VAL 403 H -0.17 0.49 0.28 -0.55 8.24 8.29 1uzbB1 VAL 403 HA 0.06 0.32 1.03 -0.75 4.13 4.79 1uzbB1 VAL 403 HB -0.04 -0.09 0.01 -0.04 2.12 1.95 1uzbB1 VAL 403 HG13 0.02 -0.01 -0.23 -0.04 0.97 0.70 1uzbB1 VAL 403 HG23 0.09 0.00 -0.33 -0.04 0.95 0.67 1uzbB1 PHE 404 H 0.20 0.76 0.38 -0.55 8.34 9.13 1uzbB1 PHE 404 HA 0.04 0.28 0.92 -0.75 4.62 5.10 1uzbB1 PHE 404 HB2 0.04 0.02 0.10 -0.04 3.15 3.27 1uzbB1 PHE 404 HB3 0.04 -0.01 -0.07 -0.04 3.06 2.98 1uzbB1 PHE 404 HD2 0.05 0.01 -0.39 -0.04 7.28 6.90 1uzbB1 PHE 404 HE2 0.05 0.02 -0.24 -0.04 7.38 7.16 1uzbB1 PHE 404 HZ 0.05 0.16 0.02 -0.04 7.32 7.51 1uzbB1 THR 405 H 0.17 0.64 0.34 -0.55 8.28 8.88 1uzbB1 THR 405 HA 0.14 0.18 1.06 -0.75 4.39 5.02 1uzbB1 THR 405 HB 0.20 -0.10 0.11 -0.04 4.32 4.49 1uzbB1 THR 405 HG23 0.05 0.00 -0.15 -0.04 1.22 1.08 1uzbB1 GLU 406 H 0.16 0.11 0.18 -0.55 8.60 8.50 1uzbB1 GLU 406 HA 0.04 -0.05 0.37 -0.75 4.29 3.90 1uzbB1 GLU 406 HB2 0.07 0.16 -0.04 -0.04 2.09 2.24 1uzbB1 GLU 406 HB3 0.03 0.03 0.23 -0.04 1.99 2.24 1uzbB1 GLU 406 HG2 0.09 -0.09 -0.11 -0.04 2.34 2.19 1uzbB1 GLU 406 HG3 0.04 0.04 -0.04 -0.04 2.34 2.33 1uzbB1 VAL 407 H 0.08 0.35 -0.11 -0.55 8.24 8.00 1uzbB1 VAL 407 HA 0.03 0.26 0.58 -0.75 4.13 4.25 1uzbB1 VAL 407 HB 0.05 -0.01 -0.21 -0.04 2.12 1.91 1uzbB1 VAL 407 HG13 -0.00 0.05 -0.30 -0.04 0.97 0.67 1uzbB1 VAL 407 HG23 0.10 -0.03 -0.28 -0.04 0.95 0.70 1uzbB1 PRO 408 HA 0.00 0.09 0.48 -0.51 4.44 4.50 1uzbB1 PRO 408 HB2 0.00 -0.11 0.06 -0.04 2.28 2.19 1uzbB1 PRO 408 HB3 0.00 0.01 0.10 -0.04 2.02 2.09 1uzbB1 PRO 408 HG2 0.00 0.06 0.15 -0.04 2.03 2.20 1uzbB1 PRO 408 HG3 0.00 0.05 0.11 -0.04 2.03 2.15 1uzbB1 PRO 408 HD2 -0.00 -0.04 0.17 -0.04 3.68 3.77 1uzbB1 PRO 408 HD3 0.01 0.48 0.40 -0.04 3.65 4.50 1uzbB1 PRO 409 HA 0.00 0.13 0.35 -0.51 4.44 4.42 1uzbB1 PRO 409 HB2 -0.01 -0.01 0.04 -0.04 2.28 2.26 1uzbB1 PRO 409 HB3 -0.01 0.10 0.10 -0.04 2.02 2.17 1uzbB1 PRO 409 HG2 -0.01 -0.03 0.08 -0.04 2.03 2.03 1uzbB1 PRO 409 HG3 -0.01 0.04 0.08 -0.04 2.03 2.10 1uzbB1 PRO 409 HD2 -0.00 0.04 0.20 -0.04 3.68 3.88 1uzbB1 PRO 409 HD3 -0.00 0.16 0.26 -0.04 3.65 4.03 1uzbB1 LYS 410 H 0.00 -0.01 -0.39 -0.55 8.42 7.47 1uzbB1 LYS 410 HA 0.01 0.33 0.75 -0.75 4.32 4.66 1uzbB1 LYS 410 HB2 0.00 -0.06 -0.01 -0.04 1.87 1.76 1uzbB1 LYS 410 HB3 0.01 -0.01 0.11 -0.04 1.79 1.86 1uzbB1 LYS 410 HG2 0.00 0.14 -0.08 -0.04 1.46 1.49 1uzbB1 LYS 410 HG3 0.00 -0.08 -0.12 -0.04 1.46 1.21 1uzbB1 LYS 410 HD2 0.00 -0.05 -0.02 -0.04 1.69 1.58 1uzbB1 LYS 410 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 1uzbB1 LYS 410 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.88 1uzbB1 LYS 410 HE3 -0.00 -0.04 -0.02 -0.04 2.99 2.88 1uzbB1 ALA 411 H 0.00 0.57 -0.36 -0.55 8.40 8.07 1uzbB1 ALA 411 HA 0.00 0.05 0.43 -0.75 4.34 4.07 1uzbB1 ALA 411 HB3 -0.01 0.00 0.04 -0.04 1.41 1.40 1uzbB1 ARG 412 H 0.02 0.16 0.14 -0.55 8.46 8.23 1uzbB1 ARG 412 HA 0.06 0.13 0.40 -0.75 4.34 4.17 1uzbB1 ARG 412 HB2 0.07 -0.01 0.10 -0.04 1.90 2.02 1uzbB1 ARG 412 HB3 0.16 0.01 0.02 -0.04 1.80 1.95 1uzbB1 ARG 412 HG2 0.05 0.04 0.05 -0.04 1.67 1.77 1uzbB1 ARG 412 HG3 0.03 0.01 0.10 -0.04 1.67 1.77 1uzbB1 ARG 412 HD2 0.03 0.01 0.02 -0.04 3.22 3.23 1uzbB1 ARG 412 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 1uzbB1 ILE 413 H -0.01 0.09 -0.20 -0.55 8.25 7.58 1uzbB1 ILE 413 HA -0.04 0.14 0.43 -0.75 4.18 3.95 1uzbB1 ILE 413 HB -0.09 0.07 0.04 -0.04 1.89 1.87 1uzbB1 ILE 413 HG12 -0.13 -0.09 -0.07 -0.04 1.49 1.16 1uzbB1 ILE 413 HG13 -0.07 0.09 -0.35 -0.04 1.21 0.84 1uzbB1 ILE 413 HG23 -0.07 -0.02 -0.04 -0.04 0.93 0.76 1uzbB1 ILE 413 HD13 -0.43 -0.00 -0.09 -0.04 0.88 0.32 1uzbB1 ALA 414 H 0.00 0.33 -0.80 -0.55 8.40 7.39 1uzbB1 ALA 414 HA 0.01 0.15 0.72 -0.75 4.34 4.47 1uzbB1 ALA 414 HB3 0.01 -0.01 -0.11 -0.04 1.41 1.26 1uzbB1 GLN 415 H 0.03 0.15 -0.19 -0.55 8.47 7.91 1uzbB1 GLN 415 HA 0.08 0.22 0.99 -0.75 4.36 4.90 1uzbB1 GLN 415 HB2 0.05 -0.04 0.03 -0.04 2.15 2.15 1uzbB1 GLN 415 HB3 0.06 -0.12 0.01 -0.04 2.02 1.94 1uzbB1 GLN 415 HG2 0.03 0.10 -0.40 -0.04 2.40 2.09 1uzbB1 GLN 415 HG3 0.03 -0.06 -0.14 -0.04 2.39 2.18 1uzbB1 GLN 415 HE21 0.03 0.50 0.28 -0.04 6.97 7.73 1uzbB1 GLN 415 HE22 0.02 0.46 0.16 -0.04 7.69 8.29 1uzbB1 GLU 416 H 0.03 0.56 0.24 -0.55 8.60 8.89 1uzbB1 GLU 416 HA 0.16 0.09 0.85 -0.75 4.29 4.64 1uzbB1 GLU 416 HB2 0.03 0.03 0.02 -0.04 2.09 2.14 1uzbB1 GLU 416 HB3 0.14 -0.04 -0.00 -0.04 1.99 2.05 1uzbB1 GLU 416 HG2 0.12 0.00 -0.07 -0.04 2.34 2.36 1uzbB1 GLU 416 HG3 0.10 0.03 0.05 -0.04 2.34 2.49 1uzbB1 GLU 417 H 0.10 0.08 0.14 -0.55 8.60 8.37 1uzbB1 GLU 417 HA -0.07 0.12 0.59 -0.75 4.29 4.17 1uzbB1 GLU 417 HB2 -0.19 0.07 0.15 -0.04 2.09 2.08 1uzbB1 GLU 417 HB3 0.01 -0.11 0.20 -0.04 1.99 2.06 1uzbB1 GLU 417 HG2 0.22 -0.07 -0.13 -0.04 2.34 2.32 1uzbB1 GLU 417 HG3 0.01 0.22 0.20 -0.04 2.34 2.73 1uzbB1 ILE 418 H -0.12 0.24 0.29 -0.55 8.25 8.11 1uzbB1 ILE 418 HA -0.34 0.08 0.53 -0.75 4.18 3.70 1uzbB1 ILE 418 HB -0.07 0.05 0.16 -0.04 1.89 1.99 1uzbB1 ILE 418 HG12 -1.14 -0.08 -0.05 -0.04 1.49 0.17 1uzbB1 ILE 418 HG13 -0.44 0.21 0.05 -0.04 1.21 0.99 1uzbB1 ILE 418 HG23 0.06 -0.01 -0.11 -0.04 0.93 0.83 1uzbB1 ILE 418 HD13 -0.08 0.01 0.01 -0.04 0.88 0.78 1uzbB1 PHE 419 H 0.10 0.10 0.10 -0.55 8.34 8.08 1uzbB1 PHE 419 HA 0.00 0.17 0.38 -0.75 4.62 4.42 1uzbB1 PHE 419 HB2 0.05 -0.03 -0.48 -0.04 3.15 2.65 1uzbB1 PHE 419 HB3 0.14 0.02 0.23 -0.04 3.06 3.41 1uzbB1 PHE 419 HD2 0.11 0.03 0.01 -0.04 7.28 7.38 1uzbB1 PHE 419 HE2 -0.43 -0.06 -0.19 -0.04 7.38 6.66 1uzbB1 PHE 419 HZ -0.18 -0.11 -0.18 -0.04 7.32 6.80 1uzbB1 GLY 420 H 0.02 0.13 -0.01 -0.55 8.43 8.03 1uzbB1 GLY 420 HA2 0.03 0.22 0.64 -0.51 4.01 4.39 1uzbB1 GLY 420 HA3 0.09 -0.05 0.19 -0.51 4.01 3.72 1uzbB1 PRO 421 HA 0.19 0.22 0.39 -0.51 4.44 4.72 1uzbB1 PRO 421 HB2 0.17 -0.10 0.11 -0.04 2.28 2.42 1uzbB1 PRO 421 HB3 0.16 -0.02 -0.02 -0.04 2.02 2.10 1uzbB1 PRO 421 HG2 0.08 0.01 -0.07 -0.04 2.03 2.02 1uzbB1 PRO 421 HG3 0.06 0.10 -0.04 -0.04 2.03 2.10 1uzbB1 PRO 421 HD2 0.07 -0.02 0.12 -0.04 3.68 3.81 1uzbB1 PRO 421 HD3 0.04 0.24 0.20 -0.04 3.65 4.09 1uzbB1 VAL 422 H 0.07 0.59 -0.07 -0.55 8.24 8.28 1uzbB1 VAL 422 HA 0.19 0.18 0.98 -0.75 4.13 4.72 1uzbB1 VAL 422 HB 0.10 -0.03 0.02 -0.04 2.12 2.17 1uzbB1 VAL 422 HG13 0.30 -0.01 -0.24 -0.04 0.97 0.98 1uzbB1 VAL 422 HG23 0.16 -0.02 -0.33 -0.04 0.95 0.72 1uzbB1 LEU 423 H 0.16 0.66 0.26 -0.55 8.37 8.90 1uzbB1 LEU 423 HA 0.01 0.28 0.93 -0.75 4.35 4.82 1uzbB1 LEU 423 HB2 -0.14 0.04 -0.08 -0.04 1.64 1.43 1uzbB1 LEU 423 HB3 0.09 -0.01 0.12 -0.04 1.64 1.80 1uzbB1 LEU 423 HG 0.02 -0.05 -0.45 -0.04 1.64 1.11 1uzbB1 LEU 423 HD13 -0.05 0.04 -0.44 -0.04 0.93 0.43 1uzbB1 LEU 423 HD23 -0.03 -0.03 -0.19 -0.04 0.89 0.59 1uzbB1 SER 424 H 0.05 0.72 0.23 -0.55 8.46 8.92 1uzbB1 SER 424 HA 0.17 0.10 0.93 -0.75 4.49 4.94 1uzbB1 SER 424 HB2 0.04 0.11 0.20 -0.04 3.95 4.27 1uzbB1 SER 424 HB3 0.06 -0.07 -0.12 -0.04 3.93 3.75 1uzbB1 VAL 425 H 0.12 0.77 0.36 -0.55 8.24 8.93 1uzbB1 VAL 425 HA 0.06 0.21 0.99 -0.75 4.13 4.64 1uzbB1 VAL 425 HB 0.10 -0.10 0.25 -0.04 2.12 2.33 1uzbB1 VAL 425 HG13 0.04 -0.02 -0.10 -0.04 0.97 0.85 1uzbB1 VAL 425 HG23 0.02 0.03 -0.12 -0.04 0.95 0.84 1uzbB1 ILE 426 H 0.07 0.77 0.41 -0.55 8.25 8.95 1uzbB1 ILE 426 HA 0.07 0.12 0.97 -0.75 4.18 4.59 1uzbB1 ILE 426 HB 0.02 -0.09 0.06 -0.04 1.89 1.85 1uzbB1 ILE 426 HG12 0.03 0.26 -0.25 -0.04 1.49 1.49 1uzbB1 ILE 426 HG13 0.04 -0.09 -0.47 -0.04 1.21 0.64 1uzbB1 ILE 426 HG23 0.00 0.03 -0.12 -0.04 0.93 0.81 1uzbB1 ILE 426 HD13 0.01 0.00 -0.13 -0.04 0.88 0.72 1uzbB1 ARG 427 H 0.02 0.18 0.18 -0.55 8.46 8.28 1uzbB1 ARG 427 HA 0.10 0.24 0.92 -0.75 4.34 4.85 1uzbB1 ARG 427 HB2 -0.40 -0.03 0.06 -0.04 1.90 1.48 1uzbB1 ARG 427 HB3 -0.17 0.01 0.11 -0.04 1.80 1.70 1uzbB1 ARG 427 HG2 -0.09 0.06 -0.16 -0.04 1.67 1.45 1uzbB1 ARG 427 HG3 -0.20 -0.02 -0.02 -0.04 1.67 1.38 1uzbB1 ARG 427 HD2 -0.22 0.01 -0.06 -0.04 3.22 2.91 1uzbB1 ARG 427 HD3 -0.16 -0.05 -0.05 -0.04 3.22 2.91 1uzbB1 VAL 428 H 0.02 0.65 0.32 -0.55 8.24 8.68 1uzbB1 VAL 428 HA -0.03 0.24 0.88 -0.75 4.13 4.47 1uzbB1 VAL 428 HB -0.05 -0.17 -0.06 -0.04 2.12 1.80 1uzbB1 VAL 428 HG13 -0.04 0.06 -0.35 -0.04 0.97 0.59 1uzbB1 VAL 428 HG23 -0.03 -0.01 -0.33 -0.04 0.95 0.54 1uzbB1 LYS 429 H -0.01 0.19 0.16 -0.55 8.42 8.20 1uzbB1 LYS 429 HA 0.01 0.10 0.56 -0.75 4.32 4.24 1uzbB1 LYS 429 HB2 0.00 0.10 0.14 -0.04 1.87 2.08 1uzbB1 LYS 429 HB3 0.01 -0.06 0.20 -0.04 1.79 1.90 1uzbB1 LYS 429 HG2 0.04 -0.07 -0.27 -0.04 1.46 1.11 1uzbB1 LYS 429 HG3 0.02 0.03 0.05 -0.04 1.46 1.53 1uzbB1 LYS 429 HD2 0.01 0.07 0.03 -0.04 1.69 1.76 1uzbB1 LYS 429 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 1uzbB1 LYS 429 HE2 0.04 -0.07 -0.02 -0.04 2.99 2.90 1uzbB1 LYS 429 HE3 0.03 0.02 0.01 -0.04 2.99 3.01 1uzbB1 ASP 430 H 0.00 0.12 0.10 -0.55 8.40 8.08 1uzbB1 ASP 430 HA 0.08 0.18 0.79 -0.75 4.63 4.92 1uzbB1 ASP 430 HB2 0.13 -0.13 0.21 -0.04 2.71 2.88 1uzbB1 ASP 430 HB3 0.09 0.20 -0.01 -0.04 2.70 2.93 1uzbB1 PHE 431 H 0.16 0.21 0.17 -0.55 8.34 8.33 1uzbB1 PHE 431 HA -0.22 0.12 0.39 -0.75 4.62 4.16 1uzbB1 PHE 431 HB2 -0.44 -0.05 0.15 -0.04 3.15 2.77 1uzbB1 PHE 431 HB3 -0.47 0.06 0.07 -0.04 3.06 2.67 1uzbB1 PHE 431 HD2 -0.80 -0.02 -0.10 -0.04 7.28 6.32 1uzbB1 PHE 431 HE2 -0.34 0.07 -0.09 -0.04 7.38 6.98 1uzbB1 PHE 431 HZ -0.12 0.12 -0.12 -0.04 7.32 7.15 1uzbB1 ALA 432 H 0.07 0.07 -0.10 -0.55 8.40 7.90 1uzbB1 ALA 432 HA -0.38 0.17 0.38 -0.75 4.34 3.75 1uzbB1 ALA 432 HB3 0.28 0.03 0.04 -0.04 1.41 1.72 1uzbB1 GLU 433 H -0.06 -0.03 -0.29 -0.55 8.60 7.67 1uzbB1 GLU 433 HA -0.08 0.16 0.44 -0.75 4.29 4.06 1uzbB1 GLU 433 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.13 1uzbB1 GLU 433 HB3 -0.05 -0.09 0.11 -0.04 1.99 1.91 1uzbB1 GLU 433 HG2 -0.06 0.08 -0.04 -0.04 2.34 2.28 1uzbB1 GLU 433 HG3 -0.04 0.10 0.09 -0.04 2.34 2.45 1uzbB1 ALA 434 H -0.26 0.26 -0.28 -0.55 8.40 7.58 1uzbB1 ALA 434 HA -0.20 0.06 0.32 -0.75 4.34 3.77 1uzbB1 ALA 434 HB3 -0.41 0.02 0.01 -0.04 1.41 1.00 1uzbB1 LEU 435 H -0.64 0.45 -0.19 -0.55 8.37 7.45 1uzbB1 LEU 435 HA -0.66 0.05 0.40 -0.75 4.35 3.39 1uzbB1 LEU 435 HB2 -0.56 0.08 0.12 -0.04 1.64 1.23 1uzbB1 LEU 435 HB3 -0.41 0.09 -0.09 -0.04 1.64 1.18 1uzbB1 LEU 435 HG -1.41 -0.03 -0.03 -0.04 1.64 0.13 1uzbB1 LEU 435 HD13 -1.27 -0.01 -0.15 -0.04 0.93 -0.54 1uzbB1 LEU 435 HD23 -0.52 0.01 -0.11 -0.04 0.89 0.23 1uzbB1 GLU 436 H -0.23 0.34 -0.16 -0.55 8.60 8.00 1uzbB1 GLU 436 HA -0.10 0.07 0.38 -0.75 4.29 3.89 1uzbB1 GLU 436 HB2 -0.09 0.02 0.17 -0.04 2.09 2.14 1uzbB1 GLU 436 HB3 -0.06 0.01 0.01 -0.04 1.99 1.91 1uzbB1 GLU 436 HG2 -0.03 0.02 0.02 -0.04 2.34 2.31 1uzbB1 GLU 436 HG3 -0.08 0.20 0.09 -0.04 2.34 2.51 1uzbB1 VAL 437 H -0.16 0.48 -0.16 -0.55 8.24 7.85 1uzbB1 VAL 437 HA -0.06 0.07 0.43 -0.75 4.13 3.82 1uzbB1 VAL 437 HB -0.12 0.01 0.10 -0.04 2.12 2.07 1uzbB1 VAL 437 HG13 -0.04 0.01 -0.14 -0.04 0.97 0.76 1uzbB1 VAL 437 HG23 -0.06 -0.01 0.02 -0.04 0.95 0.86 1uzbB1 ALA 438 H -0.27 0.42 -0.21 -0.55 8.40 7.80 1uzbB1 ALA 438 HA -0.12 0.02 0.33 -0.75 4.34 3.82 1uzbB1 ALA 438 HB3 -0.70 -0.02 0.06 -0.04 1.41 0.71 1uzbB1 ASN 439 H -0.18 0.47 -0.21 -0.55 8.53 8.07 1uzbB1 ASN 439 HA 0.06 0.10 0.54 -0.75 4.76 4.70 1uzbB1 ASN 439 HB2 -0.06 0.04 0.13 -0.04 2.88 2.96 1uzbB1 ASN 439 HB3 0.03 -0.04 0.10 -0.04 2.79 2.84 1uzbB1 ASN 439 HD21 -0.01 0.29 0.14 -0.04 7.03 7.41 1uzbB1 ASN 439 HD22 -0.07 -0.09 -0.04 -0.04 7.74 7.51 1uzbB1 ASP 440 H -0.04 0.27 -0.36 -0.55 8.40 7.73 1uzbB1 ASP 440 HA 0.01 0.08 0.66 -0.75 4.63 4.63 1uzbB1 ASP 440 HB2 -0.02 -0.01 0.11 -0.04 2.71 2.75 1uzbB1 ASP 440 HB3 -0.02 0.03 0.23 -0.04 2.70 2.90 1uzbB1 THR 441 H 0.05 0.71 0.20 -0.55 8.28 8.69 1uzbB1 THR 441 HA 0.05 0.12 0.62 -0.75 4.39 4.42 1uzbB1 THR 441 HB 0.15 0.01 0.23 -0.04 4.32 4.67 1uzbB1 THR 441 HG23 0.07 0.08 -0.21 -0.04 1.22 1.12 1uzbB1 PRO 442 HA -0.06 0.13 0.62 -0.51 4.44 4.62 1uzbB1 PRO 442 HB2 -0.49 -0.01 0.04 -0.04 2.28 1.77 1uzbB1 PRO 442 HB3 -0.17 -0.01 0.16 -0.04 2.02 1.96 1uzbB1 PRO 442 HG2 -0.09 0.02 0.08 -0.04 2.03 1.99 1uzbB1 PRO 442 HG3 -0.05 0.03 0.04 -0.04 2.03 2.01 1uzbB1 PRO 442 HD2 0.03 0.17 0.25 -0.04 3.68 4.09 1uzbB1 PRO 442 HD3 0.03 0.18 0.25 -0.04 3.65 4.06 1uzbB1 TYR 443 H 0.15 0.10 -0.34 -0.55 8.29 7.66 1uzbB1 TYR 443 HA 0.05 0.08 0.79 -0.75 4.56 4.72 1uzbB1 TYR 443 HB2 0.05 0.07 0.04 -0.04 3.06 3.18 1uzbB1 TYR 443 HB3 0.03 -0.20 0.21 -0.04 2.98 2.99 1uzbB1 TYR 443 HD2 0.03 0.11 -0.21 -0.04 7.15 7.04 1uzbB1 TYR 443 HE2 0.04 0.18 -0.01 -0.04 6.85 7.01 1uzbB1 GLY 444 H 0.19 0.04 0.15 -0.55 8.43 8.26 1uzbB1 GLY 444 HA2 0.11 0.21 0.43 -0.51 4.01 4.25 1uzbB1 GLY 444 HA3 0.12 0.13 0.42 -0.51 4.01 4.17 1uzbB1 LEU 445 H 0.01 0.10 0.15 -0.55 8.37 8.08 1uzbB1 LEU 445 HA -0.25 0.06 0.82 -0.75 4.35 4.23 1uzbB1 LEU 445 HB2 -0.06 0.11 0.07 -0.04 1.64 1.72 1uzbB1 LEU 445 HB3 -0.05 -0.02 0.16 -0.04 1.64 1.69 1uzbB1 LEU 445 HG -0.10 0.05 -0.26 -0.04 1.64 1.28 1uzbB1 LEU 445 HD13 -0.56 0.01 -0.15 -0.04 0.93 0.19 1uzbB1 LEU 445 HD23 0.05 0.07 -0.18 -0.04 0.89 0.79 1uzbB1 THR 446 H -0.03 0.10 0.17 -0.55 8.28 7.97 1uzbB1 THR 446 HA -0.08 0.46 1.15 -0.75 4.39 5.17 1uzbB1 THR 446 HB 0.15 0.10 0.17 -0.04 4.32 4.70 1uzbB1 THR 446 HG23 0.20 -0.03 -0.09 -0.04 1.22 1.26 1uzbB1 GLY 447 H -0.06 0.57 0.40 -0.55 8.43 8.80 1uzbB1 GLY 447 HA2 -0.01 0.19 0.63 -0.51 4.01 4.31 1uzbB1 GLY 447 HA3 -0.62 0.01 0.31 -0.51 4.01 3.21 1uzbB1 GLY 448 H 0.13 0.54 0.47 -0.55 8.43 9.03 1uzbB1 GLY 448 HA2 0.07 0.25 0.95 -0.51 4.01 4.76 1uzbB1 GLY 448 HA3 0.12 0.01 0.40 -0.51 4.01 4.03 1uzbB1 VAL 449 H 0.25 0.60 0.40 -0.55 8.24 8.94 1uzbB1 VAL 449 HA 0.29 0.27 1.00 -0.75 4.13 4.94 1uzbB1 VAL 449 HB 0.21 -0.01 0.04 -0.04 2.12 2.32 1uzbB1 VAL 449 HG13 0.25 -0.05 -0.29 -0.04 0.97 0.84 1uzbB1 VAL 449 HG23 0.46 0.01 -0.22 -0.04 0.95 1.16 1uzbB1 TYR 450 H 0.34 0.79 0.36 -0.55 8.29 9.24 1uzbB1 TYR 450 HA 0.11 0.09 0.97 -0.75 4.56 4.98 1uzbB1 TYR 450 HB2 0.13 0.07 0.21 -0.04 3.06 3.43 1uzbB1 TYR 450 HB3 0.11 -0.10 0.03 -0.04 2.98 2.99 1uzbB1 TYR 450 HD2 0.09 0.00 -0.12 -0.04 7.15 7.08 1uzbB1 TYR 450 HE2 0.06 0.09 -0.33 -0.04 6.85 6.63 1uzbB1 SER 451 H 0.06 0.45 0.14 -0.55 8.46 8.56 1uzbB1 SER 451 HA 0.08 -0.04 0.36 -0.75 4.49 4.14 1uzbB1 SER 451 HB2 0.10 0.10 -0.10 -0.04 3.95 4.01 1uzbB1 SER 451 HB3 -0.04 0.12 -0.24 -0.04 3.93 3.73 1uzbB1 ARG 452 H -0.03 0.04 -0.08 -0.55 8.46 7.84 1uzbB1 ARG 452 HA -0.03 0.27 0.81 -0.75 4.34 4.63 1uzbB1 ARG 452 HB2 -0.05 0.02 0.06 -0.04 1.90 1.88 1uzbB1 ARG 452 HB3 -0.04 0.02 0.10 -0.04 1.80 1.83 1uzbB1 ARG 452 HG2 -0.02 0.01 -0.01 -0.04 1.67 1.61 1uzbB1 ARG 452 HG3 -0.04 0.02 -0.03 -0.04 1.67 1.58 1uzbB1 ARG 452 HD2 -0.06 0.08 0.05 -0.04 3.22 3.25 1uzbB1 ARG 452 HD3 -0.04 -0.02 0.03 -0.04 3.22 3.15 1uzbB1 LYS 453 H -0.12 -0.08 -0.03 -0.55 8.42 7.64 1uzbB1 LYS 453 HA -0.14 0.18 0.58 -0.75 4.32 4.19 1uzbB1 LYS 453 HB2 -0.30 0.04 0.11 -0.04 1.87 1.68 1uzbB1 LYS 453 HB3 -0.50 -0.07 0.16 -0.04 1.79 1.34 1uzbB1 LYS 453 HG2 -0.39 -0.25 -0.11 -0.04 1.46 0.67 1uzbB1 LYS 453 HG3 -0.24 0.12 0.05 -0.04 1.46 1.34 1uzbB1 LYS 453 HD2 -0.40 0.06 0.02 -0.04 1.69 1.33 1uzbB1 LYS 453 HD3 -1.75 -0.05 0.01 -0.04 1.68 -0.15 1uzbB1 LYS 453 HE2 -0.14 0.05 -0.00 -0.04 2.99 2.86 1uzbB1 LYS 453 HE3 -0.21 -0.02 -0.04 -0.04 2.99 2.68 1uzbB1 ARG 454 H -0.09 0.29 0.23 -0.55 8.46 8.35 1uzbB1 ARG 454 HA -0.07 0.12 0.30 -0.75 4.34 3.94 1uzbB1 ARG 454 HB2 -0.04 -0.03 0.10 -0.04 1.90 1.89 1uzbB1 ARG 454 HB3 -0.02 0.07 0.04 -0.04 1.80 1.85 1uzbB1 ARG 454 HG2 -0.04 -0.01 0.16 -0.04 1.67 1.74 1uzbB1 ARG 454 HG3 -0.02 0.06 0.06 -0.04 1.67 1.73 1uzbB1 ARG 454 HD2 -0.04 -0.00 -0.03 -0.04 3.22 3.10 1uzbB1 ARG 454 HD3 -0.02 0.06 0.04 -0.04 3.22 3.26 1uzbB1 GLU 455 H -0.08 0.09 -0.17 -0.55 8.60 7.89 1uzbB1 GLU 455 HA 0.04 0.15 0.37 -0.75 4.29 4.09 1uzbB1 GLU 455 HB2 -0.04 -0.07 0.01 -0.04 2.09 1.95 1uzbB1 GLU 455 HB3 0.05 0.07 -0.00 -0.04 1.99 2.07 1uzbB1 GLU 455 HG2 -0.03 0.07 0.01 -0.04 2.34 2.35 1uzbB1 GLU 455 HG3 -0.01 0.07 -0.00 -0.04 2.34 2.35 1uzbB1 HIS 456 H -0.09 0.17 -0.38 -0.55 8.41 7.56 1uzbB1 HIS 456 HA -0.06 0.11 0.49 -0.75 4.63 4.41 1uzbB1 HIS 456 HB2 -0.44 0.10 0.08 -0.04 3.26 2.96 1uzbB1 HIS 456 HB3 -1.51 0.02 -0.06 -0.04 3.20 1.61 1uzbB1 HIS 456 HD2 0.12 0.07 -0.22 -0.04 6.97 6.90 1uzbB1 HIS 456 HE1 0.01 -0.05 0.05 -0.04 7.75 7.72 1uzbB1 LEU 457 H -0.13 0.39 -0.13 -0.55 8.37 7.95 1uzbB1 LEU 457 HA -0.55 0.05 0.34 -0.75 4.35 3.42 1uzbB1 LEU 457 HB2 -0.19 0.08 0.09 -0.04 1.64 1.58 1uzbB1 LEU 457 HB3 -0.70 0.06 -0.06 -0.04 1.64 0.90 1uzbB1 LEU 457 HG -0.22 -0.01 -0.21 -0.04 1.64 1.15 1uzbB1 LEU 457 HD13 -0.12 0.04 -0.12 -0.04 0.93 0.69 1uzbB1 LEU 457 HD23 -0.60 -0.01 -0.12 -0.04 0.89 0.12 1uzbB1 GLU 458 H 0.02 0.61 -0.06 -0.55 8.60 8.63 1uzbB1 GLU 458 HA 0.17 0.10 0.38 -0.75 4.29 4.19 1uzbB1 GLU 458 HB2 0.09 -0.01 0.04 -0.04 2.09 2.17 1uzbB1 GLU 458 HB3 0.10 0.03 0.01 -0.04 1.99 2.10 1uzbB1 GLU 458 HG2 0.03 0.12 0.06 -0.04 2.34 2.52 1uzbB1 GLU 458 HG3 0.05 -0.03 -0.03 -0.04 2.34 2.29 1uzbB1 TRP 459 H 0.33 0.26 -0.49 -0.55 7.97 7.52 1uzbB1 TRP 459 HA 0.11 0.06 0.40 -0.75 4.62 4.43 1uzbB1 TRP 459 HB2 0.10 0.18 0.18 -0.04 3.23 3.64 1uzbB1 TRP 459 HB3 0.20 0.07 0.17 -0.04 3.23 3.62 1uzbB1 TRP 459 HD1 0.12 0.01 0.00 -0.04 7.22 7.31 1uzbB1 TRP 459 HE1 0.06 0.06 -0.06 -0.04 10.20 10.21 1uzbB1 TRP 459 HE3 0.12 -0.02 -0.08 -0.04 7.59 7.57 1uzbB1 TRP 459 HZ2 0.04 0.05 -0.03 -0.04 7.44 7.47 1uzbB1 TRP 459 HZ3 0.10 -0.12 -0.05 -0.04 7.13 7.02 1uzbB1 TRP 459 HH2 0.07 -0.11 -0.01 -0.04 7.19 7.10 1uzbB1 ALA 460 H 0.31 0.50 -0.20 -0.55 8.40 8.47 1uzbB1 ALA 460 HA 0.22 -0.04 0.38 -0.75 4.34 4.14 1uzbB1 ALA 460 HB3 0.39 0.03 0.04 -0.04 1.41 1.82 1uzbB1 ARG 461 H 0.36 0.39 -0.27 -0.55 8.46 8.39 1uzbB1 ARG 461 HA 0.27 0.05 0.32 -0.75 4.34 4.22 1uzbB1 ARG 461 HB2 0.40 -0.05 0.06 -0.04 1.90 2.27 1uzbB1 ARG 461 HB3 0.23 0.14 0.11 -0.04 1.80 2.24 1uzbB1 ARG 461 HG2 0.13 0.04 -0.16 -0.04 1.67 1.64 1uzbB1 ARG 461 HG3 0.10 0.01 0.03 -0.04 1.67 1.77 1uzbB1 ARG 461 HD2 0.13 -0.03 -0.03 -0.04 3.22 3.25 1uzbB1 ARG 461 HD3 0.09 0.01 -0.03 -0.04 3.22 3.25 1uzbB1 ARG 462 H 0.28 0.24 -0.47 -0.55 8.46 7.96 1uzbB1 ARG 462 HA 0.17 0.16 0.67 -0.75 4.34 4.59 1uzbB1 ARG 462 HB2 0.25 0.02 0.05 -0.04 1.90 2.18 1uzbB1 ARG 462 HB3 0.15 -0.05 0.05 -0.04 1.80 1.91 1uzbB1 ARG 462 HG2 0.13 -0.01 -0.07 -0.04 1.67 1.67 1uzbB1 ARG 462 HG3 0.18 0.29 0.05 -0.04 1.67 2.15 1uzbB1 ARG 462 HD2 0.08 -0.01 -0.02 -0.04 3.22 3.23 1uzbB1 ARG 462 HD3 0.08 -0.06 -0.04 -0.04 3.22 3.16 1uzbB1 GLU 463 H 0.29 0.22 -0.05 -0.55 8.60 8.52 1uzbB1 GLU 463 HA 0.20 0.29 1.07 -0.75 4.29 5.09 1uzbB1 GLU 463 HB2 0.22 -0.03 -0.05 -0.04 2.09 2.19 1uzbB1 GLU 463 HB3 0.16 -0.06 0.02 -0.04 1.99 2.07 1uzbB1 GLU 463 HG2 0.37 -0.02 -0.31 -0.04 2.34 2.34 1uzbB1 GLU 463 HG3 0.51 -0.12 -0.08 -0.04 2.34 2.62 1uzbB1 PHE 464 H 0.32 0.59 0.10 -0.55 8.34 8.80 1uzbB1 PHE 464 HA 0.03 0.02 0.51 -0.75 4.62 4.43 1uzbB1 PHE 464 HB2 0.06 -0.17 0.10 -0.04 3.15 3.10 1uzbB1 PHE 464 HB3 0.11 0.11 0.11 -0.04 3.06 3.35 1uzbB1 PHE 464 HD2 0.07 0.01 -0.30 -0.04 7.28 7.01 1uzbB1 PHE 464 HE2 0.04 0.10 -0.12 -0.04 7.38 7.35 1uzbB1 PHE 464 HZ 0.02 0.06 0.04 -0.04 7.32 7.40 1uzbB1 HIS 465 H 0.37 0.22 0.05 -0.55 8.41 8.50 1uzbB1 HIS 465 HA 0.31 0.14 0.30 -0.75 4.63 4.63 1uzbB1 HIS 465 HB2 0.14 0.05 0.06 -0.04 3.26 3.46 1uzbB1 HIS 465 HB3 0.18 0.02 0.21 -0.04 3.20 3.57 1uzbB1 HIS 465 HD2 0.13 0.02 0.01 -0.04 6.97 7.09 1uzbB1 HIS 465 HE1 -0.54 -0.01 -0.06 -0.04 7.75 7.10 1uzbB1 VAL 466 H 0.08 0.58 0.18 -0.55 8.24 8.53 1uzbB1 VAL 466 HA -0.18 0.14 0.61 -0.75 4.13 3.94 1uzbB1 VAL 466 HB -0.21 0.01 -0.71 -0.04 2.12 1.16 1uzbB1 VAL 466 HG13 0.13 -0.03 -0.53 -0.04 0.97 0.51 1uzbB1 VAL 466 HG23 -0.40 0.00 -0.45 -0.04 0.95 0.06 1uzbB1 GLY 467 H -0.68 0.36 0.27 -0.55 8.43 7.83 1uzbB1 GLY 467 HA2 -1.19 0.02 0.44 -0.51 4.01 2.77 1uzbB1 GLY 467 HA3 -0.80 0.22 0.57 -0.51 4.01 3.49 1uzbB1 ASN 468 H -0.35 0.47 -0.02 -0.55 8.53 8.08 1uzbB1 ASN 468 HA -0.35 0.17 0.85 -0.75 4.76 4.68 1uzbB1 ASN 468 HB2 -0.06 -0.05 0.10 -0.04 2.88 2.83 1uzbB1 ASN 468 HB3 -0.02 -0.03 -0.04 -0.04 2.79 2.66 1uzbB1 ASN 468 HD21 0.07 0.33 -0.35 -0.04 7.03 7.03 1uzbB1 ASN 468 HD22 0.02 -0.10 -0.12 -0.04 7.74 7.50 1uzbB1 LEU 469 H -0.50 0.25 0.07 -0.55 8.37 7.64 1uzbB1 LEU 469 HA -0.39 0.24 0.91 -0.75 4.35 4.36 1uzbB1 LEU 469 HB2 -0.36 0.11 -0.15 -0.04 1.64 1.19 1uzbB1 LEU 469 HB3 -0.42 0.01 0.02 -0.04 1.64 1.20 1uzbB1 LEU 469 HG -0.62 -0.10 -0.33 -0.04 1.64 0.55 1uzbB1 LEU 469 HD13 -0.52 0.01 -0.27 -0.04 0.93 0.11 1uzbB1 LEU 469 HD23 0.07 0.01 -0.22 -0.04 0.89 0.70 1uzbB1 TYR 470 H -0.12 0.51 0.35 -0.55 8.29 8.49 1uzbB1 TYR 470 HA -0.32 0.17 0.96 -0.75 4.56 4.61 1uzbB1 TYR 470 HB2 -0.10 -0.04 -0.03 -0.04 3.06 2.85 1uzbB1 TYR 470 HB3 -0.11 -0.01 -0.14 -0.04 2.98 2.68 1uzbB1 TYR 470 HD2 -0.11 0.04 -0.07 -0.04 7.15 6.96 1uzbB1 TYR 470 HE2 -0.06 -0.01 -0.15 -0.04 6.85 6.59 1uzbB1 PHE 471 H -0.08 0.25 0.12 -0.55 8.34 8.08 1uzbB1 PHE 471 HA -0.09 0.19 1.14 -0.75 4.62 5.10 1uzbB1 PHE 471 HB2 -0.03 0.03 0.12 -0.04 3.15 3.23 1uzbB1 PHE 471 HB3 -0.03 -0.03 0.03 -0.04 3.06 2.99 1uzbB1 PHE 471 HD2 0.01 0.02 -0.12 -0.04 7.28 7.15 1uzbB1 PHE 471 HE2 0.06 0.01 -0.17 -0.04 7.38 7.23 1uzbB1 PHE 471 HZ 0.08 0.04 -0.16 -0.04 7.32 7.24 1uzbB1 ASN 472 H -0.32 0.58 0.36 -0.55 8.53 8.60 1uzbB1 ASN 472 HA -1.07 -0.09 0.36 -0.75 4.76 3.20 1uzbB1 ASN 472 HB2 -0.01 0.20 -0.09 -0.04 2.88 2.94 1uzbB1 ASN 472 HB3 0.01 -0.04 0.23 -0.04 2.79 2.95 1uzbB1 ASN 472 HD21 -0.01 0.38 0.13 -0.04 7.03 7.49 1uzbB1 ASN 472 HD22 0.02 0.06 -0.04 -0.04 7.74 7.73 1uzbB1 ARG 473 H -0.41 0.27 -0.24 -0.55 8.46 7.53 1uzbB1 ARG 473 HA 0.10 0.02 0.37 -0.75 4.34 4.08 1uzbB1 ARG 473 HB2 0.00 -0.05 0.07 -0.04 1.90 1.88 1uzbB1 ARG 473 HB3 0.02 0.13 -0.04 -0.04 1.80 1.86 1uzbB1 ARG 473 HG2 0.03 0.16 -0.32 -0.04 1.67 1.50 1uzbB1 ARG 473 HG3 0.04 -0.01 -0.37 -0.04 1.67 1.29 1uzbB1 ARG 473 HD2 0.04 -0.04 -0.07 -0.04 3.22 3.10 1uzbB1 ARG 473 HD3 0.15 -0.03 -0.08 -0.04 3.22 3.23 1uzbB1 LYS 474 H 0.03 0.10 0.07 -0.55 8.42 8.05 1uzbB1 LYS 474 HA 0.05 0.06 0.36 -0.75 4.32 4.04 1uzbB1 LYS 474 HB2 -0.06 -0.07 0.03 -0.04 1.87 1.74 1uzbB1 LYS 474 HB3 0.00 -0.01 0.10 -0.04 1.79 1.84 1uzbB1 LYS 474 HG2 -0.07 -0.05 0.02 -0.04 1.46 1.31 1uzbB1 LYS 474 HG3 -0.18 0.20 -0.24 -0.04 1.46 1.19 1uzbB1 LYS 474 HD2 -0.06 -0.04 -0.17 -0.04 1.69 1.39 1uzbB1 LYS 474 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.52 1uzbB1 LYS 474 HE2 -0.04 -0.04 -0.10 -0.04 2.99 2.77 1uzbB1 LYS 474 HE3 -0.05 -0.03 -0.06 -0.04 2.99 2.81 1uzbB1 ILE 475 H -0.09 0.09 0.08 -0.55 8.25 7.78 1uzbB1 ILE 475 HA -0.79 0.27 0.76 -0.75 4.18 3.67 1uzbB1 ILE 475 HB 0.03 0.02 0.01 -0.04 1.89 1.91 1uzbB1 ILE 475 HG12 -0.02 -0.14 -0.06 -0.04 1.49 1.23 1uzbB1 ILE 475 HG13 -0.05 0.19 -0.30 -0.04 1.21 1.01 1uzbB1 ILE 475 HG23 0.07 -0.01 -0.25 -0.04 0.93 0.70 1uzbB1 ILE 475 HD13 0.03 -0.02 -0.36 -0.04 0.88 0.48 1uzbB1 THR 476 H -0.22 -0.02 -0.24 -0.55 8.28 7.25 1uzbB1 THR 476 HA -0.15 0.17 0.68 -0.75 4.39 4.34 1uzbB1 THR 476 HB -0.05 -0.10 -0.02 -0.04 4.32 4.11 1uzbB1 THR 476 HG23 -0.05 -0.00 -0.27 -0.04 1.22 0.86 1uzbB1 GLY 477 H -0.16 0.07 0.02 -0.55 8.43 7.81 1uzbB1 GLY 477 HA2 -0.15 0.01 0.21 -0.51 4.01 3.57 1uzbB1 GLY 477 HA3 -0.11 0.07 0.29 -0.51 4.01 3.74 1uzbB1 ALA 478 H -0.27 -0.02 -0.19 -0.55 8.40 7.38 1uzbB1 ALA 478 HA 0.00 0.07 0.25 -0.75 4.34 3.90 1uzbB1 ALA 478 HB3 -0.09 0.05 -0.07 -0.04 1.41 1.27 1uzbB1 LEU 479 H -0.05 0.12 0.13 -0.55 8.37 8.03 1uzbB1 LEU 479 HA -0.17 0.11 0.76 -0.75 4.35 4.30 1uzbB1 LEU 479 HB2 -0.04 -0.06 0.10 -0.04 1.64 1.60 1uzbB1 LEU 479 HB3 -0.05 0.05 -0.00 -0.04 1.64 1.60 1uzbB1 LEU 479 HG -0.06 0.15 -0.01 -0.04 1.64 1.68 1uzbB1 LEU 479 HD13 -0.03 -0.01 -0.02 -0.04 0.93 0.83 1uzbB1 LEU 479 HD23 -0.08 -0.00 -0.06 -0.04 0.89 0.70 1uzbB1 VAL 480 H -0.27 0.11 0.11 -0.55 8.24 7.64 1uzbB1 VAL 480 HA -0.38 0.07 0.33 -0.75 4.13 3.39 1uzbB1 VAL 480 HB -0.23 -0.04 0.06 -0.04 2.12 1.87 1uzbB1 VAL 480 HG13 -0.62 0.01 -0.25 -0.04 0.97 0.06 1uzbB1 VAL 480 HG23 -1.05 0.01 0.00 -0.04 0.95 -0.14 1uzbB1 GLY 481 H -0.57 0.41 0.20 -0.55 8.43 7.93 1uzbB1 GLY 481 HA2 -0.58 0.09 0.39 -0.51 4.01 3.40 1uzbB1 GLY 481 HA3 -0.32 0.04 0.42 -0.51 4.01 3.64 1uzbB1 VAL 482 H -0.07 0.30 -0.76 -0.55 8.24 7.16 1uzbB1 VAL 482 HA -0.00 0.09 0.52 -0.75 4.13 3.99 1uzbB1 VAL 482 HB -0.02 -0.05 0.04 -0.04 2.12 2.06 1uzbB1 VAL 482 HG13 0.00 -0.01 -0.09 -0.04 0.97 0.84 1uzbB1 VAL 482 HG23 0.04 0.03 -0.05 -0.04 0.95 0.93 1uzbB1 GLN 483 H -0.06 0.51 -0.06 -0.55 8.47 8.30 1uzbB1 GLN 483 HA -0.05 0.28 0.91 -0.75 4.36 4.74 1uzbB1 GLN 483 HB2 0.03 -0.21 0.09 -0.04 2.15 2.02 1uzbB1 GLN 483 HB3 0.03 0.07 -0.05 -0.04 2.02 2.03 1uzbB1 GLN 483 HG2 -0.01 0.04 -0.08 -0.04 2.40 2.32 1uzbB1 GLN 483 HG3 -0.03 0.16 -0.27 -0.04 2.39 2.21 1uzbB1 GLN 483 HE21 0.06 -0.03 -0.07 -0.04 6.97 6.89 1uzbB1 GLN 483 HE22 0.04 0.06 -0.09 -0.04 7.69 7.67 1uzbB1 PRO 484 HA -0.03 0.14 0.17 -0.51 4.44 4.21 1uzbB1 PRO 484 HB2 -0.03 0.06 -0.00 -0.04 2.28 2.26 1uzbB1 PRO 484 HB3 -0.00 -0.05 -0.11 -0.04 2.02 1.81 1uzbB1 PRO 484 HG2 -0.01 0.02 0.01 -0.04 2.03 2.00 1uzbB1 PRO 484 HG3 -0.03 0.01 -0.06 -0.04 2.03 1.92 1uzbB1 PRO 484 HD2 -0.05 0.11 0.11 -0.04 3.68 3.80 1uzbB1 PRO 484 HD3 -0.05 0.26 -0.37 -0.04 3.65 3.45 1uzbB1 PHE 485 H 0.09 0.43 0.15 -0.55 8.34 8.46 1uzbB1 PHE 485 HA -0.09 0.23 0.84 -0.75 4.62 4.84 1uzbB1 PHE 485 HB2 -0.08 0.12 -0.07 -0.04 3.15 3.08 1uzbB1 PHE 485 HB3 -0.06 -0.11 0.07 -0.04 3.06 2.92 1uzbB1 PHE 485 HD2 -0.05 0.05 -0.13 -0.04 7.28 7.11 1uzbB1 PHE 485 HE2 -0.05 -0.00 -0.11 -0.04 7.38 7.18 1uzbB1 PHE 485 HZ -0.06 -0.09 -0.18 -0.04 7.32 6.95 1uzbB1 GLY 486 H -0.68 0.32 0.05 -0.55 8.43 7.58 1uzbB1 GLY 486 HA2 -0.44 -0.06 0.32 -0.51 4.01 3.31 1uzbB1 GLY 486 HA3 -0.20 0.11 0.15 -0.51 4.01 3.55 1uzbB1 GLY 487 H -0.22 0.06 0.03 -0.55 8.43 7.75 1uzbB1 GLY 487 HA2 -0.55 0.24 1.06 -0.51 4.01 4.25 1uzbB1 GLY 487 HA3 -0.26 -0.05 0.29 -0.51 4.01 3.48 1uzbB1 PHE 488 H -0.17 0.53 0.21 -0.55 8.34 8.35 1uzbB1 PHE 488 HA -0.05 0.22 0.77 -0.75 4.62 4.81 1uzbB1 PHE 488 HB2 -0.19 0.09 -0.02 -0.04 3.15 2.99 1uzbB1 PHE 488 HB3 -0.07 -0.06 0.07 -0.04 3.06 2.96 1uzbB1 PHE 488 HD2 -0.55 0.10 -0.40 -0.04 7.28 6.39 1uzbB1 PHE 488 HE2 -0.18 0.04 -0.20 -0.04 7.38 7.00 1uzbB1 PHE 488 HZ -0.09 0.03 -0.11 -0.04 7.32 7.11 1uzbB1 LYS 489 H 0.17 0.14 0.12 -0.55 8.42 8.29 1uzbB1 LYS 489 HA 0.06 0.05 0.36 -0.75 4.32 4.04 1uzbB1 LYS 489 HB2 0.13 0.03 -0.39 -0.04 1.87 1.60 1uzbB1 LYS 489 HB3 0.05 0.11 0.24 -0.04 1.79 2.14 1uzbB1 LYS 489 HG2 0.10 -0.02 0.05 -0.04 1.46 1.55 1uzbB1 LYS 489 HG3 0.21 -0.11 0.00 -0.04 1.46 1.53 1uzbB1 LYS 489 HD2 0.29 -0.06 0.01 -0.04 1.69 1.89 1uzbB1 LYS 489 HD3 0.29 0.08 -0.12 -0.04 1.68 1.88 1uzbB1 LYS 489 HE2 0.09 -0.05 -0.22 -0.04 2.99 2.77 1uzbB1 LYS 489 HE3 0.07 -0.14 0.06 -0.04 2.99 2.95 1uzbB1 LEU 490 H -0.03 0.73 0.39 -0.55 8.37 8.91 1uzbB1 LEU 490 HA -0.03 0.11 0.57 -0.75 4.35 4.24 1uzbB1 LEU 490 HB2 -0.37 0.15 0.05 -0.04 1.64 1.43 1uzbB1 LEU 490 HB3 -0.20 -0.10 0.18 -0.04 1.64 1.48 1uzbB1 LEU 490 HG -0.09 0.07 0.12 -0.04 1.64 1.69 1uzbB1 LEU 490 HD13 -0.13 -0.03 0.04 -0.04 0.93 0.77 1uzbB1 LEU 490 HD23 -0.06 -0.00 -0.07 -0.04 0.89 0.72 1uzbB1 SER 491 H 0.10 0.52 -0.60 -0.55 8.46 7.93 1uzbB1 SER 491 HA 0.25 0.27 0.57 -0.75 4.49 4.83 1uzbB1 SER 491 HB2 0.04 0.31 -0.06 -0.04 3.95 4.20 1uzbB1 SER 491 HB3 -0.00 -0.15 0.06 -0.04 3.93 3.80 1uzbB1 GLY 492 H 0.04 0.48 -0.26 -0.55 8.43 8.14 1uzbB1 GLY 492 HA2 0.02 0.01 0.15 -0.51 4.01 3.68 1uzbB1 GLY 492 HA3 0.03 0.10 1.08 -0.51 4.01 4.71 1uzbB1 THR 493 H 0.05 0.47 0.33 -0.55 8.28 8.57 1uzbB1 THR 493 HA -0.00 0.22 0.72 -0.75 4.39 4.57 1uzbB1 THR 493 HB 0.08 0.08 0.21 -0.04 4.32 4.65 1uzbB1 THR 493 HG23 -0.05 0.05 0.06 -0.04 1.22 1.24 1uzbB1 ASN 494 H 0.03 0.01 -0.31 -0.55 8.53 7.72 1uzbB1 ASN 494 HA -0.00 -0.04 0.13 -0.75 4.76 4.10 1uzbB1 ASN 494 HB2 0.14 0.07 -0.18 -0.04 2.88 2.88 1uzbB1 ASN 494 HB3 0.09 0.13 0.13 -0.04 2.79 3.09 1uzbB1 ASN 494 HD21 0.02 0.01 -0.19 -0.04 7.03 6.83 1uzbB1 ASN 494 HD22 -0.04 0.19 -0.31 -0.04 7.74 7.54 1uzbB1 ALA 495 H 0.08 -0.01 -0.20 -0.55 8.40 7.72 1uzbB1 ALA 495 HA 0.10 0.16 0.49 -0.75 4.34 4.34 1uzbB1 ALA 495 HB3 0.18 0.00 0.01 -0.04 1.41 1.56 1uzbB1 LYS 496 H 0.10 0.27 -0.04 -0.55 8.42 8.20 1uzbB1 LYS 496 HA 0.01 0.27 0.17 -0.75 4.32 4.02 1uzbB1 LYS 496 HB2 0.08 -0.08 0.01 -0.04 1.87 1.84 1uzbB1 LYS 496 HB3 0.03 -0.06 -0.21 -0.04 1.79 1.51 1uzbB1 LYS 496 HG2 0.02 0.14 -0.20 -0.04 1.46 1.38 1uzbB1 LYS 496 HG3 0.01 -0.01 -0.14 -0.04 1.46 1.29 1uzbB1 LYS 496 HD2 -0.06 -0.11 -0.86 -0.04 1.69 0.62 1uzbB1 LYS 496 HD3 -0.11 -0.11 -0.68 -0.04 1.68 0.75 1uzbB1 LYS 496 HE2 -0.10 -0.03 -0.15 -0.04 2.99 2.68 1uzbB1 LYS 496 HE3 -0.06 -0.06 -0.12 -0.04 2.99 2.70 1uzbB1 THR 497 H 0.01 0.64 0.35 -0.55 8.28 8.72 1uzbB1 THR 497 HA -0.68 0.07 0.46 -0.75 4.39 3.48 1uzbB1 THR 497 HB -0.19 -0.08 0.04 -0.04 4.32 4.05 1uzbB1 THR 497 HG23 -0.22 0.07 0.03 -0.04 1.22 1.05 1uzbB1 GLY 498 H 0.15 0.17 0.13 -0.55 8.43 8.34 1uzbB1 GLY 498 HA2 -0.43 0.04 0.29 -0.51 4.01 3.40 1uzbB1 GLY 498 HA3 -0.27 -0.01 0.40 -0.51 4.01 3.62 1uzbB1 ALA 499 H 0.16 0.23 -0.13 -0.55 8.40 8.12 1uzbB1 ALA 499 HA 0.07 0.19 0.73 -0.75 4.34 4.57 1uzbB1 ALA 499 HB3 0.07 0.06 -0.14 -0.04 1.41 1.36 1uzbB1 LEU 500 H 0.25 0.23 0.11 -0.55 8.37 8.42 1uzbB1 LEU 500 HA 0.28 0.08 0.35 -0.75 4.35 4.31 1uzbB1 LEU 500 HB2 0.11 -0.02 0.10 -0.04 1.64 1.79 1uzbB1 LEU 500 HB3 0.09 0.10 0.01 -0.04 1.64 1.80 1uzbB1 LEU 500 HG 0.16 -0.04 0.10 -0.04 1.64 1.81 1uzbB1 LEU 500 HD13 0.02 0.02 0.03 -0.04 0.93 0.95 1uzbB1 LEU 500 HD23 -0.03 0.02 0.03 -0.04 0.89 0.87 1uzbB1 ASP 501 H 0.15 0.07 -0.23 -0.55 8.40 7.84 1uzbB1 ASP 501 HA 0.14 0.10 0.31 -0.75 4.63 4.42 1uzbB1 ASP 501 HB2 0.10 -0.02 -0.01 -0.04 2.71 2.74 1uzbB1 ASP 501 HB3 0.07 0.06 -0.04 -0.04 2.70 2.76 1uzbB1 TYR 502 H 0.27 0.34 -0.45 -0.55 8.29 7.89 1uzbB1 TYR 502 HA -0.03 0.02 0.26 -0.75 4.56 4.05 1uzbB1 TYR 502 HB2 0.10 0.25 0.12 -0.04 3.06 3.50 1uzbB1 TYR 502 HB3 -0.00 0.01 0.05 -0.04 2.98 2.99 1uzbB1 TYR 502 HD2 -0.39 -0.00 -0.32 -0.04 7.15 6.40 1uzbB1 TYR 502 HE2 -0.21 0.05 -0.15 -0.04 6.85 6.50 1uzbB1 LEU 503 H 0.07 0.29 -0.20 -0.55 8.37 7.98 1uzbB1 LEU 503 HA -0.16 0.06 0.27 -0.75 4.35 3.77 1uzbB1 LEU 503 HB2 -0.32 0.10 -0.03 -0.04 1.64 1.34 1uzbB1 LEU 503 HB3 -0.36 0.06 -0.04 -0.04 1.64 1.27 1uzbB1 LEU 503 HG 0.05 -0.05 -0.01 -0.04 1.64 1.59 1uzbB1 LEU 503 HD13 0.08 0.02 -0.15 -0.04 0.93 0.83 1uzbB1 LEU 503 HD23 -0.42 0.02 -0.09 -0.04 0.89 0.36 1uzbB1 ARG 504 H -0.19 0.21 -0.39 -0.55 8.46 7.53 1uzbB1 ARG 504 HA -0.55 0.06 0.29 -0.75 4.34 3.38 1uzbB1 ARG 504 HB2 -0.00 -0.05 0.04 -0.04 1.90 1.84 1uzbB1 ARG 504 HB3 -0.08 0.16 0.04 -0.04 1.80 1.87 1uzbB1 ARG 504 HG2 -0.01 -0.06 -0.05 -0.04 1.67 1.51 1uzbB1 ARG 504 HG3 -0.11 0.05 -0.15 -0.04 1.67 1.42 1uzbB1 ARG 504 HD2 -0.40 0.04 0.02 -0.04 3.22 2.84 1uzbB1 ARG 504 HD3 -0.13 -0.02 -0.04 -0.04 3.22 2.99 1uzbB1 LEU 505 H -0.36 0.33 -0.46 -0.55 8.37 7.34 1uzbB1 LEU 505 HA -0.29 0.05 0.39 -0.75 4.35 3.74 1uzbB1 LEU 505 HB2 -1.40 0.13 0.01 -0.04 1.64 0.34 1uzbB1 LEU 505 HB3 -0.83 -0.07 0.02 -0.04 1.64 0.72 1uzbB1 LEU 505 HG -0.26 0.13 0.06 -0.04 1.64 1.53 1uzbB1 LEU 505 HD13 -0.32 -0.04 -0.03 -0.04 0.93 0.50 1uzbB1 LEU 505 HD23 -0.07 -0.01 -0.04 -0.04 0.89 0.73 1uzbB1 PHE 506 H -0.37 0.45 -0.47 -0.55 8.34 7.39 1uzbB1 PHE 506 HA -0.39 0.14 0.76 -0.75 4.62 4.37 1uzbB1 PHE 506 HB2 -0.46 0.11 0.05 -0.04 3.15 2.81 1uzbB1 PHE 506 HB3 -0.57 -0.07 0.16 -0.04 3.06 2.53 1uzbB1 PHE 506 HD2 -1.01 -0.00 -0.09 -0.04 7.28 6.13 1uzbB1 PHE 506 HE2 -1.18 -0.02 -0.16 -0.04 7.38 5.98 1uzbB1 PHE 506 HZ -0.98 -0.09 -0.10 -0.04 7.32 6.11 1uzbB1 LEU 507 H -0.21 0.44 -0.34 -0.55 8.37 7.72 1uzbB1 LEU 507 HA -0.04 0.21 0.88 -0.75 4.35 4.65 1uzbB1 LEU 507 HB2 -0.29 -0.01 -0.01 -0.04 1.64 1.30 1uzbB1 LEU 507 HB3 -0.01 -0.02 0.00 -0.04 1.64 1.56 1uzbB1 LEU 507 HG -0.28 0.03 -0.42 -0.04 1.64 0.93 1uzbB1 LEU 507 HD13 -0.65 -0.05 -0.16 -0.04 0.93 0.02 1uzbB1 LEU 507 HD23 -0.03 0.01 -0.21 -0.04 0.89 0.62 1uzbB1 GLU 508 H 0.08 0.69 0.35 -0.55 8.60 9.17 1uzbB1 GLU 508 HA 0.05 0.13 0.80 -0.75 4.29 4.52 1uzbB1 GLU 508 HB2 0.03 -0.06 0.12 -0.04 2.09 2.14 1uzbB1 GLU 508 HB3 0.02 0.04 -0.04 -0.04 1.99 1.97 1uzbB1 GLU 508 HG2 0.06 0.17 -0.09 -0.04 2.34 2.45 1uzbB1 GLU 508 HG3 0.05 -0.06 -0.15 -0.04 2.34 2.15 1uzbB1 MET 509 H 0.04 0.14 0.17 -0.55 8.47 8.27 1uzbB1 MET 509 HA -0.07 0.34 1.18 -0.75 4.52 5.22 1uzbB1 MET 509 HB2 0.07 -0.00 -0.08 -0.04 2.15 2.09 1uzbB1 MET 509 HB3 -0.04 -0.05 0.03 -0.04 2.03 1.93 1uzbB1 MET 509 HG2 -0.26 0.08 -0.15 -0.04 2.63 2.25 1uzbB1 MET 509 HG3 -0.50 -0.01 -0.16 -0.04 2.56 1.85 1uzbB1 MET 509 HE3 -0.00 0.00 -0.09 -0.04 2.10 1.97 1uzbB1 LYS 510 H -0.43 0.71 0.40 -0.55 8.42 8.55 1uzbB1 LYS 510 HA -0.20 0.14 0.92 -0.75 4.32 4.42 1uzbB1 LYS 510 HB2 -0.28 0.06 -0.06 -0.04 1.87 1.55 1uzbB1 LYS 510 HB3 -1.12 -0.01 0.07 -0.04 1.79 0.68 1uzbB1 LYS 510 HG2 -0.23 -0.02 -0.21 -0.04 1.46 0.96 1uzbB1 LYS 510 HG3 -0.12 0.00 0.05 -0.04 1.46 1.35 1uzbB1 LYS 510 HD2 0.00 0.05 -0.05 -0.04 1.69 1.65 1uzbB1 LYS 510 HD3 0.08 -0.01 -0.08 -0.04 1.68 1.64 1uzbB1 LYS 510 HE2 0.06 -0.03 -0.06 -0.04 2.99 2.92 1uzbB1 LYS 510 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.96 1uzbB1 ALA 511 H -0.15 0.24 0.16 -0.55 8.40 8.10 1uzbB1 ALA 511 HA -0.14 0.21 0.95 -0.75 4.34 4.61 1uzbB1 ALA 511 HB3 -0.08 -0.01 -0.02 -0.04 1.41 1.27 1uzbB1 VAL 512 H 0.02 0.83 0.28 -0.55 8.24 8.82 1uzbB1 VAL 512 HA 0.01 0.14 1.04 -0.75 4.13 4.56 1uzbB1 VAL 512 HB 0.20 0.01 0.12 -0.04 2.12 2.42 1uzbB1 VAL 512 HG13 0.07 -0.01 -0.13 -0.04 0.97 0.87 1uzbB1 VAL 512 HG23 0.14 0.01 -0.20 -0.04 0.95 0.86 1uzbB1 ALA 513 H -0.02 0.20 0.19 -0.55 8.40 8.22 1uzbB1 ALA 513 HA -0.03 0.41 1.19 -0.75 4.34 5.16 1uzbB1 ALA 513 HB3 -0.06 -0.01 -0.00 -0.04 1.41 1.29 1uzbB1 GLU 514 H -0.14 0.60 0.34 -0.55 8.60 8.85 1uzbB1 GLU 514 HA -0.15 0.19 0.98 -0.75 4.29 4.55 1uzbB1 GLU 514 HB2 -0.12 0.05 -0.03 -0.04 2.09 1.95 1uzbB1 GLU 514 HB3 -0.35 -0.06 0.13 -0.04 1.99 1.67 1uzbB1 GLU 514 HG2 -0.76 -0.06 -0.52 -0.04 2.34 0.97 1uzbB1 GLU 514 HG3 -0.19 0.04 -0.03 -0.04 2.34 2.11 1uzbB1 ARG 515 H -0.17 0.20 0.11 -0.55 8.46 8.05 1uzbB1 ARG 515 HA -0.17 0.21 0.85 -0.75 4.34 4.47 1uzbB1 ARG 515 HB2 -0.06 -0.00 0.05 -0.04 1.90 1.86 1uzbB1 ARG 515 HB3 -0.06 -0.01 0.19 -0.04 1.80 1.88 1uzbB1 ARG 515 HG2 0.01 -0.03 -0.01 -0.04 1.67 1.60 1uzbB1 ARG 515 HG3 0.01 -0.05 -0.15 -0.04 1.67 1.44 1uzbB1 ARG 515 HD2 0.07 -0.04 -0.02 -0.04 3.22 3.19 1uzbB1 ARG 515 HD3 0.04 0.20 -0.01 -0.04 3.22 3.41 1uzbB1 PHE 516 H -0.13 0.53 0.22 -0.55 8.34 8.41 1uzbB1 PHE 516 HA 0.02 0.13 0.34 -0.75 4.62 4.35 1uzbB1 PHE 516 HB2 0.02 0.04 0.10 -0.04 3.15 3.26 1uzbB1 PHE 516 HB3 0.01 -0.02 0.06 -0.04 3.06 3.07 1uzbB1 PHE 516 HD2 0.02 0.00 -0.15 -0.04 7.28 7.11 1uzbB1 PHE 516 HE2 0.02 0.01 -0.16 -0.04 7.38 7.21 1uzbB1 PHE 516 HZ 0.02 0.00 -0.03 -0.04 7.32 7.27