============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 9 1.000 23.155 -17.114 72.780 -99.200 -91.000 HIS 36 0.900 24.710 6.637 47.270 -99.200 -91.000 TYR 47 0.840 30.032 17.107 53.988 -99.200 -91.000 PHE 60 1.000 33.787 26.701 71.402 -99.200 -91.000 PHE 70 1.000 19.198 17.906 75.741 -99.200 -91.000 TRP 85 1.040 43.643 24.352 77.537 -99.200 -91.000 TRP6 85 1.020 41.767 25.252 78.645 -99.200 -91.000 HIS 91 0.900 28.172 17.786 85.250 -99.200 -91.000 TYR 94 0.840 17.896 19.621 81.517 -99.200 -91.000 PHE 109 1.000 15.268 18.331 67.678 -99.200 -91.000 TYR 111 0.840 11.653 17.735 78.219 -99.200 -91.000 PHE 119 1.000 23.923 24.272 81.323 -99.200 -91.000 HIS 123 0.900 24.389 25.342 85.374 -99.200 -91.000 HIS 127 0.900 24.449 36.973 80.686 -99.200 -91.000 PHE 134 1.000 21.497 17.854 68.698 -99.200 -91.000 PHE 136 1.000 19.756 13.444 65.904 -99.200 -91.000 PHE 138 1.000 18.814 9.073 68.010 -99.200 -91.000 HIS 142 0.900 26.371 15.350 59.149 -99.200 -91.000 TRP 153 1.040 13.242 9.425 65.464 -99.200 -91.000 TRP6 153 1.020 14.769 10.931 66.515 -99.200 -91.000 PHE 157 1.000 15.543 8.999 71.274 -99.200 -91.000 PHE 181 1.000 17.925 28.912 74.656 -99.200 -91.000 TYR 200 0.840 44.118 14.040 65.975 -99.200 -91.000 TYR 201 0.840 45.839 18.438 74.360 -99.200 -91.000 HIS 204 0.900 48.382 15.004 67.926 -99.200 -91.000 TYR 220 0.840 36.539 4.247 58.145 -99.200 -91.000 TRP 243 1.040 29.442 -1.226 64.110 -99.200 -91.000 TRP6 243 1.020 31.777 -1.472 64.314 -99.200 -91.000 PHE 246 1.000 27.632 -7.072 58.532 -99.200 -91.000 PHE 255 1.000 27.457 -15.890 61.210 -99.200 -91.000 TYR 259 0.840 17.715 -18.046 72.298 -99.200 -91.000 TYR 275 0.840 27.870 -5.835 63.982 -99.200 -91.000 TYR 283 0.840 18.219 -3.405 70.579 -99.200 -91.000 PHE 302 1.000 14.833 -19.003 87.243 -99.200 -91.000 HIS 303 0.900 13.307 -27.207 90.719 -99.200 -91.000 PHE 316 1.000 18.457 -11.008 83.545 -99.200 -91.000 PHE 320 1.000 18.262 -6.473 86.789 -99.200 -91.000 TYR 335 0.840 18.318 -15.701 96.753 -99.200 -91.000 HIS 366 0.900 34.445 -14.196 71.248 -99.200 -91.000 TYR 399 0.840 35.809 -0.874 75.596 -99.200 -91.000 HIS 402 0.900 29.479 -8.003 80.668 -99.200 -91.000 PHE 405 1.000 31.665 -5.984 74.917 -99.200 -91.000 PHE 409 1.000 36.063 -4.822 70.942 -99.200 -91.000 HIS 410 0.900 40.554 -4.087 75.186 -99.200 -91.000 PHE 424 1.000 41.085 -1.571 71.610 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1vX1 MET 15 HA 0.00 -0.03 0.23 -0.75 4.52 3.97 3h1vX1 MET 15 HB2 0.01 0.10 0.05 -0.04 2.15 2.27 3h1vX1 MET 15 HB3 0.01 0.04 0.06 -0.04 2.03 2.10 3h1vX1 MET 15 HG2 0.01 -0.01 -0.11 -0.04 2.63 2.48 3h1vX1 MET 15 HG3 0.00 -0.36 -0.18 -0.04 2.56 1.97 3h1vX1 MET 15 HE3 0.01 0.03 -0.02 -0.04 2.10 2.07 3h1vX1 VAL 16 H -0.01 0.17 0.14 -0.55 8.24 7.99 3h1vX1 VAL 16 HA -0.00 0.15 0.39 -0.75 4.13 3.91 3h1vX1 VAL 16 HB -0.04 0.03 0.08 -0.04 2.12 2.14 3h1vX1 VAL 16 HG13 -0.04 0.02 0.09 -0.04 0.97 1.01 3h1vX1 VAL 16 HG23 -0.03 -0.02 -0.08 -0.04 0.95 0.79 3h1vX1 GLU 17 H -0.00 0.11 -0.14 -0.55 8.60 8.03 3h1vX1 GLU 17 HA 0.00 0.07 0.22 -0.75 4.29 3.83 3h1vX1 GLU 17 HB2 0.01 0.02 -0.05 -0.04 2.09 2.02 3h1vX1 GLU 17 HB3 0.01 0.06 -0.05 -0.04 1.99 1.97 3h1vX1 GLU 17 HG2 -0.00 0.03 0.02 -0.04 2.34 2.34 3h1vX1 GLU 17 HG3 -0.00 -0.07 0.05 -0.04 2.34 2.27 3h1vX1 GLN 18 H 0.02 0.20 -0.56 -0.55 8.47 7.58 3h1vX1 GLN 18 HA 0.03 0.07 0.51 -0.75 4.36 4.21 3h1vX1 GLN 18 HB2 0.02 -0.09 0.04 -0.04 2.15 2.08 3h1vX1 GLN 18 HB3 0.02 0.30 0.04 -0.04 2.02 2.34 3h1vX1 GLN 18 HG2 0.02 0.03 -0.10 -0.04 2.40 2.31 3h1vX1 GLN 18 HG3 0.02 -0.04 0.03 -0.04 2.39 2.36 3h1vX1 GLN 18 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 3h1vX1 GLN 18 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 3h1vX1 ILE 19 H 0.04 0.37 -0.09 -0.55 8.25 8.02 3h1vX1 ILE 19 HA 0.09 0.10 0.61 -0.75 4.18 4.22 3h1vX1 ILE 19 HB 0.05 0.06 0.20 -0.04 1.89 2.17 3h1vX1 ILE 19 HG12 0.07 -0.03 -0.00 -0.04 1.49 1.49 3h1vX1 ILE 19 HG13 0.04 0.05 -0.02 -0.04 1.21 1.25 3h1vX1 ILE 19 HG23 0.16 -0.02 -0.07 -0.04 0.93 0.96 3h1vX1 ILE 19 HD13 0.04 -0.01 -0.08 -0.04 0.88 0.79 3h1vX1 LEU 20 H 0.06 0.43 -0.09 -0.55 8.37 8.22 3h1vX1 LEU 20 HA 0.18 0.06 0.29 -0.75 4.35 4.13 3h1vX1 LEU 20 HB2 0.01 0.02 0.01 -0.04 1.64 1.64 3h1vX1 LEU 20 HB3 -0.02 -0.01 -0.04 -0.04 1.64 1.53 3h1vX1 LEU 20 HG -0.01 0.18 -0.02 -0.04 1.64 1.74 3h1vX1 LEU 20 HD13 -0.07 0.00 -0.21 -0.04 0.93 0.61 3h1vX1 LEU 20 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.63 3h1vX1 ALA 21 H 0.07 0.36 -0.33 -0.55 8.40 7.96 3h1vX1 ALA 21 HA 0.08 -0.01 0.45 -0.75 4.34 4.10 3h1vX1 ALA 21 HB3 0.05 0.05 0.11 -0.04 1.41 1.58 3h1vX1 GLU 22 H 0.12 0.32 -0.54 -0.55 8.60 7.95 3h1vX1 GLU 22 HA 0.03 0.04 0.43 -0.75 4.29 4.04 3h1vX1 GLU 22 HB2 0.09 0.31 0.12 -0.04 2.09 2.57 3h1vX1 GLU 22 HB3 -0.08 -0.07 -0.00 -0.04 1.99 1.79 3h1vX1 GLU 22 HG2 0.00 -0.02 0.08 -0.04 2.34 2.36 3h1vX1 GLU 22 HG3 0.04 0.10 0.09 -0.04 2.34 2.53 3h1vX1 PHE 23 H 0.32 0.42 -0.39 -0.55 8.34 8.14 3h1vX1 PHE 23 HA 0.05 0.11 0.69 -0.75 4.62 4.71 3h1vX1 PHE 23 HB2 -0.02 0.16 0.06 -0.04 3.15 3.32 3h1vX1 PHE 23 HB3 -0.02 0.03 0.04 -0.04 3.06 3.07 3h1vX1 PHE 23 HD2 -0.02 0.09 0.04 -0.04 7.28 7.36 3h1vX1 PHE 23 HE2 -0.16 -0.02 -0.04 -0.04 7.38 7.12 3h1vX1 PHE 23 HZ -0.51 -0.07 -0.06 -0.04 7.32 6.65 3h1vX1 GLN 24 H 0.12 0.41 -0.20 -0.55 8.47 8.26 3h1vX1 GLN 24 HA 0.10 0.01 0.42 -0.75 4.36 4.13 3h1vX1 GLN 24 HB2 0.07 0.09 0.06 -0.04 2.15 2.32 3h1vX1 GLN 24 HB3 0.07 -0.09 -0.02 -0.04 2.02 1.94 3h1vX1 GLN 24 HG2 0.06 -0.04 0.01 -0.04 2.40 2.38 3h1vX1 GLN 24 HG3 0.08 0.04 0.11 -0.04 2.39 2.58 3h1vX1 GLN 24 HE21 0.03 -0.03 0.02 -0.04 6.97 6.95 3h1vX1 GLN 24 HE22 0.04 -0.02 0.03 -0.04 7.69 7.70 3h1vX1 LEU 25 H 0.11 0.20 0.13 -0.55 8.37 8.27 3h1vX1 LEU 25 HA 0.07 0.15 0.81 -0.75 4.35 4.63 3h1vX1 LEU 25 HB2 0.09 -0.04 0.06 -0.04 1.64 1.71 3h1vX1 LEU 25 HB3 -0.01 -0.07 -0.05 -0.04 1.64 1.46 3h1vX1 LEU 25 HG 0.06 0.19 -0.38 -0.04 1.64 1.46 3h1vX1 LEU 25 HD13 -0.03 -0.03 -0.07 -0.04 0.93 0.77 3h1vX1 LEU 25 HD23 -0.02 0.03 -0.00 -0.04 0.89 0.85 3h1vX1 GLN 26 H 0.06 0.15 0.09 -0.55 8.47 8.22 3h1vX1 GLN 26 HA 0.02 0.20 0.63 -0.75 4.36 4.46 3h1vX1 GLN 26 HB2 0.04 -0.11 0.08 -0.04 2.15 2.11 3h1vX1 GLN 26 HB3 0.02 -0.01 0.12 -0.04 2.02 2.10 3h1vX1 GLN 26 HG2 0.05 0.07 0.01 -0.04 2.40 2.48 3h1vX1 GLN 26 HG3 0.03 0.05 0.02 -0.04 2.39 2.45 3h1vX1 GLN 26 HE21 0.04 0.03 -0.09 -0.04 6.97 6.91 3h1vX1 GLN 26 HE22 0.04 0.07 -0.09 -0.04 7.69 7.67 3h1vX1 GLU 27 H -0.01 0.22 0.17 -0.55 8.60 8.42 3h1vX1 GLU 27 HA -0.06 0.12 0.22 -0.75 4.29 3.82 3h1vX1 GLU 27 HB2 -0.02 -0.02 0.15 -0.04 2.09 2.16 3h1vX1 GLU 27 HB3 -0.03 0.05 -0.06 -0.04 1.99 1.91 3h1vX1 GLU 27 HG2 -0.08 0.02 0.05 -0.04 2.34 2.29 3h1vX1 GLU 27 HG3 -0.05 0.01 0.06 -0.04 2.34 2.32 3h1vX1 GLU 28 H 0.01 0.02 -0.42 -0.55 8.60 7.67 3h1vX1 GLU 28 HA 0.01 0.13 0.40 -0.75 4.29 4.08 3h1vX1 GLU 28 HB2 0.01 -0.00 0.04 -0.04 2.09 2.10 3h1vX1 GLU 28 HB3 0.03 0.02 -0.09 -0.04 1.99 1.91 3h1vX1 GLU 28 HG2 0.02 0.04 -0.02 -0.04 2.34 2.33 3h1vX1 GLU 28 HG3 0.03 0.01 -0.03 -0.04 2.34 2.30 3h1vX1 ASP 29 H 0.04 0.05 -0.12 -0.55 8.40 7.82 3h1vX1 ASP 29 HA 0.17 0.09 0.62 -0.75 4.63 4.75 3h1vX1 ASP 29 HB2 0.03 0.13 0.12 -0.04 2.71 2.94 3h1vX1 ASP 29 HB3 0.04 0.07 0.02 -0.04 2.70 2.79 3h1vX1 LEU 30 H -0.04 0.45 -0.23 -0.55 8.37 8.01 3h1vX1 LEU 30 HA -0.11 0.01 0.37 -0.75 4.35 3.88 3h1vX1 LEU 30 HB2 -0.08 0.14 0.03 -0.04 1.64 1.70 3h1vX1 LEU 30 HB3 -0.09 0.01 -0.07 -0.04 1.64 1.45 3h1vX1 LEU 30 HG -0.07 0.07 -0.19 -0.04 1.64 1.41 3h1vX1 LEU 30 HD13 -0.22 0.00 -0.10 -0.04 0.93 0.58 3h1vX1 LEU 30 HD23 -0.07 0.01 -0.19 -0.04 0.89 0.60 3h1vX1 LYS 31 H -0.02 0.48 -0.07 -0.55 8.42 8.25 3h1vX1 LYS 31 HA -0.03 0.08 0.59 -0.75 4.32 4.21 3h1vX1 LYS 31 HB2 -0.00 -0.00 0.15 -0.04 1.87 1.98 3h1vX1 LYS 31 HB3 -0.01 -0.00 0.05 -0.04 1.79 1.79 3h1vX1 LYS 31 HG2 -0.03 -0.01 0.04 -0.04 1.46 1.41 3h1vX1 LYS 31 HG3 -0.02 0.16 0.05 -0.04 1.46 1.60 3h1vX1 LYS 31 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 3h1vX1 LYS 31 HD3 -0.02 0.05 0.02 -0.04 1.68 1.69 3h1vX1 LYS 31 HE2 -0.02 0.04 -0.01 -0.04 2.99 2.96 3h1vX1 LYS 31 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.91 3h1vX1 LYS 32 H 0.03 0.50 -0.15 -0.55 8.42 8.24 3h1vX1 LYS 32 HA 0.05 0.01 0.54 -0.75 4.32 4.16 3h1vX1 LYS 32 HB2 0.09 0.08 0.19 -0.04 1.87 2.19 3h1vX1 LYS 32 HB3 0.17 0.14 0.19 -0.04 1.79 2.25 3h1vX1 LYS 32 HG2 0.18 -0.02 -0.16 -0.04 1.46 1.42 3h1vX1 LYS 32 HG3 0.09 -0.03 0.05 -0.04 1.46 1.53 3h1vX1 LYS 32 HD2 0.14 0.01 0.02 -0.04 1.69 1.83 3h1vX1 LYS 32 HD3 0.22 -0.01 -0.02 -0.04 1.68 1.83 3h1vX1 LYS 32 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.98 3h1vX1 LYS 32 HE3 0.04 0.00 0.00 -0.04 2.99 2.99 3h1vX1 VAL 33 H -0.02 0.61 -0.06 -0.55 8.24 8.22 3h1vX1 VAL 33 HA 0.13 0.00 0.46 -0.75 4.13 3.96 3h1vX1 VAL 33 HB -0.11 0.08 0.13 -0.04 2.12 2.18 3h1vX1 VAL 33 HG13 0.06 -0.02 -0.16 -0.04 0.97 0.81 3h1vX1 VAL 33 HG23 -0.36 0.02 0.00 -0.04 0.95 0.57 3h1vX1 MET 34 H -0.05 0.68 -0.13 -0.55 8.47 8.42 3h1vX1 MET 34 HA -0.14 0.04 0.29 -0.75 4.52 3.96 3h1vX1 MET 34 HB2 -0.07 0.01 0.20 -0.04 2.15 2.24 3h1vX1 MET 34 HB3 -0.05 0.10 0.24 -0.04 2.03 2.29 3h1vX1 MET 34 HG2 -0.06 -0.05 -0.32 -0.04 2.63 2.17 3h1vX1 MET 34 HG3 -0.07 -0.02 -0.04 -0.04 2.56 2.39 3h1vX1 MET 34 HE3 -0.03 -0.00 0.02 -0.04 2.10 2.04 3h1vX1 ARG 35 H -0.02 0.65 -0.09 -0.55 8.46 8.44 3h1vX1 ARG 35 HA -0.03 0.03 0.56 -0.75 4.34 4.14 3h1vX1 ARG 35 HB2 0.01 0.09 0.16 -0.04 1.90 2.12 3h1vX1 ARG 35 HB3 0.00 -0.06 0.02 -0.04 1.80 1.72 3h1vX1 ARG 35 HG2 -0.01 -0.02 0.04 -0.04 1.67 1.63 3h1vX1 ARG 35 HG3 -0.01 0.10 0.06 -0.04 1.67 1.77 3h1vX1 ARG 35 HD2 -0.00 -0.02 -0.01 -0.04 3.22 3.15 3h1vX1 ARG 35 HD3 -0.00 -0.01 -0.03 -0.04 3.22 3.14 3h1vX1 ARG 36 H 0.04 0.60 -0.11 -0.55 8.46 8.44 3h1vX1 ARG 36 HA 0.07 0.03 0.54 -0.75 4.34 4.22 3h1vX1 ARG 36 HB2 0.30 0.13 0.20 -0.04 1.90 2.49 3h1vX1 ARG 36 HB3 0.32 -0.14 0.06 -0.04 1.80 2.00 3h1vX1 ARG 36 HG2 0.10 -0.07 0.06 -0.04 1.67 1.73 3h1vX1 ARG 36 HG3 0.12 0.28 0.13 -0.04 1.67 2.16 3h1vX1 ARG 36 HD2 0.22 0.04 0.04 -0.04 3.22 3.48 3h1vX1 ARG 36 HD3 0.14 -0.11 0.09 -0.04 3.22 3.30 3h1vX1 MET 37 H -0.24 0.68 -0.08 -0.55 8.47 8.28 3h1vX1 MET 37 HA -0.96 -0.09 0.46 -0.75 4.52 3.17 3h1vX1 MET 37 HB2 -1.01 -0.03 0.05 -0.04 2.15 1.12 3h1vX1 MET 37 HB3 -0.38 0.27 0.13 -0.04 2.03 2.01 3h1vX1 MET 37 HG2 -0.31 0.08 0.02 -0.04 2.63 2.37 3h1vX1 MET 37 HG3 -0.25 -0.01 -0.26 -0.04 2.56 2.00 3h1vX1 MET 37 HE3 -1.20 0.01 -0.03 -0.04 2.10 0.84 3h1vX1 GLN 38 H -0.13 0.57 -0.15 -0.55 8.47 8.21 3h1vX1 GLN 38 HA -0.08 0.01 0.45 -0.75 4.36 3.98 3h1vX1 GLN 38 HB2 -0.05 0.13 0.21 -0.04 2.15 2.41 3h1vX1 GLN 38 HB3 -0.04 -0.03 0.05 -0.04 2.02 1.96 3h1vX1 GLN 38 HG2 -0.07 0.05 0.08 -0.04 2.40 2.41 3h1vX1 GLN 38 HG3 -0.09 0.15 0.15 -0.04 2.39 2.56 3h1vX1 GLN 38 HE21 -0.04 -0.01 -0.06 -0.04 6.97 6.83 3h1vX1 GLN 38 HE22 -0.05 0.19 0.12 -0.04 7.69 7.91 3h1vX1 LYS 39 H -0.04 0.41 -0.31 -0.55 8.42 7.93 3h1vX1 LYS 39 HA 0.00 0.05 0.40 -0.75 4.32 4.01 3h1vX1 LYS 39 HB2 0.01 0.04 0.13 -0.04 1.87 2.02 3h1vX1 LYS 39 HB3 0.03 0.13 0.23 -0.04 1.79 2.14 3h1vX1 LYS 39 HG2 0.04 -0.04 -0.16 -0.04 1.46 1.27 3h1vX1 LYS 39 HG3 0.02 -0.04 0.07 -0.04 1.46 1.47 3h1vX1 LYS 39 HD2 0.02 0.01 0.01 -0.04 1.69 1.70 3h1vX1 LYS 39 HD3 0.04 -0.00 0.02 -0.04 1.68 1.69 3h1vX1 LYS 39 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 3h1vX1 LYS 39 HE3 0.03 -0.00 -0.00 -0.04 2.99 2.97 3h1vX1 GLU 40 H -0.02 0.46 -0.09 -0.55 8.60 8.41 3h1vX1 GLU 40 HA 0.06 0.06 0.62 -0.75 4.29 4.27 3h1vX1 GLU 40 HB2 -0.02 0.09 0.16 -0.04 2.09 2.28 3h1vX1 GLU 40 HB3 0.12 -0.19 0.08 -0.04 1.99 1.96 3h1vX1 GLU 40 HG2 0.25 0.30 0.09 -0.04 2.34 2.93 3h1vX1 GLU 40 HG3 0.41 -0.20 0.06 -0.04 2.34 2.56 3h1vX1 MET 41 H -0.04 0.57 -0.16 -0.55 8.47 8.29 3h1vX1 MET 41 HA 0.05 0.03 0.47 -0.75 4.52 4.31 3h1vX1 MET 41 HB2 -0.03 0.16 0.13 -0.04 2.15 2.37 3h1vX1 MET 41 HB3 0.02 -0.01 -0.07 -0.04 2.03 1.93 3h1vX1 MET 41 HG2 0.06 -0.10 -0.02 -0.04 2.63 2.53 3h1vX1 MET 41 HG3 -0.02 -0.01 0.00 -0.04 2.56 2.49 3h1vX1 MET 41 HE3 -0.27 0.01 -0.08 -0.04 2.10 1.72 3h1vX1 ASP 42 H 0.01 0.39 -0.28 -0.55 8.40 7.96 3h1vX1 ASP 42 HA 0.03 0.06 0.51 -0.75 4.63 4.48 3h1vX1 ASP 42 HB2 0.01 0.06 0.12 -0.04 2.71 2.85 3h1vX1 ASP 42 HB3 0.02 0.08 0.17 -0.04 2.70 2.93 3h1vX1 ARG 43 H 0.03 0.42 -0.10 -0.55 8.46 8.25 3h1vX1 ARG 43 HA 0.04 -0.02 0.40 -0.75 4.34 4.01 3h1vX1 ARG 43 HB2 0.05 0.02 0.19 -0.04 1.90 2.13 3h1vX1 ARG 43 HB3 0.05 -0.01 -0.00 -0.04 1.80 1.79 3h1vX1 ARG 43 HG2 0.03 -0.05 0.03 -0.04 1.67 1.65 3h1vX1 ARG 43 HG3 0.03 0.17 0.13 -0.04 1.67 1.96 3h1vX1 ARG 43 HD2 0.03 -0.02 -0.00 -0.04 3.22 3.18 3h1vX1 ARG 43 HD3 0.05 -0.01 -0.06 -0.04 3.22 3.16 3h1vX1 GLY 44 H 0.06 0.39 -0.28 -0.55 8.43 8.05 3h1vX1 GLY 44 HA2 0.09 -0.00 0.34 -0.51 4.01 3.92 3h1vX1 GLY 44 HA3 0.08 0.24 0.24 -0.51 4.01 4.06 3h1vX1 LEU 45 H 0.06 0.28 -0.35 -0.55 8.37 7.81 3h1vX1 LEU 45 HA 0.03 0.11 0.63 -0.75 4.35 4.37 3h1vX1 LEU 45 HB2 0.04 0.09 0.18 -0.04 1.64 1.90 3h1vX1 LEU 45 HB3 0.02 0.12 0.15 -0.04 1.64 1.89 3h1vX1 LEU 45 HG 0.07 0.11 0.03 -0.04 1.64 1.81 3h1vX1 LEU 45 HD13 0.08 -0.03 -0.04 -0.04 0.93 0.90 3h1vX1 LEU 45 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 3h1vX1 ARG 46 H 0.05 0.32 -0.29 -0.55 8.46 7.99 3h1vX1 ARG 46 HA 0.01 0.08 0.54 -0.75 4.34 4.21 3h1vX1 ARG 46 HB2 0.05 0.22 0.14 -0.04 1.90 2.27 3h1vX1 ARG 46 HB3 0.04 -0.26 -0.11 -0.04 1.80 1.43 3h1vX1 ARG 46 HG2 0.03 -0.01 -0.02 -0.04 1.67 1.62 3h1vX1 ARG 46 HG3 0.02 -0.08 0.03 -0.04 1.67 1.60 3h1vX1 ARG 46 HD2 0.01 -0.00 0.01 -0.04 3.22 3.20 3h1vX1 ARG 46 HD3 0.02 0.07 -0.05 -0.04 3.22 3.22 3h1vX1 LEU 47 H -0.01 0.17 0.19 -0.55 8.37 8.18 3h1vX1 LEU 47 HA -0.15 0.13 0.22 -0.75 4.35 3.79 3h1vX1 LEU 47 HB2 -0.06 0.11 0.13 -0.04 1.64 1.78 3h1vX1 LEU 47 HB3 -0.01 -0.07 0.15 -0.04 1.64 1.68 3h1vX1 LEU 47 HG 0.01 -0.03 -0.08 -0.04 1.64 1.50 3h1vX1 LEU 47 HD13 -0.21 0.03 0.02 -0.04 0.93 0.73 3h1vX1 LEU 47 HD23 -0.02 0.00 0.01 -0.04 0.89 0.85 3h1vX1 GLU 48 H 0.04 0.05 -0.08 -0.55 8.60 8.07 3h1vX1 GLU 48 HA 0.07 0.08 0.28 -0.75 4.29 3.97 3h1vX1 GLU 48 HB2 0.03 0.02 0.09 -0.04 2.09 2.19 3h1vX1 GLU 48 HB3 0.03 -0.01 0.10 -0.04 1.99 2.07 3h1vX1 GLU 48 HG2 0.04 0.04 -0.08 -0.04 2.34 2.29 3h1vX1 GLU 48 HG3 0.03 0.02 -0.03 -0.04 2.34 2.32 3h1vX1 THR 49 H 0.10 0.31 -0.42 -0.55 8.28 7.72 3h1vX1 THR 49 HA 0.04 0.17 1.09 -0.75 4.39 4.93 3h1vX1 THR 49 HB 0.04 -0.10 0.08 -0.04 4.32 4.30 3h1vX1 THR 49 HG23 0.03 -0.03 -0.15 -0.04 1.22 1.03 3h1vX1 HIS 50 H 0.33 0.38 0.05 -0.55 8.41 8.62 3h1vX1 HIS 50 HA 0.03 0.08 0.30 -0.75 4.63 4.28 3h1vX1 HIS 50 HB2 0.02 0.15 0.13 -0.04 3.26 3.53 3h1vX1 HIS 50 HB3 0.02 0.12 -0.07 -0.04 3.20 3.22 3h1vX1 HIS 50 HD2 0.02 -0.01 -0.09 -0.04 6.97 6.85 3h1vX1 HIS 50 HE1 0.01 -0.05 0.02 -0.04 7.75 7.69 3h1vX1 GLU 51 H -0.36 0.07 -0.44 -0.55 8.60 7.32 3h1vX1 GLU 51 HA -0.37 0.14 0.43 -0.75 4.29 3.72 3h1vX1 GLU 51 HB2 -0.66 0.02 0.02 -0.04 2.09 1.43 3h1vX1 GLU 51 HB3 -0.23 -0.00 -0.01 -0.04 1.99 1.71 3h1vX1 GLU 51 HG2 -0.10 0.00 -0.15 -0.04 2.34 2.06 3h1vX1 GLU 51 HG3 -0.13 -0.00 0.04 -0.04 2.34 2.20 3h1vX1 GLU 52 H -0.08 0.15 -0.16 -0.55 8.60 7.96 3h1vX1 GLU 52 HA -0.03 0.15 0.71 -0.75 4.29 4.37 3h1vX1 GLU 52 HB2 -0.00 -0.04 0.09 -0.04 2.09 2.09 3h1vX1 GLU 52 HB3 -0.02 -0.03 0.04 -0.04 1.99 1.94 3h1vX1 GLU 52 HG2 -0.00 0.16 0.08 -0.04 2.34 2.54 3h1vX1 GLU 52 HG3 0.01 -0.06 -0.27 -0.04 2.34 1.98 3h1vX1 ALA 53 H -0.01 0.26 -0.40 -0.55 8.40 7.69 3h1vX1 ALA 53 HA 0.04 -0.11 0.30 -0.75 4.34 3.82 3h1vX1 ALA 53 HB3 0.05 0.11 -0.16 -0.04 1.41 1.37 3h1vX1 SER 54 H 0.07 0.05 0.15 -0.55 8.46 8.18 3h1vX1 SER 54 HA 0.06 0.17 0.39 -0.75 4.49 4.36 3h1vX1 SER 54 HB2 0.08 0.06 0.08 -0.04 3.95 4.13 3h1vX1 SER 54 HB3 0.05 0.06 0.10 -0.04 3.93 4.10 3h1vX1 VAL 55 H 0.12 0.06 -0.08 -0.55 8.24 7.79 3h1vX1 VAL 55 HA 0.14 0.10 0.82 -0.75 4.13 4.44 3h1vX1 VAL 55 HB 0.08 0.13 -0.15 -0.04 2.12 2.14 3h1vX1 VAL 55 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.87 3h1vX1 VAL 55 HG23 0.14 -0.04 -0.06 -0.04 0.95 0.95 3h1vX1 LYS 56 H 0.10 0.11 0.08 -0.55 8.42 8.14 3h1vX1 LYS 56 HA 0.07 0.23 -0.04 -0.75 4.32 3.82 3h1vX1 LYS 56 HB2 0.07 -0.16 0.04 -0.04 1.87 1.78 3h1vX1 LYS 56 HB3 0.07 0.01 -0.10 -0.04 1.79 1.73 3h1vX1 LYS 56 HG2 0.05 0.21 -0.03 -0.04 1.46 1.64 3h1vX1 LYS 56 HG3 0.07 0.05 -0.06 -0.04 1.46 1.47 3h1vX1 LYS 56 HD2 0.05 -0.03 -0.04 -0.04 1.69 1.63 3h1vX1 LYS 56 HD3 0.05 0.04 -0.01 -0.04 1.68 1.71 3h1vX1 LYS 56 HE2 0.07 -0.05 0.02 -0.04 2.99 2.99 3h1vX1 LYS 56 HE3 0.06 -0.11 -0.01 -0.04 2.99 2.89 3h1vX1 MET 57 H 0.07 0.17 -0.05 -0.55 8.47 8.12 3h1vX1 MET 57 HA 0.06 -0.17 0.09 -0.75 4.52 3.74 3h1vX1 MET 57 HB2 0.06 0.28 -0.45 -0.04 2.15 2.01 3h1vX1 MET 57 HB3 0.06 -0.06 -0.08 -0.04 2.03 1.91 3h1vX1 MET 57 HG2 0.08 0.24 -0.26 -0.04 2.63 2.65 3h1vX1 MET 57 HG3 0.08 0.20 -0.01 -0.04 2.56 2.78 3h1vX1 MET 57 HE3 0.21 0.04 -0.07 -0.04 2.10 2.24 3h1vX1 LEU 58 H 0.03 0.51 0.11 -0.55 8.37 8.46 3h1vX1 LEU 58 HA 0.05 0.25 0.20 -0.75 4.35 4.09 3h1vX1 LEU 58 HB2 0.05 -0.22 0.20 -0.04 1.64 1.63 3h1vX1 LEU 58 HB3 0.11 0.18 0.13 -0.04 1.64 2.01 3h1vX1 LEU 58 HG 0.06 -0.07 -0.21 -0.04 1.64 1.39 3h1vX1 LEU 58 HD13 0.07 -0.04 -0.10 -0.04 0.93 0.82 3h1vX1 LEU 58 HD23 0.08 0.05 -0.09 -0.04 0.89 0.88 3h1vX1 PRO 59 HA -0.17 0.07 0.67 -0.51 4.44 4.50 3h1vX1 PRO 59 HB2 -0.28 0.01 0.03 -0.04 2.28 2.00 3h1vX1 PRO 59 HB3 -0.27 0.02 0.10 -0.04 2.02 1.83 3h1vX1 PRO 59 HG2 -0.07 0.08 0.03 -0.04 2.03 2.02 3h1vX1 PRO 59 HG3 -0.10 0.06 0.10 -0.04 2.03 2.05 3h1vX1 PRO 59 HD2 0.03 0.04 0.27 -0.04 3.68 3.98 3h1vX1 PRO 59 HD3 0.00 0.47 0.35 -0.04 3.65 4.44 3h1vX1 THR 60 H -0.22 0.36 0.32 -0.55 8.28 8.18 3h1vX1 THR 60 HA -0.35 0.27 1.04 -0.75 4.39 4.60 3h1vX1 THR 60 HB -0.25 -0.06 0.12 -0.04 4.32 4.09 3h1vX1 THR 60 HG23 -0.13 0.00 -0.10 -0.04 1.22 0.95 3h1vX1 TYR 61 H -0.36 0.11 0.06 -0.55 8.29 7.56 3h1vX1 TYR 61 HA -0.09 0.08 0.24 -0.75 4.56 4.04 3h1vX1 TYR 61 HB2 -0.11 0.14 -0.43 -0.04 3.06 2.62 3h1vX1 TYR 61 HB3 -0.06 -0.03 0.14 -0.04 2.98 2.99 3h1vX1 TYR 61 HD2 -0.03 -0.00 -0.28 -0.04 7.15 6.79 3h1vX1 TYR 61 HE2 0.01 0.09 -0.20 -0.04 6.85 6.71 3h1vX1 VAL 62 H -0.13 -0.01 -0.44 -0.55 8.24 7.12 3h1vX1 VAL 62 HA -0.06 0.21 0.83 -0.75 4.13 4.35 3h1vX1 VAL 62 HB -0.13 -0.15 0.09 -0.04 2.12 1.89 3h1vX1 VAL 62 HG13 -0.12 0.01 -0.20 -0.04 0.97 0.63 3h1vX1 VAL 62 HG23 -0.09 0.03 -0.05 -0.04 0.95 0.81 3h1vX1 ARG 63 H -0.08 0.25 0.19 -0.55 8.46 8.27 3h1vX1 ARG 63 HA -0.11 0.17 0.96 -0.75 4.34 4.60 3h1vX1 ARG 63 HB2 -0.06 0.05 0.04 -0.04 1.90 1.89 3h1vX1 ARG 63 HB3 -0.07 0.06 0.12 -0.04 1.80 1.87 3h1vX1 ARG 63 HG2 -0.09 -0.02 -0.16 -0.04 1.67 1.36 3h1vX1 ARG 63 HG3 -0.05 -0.00 -0.27 -0.04 1.67 1.31 3h1vX1 ARG 63 HD2 -0.01 0.01 0.02 -0.04 3.22 3.20 3h1vX1 ARG 63 HD3 -0.03 0.03 -0.01 -0.04 3.22 3.17 3h1vX1 SER 64 H -0.10 0.47 0.30 -0.55 8.46 8.59 3h1vX1 SER 64 HA -0.16 0.08 0.49 -0.75 4.49 4.15 3h1vX1 SER 64 HB2 -0.07 -0.03 0.14 -0.04 3.95 3.95 3h1vX1 SER 64 HB3 -0.09 0.00 0.11 -0.04 3.93 3.92 3h1vX1 THR 65 H -0.11 0.05 0.11 -0.55 8.28 7.77 3h1vX1 THR 65 HA -0.05 0.04 0.36 -0.75 4.39 3.98 3h1vX1 THR 65 HB -0.03 0.05 0.07 -0.04 4.32 4.37 3h1vX1 THR 65 HG23 -0.02 -0.03 -0.06 -0.04 1.22 1.07 3h1vX1 PRO 66 HA -0.06 0.22 0.70 -0.51 4.44 4.79 3h1vX1 PRO 66 HB2 -0.02 -0.02 0.13 -0.04 2.28 2.33 3h1vX1 PRO 66 HB3 -0.02 0.04 0.04 -0.04 2.02 2.04 3h1vX1 PRO 66 HG2 -0.01 0.02 0.16 -0.04 2.03 2.16 3h1vX1 PRO 66 HG3 -0.01 0.06 0.09 -0.04 2.03 2.13 3h1vX1 PRO 66 HD2 -0.02 0.10 0.10 -0.04 3.68 3.83 3h1vX1 PRO 66 HD3 -0.03 0.05 0.18 -0.04 3.65 3.82 3h1vX1 GLU 67 H -0.04 0.35 -0.09 -0.55 8.60 8.28 3h1vX1 GLU 67 HA -0.02 0.03 0.54 -0.75 4.29 4.09 3h1vX1 GLU 67 HB2 -0.03 0.01 0.09 -0.04 2.09 2.12 3h1vX1 GLU 67 HB3 -0.03 0.06 0.21 -0.04 1.99 2.20 3h1vX1 GLU 67 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.31 3h1vX1 GLU 67 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 3h1vX1 GLY 68 H -0.02 0.55 -0.09 -0.55 8.43 8.32 3h1vX1 GLY 68 HA2 -0.02 -0.06 0.32 -0.51 4.01 3.75 3h1vX1 GLY 68 HA3 -0.01 0.07 0.40 -0.51 4.01 3.95 3h1vX1 SER 69 H -0.03 0.10 0.05 -0.55 8.46 8.03 3h1vX1 SER 69 HA -0.04 0.32 0.61 -0.75 4.49 4.63 3h1vX1 SER 69 HB2 -0.07 -0.03 -0.20 -0.04 3.95 3.61 3h1vX1 SER 69 HB3 -0.08 -0.12 -0.05 -0.04 3.93 3.64 3h1vX1 GLU 70 H -0.00 0.59 0.11 -0.55 8.60 8.76 3h1vX1 GLU 70 HA 0.02 -0.02 0.50 -0.75 4.29 4.03 3h1vX1 GLU 70 HB2 0.07 0.30 0.22 -0.04 2.09 2.63 3h1vX1 GLU 70 HB3 0.24 -0.08 0.07 -0.04 1.99 2.18 3h1vX1 GLU 70 HG2 0.05 -0.00 0.09 -0.04 2.34 2.44 3h1vX1 GLU 70 HG3 0.06 0.11 0.13 -0.04 2.34 2.59 3h1vX1 VAL 71 H 0.02 0.10 0.17 -0.55 8.24 7.98 3h1vX1 VAL 71 HA -0.02 0.21 0.68 -0.75 4.13 4.24 3h1vX1 VAL 71 HB -0.12 -0.01 0.24 -0.04 2.12 2.19 3h1vX1 VAL 71 HG13 -0.16 -0.01 -0.18 -0.04 0.97 0.58 3h1vX1 VAL 71 HG23 -0.03 -0.01 -0.00 -0.04 0.95 0.87 3h1vX1 GLY 72 H -0.07 0.55 0.33 -0.55 8.43 8.69 3h1vX1 GLY 72 HA2 -0.03 -0.02 0.38 -0.51 4.01 3.83 3h1vX1 GLY 72 HA3 -0.10 0.20 1.00 -0.51 4.01 4.60 3h1vX1 ASP 73 H -0.24 0.23 0.22 -0.55 8.40 8.06 3h1vX1 ASP 73 HA 0.07 0.26 1.18 -0.75 4.63 5.39 3h1vX1 ASP 73 HB2 -0.09 -0.00 0.02 -0.04 2.71 2.59 3h1vX1 ASP 73 HB3 -0.01 -0.01 -0.11 -0.04 2.70 2.53 3h1vX1 PHE 74 H 0.17 0.52 0.36 -0.55 8.34 8.84 3h1vX1 PHE 74 HA -0.01 0.23 0.90 -0.75 4.62 5.00 3h1vX1 PHE 74 HB2 -0.02 -0.06 0.03 -0.04 3.15 3.06 3h1vX1 PHE 74 HB3 -0.01 0.03 -0.07 -0.04 3.06 2.96 3h1vX1 PHE 74 HD2 -0.03 -0.00 -0.22 -0.04 7.28 6.98 3h1vX1 PHE 74 HE2 -0.06 -0.01 -0.45 -0.04 7.38 6.82 3h1vX1 PHE 74 HZ -0.06 0.04 -0.28 -0.04 7.32 6.98 3h1vX1 LEU 75 H 0.06 0.76 0.33 -0.55 8.37 8.98 3h1vX1 LEU 75 HA 0.02 0.21 1.12 -0.75 4.35 4.95 3h1vX1 LEU 75 HB2 -0.01 0.01 0.03 -0.04 1.64 1.63 3h1vX1 LEU 75 HB3 0.01 -0.06 0.03 -0.04 1.64 1.58 3h1vX1 LEU 75 HG -0.08 0.01 0.04 -0.04 1.64 1.57 3h1vX1 LEU 75 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 3h1vX1 LEU 75 HD23 -0.08 -0.02 -0.12 -0.04 0.89 0.63 3h1vX1 SER 76 H -0.04 0.69 0.35 -0.55 8.46 8.92 3h1vX1 SER 76 HA 0.08 0.29 1.00 -0.75 4.49 5.11 3h1vX1 SER 76 HB2 -0.00 -0.05 -0.02 -0.04 3.95 3.84 3h1vX1 SER 76 HB3 0.03 -0.09 -0.10 -0.04 3.93 3.73 3h1vX1 LEU 77 H 0.20 0.64 0.34 -0.55 8.37 9.00 3h1vX1 LEU 77 HA 0.06 0.34 1.12 -0.75 4.35 5.11 3h1vX1 LEU 77 HB2 0.50 -0.08 0.07 -0.04 1.64 2.09 3h1vX1 LEU 77 HB3 0.63 -0.01 0.06 -0.04 1.64 2.28 3h1vX1 LEU 77 HG 0.07 0.03 -0.14 -0.04 1.64 1.56 3h1vX1 LEU 77 HD13 -0.19 -0.00 -0.11 -0.04 0.93 0.58 3h1vX1 LEU 77 HD23 0.13 0.03 -0.15 -0.04 0.89 0.86 3h1vX1 ASP 78 H 0.12 0.52 0.20 -0.55 8.40 8.69 3h1vX1 ASP 78 HA 0.23 0.27 0.89 -0.75 4.63 5.26 3h1vX1 ASP 78 HB2 0.05 0.00 -0.22 -0.04 2.71 2.51 3h1vX1 ASP 78 HB3 0.01 -0.03 0.11 -0.04 2.70 2.75 3h1vX1 LEU 79 H 0.41 0.59 0.19 -0.55 8.37 9.01 3h1vX1 LEU 79 HA 0.46 0.19 1.06 -0.75 4.35 5.31 3h1vX1 LEU 79 HB2 0.61 0.03 -0.01 -0.04 1.64 2.23 3h1vX1 LEU 79 HB3 0.62 -0.01 0.14 -0.04 1.64 2.35 3h1vX1 LEU 79 HG 0.29 -0.02 -0.23 -0.04 1.64 1.64 3h1vX1 LEU 79 HD13 0.26 0.02 -0.01 -0.04 0.93 1.16 3h1vX1 LEU 79 HD23 0.36 0.00 -0.10 -0.04 0.89 1.11 3h1vX1 GLY 80 H 0.24 0.08 0.21 -0.55 8.43 8.41 3h1vX1 GLY 80 HA2 -0.26 0.09 0.34 -0.51 4.01 3.67 3h1vX1 GLY 80 HA3 -0.20 -0.05 0.39 -0.51 4.01 3.63 3h1vX1 GLY 81 H 0.21 0.06 0.21 -0.55 8.43 8.37 3h1vX1 GLY 81 HA2 0.25 0.20 0.65 -0.51 4.01 4.61 3h1vX1 GLY 81 HA3 0.13 -0.03 0.44 -0.51 4.01 4.04 3h1vX1 THR 82 H 0.08 0.11 0.17 -0.55 8.28 8.10 3h1vX1 THR 82 HA -0.04 0.15 0.52 -0.75 4.39 4.26 3h1vX1 THR 82 HB -0.00 0.01 -0.05 -0.04 4.32 4.24 3h1vX1 THR 82 HG23 -0.12 0.04 0.09 -0.04 1.22 1.18 3h1vX1 ASN 83 H 0.10 -0.06 -0.06 -0.55 8.53 7.96 3h1vX1 ASN 83 HA 0.17 0.32 1.08 -0.75 4.76 5.58 3h1vX1 ASN 83 HB2 0.07 -0.13 0.05 -0.04 2.88 2.83 3h1vX1 ASN 83 HB3 0.08 0.08 -0.12 -0.04 2.79 2.79 3h1vX1 ASN 83 HD21 0.03 0.03 -0.09 -0.04 7.03 6.96 3h1vX1 ASN 83 HD22 0.03 -0.00 -0.11 -0.04 7.74 7.62 3h1vX1 PHE 84 H 0.36 0.94 0.37 -0.55 8.34 9.46 3h1vX1 PHE 84 HA 0.17 0.23 0.94 -0.75 4.62 5.20 3h1vX1 PHE 84 HB2 0.20 -0.05 0.03 -0.04 3.15 3.30 3h1vX1 PHE 84 HB3 0.23 0.07 0.08 -0.04 3.06 3.40 3h1vX1 PHE 84 HD2 0.20 0.00 -0.18 -0.04 7.28 7.25 3h1vX1 PHE 84 HE2 0.04 -0.05 -0.12 -0.04 7.38 7.21 3h1vX1 PHE 84 HZ -0.01 0.01 -0.11 -0.04 7.32 7.17 3h1vX1 ARG 85 H -0.34 0.37 0.32 -0.55 8.46 8.26 3h1vX1 ARG 85 HA -0.30 0.27 1.08 -0.75 4.34 4.64 3h1vX1 ARG 85 HB2 -0.11 -0.10 0.05 -0.04 1.90 1.69 3h1vX1 ARG 85 HB3 -0.15 0.06 -0.08 -0.04 1.80 1.58 3h1vX1 ARG 85 HG2 -0.07 0.00 -0.12 -0.04 1.67 1.44 3h1vX1 ARG 85 HG3 -0.04 -0.03 -0.33 -0.04 1.67 1.23 3h1vX1 ARG 85 HD2 -0.02 -0.04 -0.11 -0.04 3.22 3.01 3h1vX1 ARG 85 HD3 -0.03 -0.07 -0.10 -0.04 3.22 2.98 3h1vX1 VAL 86 H -0.35 0.75 0.40 -0.55 8.24 8.48 3h1vX1 VAL 86 HA -0.35 0.26 0.96 -0.75 4.13 4.24 3h1vX1 VAL 86 HB -0.51 -0.01 0.06 -0.04 2.12 1.62 3h1vX1 VAL 86 HG13 -0.57 0.01 -0.05 -0.04 0.97 0.32 3h1vX1 VAL 86 HG23 -0.16 -0.00 -0.27 -0.04 0.95 0.47 3h1vX1 MET 87 H -0.32 0.52 0.37 -0.55 8.47 8.49 3h1vX1 MET 87 HA -0.34 0.17 0.74 -0.75 4.52 4.33 3h1vX1 MET 87 HB2 -0.01 0.09 0.19 -0.04 2.15 2.38 3h1vX1 MET 87 HB3 -0.08 -0.03 -0.03 -0.04 2.03 1.85 3h1vX1 MET 87 HG2 -0.08 0.09 -0.07 -0.04 2.63 2.52 3h1vX1 MET 87 HG3 -0.03 -0.01 -0.24 -0.04 2.56 2.25 3h1vX1 MET 87 HE3 -0.06 -0.00 -0.39 -0.04 2.10 1.61 3h1vX1 LEU 88 H 0.05 0.63 0.44 -0.55 8.37 8.94 3h1vX1 LEU 88 HA 0.05 0.37 1.13 -0.75 4.35 5.14 3h1vX1 LEU 88 HB2 0.20 0.03 -0.01 -0.04 1.64 1.82 3h1vX1 LEU 88 HB3 0.11 -0.17 0.19 -0.04 1.64 1.73 3h1vX1 LEU 88 HG 0.07 -0.00 -0.18 -0.04 1.64 1.49 3h1vX1 LEU 88 HD13 0.05 0.06 -0.15 -0.04 0.93 0.84 3h1vX1 LEU 88 HD23 0.05 0.00 -0.10 -0.04 0.89 0.80 3h1vX1 VAL 89 H 0.11 0.68 0.34 -0.55 8.24 8.82 3h1vX1 VAL 89 HA 0.10 0.25 1.21 -0.75 4.13 4.94 3h1vX1 VAL 89 HB 0.06 -0.09 -0.25 -0.04 2.12 1.79 3h1vX1 VAL 89 HG13 0.06 0.02 -0.29 -0.04 0.97 0.72 3h1vX1 VAL 89 HG23 0.05 -0.02 -0.27 -0.04 0.95 0.67 3h1vX1 LYS 90 H 0.15 0.55 0.29 -0.55 8.42 8.86 3h1vX1 LYS 90 HA 0.12 0.28 1.04 -0.75 4.32 5.00 3h1vX1 LYS 90 HB2 0.15 -0.06 0.02 -0.04 1.87 1.94 3h1vX1 LYS 90 HB3 0.30 -0.02 0.11 -0.04 1.79 2.14 3h1vX1 LYS 90 HG2 0.09 0.07 -0.24 -0.04 1.46 1.34 3h1vX1 LYS 90 HG3 0.10 0.02 -0.05 -0.04 1.46 1.49 3h1vX1 LYS 90 HD2 0.46 -0.03 -0.09 -0.04 1.69 1.99 3h1vX1 LYS 90 HD3 0.34 -0.01 -0.07 -0.04 1.68 1.90 3h1vX1 LYS 90 HE2 0.15 -0.02 -0.05 -0.04 2.99 3.03 3h1vX1 LYS 90 HE3 0.15 -0.01 -0.05 -0.04 2.99 3.04 3h1vX1 VAL 91 H 0.03 0.75 0.36 -0.55 8.24 8.83 3h1vX1 VAL 91 HA -0.40 0.32 0.89 -0.75 4.13 4.18 3h1vX1 VAL 91 HB -0.04 -0.01 -0.04 -0.04 2.12 1.99 3h1vX1 VAL 91 HG13 -0.32 0.03 -0.08 -0.04 0.97 0.56 3h1vX1 VAL 91 HG23 -0.23 -0.00 -0.28 -0.04 0.95 0.39 3h1vX1 GLY 92 H -1.17 0.58 0.30 -0.55 8.43 7.59 3h1vX1 GLY 92 HA2 -0.60 0.05 0.78 -0.51 4.01 3.73 3h1vX1 GLY 92 HA3 -1.83 0.03 0.24 -0.51 4.01 1.95 3h1vX1 GLU 93 H -0.20 0.11 0.17 -0.55 8.60 8.14 3h1vX1 GLU 93 HA -0.14 0.12 0.52 -0.75 4.29 4.03 3h1vX1 GLU 93 HB2 0.03 -0.03 0.03 -0.04 2.09 2.08 3h1vX1 GLU 93 HB3 0.02 0.04 0.03 -0.04 1.99 2.04 3h1vX1 GLU 93 HG2 -0.07 -0.05 -0.00 -0.04 2.34 2.17 3h1vX1 GLU 93 HG3 -0.01 0.02 0.00 -0.04 2.34 2.31 3h1vX1 GLY 94 H 0.09 0.20 0.09 -0.55 8.43 8.26 3h1vX1 GLY 94 HA2 0.20 0.08 0.53 -0.51 4.01 4.32 3h1vX1 GLY 94 HA3 0.32 -0.05 0.31 -0.51 4.01 4.08 3h1vX1 GLU 95 H 0.26 0.10 0.10 -0.55 8.60 8.51 3h1vX1 GLU 95 HA 0.11 0.13 0.39 -0.75 4.29 4.16 3h1vX1 GLU 95 HB2 0.14 0.01 0.15 -0.04 2.09 2.35 3h1vX1 GLU 95 HB3 0.18 -0.22 0.23 -0.04 1.99 2.15 3h1vX1 GLU 95 HG2 0.04 0.00 0.02 -0.04 2.34 2.36 3h1vX1 GLU 95 HG3 0.05 0.06 -0.10 -0.04 2.34 2.31 3h1vX1 GLU 96 H 0.33 0.08 0.07 -0.55 8.60 8.54 3h1vX1 GLU 96 HA 0.13 0.10 0.32 -0.75 4.29 4.09 3h1vX1 GLU 96 HB2 0.13 -0.02 -0.03 -0.04 2.09 2.13 3h1vX1 GLU 96 HB3 0.06 0.08 0.07 -0.04 1.99 2.16 3h1vX1 GLU 96 HG2 -0.06 -0.15 0.07 -0.04 2.34 2.15 3h1vX1 GLU 96 HG3 -0.44 0.11 0.01 -0.04 2.34 1.98 3h1vX1 GLY 97 H 0.36 0.02 -0.51 -0.55 8.43 7.76 3h1vX1 GLY 97 HA2 0.10 0.09 0.26 -0.51 4.01 3.95 3h1vX1 GLY 97 HA3 0.17 0.12 0.33 -0.51 4.01 4.12 3h1vX1 GLN 98 H -0.04 0.19 0.00 -0.55 8.47 8.07 3h1vX1 GLN 98 HA -0.29 0.25 0.56 -0.75 4.36 4.13 3h1vX1 GLN 98 HB2 -0.14 -0.06 0.07 -0.04 2.15 1.98 3h1vX1 GLN 98 HB3 -0.27 0.09 -0.07 -0.04 2.02 1.73 3h1vX1 GLN 98 HG2 -0.18 0.11 -0.17 -0.04 2.40 2.12 3h1vX1 GLN 98 HG3 -0.21 0.02 -0.24 -0.04 2.39 1.91 3h1vX1 GLN 98 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.88 3h1vX1 GLN 98 HE22 -0.06 -0.01 -0.13 -0.04 7.69 7.45 3h1vX1 TRP 99 H -0.45 0.34 0.24 -0.55 7.97 7.56 3h1vX1 TRP 99 HA -0.50 0.07 0.61 -0.75 4.62 4.05 3h1vX1 TRP 99 HB2 -0.09 0.02 0.08 -0.04 3.23 3.20 3h1vX1 TRP 99 HB3 -0.21 -0.05 0.03 -0.04 3.23 2.96 3h1vX1 TRP 99 HD1 -0.05 -0.06 -0.25 -0.04 7.22 6.81 3h1vX1 TRP 99 HE1 -0.00 0.24 -0.03 -0.04 10.20 10.37 3h1vX1 TRP 99 HE3 -0.02 0.04 -0.39 -0.04 7.59 7.17 3h1vX1 TRP 99 HZ2 0.01 0.00 -0.05 -0.04 7.44 7.36 3h1vX1 TRP 99 HZ3 0.02 0.02 -0.23 -0.04 7.13 6.90 3h1vX1 TRP 99 HH2 0.02 -0.01 -0.15 -0.04 7.19 7.01 3h1vX1 SER 100 H 0.22 0.32 0.25 -0.55 8.46 8.71 3h1vX1 SER 100 HA 0.08 0.39 0.68 -0.75 4.49 4.89 3h1vX1 SER 100 HB2 0.02 -0.12 -0.04 -0.04 3.95 3.77 3h1vX1 SER 100 HB3 -0.07 0.11 -0.09 -0.04 3.93 3.83 3h1vX1 VAL 101 H 0.15 0.33 0.10 -0.55 8.24 8.27 3h1vX1 VAL 101 HA 0.11 0.02 0.70 -0.75 4.13 4.20 3h1vX1 VAL 101 HB 0.21 0.07 -0.35 -0.04 2.12 2.02 3h1vX1 VAL 101 HG13 0.31 0.05 -0.06 -0.04 0.97 1.22 3h1vX1 VAL 101 HG23 0.07 0.05 -0.00 -0.04 0.95 1.02 3h1vX1 LYS 102 H 0.06 0.10 0.12 -0.55 8.42 8.15 3h1vX1 LYS 102 HA 0.07 0.19 0.79 -0.75 4.32 4.62 3h1vX1 LYS 102 HB2 0.01 -0.09 0.05 -0.04 1.87 1.81 3h1vX1 LYS 102 HB3 0.01 -0.00 0.10 -0.04 1.79 1.86 3h1vX1 LYS 102 HG2 0.11 0.06 -0.30 -0.04 1.46 1.29 3h1vX1 LYS 102 HG3 0.03 -0.01 -0.05 -0.04 1.46 1.39 3h1vX1 LYS 102 HD2 -0.25 0.01 -0.16 -0.04 1.69 1.25 3h1vX1 LYS 102 HD3 -0.14 -0.11 -0.08 -0.04 1.68 1.31 3h1vX1 LYS 102 HE2 -0.06 -0.01 -0.05 -0.04 2.99 2.82 3h1vX1 LYS 102 HE3 -0.06 0.08 -0.18 -0.04 2.99 2.79 3h1vX1 THR 103 H 0.10 0.59 0.43 -0.55 8.28 8.85 3h1vX1 THR 103 HA 0.10 0.21 0.95 -0.75 4.39 4.89 3h1vX1 THR 103 HB 0.09 0.01 0.03 -0.04 4.32 4.41 3h1vX1 THR 103 HG23 0.12 0.02 -0.13 -0.04 1.22 1.19 3h1vX1 LYS 104 H 0.12 0.19 0.34 -0.55 8.42 8.51 3h1vX1 LYS 104 HA 0.08 0.21 0.86 -0.75 4.32 4.72 3h1vX1 LYS 104 HB2 0.10 -0.09 0.09 -0.04 1.87 1.92 3h1vX1 LYS 104 HB3 -0.06 0.04 -0.08 -0.04 1.79 1.64 3h1vX1 LYS 104 HG2 -0.06 0.08 -0.03 -0.04 1.46 1.41 3h1vX1 LYS 104 HG3 0.14 0.06 0.04 -0.04 1.46 1.66 3h1vX1 LYS 104 HD2 0.08 0.16 -0.35 -0.04 1.69 1.54 3h1vX1 LYS 104 HD3 0.06 -0.10 -0.17 -0.04 1.68 1.43 3h1vX1 LYS 104 HE2 0.05 -0.03 -0.04 -0.04 2.99 2.93 3h1vX1 LYS 104 HE3 0.05 0.08 -0.02 -0.04 2.99 3.05 3h1vX1 HIS 105 H -0.11 0.33 0.19 -0.55 8.41 8.28 3h1vX1 HIS 105 HA -0.08 0.17 0.96 -0.75 4.63 4.93 3h1vX1 HIS 105 HB2 -0.06 -0.01 -0.04 -0.04 3.26 3.12 3h1vX1 HIS 105 HB3 -0.03 -0.03 -0.12 -0.04 3.20 2.98 3h1vX1 HIS 105 HD2 0.04 0.01 -0.28 -0.04 6.97 6.70 3h1vX1 HIS 105 HE1 0.01 -0.00 -0.03 -0.04 7.75 7.68 3h1vX1 GLN 106 H -0.14 0.75 0.39 -0.55 8.47 8.93 3h1vX1 GLN 106 HA -0.06 0.11 0.84 -0.75 4.36 4.50 3h1vX1 GLN 106 HB2 0.30 0.08 -0.10 -0.04 2.15 2.38 3h1vX1 GLN 106 HB3 0.23 -0.01 0.02 -0.04 2.02 2.22 3h1vX1 GLN 106 HG2 -0.12 0.01 -0.16 -0.04 2.40 2.09 3h1vX1 GLN 106 HG3 -0.84 0.06 -0.29 -0.04 2.39 1.27 3h1vX1 GLN 106 HE21 -0.07 -0.03 0.06 -0.04 6.97 6.88 3h1vX1 GLN 106 HE22 -0.33 0.21 0.09 -0.04 7.69 7.62 3h1vX1 MET 107 H -0.21 0.20 0.19 -0.55 8.47 8.10 3h1vX1 MET 107 HA -0.21 0.22 1.03 -0.75 4.52 4.81 3h1vX1 MET 107 HB2 -0.04 -0.04 -0.01 -0.04 2.15 2.01 3h1vX1 MET 107 HB3 -0.06 -0.00 -0.01 -0.04 2.03 1.92 3h1vX1 MET 107 HG2 0.01 -0.00 -0.11 -0.04 2.63 2.48 3h1vX1 MET 107 HG3 -0.04 0.02 -0.10 -0.04 2.56 2.40 3h1vX1 MET 107 HE3 -0.01 -0.01 -0.09 -0.04 2.10 1.96 3h1vX1 TYR 108 H 0.08 0.76 0.35 -0.55 8.29 8.92 3h1vX1 TYR 108 HA 0.12 0.13 0.93 -0.75 4.56 4.99 3h1vX1 TYR 108 HB2 0.35 -0.06 0.05 -0.04 3.06 3.36 3h1vX1 TYR 108 HB3 0.27 0.10 -0.04 -0.04 2.98 3.27 3h1vX1 TYR 108 HD2 0.02 -0.02 -0.13 -0.04 7.15 6.98 3h1vX1 TYR 108 HE2 0.03 -0.01 -0.15 -0.04 6.85 6.68 3h1vX1 SER 109 H 0.22 0.15 0.15 -0.55 8.46 8.43 3h1vX1 SER 109 HA 0.14 0.10 0.81 -0.75 4.49 4.78 3h1vX1 SER 109 HB2 0.09 0.01 -0.05 -0.04 3.95 3.95 3h1vX1 SER 109 HB3 0.05 0.03 0.05 -0.04 3.93 4.01 3h1vX1 ILE 110 H 0.05 0.53 0.33 -0.55 8.25 8.61 3h1vX1 ILE 110 HA -0.30 0.17 0.81 -0.75 4.18 4.11 3h1vX1 ILE 110 HB -0.12 0.00 0.17 -0.04 1.89 1.90 3h1vX1 ILE 110 HG12 0.06 -0.03 -0.05 -0.04 1.49 1.43 3h1vX1 ILE 110 HG13 0.26 0.02 -0.17 -0.04 1.21 1.27 3h1vX1 ILE 110 HG23 -0.32 0.01 -0.05 -0.04 0.93 0.52 3h1vX1 ILE 110 HD13 0.20 0.08 -0.08 -0.04 0.88 1.05 3h1vX1 PRO 111 HA -0.14 0.11 0.45 -0.51 4.44 4.35 3h1vX1 PRO 111 HB2 -0.23 -0.22 -0.02 -0.04 2.28 1.77 3h1vX1 PRO 111 HB3 -0.14 0.06 0.12 -0.04 2.02 2.02 3h1vX1 PRO 111 HG2 -0.42 0.07 0.07 -0.04 2.03 1.71 3h1vX1 PRO 111 HG3 -0.20 0.12 0.08 -0.04 2.03 1.99 3h1vX1 PRO 111 HD2 -1.17 0.03 0.19 -0.04 3.68 2.70 3h1vX1 PRO 111 HD3 -1.24 0.32 0.25 -0.04 3.65 2.95 3h1vX1 GLU 112 H -0.10 0.18 0.18 -0.55 8.60 8.31 3h1vX1 GLU 112 HA -0.14 0.16 0.47 -0.75 4.29 4.04 3h1vX1 GLU 112 HB2 -0.08 0.04 0.16 -0.04 2.09 2.18 3h1vX1 GLU 112 HB3 -0.07 -0.04 0.14 -0.04 1.99 1.98 3h1vX1 GLU 112 HG2 -0.06 0.04 0.01 -0.04 2.34 2.29 3h1vX1 GLU 112 HG3 -0.08 0.02 -0.12 -0.04 2.34 2.12 3h1vX1 ASP 113 H -0.09 0.10 -0.03 -0.55 8.40 7.84 3h1vX1 ASP 113 HA -0.08 0.18 0.46 -0.75 4.63 4.43 3h1vX1 ASP 113 HB2 -0.05 0.07 0.07 -0.04 2.71 2.76 3h1vX1 ASP 113 HB3 -0.05 0.06 0.03 -0.04 2.70 2.70 3h1vX1 ALA 114 H -0.17 0.07 -0.69 -0.55 8.40 7.06 3h1vX1 ALA 114 HA -0.10 0.14 0.73 -0.75 4.34 4.35 3h1vX1 ALA 114 HB3 -0.31 0.05 0.03 -0.04 1.41 1.14 3h1vX1 MET 115 H -0.21 0.45 -0.13 -0.55 8.47 8.03 3h1vX1 MET 115 HA -0.23 0.06 0.54 -0.75 4.52 4.14 3h1vX1 MET 115 HB2 -0.30 0.13 0.09 -0.04 2.15 2.03 3h1vX1 MET 115 HB3 -0.33 0.10 0.01 -0.04 2.03 1.76 3h1vX1 MET 115 HG2 -0.72 -0.14 0.13 -0.04 2.63 1.86 3h1vX1 MET 115 HG3 -0.45 -0.02 0.05 -0.04 2.56 2.10 3h1vX1 MET 115 HE3 -0.25 0.01 0.07 -0.04 2.10 1.90 3h1vX1 THR 116 H -0.14 0.14 -0.40 -0.55 8.28 7.33 3h1vX1 THR 116 HA -0.11 0.14 0.62 -0.75 4.39 4.29 3h1vX1 THR 116 HB -0.06 0.02 0.13 -0.04 4.32 4.37 3h1vX1 THR 116 HG23 -0.10 -0.00 -0.06 -0.04 1.22 1.02 3h1vX1 GLY 117 H -0.08 0.18 -0.69 -0.55 8.43 7.29 3h1vX1 GLY 117 HA2 -0.02 0.13 0.43 -0.51 4.01 4.04 3h1vX1 GLY 117 HA3 -0.02 -0.02 0.39 -0.51 4.01 3.86 3h1vX1 THR 118 H 0.03 0.11 0.20 -0.55 8.28 8.07 3h1vX1 THR 118 HA 0.08 0.19 0.71 -0.75 4.39 4.62 3h1vX1 THR 118 HB 0.07 0.04 0.12 -0.04 4.32 4.51 3h1vX1 THR 118 HG23 0.03 0.03 -0.14 -0.04 1.22 1.11 3h1vX1 ALA 119 H 0.15 0.69 0.06 -0.55 8.40 8.75 3h1vX1 ALA 119 HA 0.36 0.03 0.44 -0.75 4.34 4.42 3h1vX1 ALA 119 HB3 0.18 0.02 -0.02 -0.04 1.41 1.55 3h1vX1 GLU 120 H 0.10 0.20 -0.02 -0.55 8.60 8.34 3h1vX1 GLU 120 HA 0.08 0.11 0.37 -0.75 4.29 4.09 3h1vX1 GLU 120 HB2 0.04 0.08 -0.07 -0.04 2.09 2.09 3h1vX1 GLU 120 HB3 0.02 0.06 0.08 -0.04 1.99 2.12 3h1vX1 GLU 120 HG2 0.06 -0.25 -0.01 -0.04 2.34 2.10 3h1vX1 GLU 120 HG3 0.03 0.09 -0.01 -0.04 2.34 2.41 3h1vX1 MET 121 H 0.09 -0.00 -0.46 -0.55 8.47 7.54 3h1vX1 MET 121 HA 0.06 0.13 0.56 -0.75 4.52 4.51 3h1vX1 MET 121 HB2 0.04 -0.01 0.09 -0.04 2.15 2.24 3h1vX1 MET 121 HB3 0.04 -0.02 0.21 -0.04 2.03 2.22 3h1vX1 MET 121 HG2 0.02 0.03 -0.01 -0.04 2.63 2.63 3h1vX1 MET 121 HG3 0.03 0.03 0.06 -0.04 2.56 2.64 3h1vX1 MET 121 HE3 0.02 0.01 -0.01 -0.04 2.10 2.08 3h1vX1 LEU 122 H 0.10 0.72 0.13 -0.55 8.37 8.77 3h1vX1 LEU 122 HA 0.01 -0.01 0.45 -0.75 4.35 4.05 3h1vX1 LEU 122 HB2 -0.01 0.12 0.13 -0.04 1.64 1.85 3h1vX1 LEU 122 HB3 0.11 0.06 0.18 -0.04 1.64 1.96 3h1vX1 LEU 122 HG -0.25 -0.02 -0.24 -0.04 1.64 1.09 3h1vX1 LEU 122 HD13 -0.09 -0.01 -0.08 -0.04 0.93 0.71 3h1vX1 LEU 122 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 3h1vX1 PHE 123 H 0.31 0.71 -0.14 -0.55 8.34 8.68 3h1vX1 PHE 123 HA -0.03 0.00 0.51 -0.75 4.62 4.35 3h1vX1 PHE 123 HB2 0.01 0.11 0.03 -0.04 3.15 3.26 3h1vX1 PHE 123 HB3 -0.03 0.05 0.01 -0.04 3.06 3.04 3h1vX1 PHE 123 HD2 -0.00 0.10 -0.04 -0.04 7.28 7.29 3h1vX1 PHE 123 HE2 0.10 -0.02 -0.09 -0.04 7.38 7.33 3h1vX1 PHE 123 HZ 0.06 -0.04 -0.09 -0.04 7.32 7.21 3h1vX1 ASP 124 H 0.12 0.27 -0.38 -0.55 8.40 7.86 3h1vX1 ASP 124 HA 0.03 0.08 0.68 -0.75 4.63 4.68 3h1vX1 ASP 124 HB2 0.06 0.10 0.31 -0.04 2.71 3.13 3h1vX1 ASP 124 HB3 0.03 -0.04 0.06 -0.04 2.70 2.71 3h1vX1 TYR 125 H 0.13 0.55 0.06 -0.55 8.29 8.48 3h1vX1 TYR 125 HA -0.04 0.02 0.45 -0.75 4.56 4.23 3h1vX1 TYR 125 HB2 -0.05 -0.02 0.14 -0.04 3.06 3.09 3h1vX1 TYR 125 HB3 -0.09 0.12 0.12 -0.04 2.98 3.09 3h1vX1 TYR 125 HD2 -0.07 0.02 -0.09 -0.04 7.15 6.97 3h1vX1 TYR 125 HE2 0.04 0.00 -0.06 -0.04 6.85 6.79 3h1vX1 ILE 126 H -0.07 0.37 -0.46 -0.55 8.25 7.55 3h1vX1 ILE 126 HA -0.44 0.01 0.47 -0.75 4.18 3.47 3h1vX1 ILE 126 HB -0.30 0.08 0.17 -0.04 1.89 1.81 3h1vX1 ILE 126 HG12 -1.20 -0.07 -0.04 -0.04 1.49 0.14 3h1vX1 ILE 126 HG13 -0.31 0.03 -0.05 -0.04 1.21 0.84 3h1vX1 ILE 126 HG23 -0.52 -0.01 -0.16 -0.04 0.93 0.20 3h1vX1 ILE 126 HD13 -0.60 -0.02 -0.15 -0.04 0.88 0.07 3h1vX1 SER 127 H -0.03 0.72 0.03 -0.55 8.46 8.63 3h1vX1 SER 127 HA 0.19 -0.04 0.41 -0.75 4.49 4.29 3h1vX1 SER 127 HB2 0.03 0.03 -0.08 -0.04 3.95 3.88 3h1vX1 SER 127 HB3 0.06 -0.04 -0.03 -0.04 3.93 3.88 3h1vX1 GLU 128 H -0.07 0.74 -0.19 -0.55 8.60 8.53 3h1vX1 GLU 128 HA -0.01 0.03 0.49 -0.75 4.29 4.04 3h1vX1 GLU 128 HB2 -0.08 0.12 0.10 -0.04 2.09 2.19 3h1vX1 GLU 128 HB3 -0.30 0.13 0.14 -0.04 1.99 1.92 3h1vX1 GLU 128 HG2 -0.10 -0.08 -0.06 -0.04 2.34 2.07 3h1vX1 GLU 128 HG3 -0.04 0.01 0.04 -0.04 2.34 2.30 3h1vX1 CYS 129 H -0.35 0.50 -0.25 -0.55 8.50 7.86 3h1vX1 CYS 129 HA -0.54 -0.05 0.35 -0.75 4.58 3.59 3h1vX1 CYS 129 HB2 -0.21 0.18 0.12 -0.04 2.97 3.02 3h1vX1 CYS 129 HB3 -1.41 -0.09 -0.07 -0.04 2.97 1.35 3h1vX1 ILE 130 H 0.03 0.47 -0.25 -0.55 8.25 7.95 3h1vX1 ILE 130 HA 0.08 -0.01 0.42 -0.75 4.18 3.91 3h1vX1 ILE 130 HB 0.17 0.18 0.10 -0.04 1.89 2.30 3h1vX1 ILE 130 HG12 0.13 -0.08 -0.06 -0.04 1.49 1.44 3h1vX1 ILE 130 HG13 0.16 0.25 -0.03 -0.04 1.21 1.55 3h1vX1 ILE 130 HG23 -0.44 -0.02 -0.11 -0.04 0.93 0.31 3h1vX1 ILE 130 HD13 0.11 -0.03 -0.13 -0.04 0.88 0.79 3h1vX1 SER 131 H 0.21 0.52 -0.25 -0.55 8.46 8.40 3h1vX1 SER 131 HA 0.13 -0.06 0.47 -0.75 4.49 4.28 3h1vX1 SER 131 HB2 0.13 0.28 0.24 -0.04 3.95 4.56 3h1vX1 SER 131 HB3 0.15 -0.09 0.03 -0.04 3.93 3.98 3h1vX1 ASP 132 H 0.04 0.51 0.05 -0.55 8.40 8.45 3h1vX1 ASP 132 HA 0.09 -0.02 0.42 -0.75 4.63 4.37 3h1vX1 ASP 132 HB2 0.05 -0.00 0.09 -0.04 2.71 2.81 3h1vX1 ASP 132 HB3 0.13 0.08 0.05 -0.04 2.70 2.92 3h1vX1 PHE 133 H 0.31 0.38 -0.71 -0.55 8.34 7.76 3h1vX1 PHE 133 HA 0.24 0.06 0.53 -0.75 4.62 4.70 3h1vX1 PHE 133 HB2 0.25 -0.06 -0.05 -0.04 3.15 3.26 3h1vX1 PHE 133 HB3 0.09 0.20 0.08 -0.04 3.06 3.39 3h1vX1 PHE 133 HD2 -0.08 0.04 -0.23 -0.04 7.28 6.98 3h1vX1 PHE 133 HE2 -0.34 -0.06 -0.32 -0.04 7.38 6.63 3h1vX1 PHE 133 HZ -0.29 -0.06 -0.23 -0.04 7.32 6.70 3h1vX1 LEU 134 H 0.13 0.50 0.14 -0.55 8.37 8.59 3h1vX1 LEU 134 HA -0.13 0.05 0.27 -0.75 4.35 3.79 3h1vX1 LEU 134 HB2 -0.02 -0.02 0.14 -0.04 1.64 1.71 3h1vX1 LEU 134 HB3 -0.05 -0.10 -0.19 -0.04 1.64 1.26 3h1vX1 LEU 134 HG -0.03 0.07 -0.08 -0.04 1.64 1.56 3h1vX1 LEU 134 HD13 -0.80 -0.01 -0.19 -0.04 0.93 -0.11 3h1vX1 LEU 134 HD23 -0.10 0.02 -0.16 -0.04 0.89 0.61 3h1vX1 ASP 135 H 0.04 0.48 0.06 -0.55 8.40 8.43 3h1vX1 ASP 135 HA 0.01 -0.08 0.52 -0.75 4.63 4.32 3h1vX1 ASP 135 HB2 0.03 0.07 0.07 -0.04 2.71 2.85 3h1vX1 ASP 135 HB3 0.02 -0.01 0.03 -0.04 2.70 2.70 3h1vX1 LYS 136 H -0.00 0.36 -0.31 -0.55 8.42 7.91 3h1vX1 LYS 136 HA -0.10 -0.03 0.25 -0.75 4.32 3.69 3h1vX1 LYS 136 HB2 0.02 0.79 0.32 -0.04 1.87 2.96 3h1vX1 LYS 136 HB3 -0.16 -0.06 0.11 -0.04 1.79 1.63 3h1vX1 LYS 136 HG2 -0.09 -0.06 0.11 -0.04 1.46 1.38 3h1vX1 LYS 136 HG3 -0.03 -0.08 0.07 -0.04 1.46 1.37 3h1vX1 LYS 136 HD2 0.07 0.11 0.12 -0.04 1.69 1.94 3h1vX1 LYS 136 HD3 0.03 -0.05 0.05 -0.04 1.68 1.67 3h1vX1 LYS 136 HE2 0.00 -0.02 0.04 -0.04 2.99 2.96 3h1vX1 LYS 136 HE3 0.04 -0.04 0.03 -0.04 2.99 2.99 3h1vX1 HIS 137 H -0.11 0.22 -0.98 -0.55 8.41 7.00 3h1vX1 HIS 137 HA -0.17 0.15 0.86 -0.75 4.63 4.71 3h1vX1 HIS 137 HB2 -0.65 0.15 0.01 -0.04 3.26 2.73 3h1vX1 HIS 137 HB3 -0.32 -0.09 0.12 -0.04 3.20 2.87 3h1vX1 HIS 137 HD2 -0.15 -0.03 0.04 -0.04 6.97 6.78 3h1vX1 HIS 137 HE1 -0.05 -0.06 -0.12 -0.04 7.75 7.48 3h1vX1 GLN 138 H -0.06 0.58 0.21 -0.55 8.47 8.64 3h1vX1 GLN 138 HA 0.00 -0.01 0.37 -0.75 4.36 3.98 3h1vX1 GLN 138 HB2 -0.00 0.28 0.26 -0.04 2.15 2.64 3h1vX1 GLN 138 HB3 0.04 -0.07 0.23 -0.04 2.02 2.17 3h1vX1 GLN 138 HG2 -0.05 -0.02 -0.31 -0.04 2.40 1.98 3h1vX1 GLN 138 HG3 -0.02 0.01 -0.15 -0.04 2.39 2.20 3h1vX1 GLN 138 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 3h1vX1 GLN 138 HE22 -0.02 0.01 -0.03 -0.04 7.69 7.60 3h1vX1 MET 139 H -0.07 0.58 0.11 -0.55 8.47 8.54 3h1vX1 MET 139 HA -0.35 0.17 1.02 -0.75 4.52 4.61 3h1vX1 MET 139 HB2 -0.20 -0.09 0.12 -0.04 2.15 1.93 3h1vX1 MET 139 HB3 -0.13 0.13 -0.29 -0.04 2.03 1.71 3h1vX1 MET 139 HG2 -0.14 0.07 -0.27 -0.04 2.63 2.25 3h1vX1 MET 139 HG3 -0.12 -0.06 -0.12 -0.04 2.56 2.21 3h1vX1 MET 139 HE3 -0.04 0.05 -0.07 -0.04 2.10 1.99 3h1vX1 LYS 140 H -0.02 0.15 -0.12 -0.55 8.42 7.88 3h1vX1 LYS 140 HA -0.02 0.08 0.32 -0.75 4.32 3.95 3h1vX1 LYS 140 HB2 0.06 -0.10 -0.02 -0.04 1.87 1.76 3h1vX1 LYS 140 HB3 0.09 0.05 -0.07 -0.04 1.79 1.82 3h1vX1 LYS 140 HG2 0.22 0.08 0.06 -0.04 1.46 1.78 3h1vX1 LYS 140 HG3 0.24 -0.09 -0.02 -0.04 1.46 1.54 3h1vX1 LYS 140 HD2 0.11 0.02 -0.10 -0.04 1.69 1.68 3h1vX1 LYS 140 HD3 0.16 0.19 -0.41 -0.04 1.68 1.58 3h1vX1 LYS 140 HE2 0.21 -0.06 -0.02 -0.04 2.99 3.08 3h1vX1 LYS 140 HE3 0.11 -0.05 -0.01 -0.04 2.99 2.99 3h1vX1 HIS 141 H -0.16 -0.00 -0.57 -0.55 8.41 7.13 3h1vX1 HIS 141 HA 0.04 0.16 0.53 -0.75 4.63 4.61 3h1vX1 HIS 141 HB2 0.02 0.01 0.06 -0.04 3.26 3.30 3h1vX1 HIS 141 HB3 0.02 -0.04 -0.00 -0.04 3.20 3.14 3h1vX1 HIS 141 HD2 0.00 -0.02 -0.21 -0.04 6.97 6.70 3h1vX1 HIS 141 HE1 -0.00 0.18 0.07 -0.04 7.75 7.95 3h1vX1 LYS 142 H -0.31 0.44 -0.21 -0.55 8.42 7.79 3h1vX1 LYS 142 HA -0.03 0.04 0.47 -0.75 4.32 4.04 3h1vX1 LYS 142 HB2 -0.16 0.08 0.09 -0.04 1.87 1.85 3h1vX1 LYS 142 HB3 -0.09 -0.03 -0.02 -0.04 1.79 1.61 3h1vX1 LYS 142 HG2 -0.12 -0.00 -0.06 -0.04 1.46 1.24 3h1vX1 LYS 142 HG3 -0.55 -0.02 0.04 -0.04 1.46 0.88 3h1vX1 LYS 142 HD2 -0.10 -0.01 -0.03 -0.04 1.69 1.51 3h1vX1 LYS 142 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.56 3h1vX1 LYS 142 HE2 -0.01 -0.00 0.00 -0.04 2.99 2.94 3h1vX1 LYS 142 HE3 -0.08 0.04 -0.01 -0.04 2.99 2.89 3h1vX1 LYS 143 H -0.00 0.13 0.12 -0.55 8.42 8.11 3h1vX1 LYS 143 HA 0.02 0.48 0.93 -0.75 4.32 5.00 3h1vX1 LYS 143 HB2 0.03 0.04 0.06 -0.04 1.87 1.96 3h1vX1 LYS 143 HB3 0.01 -0.06 0.19 -0.04 1.79 1.89 3h1vX1 LYS 143 HG2 0.01 -0.07 -0.23 -0.04 1.46 1.13 3h1vX1 LYS 143 HG3 0.04 0.12 -0.37 -0.04 1.46 1.22 3h1vX1 LYS 143 HD2 0.02 -0.05 -0.17 -0.04 1.69 1.45 3h1vX1 LYS 143 HD3 0.03 0.03 -0.06 -0.04 1.68 1.64 3h1vX1 LYS 143 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 3h1vX1 LYS 143 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 3h1vX1 LEU 144 H -0.03 0.23 -0.03 -0.55 8.37 7.99 3h1vX1 LEU 144 HA -0.10 0.22 0.69 -0.75 4.35 4.41 3h1vX1 LEU 144 HB2 -0.05 -0.07 -0.02 -0.04 1.64 1.47 3h1vX1 LEU 144 HB3 -0.10 0.11 0.09 -0.04 1.64 1.69 3h1vX1 LEU 144 HG -0.07 -0.10 -0.25 -0.04 1.64 1.18 3h1vX1 LEU 144 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.74 3h1vX1 LEU 144 HD23 -0.09 0.00 -0.15 -0.04 0.89 0.61 3h1vX1 PRO 145 HA 0.03 0.18 0.80 -0.51 4.44 4.93 3h1vX1 PRO 145 HB2 0.26 -0.02 -0.05 -0.04 2.28 2.43 3h1vX1 PRO 145 HB3 0.07 0.04 0.10 -0.04 2.02 2.18 3h1vX1 PRO 145 HG2 -0.88 0.05 0.08 -0.04 2.03 1.23 3h1vX1 PRO 145 HG3 -0.26 0.07 0.09 -0.04 2.03 1.89 3h1vX1 PRO 145 HD2 -0.32 0.21 0.39 -0.04 3.68 3.91 3h1vX1 PRO 145 HD3 -0.20 0.18 0.27 -0.04 3.65 3.86 3h1vX1 LEU 146 H 0.07 0.81 0.41 -0.55 8.37 9.11 3h1vX1 LEU 146 HA 0.09 0.29 1.04 -0.75 4.35 5.02 3h1vX1 LEU 146 HB2 0.04 0.03 -0.21 -0.04 1.64 1.46 3h1vX1 LEU 146 HB3 0.06 -0.10 -0.10 -0.04 1.64 1.47 3h1vX1 LEU 146 HG 0.07 0.09 -0.20 -0.04 1.64 1.55 3h1vX1 LEU 146 HD13 0.01 -0.01 -0.19 -0.04 0.93 0.70 3h1vX1 LEU 146 HD23 0.06 -0.04 -0.42 -0.04 0.89 0.44 3h1vX1 GLY 147 H 0.12 0.76 0.28 -0.55 8.43 9.05 3h1vX1 GLY 147 HA2 0.13 0.21 0.90 -0.51 4.01 4.74 3h1vX1 GLY 147 HA3 0.10 0.02 0.27 -0.51 4.01 3.88 3h1vX1 PHE 148 H 0.25 0.84 0.34 -0.55 8.34 9.22 3h1vX1 PHE 148 HA 0.14 0.13 0.99 -0.75 4.62 5.12 3h1vX1 PHE 148 HB2 0.11 0.03 -0.07 -0.04 3.15 3.18 3h1vX1 PHE 148 HB3 0.11 -0.03 0.21 -0.04 3.06 3.30 3h1vX1 PHE 148 HD2 0.13 0.03 -0.11 -0.04 7.28 7.29 3h1vX1 PHE 148 HE2 0.21 -0.06 -0.15 -0.04 7.38 7.34 3h1vX1 PHE 148 HZ 0.33 -0.03 -0.10 -0.04 7.32 7.48 3h1vX1 THR 149 H 0.23 0.63 0.17 -0.55 8.28 8.76 3h1vX1 THR 149 HA -0.01 0.32 0.81 -0.75 4.39 4.75 3h1vX1 THR 149 HB 0.07 -0.02 0.22 -0.04 4.32 4.55 3h1vX1 THR 149 HG23 -0.03 -0.04 -0.29 -0.04 1.22 0.82 3h1vX1 PHE 150 H -0.05 0.65 0.14 -0.55 8.34 8.53 3h1vX1 PHE 150 HA -0.25 0.25 0.89 -0.75 4.62 4.76 3h1vX1 PHE 150 HB2 -1.23 0.03 -0.21 -0.04 3.15 1.69 3h1vX1 PHE 150 HB3 -0.27 0.03 0.02 -0.04 3.06 2.80 3h1vX1 PHE 150 HD2 0.03 0.02 -0.11 -0.04 7.28 7.17 3h1vX1 PHE 150 HE2 0.13 0.01 -0.18 -0.04 7.38 7.30 3h1vX1 PHE 150 HZ -0.66 0.00 -0.15 -0.04 7.32 6.47 3h1vX1 SER 151 H -0.37 0.60 0.16 -0.55 8.46 8.31 3h1vX1 SER 151 HA -0.30 -0.10 0.37 -0.75 4.49 3.72 3h1vX1 SER 151 HB2 -0.62 0.09 0.27 -0.04 3.95 3.65 3h1vX1 SER 151 HB3 -0.40 -0.07 0.15 -0.04 3.93 3.57 3h1vX1 PHE 152 H -0.30 0.62 0.17 -0.55 8.34 8.28 3h1vX1 PHE 152 HA -0.15 0.09 0.63 -0.75 4.62 4.43 3h1vX1 PHE 152 HB2 -0.95 -0.00 -0.15 -0.04 3.15 2.01 3h1vX1 PHE 152 HB3 -0.25 0.20 0.08 -0.04 3.06 3.06 3h1vX1 PHE 152 HD2 -0.88 -0.10 -0.09 -0.04 7.28 6.17 3h1vX1 PHE 152 HE2 -0.33 0.11 -0.15 -0.04 7.38 6.97 3h1vX1 PHE 152 HZ -1.94 -0.00 -0.14 -0.04 7.32 5.19 3h1vX1 PRO 153 HA 0.05 0.04 0.69 -0.51 4.44 4.71 3h1vX1 PRO 153 HB2 0.05 0.10 0.03 -0.04 2.28 2.42 3h1vX1 PRO 153 HB3 0.06 -0.02 0.12 -0.04 2.02 2.14 3h1vX1 PRO 153 HG2 0.06 -0.07 0.21 -0.04 2.03 2.19 3h1vX1 PRO 153 HG3 0.09 0.06 0.06 -0.04 2.03 2.20 3h1vX1 PRO 153 HD2 0.18 0.34 0.27 -0.04 3.68 4.43 3h1vX1 PRO 153 HD3 0.09 0.02 0.13 -0.04 3.65 3.84 3h1vX1 VAL 154 H 0.09 0.20 0.19 -0.55 8.24 8.17 3h1vX1 VAL 154 HA 0.01 0.24 0.79 -0.75 4.13 4.41 3h1vX1 VAL 154 HB 0.09 -0.02 -0.02 -0.04 2.12 2.12 3h1vX1 VAL 154 HG13 -0.41 -0.00 -0.55 -0.04 0.97 -0.04 3h1vX1 VAL 154 HG23 0.19 -0.01 -0.44 -0.04 0.95 0.64 3h1vX1 ARG 155 H -0.01 0.38 0.12 -0.55 8.46 8.40 3h1vX1 ARG 155 HA 0.10 0.17 0.90 -0.75 4.34 4.75 3h1vX1 ARG 155 HB2 0.04 -0.00 0.11 -0.04 1.90 2.01 3h1vX1 ARG 155 HB3 0.01 -0.09 0.19 -0.04 1.80 1.86 3h1vX1 ARG 155 HG2 0.06 0.03 -0.12 -0.04 1.67 1.60 3h1vX1 ARG 155 HG3 0.09 0.08 0.08 -0.04 1.67 1.88 3h1vX1 ARG 155 HD2 0.05 -0.06 0.00 -0.04 3.22 3.16 3h1vX1 ARG 155 HD3 0.09 0.05 0.01 -0.04 3.22 3.33 3h1vX1 HIS 156 H 0.28 0.32 0.10 -0.55 8.41 8.56 3h1vX1 HIS 156 HA 0.02 0.05 0.94 -0.75 4.63 4.89 3h1vX1 HIS 156 HB2 0.28 0.14 0.00 -0.04 3.26 3.64 3h1vX1 HIS 156 HB3 0.12 -0.02 -0.07 -0.04 3.20 3.19 3h1vX1 HIS 156 HD2 0.06 0.20 0.05 -0.04 6.97 7.23 3h1vX1 HIS 156 HE1 0.04 0.25 0.02 -0.04 7.75 8.01 3h1vX1 GLU 157 H -0.05 0.41 0.34 -0.55 8.60 8.75 3h1vX1 GLU 157 HA -0.01 0.20 0.77 -0.75 4.29 4.49 3h1vX1 GLU 157 HB2 -0.04 0.03 0.05 -0.04 2.09 2.08 3h1vX1 GLU 157 HB3 -0.08 -0.10 0.02 -0.04 1.99 1.78 3h1vX1 GLU 157 HG2 -0.16 -0.00 -0.38 -0.04 2.34 1.75 3h1vX1 GLU 157 HG3 -0.08 0.04 0.06 -0.04 2.34 2.32 3h1vX1 ASP 158 H -0.14 0.38 0.40 -0.55 8.40 8.48 3h1vX1 ASP 158 HA -1.23 0.19 0.39 -0.75 4.63 3.22 3h1vX1 ASP 158 HB2 -0.25 0.07 -0.28 -0.04 2.71 2.20 3h1vX1 ASP 158 HB3 -0.15 -0.21 -0.01 -0.04 2.70 2.29 3h1vX1 ILE 159 H -0.11 0.24 0.18 -0.55 8.25 8.01 3h1vX1 ILE 159 HA 0.06 0.18 0.41 -0.75 4.18 4.08 3h1vX1 ILE 159 HB 0.04 0.07 0.19 -0.04 1.89 2.15 3h1vX1 ILE 159 HG12 0.00 0.05 0.05 -0.04 1.49 1.56 3h1vX1 ILE 159 HG13 0.03 -0.05 0.12 -0.04 1.21 1.25 3h1vX1 ILE 159 HG23 -0.01 0.03 0.05 -0.04 0.93 0.97 3h1vX1 ILE 159 HD13 -0.01 0.01 -0.02 -0.04 0.88 0.82 3h1vX1 ASP 160 H -0.02 -0.01 -0.50 -0.55 8.40 7.33 3h1vX1 ASP 160 HA 0.05 0.08 0.76 -0.75 4.63 4.77 3h1vX1 ASP 160 HB2 0.01 0.04 0.05 -0.04 2.71 2.77 3h1vX1 ASP 160 HB3 0.02 0.30 -0.21 -0.04 2.70 2.77 3h1vX1 LYS 161 H 0.03 0.63 -0.11 -0.55 8.42 8.42 3h1vX1 LYS 161 HA -0.07 0.02 0.88 -0.75 4.32 4.40 3h1vX1 LYS 161 HB2 -0.06 0.08 -0.35 -0.04 1.87 1.50 3h1vX1 LYS 161 HB3 -0.09 -0.12 0.03 -0.04 1.79 1.57 3h1vX1 LYS 161 HG2 -0.07 0.03 -0.09 -0.04 1.46 1.29 3h1vX1 LYS 161 HG3 -0.08 -0.09 -0.01 -0.04 1.46 1.24 3h1vX1 LYS 161 HD2 -0.06 0.04 -0.02 -0.04 1.69 1.61 3h1vX1 LYS 161 HD3 -0.06 0.04 -0.08 -0.04 1.68 1.54 3h1vX1 LYS 161 HE2 -0.05 0.03 -0.03 -0.04 2.99 2.90 3h1vX1 LYS 161 HE3 -0.06 -0.07 -0.00 -0.04 2.99 2.82 3h1vX1 GLY 162 H -0.14 0.07 0.21 -0.55 8.43 8.02 3h1vX1 GLY 162 HA2 -0.14 0.22 0.58 -0.51 4.01 4.15 3h1vX1 GLY 162 HA3 -0.38 0.12 0.28 -0.51 4.01 3.52 3h1vX1 ILE 163 H -0.10 0.60 0.19 -0.55 8.25 8.39 3h1vX1 ILE 163 HA -0.13 0.18 0.55 -0.75 4.18 4.02 3h1vX1 ILE 163 HB -0.08 0.03 -0.49 -0.04 1.89 1.30 3h1vX1 ILE 163 HG12 -0.04 0.08 0.05 -0.04 1.49 1.54 3h1vX1 ILE 163 HG13 -0.05 -0.12 -0.18 -0.04 1.21 0.82 3h1vX1 ILE 163 HG23 -0.07 -0.01 -0.19 -0.04 0.93 0.61 3h1vX1 ILE 163 HD13 -0.03 0.02 -0.09 -0.04 0.88 0.73 3h1vX1 LEU 164 H -0.16 0.42 0.20 -0.55 8.37 8.29 3h1vX1 LEU 164 HA -0.03 0.14 0.55 -0.75 4.35 4.27 3h1vX1 LEU 164 HB2 -0.13 -0.03 -0.02 -0.04 1.64 1.43 3h1vX1 LEU 164 HB3 -0.27 0.13 0.09 -0.04 1.64 1.55 3h1vX1 LEU 164 HG -0.41 -0.04 -0.63 -0.04 1.64 0.52 3h1vX1 LEU 164 HD13 -0.29 0.07 -0.23 -0.04 0.93 0.43 3h1vX1 LEU 164 HD23 -1.33 -0.01 -0.45 -0.04 0.89 -0.94 3h1vX1 LEU 165 H -0.03 0.70 0.34 -0.55 8.37 8.83 3h1vX1 LEU 165 HA -0.04 0.10 0.52 -0.75 4.35 4.18 3h1vX1 LEU 165 HB2 0.02 -0.04 0.07 -0.04 1.64 1.65 3h1vX1 LEU 165 HB3 0.01 0.05 0.01 -0.04 1.64 1.67 3h1vX1 LEU 165 HG -0.00 -0.08 -0.05 -0.04 1.64 1.47 3h1vX1 LEU 165 HD13 0.04 -0.00 -0.18 -0.04 0.93 0.75 3h1vX1 LEU 165 HD23 0.00 0.03 -0.02 -0.04 0.89 0.86 3h1vX1 ASN 166 H -0.05 0.25 0.13 -0.55 8.53 8.31 3h1vX1 ASN 166 HA -0.11 0.01 0.28 -0.75 4.76 4.19 3h1vX1 ASN 166 HB2 0.10 0.06 0.14 -0.04 2.88 3.13 3h1vX1 ASN 166 HB3 0.03 0.20 0.19 -0.04 2.79 3.18 3h1vX1 ASN 166 HD21 0.10 -0.11 -0.07 -0.04 7.03 6.91 3h1vX1 ASN 166 HD22 0.14 0.28 -0.11 -0.04 7.74 8.00 3h1vX1 TRP 167 H 0.19 0.18 0.07 -0.55 7.97 7.85 3h1vX1 TRP 167 HA 0.02 0.04 0.73 -0.75 4.62 4.66 3h1vX1 TRP 167 HB2 0.09 0.14 -0.03 -0.04 3.23 3.39 3h1vX1 TRP 167 HB3 0.13 -0.01 -0.06 -0.04 3.23 3.25 3h1vX1 TRP 167 HD1 0.05 0.11 -0.18 -0.04 7.22 7.16 3h1vX1 TRP 167 HE1 0.06 0.34 -0.10 -0.04 10.20 10.46 3h1vX1 TRP 167 HE3 -1.73 0.00 -0.01 -0.04 7.59 5.81 3h1vX1 TRP 167 HZ2 0.15 0.00 -0.10 -0.04 7.44 7.45 3h1vX1 TRP 167 HZ3 -1.87 -0.02 -0.13 -0.04 7.13 5.07 3h1vX1 TRP 167 HH2 0.16 0.01 -0.11 -0.04 7.19 7.22 3h1vX1 THR 168 H 0.80 0.19 0.21 -0.55 8.28 8.93 3h1vX1 THR 168 HA 0.29 0.24 0.63 -0.75 4.39 4.79 3h1vX1 THR 168 HB 0.20 -0.10 0.16 -0.04 4.32 4.55 3h1vX1 THR 168 HG23 0.18 0.03 -0.15 -0.04 1.22 1.24 3h1vX1 LYS 169 H 0.29 0.20 0.12 -0.55 8.42 8.48 3h1vX1 LYS 169 HA 0.24 0.05 0.31 -0.75 4.32 4.16 3h1vX1 LYS 169 HB2 0.27 0.21 -0.25 -0.04 1.87 2.06 3h1vX1 LYS 169 HB3 0.14 -0.01 0.15 -0.04 1.79 2.03 3h1vX1 LYS 169 HG2 0.13 0.00 -0.06 -0.04 1.46 1.50 3h1vX1 LYS 169 HG3 0.13 -0.06 -0.10 -0.04 1.46 1.39 3h1vX1 LYS 169 HD2 -0.01 0.00 -0.00 -0.04 1.69 1.64 3h1vX1 LYS 169 HD3 -0.04 -0.21 -0.03 -0.04 1.68 1.37 3h1vX1 LYS 169 HE2 -0.29 -0.04 -0.01 -0.04 2.99 2.60 3h1vX1 LYS 169 HE3 -0.34 0.11 0.00 -0.04 2.99 2.72 3h1vX1 GLY 170 H 0.25 0.05 -0.38 -0.55 8.43 7.80 3h1vX1 GLY 170 HA2 0.11 0.02 0.22 -0.51 4.01 3.85 3h1vX1 GLY 170 HA3 0.06 0.11 0.52 -0.51 4.01 4.19 3h1vX1 PHE 171 H 0.45 0.32 -0.30 -0.55 8.34 8.25 3h1vX1 PHE 171 HA -0.32 0.12 0.62 -0.75 4.62 4.28 3h1vX1 PHE 171 HB2 -0.08 0.04 0.09 -0.04 3.15 3.16 3h1vX1 PHE 171 HB3 -1.61 -0.06 -0.02 -0.04 3.06 1.34 3h1vX1 PHE 171 HD2 -0.66 0.02 -0.07 -0.04 7.28 6.53 3h1vX1 PHE 171 HE2 -0.06 -0.05 -0.24 -0.04 7.38 6.99 3h1vX1 PHE 171 HZ 0.09 0.27 -0.11 -0.04 7.32 7.53 3h1vX1 LYS 172 H -0.60 0.03 0.19 -0.55 8.42 7.48 3h1vX1 LYS 172 HA -0.01 0.11 0.65 -0.75 4.32 4.31 3h1vX1 LYS 172 HB2 -0.09 0.05 -0.48 -0.04 1.87 1.30 3h1vX1 LYS 172 HB3 -0.09 0.01 -0.05 -0.04 1.79 1.63 3h1vX1 LYS 172 HG2 0.03 -0.03 0.04 -0.04 1.46 1.46 3h1vX1 LYS 172 HG3 0.09 -0.01 0.10 -0.04 1.46 1.60 3h1vX1 LYS 172 HD2 0.05 0.01 -0.13 -0.04 1.69 1.58 3h1vX1 LYS 172 HD3 0.01 -0.03 -0.05 -0.04 1.68 1.57 3h1vX1 LYS 172 HE2 0.05 -0.06 0.04 -0.04 2.99 2.97 3h1vX1 LYS 172 HE3 0.09 0.03 0.06 -0.04 2.99 3.12 3h1vX1 ALA 173 H -0.61 -0.10 0.11 -0.55 8.40 7.26 3h1vX1 ALA 173 HA -0.02 0.10 0.02 -0.75 4.34 3.69 3h1vX1 ALA 173 HB3 0.08 -0.02 -0.17 -0.04 1.41 1.26 3h1vX1 SER 174 H 0.09 0.32 0.07 -0.55 8.46 8.40 3h1vX1 SER 174 HA 0.17 0.13 0.47 -0.75 4.49 4.50 3h1vX1 SER 174 HB2 0.07 -0.05 0.15 -0.04 3.95 4.09 3h1vX1 SER 174 HB3 0.07 0.15 0.17 -0.04 3.93 4.27 3h1vX1 GLY 175 H 0.11 0.21 0.20 -0.55 8.43 8.40 3h1vX1 GLY 175 HA2 0.06 0.14 0.34 -0.51 4.01 4.03 3h1vX1 GLY 175 HA3 0.06 0.02 0.37 -0.51 4.01 3.95 3h1vX1 ALA 176 H 0.20 0.12 -0.35 -0.55 8.40 7.82 3h1vX1 ALA 176 HA 0.05 0.15 0.78 -0.75 4.34 4.57 3h1vX1 ALA 176 HB3 0.35 -0.01 -0.06 -0.04 1.41 1.64 3h1vX1 GLU 177 H -0.01 -0.01 0.03 -0.55 8.60 8.06 3h1vX1 GLU 177 HA -0.22 0.09 0.38 -0.75 4.29 3.78 3h1vX1 GLU 177 HB2 -0.01 -0.04 0.08 -0.04 2.09 2.07 3h1vX1 GLU 177 HB3 -0.07 0.23 -0.03 -0.04 1.99 2.08 3h1vX1 GLU 177 HG2 -0.37 -0.07 -0.18 -0.04 2.34 1.68 3h1vX1 GLU 177 HG3 -0.08 -0.06 0.01 -0.04 2.34 2.17 3h1vX1 GLY 178 H -0.10 0.66 0.23 -0.55 8.43 8.67 3h1vX1 GLY 178 HA2 -0.05 0.03 0.29 -0.51 4.01 3.78 3h1vX1 GLY 178 HA3 -0.04 0.11 0.54 -0.51 4.01 4.10 3h1vX1 ASN 179 H -0.11 0.33 -0.15 -0.55 8.53 8.06 3h1vX1 ASN 179 HA -0.07 0.16 0.73 -0.75 4.76 4.82 3h1vX1 ASN 179 HB2 -0.10 0.18 -0.07 -0.04 2.88 2.86 3h1vX1 ASN 179 HB3 -0.11 -0.01 -0.10 -0.04 2.79 2.53 3h1vX1 ASN 179 HD21 -0.01 -0.04 -0.18 -0.04 7.03 6.76 3h1vX1 ASN 179 HD22 -0.03 -0.04 -0.46 -0.04 7.74 7.17 3h1vX1 ASN 180 H -0.10 0.18 0.14 -0.55 8.53 8.21 3h1vX1 ASN 180 HA -0.13 0.12 0.28 -0.75 4.76 4.27 3h1vX1 ASN 180 HB2 -0.09 0.12 0.10 -0.04 2.88 2.98 3h1vX1 ASN 180 HB3 -0.10 0.01 0.18 -0.04 2.79 2.83 3h1vX1 ASN 180 HD21 -0.07 0.14 0.06 -0.04 7.03 7.12 3h1vX1 ASN 180 HD22 -0.07 0.10 0.04 -0.04 7.74 7.76 3h1vX1 VAL 181 H -0.20 0.60 0.41 -0.55 8.24 8.50 3h1vX1 VAL 181 HA -0.34 0.10 0.48 -0.75 4.13 3.61 3h1vX1 VAL 181 HB -0.33 0.07 0.07 -0.04 2.12 1.88 3h1vX1 VAL 181 HG13 -0.54 -0.01 -0.19 -0.04 0.97 0.19 3h1vX1 VAL 181 HG23 -0.42 0.00 0.02 -0.04 0.95 0.51 3h1vX1 VAL 182 H -0.13 0.09 0.01 -0.55 8.24 7.66 3h1vX1 VAL 182 HA -0.04 0.13 0.58 -0.75 4.13 4.04 3h1vX1 VAL 182 HB -0.05 0.02 0.10 -0.04 2.12 2.15 3h1vX1 VAL 182 HG13 -0.02 0.03 -0.10 -0.04 0.97 0.84 3h1vX1 VAL 182 HG23 0.04 0.01 -0.14 -0.04 0.95 0.82 3h1vX1 GLY 183 H -0.14 0.03 -0.38 -0.55 8.43 7.39 3h1vX1 GLY 183 HA2 -0.10 0.10 0.38 -0.51 4.01 3.88 3h1vX1 GLY 183 HA3 -0.12 0.08 0.26 -0.51 4.01 3.72 3h1vX1 LEU 184 H -0.27 0.40 -0.09 -0.55 8.37 7.86 3h1vX1 LEU 184 HA -0.26 -0.01 0.29 -0.75 4.35 3.62 3h1vX1 LEU 184 HB2 -0.99 0.11 0.05 -0.04 1.64 0.76 3h1vX1 LEU 184 HB3 -0.78 -0.05 -0.04 -0.04 1.64 0.72 3h1vX1 LEU 184 HG -0.28 0.31 0.10 -0.04 1.64 1.73 3h1vX1 LEU 184 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 3h1vX1 LEU 184 HD23 -0.13 -0.03 -0.00 -0.04 0.89 0.69 3h1vX1 LEU 185 H -0.38 0.32 -0.65 -0.55 8.37 7.12 3h1vX1 LEU 185 HA -0.01 0.04 0.59 -0.75 4.35 4.21 3h1vX1 LEU 185 HB2 -0.04 -0.04 0.02 -0.04 1.64 1.53 3h1vX1 LEU 185 HB3 -0.12 0.14 0.10 -0.04 1.64 1.72 3h1vX1 LEU 185 HG -0.04 0.03 -0.25 -0.04 1.64 1.34 3h1vX1 LEU 185 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 3h1vX1 LEU 185 HD23 -0.32 -0.01 -0.11 -0.04 0.89 0.41 3h1vX1 ARG 186 H -0.11 0.59 0.12 -0.55 8.46 8.51 3h1vX1 ARG 186 HA -0.02 0.05 0.53 -0.75 4.34 4.15 3h1vX1 ARG 186 HB2 -0.06 0.08 0.20 -0.04 1.90 2.08 3h1vX1 ARG 186 HB3 -0.04 -0.04 0.08 -0.04 1.80 1.77 3h1vX1 ARG 186 HG2 -0.01 0.02 0.10 -0.04 1.67 1.75 3h1vX1 ARG 186 HG3 -0.02 -0.02 0.06 -0.04 1.67 1.65 3h1vX1 ARG 186 HD2 -0.04 -0.02 -0.04 -0.04 3.22 3.08 3h1vX1 ARG 186 HD3 -0.02 -0.01 0.03 -0.04 3.22 3.17 3h1vX1 ASP 187 H -0.09 0.49 -0.28 -0.55 8.40 7.97 3h1vX1 ASP 187 HA -0.05 0.07 0.68 -0.75 4.63 4.57 3h1vX1 ASP 187 HB2 -0.08 0.11 0.03 -0.04 2.71 2.74 3h1vX1 ASP 187 HB3 -0.04 -0.02 -0.03 -0.04 2.70 2.56 3h1vX1 ALA 188 H -0.03 0.37 -0.15 -0.55 8.40 8.04 3h1vX1 ALA 188 HA -0.01 0.03 0.23 -0.75 4.34 3.84 3h1vX1 ALA 188 HB3 0.07 0.01 -0.05 -0.04 1.41 1.40 3h1vX1 ILE 189 H -0.04 0.09 -0.78 -0.55 8.25 6.97 3h1vX1 ILE 189 HA -0.23 0.07 0.51 -0.75 4.18 3.78 3h1vX1 ILE 189 HB -0.00 0.01 0.12 -0.04 1.89 1.98 3h1vX1 ILE 189 HG12 0.32 -0.02 -0.08 -0.04 1.49 1.67 3h1vX1 ILE 189 HG13 0.09 0.04 -0.10 -0.04 1.21 1.20 3h1vX1 ILE 189 HG23 0.00 0.02 -0.09 -0.04 0.93 0.82 3h1vX1 ILE 189 HD13 0.14 -0.03 -0.13 -0.04 0.88 0.82 3h1vX1 LYS 190 H -0.06 0.40 -0.04 -0.55 8.42 8.16 3h1vX1 LYS 190 HA -0.07 0.08 0.63 -0.75 4.32 4.21 3h1vX1 LYS 190 HB2 -0.04 0.10 0.25 -0.04 1.87 2.13 3h1vX1 LYS 190 HB3 -0.05 -0.04 0.29 -0.04 1.79 1.96 3h1vX1 LYS 190 HG2 -0.03 -0.04 0.04 -0.04 1.46 1.38 3h1vX1 LYS 190 HG3 -0.04 -0.01 -0.07 -0.04 1.46 1.29 3h1vX1 LYS 190 HD2 -0.04 0.03 0.09 -0.04 1.69 1.73 3h1vX1 LYS 190 HD3 -0.03 0.00 0.05 -0.04 1.68 1.67 3h1vX1 LYS 190 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.91 3h1vX1 LYS 190 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.91 3h1vX1 ARG 191 H -0.05 0.57 0.09 -0.55 8.46 8.52 3h1vX1 ARG 191 HA -0.05 0.01 0.26 -0.75 4.34 3.81 3h1vX1 ARG 191 HB2 -0.03 0.02 -0.00 -0.04 1.90 1.85 3h1vX1 ARG 191 HB3 -0.03 -0.05 0.15 -0.04 1.80 1.83 3h1vX1 ARG 191 HG2 -0.03 -0.03 0.02 -0.04 1.67 1.60 3h1vX1 ARG 191 HG3 -0.04 0.03 0.11 -0.04 1.67 1.73 3h1vX1 ARG 191 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.11 3h1vX1 ARG 191 HD3 -0.02 -0.05 -0.03 -0.04 3.22 3.08 3h1vX1 ARG 192 H -0.13 0.31 -1.28 -0.55 8.46 6.81 3h1vX1 ARG 192 HA -0.09 0.12 0.89 -0.75 4.34 4.51 3h1vX1 ARG 192 HB2 -0.30 0.21 0.03 -0.04 1.90 1.80 3h1vX1 ARG 192 HB3 -0.31 -0.18 -0.01 -0.04 1.80 1.25 3h1vX1 ARG 192 HG2 -0.09 0.07 -0.09 -0.04 1.67 1.52 3h1vX1 ARG 192 HG3 -0.14 -0.09 -0.10 -0.04 1.67 1.31 3h1vX1 ARG 192 HD2 -0.07 0.02 0.16 -0.04 3.22 3.29 3h1vX1 ARG 192 HD3 -0.04 -0.05 0.03 -0.04 3.22 3.11 3h1vX1 GLY 193 H -0.14 0.60 0.22 -0.55 8.43 8.57 3h1vX1 GLY 193 HA2 -0.08 0.02 0.42 -0.51 4.01 3.85 3h1vX1 GLY 193 HA3 -0.07 -0.02 0.33 -0.51 4.01 3.74 3h1vX1 ASP 194 H -0.13 0.85 -0.02 -0.55 8.40 8.56 3h1vX1 ASP 194 HA -0.02 -0.05 0.40 -0.75 4.63 4.21 3h1vX1 ASP 194 HB2 -0.41 -0.01 0.01 -0.04 2.71 2.25 3h1vX1 ASP 194 HB3 0.04 -0.04 0.04 -0.04 2.70 2.71 3h1vX1 PHE 195 H -0.71 0.05 -0.07 -0.55 8.34 7.06 3h1vX1 PHE 195 HA 0.01 0.27 0.84 -0.75 4.62 4.99 3h1vX1 PHE 195 HB2 0.01 0.13 0.04 -0.04 3.15 3.28 3h1vX1 PHE 195 HB3 0.01 -0.00 0.00 -0.04 3.06 3.03 3h1vX1 PHE 195 HD2 0.01 -0.03 -0.28 -0.04 7.28 6.94 3h1vX1 PHE 195 HE2 0.01 -0.03 -0.06 -0.04 7.38 7.25 3h1vX1 PHE 195 HZ 0.00 -0.01 0.02 -0.04 7.32 7.29 3h1vX1 GLU 196 H 0.20 0.33 0.14 -0.55 8.60 8.72 3h1vX1 GLU 196 HA 0.11 0.13 0.68 -0.75 4.29 4.45 3h1vX1 GLU 196 HB2 0.06 -0.00 0.08 -0.04 2.09 2.19 3h1vX1 GLU 196 HB3 0.05 -0.03 0.01 -0.04 1.99 1.98 3h1vX1 GLU 196 HG2 0.01 0.16 -0.19 -0.04 2.34 2.29 3h1vX1 GLU 196 HG3 0.04 0.03 -0.13 -0.04 2.34 2.24 3h1vX1 MET 197 H 0.14 0.25 0.08 -0.55 8.47 8.39 3h1vX1 MET 197 HA 0.06 0.19 0.71 -0.75 4.52 4.72 3h1vX1 MET 197 HB2 0.16 -0.06 -0.05 -0.04 2.15 2.16 3h1vX1 MET 197 HB3 0.06 0.00 -0.22 -0.04 2.03 1.83 3h1vX1 MET 197 HG2 0.03 0.01 -0.27 -0.04 2.63 2.35 3h1vX1 MET 197 HG3 -0.03 -0.07 -0.15 -0.04 2.56 2.27 3h1vX1 MET 197 HE3 -0.05 -0.09 -0.04 -0.04 2.10 1.88 3h1vX1 ASP 198 H 0.03 0.48 0.03 -0.55 8.40 8.38 3h1vX1 ASP 198 HA 0.03 0.15 0.96 -0.75 4.63 5.02 3h1vX1 ASP 198 HB2 0.02 -0.03 0.08 -0.04 2.71 2.74 3h1vX1 ASP 198 HB3 0.02 0.02 -0.04 -0.04 2.70 2.67 3h1vX1 VAL 199 H 0.03 0.21 0.07 -0.55 8.24 8.00 3h1vX1 VAL 199 HA 0.06 0.12 0.74 -0.75 4.13 4.29 3h1vX1 VAL 199 HB 0.02 0.01 0.15 -0.04 2.12 2.25 3h1vX1 VAL 199 HG13 0.07 -0.00 -0.14 -0.04 0.97 0.85 3h1vX1 VAL 199 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 3h1vX1 VAL 200 H 0.07 0.47 0.34 -0.55 8.24 8.57 3h1vX1 VAL 200 HA 0.04 0.13 0.69 -0.75 4.13 4.23 3h1vX1 VAL 200 HB 0.05 0.02 -0.03 -0.04 2.12 2.12 3h1vX1 VAL 200 HG13 0.05 0.01 -0.13 -0.04 0.97 0.86 3h1vX1 VAL 200 HG23 0.11 0.02 -0.03 -0.04 0.95 1.01 3h1vX1 ALA 201 H 0.09 0.30 0.19 -0.55 8.40 8.43 3h1vX1 ALA 201 HA 0.07 0.35 0.63 -0.75 4.34 4.63 3h1vX1 ALA 201 HB3 0.04 0.01 -0.11 -0.04 1.41 1.31 3h1vX1 MET 202 H 0.13 0.74 0.33 -0.55 8.47 9.11 3h1vX1 MET 202 HA 0.16 0.23 0.88 -0.75 4.52 5.03 3h1vX1 MET 202 HB2 0.15 -0.06 0.01 -0.04 2.15 2.21 3h1vX1 MET 202 HB3 0.16 0.03 0.06 -0.04 2.03 2.23 3h1vX1 MET 202 HG2 0.14 -0.03 -0.34 -0.04 2.63 2.36 3h1vX1 MET 202 HG3 0.01 0.16 0.01 -0.04 2.56 2.70 3h1vX1 MET 202 HE3 -0.19 -0.00 -0.19 -0.04 2.10 1.68 3h1vX1 VAL 203 H 0.07 0.45 0.15 -0.55 8.24 8.35 3h1vX1 VAL 203 HA 0.04 0.21 0.82 -0.75 4.13 4.45 3h1vX1 VAL 203 HB -0.02 -0.11 -0.01 -0.04 2.12 1.94 3h1vX1 VAL 203 HG13 -0.02 0.03 -0.20 -0.04 0.97 0.75 3h1vX1 VAL 203 HG23 0.01 -0.01 -0.22 -0.04 0.95 0.69 3h1vX1 ASN 204 H -0.00 0.15 0.12 -0.55 8.53 8.25 3h1vX1 ASN 204 HA -0.04 0.26 0.57 -0.75 4.76 4.79 3h1vX1 ASN 204 HB2 0.02 0.23 0.13 -0.04 2.88 3.21 3h1vX1 ASN 204 HB3 -0.04 -0.09 0.12 -0.04 2.79 2.73 3h1vX1 ASN 204 HD21 -0.13 -0.05 -0.12 -0.04 7.03 6.69 3h1vX1 ASN 204 HD22 -0.08 0.33 0.14 -0.04 7.74 8.09 3h1vX1 ASP 205 H -0.11 0.19 -0.07 -0.55 8.40 7.86 3h1vX1 ASP 205 HA -0.05 0.14 0.51 -0.75 4.63 4.47 3h1vX1 ASP 205 HB2 -0.07 -0.01 -0.15 -0.04 2.71 2.43 3h1vX1 ASP 205 HB3 -0.08 0.08 -0.04 -0.04 2.70 2.61 3h1vX1 THR 206 H -0.10 0.08 -0.38 -0.55 8.28 7.33 3h1vX1 THR 206 HA -0.10 0.07 -0.02 -0.75 4.39 3.59 3h1vX1 THR 206 HB -0.14 0.12 -0.20 -0.04 4.32 4.06 3h1vX1 THR 206 HG23 -0.19 -0.02 -0.31 -0.04 1.22 0.66 3h1vX1 VAL 207 H -0.07 -0.01 -0.36 -0.55 8.24 7.25 3h1vX1 VAL 207 HA -0.07 0.05 0.19 -0.75 4.13 3.54 3h1vX1 VAL 207 HB -0.05 0.07 0.06 -0.04 2.12 2.16 3h1vX1 VAL 207 HG13 -0.08 0.05 -0.15 -0.04 0.97 0.76 3h1vX1 VAL 207 HG23 -0.09 -0.01 -0.05 -0.04 0.95 0.76 3h1vX1 ALA 208 H -0.04 0.50 -0.31 -0.55 8.40 8.00 3h1vX1 ALA 208 HA -0.02 0.05 0.15 -0.75 4.34 3.77 3h1vX1 ALA 208 HB3 -0.02 0.04 -0.06 -0.04 1.41 1.33 3h1vX1 THR 209 H -0.04 0.50 -0.46 -0.55 8.28 7.73 3h1vX1 THR 209 HA -0.01 -0.09 0.17 -0.75 4.39 3.70 3h1vX1 THR 209 HB -0.04 0.14 -0.03 -0.04 4.32 4.34 3h1vX1 THR 209 HG23 -0.02 -0.02 -0.46 -0.04 1.22 0.68 3h1vX1 MET 210 H -0.02 0.38 -0.19 -0.55 8.47 8.08 3h1vX1 MET 210 HA 0.02 0.02 0.35 -0.75 4.52 4.16 3h1vX1 MET 210 HB2 -0.01 -0.10 -0.46 -0.04 2.15 1.54 3h1vX1 MET 210 HB3 -0.03 0.04 -0.09 -0.04 2.03 1.92 3h1vX1 MET 210 HG2 0.03 0.10 -0.61 -0.04 2.63 2.11 3h1vX1 MET 210 HG3 0.04 0.00 -0.51 -0.04 2.56 2.06 3h1vX1 MET 210 HE3 -0.09 -0.01 -0.19 -0.04 2.10 1.77 3h1vX1 ILE 211 H -0.01 0.49 -0.19 -0.55 8.25 7.98 3h1vX1 ILE 211 HA 0.02 0.06 0.37 -0.75 4.18 3.88 3h1vX1 ILE 211 HB -0.03 -0.01 0.02 -0.04 1.89 1.83 3h1vX1 ILE 211 HG12 -0.09 0.05 -0.09 -0.04 1.49 1.32 3h1vX1 ILE 211 HG13 -0.08 -0.03 -0.08 -0.04 1.21 0.98 3h1vX1 ILE 211 HG23 -0.03 0.02 -0.16 -0.04 0.93 0.72 3h1vX1 ILE 211 HD13 -0.07 0.02 -0.21 -0.04 0.88 0.59 3h1vX1 SER 212 H 0.02 0.74 -0.23 -0.55 8.46 8.44 3h1vX1 SER 212 HA 0.05 0.05 0.10 -0.75 4.49 3.93 3h1vX1 SER 212 HB2 0.04 -0.01 -0.04 -0.04 3.95 3.90 3h1vX1 SER 212 HB3 0.02 0.00 0.04 -0.04 3.93 3.95 3h1vX1 CYS 213 H 0.08 0.41 -0.45 -0.55 8.50 7.99 3h1vX1 CYS 213 HA 0.08 0.08 0.80 -0.75 4.58 4.79 3h1vX1 CYS 213 HB2 0.06 0.13 -0.04 -0.04 2.97 3.08 3h1vX1 CYS 213 HB3 0.04 -0.06 -0.00 -0.04 2.97 2.91 3h1vX1 TYR 214 H 0.21 0.50 -0.18 -0.55 8.29 8.27 3h1vX1 TYR 214 HA 0.09 0.24 0.21 -0.75 4.56 4.34 3h1vX1 TYR 214 HB2 0.03 0.08 0.06 -0.04 3.06 3.19 3h1vX1 TYR 214 HB3 0.04 0.03 0.07 -0.04 2.98 3.08 3h1vX1 TYR 214 HD2 0.01 0.16 -0.11 -0.04 7.15 7.17 3h1vX1 TYR 214 HE2 -0.16 0.07 -0.03 -0.04 6.85 6.69 3h1vX1 TYR 215 H 0.28 0.19 -0.33 -0.55 8.29 7.88 3h1vX1 TYR 215 HA 0.16 0.06 0.28 -0.75 4.56 4.31 3h1vX1 TYR 215 HB2 0.11 0.10 -0.02 -0.04 3.06 3.20 3h1vX1 TYR 215 HB3 0.09 -0.01 -0.01 -0.04 2.98 3.01 3h1vX1 TYR 215 HD2 0.11 0.02 -0.19 -0.04 7.15 7.05 3h1vX1 TYR 215 HE2 0.11 -0.16 -0.14 -0.04 6.85 6.61 3h1vX1 GLU 216 H 0.08 0.17 -0.25 -0.55 8.60 8.05 3h1vX1 GLU 216 HA -0.28 0.05 0.40 -0.75 4.29 3.71 3h1vX1 GLU 216 HB2 0.02 -0.01 0.09 -0.04 2.09 2.16 3h1vX1 GLU 216 HB3 -0.04 0.01 0.00 -0.04 1.99 1.93 3h1vX1 GLU 216 HG2 -0.02 -0.03 0.03 -0.04 2.34 2.28 3h1vX1 GLU 216 HG3 -0.10 0.00 0.09 -0.04 2.34 2.29 3h1vX1 ASP 217 H -0.11 0.32 -0.73 -0.55 8.40 7.32 3h1vX1 ASP 217 HA -0.23 0.02 0.68 -0.75 4.63 4.35 3h1vX1 ASP 217 HB2 -0.08 0.07 -0.38 -0.04 2.71 2.28 3h1vX1 ASP 217 HB3 -0.06 0.02 -0.06 -0.04 2.70 2.56 3h1vX1 HIS 218 H -0.39 0.18 0.09 -0.55 8.41 7.74 3h1vX1 HIS 218 HA -1.34 0.20 0.48 -0.75 4.63 3.22 3h1vX1 HIS 218 HB2 -0.19 -0.03 0.07 -0.04 3.26 3.06 3h1vX1 HIS 218 HB3 -0.26 -0.01 0.13 -0.04 3.20 3.02 3h1vX1 HIS 218 HD2 -0.07 -0.03 0.03 -0.04 6.97 6.85 3h1vX1 HIS 218 HE1 -0.02 -0.02 -0.02 -0.04 7.75 7.64 3h1vX1 GLN 219 H -0.09 0.02 -0.42 -0.55 8.47 7.44 3h1vX1 GLN 219 HA 0.04 0.21 0.65 -0.75 4.36 4.51 3h1vX1 GLN 219 HB2 -0.04 -0.04 -0.08 -0.04 2.15 1.96 3h1vX1 GLN 219 HB3 -0.01 0.06 0.08 -0.04 2.02 2.10 3h1vX1 GLN 219 HG2 0.00 0.08 -0.06 -0.04 2.40 2.38 3h1vX1 GLN 219 HG3 -0.04 -0.10 -0.09 -0.04 2.39 2.12 3h1vX1 GLN 219 HE21 -0.03 -0.00 -0.10 -0.04 6.97 6.79 3h1vX1 GLN 219 HE22 -0.04 -0.05 -0.18 -0.04 7.69 7.37 3h1vX1 CYS 220 H -0.01 0.50 -0.41 -0.55 8.50 8.03 3h1vX1 CYS 220 HA 0.03 0.11 0.42 -0.75 4.58 4.38 3h1vX1 CYS 220 HB2 0.03 -0.05 -0.11 -0.04 2.97 2.79 3h1vX1 CYS 220 HB3 0.14 0.11 -0.02 -0.04 2.97 3.16 3h1vX1 GLU 221 H 0.05 0.39 0.39 -0.55 8.60 8.88 3h1vX1 GLU 221 HA 0.06 0.15 0.77 -0.75 4.29 4.51 3h1vX1 GLU 221 HB2 0.06 0.07 0.06 -0.04 2.09 2.24 3h1vX1 GLU 221 HB3 0.05 -0.16 0.20 -0.04 1.99 2.03 3h1vX1 GLU 221 HG2 0.13 0.06 -0.25 -0.04 2.34 2.23 3h1vX1 GLU 221 HG3 0.12 0.08 -0.52 -0.04 2.34 1.98 3h1vX1 VAL 222 H 0.03 0.34 0.27 -0.55 8.24 8.33 3h1vX1 VAL 222 HA 0.05 0.20 0.91 -0.75 4.13 4.54 3h1vX1 VAL 222 HB 0.01 -0.04 0.05 -0.04 2.12 2.10 3h1vX1 VAL 222 HG13 0.04 0.01 -0.11 -0.04 0.97 0.87 3h1vX1 VAL 222 HG23 0.05 0.01 -0.18 -0.04 0.95 0.79 3h1vX1 GLY 223 H -0.03 0.53 0.26 -0.55 8.43 8.64 3h1vX1 GLY 223 HA2 -0.03 0.30 0.88 -0.51 4.01 4.65 3h1vX1 GLY 223 HA3 -0.05 0.01 0.24 -0.51 4.01 3.70 3h1vX1 MET 224 H -0.06 0.59 0.36 -0.55 8.47 8.81 3h1vX1 MET 224 HA -0.19 0.15 1.20 -0.75 4.52 4.92 3h1vX1 MET 224 HB2 0.04 0.04 -0.19 -0.04 2.15 2.00 3h1vX1 MET 224 HB3 -0.02 -0.00 0.02 -0.04 2.03 1.98 3h1vX1 MET 224 HG2 0.02 -0.06 -0.38 -0.04 2.63 2.17 3h1vX1 MET 224 HG3 0.00 0.05 0.03 -0.04 2.56 2.59 3h1vX1 MET 224 HE3 -0.15 -0.01 -0.18 -0.04 2.10 1.72 3h1vX1 ILE 225 H -0.12 0.64 0.33 -0.55 8.25 8.55 3h1vX1 ILE 225 HA -0.08 0.25 1.04 -0.75 4.18 4.63 3h1vX1 ILE 225 HB -0.08 -0.09 0.04 -0.04 1.89 1.72 3h1vX1 ILE 225 HG12 -0.10 -0.05 -0.41 -0.04 1.49 0.88 3h1vX1 ILE 225 HG13 -0.09 -0.09 -0.29 -0.04 1.21 0.69 3h1vX1 ILE 225 HG23 -0.06 -0.02 -0.22 -0.04 0.93 0.59 3h1vX1 ILE 225 HD13 -0.07 0.06 -0.31 -0.04 0.88 0.53 3h1vX1 VAL 226 H -0.09 0.66 0.24 -0.55 8.24 8.51 3h1vX1 VAL 226 HA -0.01 0.21 0.78 -0.75 4.13 4.35 3h1vX1 VAL 226 HB -0.16 -0.13 0.14 -0.04 2.12 1.92 3h1vX1 VAL 226 HG13 -0.22 0.01 -0.07 -0.04 0.97 0.64 3h1vX1 VAL 226 HG23 -0.06 0.04 -0.24 -0.04 0.95 0.65 3h1vX1 GLY 227 H -0.03 0.75 0.01 -0.55 8.43 8.62 3h1vX1 GLY 227 HA2 -0.06 -0.12 0.98 -0.51 4.01 4.30 3h1vX1 GLY 227 HA3 -0.04 -0.03 0.43 -0.51 4.01 3.86 3h1vX1 THR 228 H -0.03 0.16 0.20 -0.55 8.28 8.06 3h1vX1 THR 228 HA -0.05 -0.02 0.54 -0.75 4.39 4.11 3h1vX1 THR 228 HB -0.02 0.03 0.16 -0.04 4.32 4.46 3h1vX1 THR 228 HG23 -0.04 0.04 0.03 -0.04 1.22 1.21 3h1vX1 GLY 229 H -0.01 0.02 -0.08 -0.55 8.43 7.81 3h1vX1 GLY 229 HA2 0.14 0.25 0.84 -0.51 4.01 4.73 3h1vX1 GLY 229 HA3 0.06 0.07 0.28 -0.51 4.01 3.90 3h1vX1 CYS 230 H 0.14 0.25 0.13 -0.55 8.50 8.47 3h1vX1 CYS 230 HA 0.13 0.36 1.01 -0.75 4.58 5.33 3h1vX1 CYS 230 HB2 0.12 -0.00 -0.18 -0.04 2.97 2.87 3h1vX1 CYS 230 HB3 0.23 -0.04 0.07 -0.04 2.97 3.19 3h1vX1 ASN 231 H 0.02 0.56 0.36 -0.55 8.53 8.92 3h1vX1 ASN 231 HA -0.55 0.02 0.61 -0.75 4.76 4.08 3h1vX1 ASN 231 HB2 -0.06 0.07 -0.22 -0.04 2.88 2.63 3h1vX1 ASN 231 HB3 -0.17 -0.05 -0.11 -0.04 2.79 2.42 3h1vX1 ASN 231 HD21 -0.10 0.03 -0.01 -0.04 7.03 6.91 3h1vX1 ASN 231 HD22 -0.12 -0.04 -0.08 -0.04 7.74 7.45 3h1vX1 ALA 232 H -0.88 0.09 0.29 -0.55 8.40 7.35 3h1vX1 ALA 232 HA -0.41 0.15 0.73 -0.75 4.34 4.05 3h1vX1 ALA 232 HB3 -0.95 0.05 0.03 -0.04 1.41 0.51 3h1vX1 CYS 233 H -0.16 0.63 0.42 -0.55 8.50 8.85 3h1vX1 CYS 233 HA -0.03 0.29 1.04 -0.75 4.58 5.12 3h1vX1 CYS 233 HB2 -0.11 0.15 -0.08 -0.04 2.97 2.88 3h1vX1 CYS 233 HB3 -0.11 -0.23 -0.15 -0.04 2.97 2.44 3h1vX1 TYR 234 H -0.21 0.45 0.38 -0.55 8.29 8.36 3h1vX1 TYR 234 HA -0.05 0.22 0.63 -0.75 4.56 4.61 3h1vX1 TYR 234 HB2 -0.02 0.14 0.10 -0.04 3.06 3.24 3h1vX1 TYR 234 HB3 -0.04 -0.03 -0.12 -0.04 2.98 2.74 3h1vX1 TYR 234 HD2 -0.04 0.01 -0.30 -0.04 7.15 6.77 3h1vX1 TYR 234 HE2 -0.02 -0.01 -0.14 -0.04 6.85 6.64 3h1vX1 MET 235 H 0.04 0.54 0.24 -0.55 8.47 8.74 3h1vX1 MET 235 HA -0.21 0.07 0.41 -0.75 4.52 4.04 3h1vX1 MET 235 HB2 0.01 0.04 0.18 -0.04 2.15 2.34 3h1vX1 MET 235 HB3 -0.06 0.01 -0.09 -0.04 2.03 1.85 3h1vX1 MET 235 HG2 -0.04 0.02 0.04 -0.04 2.63 2.62 3h1vX1 MET 235 HG3 -0.06 0.05 -0.06 -0.04 2.56 2.45 3h1vX1 MET 235 HE3 -0.13 0.03 -0.32 -0.04 2.10 1.64 3h1vX1 GLU 236 H -0.34 0.56 0.36 -0.55 8.60 8.63 3h1vX1 GLU 236 HA 0.06 0.10 0.73 -0.75 4.29 4.43 3h1vX1 GLU 236 HB2 -0.42 -0.05 0.02 -0.04 2.09 1.60 3h1vX1 GLU 236 HB3 -0.23 0.07 0.06 -0.04 1.99 1.85 3h1vX1 GLU 236 HG2 -0.02 0.02 -0.13 -0.04 2.34 2.17 3h1vX1 GLU 236 HG3 -0.03 0.25 -0.18 -0.04 2.34 2.34 3h1vX1 GLU 237 H 0.02 0.14 0.13 -0.55 8.60 8.35 3h1vX1 GLU 237 HA -0.02 0.16 0.62 -0.75 4.29 4.29 3h1vX1 GLU 237 HB2 0.00 -0.09 0.15 -0.04 2.09 2.12 3h1vX1 GLU 237 HB3 -0.01 0.02 0.10 -0.04 1.99 2.06 3h1vX1 GLU 237 HG2 0.03 -0.04 0.09 -0.04 2.34 2.38 3h1vX1 GLU 237 HG3 0.01 0.14 0.04 -0.04 2.34 2.49 3h1vX1 MET 238 H -0.04 0.70 0.19 -0.55 8.47 8.77 3h1vX1 MET 238 HA -0.07 0.02 0.34 -0.75 4.52 4.05 3h1vX1 MET 238 HB2 -0.04 0.10 -0.52 -0.04 2.15 1.64 3h1vX1 MET 238 HB3 -0.05 0.01 -0.52 -0.04 2.03 1.43 3h1vX1 MET 238 HG2 -0.08 -0.17 -0.49 -0.04 2.63 1.85 3h1vX1 MET 238 HG3 -0.06 0.12 -0.23 -0.04 2.56 2.35 3h1vX1 MET 238 HE3 -0.07 0.01 -0.23 -0.04 2.10 1.76 3h1vX1 GLN 239 H -0.02 0.11 -0.20 -0.55 8.47 7.81 3h1vX1 GLN 239 HA -0.02 0.23 0.48 -0.75 4.36 4.30 3h1vX1 GLN 239 HB2 -0.01 -0.01 0.09 -0.04 2.15 2.18 3h1vX1 GLN 239 HB3 -0.01 -0.00 0.17 -0.04 2.02 2.13 3h1vX1 GLN 239 HG2 -0.01 0.04 -0.20 -0.04 2.40 2.19 3h1vX1 GLN 239 HG3 -0.01 -0.01 -0.01 -0.04 2.39 2.33 3h1vX1 GLN 239 HE21 -0.00 0.02 0.05 -0.04 6.97 7.00 3h1vX1 GLN 239 HE22 -0.00 0.04 0.02 -0.04 7.69 7.70 3h1vX1 ASN 240 H -0.02 0.14 -0.40 -0.55 8.53 7.70 3h1vX1 ASN 240 HA -0.00 0.06 0.58 -0.75 4.76 4.64 3h1vX1 ASN 240 HB2 0.01 0.10 0.11 -0.04 2.88 3.05 3h1vX1 ASN 240 HB3 0.02 -0.03 0.08 -0.04 2.79 2.82 3h1vX1 ASN 240 HD21 0.02 0.05 0.05 -0.04 7.03 7.11 3h1vX1 ASN 240 HD22 0.04 -0.07 0.07 -0.04 7.74 7.74 3h1vX1 VAL 241 H -0.04 0.35 -0.37 -0.55 8.24 7.63 3h1vX1 VAL 241 HA -0.05 0.07 0.58 -0.75 4.13 3.98 3h1vX1 VAL 241 HB -0.09 0.18 0.22 -0.04 2.12 2.39 3h1vX1 VAL 241 HG13 -0.14 -0.06 0.02 -0.04 0.97 0.75 3h1vX1 VAL 241 HG23 -0.11 0.02 -0.14 -0.04 0.95 0.68 3h1vX1 GLU 242 H -0.04 0.50 0.21 -0.55 8.60 8.73 3h1vX1 GLU 242 HA -0.04 0.14 0.33 -0.75 4.29 3.96 3h1vX1 GLU 242 HB2 -0.04 0.39 0.32 -0.04 2.09 2.71 3h1vX1 GLU 242 HB3 -0.05 -0.16 0.11 -0.04 1.99 1.84 3h1vX1 GLU 242 HG2 -0.02 -0.02 0.10 -0.04 2.34 2.35 3h1vX1 GLU 242 HG3 -0.02 0.16 0.02 -0.04 2.34 2.46 3h1vX1 LEU 243 H -0.08 0.10 -0.30 -0.55 8.37 7.55 3h1vX1 LEU 243 HA -0.10 0.12 0.78 -0.75 4.35 4.40 3h1vX1 LEU 243 HB2 -0.07 0.02 0.07 -0.04 1.64 1.62 3h1vX1 LEU 243 HB3 -0.07 -0.04 0.16 -0.04 1.64 1.66 3h1vX1 LEU 243 HG -0.20 0.05 -0.10 -0.04 1.64 1.35 3h1vX1 LEU 243 HD13 -0.03 0.01 0.03 -0.04 0.93 0.90 3h1vX1 LEU 243 HD23 -0.55 -0.01 -0.01 -0.04 0.89 0.28 3h1vX1 VAL 244 H -0.08 0.56 -0.18 -0.55 8.24 7.99 3h1vX1 VAL 244 HA -0.02 0.07 0.75 -0.75 4.13 4.18 3h1vX1 VAL 244 HB -0.16 0.06 0.08 -0.04 2.12 2.06 3h1vX1 VAL 244 HG13 -0.09 0.02 -0.04 -0.04 0.97 0.82 3h1vX1 VAL 244 HG23 -0.35 -0.04 -0.12 -0.04 0.95 0.40 3h1vX1 GLU 245 H 0.00 0.05 0.06 -0.55 8.60 8.17 3h1vX1 GLU 245 HA -0.02 0.10 0.51 -0.75 4.29 4.13 3h1vX1 GLU 245 HB2 0.01 -0.03 0.08 -0.04 2.09 2.10 3h1vX1 GLU 245 HB3 -0.00 -0.04 -0.01 -0.04 1.99 1.89 3h1vX1 GLU 245 HG2 -0.01 0.03 0.04 -0.04 2.34 2.36 3h1vX1 GLU 245 HG3 0.00 0.01 0.06 -0.04 2.34 2.37 3h1vX1 GLY 246 H -0.02 0.08 0.10 -0.55 8.43 8.04 3h1vX1 GLY 246 HA2 -0.02 -0.10 0.39 -0.51 4.01 3.78 3h1vX1 GLY 246 HA3 -0.02 0.25 0.88 -0.51 4.01 4.61 3h1vX1 ASP 247 H -0.02 0.07 0.17 -0.55 8.40 8.07 3h1vX1 ASP 247 HA -0.02 0.22 0.56 -0.75 4.63 4.64 3h1vX1 ASP 247 HB2 -0.01 -0.02 0.03 -0.04 2.71 2.66 3h1vX1 ASP 247 HB3 -0.01 -0.01 0.13 -0.04 2.70 2.76 3h1vX1 GLU 248 H -0.02 0.08 0.06 -0.55 8.60 8.17 3h1vX1 GLU 248 HA -0.02 0.18 0.78 -0.75 4.29 4.47 3h1vX1 GLU 248 HB2 -0.01 -0.04 0.02 -0.04 2.09 2.01 3h1vX1 GLU 248 HB3 -0.02 0.03 0.10 -0.04 1.99 2.06 3h1vX1 GLU 248 HG2 -0.01 0.02 -0.02 -0.04 2.34 2.28 3h1vX1 GLU 248 HG3 -0.02 0.03 -0.10 -0.04 2.34 2.21 3h1vX1 GLY 249 H -0.02 0.11 0.19 -0.55 8.43 8.17 3h1vX1 GLY 249 HA2 -0.03 0.02 0.35 -0.51 4.01 3.84 3h1vX1 GLY 249 HA3 -0.04 0.15 0.51 -0.51 4.01 4.12 3h1vX1 ARG 250 H -0.05 0.09 0.20 -0.55 8.46 8.15 3h1vX1 ARG 250 HA -0.07 0.25 0.94 -0.75 4.34 4.70 3h1vX1 ARG 250 HB2 -0.07 -0.11 0.00 -0.04 1.90 1.68 3h1vX1 ARG 250 HB3 -0.08 0.08 -0.16 -0.04 1.80 1.60 3h1vX1 ARG 250 HG2 -0.03 0.05 -0.34 -0.04 1.67 1.31 3h1vX1 ARG 250 HG3 -0.03 -0.15 -0.34 -0.04 1.67 1.11 3h1vX1 ARG 250 HD2 -0.01 -0.05 -0.08 -0.04 3.22 3.03 3h1vX1 ARG 250 HD3 -0.01 0.07 -0.17 -0.04 3.22 3.08 3h1vX1 MET 251 H -0.13 0.49 0.15 -0.55 8.47 8.43 3h1vX1 MET 251 HA -0.14 0.25 0.80 -0.75 4.52 4.66 3h1vX1 MET 251 HB2 -0.17 0.05 -0.07 -0.04 2.15 1.93 3h1vX1 MET 251 HB3 -0.19 0.02 -0.02 -0.04 2.03 1.81 3h1vX1 MET 251 HG2 -0.23 0.12 -0.01 -0.04 2.63 2.47 3h1vX1 MET 251 HG3 -0.21 0.01 -0.10 -0.04 2.56 2.22 3h1vX1 MET 251 HE3 -0.35 0.05 -0.07 -0.04 2.10 1.69 3h1vX1 CYS 252 H -0.17 0.70 0.25 -0.55 8.50 8.73 3h1vX1 CYS 252 HA -0.26 0.17 0.50 -0.75 4.58 4.23 3h1vX1 CYS 252 HB2 -0.15 0.10 -0.02 -0.04 2.97 2.85 3h1vX1 CYS 252 HB3 -0.16 -0.11 0.07 -0.04 2.97 2.74 3h1vX1 VAL 253 H -0.43 0.55 0.37 -0.55 8.24 8.18 3h1vX1 VAL 253 HA -0.18 0.26 0.77 -0.75 4.13 4.23 3h1vX1 VAL 253 HB -0.59 -0.01 0.09 -0.04 2.12 1.57 3h1vX1 VAL 253 HG13 -0.01 0.00 -0.52 -0.04 0.97 0.40 3h1vX1 VAL 253 HG23 -0.20 0.05 -0.19 -0.04 0.95 0.57 3h1vX1 ASN 254 H -0.07 0.89 0.11 -0.55 8.53 8.92 3h1vX1 ASN 254 HA -0.08 -0.01 0.71 -0.75 4.76 4.63 3h1vX1 ASN 254 HB2 -0.05 -0.03 0.07 -0.04 2.88 2.83 3h1vX1 ASN 254 HB3 -0.01 0.22 0.24 -0.04 2.79 3.21 3h1vX1 ASN 254 HD21 -0.01 -0.05 -0.02 -0.04 7.03 6.91 3h1vX1 ASN 254 HD22 0.04 0.16 0.08 -0.04 7.74 7.98 3h1vX1 THR 255 H -0.06 0.57 0.42 -0.55 8.28 8.66 3h1vX1 THR 255 HA 0.08 0.13 0.15 -0.75 4.39 4.00 3h1vX1 THR 255 HB 0.15 0.02 -0.02 -0.04 4.32 4.42 3h1vX1 THR 255 HG23 0.16 0.06 -0.02 -0.04 1.22 1.37 3h1vX1 GLU 256 H -0.05 0.04 -0.18 -0.55 8.60 7.86 3h1vX1 GLU 256 HA 0.02 -0.08 0.36 -0.75 4.29 3.83 3h1vX1 GLU 256 HB2 0.08 0.16 0.11 -0.04 2.09 2.40 3h1vX1 GLU 256 HB3 0.09 -0.01 0.30 -0.04 1.99 2.33 3h1vX1 GLU 256 HG2 0.02 -0.02 -0.07 -0.04 2.34 2.23 3h1vX1 GLU 256 HG3 0.05 0.10 0.02 -0.04 2.34 2.47 3h1vX1 TRP 257 H 0.12 0.02 -0.02 -0.55 7.97 7.54 3h1vX1 TRP 257 HA 0.06 0.15 0.20 -0.75 4.62 4.28 3h1vX1 TRP 257 HB2 -0.10 0.08 0.07 -0.04 3.23 3.24 3h1vX1 TRP 257 HB3 0.01 0.05 0.03 -0.04 3.23 3.28 3h1vX1 TRP 257 HD1 0.30 0.09 -0.44 -0.04 7.22 7.13 3h1vX1 TRP 257 HE1 0.16 -0.04 -0.47 -0.04 10.20 9.81 3h1vX1 TRP 257 HE3 -0.02 0.08 -0.11 -0.04 7.59 7.49 3h1vX1 TRP 257 HZ2 0.16 0.03 -0.15 -0.04 7.44 7.43 3h1vX1 TRP 257 HZ3 0.04 0.16 -0.52 -0.04 7.13 6.78 3h1vX1 TRP 257 HH2 0.18 0.04 -0.15 -0.04 7.19 7.22 3h1vX1 GLY 258 H 0.46 0.02 -0.28 -0.55 8.43 8.08 3h1vX1 GLY 258 HA2 0.47 0.02 0.48 -0.51 4.01 4.48 3h1vX1 GLY 258 HA3 0.29 0.03 0.36 -0.51 4.01 4.18 3h1vX1 ALA 259 H 0.25 0.57 -0.15 -0.55 8.40 8.52 3h1vX1 ALA 259 HA 0.14 -0.10 0.69 -0.75 4.34 4.33 3h1vX1 ALA 259 HB3 0.12 0.08 0.21 -0.04 1.41 1.78 3h1vX1 PHE 260 H 0.33 0.34 -0.26 -0.55 8.34 8.20 3h1vX1 PHE 260 HA -0.00 -0.02 0.50 -0.75 4.62 4.34 3h1vX1 PHE 260 HB2 -0.12 -0.00 0.13 -0.04 3.15 3.12 3h1vX1 PHE 260 HB3 -0.32 0.09 0.10 -0.04 3.06 2.89 3h1vX1 PHE 260 HD2 -0.51 -0.03 -0.02 -0.04 7.28 6.68 3h1vX1 PHE 260 HE2 -0.14 0.07 -0.13 -0.04 7.38 7.14 3h1vX1 PHE 260 HZ -0.06 0.09 -0.09 -0.04 7.32 7.22 3h1vX1 GLY 261 H -0.43 0.11 0.15 -0.55 8.43 7.71 3h1vX1 GLY 261 HA2 -0.38 -0.20 0.34 -0.51 4.01 3.25 3h1vX1 GLY 261 HA3 -0.27 0.21 0.52 -0.51 4.01 3.97 3h1vX1 ASP 262 H -0.01 0.68 -0.10 -0.55 8.40 8.42 3h1vX1 ASP 262 HA -0.01 0.17 0.58 -0.75 4.63 4.62 3h1vX1 ASP 262 HB2 0.04 0.04 0.20 -0.04 2.71 2.95 3h1vX1 ASP 262 HB3 0.03 0.13 0.25 -0.04 2.70 3.06 3h1vX1 SER 263 H -0.03 -0.14 -0.30 -0.55 8.46 7.45 3h1vX1 SER 263 HA -0.01 0.32 0.86 -0.75 4.49 4.91 3h1vX1 SER 263 HB2 0.01 -0.14 0.07 -0.04 3.95 3.85 3h1vX1 SER 263 HB3 0.00 0.08 0.20 -0.04 3.93 4.17 3h1vX1 GLY 264 H -0.06 0.51 -0.20 -0.55 8.43 8.13 3h1vX1 GLY 264 HA2 -0.06 0.07 0.32 -0.51 4.01 3.83 3h1vX1 GLY 264 HA3 -0.04 0.23 0.59 -0.51 4.01 4.29 3h1vX1 GLU 265 H -0.14 -0.04 -0.10 -0.55 8.60 7.78 3h1vX1 GLU 265 HA -0.06 0.18 0.39 -0.75 4.29 4.05 3h1vX1 GLU 265 HB2 -0.67 -0.19 0.03 -0.04 2.09 1.22 3h1vX1 GLU 265 HB3 -0.25 0.10 0.01 -0.04 1.99 1.81 3h1vX1 GLU 265 HG2 0.18 0.08 0.01 -0.04 2.34 2.57 3h1vX1 GLU 265 HG3 0.01 0.14 -0.01 -0.04 2.34 2.45 3h1vX1 LEU 266 H -0.16 0.07 -0.34 -0.55 8.37 7.40 3h1vX1 LEU 266 HA 0.20 0.25 0.77 -0.75 4.35 4.82 3h1vX1 LEU 266 HB2 -0.06 0.02 -0.05 -0.04 1.64 1.50 3h1vX1 LEU 266 HB3 0.10 0.03 0.06 -0.04 1.64 1.79 3h1vX1 LEU 266 HG -0.58 -0.19 -0.31 -0.04 1.64 0.53 3h1vX1 LEU 266 HD13 0.04 0.01 -0.22 -0.04 0.93 0.73 3h1vX1 LEU 266 HD23 -0.03 0.06 -0.12 -0.04 0.89 0.75 3h1vX1 ASP 267 H -0.07 0.46 -0.18 -0.55 8.40 8.07 3h1vX1 ASP 267 HA -0.05 0.03 0.14 -0.75 4.63 3.99 3h1vX1 ASP 267 HB2 -0.08 0.11 0.20 -0.04 2.71 2.90 3h1vX1 ASP 267 HB3 -0.08 0.04 0.00 -0.04 2.70 2.63 3h1vX1 GLU 268 H -0.22 0.09 -0.20 -0.55 8.60 7.72 3h1vX1 GLU 268 HA -0.22 0.12 0.41 -0.75 4.29 3.85 3h1vX1 GLU 268 HB2 -0.33 0.03 0.11 -0.04 2.09 1.85 3h1vX1 GLU 268 HB3 -0.30 -0.03 0.06 -0.04 1.99 1.68 3h1vX1 GLU 268 HG2 -1.19 -0.04 -0.16 -0.04 2.34 0.91 3h1vX1 GLU 268 HG3 -1.54 0.05 -0.30 -0.04 2.34 0.51 3h1vX1 PHE 269 H -0.11 0.43 -0.56 -0.55 8.34 7.55 3h1vX1 PHE 269 HA -0.03 0.24 0.97 -0.75 4.62 5.05 3h1vX1 PHE 269 HB2 -0.02 0.02 0.02 -0.04 3.15 3.13 3h1vX1 PHE 269 HB3 -0.01 -0.00 0.03 -0.04 3.06 3.04 3h1vX1 PHE 269 HD2 -0.01 0.02 -0.02 -0.04 7.28 7.23 3h1vX1 PHE 269 HE2 0.01 -0.01 -0.03 -0.04 7.38 7.31 3h1vX1 PHE 269 HZ 0.01 -0.01 -0.00 -0.04 7.32 7.28 3h1vX1 LEU 270 H 0.01 0.26 0.04 -0.55 8.37 8.13 3h1vX1 LEU 270 HA 0.02 -0.03 0.32 -0.75 4.35 3.91 3h1vX1 LEU 270 HB2 -0.03 0.08 0.05 -0.04 1.64 1.71 3h1vX1 LEU 270 HB3 -0.01 -0.09 0.01 -0.04 1.64 1.51 3h1vX1 LEU 270 HG 0.01 0.21 -0.10 -0.04 1.64 1.72 3h1vX1 LEU 270 HD13 -0.02 -0.02 -0.10 -0.04 0.93 0.75 3h1vX1 LEU 270 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.74 3h1vX1 LEU 271 H -0.02 -0.01 0.26 -0.55 8.37 8.05 3h1vX1 LEU 271 HA -0.11 0.29 0.75 -0.75 4.35 4.52 3h1vX1 LEU 271 HB2 -0.04 -0.07 0.15 -0.04 1.64 1.63 3h1vX1 LEU 271 HB3 -0.09 -0.17 0.10 -0.04 1.64 1.44 3h1vX1 LEU 271 HG -0.14 -0.05 0.02 -0.04 1.64 1.43 3h1vX1 LEU 271 HD13 -0.09 0.15 -0.15 -0.04 0.93 0.80 3h1vX1 LEU 271 HD23 -0.75 0.06 -0.15 -0.04 0.89 0.01 3h1vX1 GLU 272 H -0.27 0.28 0.15 -0.55 8.60 8.21 3h1vX1 GLU 272 HA -0.15 0.09 0.44 -0.75 4.29 3.91 3h1vX1 GLU 272 HB2 -0.21 0.05 0.07 -0.04 2.09 1.96 3h1vX1 GLU 272 HB3 -0.27 0.07 0.14 -0.04 1.99 1.89 3h1vX1 GLU 272 HG2 -1.35 -0.13 0.01 -0.04 2.34 0.82 3h1vX1 GLU 272 HG3 -0.64 0.02 -0.32 -0.04 2.34 1.35 3h1vX1 TYR 273 H -0.48 0.09 -0.37 -0.55 8.29 6.97 3h1vX1 TYR 273 HA 0.03 0.13 0.44 -0.75 4.56 4.41 3h1vX1 TYR 273 HB2 0.07 0.02 -0.00 -0.04 3.06 3.10 3h1vX1 TYR 273 HB3 0.10 0.05 0.04 -0.04 2.98 3.12 3h1vX1 TYR 273 HD2 -0.05 0.01 -0.12 -0.04 7.15 6.94 3h1vX1 TYR 273 HE2 -0.01 0.09 -0.03 -0.04 6.85 6.85 3h1vX1 ASP 274 H 0.08 0.15 -0.13 -0.55 8.40 7.95 3h1vX1 ASP 274 HA 0.07 0.10 0.40 -0.75 4.63 4.45 3h1vX1 ASP 274 HB2 0.01 0.06 0.22 -0.04 2.71 2.96 3h1vX1 ASP 274 HB3 0.02 0.06 0.02 -0.04 2.70 2.75 3h1vX1 ARG 275 H -0.02 0.46 -0.11 -0.55 8.46 8.25 3h1vX1 ARG 275 HA -0.01 0.02 0.40 -0.75 4.34 4.00 3h1vX1 ARG 275 HB2 -0.04 0.08 0.07 -0.04 1.90 1.97 3h1vX1 ARG 275 HB3 -0.02 0.01 0.00 -0.04 1.80 1.75 3h1vX1 ARG 275 HG2 -0.03 -0.03 -0.06 -0.04 1.67 1.52 3h1vX1 ARG 275 HG3 -0.04 0.15 -0.11 -0.04 1.67 1.62 3h1vX1 ARG 275 HD2 -0.06 -0.03 -0.13 -0.04 3.22 2.96 3h1vX1 ARG 275 HD3 -0.04 0.00 -0.06 -0.04 3.22 3.08 3h1vX1 LEU 276 H 0.01 0.40 -0.31 -0.55 8.37 7.93 3h1vX1 LEU 276 HA 0.02 0.07 0.51 -0.75 4.35 4.20 3h1vX1 LEU 276 HB2 0.06 0.05 0.13 -0.04 1.64 1.84 3h1vX1 LEU 276 HB3 0.05 -0.02 -0.06 -0.04 1.64 1.57 3h1vX1 LEU 276 HG -0.02 0.03 0.05 -0.04 1.64 1.66 3h1vX1 LEU 276 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 3h1vX1 LEU 276 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.85 3h1vX1 VAL 277 H 0.08 0.60 -0.04 -0.55 8.24 8.33 3h1vX1 VAL 277 HA 0.10 0.01 0.47 -0.75 4.13 3.97 3h1vX1 VAL 277 HB 0.08 0.11 0.17 -0.04 2.12 2.44 3h1vX1 VAL 277 HG13 0.11 -0.01 -0.16 -0.04 0.97 0.87 3h1vX1 VAL 277 HG23 0.15 -0.01 -0.03 -0.04 0.95 1.01 3h1vX1 ASP 278 H 0.02 0.62 -0.23 -0.55 8.40 8.27 3h1vX1 ASP 278 HA 0.00 -0.02 0.33 -0.75 4.63 4.19 3h1vX1 ASP 278 HB2 -0.02 0.02 0.06 -0.04 2.71 2.73 3h1vX1 ASP 278 HB3 0.00 0.13 0.16 -0.04 2.70 2.95 3h1vX1 GLU 279 H 0.02 0.56 -0.06 -0.55 8.60 8.58 3h1vX1 GLU 279 HA 0.02 -0.02 0.30 -0.75 4.29 3.84 3h1vX1 GLU 279 HB2 0.02 0.05 0.15 -0.04 2.09 2.27 3h1vX1 GLU 279 HB3 0.02 -0.03 0.04 -0.04 1.99 1.97 3h1vX1 GLU 279 HG2 0.01 -0.05 0.05 -0.04 2.34 2.31 3h1vX1 GLU 279 HG3 0.01 0.03 0.12 -0.04 2.34 2.45 3h1vX1 SER 280 H 0.05 0.35 -0.41 -0.55 8.46 7.90 3h1vX1 SER 280 HA 0.04 0.16 0.79 -0.75 4.49 4.72 3h1vX1 SER 280 HB2 0.06 0.04 0.07 -0.04 3.95 4.08 3h1vX1 SER 280 HB3 0.05 -0.08 0.15 -0.04 3.93 4.00 3h1vX1 SER 281 H 0.07 0.41 -0.34 -0.55 8.46 8.04 3h1vX1 SER 281 HA 0.11 0.04 0.60 -0.75 4.49 4.49 3h1vX1 SER 281 HB2 0.18 -0.25 0.07 -0.04 3.95 3.91 3h1vX1 SER 281 HB3 0.14 0.22 0.10 -0.04 3.93 4.35 3h1vX1 ALA 282 H 0.12 0.05 0.12 -0.55 8.40 8.14 3h1vX1 ALA 282 HA 0.06 0.15 0.46 -0.75 4.34 4.26 3h1vX1 ALA 282 HB3 0.09 -0.02 0.06 -0.04 1.41 1.49 3h1vX1 ASN 283 H 0.11 -0.02 -0.45 -0.55 8.53 7.62 3h1vX1 ASN 283 HA 0.09 0.28 0.82 -0.75 4.76 5.20 3h1vX1 ASN 283 HB2 0.12 0.02 0.06 -0.04 2.88 3.03 3h1vX1 ASN 283 HB3 0.15 0.04 -0.17 -0.04 2.79 2.77 3h1vX1 ASN 283 HD21 0.17 -0.13 -0.02 -0.04 7.03 7.02 3h1vX1 ASN 283 HD22 0.16 0.10 -0.02 -0.04 7.74 7.94 3h1vX1 PRO 284 HA 0.04 0.07 0.31 -0.51 4.44 4.35 3h1vX1 PRO 284 HB2 0.03 -0.03 -0.01 -0.04 2.28 2.23 3h1vX1 PRO 284 HB3 0.03 0.04 -0.00 -0.04 2.02 2.04 3h1vX1 PRO 284 HG2 0.04 -0.00 0.03 -0.04 2.03 2.05 3h1vX1 PRO 284 HG3 0.05 0.26 0.00 -0.04 2.03 2.30 3h1vX1 PRO 284 HD2 0.06 0.07 0.01 -0.04 3.68 3.78 3h1vX1 PRO 284 HD3 0.06 0.18 -0.57 -0.04 3.65 3.29 3h1vX1 GLY 285 H 0.01 0.12 0.12 -0.55 8.43 8.13 3h1vX1 GLY 285 HA2 0.01 -0.04 0.35 -0.51 4.01 3.82 3h1vX1 GLY 285 HA3 0.02 0.17 0.64 -0.51 4.01 4.33 3h1vX1 GLN 286 H 0.04 0.42 -0.35 -0.55 8.47 8.03 3h1vX1 GLN 286 HA 0.04 0.15 0.98 -0.75 4.36 4.78 3h1vX1 GLN 286 HB2 0.08 0.08 -0.02 -0.04 2.15 2.25 3h1vX1 GLN 286 HB3 0.08 -0.14 0.10 -0.04 2.02 2.01 3h1vX1 GLN 286 HG2 0.05 0.02 -0.09 -0.04 2.40 2.33 3h1vX1 GLN 286 HG3 0.05 0.10 -0.31 -0.04 2.39 2.19 3h1vX1 GLN 286 HE21 0.08 -0.01 -0.01 -0.04 6.97 6.98 3h1vX1 GLN 286 HE22 0.07 -0.02 -0.01 -0.04 7.69 7.68 3h1vX1 GLN 287 H 0.08 0.16 0.15 -0.55 8.47 8.31 3h1vX1 GLN 287 HA 0.11 0.04 0.11 -0.75 4.36 3.87 3h1vX1 GLN 287 HB2 0.04 0.25 -0.11 -0.04 2.15 2.29 3h1vX1 GLN 287 HB3 0.07 -0.15 0.20 -0.04 2.02 2.10 3h1vX1 GLN 287 HG2 0.11 0.09 -0.10 -0.04 2.40 2.47 3h1vX1 GLN 287 HG3 0.15 -0.10 0.02 -0.04 2.39 2.42 3h1vX1 GLN 287 HE21 0.15 -0.07 0.03 -0.04 6.97 7.04 3h1vX1 GLN 287 HE22 0.15 -0.06 0.06 -0.04 7.69 7.80 3h1vX1 LEU 288 H 0.04 0.12 -0.18 -0.55 8.37 7.81 3h1vX1 LEU 288 HA -0.04 0.09 0.19 -0.75 4.35 3.84 3h1vX1 LEU 288 HB2 -0.01 0.00 -0.12 -0.04 1.64 1.47 3h1vX1 LEU 288 HB3 -0.01 -0.01 -0.12 -0.04 1.64 1.46 3h1vX1 LEU 288 HG -0.00 0.09 -0.29 -0.04 1.64 1.39 3h1vX1 LEU 288 HD13 -0.02 0.03 -0.13 -0.04 0.93 0.77 3h1vX1 LEU 288 HD23 -0.02 0.00 -0.24 -0.04 0.89 0.59 3h1vX1 TYR 289 H 0.19 0.39 -0.01 -0.55 8.29 8.31 3h1vX1 TYR 289 HA 0.00 0.06 0.48 -0.75 4.56 4.35 3h1vX1 TYR 289 HB2 0.11 0.10 0.01 -0.04 3.06 3.24 3h1vX1 TYR 289 HB3 0.14 0.09 0.12 -0.04 2.98 3.29 3h1vX1 TYR 289 HD2 0.02 0.01 -0.21 -0.04 7.15 6.94 3h1vX1 TYR 289 HE2 -1.03 -0.01 -0.14 -0.04 6.85 5.63 3h1vX1 GLU 290 H 0.14 0.43 -0.14 -0.55 8.60 8.48 3h1vX1 GLU 290 HA 0.01 -0.01 0.29 -0.75 4.29 3.83 3h1vX1 GLU 290 HB2 0.20 -0.07 0.24 -0.04 2.09 2.43 3h1vX1 GLU 290 HB3 0.11 0.21 0.24 -0.04 1.99 2.51 3h1vX1 GLU 290 HG2 0.11 0.16 -0.15 -0.04 2.34 2.42 3h1vX1 GLU 290 HG3 0.21 -0.15 0.06 -0.04 2.34 2.42 3h1vX1 LYS 291 H -0.15 0.57 -0.08 -0.55 8.42 8.20 3h1vX1 LYS 291 HA -0.58 -0.04 0.57 -0.75 4.32 3.52 3h1vX1 LYS 291 HB2 -0.19 0.14 0.07 -0.04 1.87 1.85 3h1vX1 LYS 291 HB3 -0.25 -0.02 0.02 -0.04 1.79 1.50 3h1vX1 LYS 291 HG2 -1.24 -0.06 -0.02 -0.04 1.46 0.10 3h1vX1 LYS 291 HG3 -0.82 -0.06 0.05 -0.04 1.46 0.60 3h1vX1 LYS 291 HD2 -0.15 0.09 -0.24 -0.04 1.69 1.35 3h1vX1 LYS 291 HD3 -0.16 -0.05 -0.09 -0.04 1.68 1.34 3h1vX1 LYS 291 HE2 -0.10 -0.05 -0.07 -0.04 2.99 2.73 3h1vX1 LYS 291 HE3 -0.15 -0.13 -0.02 -0.04 2.99 2.66 3h1vX1 LEU 292 H -0.07 0.42 -0.51 -0.55 8.37 7.66 3h1vX1 LEU 292 HA 0.03 0.10 0.59 -0.75 4.35 4.31 3h1vX1 LEU 292 HB2 -0.13 0.10 0.01 -0.04 1.64 1.57 3h1vX1 LEU 292 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.59 3h1vX1 LEU 292 HG -0.00 0.21 0.04 -0.04 1.64 1.85 3h1vX1 LEU 292 HD13 0.06 -0.02 -0.05 -0.04 0.93 0.88 3h1vX1 LEU 292 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 3h1vX1 ILE 293 H -0.01 0.25 -0.25 -0.55 8.25 7.69 3h1vX1 ILE 293 HA 0.04 0.20 0.97 -0.75 4.18 4.63 3h1vX1 ILE 293 HB -0.08 -0.04 0.07 -0.04 1.89 1.80 3h1vX1 ILE 293 HG12 -0.08 0.11 -0.06 -0.04 1.49 1.42 3h1vX1 ILE 293 HG13 -0.23 -0.01 -0.41 -0.04 1.21 0.52 3h1vX1 ILE 293 HG23 0.06 -0.04 -0.21 -0.04 0.93 0.71 3h1vX1 ILE 293 HD13 -0.68 -0.02 -0.19 -0.04 0.88 -0.06 3h1vX1 GLY 294 H 0.13 0.78 0.28 -0.55 8.43 9.07 3h1vX1 GLY 294 HA2 0.04 0.05 0.10 -0.51 4.01 3.69 3h1vX1 GLY 294 HA3 0.17 0.07 0.31 -0.51 4.01 4.04 3h1vX1 GLY 295 H -0.01 0.71 0.34 -0.55 8.43 8.91 3h1vX1 GLY 295 HA2 -0.01 0.03 0.51 -0.51 4.01 4.03 3h1vX1 GLY 295 HA3 -0.04 -0.05 0.33 -0.51 4.01 3.73 3h1vX1 LYS 296 H -0.10 0.55 -0.06 -0.55 8.42 8.25 3h1vX1 LYS 296 HA -0.24 0.04 0.58 -0.75 4.32 3.95 3h1vX1 LYS 296 HB2 -0.28 -0.09 0.15 -0.04 1.87 1.60 3h1vX1 LYS 296 HB3 -1.00 0.05 0.10 -0.04 1.79 0.90 3h1vX1 LYS 296 HG2 -0.49 -0.05 -0.03 -0.04 1.46 0.84 3h1vX1 LYS 296 HG3 -0.97 0.04 -0.07 -0.04 1.46 0.42 3h1vX1 LYS 296 HD2 -0.23 0.01 0.13 -0.04 1.69 1.56 3h1vX1 LYS 296 HD3 -0.18 -0.10 0.10 -0.04 1.68 1.46 3h1vX1 LYS 296 HE2 -0.09 -0.02 0.04 -0.04 2.99 2.88 3h1vX1 LYS 296 HE3 -0.06 0.28 -0.02 -0.04 2.99 3.15 3h1vX1 TYR 297 H 0.01 0.38 -0.32 -0.55 8.29 7.80 3h1vX1 TYR 297 HA 0.04 0.17 0.76 -0.75 4.56 4.78 3h1vX1 TYR 297 HB2 0.04 0.16 -0.04 -0.04 3.06 3.18 3h1vX1 TYR 297 HB3 0.05 0.05 0.05 -0.04 2.98 3.10 3h1vX1 TYR 297 HD2 0.04 0.07 -0.03 -0.04 7.15 7.19 3h1vX1 TYR 297 HE2 0.06 -0.03 -0.03 -0.04 6.85 6.80 3h1vX1 MET 298 H 0.08 0.19 0.05 -0.55 8.47 8.24 3h1vX1 MET 298 HA 0.10 0.15 0.23 -0.75 4.52 4.25 3h1vX1 MET 298 HB2 0.06 0.24 -0.10 -0.04 2.15 2.31 3h1vX1 MET 298 HB3 0.06 -0.15 0.06 -0.04 2.03 1.95 3h1vX1 MET 298 HG2 0.07 -0.06 -0.17 -0.04 2.63 2.43 3h1vX1 MET 298 HG3 0.05 0.11 -0.10 -0.04 2.56 2.58 3h1vX1 MET 298 HE3 0.03 0.08 -0.05 -0.04 2.10 2.12 3h1vX1 GLY 299 H 0.06 0.09 -0.13 -0.55 8.43 7.90 3h1vX1 GLY 299 HA2 0.25 0.02 0.41 -0.51 4.01 4.19 3h1vX1 GLY 299 HA3 0.14 0.11 0.07 -0.51 4.01 3.82 3h1vX1 GLU 300 H 0.08 0.09 -0.25 -0.55 8.60 7.98 3h1vX1 GLU 300 HA 0.10 0.01 0.59 -0.75 4.29 4.25 3h1vX1 GLU 300 HB2 0.08 -0.00 0.12 -0.04 2.09 2.25 3h1vX1 GLU 300 HB3 0.13 0.13 0.10 -0.04 1.99 2.31 3h1vX1 GLU 300 HG2 0.11 0.07 -0.00 -0.04 2.34 2.48 3h1vX1 GLU 300 HG3 0.11 0.01 -0.15 -0.04 2.34 2.26 3h1vX1 LEU 301 H 0.11 0.55 -0.13 -0.55 8.37 8.35 3h1vX1 LEU 301 HA 0.11 0.03 0.50 -0.75 4.35 4.24 3h1vX1 LEU 301 HB2 0.07 0.12 0.13 -0.04 1.64 1.92 3h1vX1 LEU 301 HB3 0.10 -0.04 -0.06 -0.04 1.64 1.60 3h1vX1 LEU 301 HG 0.15 0.16 0.02 -0.04 1.64 1.92 3h1vX1 LEU 301 HD13 0.14 0.05 -0.03 -0.04 0.93 1.04 3h1vX1 LEU 301 HD23 0.17 -0.02 -0.13 -0.04 0.89 0.87 3h1vX1 VAL 302 H -0.03 0.47 -0.08 -0.55 8.24 8.05 3h1vX1 VAL 302 HA -0.24 0.03 0.39 -0.75 4.13 3.56 3h1vX1 VAL 302 HB -0.21 0.13 0.13 -0.04 2.12 2.12 3h1vX1 VAL 302 HG13 -0.59 -0.02 -0.17 -0.04 0.97 0.15 3h1vX1 VAL 302 HG23 -0.06 0.06 0.05 -0.04 0.95 0.96 3h1vX1 ARG 303 H -0.08 0.63 -0.15 -0.55 8.46 8.31 3h1vX1 ARG 303 HA -0.18 -0.05 0.32 -0.75 4.34 3.67 3h1vX1 ARG 303 HB2 0.15 -0.02 0.15 -0.04 1.90 2.13 3h1vX1 ARG 303 HB3 0.07 0.12 0.14 -0.04 1.80 2.09 3h1vX1 ARG 303 HG2 0.07 0.00 -0.09 -0.04 1.67 1.61 3h1vX1 ARG 303 HG3 0.12 -0.08 0.08 -0.04 1.67 1.75 3h1vX1 ARG 303 HD2 0.11 0.36 -0.02 -0.04 3.22 3.63 3h1vX1 ARG 303 HD3 0.15 -0.36 0.04 -0.04 3.22 3.01 3h1vX1 LEU 304 H 0.03 0.50 -0.24 -0.55 8.37 8.10 3h1vX1 LEU 304 HA 0.09 0.04 0.46 -0.75 4.35 4.19 3h1vX1 LEU 304 HB2 0.15 0.15 0.19 -0.04 1.64 2.10 3h1vX1 LEU 304 HB3 0.35 -0.09 -0.07 -0.04 1.64 1.79 3h1vX1 LEU 304 HG 0.13 -0.03 0.01 -0.04 1.64 1.71 3h1vX1 LEU 304 HD13 0.09 0.04 -0.03 -0.04 0.93 0.98 3h1vX1 LEU 304 HD23 0.15 -0.01 -0.01 -0.04 0.89 0.98 3h1vX1 VAL 305 H -0.12 0.63 -0.04 -0.55 8.24 8.17 3h1vX1 VAL 305 HA -0.20 0.01 0.55 -0.75 4.13 3.74 3h1vX1 VAL 305 HB -0.27 0.11 0.12 -0.04 2.12 2.04 3h1vX1 VAL 305 HG13 -0.19 -0.02 -0.15 -0.04 0.97 0.56 3h1vX1 VAL 305 HG23 -0.64 0.04 -0.01 -0.04 0.95 0.29 3h1vX1 LEU 306 H -0.13 0.63 -0.20 -0.55 8.37 8.13 3h1vX1 LEU 306 HA -0.12 -0.03 0.42 -0.75 4.35 3.86 3h1vX1 LEU 306 HB2 -0.05 0.18 0.09 -0.04 1.64 1.82 3h1vX1 LEU 306 HB3 0.01 -0.09 -0.05 -0.04 1.64 1.47 3h1vX1 LEU 306 HG -0.33 0.23 -0.14 -0.04 1.64 1.37 3h1vX1 LEU 306 HD13 -0.21 -0.02 -0.08 -0.04 0.93 0.58 3h1vX1 LEU 306 HD23 -0.20 -0.03 -0.08 -0.04 0.89 0.54 3h1vX1 LEU 307 H 0.02 0.68 -0.01 -0.55 8.37 8.51 3h1vX1 LEU 307 HA 0.06 -0.02 0.39 -0.75 4.35 4.03 3h1vX1 LEU 307 HB2 0.07 0.09 0.20 -0.04 1.64 1.96 3h1vX1 LEU 307 HB3 0.07 -0.00 -0.02 -0.04 1.64 1.64 3h1vX1 LEU 307 HG 0.06 -0.03 -0.02 -0.04 1.64 1.61 3h1vX1 LEU 307 HD13 0.08 -0.02 -0.18 -0.04 0.93 0.78 3h1vX1 LEU 307 HD23 0.06 0.01 -0.04 -0.04 0.89 0.88 3h1vX1 ARG 308 H 0.11 0.63 -0.17 -0.55 8.46 8.47 3h1vX1 ARG 308 HA 0.07 0.01 0.41 -0.75 4.34 4.08 3h1vX1 ARG 308 HB2 0.22 -0.03 0.09 -0.04 1.90 2.14 3h1vX1 ARG 308 HB3 0.23 0.12 0.19 -0.04 1.80 2.30 3h1vX1 ARG 308 HG2 0.25 -0.03 -0.05 -0.04 1.67 1.80 3h1vX1 ARG 308 HG3 0.10 0.00 -0.47 -0.04 1.67 1.26 3h1vX1 ARG 308 HD2 0.06 -0.00 -0.01 -0.04 3.22 3.22 3h1vX1 ARG 308 HD3 0.07 -0.03 -0.02 -0.04 3.22 3.20 3h1vX1 LEU 309 H 0.01 0.58 -0.21 -0.55 8.37 8.21 3h1vX1 LEU 309 HA -0.01 0.02 0.36 -0.75 4.35 3.96 3h1vX1 LEU 309 HB2 -0.09 0.17 0.16 -0.04 1.64 1.84 3h1vX1 LEU 309 HB3 -0.13 -0.14 -0.16 -0.04 1.64 1.18 3h1vX1 LEU 309 HG -0.09 -0.08 -0.06 -0.04 1.64 1.37 3h1vX1 LEU 309 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 3h1vX1 LEU 309 HD23 -0.12 0.02 -0.12 -0.04 0.89 0.63 3h1vX1 VAL 310 H -0.01 0.59 -0.24 -0.55 8.24 8.03 3h1vX1 VAL 310 HA -0.02 -0.16 0.48 -0.75 4.13 3.67 3h1vX1 VAL 310 HB 0.09 -0.04 -0.13 -0.04 2.12 2.01 3h1vX1 VAL 310 HG13 0.07 0.07 -0.20 -0.04 0.97 0.86 3h1vX1 VAL 310 HG23 0.08 0.04 -0.20 -0.04 0.95 0.83 3h1vX1 ASP 311 H 0.03 0.63 -0.02 -0.55 8.40 8.50 3h1vX1 ASP 311 HA 0.03 0.05 0.41 -0.75 4.63 4.37 3h1vX1 ASP 311 HB2 0.03 0.07 0.09 -0.04 2.71 2.86 3h1vX1 ASP 311 HB3 0.03 -0.04 0.07 -0.04 2.70 2.72 3h1vX1 GLU 312 H 0.02 0.31 -0.54 -0.55 8.60 7.84 3h1vX1 GLU 312 HA 0.02 0.17 0.83 -0.75 4.29 4.56 3h1vX1 GLU 312 HB2 0.01 0.04 0.05 -0.04 2.09 2.15 3h1vX1 GLU 312 HB3 0.01 -0.04 0.11 -0.04 1.99 2.03 3h1vX1 GLU 312 HG2 0.02 -0.02 -0.24 -0.04 2.34 2.06 3h1vX1 GLU 312 HG3 0.03 0.14 -0.04 -0.04 2.34 2.43 3h1vX1 ASN 313 H 0.02 0.63 -0.34 -0.55 8.53 8.29 3h1vX1 ASN 313 HA 0.03 -0.02 0.33 -0.75 4.76 4.35 3h1vX1 ASN 313 HB2 0.02 0.18 -0.25 -0.04 2.88 2.79 3h1vX1 ASN 313 HB3 0.04 -0.10 0.18 -0.04 2.79 2.87 3h1vX1 ASN 313 HD21 0.03 0.01 -0.02 -0.04 7.03 7.01 3h1vX1 ASN 313 HD22 0.02 0.03 -0.28 -0.04 7.74 7.47 3h1vX1 LEU 314 H -0.02 0.50 0.01 -0.55 8.37 8.31 3h1vX1 LEU 314 HA -0.02 0.17 0.77 -0.75 4.35 4.52 3h1vX1 LEU 314 HB2 -0.05 0.06 0.00 -0.04 1.64 1.61 3h1vX1 LEU 314 HB3 -0.04 -0.16 0.10 -0.04 1.64 1.51 3h1vX1 LEU 314 HG -0.00 0.19 -0.28 -0.04 1.64 1.50 3h1vX1 LEU 314 HD13 -0.00 -0.03 -0.11 -0.04 0.93 0.74 3h1vX1 LEU 314 HD23 -0.00 0.00 -0.05 -0.04 0.89 0.80 3h1vX1 LEU 315 H -0.08 0.21 -0.05 -0.55 8.37 7.90 3h1vX1 LEU 315 HA -0.30 0.05 0.73 -0.75 4.35 4.08 3h1vX1 LEU 315 HB2 -0.24 -0.00 -0.47 -0.04 1.64 0.88 3h1vX1 LEU 315 HB3 -0.46 0.06 -0.22 -0.04 1.64 0.97 3h1vX1 LEU 315 HG -0.34 0.04 -0.09 -0.04 1.64 1.21 3h1vX1 LEU 315 HD13 -0.51 0.02 -0.08 -0.04 0.93 0.32 3h1vX1 LEU 315 HD23 -0.98 0.00 0.08 -0.04 0.89 -0.05 3h1vX1 PHE 316 H -0.39 0.09 0.12 -0.55 8.34 7.60 3h1vX1 PHE 316 HA -0.17 0.01 0.32 -0.75 4.62 4.03 3h1vX1 PHE 316 HB2 -0.03 0.09 0.02 -0.04 3.15 3.20 3h1vX1 PHE 316 HB3 -0.04 0.16 0.23 -0.04 3.06 3.37 3h1vX1 PHE 316 HD2 -0.05 0.01 -0.09 -0.04 7.28 7.12 3h1vX1 PHE 316 HE2 -0.04 -0.01 -0.10 -0.04 7.38 7.20 3h1vX1 PHE 316 HZ -0.02 0.02 -0.07 -0.04 7.32 7.20 3h1vX1 HIS 317 H -0.26 0.00 -0.33 -0.55 8.41 7.28 3h1vX1 HIS 317 HA 0.03 0.06 0.13 -0.75 4.63 4.09 3h1vX1 HIS 317 HB2 0.06 0.11 -0.00 -0.04 3.26 3.39 3h1vX1 HIS 317 HB3 0.03 0.06 0.15 -0.04 3.20 3.40 3h1vX1 HIS 317 HD2 0.05 0.06 -0.07 -0.04 6.97 6.97 3h1vX1 HIS 317 HE1 0.02 -0.01 -0.00 -0.04 7.75 7.71 3h1vX1 GLY 318 H 0.06 0.30 -0.40 -0.55 8.43 7.84 3h1vX1 GLY 318 HA2 0.06 0.22 0.42 -0.51 4.01 4.20 3h1vX1 GLY 318 HA3 0.07 0.07 0.47 -0.51 4.01 4.11 3h1vX1 GLU 319 H 0.15 0.41 -0.26 -0.55 8.60 8.36 3h1vX1 GLU 319 HA 0.08 0.15 1.01 -0.75 4.29 4.77 3h1vX1 GLU 319 HB2 0.08 0.05 -0.16 -0.04 2.09 2.02 3h1vX1 GLU 319 HB3 0.11 0.14 0.08 -0.04 1.99 2.27 3h1vX1 GLU 319 HG2 0.04 -0.07 -0.08 -0.04 2.34 2.18 3h1vX1 GLU 319 HG3 0.03 -0.00 -0.40 -0.04 2.34 1.93 3h1vX1 ALA 320 H 0.07 0.23 0.07 -0.55 8.40 8.23 3h1vX1 ALA 320 HA 0.06 0.09 0.82 -0.75 4.34 4.55 3h1vX1 ALA 320 HB3 0.09 0.00 -0.08 -0.04 1.41 1.39 3h1vX1 SER 321 H -0.10 0.09 0.10 -0.55 8.46 8.01 3h1vX1 SER 321 HA -0.03 0.12 0.40 -0.75 4.49 4.22 3h1vX1 SER 321 HB2 -0.05 -0.07 0.23 -0.04 3.95 4.02 3h1vX1 SER 321 HB3 -0.11 0.21 0.08 -0.04 3.93 4.06 3h1vX1 GLU 322 H -0.01 0.16 0.17 -0.55 8.60 8.37 3h1vX1 GLU 322 HA 0.01 0.13 0.50 -0.75 4.29 4.17 3h1vX1 GLU 322 HB2 -0.00 0.04 0.15 -0.04 2.09 2.23 3h1vX1 GLU 322 HB3 -0.01 -0.05 0.15 -0.04 1.99 2.04 3h1vX1 GLU 322 HG2 0.00 0.00 -0.04 -0.04 2.34 2.26 3h1vX1 GLU 322 HG3 0.01 0.02 -0.30 -0.04 2.34 2.03 3h1vX1 GLN 323 H -0.01 0.15 -0.07 -0.55 8.47 7.99 3h1vX1 GLN 323 HA 0.02 0.07 0.39 -0.75 4.36 4.09 3h1vX1 GLN 323 HB2 -0.00 0.19 0.11 -0.04 2.15 2.41 3h1vX1 GLN 323 HB3 0.03 -0.00 0.06 -0.04 2.02 2.06 3h1vX1 GLN 323 HG2 0.00 0.04 0.03 -0.04 2.40 2.43 3h1vX1 GLN 323 HG3 0.00 -0.06 0.01 -0.04 2.39 2.30 3h1vX1 GLN 323 HE21 -0.04 -0.04 -0.36 -0.04 6.97 6.49 3h1vX1 GLN 323 HE22 -0.02 0.12 -0.06 -0.04 7.69 7.69 3h1vX1 LEU 324 H 0.01 0.10 -0.30 -0.55 8.37 7.63 3h1vX1 LEU 324 HA 0.11 0.00 0.27 -0.75 4.35 3.97 3h1vX1 LEU 324 HB2 0.01 -0.02 0.04 -0.04 1.64 1.63 3h1vX1 LEU 324 HB3 0.03 0.12 -0.06 -0.04 1.64 1.69 3h1vX1 LEU 324 HG 0.10 0.06 -0.12 -0.04 1.64 1.64 3h1vX1 LEU 324 HD13 0.17 -0.02 -0.02 -0.04 0.93 1.02 3h1vX1 LEU 324 HD23 0.18 -0.02 -0.12 -0.04 0.89 0.89 3h1vX1 ARG 325 H 0.04 0.40 -0.43 -0.55 8.46 7.92 3h1vX1 ARG 325 HA 0.05 0.06 0.63 -0.75 4.34 4.33 3h1vX1 ARG 325 HB2 0.03 0.06 0.05 -0.04 1.90 2.00 3h1vX1 ARG 325 HB3 0.04 -0.07 0.13 -0.04 1.80 1.86 3h1vX1 ARG 325 HG2 0.05 -0.14 -0.18 -0.04 1.67 1.36 3h1vX1 ARG 325 HG3 0.03 0.27 -0.09 -0.04 1.67 1.84 3h1vX1 ARG 325 HD2 0.03 0.04 -0.03 -0.04 3.22 3.22 3h1vX1 ARG 325 HD3 0.03 -0.03 0.00 -0.04 3.22 3.18 3h1vX1 THR 326 H 0.05 0.54 -0.46 -0.55 8.28 7.87 3h1vX1 THR 326 HA 0.04 0.18 1.23 -0.75 4.39 5.08 3h1vX1 THR 326 HB 0.02 -0.03 0.10 -0.04 4.32 4.37 3h1vX1 THR 326 HG23 0.02 -0.02 -0.03 -0.04 1.22 1.15 3h1vX1 ARG 327 H 0.04 0.19 0.11 -0.55 8.46 8.24 3h1vX1 ARG 327 HA 0.05 -0.02 0.47 -0.75 4.34 4.09 3h1vX1 ARG 327 HB2 0.03 0.05 0.17 -0.04 1.90 2.11 3h1vX1 ARG 327 HB3 0.03 -0.00 0.09 -0.04 1.80 1.87 3h1vX1 ARG 327 HG2 0.04 -0.01 -0.05 -0.04 1.67 1.60 3h1vX1 ARG 327 HG3 0.05 -0.03 0.05 -0.04 1.67 1.70 3h1vX1 ARG 327 HD2 0.03 -0.02 0.05 -0.04 3.22 3.24 3h1vX1 ARG 327 HD3 0.04 0.10 0.03 -0.04 3.22 3.35 3h1vX1 GLY 328 H 0.06 0.11 0.16 -0.55 8.43 8.22 3h1vX1 GLY 328 HA2 0.01 -0.04 0.31 -0.51 4.01 3.78 3h1vX1 GLY 328 HA3 0.00 0.19 0.56 -0.51 4.01 4.24 3h1vX1 ALA 329 H 0.06 0.53 -0.35 -0.55 8.40 8.10 3h1vX1 ALA 329 HA 0.03 0.02 0.29 -0.75 4.34 3.93 3h1vX1 ALA 329 HB3 0.08 0.01 0.03 -0.04 1.41 1.50 3h1vX1 PHE 330 H 0.23 0.12 -0.19 -0.55 8.34 7.94 3h1vX1 PHE 330 HA 0.27 0.13 0.81 -0.75 4.62 5.08 3h1vX1 PHE 330 HB2 0.10 0.04 0.05 -0.04 3.15 3.29 3h1vX1 PHE 330 HB3 0.07 0.10 0.09 -0.04 3.06 3.28 3h1vX1 PHE 330 HD2 0.10 -0.01 -0.13 -0.04 7.28 7.20 3h1vX1 PHE 330 HE2 0.08 -0.04 -0.15 -0.04 7.38 7.23 3h1vX1 PHE 330 HZ 0.07 0.01 -0.13 -0.04 7.32 7.22 3h1vX1 GLU 331 H -0.76 0.26 0.09 -0.55 8.60 7.64 3h1vX1 GLU 331 HA -0.25 0.15 0.37 -0.75 4.29 3.81 3h1vX1 GLU 331 HB2 -1.78 -0.06 0.10 -0.04 2.09 0.31 3h1vX1 GLU 331 HB3 -0.54 -0.12 0.10 -0.04 1.99 1.39 3h1vX1 GLU 331 HG2 -0.30 0.15 0.00 -0.04 2.34 2.15 3h1vX1 GLU 331 HG3 -0.56 0.23 0.06 -0.04 2.34 2.03 3h1vX1 THR 332 H -0.14 0.27 0.22 -0.55 8.28 8.08 3h1vX1 THR 332 HA 0.05 0.10 0.48 -0.75 4.39 4.26 3h1vX1 THR 332 HB -0.06 0.03 0.20 -0.04 4.32 4.44 3h1vX1 THR 332 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 3h1vX1 ARG 333 H -0.20 0.14 -0.17 -0.55 8.46 7.68 3h1vX1 ARG 333 HA -0.03 0.08 0.42 -0.75 4.34 4.05 3h1vX1 ARG 333 HB2 -0.04 0.07 0.06 -0.04 1.90 1.95 3h1vX1 ARG 333 HB3 -0.11 -0.01 0.08 -0.04 1.80 1.72 3h1vX1 ARG 333 HG2 -0.44 -0.09 -0.03 -0.04 1.67 1.06 3h1vX1 ARG 333 HG3 -0.03 0.06 -0.23 -0.04 1.67 1.43 3h1vX1 ARG 333 HD2 -0.03 0.04 -0.03 -0.04 3.22 3.16 3h1vX1 ARG 333 HD3 -0.11 -0.03 -0.00 -0.04 3.22 3.04 3h1vX1 PHE 334 H -0.25 0.30 -0.48 -0.55 8.34 7.35 3h1vX1 PHE 334 HA -0.15 0.05 0.36 -0.75 4.62 4.12 3h1vX1 PHE 334 HB2 -0.73 0.26 0.02 -0.04 3.15 2.65 3h1vX1 PHE 334 HB3 -0.68 -0.01 -0.03 -0.04 3.06 2.30 3h1vX1 PHE 334 HD2 -0.67 -0.03 -0.02 -0.04 7.28 6.52 3h1vX1 PHE 334 HE2 -0.18 0.15 0.06 -0.04 7.38 7.37 3h1vX1 PHE 334 HZ -0.13 0.07 0.03 -0.04 7.32 7.25 3h1vX1 VAL 335 H 0.13 0.29 -0.28 -0.55 8.24 7.84 3h1vX1 VAL 335 HA 0.29 0.06 0.41 -0.75 4.13 4.14 3h1vX1 VAL 335 HB 0.18 0.12 0.13 -0.04 2.12 2.52 3h1vX1 VAL 335 HG13 0.22 -0.01 -0.07 -0.04 0.97 1.07 3h1vX1 VAL 335 HG23 0.28 0.01 -0.05 -0.04 0.95 1.15 3h1vX1 SER 336 H 0.03 0.28 -0.15 -0.55 8.46 8.08 3h1vX1 SER 336 HA -0.57 0.02 0.45 -0.75 4.49 3.64 3h1vX1 SER 336 HB2 -0.04 -0.06 0.06 -0.04 3.95 3.87 3h1vX1 SER 336 HB3 -0.04 0.10 0.11 -0.04 3.93 4.06 3h1vX1 GLN 337 H 0.01 0.51 -0.13 -0.55 8.47 8.31 3h1vX1 GLN 337 HA -0.03 0.08 0.56 -0.75 4.36 4.22 3h1vX1 GLN 337 HB2 0.03 -0.01 0.12 -0.04 2.15 2.26 3h1vX1 GLN 337 HB3 -0.01 -0.06 -0.06 -0.04 2.02 1.85 3h1vX1 GLN 337 HG2 0.00 -0.01 0.00 -0.04 2.40 2.35 3h1vX1 GLN 337 HG3 0.02 0.19 0.06 -0.04 2.39 2.62 3h1vX1 GLN 337 HE21 -0.00 0.02 -0.05 -0.04 6.97 6.89 3h1vX1 GLN 337 HE22 -0.02 -0.03 -0.05 -0.04 7.69 7.55 3h1vX1 VAL 338 H 0.04 0.75 -0.01 -0.55 8.24 8.47 3h1vX1 VAL 338 HA 0.02 -0.14 0.44 -0.75 4.13 3.70 3h1vX1 VAL 338 HB 0.12 0.17 0.17 -0.04 2.12 2.54 3h1vX1 VAL 338 HG13 0.06 -0.00 -0.15 -0.04 0.97 0.84 3h1vX1 VAL 338 HG23 0.17 0.02 0.02 -0.04 0.95 1.12 3h1vX1 GLU 339 H -0.04 0.42 -0.35 -0.55 8.60 8.08 3h1vX1 GLU 339 HA -0.01 0.07 0.42 -0.75 4.29 4.02 3h1vX1 GLU 339 HB2 -0.19 0.02 0.06 -0.04 2.09 1.95 3h1vX1 GLU 339 HB3 -0.00 -0.04 0.12 -0.04 1.99 2.03 3h1vX1 GLU 339 HG2 0.03 -0.01 -0.04 -0.04 2.34 2.28 3h1vX1 GLU 339 HG3 0.04 0.22 0.03 -0.04 2.34 2.59 3h1vX1 SER 340 H -0.05 0.32 -0.48 -0.55 8.46 7.70 3h1vX1 SER 340 HA -0.03 0.15 0.87 -0.75 4.49 4.72 3h1vX1 SER 340 HB2 -0.04 0.06 0.15 -0.04 3.95 4.08 3h1vX1 SER 340 HB3 -0.03 -0.11 0.05 -0.04 3.93 3.81 3h1vX1 ASP 341 H -0.01 0.40 -0.14 -0.55 8.40 8.10 3h1vX1 ASP 341 HA -0.00 -0.13 0.50 -0.75 4.63 4.24 3h1vX1 ASP 341 HB2 0.01 0.08 0.20 -0.04 2.71 2.95 3h1vX1 ASP 341 HB3 0.00 0.18 0.12 -0.04 2.70 2.96 3h1vX1 THR 342 H -0.00 -0.04 0.24 -0.55 8.28 7.93 3h1vX1 THR 342 HA -0.00 0.34 0.49 -0.75 4.39 4.46 3h1vX1 THR 342 HB -0.00 0.08 0.17 -0.04 4.32 4.53 3h1vX1 THR 342 HG23 -0.00 0.03 0.09 -0.04 1.22 1.29 3h1vX1 GLY 343 H 0.00 -0.18 -0.19 -0.55 8.43 7.52 3h1vX1 GLY 343 HA2 0.00 0.07 0.25 -0.51 4.01 3.83 3h1vX1 GLY 343 HA3 -0.00 0.32 0.82 -0.51 4.01 4.63 3h1vX1 ASP 344 H -0.00 0.05 -0.03 -0.55 8.40 7.88 3h1vX1 ASP 344 HA -0.00 0.27 0.64 -0.75 4.63 4.78 3h1vX1 ASP 344 HB2 -0.01 0.09 0.16 -0.04 2.71 2.90 3h1vX1 ASP 344 HB3 -0.01 0.12 0.07 -0.04 2.70 2.84 3h1vX1 ARG 345 H 0.01 -0.05 -0.27 -0.55 8.46 7.60 3h1vX1 ARG 345 HA 0.03 -0.03 0.27 -0.75 4.34 3.86 3h1vX1 ARG 345 HB2 0.03 0.26 -0.03 -0.04 1.90 2.12 3h1vX1 ARG 345 HB3 0.07 -0.08 0.13 -0.04 1.80 1.88 3h1vX1 ARG 345 HG2 0.03 -0.02 -0.07 -0.04 1.67 1.56 3h1vX1 ARG 345 HG3 0.02 0.11 -0.38 -0.04 1.67 1.37 3h1vX1 ARG 345 HD2 0.02 0.05 -0.06 -0.04 3.22 3.18 3h1vX1 ARG 345 HD3 0.04 -0.06 0.02 -0.04 3.22 3.19 3h1vX1 LYS 346 H 0.01 0.05 -0.62 -0.55 8.42 7.31 3h1vX1 LYS 346 HA 0.04 0.16 0.37 -0.75 4.32 4.14 3h1vX1 LYS 346 HB2 0.00 -0.11 0.06 -0.04 1.87 1.78 3h1vX1 LYS 346 HB3 0.01 0.08 -0.09 -0.04 1.79 1.75 3h1vX1 LYS 346 HG2 -0.01 0.02 -0.01 -0.04 1.46 1.42 3h1vX1 LYS 346 HG3 -0.01 0.05 0.01 -0.04 1.46 1.47 3h1vX1 LYS 346 HD2 -0.03 -0.04 0.04 -0.04 1.69 1.62 3h1vX1 LYS 346 HD3 -0.06 0.07 -0.01 -0.04 1.68 1.64 3h1vX1 LYS 346 HE2 -0.07 0.03 0.00 -0.04 2.99 2.91 3h1vX1 LYS 346 HE3 -0.04 0.02 0.01 -0.04 2.99 2.94 3h1vX1 GLN 347 H 0.01 0.02 -0.07 -0.55 8.47 7.90 3h1vX1 GLN 347 HA -0.00 0.14 0.49 -0.75 4.36 4.24 3h1vX1 GLN 347 HB2 -0.00 -0.02 -0.03 -0.04 2.15 2.06 3h1vX1 GLN 347 HB3 -0.02 0.06 -0.11 -0.04 2.02 1.91 3h1vX1 GLN 347 HG2 -0.00 -0.16 0.07 -0.04 2.40 2.27 3h1vX1 GLN 347 HG3 -0.01 0.09 -0.05 -0.04 2.39 2.39 3h1vX1 GLN 347 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.91 3h1vX1 GLN 347 HE22 -0.01 0.09 -0.07 -0.04 7.69 7.65 3h1vX1 ILE 348 H 0.03 -0.03 -0.26 -0.55 8.25 7.44 3h1vX1 ILE 348 HA -0.00 0.07 0.38 -0.75 4.18 3.87 3h1vX1 ILE 348 HB 0.05 0.01 0.12 -0.04 1.89 2.03 3h1vX1 ILE 348 HG12 0.04 0.04 0.07 -0.04 1.49 1.59 3h1vX1 ILE 348 HG13 0.02 -0.10 0.09 -0.04 1.21 1.18 3h1vX1 ILE 348 HG23 0.06 0.03 -0.05 -0.04 0.93 0.92 3h1vX1 ILE 348 HD13 0.02 0.05 0.02 -0.04 0.88 0.93 3h1vX1 TYR 349 H 0.14 0.74 -0.01 -0.55 8.29 8.62 3h1vX1 TYR 349 HA -0.01 -0.01 0.41 -0.75 4.56 4.20 3h1vX1 TYR 349 HB2 -0.01 0.02 0.09 -0.04 3.06 3.13 3h1vX1 TYR 349 HB3 -0.02 0.04 0.13 -0.04 2.98 3.09 3h1vX1 TYR 349 HD2 -0.01 0.02 -0.16 -0.04 7.15 6.96 3h1vX1 TYR 349 HE2 -0.02 0.04 -0.02 -0.04 6.85 6.81 3h1vX1 ASN 350 H 0.10 0.60 -0.18 -0.55 8.53 8.51 3h1vX1 ASN 350 HA -0.00 0.02 0.39 -0.75 4.76 4.42 3h1vX1 ASN 350 HB2 -0.00 0.04 0.16 -0.04 2.88 3.04 3h1vX1 ASN 350 HB3 -0.03 -0.03 0.04 -0.04 2.79 2.73 3h1vX1 ASN 350 HD21 0.04 -0.05 0.00 -0.04 7.03 6.98 3h1vX1 ASN 350 HD22 0.03 -0.03 -0.03 -0.04 7.74 7.66 3h1vX1 ILE 351 H -0.14 0.56 -0.15 -0.55 8.25 7.97 3h1vX1 ILE 351 HA -0.41 0.03 0.58 -0.75 4.18 3.63 3h1vX1 ILE 351 HB -0.22 0.10 0.14 -0.04 1.89 1.87 3h1vX1 ILE 351 HG12 -0.72 -0.07 0.02 -0.04 1.49 0.68 3h1vX1 ILE 351 HG13 -0.27 0.01 0.02 -0.04 1.21 0.93 3h1vX1 ILE 351 HG23 -0.78 -0.02 -0.23 -0.04 0.93 -0.13 3h1vX1 ILE 351 HD13 -0.10 -0.00 -0.09 -0.04 0.88 0.64 3h1vX1 LEU 352 H -0.19 0.66 -0.03 -0.55 8.37 8.26 3h1vX1 LEU 352 HA -0.15 0.01 0.39 -0.75 4.35 3.84 3h1vX1 LEU 352 HB2 -0.24 0.11 0.10 -0.04 1.64 1.57 3h1vX1 LEU 352 HB3 -0.20 -0.10 -0.05 -0.04 1.64 1.25 3h1vX1 LEU 352 HG -0.00 0.19 0.04 -0.04 1.64 1.83 3h1vX1 LEU 352 HD13 0.17 -0.04 -0.14 -0.04 0.93 0.88 3h1vX1 LEU 352 HD23 0.19 -0.01 -0.07 -0.04 0.89 0.96 3h1vX1 SER 353 H -0.36 0.60 -0.14 -0.55 8.46 8.02 3h1vX1 SER 353 HA -0.29 0.40 0.40 -0.75 4.49 4.25 3h1vX1 SER 353 HB2 -0.22 -0.00 0.14 -0.04 3.95 3.83 3h1vX1 SER 353 HB3 -0.75 0.07 0.14 -0.04 3.93 3.35 3h1vX1 THR 354 H -0.17 0.41 -0.09 -0.55 8.28 7.88 3h1vX1 THR 354 HA -0.08 0.00 0.46 -0.75 4.39 4.02 3h1vX1 THR 354 HB -0.21 0.20 0.03 -0.04 4.32 4.30 3h1vX1 THR 354 HG23 -0.06 -0.03 0.03 -0.04 1.22 1.12 3h1vX1 LEU 355 H -0.17 0.42 -0.69 -0.55 8.37 7.38 3h1vX1 LEU 355 HA -0.05 0.10 0.73 -0.75 4.35 4.38 3h1vX1 LEU 355 HB2 -0.12 0.13 0.14 -0.04 1.64 1.75 3h1vX1 LEU 355 HB3 -0.03 -0.16 0.11 -0.04 1.64 1.52 3h1vX1 LEU 355 HG -0.21 0.20 -0.02 -0.04 1.64 1.56 3h1vX1 LEU 355 HD13 0.14 -0.05 -0.09 -0.04 0.93 0.89 3h1vX1 LEU 355 HD23 0.09 0.02 -0.06 -0.04 0.89 0.90 3h1vX1 GLY 356 H -0.11 0.44 -0.24 -0.55 8.43 7.97 3h1vX1 GLY 356 HA2 -0.08 0.07 0.33 -0.51 4.01 3.83 3h1vX1 GLY 356 HA3 -0.07 -0.07 0.55 -0.51 4.01 3.90 3h1vX1 LEU 357 H -0.20 0.43 0.10 -0.55 8.37 8.16 3h1vX1 LEU 357 HA -0.25 0.21 0.95 -0.75 4.35 4.51 3h1vX1 LEU 357 HB2 -0.40 0.05 -0.09 -0.04 1.64 1.16 3h1vX1 LEU 357 HB3 -0.68 -0.12 -0.05 -0.04 1.64 0.75 3h1vX1 LEU 357 HG -0.31 0.06 -0.41 -0.04 1.64 0.93 3h1vX1 LEU 357 HD13 -0.40 -0.01 -0.06 -0.04 0.93 0.43 3h1vX1 LEU 357 HD23 -1.05 -0.04 0.05 -0.04 0.89 -0.19 3h1vX1 ARG 358 H -0.20 0.18 -0.02 -0.55 8.46 7.87 3h1vX1 ARG 358 HA -0.11 0.20 0.78 -0.75 4.34 4.46 3h1vX1 ARG 358 HB2 0.02 -0.05 0.20 -0.04 1.90 2.04 3h1vX1 ARG 358 HB3 0.05 0.03 0.05 -0.04 1.80 1.88 3h1vX1 ARG 358 HG2 -0.06 -0.02 -0.11 -0.04 1.67 1.44 3h1vX1 ARG 358 HG3 0.00 0.01 -0.04 -0.04 1.67 1.60 3h1vX1 ARG 358 HD2 -0.06 0.05 -0.42 -0.04 3.22 2.75 3h1vX1 ARG 358 HD3 -0.01 -0.01 -0.11 -0.04 3.22 3.05 3h1vX1 PRO 359 HA 0.17 0.01 0.47 -0.51 4.44 4.58 3h1vX1 PRO 359 HB2 0.15 0.02 -0.08 -0.04 2.28 2.33 3h1vX1 PRO 359 HB3 0.28 0.01 -0.03 -0.04 2.02 2.24 3h1vX1 PRO 359 HG2 0.04 0.02 0.00 -0.04 2.03 2.05 3h1vX1 PRO 359 HG3 -0.15 0.05 -0.04 -0.04 2.03 1.85 3h1vX1 PRO 359 HD2 -0.44 0.14 0.09 -0.04 3.68 3.43 3h1vX1 PRO 359 HD3 -0.35 0.20 -0.37 -0.04 3.65 3.08 3h1vX1 SER 360 H 0.07 0.01 0.22 -0.55 8.46 8.21 3h1vX1 SER 360 HA 0.09 0.28 0.75 -0.75 4.49 4.85 3h1vX1 SER 360 HB2 0.05 0.05 0.20 -0.04 3.95 4.21 3h1vX1 SER 360 HB3 0.04 0.17 0.16 -0.04 3.93 4.26 3h1vX1 THR 361 H 0.05 0.25 0.15 -0.55 8.28 8.18 3h1vX1 THR 361 HA 0.04 0.11 0.52 -0.75 4.39 4.31 3h1vX1 THR 361 HB 0.03 -0.01 0.20 -0.04 4.32 4.50 3h1vX1 THR 361 HG23 0.01 0.02 -0.08 -0.04 1.22 1.13 3h1vX1 THR 362 H 0.01 0.09 -0.14 -0.55 8.28 7.70 3h1vX1 THR 362 HA -0.01 0.16 0.37 -0.75 4.39 4.16 3h1vX1 THR 362 HB -0.02 0.07 0.05 -0.04 4.32 4.38 3h1vX1 THR 362 HG23 0.01 0.03 0.01 -0.04 1.22 1.22 3h1vX1 ASP 363 H -0.02 -0.01 -0.19 -0.55 8.40 7.63 3h1vX1 ASP 363 HA -0.16 0.08 0.51 -0.75 4.63 4.31 3h1vX1 ASP 363 HB2 0.07 0.15 0.21 -0.04 2.71 3.10 3h1vX1 ASP 363 HB3 0.12 0.08 0.03 -0.04 2.70 2.89 3h1vX1 CYS 364 H 0.05 0.59 -0.21 -0.55 8.50 8.38 3h1vX1 CYS 364 HA 0.06 0.01 0.35 -0.75 4.58 4.24 3h1vX1 CYS 364 HB2 0.05 0.20 0.12 -0.04 2.97 3.30 3h1vX1 CYS 364 HB3 0.05 -0.09 0.01 -0.04 2.97 2.89 3h1vX1 ASP 365 H -0.00 0.34 -0.31 -0.55 8.40 7.88 3h1vX1 ASP 365 HA -0.00 0.04 0.18 -0.75 4.63 4.09 3h1vX1 ASP 365 HB2 -0.02 0.05 0.10 -0.04 2.71 2.80 3h1vX1 ASP 365 HB3 -0.01 -0.01 0.01 -0.04 2.70 2.64 3h1vX1 ILE 366 H -0.05 0.49 -0.12 -0.55 8.25 8.01 3h1vX1 ILE 366 HA -0.07 0.03 0.57 -0.75 4.18 3.96 3h1vX1 ILE 366 HB -0.15 0.08 0.21 -0.04 1.89 1.99 3h1vX1 ILE 366 HG12 -0.07 -0.07 0.07 -0.04 1.49 1.38 3h1vX1 ILE 366 HG13 -0.06 0.12 0.12 -0.04 1.21 1.34 3h1vX1 ILE 366 HG23 -0.14 -0.00 -0.14 -0.04 0.93 0.60 3h1vX1 ILE 366 HD13 -0.10 -0.03 0.02 -0.04 0.88 0.74 3h1vX1 VAL 367 H -0.07 0.63 -0.04 -0.55 8.24 8.21 3h1vX1 VAL 367 HA -0.10 0.01 0.41 -0.75 4.13 3.70 3h1vX1 VAL 367 HB 0.04 0.10 0.11 -0.04 2.12 2.33 3h1vX1 VAL 367 HG13 0.09 -0.01 -0.11 -0.04 0.97 0.91 3h1vX1 VAL 367 HG23 0.02 0.03 0.00 -0.04 0.95 0.96 3h1vX1 ARG 368 H -0.01 0.45 -0.31 -0.55 8.46 8.03 3h1vX1 ARG 368 HA 0.01 -0.00 0.41 -0.75 4.34 4.00 3h1vX1 ARG 368 HB2 0.00 0.06 0.13 -0.04 1.90 2.05 3h1vX1 ARG 368 HB3 -0.01 0.19 0.14 -0.04 1.80 2.08 3h1vX1 ARG 368 HG2 0.00 -0.02 -0.00 -0.04 1.67 1.61 3h1vX1 ARG 368 HG3 -0.00 0.02 -0.04 -0.04 1.67 1.60 3h1vX1 ARG 368 HD2 -0.00 -0.09 -0.11 -0.04 3.22 2.98 3h1vX1 ARG 368 HD3 0.01 -0.01 -0.15 -0.04 3.22 3.03 3h1vX1 ARG 369 H -0.04 0.48 -0.12 -0.55 8.46 8.22 3h1vX1 ARG 369 HA -0.05 0.00 0.42 -0.75 4.34 3.96 3h1vX1 ARG 369 HB2 -0.06 0.08 0.21 -0.04 1.90 2.09 3h1vX1 ARG 369 HB3 -0.06 -0.05 -0.00 -0.04 1.80 1.64 3h1vX1 ARG 369 HG2 -0.03 0.11 0.10 -0.04 1.67 1.80 3h1vX1 ARG 369 HG3 -0.03 -0.05 0.02 -0.04 1.67 1.57 3h1vX1 ARG 369 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.13 3h1vX1 ARG 369 HD3 -0.02 0.00 -0.01 -0.04 3.22 3.15 3h1vX1 ALA 370 H -0.11 0.63 -0.15 -0.55 8.40 8.22 3h1vX1 ALA 370 HA -0.23 0.02 0.41 -0.75 4.34 3.79 3h1vX1 ALA 370 HB3 -0.20 0.02 0.03 -0.04 1.41 1.23 3h1vX1 CYS 371 H -0.09 0.51 -0.23 -0.55 8.50 8.15 3h1vX1 CYS 371 HA -0.06 -0.06 0.44 -0.75 4.58 4.15 3h1vX1 CYS 371 HB2 0.02 0.16 0.23 -0.04 2.97 3.34 3h1vX1 CYS 371 HB3 0.08 -0.03 0.09 -0.04 2.97 3.07 3h1vX1 GLU 372 H -0.05 0.68 -0.01 -0.55 8.60 8.67 3h1vX1 GLU 372 HA -0.01 -0.03 0.29 -0.75 4.29 3.79 3h1vX1 GLU 372 HB2 -0.06 0.08 0.03 -0.04 2.09 2.10 3h1vX1 GLU 372 HB3 -0.04 -0.04 -0.01 -0.04 1.99 1.85 3h1vX1 GLU 372 HG2 0.01 -0.05 0.00 -0.04 2.34 2.26 3h1vX1 GLU 372 HG3 -0.01 0.22 0.07 -0.04 2.34 2.58 3h1vX1 SER 373 H -0.18 0.48 -0.28 -0.55 8.46 7.93 3h1vX1 SER 373 HA -0.15 0.04 0.56 -0.75 4.49 4.18 3h1vX1 SER 373 HB2 -0.51 0.14 0.13 -0.04 3.95 3.67 3h1vX1 SER 373 HB3 -0.59 0.01 -0.06 -0.04 3.93 3.24 3h1vX1 VAL 374 H -0.38 0.50 -0.04 -0.55 8.24 7.77 3h1vX1 VAL 374 HA -0.24 0.09 0.64 -0.75 4.13 3.87 3h1vX1 VAL 374 HB -0.16 0.06 0.19 -0.04 2.12 2.18 3h1vX1 VAL 374 HG13 0.01 0.00 -0.02 -0.04 0.97 0.92 3h1vX1 VAL 374 HG23 -0.45 0.02 -0.02 -0.04 0.95 0.46 3h1vX1 SER 375 H -0.09 0.58 -0.05 -0.55 8.46 8.35 3h1vX1 SER 375 HA -0.03 0.05 0.29 -0.75 4.49 4.05 3h1vX1 SER 375 HB2 -0.38 -0.11 0.01 -0.04 3.95 3.43 3h1vX1 SER 375 HB3 0.01 0.03 0.05 -0.04 3.93 3.98 3h1vX1 THR 376 H -0.13 0.64 -0.06 -0.55 8.28 8.18 3h1vX1 THR 376 HA -0.31 -0.03 0.61 -0.75 4.39 3.91 3h1vX1 THR 376 HB -0.18 0.10 0.15 -0.04 4.32 4.35 3h1vX1 THR 376 HG23 -0.47 -0.02 -0.06 -0.04 1.22 0.63 3h1vX1 ARG 377 H -0.08 0.42 -0.33 -0.55 8.46 7.92 3h1vX1 ARG 377 HA -0.03 0.01 0.39 -0.75 4.34 3.95 3h1vX1 ARG 377 HB2 0.17 0.19 0.20 -0.04 1.90 2.41 3h1vX1 ARG 377 HB3 0.16 0.08 0.18 -0.04 1.80 2.18 3h1vX1 ARG 377 HG2 0.06 -0.17 0.02 -0.04 1.67 1.53 3h1vX1 ARG 377 HG3 0.09 0.14 0.08 -0.04 1.67 1.94 3h1vX1 ARG 377 HD2 0.05 -0.06 0.00 -0.04 3.22 3.18 3h1vX1 ARG 377 HD3 0.12 0.08 0.09 -0.04 3.22 3.47 3h1vX1 ALA 378 H -0.01 0.41 -0.11 -0.55 8.40 8.14 3h1vX1 ALA 378 HA 0.02 0.06 0.47 -0.75 4.34 4.14 3h1vX1 ALA 378 HB3 0.14 0.04 0.19 -0.04 1.41 1.73 3h1vX1 ALA 379 H -0.22 0.56 -0.15 -0.55 8.40 8.05 3h1vX1 ALA 379 HA -0.70 -0.06 0.33 -0.75 4.34 3.15 3h1vX1 ALA 379 HB3 -0.60 0.02 0.04 -0.04 1.41 0.83 3h1vX1 HIS 380 H -0.04 0.57 -0.19 -0.55 8.41 8.21 3h1vX1 HIS 380 HA -0.06 0.03 0.46 -0.75 4.63 4.31 3h1vX1 HIS 380 HB2 -0.04 0.11 0.10 -0.04 3.26 3.39 3h1vX1 HIS 380 HB3 -0.05 -0.04 -0.08 -0.04 3.20 2.98 3h1vX1 HIS 380 HD2 -0.11 -0.05 -0.20 -0.04 6.97 6.56 3h1vX1 HIS 380 HE1 -0.03 -0.03 -0.01 -0.04 7.75 7.64 3h1vX1 MET 381 H 0.05 0.73 -0.07 -0.55 8.47 8.63 3h1vX1 MET 381 HA 0.01 -0.00 0.44 -0.75 4.52 4.21 3h1vX1 MET 381 HB2 -0.01 0.48 0.18 -0.04 2.15 2.77 3h1vX1 MET 381 HB3 -0.11 -0.05 -0.06 -0.04 2.03 1.77 3h1vX1 MET 381 HG2 -0.02 0.06 -0.03 -0.04 2.63 2.60 3h1vX1 MET 381 HG3 -0.04 -0.07 -0.07 -0.04 2.56 2.35 3h1vX1 MET 381 HE3 -0.26 0.01 -0.05 -0.04 2.10 1.76 3h1vX1 CYS 382 H 0.06 0.69 -0.22 -0.55 8.50 8.48 3h1vX1 CYS 382 HA -0.03 -0.06 0.42 -0.75 4.58 4.15 3h1vX1 CYS 382 HB2 0.14 0.11 0.06 -0.04 2.97 3.24 3h1vX1 CYS 382 HB3 0.31 0.13 0.06 -0.04 2.97 3.44 3h1vX1 SER 383 H 0.20 0.51 -0.29 -0.55 8.46 8.33 3h1vX1 SER 383 HA -0.05 -0.05 0.24 -0.75 4.49 3.89 3h1vX1 SER 383 HB2 -0.23 -0.06 -0.23 -0.04 3.95 3.38 3h1vX1 SER 383 HB3 -0.21 0.08 0.12 -0.04 3.93 3.88 3h1vX1 ALA 384 H 0.01 0.39 -0.46 -0.55 8.40 7.79 3h1vX1 ALA 384 HA -0.07 0.09 0.49 -0.75 4.34 4.10 3h1vX1 ALA 384 HB3 -0.06 0.03 0.07 -0.04 1.41 1.41 3h1vX1 GLY 385 H -0.12 0.33 -0.23 -0.55 8.43 7.87 3h1vX1 GLY 385 HA2 -0.47 0.03 0.42 -0.51 4.01 3.48 3h1vX1 GLY 385 HA3 -0.98 -0.00 0.24 -0.51 4.01 2.76 3h1vX1 LEU 386 H 0.11 0.58 -0.06 -0.55 8.37 8.46 3h1vX1 LEU 386 HA 0.55 -0.03 0.35 -0.75 4.35 4.47 3h1vX1 LEU 386 HB2 0.61 0.06 0.00 -0.04 1.64 2.27 3h1vX1 LEU 386 HB3 0.27 0.11 -0.18 -0.04 1.64 1.79 3h1vX1 LEU 386 HG 0.61 -0.06 -0.12 -0.04 1.64 2.04 3h1vX1 LEU 386 HD13 0.52 0.01 -0.19 -0.04 0.93 1.23 3h1vX1 LEU 386 HD23 0.24 -0.03 -0.09 -0.04 0.89 0.98 3h1vX1 ALA 387 H 0.04 0.58 -0.17 -0.55 8.40 8.31 3h1vX1 ALA 387 HA 0.02 0.01 0.46 -0.75 4.34 4.07 3h1vX1 ALA 387 HB3 -0.04 0.06 0.05 -0.04 1.41 1.44 3h1vX1 GLY 388 H -0.03 0.39 -0.48 -0.55 8.43 7.76 3h1vX1 GLY 388 HA2 -0.06 0.03 0.34 -0.51 4.01 3.82 3h1vX1 GLY 388 HA3 -0.08 0.07 0.33 -0.51 4.01 3.82 3h1vX1 VAL 389 H 0.06 0.36 -0.12 -0.55 8.24 7.99 3h1vX1 VAL 389 HA -0.21 0.00 0.35 -0.75 4.13 3.52 3h1vX1 VAL 389 HB 0.11 0.09 0.12 -0.04 2.12 2.40 3h1vX1 VAL 389 HG13 -0.30 -0.01 -0.20 -0.04 0.97 0.42 3h1vX1 VAL 389 HG23 0.10 0.00 -0.06 -0.04 0.95 0.95 3h1vX1 ILE 390 H 0.01 0.66 -0.08 -0.55 8.25 8.29 3h1vX1 ILE 390 HA -0.04 -0.01 0.32 -0.75 4.18 3.70 3h1vX1 ILE 390 HB 0.00 0.09 0.08 -0.04 1.89 2.02 3h1vX1 ILE 390 HG12 -0.01 -0.04 -0.11 -0.04 1.49 1.29 3h1vX1 ILE 390 HG13 0.04 0.01 -0.04 -0.04 1.21 1.18 3h1vX1 ILE 390 HG23 -0.02 0.01 -0.18 -0.04 0.93 0.70 3h1vX1 ILE 390 HD13 0.01 -0.02 -0.19 -0.04 0.88 0.65 3h1vX1 ASN 391 H -0.03 0.70 -0.05 -0.55 8.53 8.60 3h1vX1 ASN 391 HA -0.02 0.05 0.56 -0.75 4.76 4.59 3h1vX1 ASN 391 HB2 -0.03 0.06 0.10 -0.04 2.88 2.96 3h1vX1 ASN 391 HB3 -0.03 -0.06 0.03 -0.04 2.79 2.69 3h1vX1 ASN 391 HD21 -0.03 0.47 0.16 -0.04 7.03 7.59 3h1vX1 ASN 391 HD22 -0.03 -0.13 -0.06 -0.04 7.74 7.48 3h1vX1 ARG 392 H -0.07 0.64 -0.10 -0.55 8.46 8.38 3h1vX1 ARG 392 HA -0.04 0.02 0.61 -0.75 4.34 4.18 3h1vX1 ARG 392 HB2 -0.08 0.02 0.14 -0.04 1.90 1.94 3h1vX1 ARG 392 HB3 -0.16 0.14 0.17 -0.04 1.80 1.92 3h1vX1 ARG 392 HG2 -0.05 -0.02 -0.35 -0.04 1.67 1.21 3h1vX1 ARG 392 HG3 -0.03 -0.03 0.02 -0.04 1.67 1.59 3h1vX1 ARG 392 HD2 -0.05 0.00 -0.04 -0.04 3.22 3.09 3h1vX1 ARG 392 HD3 -0.18 -0.04 -0.07 -0.04 3.22 2.90 3h1vX1 MET 393 H -0.08 0.54 -0.15 -0.55 8.47 8.23 3h1vX1 MET 393 HA 0.01 -0.01 0.36 -0.75 4.52 4.13 3h1vX1 MET 393 HB2 -0.03 0.15 0.13 -0.04 2.15 2.36 3h1vX1 MET 393 HB3 0.02 -0.04 -0.03 -0.04 2.03 1.94 3h1vX1 MET 393 HG2 0.11 -0.02 -0.03 -0.04 2.63 2.65 3h1vX1 MET 393 HG3 -0.22 0.21 0.03 -0.04 2.56 2.54 3h1vX1 MET 393 HE3 0.10 0.04 -0.03 -0.04 2.10 2.17 3h1vX1 ARG 394 H -0.02 0.64 -0.08 -0.55 8.46 8.44 3h1vX1 ARG 394 HA -0.00 -0.03 0.46 -0.75 4.34 4.01 3h1vX1 ARG 394 HB2 -0.01 -0.06 0.08 -0.04 1.90 1.87 3h1vX1 ARG 394 HB3 -0.02 0.05 0.20 -0.04 1.80 2.00 3h1vX1 ARG 394 HG2 -0.01 -0.03 -0.09 -0.04 1.67 1.49 3h1vX1 ARG 394 HG3 -0.01 0.04 0.01 -0.04 1.67 1.67 3h1vX1 ARG 394 HD2 -0.01 -0.13 0.00 -0.04 3.22 3.05 3h1vX1 ARG 394 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.14 3h1vX1 GLU 395 H -0.01 0.39 -0.37 -0.55 8.60 8.07 3h1vX1 GLU 395 HA -0.00 0.03 0.42 -0.75 4.29 3.98 3h1vX1 GLU 395 HB2 -0.01 0.05 0.14 -0.04 2.09 2.22 3h1vX1 GLU 395 HB3 -0.01 0.20 0.25 -0.04 1.99 2.38 3h1vX1 GLU 395 HG2 -0.01 -0.04 0.00 -0.04 2.34 2.26 3h1vX1 GLU 395 HG3 -0.00 -0.02 -0.15 -0.04 2.34 2.13 3h1vX1 SER 396 H 0.00 0.59 0.03 -0.55 8.46 8.53 3h1vX1 SER 396 HA 0.01 0.01 0.41 -0.75 4.49 4.17 3h1vX1 SER 396 HB2 0.03 0.05 0.14 -0.04 3.95 4.14 3h1vX1 SER 396 HB3 0.03 -0.12 0.09 -0.04 3.93 3.89 3h1vX1 ARG 397 H 0.01 0.44 -0.31 -0.55 8.46 8.05 3h1vX1 ARG 397 HA 0.01 0.08 0.57 -0.75 4.34 4.24 3h1vX1 ARG 397 HB2 0.01 0.09 0.02 -0.04 1.90 1.98 3h1vX1 ARG 397 HB3 0.01 -0.07 0.05 -0.04 1.80 1.75 3h1vX1 ARG 397 HG2 0.02 -0.06 -0.05 -0.04 1.67 1.54 3h1vX1 ARG 397 HG3 0.02 -0.05 -0.07 -0.04 1.67 1.54 3h1vX1 ARG 397 HD2 0.02 0.08 -0.09 -0.04 3.22 3.19 3h1vX1 ARG 397 HD3 0.02 -0.05 -0.04 -0.04 3.22 3.11 3h1vX1 SER 398 H 0.00 0.19 -0.58 -0.55 8.46 7.52 3h1vX1 SER 398 HA -0.00 0.06 0.32 -0.75 4.49 4.12 3h1vX1 SER 398 HB2 0.00 0.08 -0.30 -0.04 3.95 3.70 3h1vX1 SER 398 HB3 0.00 -0.10 0.25 -0.04 3.93 4.04 3h1vX1 GLU 399 H -0.00 0.50 0.02 -0.55 8.60 8.57 3h1vX1 GLU 399 HA -0.00 0.26 1.22 -0.75 4.29 5.01 3h1vX1 GLU 399 HB2 -0.00 -0.05 -0.26 -0.04 2.09 1.74 3h1vX1 GLU 399 HB3 0.00 0.02 -0.01 -0.04 1.99 1.96 3h1vX1 GLU 399 HG2 0.00 0.12 -0.41 -0.04 2.34 2.01 3h1vX1 GLU 399 HG3 0.00 0.01 -0.09 -0.04 2.34 2.22 3h1vX1 ASP 400 H -0.00 0.09 0.07 -0.55 8.40 8.01 3h1vX1 ASP 400 HA -0.00 0.09 0.29 -0.75 4.63 4.25 3h1vX1 ASP 400 HB2 -0.00 0.01 0.06 -0.04 2.71 2.73 3h1vX1 ASP 400 HB3 -0.00 0.03 0.11 -0.04 2.70 2.79 3h1vX1 VAL 401 H -0.01 0.05 0.07 -0.55 8.24 7.80 3h1vX1 VAL 401 HA -0.01 0.56 1.01 -0.75 4.13 4.94 3h1vX1 VAL 401 HB -0.01 -0.02 -0.12 -0.04 2.12 1.94 3h1vX1 VAL 401 HG13 -0.01 -0.02 -0.04 -0.04 0.97 0.86 3h1vX1 VAL 401 HG23 -0.01 -0.03 0.09 -0.04 0.95 0.97 3h1vX1 MET 402 H -0.01 0.59 0.15 -0.55 8.47 8.65 3h1vX1 MET 402 HA -0.01 0.08 0.65 -0.75 4.52 4.48 3h1vX1 MET 402 HB2 -0.01 0.11 0.00 -0.04 2.15 2.22 3h1vX1 MET 402 HB3 -0.01 -0.05 0.08 -0.04 2.03 2.01 3h1vX1 MET 402 HG2 -0.01 0.05 -0.33 -0.04 2.63 2.30 3h1vX1 MET 402 HG3 -0.00 -0.00 -0.07 -0.04 2.56 2.44 3h1vX1 MET 402 HE3 -0.01 -0.01 -0.10 -0.04 2.10 1.93 3h1vX1 ARG 403 H -0.01 0.21 0.16 -0.55 8.46 8.27 3h1vX1 ARG 403 HA -0.03 0.24 0.92 -0.75 4.34 4.72 3h1vX1 ARG 403 HB2 -0.02 -0.03 0.16 -0.04 1.90 1.97 3h1vX1 ARG 403 HB3 -0.03 0.01 0.06 -0.04 1.80 1.81 3h1vX1 ARG 403 HG2 -0.02 -0.01 -0.15 -0.04 1.67 1.46 3h1vX1 ARG 403 HG3 -0.01 0.12 -0.05 -0.04 1.67 1.69 3h1vX1 ARG 403 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.11 3h1vX1 ARG 403 HD3 -0.01 0.00 0.01 -0.04 3.22 3.18 3h1vX1 ILE 404 H -0.05 0.53 0.19 -0.55 8.25 8.37 3h1vX1 ILE 404 HA -0.02 0.19 0.81 -0.75 4.18 4.40 3h1vX1 ILE 404 HB -0.02 0.04 -0.23 -0.04 1.89 1.63 3h1vX1 ILE 404 HG12 -0.03 -0.09 -0.22 -0.04 1.49 1.11 3h1vX1 ILE 404 HG13 -0.01 0.09 0.16 -0.04 1.21 1.41 3h1vX1 ILE 404 HG23 -0.07 -0.01 -0.18 -0.04 0.93 0.63 3h1vX1 ILE 404 HD13 0.02 -0.01 -0.07 -0.04 0.88 0.78 3h1vX1 THR 405 H -0.03 0.52 0.06 -0.55 8.28 8.28 3h1vX1 THR 405 HA -0.14 0.30 0.89 -0.75 4.39 4.68 3h1vX1 THR 405 HB -0.02 -0.05 -0.38 -0.04 4.32 3.82 3h1vX1 THR 405 HG23 -0.03 0.00 -0.28 -0.04 1.22 0.87 3h1vX1 VAL 406 H -0.21 0.78 0.32 -0.55 8.24 8.58 3h1vX1 VAL 406 HA -0.03 0.17 0.79 -0.75 4.13 4.30 3h1vX1 VAL 406 HB -0.25 -0.03 0.01 -0.04 2.12 1.80 3h1vX1 VAL 406 HG13 0.13 -0.02 -0.30 -0.04 0.97 0.75 3h1vX1 VAL 406 HG23 -0.14 0.01 -0.25 -0.04 0.95 0.54 3h1vX1 GLY 407 H 0.01 0.59 0.32 -0.55 8.43 8.81 3h1vX1 GLY 407 HA2 0.03 0.28 0.82 -0.51 4.01 4.63 3h1vX1 GLY 407 HA3 0.02 0.03 0.24 -0.51 4.01 3.79 3h1vX1 VAL 408 H 0.00 0.48 0.38 -0.55 8.24 8.56 3h1vX1 VAL 408 HA -0.11 0.22 1.14 -0.75 4.13 4.62 3h1vX1 VAL 408 HB -0.29 -0.01 -0.06 -0.04 2.12 1.72 3h1vX1 VAL 408 HG13 -0.91 -0.01 -0.16 -0.04 0.97 -0.15 3h1vX1 VAL 408 HG23 0.02 0.04 -0.35 -0.04 0.95 0.61 3h1vX1 ASP 409 H -0.11 0.53 0.42 -0.55 8.40 8.69 3h1vX1 ASP 409 HA -0.01 0.23 0.90 -0.75 4.63 5.00 3h1vX1 ASP 409 HB2 -0.02 0.03 -0.23 -0.04 2.71 2.45 3h1vX1 ASP 409 HB3 -0.04 -0.05 -0.08 -0.04 2.70 2.49 3h1vX1 GLY 410 H -0.00 0.18 0.08 -0.55 8.43 8.14 3h1vX1 GLY 410 HA2 -0.03 -0.06 0.29 -0.51 4.01 3.70 3h1vX1 GLY 410 HA3 -0.05 0.17 0.49 -0.51 4.01 4.11 3h1vX1 SER 411 H -0.04 0.01 0.26 -0.55 8.46 8.15 3h1vX1 SER 411 HA -0.01 0.13 0.28 -0.75 4.49 4.14 3h1vX1 SER 411 HB2 -0.03 0.10 0.02 -0.04 3.95 4.00 3h1vX1 SER 411 HB3 -0.02 0.04 0.11 -0.04 3.93 4.01 3h1vX1 VAL 412 H -0.09 0.03 0.07 -0.55 8.24 7.70 3h1vX1 VAL 412 HA -0.12 0.04 0.40 -0.75 4.13 3.71 3h1vX1 VAL 412 HB -0.30 0.06 -0.06 -0.04 2.12 1.78 3h1vX1 VAL 412 HG13 -0.80 0.05 -0.16 -0.04 0.97 0.02 3h1vX1 VAL 412 HG23 -0.10 -0.02 -0.00 -0.04 0.95 0.79 3h1vX1 TYR 413 H -0.19 0.32 -0.09 -0.55 8.29 7.78 3h1vX1 TYR 413 HA -0.38 0.02 0.39 -0.75 4.56 3.83 3h1vX1 TYR 413 HB2 -0.28 -0.05 0.01 -0.04 3.06 2.69 3h1vX1 TYR 413 HB3 -0.13 0.04 -0.09 -0.04 2.98 2.75 3h1vX1 TYR 413 HD2 -0.10 0.00 -0.31 -0.04 7.15 6.71 3h1vX1 TYR 413 HE2 0.09 0.03 -0.15 -0.04 6.85 6.78 3h1vX1 LYS 414 H 0.07 0.35 -0.19 -0.55 8.42 8.09 3h1vX1 LYS 414 HA 0.08 0.08 0.30 -0.75 4.32 4.03 3h1vX1 LYS 414 HB2 0.05 -0.07 0.07 -0.04 1.87 1.88 3h1vX1 LYS 414 HB3 0.05 0.02 -0.08 -0.04 1.79 1.73 3h1vX1 LYS 414 HG2 0.19 0.05 -0.03 -0.04 1.46 1.64 3h1vX1 LYS 414 HG3 0.17 -0.02 -0.04 -0.04 1.46 1.53 3h1vX1 LYS 414 HD2 0.04 -0.28 0.00 -0.04 1.69 1.41 3h1vX1 LYS 414 HD3 0.04 0.03 -0.04 -0.04 1.68 1.67 3h1vX1 LYS 414 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 3h1vX1 LYS 414 HE3 0.09 0.05 0.00 -0.04 2.99 3.09 3h1vX1 LEU 415 H -0.01 0.53 -0.05 -0.55 8.37 8.29 3h1vX1 LEU 415 HA -0.01 0.27 0.87 -0.75 4.35 4.73 3h1vX1 LEU 415 HB2 -0.01 0.02 0.07 -0.04 1.64 1.68 3h1vX1 LEU 415 HB3 -0.01 -0.03 0.04 -0.04 1.64 1.60 3h1vX1 LEU 415 HG 0.00 -0.12 -0.10 -0.04 1.64 1.38 3h1vX1 LEU 415 HD13 -0.01 -0.02 -0.03 -0.04 0.93 0.83 3h1vX1 LEU 415 HD23 0.01 0.07 -0.22 -0.04 0.89 0.71 3h1vX1 HIS 416 H 0.04 0.39 0.08 -0.55 8.41 8.38 3h1vX1 HIS 416 HA -0.01 0.06 0.53 -0.75 4.63 4.45 3h1vX1 HIS 416 HB2 -0.06 -0.05 0.20 -0.04 3.26 3.31 3h1vX1 HIS 416 HB3 0.01 -0.01 0.19 -0.04 3.20 3.35 3h1vX1 HIS 416 HD2 0.02 -0.05 -0.04 -0.04 6.97 6.85 3h1vX1 HIS 416 HE1 0.03 0.06 -0.09 -0.04 7.75 7.70 3h1vX1 PRO 417 HA -0.00 0.12 0.15 -0.51 4.44 4.20 3h1vX1 PRO 417 HB2 -0.01 0.04 -0.07 -0.04 2.28 2.20 3h1vX1 PRO 417 HB3 -0.04 0.03 0.09 -0.04 2.02 2.06 3h1vX1 PRO 417 HG2 -0.10 -0.06 -0.04 -0.04 2.03 1.78 3h1vX1 PRO 417 HG3 -0.13 0.13 -0.37 -0.04 2.03 1.63 3h1vX1 PRO 417 HD2 -0.89 -0.08 0.23 -0.04 3.68 2.90 3h1vX1 PRO 417 HD3 -0.22 0.21 0.22 -0.04 3.65 3.81 3h1vX1 SER 418 H 0.39 -0.01 -0.30 -0.55 8.46 8.00 3h1vX1 SER 418 HA 0.03 0.41 1.34 -0.75 4.49 5.52 3h1vX1 SER 418 HB2 0.09 -0.00 -0.07 -0.04 3.95 3.93 3h1vX1 SER 418 HB3 0.02 -0.04 -0.02 -0.04 3.93 3.84 3h1vX1 PHE 419 H 0.31 0.12 -0.14 -0.55 8.34 8.07 3h1vX1 PHE 419 HA -0.13 0.06 0.36 -0.75 4.62 4.16 3h1vX1 PHE 419 HB2 -0.33 -0.05 0.06 -0.04 3.15 2.80 3h1vX1 PHE 419 HB3 -0.14 0.17 0.10 -0.04 3.06 3.15 3h1vX1 PHE 419 HD2 -0.26 0.05 -0.22 -0.04 7.28 6.80 3h1vX1 PHE 419 HE2 -0.23 0.01 -0.17 -0.04 7.38 6.94 3h1vX1 PHE 419 HZ -0.10 0.03 -0.19 -0.04 7.32 7.02 3h1vX1 LYS 420 H -0.05 0.31 -0.15 -0.55 8.42 7.98 3h1vX1 LYS 420 HA -0.37 -0.01 0.22 -0.75 4.32 3.40 3h1vX1 LYS 420 HB2 -0.28 0.04 0.01 -0.04 1.87 1.60 3h1vX1 LYS 420 HB3 -0.46 0.02 -0.30 -0.04 1.79 1.01 3h1vX1 LYS 420 HG2 -1.53 -0.10 -0.05 -0.04 1.46 -0.27 3h1vX1 LYS 420 HG3 -1.06 0.41 0.07 -0.04 1.46 0.83 3h1vX1 LYS 420 HD2 -0.08 -0.04 -0.09 -0.04 1.69 1.44 3h1vX1 LYS 420 HD3 -0.14 -0.05 -0.06 -0.04 1.68 1.38 3h1vX1 LYS 420 HE2 -0.19 0.04 -0.03 -0.04 2.99 2.77 3h1vX1 LYS 420 HE3 -0.07 -0.04 -0.03 -0.04 2.99 2.81 3h1vX1 GLU 421 H -0.15 0.17 -0.26 -0.55 8.60 7.82 3h1vX1 GLU 421 HA -0.09 0.06 0.60 -0.75 4.29 4.10 3h1vX1 GLU 421 HB2 -0.05 0.10 0.06 -0.04 2.09 2.16 3h1vX1 GLU 421 HB3 -0.02 -0.00 -0.04 -0.04 1.99 1.89 3h1vX1 GLU 421 HG2 -0.01 0.05 0.04 -0.04 2.34 2.38 3h1vX1 GLU 421 HG3 0.00 -0.00 0.03 -0.04 2.34 2.33 3h1vX1 ARG 422 H -0.11 0.51 -0.10 -0.55 8.46 8.21 3h1vX1 ARG 422 HA -0.02 0.03 0.47 -0.75 4.34 4.07 3h1vX1 ARG 422 HB2 -0.21 0.09 0.16 -0.04 1.90 1.90 3h1vX1 ARG 422 HB3 -0.10 -0.04 -0.03 -0.04 1.80 1.60 3h1vX1 ARG 422 HG2 -0.05 -0.02 0.02 -0.04 1.67 1.57 3h1vX1 ARG 422 HG3 -0.06 0.13 0.03 -0.04 1.67 1.73 3h1vX1 ARG 422 HD2 -0.18 -0.04 -0.16 -0.04 3.22 2.80 3h1vX1 ARG 422 HD3 -0.21 -0.02 0.00 -0.04 3.22 2.96 3h1vX1 PHE 423 H -0.15 0.71 -0.02 -0.55 8.34 8.33 3h1vX1 PHE 423 HA -0.14 0.07 0.43 -0.75 4.62 4.23 3h1vX1 PHE 423 HB2 -0.54 -0.04 0.05 -0.04 3.15 2.59 3h1vX1 PHE 423 HB3 -0.28 0.04 0.13 -0.04 3.06 2.91 3h1vX1 PHE 423 HD2 -0.02 0.17 -0.04 -0.04 7.28 7.35 3h1vX1 PHE 423 HE2 0.24 -0.03 -0.50 -0.04 7.38 7.05 3h1vX1 PHE 423 HZ 0.34 -0.03 -0.19 -0.04 7.32 7.41 3h1vX1 HIS 424 H -0.32 0.81 0.00 -0.55 8.41 8.36 3h1vX1 HIS 424 HA -0.36 -0.03 0.32 -0.75 4.63 3.81 3h1vX1 HIS 424 HB2 -0.08 0.07 0.10 -0.04 3.26 3.31 3h1vX1 HIS 424 HB3 -0.07 -0.02 -0.05 -0.04 3.20 3.02 3h1vX1 HIS 424 HD2 -0.97 -0.07 -0.08 -0.04 6.97 5.80 3h1vX1 HIS 424 HE1 -0.03 -0.02 -0.11 -0.04 7.75 7.54 3h1vX1 ALA 425 H -0.03 0.48 -0.33 -0.55 8.40 7.97 3h1vX1 ALA 425 HA -0.00 0.01 0.42 -0.75 4.34 4.01 3h1vX1 ALA 425 HB3 -0.02 0.01 0.09 -0.04 1.41 1.46 3h1vX1 SER 426 H -0.12 0.49 -0.21 -0.55 8.46 8.07 3h1vX1 SER 426 HA -0.16 0.01 0.49 -0.75 4.49 4.08 3h1vX1 SER 426 HB2 -0.26 -0.01 0.09 -0.04 3.95 3.73 3h1vX1 SER 426 HB3 -0.17 0.12 0.16 -0.04 3.93 4.01 3h1vX1 VAL 427 H -0.31 0.60 -0.03 -0.55 8.24 7.95 3h1vX1 VAL 427 HA -0.14 0.07 0.47 -0.75 4.13 3.77 3h1vX1 VAL 427 HB -0.02 0.06 -0.07 -0.04 2.12 2.04 3h1vX1 VAL 427 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.82 3h1vX1 VAL 427 HG23 -0.70 0.08 -0.00 -0.04 0.95 0.28 3h1vX1 ARG 428 H -0.03 0.54 -0.17 -0.55 8.46 8.24 3h1vX1 ARG 428 HA 0.01 0.08 0.53 -0.75 4.34 4.20 3h1vX1 ARG 428 HB2 0.01 0.08 0.16 -0.04 1.90 2.11 3h1vX1 ARG 428 HB3 0.01 -0.03 0.03 -0.04 1.80 1.77 3h1vX1 ARG 428 HG2 0.07 -0.03 0.05 -0.04 1.67 1.73 3h1vX1 ARG 428 HG3 0.11 0.07 0.07 -0.04 1.67 1.88 3h1vX1 ARG 428 HD2 0.07 -0.02 -0.05 -0.04 3.22 3.18 3h1vX1 ARG 428 HD3 0.05 -0.02 0.02 -0.04 3.22 3.23 3h1vX1 ARG 429 H -0.05 0.49 -0.16 -0.55 8.46 8.18 3h1vX1 ARG 429 HA -0.03 -0.01 0.46 -0.75 4.34 4.01 3h1vX1 ARG 429 HB2 -0.08 0.13 0.19 -0.04 1.90 2.10 3h1vX1 ARG 429 HB3 -0.07 -0.06 -0.07 -0.04 1.80 1.57 3h1vX1 ARG 429 HG2 -0.04 -0.04 0.06 -0.04 1.67 1.61 3h1vX1 ARG 429 HG3 -0.04 0.02 0.05 -0.04 1.67 1.66 3h1vX1 ARG 429 HD2 -0.05 -0.07 0.00 -0.04 3.22 3.06 3h1vX1 ARG 429 HD3 -0.04 -0.04 -0.00 -0.04 3.22 3.10 3h1vX1 LEU 430 H -0.06 0.35 -0.30 -0.55 8.37 7.81 3h1vX1 LEU 430 HA -0.04 0.03 0.58 -0.75 4.35 4.16 3h1vX1 LEU 430 HB2 -0.06 0.07 0.08 -0.04 1.64 1.69 3h1vX1 LEU 430 HB3 -0.05 -0.08 0.11 -0.04 1.64 1.58 3h1vX1 LEU 430 HG -0.09 0.09 -0.02 -0.04 1.64 1.58 3h1vX1 LEU 430 HD13 -0.09 -0.03 -0.17 -0.04 0.93 0.59 3h1vX1 LEU 430 HD23 -0.06 -0.02 -0.08 -0.04 0.89 0.69 3h1vX1 THR 431 H -0.02 0.34 -0.57 -0.55 8.28 7.48 3h1vX1 THR 431 HA -0.02 0.20 0.98 -0.75 4.39 4.80 3h1vX1 THR 431 HB -0.01 -0.07 0.06 -0.04 4.32 4.25 3h1vX1 THR 431 HG23 -0.01 -0.02 -0.13 -0.04 1.22 1.02 3h1vX1 PRO 432 HA -0.01 0.00 0.56 -0.51 4.44 4.48 3h1vX1 PRO 432 HB2 -0.01 0.02 -0.01 -0.04 2.28 2.24 3h1vX1 PRO 432 HB3 -0.01 -0.03 0.04 -0.04 2.02 1.97 3h1vX1 PRO 432 HG2 -0.01 -0.01 0.02 -0.04 2.03 1.98 3h1vX1 PRO 432 HG3 -0.02 0.05 0.05 -0.04 2.03 2.08 3h1vX1 PRO 432 HD2 -0.02 0.13 -0.05 -0.04 3.68 3.70 3h1vX1 PRO 432 HD3 -0.02 0.14 -0.43 -0.04 3.65 3.30 3h1vX1 SER 433 H -0.01 0.09 0.19 -0.55 8.46 8.18 3h1vX1 SER 433 HA -0.01 -0.06 0.34 -0.75 4.49 4.01 3h1vX1 SER 433 HB2 -0.01 0.21 -0.16 -0.04 3.95 3.95 3h1vX1 SER 433 HB3 -0.01 0.24 0.42 -0.04 3.93 4.54 3h1vX1 CYS 434 H -0.01 0.39 -0.30 -0.55 8.50 8.03 3h1vX1 CYS 434 HA -0.02 0.16 0.74 -0.75 4.58 4.71 3h1vX1 CYS 434 HB2 -0.01 0.11 0.02 -0.04 2.97 3.04 3h1vX1 CYS 434 HB3 -0.02 -0.06 -0.06 -0.04 2.97 2.79 3h1vX1 GLU 435 H -0.02 0.70 0.13 -0.55 8.60 8.86 3h1vX1 GLU 435 HA -0.01 0.19 0.97 -0.75 4.29 4.68 3h1vX1 GLU 435 HB2 -0.02 -0.06 0.14 -0.04 2.09 2.11 3h1vX1 GLU 435 HB3 -0.02 -0.00 -0.03 -0.04 1.99 1.90 3h1vX1 GLU 435 HG2 -0.01 0.03 -0.11 -0.04 2.34 2.21 3h1vX1 GLU 435 HG3 -0.01 -0.02 -0.33 -0.04 2.34 1.93 3h1vX1 ILE 436 H -0.02 0.21 0.05 -0.55 8.25 7.93 3h1vX1 ILE 436 HA -0.15 0.33 0.68 -0.75 4.18 4.28 3h1vX1 ILE 436 HB -0.08 -0.03 -0.00 -0.04 1.89 1.74 3h1vX1 ILE 436 HG12 -0.08 0.02 -0.22 -0.04 1.49 1.16 3h1vX1 ILE 436 HG13 -0.04 -0.02 -0.31 -0.04 1.21 0.80 3h1vX1 ILE 436 HG23 -0.67 -0.02 -0.23 -0.04 0.93 -0.03 3h1vX1 ILE 436 HD13 0.03 0.00 -0.17 -0.04 0.88 0.70 3h1vX1 THR 437 H -0.20 0.64 0.39 -0.55 8.28 8.56 3h1vX1 THR 437 HA -0.05 0.12 0.78 -0.75 4.39 4.49 3h1vX1 THR 437 HB -0.08 -0.06 0.07 -0.04 4.32 4.20 3h1vX1 THR 437 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.04 3h1vX1 PHE 438 H 0.15 0.20 0.10 -0.55 8.34 8.24 3h1vX1 PHE 438 HA 0.05 0.25 0.91 -0.75 4.62 5.08 3h1vX1 PHE 438 HB2 -0.01 -0.01 0.04 -0.04 3.15 3.12 3h1vX1 PHE 438 HB3 0.22 -0.01 -0.12 -0.04 3.06 3.10 3h1vX1 PHE 438 HD2 0.00 0.02 -0.14 -0.04 7.28 7.11 3h1vX1 PHE 438 HE2 0.22 0.02 -0.15 -0.04 7.38 7.42 3h1vX1 PHE 438 HZ 0.10 0.02 -0.16 -0.04 7.32 7.25 3h1vX1 ILE 439 H 0.12 0.71 0.33 -0.55 8.25 8.87 3h1vX1 ILE 439 HA 0.11 0.17 0.91 -0.75 4.18 4.62 3h1vX1 ILE 439 HB 0.04 -0.06 -0.03 -0.04 1.89 1.80 3h1vX1 ILE 439 HG12 0.02 -0.08 -0.60 -0.04 1.49 0.79 3h1vX1 ILE 439 HG13 0.01 0.02 -0.20 -0.04 1.21 1.00 3h1vX1 ILE 439 HG23 0.05 0.01 -0.16 -0.04 0.93 0.78 3h1vX1 ILE 439 HD13 0.02 0.03 -0.10 -0.04 0.88 0.80 3h1vX1 GLU 440 H 0.12 0.21 0.11 -0.55 8.60 8.50 3h1vX1 GLU 440 HA 0.09 0.19 0.90 -0.75 4.29 4.71 3h1vX1 GLU 440 HB2 0.11 0.01 0.11 -0.04 2.09 2.28 3h1vX1 GLU 440 HB3 0.12 -0.01 0.08 -0.04 1.99 2.15 3h1vX1 GLU 440 HG2 0.39 -0.01 -0.09 -0.04 2.34 2.59 3h1vX1 GLU 440 HG3 0.25 -0.01 -0.08 -0.04 2.34 2.46 3h1vX1 SER 441 H 0.03 0.29 0.19 -0.55 8.46 8.43 3h1vX1 SER 441 HA 0.04 0.21 0.33 -0.75 4.49 4.32 3h1vX1 SER 441 HB2 0.02 0.01 -0.11 -0.04 3.95 3.83 3h1vX1 SER 441 HB3 0.02 0.12 -0.06 -0.04 3.93 3.97 3h1vX1 GLU 442 H 0.04 0.32 0.03 -0.55 8.60 8.44 3h1vX1 GLU 442 HA 0.02 0.08 0.70 -0.75 4.29 4.34 3h1vX1 GLU 442 HB2 0.03 0.09 0.03 -0.04 2.09 2.20 3h1vX1 GLU 442 HB3 0.04 0.05 0.14 -0.04 1.99 2.19 3h1vX1 GLU 442 HG2 0.03 0.06 0.00 -0.04 2.34 2.39 3h1vX1 GLU 442 HG3 0.01 -0.05 -0.06 -0.04 2.34 2.20 3h1vX1 GLU 443 H -0.01 0.19 0.04 -0.55 8.60 8.28 3h1vX1 GLU 443 HA -0.02 -0.03 0.27 -0.75 4.29 3.75 3h1vX1 GLU 443 HB2 -0.03 0.08 -0.09 -0.04 2.09 2.00 3h1vX1 GLU 443 HB3 0.00 0.16 -0.07 -0.04 1.99 2.05 3h1vX1 GLU 443 HG2 -0.04 0.10 -0.02 -0.04 2.34 2.34 3h1vX1 GLU 443 HG3 -0.01 -0.21 0.04 -0.04 2.34 2.11 3h1vX1 GLY 444 H -0.00 0.08 -0.36 -0.55 8.43 7.60 3h1vX1 GLY 444 HA2 0.01 0.24 0.15 -0.51 4.01 3.89 3h1vX1 GLY 444 HA3 -0.00 0.02 0.03 -0.51 4.01 3.55 3h1vX1 SER 445 H -0.01 0.06 -0.17 -0.55 8.46 7.79 3h1vX1 SER 445 HA -0.01 0.04 0.34 -0.75 4.49 4.10 3h1vX1 SER 445 HB2 -0.01 -0.06 -0.00 -0.04 3.95 3.84 3h1vX1 SER 445 HB3 -0.01 0.04 -0.10 -0.04 3.93 3.83 3h1vX1 GLY 446 H -0.01 0.08 -0.47 -0.55 8.43 7.49 3h1vX1 GLY 446 HA2 0.01 0.12 -0.04 -0.51 4.01 3.59 3h1vX1 GLY 446 HA3 -0.01 0.06 0.07 -0.51 4.01 3.62 3h1vX1 ARG 447 H 0.00 0.44 -0.02 -0.55 8.46 8.34 3h1vX1 ARG 447 HA -0.00 0.06 0.50 -0.75 4.34 4.14 3h1vX1 ARG 447 HB2 0.02 0.15 0.05 -0.04 1.90 2.08 3h1vX1 ARG 447 HB3 0.02 0.03 -0.06 -0.04 1.80 1.76 3h1vX1 ARG 447 HG2 0.05 -0.09 -0.23 -0.04 1.67 1.35 3h1vX1 ARG 447 HG3 0.02 -0.13 -0.03 -0.04 1.67 1.50 3h1vX1 ARG 447 HD2 0.05 -0.13 -0.09 -0.04 3.22 3.01 3h1vX1 ARG 447 HD3 0.03 0.25 -0.02 -0.04 3.22 3.44 3h1vX1 GLY 448 H -0.00 0.41 -0.42 -0.55 8.43 7.87 3h1vX1 GLY 448 HA2 -0.02 0.05 0.26 -0.51 4.01 3.79 3h1vX1 GLY 448 HA3 -0.01 0.10 0.25 -0.51 4.01 3.84 3h1vX1 ALA 449 H 0.00 0.56 -0.10 -0.55 8.40 8.31 3h1vX1 ALA 449 HA 0.00 -0.01 0.40 -0.75 4.34 3.98 3h1vX1 ALA 449 HB3 0.06 -0.02 -0.05 -0.04 1.41 1.35 3h1vX1 ALA 450 H -0.03 0.41 -0.45 -0.55 8.40 7.78 3h1vX1 ALA 450 HA -0.13 0.02 0.21 -0.75 4.34 3.69 3h1vX1 ALA 450 HB3 -0.08 0.04 -0.04 -0.04 1.41 1.28 3h1vX1 LEU 451 H -0.12 0.43 -0.23 -0.55 8.37 7.90 3h1vX1 LEU 451 HA -0.27 0.09 0.26 -0.75 4.35 3.67 3h1vX1 LEU 451 HB2 -0.08 0.03 0.01 -0.04 1.64 1.56 3h1vX1 LEU 451 HB3 -0.10 -0.01 -0.12 -0.04 1.64 1.38 3h1vX1 LEU 451 HG -0.12 -0.03 -0.10 -0.04 1.64 1.34 3h1vX1 LEU 451 HD13 -0.01 0.00 -0.26 -0.04 0.93 0.62 3h1vX1 LEU 451 HD23 -0.13 0.02 -0.15 -0.04 0.89 0.59 3h1vX1 VAL 452 H -0.10 0.38 -0.24 -0.55 8.24 7.73 3h1vX1 VAL 452 HA -0.09 0.08 0.50 -0.75 4.13 3.87 3h1vX1 VAL 452 HB -0.04 0.03 0.05 -0.04 2.12 2.11 3h1vX1 VAL 452 HG13 -0.04 -0.00 -0.10 -0.04 0.97 0.80 3h1vX1 VAL 452 HG23 -0.06 0.05 -0.05 -0.04 0.95 0.85 3h1vX1 SER 453 H -0.09 0.53 -0.16 -0.55 8.46 8.20 3h1vX1 SER 453 HA 0.01 -0.04 0.26 -0.75 4.49 3.97 3h1vX1 SER 453 HB2 -0.19 0.16 0.08 -0.04 3.95 3.96 3h1vX1 SER 453 HB3 0.17 -0.03 -0.19 -0.04 3.93 3.84 3h1vX1 ALA 454 H -0.51 0.58 -0.25 -0.55 8.40 7.67 3h1vX1 ALA 454 HA -0.05 0.01 0.29 -0.75 4.34 3.83 3h1vX1 ALA 454 HB3 -0.58 0.06 -0.04 -0.04 1.41 0.82 3h1vX1 VAL 455 H -0.13 0.36 -0.32 -0.55 8.24 7.60 3h1vX1 VAL 455 HA -0.05 0.26 0.79 -0.75 4.13 4.38 3h1vX1 VAL 455 HB -0.07 0.03 0.17 -0.04 2.12 2.20 3h1vX1 VAL 455 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.80 3h1vX1 VAL 455 HG23 -0.08 0.04 -0.03 -0.04 0.95 0.84 3h1vX1 ALA 456 H -0.04 0.76 0.07 -0.55 8.40 8.65 3h1vX1 ALA 456 HA -0.01 -0.01 0.52 -0.75 4.34 4.09 3h1vX1 ALA 456 HB3 0.01 -0.01 0.04 -0.04 1.41 1.41 3h1vX1 CYS 457 H 0.03 0.29 -0.75 -0.55 8.50 7.52 3h1vX1 CYS 457 HA 0.04 -0.07 0.63 -0.75 4.58 4.44 3h1vX1 CYS 457 HB2 0.13 0.13 0.10 -0.04 2.97 3.29 3h1vX1 CYS 457 HB3 0.09 -0.05 0.19 -0.04 2.97 3.16 3h1vX1 LYS 458 H 0.01 0.04 -0.43 -0.55 8.42 7.48 3h1vX1 LYS 458 HA 0.01 0.16 0.69 -0.75 4.32 4.41 3h1vX1 LYS 458 HB2 -0.01 0.28 0.09 -0.04 1.87 2.19 3h1vX1 LYS 458 HB3 -0.01 -0.07 0.02 -0.04 1.79 1.69 3h1vX1 LYS 458 HG2 -0.01 0.15 0.10 -0.04 1.46 1.66 3h1vX1 LYS 458 HG3 -0.00 -0.11 0.07 -0.04 1.46 1.38 3h1vX1 LYS 458 HD2 0.00 0.20 -0.10 -0.04 1.69 1.75 3h1vX1 LYS 458 HD3 -0.01 0.09 -0.58 -0.04 1.68 1.13 3h1vX1 LYS 458 HE2 0.00 -0.00 -0.03 -0.04 2.99 2.92 3h1vX1 LYS 458 HE3 0.00 -0.04 -0.25 -0.04 2.99 2.66 3h1vX1 LYS 459 H 0.00 0.05 0.06 -0.55 8.42 7.98 3h1vX1 LYS 459 HA -0.00 0.08 0.60 -0.75 4.32 4.24 3h1vX1 LYS 459 HB2 -0.00 -0.02 0.08 -0.04 1.87 1.89 3h1vX1 LYS 459 HB3 -0.00 -0.02 0.14 -0.04 1.79 1.87 3h1vX1 LYS 459 HG2 0.00 0.26 0.26 -0.04 1.46 1.94 3h1vX1 LYS 459 HG3 -0.00 -0.05 0.15 -0.04 1.46 1.52 3h1vX1 LYS 459 HD2 -0.00 -0.04 0.10 -0.04 1.69 1.71 3h1vX1 LYS 459 HD3 -0.00 -0.01 0.08 -0.04 1.68 1.71 3h1vX1 LYS 459 HE2 -0.00 -0.35 0.15 -0.04 2.99 2.75 3h1vX1 LYS 459 HE3 -0.01 0.02 0.13 -0.04 2.99 3.09 3h1vX1 ALA 460 H 0.01 0.12 -0.05 -0.55 8.40 7.93 3h1vX1 ALA 460 HA 0.00 0.17 0.27 -0.75 4.34 4.03 3h1vX1 ALA 460 HB3 0.01 0.01 0.02 -0.04 1.41 1.41