============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 3 1.000 62.791 6.470 -5.288 -99.200 -91.000 TYR 5 0.840 66.840 2.355 3.808 -99.200 -91.000 HIS 6 0.900 70.596 7.209 -1.382 -99.200 -91.000 PHE 14 1.000 70.972 13.922 -3.680 -99.200 -91.000 TYR 22 0.840 70.678 20.590 -10.224 -99.200 -91.000 HIS 27 0.900 75.418 27.660 1.718 -99.200 -91.000 HIS 29 0.900 74.275 25.616 6.446 -99.200 -91.000 TRP 41 1.040 76.807 16.453 5.727 -99.200 -91.000 TRP6 41 1.020 78.702 17.715 5.114 -99.200 -91.000 PHE 48 1.000 66.683 36.247 -4.316 -99.200 -91.000 HIS 52 0.900 65.632 36.643 5.772 -99.200 -91.000 PHE 59 1.000 58.989 24.001 5.114 -99.200 -91.000 TYR 61 0.840 59.590 19.383 4.818 -99.200 -91.000 HIS 66 0.900 62.921 9.447 17.725 -99.200 -91.000 HIS 78 0.900 64.646 9.393 -3.625 -99.200 -91.000 TYR 82 0.840 58.940 17.107 -7.022 -99.200 -91.000 HIS 103 0.900 67.459 27.293 5.666 -99.200 -91.000 PHE 113 1.000 71.122 5.100 8.017 -99.200 -91.000 TYR 122 0.840 56.791 -3.915 15.168 -99.200 -91.000 TYR 123 0.840 60.914 -2.889 20.349 -99.200 -91.000 TYR 130 0.840 78.963 6.389 21.038 -99.200 -91.000 TYR 133 0.840 71.722 11.901 27.533 -99.200 -91.000 PHE 139 1.000 65.842 20.005 20.661 -99.200 -91.000 PHE 143 1.000 54.089 22.804 28.013 -99.200 -91.000 TYR 145 0.840 63.439 24.135 36.161 -99.200 -91.000 TRP 160 1.040 70.044 25.345 11.104 -99.200 -91.000 TRP6 160 1.020 68.429 23.619 10.880 -99.200 -91.000 PHE 166 1.000 65.614 28.084 10.259 -99.200 -91.000 HIS 173 0.900 60.261 11.780 15.127 -99.200 -91.000 TYR 181 0.840 46.955 19.618 16.428 -99.200 -91.000 PHE 183 1.000 52.007 24.636 23.445 -99.200 -91.000 TYR 194 0.840 38.542 18.929 29.977 -99.200 -91.000 PHE 205 1.000 51.434 24.767 15.818 -99.200 -91.000 TYR 207 0.840 45.438 25.311 6.331 -99.200 -91.000 HIS 210 0.900 42.703 17.657 9.663 -99.200 -91.000 TYR 212 0.840 53.117 15.284 5.167 -99.200 -91.000 PHE 231 1.000 47.383 8.621 16.130 -99.200 -91.000 TYR 239 0.840 49.224 16.269 27.922 -99.200 -91.000 TRP 241 1.040 50.420 9.165 19.787 -99.200 -91.000 TRP6 241 1.020 52.244 9.516 18.338 -99.200 -91.000 TYR 242 0.840 54.371 8.965 25.889 -99.200 -91.000 TYR 251 0.840 64.624 25.056 21.592 -99.200 -91.000 TYR 253 0.840 53.583 27.757 19.098 -99.200 -91.000 TRP 255 1.040 62.341 28.892 25.265 -99.200 -91.000 TRP6 255 1.020 61.640 26.737 25.924 -99.200 -91.000 PHE 259 1.000 52.832 28.746 14.078 -99.200 -91.000 TYR 270 0.840 66.871 0.992 8.628 -99.200 -91.000 PHE 279 1.000 57.513 3.771 3.309 -99.200 -91.000 TRP 280 1.040 59.077 10.609 -4.691 -99.200 -91.000 TRP6 280 1.020 59.580 12.628 -3.601 -99.200 -91.000 TYR 290 0.840 54.101 21.203 6.991 -99.200 -91.000 HIS 295 0.900 55.079 31.580 0.642 -99.200 -91.000 PHE 303 1.000 60.226 50.117 7.528 -99.200 -91.000 HIS 322 0.900 52.659 33.521 19.866 -99.200 -91.000 TYR 326 0.840 55.916 33.486 18.151 -99.200 -91.000 TYR 331 0.840 68.275 41.239 8.250 -99.200 -91.000 TYR 334 0.840 54.533 41.955 10.695 -99.200 -91.000 TYR 335 0.840 58.773 36.404 7.410 -99.200 -91.000 TYR 343 0.840 43.732 36.791 11.821 -99.200 -91.000 HIS 352 0.900 57.579 53.949 22.564 -99.200 -91.000 HIS 355 0.900 50.538 51.941 15.700 -99.200 -91.000 PHE 368 1.000 52.998 28.873 -5.134 -99.200 -91.000 PHE 379 1.000 56.064 54.811 18.851 -99.200 -91.000 TYR 390 0.840 52.343 27.757 27.906 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uwyA1 LEU 1 HA -0.13 -0.10 0.16 -0.75 4.35 3.53 1uwyA1 LEU 1 HB2 -0.75 -0.01 -0.02 -0.04 1.64 0.82 1uwyA1 LEU 1 HB3 -1.02 0.08 -0.15 -0.04 1.64 0.50 1uwyA1 LEU 1 HG -0.72 -0.00 0.01 -0.04 1.64 0.89 1uwyA1 LEU 1 HD13 -1.51 0.02 -0.06 -0.04 0.93 -0.65 1uwyA1 LEU 1 HD23 -0.01 0.08 0.10 -0.04 0.89 1.02 1uwyA1 ASP 2 H -0.06 0.03 0.08 -0.55 8.40 7.90 1uwyA1 ASP 2 HA -0.01 0.14 0.56 -0.75 4.63 4.56 1uwyA1 ASP 2 HB2 0.03 -0.04 0.06 -0.04 2.71 2.72 1uwyA1 ASP 2 HB3 0.01 0.03 0.07 -0.04 2.70 2.77 1uwyA1 PHE 3 H 0.18 0.11 0.06 -0.55 8.34 8.14 1uwyA1 PHE 3 HA 0.22 0.30 0.85 -0.75 4.62 5.23 1uwyA1 PHE 3 HB2 -0.01 -0.02 0.15 -0.04 3.15 3.23 1uwyA1 PHE 3 HB3 -0.03 -0.04 0.23 -0.04 3.06 3.19 1uwyA1 PHE 3 HD2 -0.12 -0.04 -0.07 -0.04 7.28 7.01 1uwyA1 PHE 3 HE2 -0.41 0.01 -0.08 -0.04 7.38 6.86 1uwyA1 PHE 3 HZ -0.69 0.02 -0.04 -0.04 7.32 6.57 1uwyA1 ASN 4 H 0.02 0.26 -0.29 -0.55 8.53 7.97 1uwyA1 ASN 4 HA -0.08 0.12 0.83 -0.75 4.76 4.88 1uwyA1 ASN 4 HB2 -0.14 0.06 -0.03 -0.04 2.88 2.73 1uwyA1 ASN 4 HB3 -0.05 -0.09 0.16 -0.04 2.79 2.76 1uwyA1 ASN 4 HD21 0.02 0.02 -0.10 -0.04 7.03 6.93 1uwyA1 ASN 4 HD22 -0.03 0.01 -0.11 -0.04 7.74 7.57 1uwyA1 TYR 5 H 0.00 0.05 0.13 -0.55 8.29 7.92 1uwyA1 TYR 5 HA 0.12 0.14 0.49 -0.75 4.56 4.56 1uwyA1 TYR 5 HB2 0.15 -0.02 0.11 -0.04 3.06 3.26 1uwyA1 TYR 5 HB3 0.27 -0.02 -0.02 -0.04 2.98 3.17 1uwyA1 TYR 5 HD2 0.17 -0.02 0.01 -0.04 7.15 7.27 1uwyA1 TYR 5 HE2 0.20 0.05 -0.10 -0.04 6.85 6.96 1uwyA1 HIS 6 H 0.30 0.18 0.00 -0.55 8.41 8.35 1uwyA1 HIS 6 HA 0.07 0.13 0.86 -0.75 4.63 4.94 1uwyA1 HIS 6 HB2 -0.08 0.00 0.11 -0.04 3.26 3.26 1uwyA1 HIS 6 HB3 -0.06 -0.05 -0.03 -0.04 3.20 3.03 1uwyA1 HIS 6 HD2 -0.08 -0.05 -0.18 -0.04 6.97 6.63 1uwyA1 HIS 6 HE1 -0.20 0.32 -0.01 -0.04 7.75 7.83 1uwyA1 ARG 7 H 0.19 0.14 -0.08 -0.55 8.46 8.16 1uwyA1 ARG 7 HA 0.49 0.14 0.34 -0.75 4.34 4.55 1uwyA1 ARG 7 HB2 0.17 -0.10 0.03 -0.04 1.90 1.96 1uwyA1 ARG 7 HB3 0.31 0.07 0.14 -0.04 1.80 2.28 1uwyA1 ARG 7 HG2 0.29 -0.03 -0.02 -0.04 1.67 1.87 1uwyA1 ARG 7 HG3 0.14 -0.00 0.02 -0.04 1.67 1.79 1uwyA1 ARG 7 HD2 0.09 0.04 0.01 -0.04 3.22 3.32 1uwyA1 ARG 7 HD3 0.09 -0.01 0.03 -0.04 3.22 3.29 1uwyA1 GLN 8 H 0.21 0.16 0.13 -0.55 8.47 8.42 1uwyA1 GLN 8 HA 0.10 0.11 0.32 -0.75 4.36 4.14 1uwyA1 GLN 8 HB2 0.15 0.02 0.14 -0.04 2.15 2.42 1uwyA1 GLN 8 HB3 0.12 -0.03 0.14 -0.04 2.02 2.20 1uwyA1 GLN 8 HG2 0.13 0.04 -0.35 -0.04 2.40 2.18 1uwyA1 GLN 8 HG3 0.20 0.00 0.05 -0.04 2.39 2.60 1uwyA1 GLN 8 HE21 0.09 0.06 -0.02 -0.04 6.97 7.06 1uwyA1 GLN 8 HE22 0.10 0.00 -0.09 -0.04 7.69 7.67 1uwyA1 GLU 9 H 0.09 0.08 -0.11 -0.55 8.60 8.11 1uwyA1 GLU 9 HA 0.04 0.10 0.39 -0.75 4.29 4.07 1uwyA1 GLU 9 HB2 0.06 -0.13 0.11 -0.04 2.09 2.09 1uwyA1 GLU 9 HB3 0.04 0.09 0.03 -0.04 1.99 2.10 1uwyA1 GLU 9 HG2 0.06 -0.09 0.08 -0.04 2.34 2.35 1uwyA1 GLU 9 HG3 0.05 0.06 0.04 -0.04 2.34 2.44 1uwyA1 GLY 10 H 0.06 0.07 -0.13 -0.55 8.43 7.88 1uwyA1 GLY 10 HA2 0.05 0.04 0.27 -0.51 4.01 3.87 1uwyA1 GLY 10 HA3 0.10 0.05 0.23 -0.51 4.01 3.88 1uwyA1 MET 11 H 0.07 0.51 -0.37 -0.55 8.47 8.13 1uwyA1 MET 11 HA -0.05 0.04 0.47 -0.75 4.52 4.23 1uwyA1 MET 11 HB2 0.01 0.25 0.07 -0.04 2.15 2.44 1uwyA1 MET 11 HB3 -0.00 -0.04 0.04 -0.04 2.03 1.98 1uwyA1 MET 11 HG2 -0.07 -0.04 -0.03 -0.04 2.63 2.45 1uwyA1 MET 11 HG3 -0.11 0.01 -0.02 -0.04 2.56 2.40 1uwyA1 MET 11 HE3 -0.02 0.02 -0.07 -0.04 2.10 1.99 1uwyA1 GLU 12 H -0.05 0.53 -0.00 -0.55 8.60 8.54 1uwyA1 GLU 12 HA -0.56 -0.04 0.37 -0.75 4.29 3.31 1uwyA1 GLU 12 HB2 -0.07 0.51 0.33 -0.04 2.09 2.83 1uwyA1 GLU 12 HB3 -0.18 -0.02 0.12 -0.04 1.99 1.88 1uwyA1 GLU 12 HG2 -0.75 -0.01 0.01 -0.04 2.34 1.55 1uwyA1 GLU 12 HG3 -0.89 -0.05 0.09 -0.04 2.34 1.45 1uwyA1 ALA 13 H -0.08 0.75 -0.06 -0.55 8.40 8.46 1uwyA1 ALA 13 HA -0.11 -0.03 0.30 -0.75 4.34 3.74 1uwyA1 ALA 13 HB3 -0.00 0.04 0.05 -0.04 1.41 1.45 1uwyA1 PHE 14 H 0.09 0.63 -0.04 -0.55 8.34 8.46 1uwyA1 PHE 14 HA -0.10 -0.05 0.33 -0.75 4.62 4.03 1uwyA1 PHE 14 HB2 -0.17 -0.02 0.17 -0.04 3.15 3.08 1uwyA1 PHE 14 HB3 -0.20 0.19 0.23 -0.04 3.06 3.25 1uwyA1 PHE 14 HD2 -0.18 -0.03 -0.02 -0.04 7.28 7.01 1uwyA1 PHE 14 HE2 -0.19 0.04 -0.03 -0.04 7.38 7.17 1uwyA1 PHE 14 HZ -0.22 -0.00 -0.05 -0.04 7.32 7.01 1uwyA1 LEU 15 H -0.02 0.61 -0.14 -0.55 8.37 8.27 1uwyA1 LEU 15 HA -0.32 -0.01 0.39 -0.75 4.35 3.65 1uwyA1 LEU 15 HB2 -0.37 0.19 0.26 -0.04 1.64 1.68 1uwyA1 LEU 15 HB3 -0.21 -0.06 0.03 -0.04 1.64 1.35 1uwyA1 LEU 15 HG 0.10 0.06 0.06 -0.04 1.64 1.82 1uwyA1 LEU 15 HD13 -0.20 -0.05 -0.17 -0.04 0.93 0.46 1uwyA1 LEU 15 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.81 1uwyA1 LYS 16 H -0.33 0.57 0.13 -0.55 8.42 8.23 1uwyA1 LYS 16 HA -0.17 -0.04 0.36 -0.75 4.32 3.72 1uwyA1 LYS 16 HB2 -0.19 0.17 0.15 -0.04 1.87 1.96 1uwyA1 LYS 16 HB3 -0.14 -0.07 0.01 -0.04 1.79 1.55 1uwyA1 LYS 16 HG2 -0.29 -0.04 0.04 -0.04 1.46 1.13 1uwyA1 LYS 16 HG3 -0.51 0.10 0.06 -0.04 1.46 1.07 1uwyA1 LYS 16 HD2 -0.21 -0.03 -0.13 -0.04 1.69 1.28 1uwyA1 LYS 16 HD3 -0.13 -0.02 -0.03 -0.04 1.68 1.46 1uwyA1 LYS 16 HE2 -0.40 -0.05 -0.06 -0.04 2.99 2.44 1uwyA1 LYS 16 HE3 -0.09 -0.04 -0.04 -0.04 2.99 2.79 1uwyA1 THR 17 H -0.20 0.65 -0.35 -0.55 8.28 7.83 1uwyA1 THR 17 HA -0.10 -0.05 0.50 -0.75 4.39 3.98 1uwyA1 THR 17 HB -0.20 0.19 0.11 -0.04 4.32 4.38 1uwyA1 THR 17 HG23 -0.07 -0.03 -0.04 -0.04 1.22 1.05 1uwyA1 VAL 18 H -0.43 0.86 0.22 -0.55 8.24 8.34 1uwyA1 VAL 18 HA -0.09 -0.05 0.30 -0.75 4.13 3.54 1uwyA1 VAL 18 HB -0.35 0.06 0.07 -0.04 2.12 1.86 1uwyA1 VAL 18 HG13 -0.20 -0.01 -0.10 -0.04 0.97 0.61 1uwyA1 VAL 18 HG23 -1.16 0.06 -0.03 -0.04 0.95 -0.22 1uwyA1 ALA 19 H -0.14 0.48 -0.59 -0.55 8.40 7.61 1uwyA1 ALA 19 HA 0.00 -0.03 0.23 -0.75 4.34 3.79 1uwyA1 ALA 19 HB3 -0.04 0.14 0.11 -0.04 1.41 1.58 1uwyA1 GLN 20 H -0.06 0.41 0.01 -0.55 8.47 8.29 1uwyA1 GLN 20 HA -0.03 0.03 0.57 -0.75 4.36 4.18 1uwyA1 GLN 20 HB2 -0.06 -0.02 0.29 -0.04 2.15 2.32 1uwyA1 GLN 20 HB3 -0.05 -0.06 0.07 -0.04 2.02 1.95 1uwyA1 GLN 20 HG2 -0.05 0.32 0.18 -0.04 2.40 2.81 1uwyA1 GLN 20 HG3 -0.04 -0.09 0.05 -0.04 2.39 2.27 1uwyA1 GLN 20 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.89 1uwyA1 GLN 20 HE22 -0.03 0.01 0.01 -0.04 7.69 7.64 1uwyA1 ASN 21 H -0.06 0.38 0.13 -0.55 8.53 8.43 1uwyA1 ASN 21 HA -0.19 -0.02 0.35 -0.75 4.76 4.14 1uwyA1 ASN 21 HB2 -0.02 0.10 0.04 -0.04 2.88 2.96 1uwyA1 ASN 21 HB3 -0.42 0.02 -0.01 -0.04 2.79 2.33 1uwyA1 ASN 21 HD21 -0.08 -0.06 0.02 -0.04 7.03 6.87 1uwyA1 ASN 21 HD22 -0.17 0.04 0.02 -0.04 7.74 7.59 1uwyA1 TYR 22 H 0.04 0.28 -0.78 -0.55 8.29 7.28 1uwyA1 TYR 22 HA -0.03 0.14 0.84 -0.75 4.56 4.75 1uwyA1 TYR 22 HB2 -0.06 0.20 0.01 -0.04 3.06 3.17 1uwyA1 TYR 22 HB3 -0.03 -0.07 0.16 -0.04 2.98 2.99 1uwyA1 TYR 22 HD2 -0.07 0.02 -0.08 -0.04 7.15 6.98 1uwyA1 TYR 22 HE2 -0.05 -0.00 -0.10 -0.04 6.85 6.66 1uwyA1 SER 23 H -0.00 0.46 0.08 -0.55 8.46 8.45 1uwyA1 SER 23 HA 0.04 0.10 0.46 -0.75 4.49 4.33 1uwyA1 SER 23 HB2 -0.00 -0.06 0.12 -0.04 3.95 3.97 1uwyA1 SER 23 HB3 0.00 0.11 0.29 -0.04 3.93 4.29 1uwyA1 SER 24 H 0.01 0.01 -0.56 -0.55 8.46 7.38 1uwyA1 SER 24 HA 0.02 0.01 0.45 -0.75 4.49 4.21 1uwyA1 SER 24 HB2 0.00 -0.08 0.10 -0.04 3.95 3.93 1uwyA1 SER 24 HB3 0.01 -0.03 0.05 -0.04 3.93 3.93 1uwyA1 VAL 25 H 0.06 0.60 -0.07 -0.55 8.24 8.28 1uwyA1 VAL 25 HA 0.02 0.33 0.81 -0.75 4.13 4.53 1uwyA1 VAL 25 HB 0.00 -0.06 0.20 -0.04 2.12 2.22 1uwyA1 VAL 25 HG13 -0.01 -0.00 -0.11 -0.04 0.97 0.81 1uwyA1 VAL 25 HG23 0.07 -0.05 -0.02 -0.04 0.95 0.90 1uwyA1 THR 26 H 0.06 0.35 0.08 -0.55 8.28 8.21 1uwyA1 THR 26 HA 0.06 0.37 0.98 -0.75 4.39 5.04 1uwyA1 THR 26 HB 0.03 -0.10 0.02 -0.04 4.32 4.24 1uwyA1 THR 26 HG23 0.02 0.03 -0.24 -0.04 1.22 0.99 1uwyA1 HIS 27 H 0.11 0.38 0.25 -0.55 8.41 8.61 1uwyA1 HIS 27 HA 0.04 0.10 0.57 -0.75 4.63 4.58 1uwyA1 HIS 27 HB2 0.02 0.21 -0.15 -0.04 3.26 3.30 1uwyA1 HIS 27 HB3 0.01 -0.14 -0.01 -0.04 3.20 3.02 1uwyA1 HIS 27 HD2 0.06 -0.13 0.14 -0.04 6.97 6.99 1uwyA1 HIS 27 HE1 -0.11 -0.01 -0.05 -0.04 7.75 7.54 1uwyA1 LEU 28 H 0.30 0.23 0.19 -0.55 8.37 8.53 1uwyA1 LEU 28 HA 0.09 0.40 1.21 -0.75 4.35 5.29 1uwyA1 LEU 28 HB2 0.04 0.01 0.02 -0.04 1.64 1.68 1uwyA1 LEU 28 HB3 0.08 -0.02 0.11 -0.04 1.64 1.77 1uwyA1 LEU 28 HG 0.29 -0.03 -0.39 -0.04 1.64 1.47 1uwyA1 LEU 28 HD13 0.39 0.01 0.07 -0.04 0.93 1.36 1uwyA1 LEU 28 HD23 -0.27 -0.03 -0.08 -0.04 0.89 0.47 1uwyA1 HIS 29 H 0.17 0.44 0.36 -0.55 8.41 8.83 1uwyA1 HIS 29 HA 0.11 0.14 0.60 -0.75 4.63 4.73 1uwyA1 HIS 29 HB2 -0.00 -0.07 0.16 -0.04 3.26 3.31 1uwyA1 HIS 29 HB3 -0.18 0.11 -0.15 -0.04 3.20 2.94 1uwyA1 HIS 29 HD2 0.02 0.03 -0.13 -0.04 6.97 6.84 1uwyA1 HIS 29 HE1 0.22 0.01 -0.17 -0.04 7.75 7.76 1uwyA1 SER 30 H -0.03 0.26 0.12 -0.55 8.46 8.27 1uwyA1 SER 30 HA -0.47 0.34 0.82 -0.75 4.49 4.42 1uwyA1 SER 30 HB2 -0.86 0.02 -0.22 -0.04 3.95 2.84 1uwyA1 SER 30 HB3 -0.38 0.03 0.08 -0.04 3.93 3.62 1uwyA1 ILE 31 H -0.52 0.41 0.16 -0.55 8.25 7.75 1uwyA1 ILE 31 HA -0.13 0.16 0.55 -0.75 4.18 4.01 1uwyA1 ILE 31 HB -0.55 0.03 0.05 -0.04 1.89 1.37 1uwyA1 ILE 31 HG12 0.28 -0.00 0.00 -0.04 1.49 1.74 1uwyA1 ILE 31 HG13 0.00 -0.13 0.05 -0.04 1.21 1.09 1uwyA1 ILE 31 HG23 -0.51 0.02 -0.07 -0.04 0.93 0.33 1uwyA1 ILE 31 HD13 0.16 0.01 0.13 -0.04 0.88 1.14 1uwyA1 GLY 32 H -0.28 0.11 -0.32 -0.55 8.43 7.38 1uwyA1 GLY 32 HA2 -0.12 0.10 0.25 -0.51 4.01 3.73 1uwyA1 GLY 32 HA3 -0.12 0.11 0.59 -0.51 4.01 4.08 1uwyA1 LYS 33 H -0.11 0.26 0.18 -0.55 8.42 8.20 1uwyA1 LYS 33 HA -0.18 0.28 0.91 -0.75 4.32 4.58 1uwyA1 LYS 33 HB2 -0.09 -0.00 0.06 -0.04 1.87 1.80 1uwyA1 LYS 33 HB3 -0.10 -0.15 -0.02 -0.04 1.79 1.49 1uwyA1 LYS 33 HG2 -0.21 0.06 -0.18 -0.04 1.46 1.09 1uwyA1 LYS 33 HG3 -0.16 -0.08 -0.50 -0.04 1.46 0.67 1uwyA1 LYS 33 HD2 -0.08 -0.02 -0.06 -0.04 1.69 1.49 1uwyA1 LYS 33 HD3 -0.09 0.04 -0.07 -0.04 1.68 1.52 1uwyA1 LYS 33 HE2 -0.15 -0.01 -0.09 -0.04 2.99 2.70 1uwyA1 LYS 33 HE3 -0.12 -0.00 -0.09 -0.04 2.99 2.74 1uwyA1 SER 34 H -0.09 0.47 0.19 -0.55 8.46 8.49 1uwyA1 SER 34 HA -0.04 0.10 0.43 -0.75 4.49 4.23 1uwyA1 SER 34 HB2 0.00 -0.06 0.27 -0.04 3.95 4.12 1uwyA1 SER 34 HB3 -0.03 0.17 0.16 -0.04 3.93 4.20 1uwyA1 VAL 35 H 0.01 0.07 0.23 -0.55 8.24 8.00 1uwyA1 VAL 35 HA -0.03 0.26 0.65 -0.75 4.13 4.26 1uwyA1 VAL 35 HB 0.02 0.13 0.23 -0.04 2.12 2.46 1uwyA1 VAL 35 HG13 0.04 -0.00 0.14 -0.04 0.97 1.11 1uwyA1 VAL 35 HG23 0.10 -0.03 0.01 -0.04 0.95 0.99 1uwyA1 LYS 36 H -0.05 -0.21 -0.58 -0.55 8.42 7.03 1uwyA1 LYS 36 HA -0.15 0.35 0.88 -0.75 4.32 4.64 1uwyA1 LYS 36 HB2 -0.15 -0.03 -0.05 -0.04 1.87 1.61 1uwyA1 LYS 36 HB3 -0.05 -0.14 0.02 -0.04 1.79 1.58 1uwyA1 LYS 36 HG2 -0.06 -0.01 0.04 -0.04 1.46 1.39 1uwyA1 LYS 36 HG3 -0.08 0.06 0.21 -0.04 1.46 1.61 1uwyA1 LYS 36 HD2 -0.27 0.10 0.11 -0.04 1.69 1.59 1uwyA1 LYS 36 HD3 -0.36 -0.02 0.02 -0.04 1.68 1.28 1uwyA1 LYS 36 HE2 -0.08 -0.01 0.02 -0.04 2.99 2.88 1uwyA1 LYS 36 HE3 -0.09 0.02 0.04 -0.04 2.99 2.92 1uwyA1 GLY 37 H -0.06 0.30 -0.24 -0.55 8.43 7.88 1uwyA1 GLY 37 HA2 -0.06 0.09 0.26 -0.51 4.01 3.79 1uwyA1 GLY 37 HA3 -0.04 0.18 0.48 -0.51 4.01 4.12 1uwyA1 ARG 38 H -0.04 -0.21 -0.27 -0.55 8.46 7.38 1uwyA1 ARG 38 HA 0.01 0.18 0.53 -0.75 4.34 4.31 1uwyA1 ARG 38 HB2 -0.01 -0.19 0.05 -0.04 1.90 1.70 1uwyA1 ARG 38 HB3 0.04 0.11 0.04 -0.04 1.80 1.94 1uwyA1 ARG 38 HG2 0.01 0.15 -0.16 -0.04 1.67 1.62 1uwyA1 ARG 38 HG3 0.02 0.00 -0.05 -0.04 1.67 1.60 1uwyA1 ARG 38 HD2 0.09 -0.04 -0.11 -0.04 3.22 3.11 1uwyA1 ARG 38 HD3 0.08 0.06 -0.01 -0.04 3.22 3.31 1uwyA1 ASN 39 H -0.01 0.13 0.19 -0.55 8.53 8.29 1uwyA1 ASN 39 HA -0.43 0.27 0.97 -0.75 4.76 4.82 1uwyA1 ASN 39 HB2 -0.29 -0.02 0.16 -0.04 2.88 2.68 1uwyA1 ASN 39 HB3 -2.68 0.00 -0.03 -0.04 2.79 0.04 1uwyA1 ASN 39 HD21 -0.24 0.04 -0.06 -0.04 7.03 6.73 1uwyA1 ASN 39 HD22 -0.14 -0.02 -0.03 -0.04 7.74 7.51 1uwyA1 LEU 40 H -0.52 0.49 0.20 -0.55 8.37 8.00 1uwyA1 LEU 40 HA -0.24 0.19 0.72 -0.75 4.35 4.27 1uwyA1 LEU 40 HB2 -0.33 -0.10 0.13 -0.04 1.64 1.29 1uwyA1 LEU 40 HB3 -0.29 0.04 0.04 -0.04 1.64 1.39 1uwyA1 LEU 40 HG -0.20 0.02 -0.49 -0.04 1.64 0.93 1uwyA1 LEU 40 HD13 -0.11 -0.01 -0.14 -0.04 0.93 0.63 1uwyA1 LEU 40 HD23 -0.13 -0.04 -0.45 -0.04 0.89 0.23 1uwyA1 TRP 41 H -0.28 0.25 -0.19 -0.55 7.97 7.20 1uwyA1 TRP 41 HA -0.19 0.33 0.60 -0.75 4.62 4.61 1uwyA1 TRP 41 HB2 -0.08 -0.06 0.03 -0.04 3.23 3.08 1uwyA1 TRP 41 HB3 -0.07 0.09 0.03 -0.04 3.23 3.24 1uwyA1 TRP 41 HD1 -0.05 0.02 0.06 -0.04 7.22 7.21 1uwyA1 TRP 41 HE1 -0.02 -0.09 0.08 -0.04 10.20 10.13 1uwyA1 TRP 41 HE3 -0.05 0.15 -0.12 -0.04 7.59 7.53 1uwyA1 TRP 41 HZ2 -0.01 -0.03 0.01 -0.04 7.44 7.36 1uwyA1 TRP 41 HZ3 -0.00 0.05 -0.11 -0.04 7.13 7.02 1uwyA1 TRP 41 HH2 -0.00 0.02 -0.03 -0.04 7.19 7.13 1uwyA1 VAL 42 H -0.03 0.50 0.45 -0.55 8.24 8.60 1uwyA1 VAL 42 HA -0.04 0.34 1.04 -0.75 4.13 4.71 1uwyA1 VAL 42 HB -0.34 -0.08 -0.00 -0.04 2.12 1.66 1uwyA1 VAL 42 HG13 0.24 0.00 -0.22 -0.04 0.97 0.95 1uwyA1 VAL 42 HG23 -0.85 0.00 -0.19 -0.04 0.95 -0.13 1uwyA1 LEU 43 H 0.12 0.70 0.42 -0.55 8.37 9.07 1uwyA1 LEU 43 HA 0.09 0.28 1.13 -0.75 4.35 5.09 1uwyA1 LEU 43 HB2 0.06 -0.08 -0.06 -0.04 1.64 1.52 1uwyA1 LEU 43 HB3 0.09 -0.04 0.15 -0.04 1.64 1.80 1uwyA1 LEU 43 HG 0.03 0.00 -0.06 -0.04 1.64 1.57 1uwyA1 LEU 43 HD13 -0.04 -0.02 -0.08 -0.04 0.93 0.75 1uwyA1 LEU 43 HD23 0.04 0.04 -0.30 -0.04 0.89 0.63 1uwyA1 VAL 44 H 0.07 0.69 0.38 -0.55 8.24 8.83 1uwyA1 VAL 44 HA 0.05 0.37 1.25 -0.75 4.13 5.05 1uwyA1 VAL 44 HB -0.01 -0.08 0.02 -0.04 2.12 2.00 1uwyA1 VAL 44 HG13 -0.29 0.01 -0.34 -0.04 0.97 0.30 1uwyA1 VAL 44 HG23 -0.10 -0.02 -0.14 -0.04 0.95 0.66 1uwyA1 VAL 45 H 0.05 0.76 0.36 -0.55 8.24 8.87 1uwyA1 VAL 45 HA 0.03 0.38 1.14 -0.75 4.13 4.93 1uwyA1 VAL 45 HB 0.06 -0.10 0.19 -0.04 2.12 2.23 1uwyA1 VAL 45 HG13 0.01 0.03 -0.09 -0.04 0.97 0.87 1uwyA1 VAL 45 HG23 0.05 -0.01 -0.16 -0.04 0.95 0.78 1uwyA1 GLY 46 H 0.01 0.60 0.20 -0.55 8.43 8.69 1uwyA1 GLY 46 HA2 -0.03 0.42 0.77 -0.51 4.01 4.66 1uwyA1 GLY 46 HA3 -0.01 -0.10 0.31 -0.51 4.01 3.70 1uwyA1 ARG 47 H -0.22 0.44 0.32 -0.55 8.46 8.45 1uwyA1 ARG 47 HA -0.20 0.02 0.50 -0.75 4.34 3.90 1uwyA1 ARG 47 HB2 -0.41 0.18 0.33 -0.04 1.90 1.97 1uwyA1 ARG 47 HB3 -1.36 -0.07 0.15 -0.04 1.80 0.47 1uwyA1 ARG 47 HG2 -0.34 -0.07 0.05 -0.04 1.67 1.26 1uwyA1 ARG 47 HG3 -0.56 -0.04 -0.02 -0.04 1.67 1.00 1uwyA1 ARG 47 HD2 -0.11 -0.09 0.05 -0.04 3.22 3.03 1uwyA1 ARG 47 HD3 -0.16 0.11 0.19 -0.04 3.22 3.33 1uwyA1 PHE 48 H -0.38 0.10 -0.15 -0.55 8.34 7.36 1uwyA1 PHE 48 HA -0.00 0.29 0.96 -0.75 4.62 5.11 1uwyA1 PHE 48 HB2 -0.02 0.01 0.18 -0.04 3.15 3.28 1uwyA1 PHE 48 HB3 -0.02 -0.01 0.08 -0.04 3.06 3.07 1uwyA1 PHE 48 HD2 -0.02 0.05 -0.05 -0.04 7.28 7.22 1uwyA1 PHE 48 HE2 -0.01 -0.01 -0.04 -0.04 7.38 7.28 1uwyA1 PHE 48 HZ -0.01 -0.03 -0.04 -0.04 7.32 7.20 1uwyA1 PRO 49 HA 0.07 -0.02 0.25 -0.51 4.44 4.23 1uwyA1 PRO 49 HB2 0.11 -0.04 -0.41 -0.04 2.28 1.90 1uwyA1 PRO 49 HB3 0.05 -0.01 -0.34 -0.04 2.02 1.69 1uwyA1 PRO 49 HG2 0.05 0.06 -0.15 -0.04 2.03 1.94 1uwyA1 PRO 49 HG3 0.04 -0.16 -0.37 -0.04 2.03 1.50 1uwyA1 PRO 49 HD2 0.05 0.31 0.01 -0.04 3.68 4.00 1uwyA1 PRO 49 HD3 0.01 0.74 -0.36 -0.04 3.65 4.00 1uwyA1 LYS 50 H 0.12 0.06 -0.06 -0.55 8.42 7.99 1uwyA1 LYS 50 HA 0.29 -0.07 0.26 -0.75 4.32 4.05 1uwyA1 LYS 50 HB2 -0.22 -0.04 -0.20 -0.04 1.87 1.37 1uwyA1 LYS 50 HB3 -0.03 0.42 0.34 -0.04 1.79 2.48 1uwyA1 LYS 50 HG2 -0.02 -0.01 -0.10 -0.04 1.46 1.29 1uwyA1 LYS 50 HG3 -0.14 -0.09 0.05 -0.04 1.46 1.24 1uwyA1 LYS 50 HD2 -0.27 -0.01 -0.01 -0.04 1.69 1.35 1uwyA1 LYS 50 HD3 -0.09 0.07 -0.03 -0.04 1.68 1.59 1uwyA1 LYS 50 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 1uwyA1 LYS 50 HE3 -0.09 -0.05 0.00 -0.04 2.99 2.81 1uwyA1 GLU 51 H 0.09 0.41 -0.50 -0.55 8.60 8.05 1uwyA1 GLU 51 HA 0.08 0.05 0.83 -0.75 4.29 4.50 1uwyA1 GLU 51 HB2 -0.01 0.06 -0.02 -0.04 2.09 2.07 1uwyA1 GLU 51 HB3 0.02 -0.01 -0.16 -0.04 1.99 1.80 1uwyA1 GLU 51 HG2 0.03 0.10 -0.16 -0.04 2.34 2.27 1uwyA1 GLU 51 HG3 -0.01 0.05 -0.05 -0.04 2.34 2.29 1uwyA1 HIS 52 H 0.16 0.07 0.08 -0.55 8.41 8.17 1uwyA1 HIS 52 HA 0.07 0.08 0.33 -0.75 4.63 4.35 1uwyA1 HIS 52 HB2 0.02 -0.01 0.08 -0.04 3.26 3.31 1uwyA1 HIS 52 HB3 0.05 -0.03 0.10 -0.04 3.20 3.28 1uwyA1 HIS 52 HD2 0.02 -0.05 -0.14 -0.04 6.97 6.76 1uwyA1 HIS 52 HE1 0.15 0.11 -0.19 -0.04 7.75 7.77 1uwyA1 ARG 53 H -0.35 0.28 0.13 -0.55 8.46 7.97 1uwyA1 ARG 53 HA -0.49 0.08 0.80 -0.75 4.34 3.98 1uwyA1 ARG 53 HB2 0.05 -0.01 0.08 -0.04 1.90 1.97 1uwyA1 ARG 53 HB3 -0.17 -0.01 0.03 -0.04 1.80 1.60 1uwyA1 ARG 53 HG2 0.02 0.26 -0.40 -0.04 1.67 1.51 1uwyA1 ARG 53 HG3 0.16 -0.04 -0.04 -0.04 1.67 1.70 1uwyA1 ARG 53 HD2 -0.25 0.21 0.04 -0.04 3.22 3.19 1uwyA1 ARG 53 HD3 -0.18 -0.00 -0.10 -0.04 3.22 2.89 1uwyA1 ILE 54 H -0.41 0.11 0.06 -0.55 8.25 7.46 1uwyA1 ILE 54 HA 0.07 -0.02 0.36 -0.75 4.18 3.83 1uwyA1 ILE 54 HB -0.13 -0.00 0.12 -0.04 1.89 1.84 1uwyA1 ILE 54 HG12 -0.03 0.04 0.03 -0.04 1.49 1.49 1uwyA1 ILE 54 HG13 0.03 -0.02 0.04 -0.04 1.21 1.23 1uwyA1 ILE 54 HG23 -0.01 -0.00 -0.18 -0.04 0.93 0.69 1uwyA1 ILE 54 HD13 -0.50 -0.01 0.02 -0.04 0.88 0.35 1uwyA1 GLY 55 H 0.18 0.08 0.06 -0.55 8.43 8.21 1uwyA1 GLY 55 HA2 0.05 -0.07 0.33 -0.51 4.01 3.80 1uwyA1 GLY 55 HA3 0.07 0.17 0.71 -0.51 4.01 4.45 1uwyA1 ILE 56 H 0.14 0.40 -0.34 -0.55 8.25 7.90 1uwyA1 ILE 56 HA 0.19 0.25 0.76 -0.75 4.18 4.63 1uwyA1 ILE 56 HB 0.14 0.08 -0.10 -0.04 1.89 1.97 1uwyA1 ILE 56 HG12 0.21 -0.02 -0.02 -0.04 1.49 1.61 1uwyA1 ILE 56 HG13 0.10 0.26 0.14 -0.04 1.21 1.68 1uwyA1 ILE 56 HG23 0.17 0.00 -0.08 -0.04 0.93 0.98 1uwyA1 ILE 56 HD13 0.19 -0.12 -0.01 -0.04 0.88 0.90 1uwyA1 PRO 57 HA -0.41 -0.01 0.56 -0.51 4.44 4.07 1uwyA1 PRO 57 HB2 -0.20 -0.01 0.02 -0.04 2.28 2.05 1uwyA1 PRO 57 HB3 -0.44 0.00 0.14 -0.04 2.02 1.68 1uwyA1 PRO 57 HG2 0.02 0.08 0.08 -0.04 2.03 2.16 1uwyA1 PRO 57 HG3 0.23 -0.02 0.05 -0.04 2.03 2.25 1uwyA1 PRO 57 HD2 0.19 0.17 0.31 -0.04 3.68 4.31 1uwyA1 PRO 57 HD3 0.25 0.32 0.49 -0.04 3.65 4.67 1uwyA1 GLU 58 H -0.29 0.17 0.25 -0.55 8.60 8.19 1uwyA1 GLU 58 HA 0.14 0.27 0.77 -0.75 4.29 4.72 1uwyA1 GLU 58 HB2 -0.25 0.02 -0.04 -0.04 2.09 1.77 1uwyA1 GLU 58 HB3 -0.14 -0.02 -0.05 -0.04 1.99 1.74 1uwyA1 GLU 58 HG2 -0.15 0.06 0.01 -0.04 2.34 2.22 1uwyA1 GLU 58 HG3 -0.33 -0.15 -0.13 -0.04 2.34 1.69 1uwyA1 PHE 59 H 0.38 0.55 0.38 -0.55 8.34 9.09 1uwyA1 PHE 59 HA -0.02 0.22 0.96 -0.75 4.62 5.02 1uwyA1 PHE 59 HB2 -0.10 0.06 -0.13 -0.04 3.15 2.94 1uwyA1 PHE 59 HB3 0.00 -0.04 0.02 -0.04 3.06 3.00 1uwyA1 PHE 59 HD2 -0.15 -0.06 -0.30 -0.04 7.28 6.72 1uwyA1 PHE 59 HE2 -0.96 -0.02 -0.28 -0.04 7.38 6.08 1uwyA1 PHE 59 HZ -0.43 -0.06 -0.18 -0.04 7.32 6.60 1uwyA1 LYS 60 H -0.87 0.49 0.36 -0.55 8.42 7.85 1uwyA1 LYS 60 HA 0.20 0.48 1.10 -0.75 4.32 5.34 1uwyA1 LYS 60 HB2 -0.00 -0.11 -0.06 -0.04 1.87 1.66 1uwyA1 LYS 60 HB3 -0.17 0.05 -0.09 -0.04 1.79 1.53 1uwyA1 LYS 60 HG2 -0.65 0.03 -0.14 -0.04 1.46 0.66 1uwyA1 LYS 60 HG3 -0.48 -0.12 -0.10 -0.04 1.46 0.72 1uwyA1 LYS 60 HD2 -1.03 -0.08 -0.17 -0.04 1.69 0.38 1uwyA1 LYS 60 HD3 -2.54 0.05 -0.18 -0.04 1.68 -1.02 1uwyA1 LYS 60 HE2 -1.38 0.04 -0.12 -0.04 2.99 1.48 1uwyA1 LYS 60 HE3 -1.25 0.06 -0.17 -0.04 2.99 1.59 1uwyA1 TYR 61 H 0.29 0.41 0.22 -0.55 8.29 8.66 1uwyA1 TYR 61 HA 0.07 0.34 0.92 -0.75 4.56 5.13 1uwyA1 TYR 61 HB2 0.25 0.01 0.14 -0.04 3.06 3.42 1uwyA1 TYR 61 HB3 0.15 -0.07 0.02 -0.04 2.98 3.04 1uwyA1 TYR 61 HD2 0.21 0.11 0.03 -0.04 7.15 7.46 1uwyA1 TYR 61 HE2 0.15 -0.01 -0.10 -0.04 6.85 6.85 1uwyA1 VAL 62 H 0.13 0.26 0.14 -0.55 8.24 8.23 1uwyA1 VAL 62 HA 0.12 0.23 0.94 -0.75 4.13 4.67 1uwyA1 VAL 62 HB 0.07 -0.07 0.07 -0.04 2.12 2.15 1uwyA1 VAL 62 HG13 0.06 -0.02 -0.05 -0.04 0.97 0.92 1uwyA1 VAL 62 HG23 0.31 0.02 -0.12 -0.04 0.95 1.12 1uwyA1 ALA 63 H -0.00 0.48 0.24 -0.55 8.40 8.57 1uwyA1 ALA 63 HA -0.13 0.10 0.71 -0.75 4.34 4.27 1uwyA1 ALA 63 HB3 -0.06 0.03 -0.10 -0.04 1.41 1.24 1uwyA1 ASN 64 H -0.16 0.30 0.19 -0.55 8.53 8.31 1uwyA1 ASN 64 HA -0.09 0.23 0.38 -0.75 4.76 4.52 1uwyA1 ASN 64 HB2 -0.10 0.16 -0.07 -0.04 2.88 2.83 1uwyA1 ASN 64 HB3 -0.07 -0.16 0.23 -0.04 2.79 2.75 1uwyA1 ASN 64 HD21 -0.02 0.12 -0.01 -0.04 7.03 7.08 1uwyA1 ASN 64 HD22 -0.08 0.23 0.00 -0.04 7.74 7.85 1uwyA1 MET 65 H -0.20 0.17 -0.27 -0.55 8.47 7.62 1uwyA1 MET 65 HA -0.01 -0.00 0.21 -0.75 4.52 3.97 1uwyA1 MET 65 HB2 0.01 -0.01 -0.05 -0.04 2.15 2.06 1uwyA1 MET 65 HB3 -0.08 0.02 -0.08 -0.04 2.03 1.85 1uwyA1 MET 65 HG2 -0.50 0.08 -0.10 -0.04 2.63 2.06 1uwyA1 MET 65 HG3 -0.43 0.02 -0.37 -0.04 2.56 1.74 1uwyA1 MET 65 HE3 0.04 0.02 -0.10 -0.04 2.10 2.01 1uwyA1 HIS 66 H -0.04 0.09 -0.42 -0.55 8.41 7.49 1uwyA1 HIS 66 HA 0.06 0.42 0.91 -0.75 4.63 5.26 1uwyA1 HIS 66 HB2 0.08 -0.02 0.15 -0.04 3.26 3.43 1uwyA1 HIS 66 HB3 0.07 -0.02 0.02 -0.04 3.20 3.23 1uwyA1 HIS 66 HD2 0.10 0.14 -0.10 -0.04 6.97 7.06 1uwyA1 HIS 66 HE1 -0.08 0.08 -0.07 -0.04 7.75 7.64 1uwyA1 GLY 67 H 0.13 0.49 0.10 -0.55 8.43 8.60 1uwyA1 GLY 67 HA2 0.12 0.16 0.28 -0.51 4.01 4.06 1uwyA1 GLY 67 HA3 0.09 -0.44 0.25 -0.51 4.01 3.41 1uwyA1 ASP 68 H 0.07 -0.00 -0.34 -0.55 8.40 7.58 1uwyA1 ASP 68 HA -0.01 0.10 0.18 -0.75 4.63 4.15 1uwyA1 ASP 68 HB2 0.14 0.07 -0.12 -0.04 2.71 2.76 1uwyA1 ASP 68 HB3 0.11 -0.10 -0.14 -0.04 2.70 2.53 1uwyA1 GLU 69 H 0.05 0.53 -0.41 -0.55 8.60 8.22 1uwyA1 GLU 69 HA -0.03 0.36 0.75 -0.75 4.29 4.62 1uwyA1 GLU 69 HB2 0.07 0.02 0.27 -0.04 2.09 2.40 1uwyA1 GLU 69 HB3 0.02 -0.17 0.18 -0.04 1.99 1.98 1uwyA1 GLU 69 HG2 0.09 0.14 0.10 -0.04 2.34 2.63 1uwyA1 GLU 69 HG3 0.11 -0.06 -0.08 -0.04 2.34 2.28 1uwyA1 THR 70 H -0.23 0.64 0.34 -0.55 8.28 8.48 1uwyA1 THR 70 HA -0.18 0.09 0.55 -0.75 4.39 4.10 1uwyA1 THR 70 HB -0.29 -0.09 0.04 -0.04 4.32 3.94 1uwyA1 THR 70 HG23 -1.21 0.10 -0.04 -0.04 1.22 0.02 1uwyA1 VAL 71 H -0.12 0.24 -0.06 -0.55 8.24 7.75 1uwyA1 VAL 71 HA -0.08 0.08 0.23 -0.75 4.13 3.61 1uwyA1 VAL 71 HB -0.25 -0.03 -0.09 -0.04 2.12 1.71 1uwyA1 VAL 71 HG13 -0.47 0.03 -0.19 -0.04 0.97 0.30 1uwyA1 VAL 71 HG23 -0.61 0.02 -0.07 -0.04 0.95 0.25 1uwyA1 GLY 72 H -0.10 0.14 -0.28 -0.55 8.43 7.65 1uwyA1 GLY 72 HA2 -0.05 0.10 0.35 -0.51 4.01 3.90 1uwyA1 GLY 72 HA3 -0.08 0.04 0.20 -0.51 4.01 3.66 1uwyA1 ARG 73 H -0.08 0.16 -0.32 -0.55 8.46 7.66 1uwyA1 ARG 73 HA -0.09 0.33 0.43 -0.75 4.34 4.25 1uwyA1 ARG 73 HB2 -0.18 -0.00 0.13 -0.04 1.90 1.81 1uwyA1 ARG 73 HB3 -0.14 0.10 0.15 -0.04 1.80 1.87 1uwyA1 ARG 73 HG2 -0.19 -0.03 -0.15 -0.04 1.67 1.26 1uwyA1 ARG 73 HG3 -0.21 0.07 -0.10 -0.04 1.67 1.40 1uwyA1 ARG 73 HD2 -0.72 0.02 -0.02 -0.04 3.22 2.46 1uwyA1 ARG 73 HD3 -0.73 -0.05 -0.08 -0.04 3.22 2.33 1uwyA1 GLU 74 H 0.03 0.42 -0.20 -0.55 8.60 8.30 1uwyA1 GLU 74 HA 0.01 0.04 0.36 -0.75 4.29 3.94 1uwyA1 GLU 74 HB2 0.15 0.11 0.04 -0.04 2.09 2.35 1uwyA1 GLU 74 HB3 0.21 0.01 -0.03 -0.04 1.99 2.14 1uwyA1 GLU 74 HG2 0.27 0.11 0.01 -0.04 2.34 2.69 1uwyA1 GLU 74 HG3 0.24 -0.03 -0.11 -0.04 2.34 2.41 1uwyA1 LEU 75 H 0.06 0.42 -0.12 -0.55 8.37 8.19 1uwyA1 LEU 75 HA 0.33 0.05 0.42 -0.75 4.35 4.40 1uwyA1 LEU 75 HB2 0.04 -0.01 0.07 -0.04 1.64 1.69 1uwyA1 LEU 75 HB3 0.18 0.01 -0.05 -0.04 1.64 1.74 1uwyA1 LEU 75 HG 0.04 0.36 -0.15 -0.04 1.64 1.86 1uwyA1 LEU 75 HD13 0.04 -0.01 -0.16 -0.04 0.93 0.76 1uwyA1 LEU 75 HD23 0.29 -0.03 -0.26 -0.04 0.89 0.84 1uwyA1 LEU 76 H 0.01 0.64 -0.17 -0.55 8.37 8.31 1uwyA1 LEU 76 HA 0.05 0.03 0.35 -0.75 4.35 4.03 1uwyA1 LEU 76 HB2 -0.01 0.15 0.12 -0.04 1.64 1.86 1uwyA1 LEU 76 HB3 0.05 -0.06 -0.08 -0.04 1.64 1.51 1uwyA1 LEU 76 HG -0.05 0.11 -0.01 -0.04 1.64 1.65 1uwyA1 LEU 76 HD13 0.07 -0.02 -0.33 -0.04 0.93 0.60 1uwyA1 LEU 76 HD23 -0.13 -0.01 -0.09 -0.04 0.89 0.61 1uwyA1 LEU 77 H -0.09 0.37 -0.20 -0.55 8.37 7.90 1uwyA1 LEU 77 HA -0.13 0.05 0.46 -0.75 4.35 3.97 1uwyA1 LEU 77 HB2 -0.45 0.07 0.13 -0.04 1.64 1.35 1uwyA1 LEU 77 HB3 -0.89 -0.01 0.00 -0.04 1.64 0.71 1uwyA1 LEU 77 HG -0.15 0.06 0.06 -0.04 1.64 1.56 1uwyA1 LEU 77 HD13 -0.29 -0.02 -0.04 -0.04 0.93 0.54 1uwyA1 LEU 77 HD23 -0.13 -0.01 -0.00 -0.04 0.89 0.71 1uwyA1 HIS 78 H -0.16 0.45 -0.18 -0.55 8.41 7.97 1uwyA1 HIS 78 HA -0.55 0.04 0.33 -0.75 4.63 3.69 1uwyA1 HIS 78 HB2 -0.25 0.13 0.16 -0.04 3.26 3.26 1uwyA1 HIS 78 HB3 -1.30 -0.05 -0.02 -0.04 3.20 1.79 1uwyA1 HIS 78 HD2 -0.20 0.12 0.01 -0.04 6.97 6.85 1uwyA1 HIS 78 HE1 -1.57 0.14 -0.45 -0.04 7.75 5.82 1uwyA1 LEU 79 H 0.07 0.48 -0.28 -0.55 8.37 8.10 1uwyA1 LEU 79 HA 0.40 -0.02 0.40 -0.75 4.35 4.38 1uwyA1 LEU 79 HB2 0.29 -0.00 0.02 -0.04 1.64 1.91 1uwyA1 LEU 79 HB3 0.16 0.06 0.12 -0.04 1.64 1.94 1uwyA1 LEU 79 HG 0.24 0.03 -0.36 -0.04 1.64 1.51 1uwyA1 LEU 79 HD13 0.29 -0.02 -0.04 -0.04 0.93 1.12 1uwyA1 LEU 79 HD23 0.25 -0.01 -0.12 -0.04 0.89 0.98 1uwyA1 ILE 80 H 0.07 0.53 -0.19 -0.55 8.25 8.10 1uwyA1 ILE 80 HA 0.10 -0.02 0.28 -0.75 4.18 3.79 1uwyA1 ILE 80 HB 0.09 0.26 0.28 -0.04 1.89 2.48 1uwyA1 ILE 80 HG12 0.11 -0.00 0.00 -0.04 1.49 1.56 1uwyA1 ILE 80 HG13 0.12 0.06 0.07 -0.04 1.21 1.42 1uwyA1 ILE 80 HG23 0.25 -0.03 -0.18 -0.04 0.93 0.92 1uwyA1 ILE 80 HD13 0.11 -0.04 -0.03 -0.04 0.88 0.88 1uwyA1 ASP 81 H -0.01 0.45 -0.15 -0.55 8.40 8.15 1uwyA1 ASP 81 HA 0.01 -0.01 0.36 -0.75 4.63 4.23 1uwyA1 ASP 81 HB2 0.00 -0.02 0.07 -0.04 2.71 2.72 1uwyA1 ASP 81 HB3 -0.18 0.03 0.12 -0.04 2.70 2.63 1uwyA1 TYR 82 H 0.00 0.50 -0.09 -0.55 8.29 8.15 1uwyA1 TYR 82 HA -0.00 -0.07 0.28 -0.75 4.56 4.01 1uwyA1 TYR 82 HB2 0.04 0.06 0.18 -0.04 3.06 3.29 1uwyA1 TYR 82 HB3 0.16 0.20 0.20 -0.04 2.98 3.50 1uwyA1 TYR 82 HD2 0.21 0.02 -0.05 -0.04 7.15 7.29 1uwyA1 TYR 82 HE2 0.16 -0.03 -0.06 -0.04 6.85 6.88 1uwyA1 LEU 83 H 0.21 0.52 -0.22 -0.55 8.37 8.34 1uwyA1 LEU 83 HA -0.05 -0.10 0.34 -0.75 4.35 3.79 1uwyA1 LEU 83 HB2 0.05 0.17 0.13 -0.04 1.64 1.95 1uwyA1 LEU 83 HB3 0.02 -0.00 -0.02 -0.04 1.64 1.60 1uwyA1 LEU 83 HG 0.29 -0.04 -0.03 -0.04 1.64 1.82 1uwyA1 LEU 83 HD13 0.16 -0.01 -0.19 -0.04 0.93 0.85 1uwyA1 LEU 83 HD23 0.08 -0.02 -0.06 -0.04 0.89 0.85 1uwyA1 VAL 84 H -0.11 0.48 0.07 -0.55 8.24 8.13 1uwyA1 VAL 84 HA -0.19 0.01 0.35 -0.75 4.13 3.54 1uwyA1 VAL 84 HB -1.43 -0.03 0.02 -0.04 2.12 0.64 1uwyA1 VAL 84 HG13 -0.25 0.01 0.02 -0.04 0.97 0.71 1uwyA1 VAL 84 HG23 -0.47 0.02 0.12 -0.04 0.95 0.58 1uwyA1 THR 85 H -0.19 0.53 -0.15 -0.55 8.28 7.92 1uwyA1 THR 85 HA -0.01 0.08 0.46 -0.75 4.39 4.16 1uwyA1 THR 85 HB 0.00 -0.09 0.07 -0.04 4.32 4.26 1uwyA1 THR 85 HG23 -0.03 -0.01 -0.02 -0.04 1.22 1.11 1uwyA1 SER 86 H -0.16 0.63 -0.12 -0.55 8.46 8.26 1uwyA1 SER 86 HA -0.12 -0.01 0.71 -0.75 4.49 4.31 1uwyA1 SER 86 HB2 -0.27 0.05 -0.00 -0.04 3.95 3.68 1uwyA1 SER 86 HB3 -0.28 -0.22 0.07 -0.04 3.93 3.46 1uwyA1 ASP 87 H -0.08 0.59 -0.06 -0.55 8.40 8.31 1uwyA1 ASP 87 HA -0.03 -0.11 0.36 -0.75 4.63 4.10 1uwyA1 ASP 87 HB2 -0.04 0.06 0.10 -0.04 2.71 2.80 1uwyA1 ASP 87 HB3 0.00 0.18 0.20 -0.04 2.70 3.05 1uwyA1 GLY 88 H -0.01 0.10 0.13 -0.55 8.43 8.11 1uwyA1 GLY 88 HA2 0.00 -0.04 0.34 -0.51 4.01 3.80 1uwyA1 GLY 88 HA3 0.01 0.19 0.70 -0.51 4.01 4.40 1uwyA1 LYS 89 H -0.01 0.39 -0.51 -0.55 8.42 7.74 1uwyA1 LYS 89 HA 0.00 0.11 0.76 -0.75 4.32 4.44 1uwyA1 LYS 89 HB2 -0.01 0.02 0.12 -0.04 1.87 1.96 1uwyA1 LYS 89 HB3 0.00 -0.10 0.04 -0.04 1.79 1.70 1uwyA1 LYS 89 HG2 0.01 -0.09 -0.03 -0.04 1.46 1.31 1uwyA1 LYS 89 HG3 0.01 0.02 -0.13 -0.04 1.46 1.32 1uwyA1 LYS 89 HD2 -0.00 0.50 0.13 -0.04 1.69 2.27 1uwyA1 LYS 89 HD3 0.01 -0.14 0.04 -0.04 1.68 1.55 1uwyA1 LYS 89 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 1uwyA1 LYS 89 HE3 0.03 0.01 0.06 -0.04 2.99 3.04 1uwyA1 ASP 90 H -0.03 0.54 0.17 -0.55 8.40 8.53 1uwyA1 ASP 90 HA 0.01 0.15 0.70 -0.75 4.63 4.73 1uwyA1 ASP 90 HB2 -0.02 0.04 0.08 -0.04 2.71 2.77 1uwyA1 ASP 90 HB3 -0.05 0.04 0.13 -0.04 2.70 2.77 1uwyA1 PRO 91 HA 0.02 0.13 0.40 -0.51 4.44 4.47 1uwyA1 PRO 91 HB2 0.01 0.04 0.07 -0.04 2.28 2.36 1uwyA1 PRO 91 HB3 0.01 0.10 0.10 -0.04 2.02 2.19 1uwyA1 PRO 91 HG2 0.03 -0.25 0.19 -0.04 2.03 1.96 1uwyA1 PRO 91 HG3 0.01 0.09 0.12 -0.04 2.03 2.21 1uwyA1 PRO 91 HD2 0.02 0.04 0.25 -0.04 3.68 3.94 1uwyA1 PRO 91 HD3 0.01 0.32 0.26 -0.04 3.65 4.19 1uwyA1 GLU 92 H 0.06 0.16 0.02 -0.55 8.60 8.29 1uwyA1 GLU 92 HA 0.18 0.07 0.25 -0.75 4.29 4.04 1uwyA1 GLU 92 HB2 0.12 0.03 0.09 -0.04 2.09 2.28 1uwyA1 GLU 92 HB3 0.11 -0.06 0.04 -0.04 1.99 2.04 1uwyA1 GLU 92 HG2 0.17 0.02 -0.40 -0.04 2.34 2.09 1uwyA1 GLU 92 HG3 0.54 0.03 -0.06 -0.04 2.34 2.81 1uwyA1 ILE 93 H 0.06 0.05 -0.35 -0.55 8.25 7.46 1uwyA1 ILE 93 HA 0.03 0.04 0.32 -0.75 4.18 3.81 1uwyA1 ILE 93 HB 0.01 -0.04 -0.00 -0.04 1.89 1.82 1uwyA1 ILE 93 HG12 -0.04 0.06 -0.45 -0.04 1.49 1.02 1uwyA1 ILE 93 HG13 0.01 -0.04 -0.02 -0.04 1.21 1.11 1uwyA1 ILE 93 HG23 -0.06 -0.00 -0.12 -0.04 0.93 0.71 1uwyA1 ILE 93 HD13 -0.17 -0.01 -0.10 -0.04 0.88 0.56 1uwyA1 THR 94 H 0.02 0.50 -0.16 -0.55 8.28 8.09 1uwyA1 THR 94 HA 0.00 -0.02 0.39 -0.75 4.39 4.00 1uwyA1 THR 94 HB 0.02 0.22 0.23 -0.04 4.32 4.74 1uwyA1 THR 94 HG23 0.01 -0.01 -0.17 -0.04 1.22 1.01 1uwyA1 ASN 95 H 0.10 0.56 -0.13 -0.55 8.53 8.52 1uwyA1 ASN 95 HA 0.07 -0.04 0.33 -0.75 4.76 4.37 1uwyA1 ASN 95 HB2 0.43 0.18 0.09 -0.04 2.88 3.54 1uwyA1 ASN 95 HB3 0.10 -0.06 -0.01 -0.04 2.79 2.78 1uwyA1 ASN 95 HD21 -0.07 -0.04 -0.02 -0.04 7.03 6.86 1uwyA1 ASN 95 HD22 -0.12 -0.00 0.01 -0.04 7.74 7.59 1uwyA1 LEU 96 H 0.18 0.46 -0.27 -0.55 8.37 8.20 1uwyA1 LEU 96 HA -0.01 0.02 0.37 -0.75 4.35 3.98 1uwyA1 LEU 96 HB2 -0.37 -0.03 0.07 -0.04 1.64 1.27 1uwyA1 LEU 96 HB3 -0.08 0.10 0.18 -0.04 1.64 1.80 1uwyA1 LEU 96 HG -0.15 0.03 -0.24 -0.04 1.64 1.24 1uwyA1 LEU 96 HD13 -0.58 -0.02 -0.10 -0.04 0.93 0.19 1uwyA1 LEU 96 HD23 -0.12 -0.03 -0.10 -0.04 0.89 0.60 1uwyA1 ILE 97 H -0.00 0.60 0.08 -0.55 8.25 8.37 1uwyA1 ILE 97 HA -0.01 -0.02 0.23 -0.75 4.18 3.63 1uwyA1 ILE 97 HB -0.02 0.01 -0.15 -0.04 1.89 1.69 1uwyA1 ILE 97 HG12 -0.01 -0.11 -0.01 -0.04 1.49 1.32 1uwyA1 ILE 97 HG13 -0.00 0.28 0.14 -0.04 1.21 1.59 1uwyA1 ILE 97 HG23 -0.01 -0.02 -0.09 -0.04 0.93 0.77 1uwyA1 ILE 97 HD13 -0.03 -0.06 -0.16 -0.04 0.88 0.59 1uwyA1 ASN 98 H 0.00 0.49 -0.65 -0.55 8.53 7.83 1uwyA1 ASN 98 HA -0.12 -0.07 0.54 -0.75 4.76 4.36 1uwyA1 ASN 98 HB2 0.01 0.23 0.27 -0.04 2.88 3.35 1uwyA1 ASN 98 HB3 -0.05 -0.09 0.11 -0.04 2.79 2.72 1uwyA1 ASN 98 HD21 -0.02 -0.06 -0.03 -0.04 7.03 6.87 1uwyA1 ASN 98 HD22 -0.03 -0.03 0.01 -0.04 7.74 7.65 1uwyA1 SER 99 H 0.04 0.41 0.21 -0.55 8.46 8.57 1uwyA1 SER 99 HA 0.04 -0.12 0.29 -0.75 4.49 3.94 1uwyA1 SER 99 HB2 -0.01 0.03 0.25 -0.04 3.95 4.17 1uwyA1 SER 99 HB3 0.07 -0.08 0.24 -0.04 3.93 4.12 1uwyA1 THR 100 H 0.03 0.42 -0.46 -0.55 8.28 7.72 1uwyA1 THR 100 HA 0.12 0.16 0.88 -0.75 4.39 4.79 1uwyA1 THR 100 HB 0.02 -0.09 -0.21 -0.04 4.32 3.99 1uwyA1 THR 100 HG23 0.01 -0.05 -0.06 -0.04 1.22 1.07 1uwyA1 ARG 101 H 0.11 0.49 0.12 -0.55 8.46 8.62 1uwyA1 ARG 101 HA 0.06 0.27 0.92 -0.75 4.34 4.83 1uwyA1 ARG 101 HB2 0.11 0.05 -0.13 -0.04 1.90 1.90 1uwyA1 ARG 101 HB3 0.18 -0.02 0.06 -0.04 1.80 1.98 1uwyA1 ARG 101 HG2 0.16 -0.11 -0.19 -0.04 1.67 1.48 1uwyA1 ARG 101 HG3 -0.00 0.03 -0.32 -0.04 1.67 1.34 1uwyA1 ARG 101 HD2 0.05 0.00 -0.28 -0.04 3.22 2.95 1uwyA1 ARG 101 HD3 0.12 0.13 -0.21 -0.04 3.22 3.22 1uwyA1 ILE 102 H 0.09 0.78 0.21 -0.55 8.25 8.78 1uwyA1 ILE 102 HA 0.33 0.13 0.77 -0.75 4.18 4.67 1uwyA1 ILE 102 HB 0.09 0.07 0.20 -0.04 1.89 2.21 1uwyA1 ILE 102 HG12 -0.14 -0.02 -0.14 -0.04 1.49 1.15 1uwyA1 ILE 102 HG13 0.02 0.02 -0.24 -0.04 1.21 0.96 1uwyA1 ILE 102 HG23 0.18 -0.03 -0.19 -0.04 0.93 0.84 1uwyA1 ILE 102 HD13 -0.06 -0.01 -0.14 -0.04 0.88 0.64 1uwyA1 HIS 103 H 0.56 1.12 0.53 -0.55 8.41 10.08 1uwyA1 HIS 103 HA 0.28 0.18 1.01 -0.75 4.63 5.34 1uwyA1 HIS 103 HB2 0.44 -0.06 0.10 -0.04 3.26 3.70 1uwyA1 HIS 103 HB3 0.54 -0.08 -0.11 -0.04 3.20 3.51 1uwyA1 HIS 103 HD2 0.31 0.19 -0.04 -0.04 6.97 7.39 1uwyA1 HIS 103 HE1 0.29 0.00 -0.17 -0.04 7.75 7.83 1uwyA1 ILE 104 H 0.26 0.78 0.36 -0.55 8.25 9.11 1uwyA1 ILE 104 HA 0.32 0.14 1.14 -0.75 4.18 5.02 1uwyA1 ILE 104 HB 0.17 0.03 0.16 -0.04 1.89 2.21 1uwyA1 ILE 104 HG12 0.41 -0.02 -0.12 -0.04 1.49 1.71 1uwyA1 ILE 104 HG13 0.30 -0.01 -0.54 -0.04 1.21 0.91 1uwyA1 ILE 104 HG23 0.16 0.00 -0.12 -0.04 0.93 0.93 1uwyA1 ILE 104 HD13 0.20 0.02 -0.10 -0.04 0.88 0.96 1uwyA1 MET 105 H 0.19 0.69 0.25 -0.55 8.47 9.05 1uwyA1 MET 105 HA -0.00 0.34 0.96 -0.75 4.52 5.07 1uwyA1 MET 105 HB2 -0.15 0.03 -0.05 -0.04 2.15 1.94 1uwyA1 MET 105 HB3 0.07 -0.05 0.30 -0.04 2.03 2.31 1uwyA1 MET 105 HG2 -0.05 -0.20 -0.14 -0.04 2.63 2.21 1uwyA1 MET 105 HG3 -0.17 0.23 -0.10 -0.04 2.56 2.48 1uwyA1 MET 105 HE3 -0.51 0.01 -0.14 -0.04 2.10 1.43 1uwyA1 PRO 106 HA -0.01 0.05 0.38 -0.51 4.44 4.36 1uwyA1 PRO 106 HB2 -0.05 0.00 -0.03 -0.04 2.28 2.16 1uwyA1 PRO 106 HB3 -0.01 0.04 0.00 -0.04 2.02 2.01 1uwyA1 PRO 106 HG2 0.05 -0.07 0.03 -0.04 2.03 2.00 1uwyA1 PRO 106 HG3 0.04 0.06 -0.03 -0.04 2.03 2.06 1uwyA1 PRO 106 HD2 0.05 0.36 0.16 -0.04 3.68 4.21 1uwyA1 PRO 106 HD3 0.07 0.14 -0.12 -0.04 3.65 3.70 1uwyA1 SER 107 H -0.01 0.16 -0.30 -0.55 8.46 7.76 1uwyA1 SER 107 HA -0.05 0.32 0.61 -0.75 4.49 4.61 1uwyA1 SER 107 HB2 -0.12 0.12 -0.22 -0.04 3.95 3.68 1uwyA1 SER 107 HB3 -0.03 -0.02 -0.05 -0.04 3.93 3.80 1uwyA1 MET 108 H -0.03 0.58 0.04 -0.55 8.47 8.52 1uwyA1 MET 108 HA -0.05 0.08 0.32 -0.75 4.52 4.12 1uwyA1 MET 108 HB2 0.01 0.04 0.04 -0.04 2.15 2.20 1uwyA1 MET 108 HB3 -0.01 -0.05 -0.10 -0.04 2.03 1.83 1uwyA1 MET 108 HG2 0.04 -0.05 -0.19 -0.04 2.63 2.38 1uwyA1 MET 108 HG3 0.03 0.01 0.03 -0.04 2.56 2.59 1uwyA1 MET 108 HE3 0.30 0.01 -0.13 -0.04 2.10 2.24 1uwyA1 ASN 109 H 0.00 0.27 -0.68 -0.55 8.53 7.57 1uwyA1 ASN 109 HA 0.03 0.04 0.79 -0.75 4.76 4.86 1uwyA1 ASN 109 HB2 0.06 0.05 -0.04 -0.04 2.88 2.91 1uwyA1 ASN 109 HB3 0.06 0.22 0.05 -0.04 2.79 3.07 1uwyA1 ASN 109 HD21 0.10 0.28 -0.23 -0.04 7.03 7.14 1uwyA1 ASN 109 HD22 0.12 0.40 -0.03 -0.04 7.74 8.19 1uwyA1 PRO 110 HA 0.14 0.18 0.71 -0.51 4.44 4.96 1uwyA1 PRO 110 HB2 0.11 -0.03 0.03 -0.04 2.28 2.35 1uwyA1 PRO 110 HB3 0.06 0.19 0.07 -0.04 2.02 2.30 1uwyA1 PRO 110 HG2 0.04 -0.16 0.04 -0.04 2.03 1.91 1uwyA1 PRO 110 HG3 0.01 0.21 -0.07 -0.04 2.03 2.15 1uwyA1 PRO 110 HD2 0.01 0.02 0.02 -0.04 3.68 3.69 1uwyA1 PRO 110 HD3 0.00 0.56 -0.21 -0.04 3.65 3.96 1uwyA1 ASP 111 H 0.07 0.12 0.01 -0.55 8.40 8.05 1uwyA1 ASP 111 HA 0.09 0.13 0.38 -0.75 4.63 4.47 1uwyA1 ASP 111 HB2 0.13 -0.01 0.01 -0.04 2.71 2.80 1uwyA1 ASP 111 HB3 0.11 0.13 0.05 -0.04 2.70 2.96 1uwyA1 GLY 112 H 0.10 0.03 -0.37 -0.55 8.43 7.65 1uwyA1 GLY 112 HA2 0.08 0.18 0.37 -0.51 4.01 4.13 1uwyA1 GLY 112 HA3 0.10 -0.01 0.27 -0.51 4.01 3.86 1uwyA1 PHE 113 H 0.21 0.25 -0.20 -0.55 8.34 8.05 1uwyA1 PHE 113 HA -0.02 0.02 0.14 -0.75 4.62 4.01 1uwyA1 PHE 113 HB2 -0.06 0.17 0.12 -0.04 3.15 3.34 1uwyA1 PHE 113 HB3 -0.00 -0.03 0.19 -0.04 3.06 3.18 1uwyA1 PHE 113 HD2 -0.14 0.02 -0.08 -0.04 7.28 7.04 1uwyA1 PHE 113 HE2 -0.23 -0.12 -0.06 -0.04 7.38 6.93 1uwyA1 PHE 113 HZ -0.02 -0.09 -0.14 -0.04 7.32 7.02 1uwyA1 GLU 114 H 0.19 0.60 -0.07 -0.55 8.60 8.78 1uwyA1 GLU 114 HA -0.22 -0.02 0.36 -0.75 4.29 3.66 1uwyA1 GLU 114 HB2 0.06 0.04 0.07 -0.04 2.09 2.21 1uwyA1 GLU 114 HB3 0.05 -0.05 0.05 -0.04 1.99 2.00 1uwyA1 GLU 114 HG2 0.21 0.73 0.19 -0.04 2.34 3.43 1uwyA1 GLU 114 HG3 0.13 -0.10 -0.01 -0.04 2.34 2.31 1uwyA1 ALA 115 H 0.02 0.53 -0.30 -0.55 8.40 8.09 1uwyA1 ALA 115 HA 0.01 -0.05 0.25 -0.75 4.34 3.79 1uwyA1 ALA 115 HB3 0.04 0.02 0.01 -0.04 1.41 1.43 1uwyA1 VAL 116 H -0.09 0.33 -0.32 -0.55 8.24 7.61 1uwyA1 VAL 116 HA -0.03 -0.06 0.54 -0.75 4.13 3.83 1uwyA1 VAL 116 HB -0.00 -0.04 -0.06 -0.04 2.12 1.98 1uwyA1 VAL 116 HG13 0.04 -0.00 0.00 -0.04 0.97 0.97 1uwyA1 VAL 116 HG23 0.06 0.09 -0.08 -0.04 0.95 0.98 1uwyA1 LYS 117 H -0.05 0.00 0.26 -0.55 8.42 8.08 1uwyA1 LYS 117 HA -0.08 0.22 0.89 -0.75 4.32 4.60 1uwyA1 LYS 117 HB2 -0.03 -0.04 0.10 -0.04 1.87 1.86 1uwyA1 LYS 117 HB3 -0.03 -0.03 0.11 -0.04 1.79 1.80 1uwyA1 LYS 117 HG2 -0.03 0.11 0.02 -0.04 1.46 1.52 1uwyA1 LYS 117 HG3 -0.02 -0.06 0.01 -0.04 1.46 1.36 1uwyA1 LYS 117 HD2 -0.06 -0.02 -0.03 -0.04 1.69 1.54 1uwyA1 LYS 117 HD3 -0.06 0.29 -0.54 -0.04 1.68 1.33 1uwyA1 LYS 117 HE2 -0.03 0.03 -0.06 -0.04 2.99 2.90 1uwyA1 LYS 117 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.86 1uwyA1 LYS 118 H -0.06 -0.04 0.07 -0.55 8.42 7.84 1uwyA1 LYS 118 HA -0.07 0.21 0.87 -0.75 4.32 4.57 1uwyA1 LYS 118 HB2 -0.03 -0.07 0.22 -0.04 1.87 1.95 1uwyA1 LYS 118 HB3 -0.03 0.07 0.12 -0.04 1.79 1.91 1uwyA1 LYS 118 HG2 -0.03 0.08 -0.02 -0.04 1.46 1.46 1uwyA1 LYS 118 HG3 -0.03 -0.09 -0.15 -0.04 1.46 1.15 1uwyA1 LYS 118 HD2 -0.01 -0.03 0.04 -0.04 1.69 1.65 1uwyA1 LYS 118 HD3 -0.01 0.02 0.03 -0.04 1.68 1.68 1uwyA1 LYS 118 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 1uwyA1 LYS 118 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 1uwyA1 PRO 119 HA -0.47 -0.01 0.34 -0.51 4.44 3.80 1uwyA1 PRO 119 HB2 -0.45 0.11 -0.05 -0.04 2.28 1.85 1uwyA1 PRO 119 HB3 -1.10 0.02 0.04 -0.04 2.02 0.94 1uwyA1 PRO 119 HG2 -0.14 -0.01 0.03 -0.04 2.03 1.87 1uwyA1 PRO 119 HG3 -0.18 0.01 0.04 -0.04 2.03 1.85 1uwyA1 PRO 119 HD2 -0.12 0.12 0.26 -0.04 3.68 3.90 1uwyA1 PRO 119 HD3 -0.23 0.21 -0.15 -0.04 3.65 3.45 1uwyA1 ASP 120 H -0.06 0.21 0.17 -0.55 8.40 8.17 1uwyA1 ASP 120 HA 0.01 0.03 0.54 -0.75 4.63 4.47 1uwyA1 ASP 120 HB2 0.03 0.30 -0.17 -0.04 2.71 2.82 1uwyA1 ASP 120 HB3 0.06 0.15 -0.04 -0.04 2.70 2.83 1uwyA1 CYS 121 H 0.03 0.17 0.12 -0.55 8.50 8.27 1uwyA1 CYS 121 HA -0.06 -0.04 0.43 -0.75 4.58 4.16 1uwyA1 CYS 121 HB2 -0.31 0.04 0.10 -0.04 2.97 2.77 1uwyA1 CYS 121 HB3 -0.59 0.03 -0.00 -0.04 2.97 2.37 1uwyA1 TYR 122 H 0.15 0.01 -0.00 -0.55 8.29 7.90 1uwyA1 TYR 122 HA -0.20 0.31 1.16 -0.75 4.56 5.07 1uwyA1 TYR 122 HB2 -0.37 0.00 0.03 -0.04 3.06 2.68 1uwyA1 TYR 122 HB3 -0.58 0.08 0.09 -0.04 2.98 2.53 1uwyA1 TYR 122 HD2 -0.04 0.03 0.01 -0.04 7.15 7.12 1uwyA1 TYR 122 HE2 0.02 -0.01 -0.02 -0.04 6.85 6.79 1uwyA1 TYR 123 H 0.17 0.05 0.02 -0.55 8.29 7.98 1uwyA1 TYR 123 HA 0.07 0.23 0.77 -0.75 4.56 4.88 1uwyA1 TYR 123 HB2 0.05 -0.03 -0.05 -0.04 3.06 2.99 1uwyA1 TYR 123 HB3 0.04 0.03 0.07 -0.04 2.98 3.07 1uwyA1 TYR 123 HD2 0.05 -0.03 -0.03 -0.04 7.15 7.10 1uwyA1 TYR 123 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.78 1uwyA1 SER 124 H 0.17 0.33 0.16 -0.55 8.46 8.58 1uwyA1 SER 124 HA 0.08 0.12 0.41 -0.75 4.49 4.35 1uwyA1 SER 124 HB2 0.06 -0.08 0.16 -0.04 3.95 4.05 1uwyA1 SER 124 HB3 0.10 0.18 -0.32 -0.04 3.93 3.86 1uwyA1 ILE 125 H 0.03 0.13 0.14 -0.55 8.25 8.00 1uwyA1 ILE 125 HA 0.01 0.12 0.48 -0.75 4.18 4.04 1uwyA1 ILE 125 HB 0.01 -0.06 0.03 -0.04 1.89 1.82 1uwyA1 ILE 125 HG12 0.01 -0.05 0.03 -0.04 1.49 1.43 1uwyA1 ILE 125 HG13 -0.00 0.03 0.04 -0.04 1.21 1.24 1uwyA1 ILE 125 HG23 0.00 0.02 -0.15 -0.04 0.93 0.76 1uwyA1 ILE 125 HD13 -0.01 0.02 0.02 -0.04 0.88 0.87 1uwyA1 GLY 126 H 0.05 -0.08 -0.25 -0.55 8.43 7.59 1uwyA1 GLY 126 HA2 0.04 0.21 0.61 -0.51 4.01 4.36 1uwyA1 GLY 126 HA3 0.05 0.05 0.21 -0.51 4.01 3.81 1uwyA1 ARG 127 H 0.08 0.02 0.09 -0.55 8.46 8.09 1uwyA1 ARG 127 HA 0.09 -0.15 0.25 -0.75 4.34 3.77 1uwyA1 ARG 127 HB2 -0.00 -0.05 0.02 -0.04 1.90 1.83 1uwyA1 ARG 127 HB3 0.02 0.74 0.90 -0.04 1.80 3.42 1uwyA1 ARG 127 HG2 -0.05 0.08 0.00 -0.04 1.67 1.67 1uwyA1 ARG 127 HG3 -0.07 -0.02 -0.40 -0.04 1.67 1.14 1uwyA1 ARG 127 HD2 -0.44 -0.11 -0.03 -0.04 3.22 2.60 1uwyA1 ARG 127 HD3 -0.14 0.08 -0.01 -0.04 3.22 3.11 1uwyA1 GLU 128 H 0.03 0.31 -0.24 -0.55 8.60 8.15 1uwyA1 GLU 128 HA 0.08 0.10 0.47 -0.75 4.29 4.19 1uwyA1 GLU 128 HB2 0.01 0.04 -0.05 -0.04 2.09 2.05 1uwyA1 GLU 128 HB3 0.03 -0.15 -0.25 -0.04 1.99 1.58 1uwyA1 GLU 128 HG2 -0.02 0.24 -0.08 -0.04 2.34 2.45 1uwyA1 GLU 128 HG3 0.01 -0.08 -0.24 -0.04 2.34 1.98 1uwyA1 ASN 129 H 0.11 0.49 0.25 -0.55 8.53 8.84 1uwyA1 ASN 129 HA 0.10 0.05 0.59 -0.75 4.76 4.75 1uwyA1 ASN 129 HB2 0.08 -0.05 0.22 -0.04 2.88 3.09 1uwyA1 ASN 129 HB3 0.09 0.11 0.16 -0.04 2.79 3.11 1uwyA1 ASN 129 HD21 0.12 0.13 0.08 -0.04 7.03 7.31 1uwyA1 ASN 129 HD22 0.06 -0.05 0.14 -0.04 7.74 7.85 1uwyA1 TYR 130 H 0.19 0.03 0.16 -0.55 8.29 8.12 1uwyA1 TYR 130 HA 0.03 0.21 0.26 -0.75 4.56 4.30 1uwyA1 TYR 130 HB2 0.02 -0.07 0.09 -0.04 3.06 3.06 1uwyA1 TYR 130 HB3 0.02 -0.06 0.09 -0.04 2.98 2.99 1uwyA1 TYR 130 HD2 0.02 -0.02 -0.09 -0.04 7.15 7.01 1uwyA1 TYR 130 HE2 0.01 0.03 0.01 -0.04 6.85 6.85 1uwyA1 ASN 131 H 0.15 -0.06 -0.41 -0.55 8.53 7.66 1uwyA1 ASN 131 HA -0.08 0.27 0.75 -0.75 4.76 4.94 1uwyA1 ASN 131 HB2 0.38 -0.08 0.07 -0.04 2.88 3.20 1uwyA1 ASN 131 HB3 0.11 0.10 0.19 -0.04 2.79 3.15 1uwyA1 ASN 131 HD21 0.12 0.03 0.05 -0.04 7.03 7.19 1uwyA1 ASN 131 HD22 0.19 0.03 0.04 -0.04 7.74 7.97 1uwyA1 GLN 132 H -0.07 0.42 -0.49 -0.55 8.47 7.78 1uwyA1 GLN 132 HA -0.06 0.07 0.24 -0.75 4.36 3.85 1uwyA1 GLN 132 HB2 -0.22 0.17 0.05 -0.04 2.15 2.11 1uwyA1 GLN 132 HB3 -0.12 -0.02 0.13 -0.04 2.02 1.97 1uwyA1 GLN 132 HG2 -0.16 0.05 -0.09 -0.04 2.40 2.15 1uwyA1 GLN 132 HG3 -0.19 -0.03 -0.45 -0.04 2.39 1.68 1uwyA1 GLN 132 HE21 -0.10 -0.01 -0.01 -0.04 6.97 6.80 1uwyA1 GLN 132 HE22 -0.15 0.02 -0.02 -0.04 7.69 7.50 1uwyA1 TYR 133 H 0.17 -0.13 -0.52 -0.55 8.29 7.26 1uwyA1 TYR 133 HA -0.00 0.26 0.65 -0.75 4.56 4.72 1uwyA1 TYR 133 HB2 -0.00 -0.20 0.00 -0.04 3.06 2.82 1uwyA1 TYR 133 HB3 -0.00 0.06 -0.09 -0.04 2.98 2.91 1uwyA1 TYR 133 HD2 -0.00 -0.10 -0.01 -0.04 7.15 6.99 1uwyA1 TYR 133 HE2 -0.01 -0.01 0.04 -0.04 6.85 6.83 1uwyA1 ASP 134 H 0.18 0.28 0.12 -0.55 8.40 8.43 1uwyA1 ASP 134 HA 0.12 0.13 0.77 -0.75 4.63 4.90 1uwyA1 ASP 134 HB2 0.05 0.12 0.08 -0.04 2.71 2.93 1uwyA1 ASP 134 HB3 0.09 0.02 0.15 -0.04 2.70 2.92 1uwyA1 LEU 135 H 0.18 0.32 0.16 -0.55 8.37 8.48 1uwyA1 LEU 135 HA 0.07 0.07 0.36 -0.75 4.35 4.09 1uwyA1 LEU 135 HB2 0.15 0.23 0.13 -0.04 1.64 2.11 1uwyA1 LEU 135 HB3 0.13 -0.01 0.05 -0.04 1.64 1.77 1uwyA1 LEU 135 HG 0.08 -0.04 0.06 -0.04 1.64 1.70 1uwyA1 LEU 135 HD13 0.07 0.05 0.04 -0.04 0.93 1.05 1uwyA1 LEU 135 HD23 -0.03 -0.02 0.03 -0.04 0.89 0.84 1uwyA1 ASN 136 H 0.25 0.10 -0.49 -0.55 8.53 7.84 1uwyA1 ASN 136 HA 0.21 0.15 1.03 -0.75 4.76 5.39 1uwyA1 ASN 136 HB2 0.09 -0.03 -0.07 -0.04 2.88 2.83 1uwyA1 ASN 136 HB3 0.16 0.10 -0.02 -0.04 2.79 2.98 1uwyA1 ASN 136 HD21 -0.02 -0.08 0.00 -0.04 7.03 6.89 1uwyA1 ASN 136 HD22 -0.03 0.13 -0.01 -0.04 7.74 7.79 1uwyA1 ARG 137 H 0.14 0.42 -0.23 -0.55 8.46 8.23 1uwyA1 ARG 137 HA 0.09 0.38 0.73 -0.75 4.34 4.79 1uwyA1 ARG 137 HB2 0.08 -0.06 0.10 -0.04 1.90 1.98 1uwyA1 ARG 137 HB3 0.06 0.04 0.20 -0.04 1.80 2.07 1uwyA1 ARG 137 HG2 0.00 0.12 -0.16 -0.04 1.67 1.59 1uwyA1 ARG 137 HG3 0.05 -0.19 -0.19 -0.04 1.67 1.29 1uwyA1 ARG 137 HD2 -0.00 0.04 0.04 -0.04 3.22 3.26 1uwyA1 ARG 137 HD3 -0.05 -0.01 -0.02 -0.04 3.22 3.10 1uwyA1 ASN 138 H 0.16 -0.01 -0.12 -0.55 8.53 8.00 1uwyA1 ASN 138 HA -0.04 0.27 0.81 -0.75 4.76 5.05 1uwyA1 ASN 138 HB2 -0.07 0.03 -0.06 -0.04 2.88 2.74 1uwyA1 ASN 138 HB3 -0.13 -0.01 0.08 -0.04 2.79 2.70 1uwyA1 ASN 138 HD21 -0.31 -0.05 -0.21 -0.04 7.03 6.42 1uwyA1 ASN 138 HD22 -0.20 0.17 -0.01 -0.04 7.74 7.66 1uwyA1 PHE 139 H 0.28 0.41 -0.20 -0.55 8.34 8.27 1uwyA1 PHE 139 HA -0.23 0.19 0.82 -0.75 4.62 4.64 1uwyA1 PHE 139 HB2 -0.02 -0.08 -0.42 -0.04 3.15 2.59 1uwyA1 PHE 139 HB3 -0.34 0.09 -0.04 -0.04 3.06 2.73 1uwyA1 PHE 139 HD2 -0.64 0.03 -0.08 -0.04 7.28 6.56 1uwyA1 PHE 139 HE2 -0.10 0.10 0.01 -0.04 7.38 7.35 1uwyA1 PHE 139 HZ -0.02 -0.02 -0.02 -0.04 7.32 7.22 1uwyA1 PRO 140 HA -0.06 0.03 0.39 -0.51 4.44 4.30 1uwyA1 PRO 140 HB2 -0.90 -0.03 -0.06 -0.04 2.28 1.25 1uwyA1 PRO 140 HB3 -0.50 0.15 -0.02 -0.04 2.02 1.60 1uwyA1 PRO 140 HG2 -0.33 0.07 0.06 -0.04 2.03 1.78 1uwyA1 PRO 140 HG3 -0.24 0.08 0.05 -0.04 2.03 1.87 1uwyA1 PRO 140 HD2 -0.45 0.07 0.16 -0.04 3.68 3.42 1uwyA1 PRO 140 HD3 -0.30 0.18 0.13 -0.04 3.65 3.61 1uwyA1 ASP 141 H 0.13 0.13 0.04 -0.55 8.40 8.15 1uwyA1 ASP 141 HA 0.46 0.23 1.05 -0.75 4.63 5.61 1uwyA1 ASP 141 HB2 0.21 0.19 -0.07 -0.04 2.71 2.99 1uwyA1 ASP 141 HB3 0.18 0.04 0.03 -0.04 2.70 2.91 1uwyA1 ALA 142 H 0.15 0.25 -0.00 -0.55 8.40 8.25 1uwyA1 ALA 142 HA -0.01 0.06 0.21 -0.75 4.34 3.85 1uwyA1 ALA 142 HB3 -0.80 0.03 0.07 -0.04 1.41 0.67 1uwyA1 PHE 143 H 0.15 -0.06 -0.99 -0.55 8.34 6.89 1uwyA1 PHE 143 HA 0.02 0.19 1.01 -0.75 4.62 5.08 1uwyA1 PHE 143 HB2 0.02 -0.03 -0.10 -0.04 3.15 3.00 1uwyA1 PHE 143 HB3 -0.03 0.13 -0.13 -0.04 3.06 2.99 1uwyA1 PHE 143 HD2 -0.09 -0.00 -0.21 -0.04 7.28 6.93 1uwyA1 PHE 143 HE2 -0.60 -0.03 -0.09 -0.04 7.38 6.62 1uwyA1 PHE 143 HZ -1.68 0.05 -0.06 -0.04 7.32 5.58 1uwyA1 GLU 144 H 0.17 0.08 -0.08 -0.55 8.60 8.22 1uwyA1 GLU 144 HA 0.11 0.10 0.65 -0.75 4.29 4.40 1uwyA1 GLU 144 HB2 0.13 0.08 -0.02 -0.04 2.09 2.24 1uwyA1 GLU 144 HB3 0.13 0.12 -0.14 -0.04 1.99 2.06 1uwyA1 GLU 144 HG2 0.18 -0.18 -0.17 -0.04 2.34 2.13 1uwyA1 GLU 144 HG3 0.15 0.03 0.06 -0.04 2.34 2.54 1uwyA1 TYR 145 H 0.09 0.15 0.11 -0.55 8.29 8.09 1uwyA1 TYR 145 HA 0.08 -0.04 0.40 -0.75 4.56 4.25 1uwyA1 TYR 145 HB2 0.05 0.03 0.15 -0.04 3.06 3.26 1uwyA1 TYR 145 HB3 0.04 -0.07 0.06 -0.04 2.98 2.97 1uwyA1 TYR 145 HD2 0.04 -0.02 0.08 -0.04 7.15 7.21 1uwyA1 TYR 145 HE2 0.04 0.04 0.01 -0.04 6.85 6.90 1uwyA1 ASN 146 H 0.11 0.04 0.10 -0.55 8.53 8.24 1uwyA1 ASN 146 HA 0.11 0.26 0.83 -0.75 4.76 5.20 1uwyA1 ASN 146 HB2 0.12 -0.09 0.03 -0.04 2.88 2.89 1uwyA1 ASN 146 HB3 0.07 -0.05 0.07 -0.04 2.79 2.84 1uwyA1 ASN 146 HD21 0.06 0.51 0.13 -0.04 7.03 7.68 1uwyA1 ASN 146 HD22 0.06 0.31 -0.14 -0.04 7.74 7.93 1uwyA1 ASN 147 H 0.17 0.05 -0.55 -0.55 8.53 7.66 1uwyA1 ASN 147 HA 0.06 -0.00 0.37 -0.75 4.76 4.43 1uwyA1 ASN 147 HB2 0.03 0.01 0.02 -0.04 2.88 2.91 1uwyA1 ASN 147 HB3 0.09 -0.04 0.07 -0.04 2.79 2.87 1uwyA1 ASN 147 HD21 0.02 0.01 0.00 -0.04 7.03 7.02 1uwyA1 ASN 147 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 1uwyA1 VAL 148 H -0.01 0.26 0.34 -0.55 8.24 8.27 1uwyA1 VAL 148 HA 0.04 0.07 0.54 -0.75 4.13 4.01 1uwyA1 VAL 148 HB -0.00 -0.13 0.05 -0.04 2.12 2.00 1uwyA1 VAL 148 HG13 0.06 0.02 -0.32 -0.04 0.97 0.69 1uwyA1 VAL 148 HG23 -0.08 0.07 -0.16 -0.04 0.95 0.74 1uwyA1 SER 149 H -0.04 0.14 0.08 -0.55 8.46 8.09 1uwyA1 SER 149 HA -0.09 0.06 0.47 -0.75 4.49 4.17 1uwyA1 SER 149 HB2 0.06 0.01 0.12 -0.04 3.95 4.10 1uwyA1 SER 149 HB3 -0.29 -0.05 0.17 -0.04 3.93 3.73 1uwyA1 ARG 150 H -0.15 0.17 0.29 -0.55 8.46 8.22 1uwyA1 ARG 150 HA -0.28 0.10 0.43 -0.75 4.34 3.84 1uwyA1 ARG 150 HB2 -0.15 -0.03 0.18 -0.04 1.90 1.87 1uwyA1 ARG 150 HB3 -0.20 -0.04 -0.02 -0.04 1.80 1.49 1uwyA1 ARG 150 HG2 -0.17 -0.02 0.05 -0.04 1.67 1.49 1uwyA1 ARG 150 HG3 -0.29 0.00 0.05 -0.04 1.67 1.39 1uwyA1 ARG 150 HD2 -0.23 0.12 -0.03 -0.04 3.22 3.04 1uwyA1 ARG 150 HD3 -0.15 0.12 0.11 -0.04 3.22 3.26 1uwyA1 GLN 151 H -0.30 0.09 0.24 -0.55 8.47 7.95 1uwyA1 GLN 151 HA -0.14 0.29 0.77 -0.75 4.36 4.53 1uwyA1 GLN 151 HB2 -0.16 -0.17 0.12 -0.04 2.15 1.90 1uwyA1 GLN 151 HB3 -0.08 -0.08 0.15 -0.04 2.02 1.97 1uwyA1 GLN 151 HG2 -0.44 0.21 0.10 -0.04 2.40 2.23 1uwyA1 GLN 151 HG3 -0.17 -0.14 0.01 -0.04 2.39 2.06 1uwyA1 GLN 151 HE21 -0.34 -0.10 -0.03 -0.04 6.97 6.46 1uwyA1 GLN 151 HE22 -0.79 1.32 0.07 -0.04 7.69 8.25 1uwyA1 PRO 152 HA -0.07 0.13 0.39 -0.51 4.44 4.39 1uwyA1 PRO 152 HB2 -0.04 -0.17 0.12 -0.04 2.28 2.14 1uwyA1 PRO 152 HB3 -0.05 0.26 0.11 -0.04 2.02 2.30 1uwyA1 PRO 152 HG2 -0.01 -0.04 0.09 -0.04 2.03 2.03 1uwyA1 PRO 152 HG3 -0.03 0.15 0.14 -0.04 2.03 2.25 1uwyA1 PRO 152 HD2 -0.03 -0.05 0.22 -0.04 3.68 3.78 1uwyA1 PRO 152 HD3 -0.04 0.25 0.28 -0.04 3.65 4.10 1uwyA1 GLU 153 H -0.06 0.02 -0.13 -0.55 8.60 7.88 1uwyA1 GLU 153 HA -0.05 0.11 0.39 -0.75 4.29 3.98 1uwyA1 GLU 153 HB2 -0.03 -0.07 0.10 -0.04 2.09 2.04 1uwyA1 GLU 153 HB3 -0.01 0.17 0.09 -0.04 1.99 2.20 1uwyA1 GLU 153 HG2 -0.00 0.19 0.20 -0.04 2.34 2.69 1uwyA1 GLU 153 HG3 -0.04 0.01 0.02 -0.04 2.34 2.29 1uwyA1 THR 154 H -0.17 -0.02 -0.18 -0.55 8.28 7.36 1uwyA1 THR 154 HA -0.42 0.03 0.32 -0.75 4.39 3.56 1uwyA1 THR 154 HB -0.42 0.07 0.11 -0.04 4.32 4.04 1uwyA1 THR 154 HG23 -1.50 0.11 -0.09 -0.04 1.22 -0.30 1uwyA1 VAL 155 H -0.18 0.68 -0.19 -0.55 8.24 8.00 1uwyA1 VAL 155 HA -0.12 0.03 0.42 -0.75 4.13 3.71 1uwyA1 VAL 155 HB -0.12 0.03 -0.08 -0.04 2.12 1.90 1uwyA1 VAL 155 HG13 -0.05 0.08 0.02 -0.04 0.97 0.98 1uwyA1 VAL 155 HG23 -0.07 -0.00 -0.02 -0.04 0.95 0.82 1uwyA1 ALA 156 H -0.05 0.76 0.09 -0.55 8.40 8.65 1uwyA1 ALA 156 HA 0.02 0.07 0.41 -0.75 4.34 4.08 1uwyA1 ALA 156 HB3 -0.05 -0.00 0.03 -0.04 1.41 1.35 1uwyA1 VAL 157 H 0.08 0.55 -0.23 -0.55 8.24 8.09 1uwyA1 VAL 157 HA 0.49 -0.02 0.38 -0.75 4.13 4.22 1uwyA1 VAL 157 HB 0.29 0.14 0.10 -0.04 2.12 2.61 1uwyA1 VAL 157 HG13 0.41 -0.02 -0.13 -0.04 0.97 1.19 1uwyA1 VAL 157 HG23 0.20 0.02 0.01 -0.04 0.95 1.14 1uwyA1 MET 158 H 0.09 0.52 -0.02 -0.55 8.47 8.51 1uwyA1 MET 158 HA 0.35 -0.03 0.38 -0.75 4.52 4.48 1uwyA1 MET 158 HB2 0.02 0.05 0.23 -0.04 2.15 2.40 1uwyA1 MET 158 HB3 0.14 -0.02 0.02 -0.04 2.03 2.14 1uwyA1 MET 158 HG2 -0.23 -0.06 0.04 -0.04 2.63 2.33 1uwyA1 MET 158 HG3 -0.10 0.18 0.12 -0.04 2.56 2.72 1uwyA1 MET 158 HE3 -0.31 -0.01 0.02 -0.04 2.10 1.76 1uwyA1 LYS 159 H 0.12 0.57 -0.10 -0.55 8.42 8.46 1uwyA1 LYS 159 HA 0.11 0.03 0.41 -0.75 4.32 4.11 1uwyA1 LYS 159 HB2 0.07 -0.05 0.10 -0.04 1.87 1.95 1uwyA1 LYS 159 HB3 0.13 0.15 0.20 -0.04 1.79 2.23 1uwyA1 LYS 159 HG2 0.13 -0.01 -0.17 -0.04 1.46 1.38 1uwyA1 LYS 159 HG3 0.08 -0.02 0.03 -0.04 1.46 1.51 1uwyA1 LYS 159 HD2 0.07 0.04 0.03 -0.04 1.69 1.79 1uwyA1 LYS 159 HD3 0.07 -0.02 -0.01 -0.04 1.68 1.68 1uwyA1 LYS 159 HE2 0.04 -0.01 0.00 -0.04 2.99 2.98 1uwyA1 LYS 159 HE3 0.04 0.00 0.00 -0.04 2.99 2.99 1uwyA1 TRP 160 H 0.34 0.74 0.10 -0.55 7.97 8.60 1uwyA1 TRP 160 HA 0.13 -0.03 0.40 -0.75 4.62 4.37 1uwyA1 TRP 160 HB2 0.05 -0.01 0.12 -0.04 3.23 3.35 1uwyA1 TRP 160 HB3 0.06 0.05 0.18 -0.04 3.23 3.49 1uwyA1 TRP 160 HD1 0.25 0.00 0.01 -0.04 7.22 7.44 1uwyA1 TRP 160 HE1 0.43 0.01 -0.13 -0.04 10.20 10.47 1uwyA1 TRP 160 HE3 -0.02 -0.02 -0.05 -0.04 7.59 7.47 1uwyA1 TRP 160 HZ2 0.04 0.01 -0.19 -0.04 7.44 7.26 1uwyA1 TRP 160 HZ3 -0.10 -0.09 -0.11 -0.04 7.13 6.79 1uwyA1 TRP 160 HH2 -0.13 -0.04 -0.20 -0.04 7.19 6.77 1uwyA1 LEU 161 H 0.17 0.75 -0.31 -0.55 8.37 8.44 1uwyA1 LEU 161 HA -0.21 -0.06 0.37 -0.75 4.35 3.70 1uwyA1 LEU 161 HB2 0.14 0.13 0.13 -0.04 1.64 2.00 1uwyA1 LEU 161 HB3 0.07 0.04 -0.01 -0.04 1.64 1.70 1uwyA1 LEU 161 HG -0.15 0.06 0.08 -0.04 1.64 1.59 1uwyA1 LEU 161 HD13 -0.53 -0.04 -0.09 -0.04 0.93 0.23 1uwyA1 LEU 161 HD23 0.08 -0.04 -0.04 -0.04 0.89 0.84 1uwyA1 LYS 162 H 0.11 0.57 -0.60 -0.55 8.42 7.95 1uwyA1 LYS 162 HA 0.01 0.10 0.70 -0.75 4.32 4.38 1uwyA1 LYS 162 HB2 0.08 0.25 0.30 -0.04 1.87 2.46 1uwyA1 LYS 162 HB3 0.04 -0.13 0.07 -0.04 1.79 1.73 1uwyA1 LYS 162 HG2 0.04 -0.02 0.02 -0.04 1.46 1.46 1uwyA1 LYS 162 HG3 0.09 0.29 0.06 -0.04 1.46 1.86 1uwyA1 LYS 162 HD2 0.07 -0.10 -0.02 -0.04 1.69 1.59 1uwyA1 LYS 162 HD3 0.04 -0.04 0.01 -0.04 1.68 1.66 1uwyA1 LYS 162 HE2 0.06 -0.03 -0.09 -0.04 2.99 2.89 1uwyA1 LYS 162 HE3 0.03 -0.07 -0.04 -0.04 2.99 2.86 1uwyA1 THR 163 H 0.12 0.27 0.03 -0.55 8.28 8.15 1uwyA1 THR 163 HA 0.06 -0.01 0.37 -0.75 4.39 4.05 1uwyA1 THR 163 HB 0.20 -0.08 0.09 -0.04 4.32 4.49 1uwyA1 THR 163 HG23 0.27 -0.01 0.05 -0.04 1.22 1.49 1uwyA1 GLU 164 H -0.23 0.32 -0.40 -0.55 8.60 7.74 1uwyA1 GLU 164 HA -0.26 0.14 0.76 -0.75 4.29 4.18 1uwyA1 GLU 164 HB2 -0.64 -0.03 -0.27 -0.04 2.09 1.11 1uwyA1 GLU 164 HB3 -1.71 -0.04 -0.21 -0.04 1.99 -0.01 1uwyA1 GLU 164 HG2 -0.29 -0.01 -0.08 -0.04 2.34 1.92 1uwyA1 GLU 164 HG3 -0.18 -0.01 0.12 -0.04 2.34 2.23 1uwyA1 THR 165 H -0.43 0.10 0.04 -0.55 8.28 7.44 1uwyA1 THR 165 HA -0.25 0.29 0.69 -0.75 4.39 4.36 1uwyA1 THR 165 HB -0.34 -0.06 0.20 -0.04 4.32 4.07 1uwyA1 THR 165 HG23 -0.09 0.02 -0.02 -0.04 1.22 1.09 1uwyA1 PHE 166 H -0.34 0.51 -0.17 -0.55 8.34 7.78 1uwyA1 PHE 166 HA -0.27 -0.07 0.35 -0.75 4.62 3.87 1uwyA1 PHE 166 HB2 -0.29 0.12 0.04 -0.04 3.15 2.97 1uwyA1 PHE 166 HB3 -0.31 -0.07 -0.20 -0.04 3.06 2.44 1uwyA1 PHE 166 HD2 -0.40 0.11 -0.11 -0.04 7.28 6.83 1uwyA1 PHE 166 HE2 -1.08 0.13 -0.13 -0.04 7.38 6.26 1uwyA1 PHE 166 HZ -0.67 -0.04 -0.16 -0.04 7.32 6.42 1uwyA1 VAL 167 H -0.14 0.38 0.32 -0.55 8.24 8.25 1uwyA1 VAL 167 HA -0.18 0.25 0.89 -0.75 4.13 4.33 1uwyA1 VAL 167 HB -0.29 0.11 0.28 -0.04 2.12 2.19 1uwyA1 VAL 167 HG13 -0.26 0.01 -0.12 -0.04 0.97 0.56 1uwyA1 VAL 167 HG23 -0.69 0.03 0.07 -0.04 0.95 0.32 1uwyA1 LEU 168 H -0.16 0.36 0.33 -0.55 8.37 8.34 1uwyA1 LEU 168 HA -0.12 0.12 1.00 -0.75 4.35 4.60 1uwyA1 LEU 168 HB2 -0.19 0.03 -0.03 -0.04 1.64 1.41 1uwyA1 LEU 168 HB3 -0.04 -0.00 0.15 -0.04 1.64 1.70 1uwyA1 LEU 168 HG -0.17 -0.02 -0.25 -0.04 1.64 1.16 1uwyA1 LEU 168 HD13 -0.03 -0.07 0.14 -0.04 0.93 0.94 1uwyA1 LEU 168 HD23 -0.26 0.01 -0.15 -0.04 0.89 0.45 1uwyA1 SER 169 H -0.07 0.81 0.29 -0.55 8.46 8.95 1uwyA1 SER 169 HA -0.72 0.30 0.98 -0.75 4.49 4.30 1uwyA1 SER 169 HB2 -0.31 0.02 -0.32 -0.04 3.95 3.30 1uwyA1 SER 169 HB3 -0.10 -0.00 -0.23 -0.04 3.93 3.55 1uwyA1 ALA 170 H -0.09 0.08 0.05 -0.55 8.40 7.89 1uwyA1 ALA 170 HA 0.03 0.05 0.54 -0.75 4.34 4.21 1uwyA1 ALA 170 HB3 0.04 0.10 0.15 -0.04 1.41 1.66 1uwyA1 ASN 171 H 0.01 0.26 0.24 -0.55 8.53 8.50 1uwyA1 ASN 171 HA 0.02 0.48 1.05 -0.75 4.76 5.56 1uwyA1 ASN 171 HB2 -0.05 -0.03 -0.04 -0.04 2.88 2.71 1uwyA1 ASN 171 HB3 -0.01 -0.04 0.02 -0.04 2.79 2.72 1uwyA1 ASN 171 HD21 0.05 -0.07 -0.06 -0.04 7.03 6.91 1uwyA1 ASN 171 HD22 -0.00 0.02 -0.06 -0.04 7.74 7.66 1uwyA1 LEU 172 H -0.07 0.62 0.50 -0.55 8.37 8.87 1uwyA1 LEU 172 HA -0.09 0.15 0.76 -0.75 4.35 4.42 1uwyA1 LEU 172 HB2 -0.11 -0.16 0.19 -0.04 1.64 1.51 1uwyA1 LEU 172 HB3 -0.11 -0.01 0.12 -0.04 1.64 1.60 1uwyA1 LEU 172 HG -0.07 0.14 0.05 -0.04 1.64 1.72 1uwyA1 LEU 172 HD13 -0.18 0.01 -0.02 -0.04 0.93 0.69 1uwyA1 LEU 172 HD23 -0.15 -0.01 -0.18 -0.04 0.89 0.50 1uwyA1 HIS 173 H 0.01 0.86 0.52 -0.55 8.41 9.25 1uwyA1 HIS 173 HA -0.03 0.05 0.89 -0.75 4.63 4.79 1uwyA1 HIS 173 HB2 0.01 0.09 -0.08 -0.04 3.26 3.25 1uwyA1 HIS 173 HB3 0.07 0.05 0.02 -0.04 3.20 3.29 1uwyA1 HIS 173 HD2 -0.05 0.15 -0.19 -0.04 6.97 6.83 1uwyA1 HIS 173 HE1 -1.10 -0.08 -0.11 -0.04 7.75 6.42 1uwyA1 GLY 174 H 0.17 0.26 0.26 -0.55 8.43 8.58 1uwyA1 GLY 174 HA2 0.03 0.03 0.93 -0.51 4.01 4.49 1uwyA1 GLY 174 HA3 0.01 0.01 0.29 -0.51 4.01 3.81 1uwyA1 GLY 175 H 0.05 1.28 0.32 -0.55 8.43 9.53 1uwyA1 GLY 175 HA2 0.02 0.15 0.46 -0.51 4.01 4.14 1uwyA1 GLY 175 HA3 0.09 0.10 0.91 -0.51 4.01 4.60 1uwyA1 ALA 176 H 0.10 0.31 0.15 -0.55 8.40 8.41 1uwyA1 ALA 176 HA 0.12 0.10 0.49 -0.75 4.34 4.30 1uwyA1 ALA 176 HB3 0.22 0.03 -0.15 -0.04 1.41 1.47 1uwyA1 LEU 177 H 0.08 0.26 -0.09 -0.55 8.37 8.07 1uwyA1 LEU 177 HA 0.03 0.52 0.73 -0.75 4.35 4.87 1uwyA1 LEU 177 HB2 0.07 -0.18 -0.36 -0.04 1.64 1.12 1uwyA1 LEU 177 HB3 0.06 -0.01 0.08 -0.04 1.64 1.73 1uwyA1 LEU 177 HG 0.05 0.05 -0.15 -0.04 1.64 1.56 1uwyA1 LEU 177 HD13 0.09 -0.00 -0.19 -0.04 0.93 0.79 1uwyA1 LEU 177 HD23 0.06 -0.04 -0.26 -0.04 0.89 0.60 1uwyA1 VAL 178 H -0.10 0.36 0.17 -0.55 8.24 8.12 1uwyA1 VAL 178 HA -0.12 0.27 0.57 -0.75 4.13 4.09 1uwyA1 VAL 178 HB -0.22 0.06 -0.19 -0.04 2.12 1.72 1uwyA1 VAL 178 HG13 -0.94 -0.05 -0.32 -0.04 0.97 -0.39 1uwyA1 VAL 178 HG23 -0.87 0.03 -0.46 -0.04 0.95 -0.39 1uwyA1 ALA 179 H -0.21 0.83 0.30 -0.55 8.40 8.77 1uwyA1 ALA 179 HA -0.17 0.17 1.04 -0.75 4.34 4.63 1uwyA1 ALA 179 HB3 -0.09 -0.00 0.11 -0.04 1.41 1.39 1uwyA1 SER 180 H -0.11 0.53 0.23 -0.55 8.46 8.56 1uwyA1 SER 180 HA -0.15 0.32 0.76 -0.75 4.49 4.66 1uwyA1 SER 180 HB2 -0.10 -0.01 -0.12 -0.04 3.95 3.68 1uwyA1 SER 180 HB3 0.03 -0.14 0.05 -0.04 3.93 3.83 1uwyA1 TYR 181 H -0.15 0.56 0.34 -0.55 8.29 8.49 1uwyA1 TYR 181 HA -0.13 0.13 0.96 -0.75 4.56 4.76 1uwyA1 TYR 181 HB2 -0.14 0.01 0.11 -0.04 3.06 3.00 1uwyA1 TYR 181 HB3 0.03 0.04 -0.03 -0.04 2.98 2.98 1uwyA1 TYR 181 HD2 -0.14 0.07 -0.01 -0.04 7.15 7.04 1uwyA1 TYR 181 HE2 -0.02 -0.03 -0.11 -0.04 6.85 6.64 1uwyA1 PRO 182 HA -0.25 -0.04 0.39 -0.51 4.44 4.03 1uwyA1 PRO 182 HB2 -1.35 0.05 0.00 -0.04 2.28 0.94 1uwyA1 PRO 182 HB3 -0.57 -0.12 0.08 -0.04 2.02 1.38 1uwyA1 PRO 182 HG2 -0.69 0.18 0.03 -0.04 2.03 1.51 1uwyA1 PRO 182 HG3 -0.29 -0.13 -0.10 -0.04 2.03 1.47 1uwyA1 PRO 182 HD2 -1.44 0.14 0.23 -0.04 3.68 2.56 1uwyA1 PRO 182 HD3 -0.28 0.16 0.27 -0.04 3.65 3.75 1uwyA1 PHE 183 H 0.04 0.46 0.18 -0.55 8.34 8.46 1uwyA1 PHE 183 HA -0.12 0.01 0.37 -0.75 4.62 4.12 1uwyA1 PHE 183 HB2 -0.15 0.14 0.11 -0.04 3.15 3.21 1uwyA1 PHE 183 HB3 0.10 -0.15 0.15 -0.04 3.06 3.12 1uwyA1 PHE 183 HD2 0.06 -0.03 -0.19 -0.04 7.28 7.08 1uwyA1 PHE 183 HE2 0.19 0.15 -0.02 -0.04 7.38 7.66 1uwyA1 PHE 183 HZ 0.42 0.04 0.02 -0.04 7.32 7.76 1uwyA1 ASP 184 H 0.17 0.11 0.15 -0.55 8.40 8.27 1uwyA1 ASP 184 HA 0.06 0.09 0.61 -0.75 4.63 4.63 1uwyA1 ASP 184 HB2 0.08 -0.05 0.09 -0.04 2.71 2.80 1uwyA1 ASP 184 HB3 0.01 0.09 0.13 -0.04 2.70 2.90 1uwyA1 ASN 185 H 0.06 0.05 -0.09 -0.55 8.53 8.01 1uwyA1 ASN 185 HA 0.07 0.16 0.69 -0.75 4.76 4.92 1uwyA1 ASN 185 HB2 0.11 0.30 -0.13 -0.04 2.88 3.12 1uwyA1 ASN 185 HB3 -0.04 -0.10 -0.07 -0.04 2.79 2.54 1uwyA1 ASN 185 HD21 0.13 0.09 -0.11 -0.04 7.03 7.10 1uwyA1 ASN 185 HD22 0.26 -0.16 -0.05 -0.04 7.74 7.75 1uwyA1 GLY 186 H -0.55 0.25 0.05 -0.55 8.43 7.63 1uwyA1 GLY 186 HA2 -1.44 0.17 0.61 -0.51 4.01 2.84 1uwyA1 GLY 186 HA3 -1.11 0.04 0.15 -0.51 4.01 2.58 1uwyA1 VAL 187 H -0.46 0.32 0.18 -0.55 8.24 7.73 1uwyA1 VAL 187 HA -0.14 0.22 0.73 -0.75 4.13 4.18 1uwyA1 VAL 187 HB -0.09 0.00 -0.03 -0.04 2.12 1.97 1uwyA1 VAL 187 HG13 0.01 -0.07 0.05 -0.04 0.97 0.92 1uwyA1 VAL 187 HG23 0.07 0.03 -0.26 -0.04 0.95 0.75 1uwyA1 GLN 188 H -0.04 0.32 0.18 -0.55 8.47 8.39 1uwyA1 GLN 188 HA -0.01 -0.17 0.48 -0.75 4.36 3.90 1uwyA1 GLN 188 HB2 0.00 0.05 0.20 -0.04 2.15 2.36 1uwyA1 GLN 188 HB3 0.01 0.12 0.09 -0.04 2.02 2.19 1uwyA1 GLN 188 HG2 0.02 -0.13 0.13 -0.04 2.40 2.38 1uwyA1 GLN 188 HG3 0.01 0.08 0.05 -0.04 2.39 2.49 1uwyA1 GLN 188 HE21 0.06 0.07 -0.02 -0.04 6.97 7.04 1uwyA1 GLN 188 HE22 0.05 -0.01 0.01 -0.04 7.69 7.70 1uwyA1 ALA 189 H -0.02 0.11 -0.25 -0.55 8.40 7.69 1uwyA1 ALA 189 HA 0.01 0.11 0.39 -0.75 4.34 4.10 1uwyA1 ALA 189 HB3 0.02 0.04 0.07 -0.04 1.41 1.50 1uwyA1 THR 190 H -0.11 0.39 -0.23 -0.55 8.28 7.78 1uwyA1 THR 190 HA -0.05 0.24 0.78 -0.75 4.39 4.60 1uwyA1 THR 190 HB -0.30 -0.20 0.15 -0.04 4.32 3.93 1uwyA1 THR 190 HG23 -0.08 0.06 0.17 -0.04 1.22 1.33 1uwyA1 GLY 191 H -0.04 0.13 -0.21 -0.55 8.43 7.77 1uwyA1 GLY 191 HA2 0.13 0.04 0.36 -0.51 4.01 4.03 1uwyA1 GLY 191 HA3 0.08 0.18 0.70 -0.51 4.01 4.46 1uwyA1 ALA 192 H -0.07 0.09 -0.19 -0.55 8.40 7.68 1uwyA1 ALA 192 HA -0.05 0.10 0.20 -0.75 4.34 3.84 1uwyA1 ALA 192 HB3 -0.05 -0.01 -0.21 -0.04 1.41 1.10 1uwyA1 LEU 193 H 0.04 0.06 -0.29 -0.55 8.37 7.63 1uwyA1 LEU 193 HA -0.03 0.15 0.45 -0.75 4.35 4.17 1uwyA1 LEU 193 HB2 -0.09 0.01 0.02 -0.04 1.64 1.54 1uwyA1 LEU 193 HB3 -0.22 0.07 0.07 -0.04 1.64 1.52 1uwyA1 LEU 193 HG -0.05 0.05 0.02 -0.04 1.64 1.62 1uwyA1 LEU 193 HD13 -0.03 0.02 -0.06 -0.04 0.93 0.82 1uwyA1 LEU 193 HD23 0.00 -0.04 0.03 -0.04 0.89 0.85 1uwyA1 TYR 194 H 0.19 0.39 -0.47 -0.55 8.29 7.84 1uwyA1 TYR 194 HA 0.03 0.18 0.76 -0.75 4.56 4.77 1uwyA1 TYR 194 HB2 0.03 0.13 0.04 -0.04 3.06 3.22 1uwyA1 TYR 194 HB3 0.04 0.01 0.06 -0.04 2.98 3.05 1uwyA1 TYR 194 HD2 0.02 -0.03 -0.03 -0.04 7.15 7.08 1uwyA1 TYR 194 HE2 0.01 -0.01 -0.04 -0.04 6.85 6.77 1uwyA1 SER 195 H 0.15 0.18 -0.51 -0.55 8.46 7.73 1uwyA1 SER 195 HA 0.18 0.04 0.16 -0.75 4.49 4.12 1uwyA1 SER 195 HB2 0.08 0.27 0.10 -0.04 3.95 4.36 1uwyA1 SER 195 HB3 0.03 0.01 0.08 -0.04 3.93 4.01 1uwyA1 ARG 196 H 0.23 0.41 -0.10 -0.55 8.46 8.45 1uwyA1 ARG 196 HA 0.15 -0.08 0.44 -0.75 4.34 4.10 1uwyA1 ARG 196 HB2 0.08 -0.05 -0.01 -0.04 1.90 1.88 1uwyA1 ARG 196 HB3 0.13 0.17 -0.48 -0.04 1.80 1.58 1uwyA1 ARG 196 HG2 0.11 0.03 0.01 -0.04 1.67 1.78 1uwyA1 ARG 196 HG3 0.04 -0.02 -0.34 -0.04 1.67 1.31 1uwyA1 ARG 196 HD2 -0.01 -0.00 -0.05 -0.04 3.22 3.12 1uwyA1 ARG 196 HD3 0.05 -0.01 -0.08 -0.04 3.22 3.14 1uwyA1 SER 197 H 0.03 0.13 -0.05 -0.55 8.46 8.02 1uwyA1 SER 197 HA -0.16 0.24 0.68 -0.75 4.49 4.50 1uwyA1 SER 197 HB2 -0.70 -0.09 -0.34 -0.04 3.95 2.77 1uwyA1 SER 197 HB3 -0.10 0.01 0.05 -0.04 3.93 3.84 1uwyA1 LEU 198 H 0.03 0.44 0.14 -0.55 8.37 8.43 1uwyA1 LEU 198 HA 0.07 0.18 1.05 -0.75 4.35 4.89 1uwyA1 LEU 198 HB2 0.06 0.09 0.10 -0.04 1.64 1.85 1uwyA1 LEU 198 HB3 0.09 0.03 0.09 -0.04 1.64 1.81 1uwyA1 LEU 198 HG 0.04 0.03 -0.16 -0.04 1.64 1.52 1uwyA1 LEU 198 HD13 0.07 0.01 -0.03 -0.04 0.93 0.93 1uwyA1 LEU 198 HD23 0.09 0.02 -0.21 -0.04 0.89 0.75 1uwyA1 THR 199 H 0.01 0.11 0.15 -0.55 8.28 7.99 1uwyA1 THR 199 HA 0.36 0.22 0.71 -0.75 4.39 4.92 1uwyA1 THR 199 HB -0.01 -0.02 0.04 -0.04 4.32 4.29 1uwyA1 THR 199 HG23 -1.54 0.02 -0.14 -0.04 1.22 -0.48 1uwyA1 PRO 200 HA 0.09 0.14 0.47 -0.51 4.44 4.62 1uwyA1 PRO 200 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 1uwyA1 PRO 200 HB3 -0.08 0.08 0.03 -0.04 2.02 2.01 1uwyA1 PRO 200 HG2 0.00 0.08 0.02 -0.04 2.03 2.10 1uwyA1 PRO 200 HG3 0.12 0.11 0.06 -0.04 2.03 2.27 1uwyA1 PRO 200 HD2 0.48 0.09 0.19 -0.04 3.68 4.40 1uwyA1 PRO 200 HD3 0.48 0.13 0.20 -0.04 3.65 4.42 1uwyA1 ASP 201 H 0.20 0.11 -0.35 -0.55 8.40 7.82 1uwyA1 ASP 201 HA 0.13 0.20 0.82 -0.75 4.63 5.03 1uwyA1 ASP 201 HB2 0.07 0.01 0.15 -0.04 2.71 2.90 1uwyA1 ASP 201 HB3 0.20 -0.02 0.15 -0.04 2.70 2.98 1uwyA1 ASP 202 H 0.12 0.47 -0.24 -0.55 8.40 8.19 1uwyA1 ASP 202 HA 0.19 0.06 0.41 -0.75 4.63 4.53 1uwyA1 ASP 202 HB2 0.12 0.13 0.15 -0.04 2.71 3.06 1uwyA1 ASP 202 HB3 0.10 0.05 0.05 -0.04 2.70 2.86 1uwyA1 ASP 203 H 0.09 0.13 -0.24 -0.55 8.40 7.83 1uwyA1 ASP 203 HA 0.06 0.12 0.45 -0.75 4.63 4.51 1uwyA1 ASP 203 HB2 0.06 0.06 -0.02 -0.04 2.71 2.77 1uwyA1 ASP 203 HB3 0.06 0.05 0.06 -0.04 2.70 2.83 1uwyA1 VAL 204 H 0.07 0.11 -0.16 -0.55 8.24 7.71 1uwyA1 VAL 204 HA 0.01 0.09 0.38 -0.75 4.13 3.85 1uwyA1 VAL 204 HB -0.01 -0.03 -0.02 -0.04 2.12 2.02 1uwyA1 VAL 204 HG13 0.13 0.03 0.02 -0.04 0.97 1.11 1uwyA1 VAL 204 HG23 -0.12 0.02 -0.20 -0.04 0.95 0.62 1uwyA1 PHE 205 H 0.08 0.49 -0.18 -0.55 8.34 8.18 1uwyA1 PHE 205 HA 0.05 0.06 0.29 -0.75 4.62 4.26 1uwyA1 PHE 205 HB2 -0.13 0.03 0.13 -0.04 3.15 3.14 1uwyA1 PHE 205 HB3 -0.13 -0.04 -0.02 -0.04 3.06 2.82 1uwyA1 PHE 205 HD2 -0.16 -0.00 -0.07 -0.04 7.28 7.01 1uwyA1 PHE 205 HE2 -0.98 0.01 -0.09 -0.04 7.38 6.28 1uwyA1 PHE 205 HZ -1.08 0.02 0.03 -0.04 7.32 6.25 1uwyA1 GLN 206 H -0.13 0.62 -0.21 -0.55 8.47 8.20 1uwyA1 GLN 206 HA -0.66 -0.02 0.43 -0.75 4.36 3.36 1uwyA1 GLN 206 HB2 -0.02 0.07 0.22 -0.04 2.15 2.38 1uwyA1 GLN 206 HB3 0.05 -0.04 -0.02 -0.04 2.02 1.98 1uwyA1 GLN 206 HG2 -0.53 -0.08 0.01 -0.04 2.40 1.76 1uwyA1 GLN 206 HG3 -0.17 0.21 0.09 -0.04 2.39 2.48 1uwyA1 GLN 206 HE21 0.11 -0.01 -0.05 -0.04 6.97 6.98 1uwyA1 GLN 206 HE22 0.12 -0.03 -0.08 -0.04 7.69 7.65 1uwyA1 TYR 207 H 0.16 0.75 -0.04 -0.55 8.29 8.61 1uwyA1 TYR 207 HA 0.09 -0.03 0.36 -0.75 4.56 4.23 1uwyA1 TYR 207 HB2 0.03 -0.05 0.10 -0.04 3.06 3.09 1uwyA1 TYR 207 HB3 0.01 0.09 0.18 -0.04 2.98 3.23 1uwyA1 TYR 207 HD2 0.01 0.03 -0.17 -0.04 7.15 6.98 1uwyA1 TYR 207 HE2 0.00 0.02 -0.06 -0.04 6.85 6.77 1uwyA1 LEU 208 H 0.22 0.62 -0.32 -0.55 8.37 8.34 1uwyA1 LEU 208 HA 0.18 0.04 0.37 -0.75 4.35 4.18 1uwyA1 LEU 208 HB2 0.23 0.09 0.10 -0.04 1.64 2.01 1uwyA1 LEU 208 HB3 0.36 -0.05 -0.07 -0.04 1.64 1.84 1uwyA1 LEU 208 HG 0.10 0.18 -0.12 -0.04 1.64 1.75 1uwyA1 LEU 208 HD13 0.03 -0.02 -0.11 -0.04 0.93 0.79 1uwyA1 LEU 208 HD23 0.10 -0.00 -0.06 -0.04 0.89 0.88 1uwyA1 ALA 209 H 0.04 0.58 -0.07 -0.55 8.40 8.41 1uwyA1 ALA 209 HA 0.09 -0.02 0.41 -0.75 4.34 4.07 1uwyA1 ALA 209 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 1uwyA1 HIS 210 H 0.01 0.60 -0.09 -0.55 8.41 8.39 1uwyA1 HIS 210 HA 0.01 0.02 0.33 -0.75 4.63 4.23 1uwyA1 HIS 210 HB2 -0.09 0.14 0.09 -0.04 3.26 3.37 1uwyA1 HIS 210 HB3 -0.07 -0.04 -0.06 -0.04 3.20 2.99 1uwyA1 HIS 210 HD2 -0.02 -0.00 -0.15 -0.04 6.97 6.76 1uwyA1 HIS 210 HE1 0.03 0.02 -0.02 -0.04 7.75 7.72 1uwyA1 THR 211 H -0.02 0.47 -0.35 -0.55 8.28 7.83 1uwyA1 THR 211 HA -0.11 -0.03 0.27 -0.75 4.39 3.77 1uwyA1 THR 211 HB 0.12 0.13 0.13 -0.04 4.32 4.66 1uwyA1 THR 211 HG23 0.05 0.00 -0.30 -0.04 1.22 0.93 1uwyA1 TYR 212 H 0.28 0.39 -0.23 -0.55 8.29 8.18 1uwyA1 TYR 212 HA 0.07 0.06 0.28 -0.75 4.56 4.22 1uwyA1 TYR 212 HB2 0.08 0.04 0.05 -0.04 3.06 3.18 1uwyA1 TYR 212 HB3 -0.02 0.05 0.07 -0.04 2.98 3.04 1uwyA1 TYR 212 HD2 -0.05 0.07 -0.38 -0.04 7.15 6.76 1uwyA1 TYR 212 HE2 -0.06 -0.03 -0.20 -0.04 6.85 6.51 1uwyA1 ALA 213 H 0.17 0.61 -0.05 -0.55 8.40 8.58 1uwyA1 ALA 213 HA 0.15 -0.06 0.37 -0.75 4.34 4.04 1uwyA1 ALA 213 HB3 0.04 0.01 -0.04 -0.04 1.41 1.38 1uwyA1 SER 214 H 0.05 0.72 -0.16 -0.55 8.46 8.52 1uwyA1 SER 214 HA 0.03 -0.03 0.30 -0.75 4.49 4.03 1uwyA1 SER 214 HB2 -0.00 -0.14 0.05 -0.04 3.95 3.82 1uwyA1 SER 214 HB3 0.04 0.12 0.11 -0.04 3.93 4.15 1uwyA1 ARG 215 H -0.07 0.35 -0.69 -0.55 8.46 7.50 1uwyA1 ARG 215 HA -0.08 0.07 0.59 -0.75 4.34 4.17 1uwyA1 ARG 215 HB2 -0.19 0.25 0.00 -0.04 1.90 1.92 1uwyA1 ARG 215 HB3 -0.20 -0.18 -0.10 -0.04 1.80 1.27 1uwyA1 ARG 215 HG2 -0.10 -0.05 -0.18 -0.04 1.67 1.30 1uwyA1 ARG 215 HG3 -0.08 -0.06 -0.06 -0.04 1.67 1.43 1uwyA1 ARG 215 HD2 -0.05 -0.06 -0.21 -0.04 3.22 2.85 1uwyA1 ARG 215 HD3 -0.07 0.27 -0.04 -0.04 3.22 3.34 1uwyA1 ASN 216 H -0.05 0.84 -0.28 -0.55 8.53 8.49 1uwyA1 ASN 216 HA -0.09 0.31 1.00 -0.75 4.76 5.23 1uwyA1 ASN 216 HB2 -0.04 0.09 0.06 -0.04 2.88 2.95 1uwyA1 ASN 216 HB3 0.03 -0.08 0.22 -0.04 2.79 2.93 1uwyA1 ASN 216 HD21 0.10 -0.05 0.00 -0.04 7.03 7.05 1uwyA1 ASN 216 HD22 0.21 -0.01 -0.00 -0.04 7.74 7.89 1uwyA1 PRO 217 HA -0.03 0.12 0.34 -0.51 4.44 4.36 1uwyA1 PRO 217 HB2 -0.04 -0.06 0.08 -0.04 2.28 2.22 1uwyA1 PRO 217 HB3 -0.04 0.02 0.07 -0.04 2.02 2.03 1uwyA1 PRO 217 HG2 -0.07 0.01 0.08 -0.04 2.03 2.01 1uwyA1 PRO 217 HG3 -0.06 0.08 0.05 -0.04 2.03 2.06 1uwyA1 PRO 217 HD2 -0.07 0.06 0.29 -0.04 3.68 3.92 1uwyA1 PRO 217 HD3 -0.09 0.46 0.18 -0.04 3.65 4.17 1uwyA1 ASN 218 H -0.01 0.13 -0.21 -0.55 8.53 7.89 1uwyA1 ASN 218 HA 0.00 0.16 0.65 -0.75 4.76 4.81 1uwyA1 ASN 218 HB2 0.02 0.03 0.04 -0.04 2.88 2.93 1uwyA1 ASN 218 HB3 0.02 -0.01 -0.02 -0.04 2.79 2.74 1uwyA1 ASN 218 HD21 -0.06 0.00 -0.01 -0.04 7.03 6.92 1uwyA1 ASN 218 HD22 -0.02 0.01 -0.00 -0.04 7.74 7.69 1uwyA1 MET 219 H 0.03 0.11 -0.12 -0.55 8.47 7.94 1uwyA1 MET 219 HA 0.04 0.05 0.28 -0.75 4.52 4.13 1uwyA1 MET 219 HB2 0.07 -0.07 0.03 -0.04 2.15 2.15 1uwyA1 MET 219 HB3 0.06 0.18 0.09 -0.04 2.03 2.32 1uwyA1 MET 219 HG2 0.03 0.09 -0.10 -0.04 2.63 2.61 1uwyA1 MET 219 HG3 0.02 -0.01 -0.19 -0.04 2.56 2.33 1uwyA1 MET 219 HE3 -0.00 -0.06 -0.24 -0.04 2.10 1.75 1uwyA1 LYS 220 H 0.02 0.48 -0.50 -0.55 8.42 7.86 1uwyA1 LYS 220 HA 0.03 0.11 0.18 -0.75 4.32 3.88 1uwyA1 LYS 220 HB2 0.01 0.23 -0.08 -0.04 1.87 1.99 1uwyA1 LYS 220 HB3 0.00 0.06 -0.06 -0.04 1.79 1.75 1uwyA1 LYS 220 HG2 0.02 -0.08 -0.19 -0.04 1.46 1.17 1uwyA1 LYS 220 HG3 0.03 -0.06 -0.01 -0.04 1.46 1.39 1uwyA1 LYS 220 HD2 0.01 -0.11 -0.02 -0.04 1.69 1.52 1uwyA1 LYS 220 HD3 0.00 0.21 0.02 -0.04 1.68 1.87 1uwyA1 LYS 220 HE2 -0.01 0.06 -0.09 -0.04 2.99 2.92 1uwyA1 LYS 220 HE3 -0.01 -0.09 -0.05 -0.04 2.99 2.80 1uwyA1 LYS 221 H 0.01 0.25 -0.41 -0.55 8.42 7.73 1uwyA1 LYS 221 HA 0.01 0.01 0.37 -0.75 4.32 3.96 1uwyA1 LYS 221 HB2 0.01 0.24 0.06 -0.04 1.87 2.14 1uwyA1 LYS 221 HB3 0.01 -0.03 -0.11 -0.04 1.79 1.61 1uwyA1 LYS 221 HG2 -0.00 -0.06 0.08 -0.04 1.46 1.44 1uwyA1 LYS 221 HG3 -0.00 0.26 0.19 -0.04 1.46 1.87 1uwyA1 LYS 221 HD2 -0.00 0.01 0.03 -0.04 1.69 1.69 1uwyA1 LYS 221 HD3 -0.01 -0.07 0.00 -0.04 1.68 1.57 1uwyA1 LYS 221 HE2 0.00 -0.14 0.11 -0.04 2.99 2.92 1uwyA1 LYS 221 HE3 0.01 0.06 -0.04 -0.04 2.99 2.98 1uwyA1 GLY 222 H 0.03 0.31 -0.42 -0.55 8.43 7.80 1uwyA1 GLY 222 HA2 0.05 0.08 0.50 -0.51 4.01 4.12 1uwyA1 GLY 222 HA3 0.02 0.01 0.55 -0.51 4.01 4.08 1uwyA1 ASP 223 H 0.00 0.63 -0.50 -0.55 8.40 7.99 1uwyA1 ASP 223 HA -0.03 0.07 0.65 -0.75 4.63 4.58 1uwyA1 ASP 223 HB2 -0.00 0.04 0.18 -0.04 2.71 2.89 1uwyA1 ASP 223 HB3 -0.01 -0.03 0.06 -0.04 2.70 2.68 1uwyA1 GLU 224 H -0.01 0.17 -0.10 -0.55 8.60 8.11 1uwyA1 GLU 224 HA 0.01 0.25 0.99 -0.75 4.29 4.78 1uwyA1 GLU 224 HB2 0.02 0.06 -0.29 -0.04 2.09 1.83 1uwyA1 GLU 224 HB3 0.03 -0.05 -0.11 -0.04 1.99 1.82 1uwyA1 GLU 224 HG2 0.01 0.06 0.01 -0.04 2.34 2.38 1uwyA1 GLU 224 HG3 0.03 -0.01 -0.11 -0.04 2.34 2.20 1uwyA1 CYS 225 H 0.01 0.16 0.05 -0.55 8.50 8.18 1uwyA1 CYS 225 HA 0.04 0.05 0.77 -0.75 4.58 4.69 1uwyA1 CYS 225 HB2 0.04 0.19 0.01 -0.04 2.97 3.16 1uwyA1 CYS 225 HB3 0.06 -0.04 -0.10 -0.04 2.97 2.85 1uwyA1 LYS 226 H 0.05 0.06 0.12 -0.55 8.42 8.11 1uwyA1 LYS 226 HA 0.03 0.17 0.37 -0.75 4.32 4.14 1uwyA1 LYS 226 HB2 0.08 -0.11 0.21 -0.04 1.87 2.01 1uwyA1 LYS 226 HB3 0.07 0.04 0.07 -0.04 1.79 1.93 1uwyA1 LYS 226 HG2 0.03 0.04 0.00 -0.04 1.46 1.49 1uwyA1 LYS 226 HG3 0.03 0.07 -0.00 -0.04 1.46 1.52 1uwyA1 LYS 226 HD2 0.06 -0.02 0.03 -0.04 1.69 1.71 1uwyA1 LYS 226 HD3 0.03 0.03 0.01 -0.04 1.68 1.72 1uwyA1 LYS 226 HE2 0.06 -0.09 0.08 -0.04 2.99 3.00 1uwyA1 LYS 226 HE3 0.05 -0.02 0.03 -0.04 2.99 3.00 1uwyA1 ASN 227 H 0.15 0.04 0.07 -0.55 8.53 8.24 1uwyA1 ASN 227 HA 0.06 0.11 0.32 -0.75 4.76 4.50 1uwyA1 ASN 227 HB2 0.41 -0.03 0.05 -0.04 2.88 3.28 1uwyA1 ASN 227 HB3 0.05 0.04 0.15 -0.04 2.79 2.99 1uwyA1 ASN 227 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.97 1uwyA1 ASN 227 HD22 -0.04 0.05 0.04 -0.04 7.74 7.74 1uwyA1 LYS 228 H 0.08 0.02 -1.41 -0.55 8.42 6.55 1uwyA1 LYS 228 HA 0.10 0.21 1.06 -0.75 4.32 4.94 1uwyA1 LYS 228 HB2 0.09 -0.21 -0.13 -0.04 1.87 1.58 1uwyA1 LYS 228 HB3 0.11 0.16 0.07 -0.04 1.79 2.09 1uwyA1 LYS 228 HG2 0.17 0.25 0.16 -0.04 1.46 1.99 1uwyA1 LYS 228 HG3 0.16 0.00 0.02 -0.04 1.46 1.60 1uwyA1 LYS 228 HD2 0.19 -0.24 -0.49 -0.04 1.69 1.10 1uwyA1 LYS 228 HD3 0.10 -0.11 -0.11 -0.04 1.68 1.51 1uwyA1 LYS 228 HE2 0.15 -0.15 -0.02 -0.04 2.99 2.93 1uwyA1 LYS 228 HE3 0.10 0.30 0.15 -0.04 2.99 3.50 1uwyA1 MET 229 H 0.10 0.07 0.15 -0.55 8.47 8.25 1uwyA1 MET 229 HA -0.09 0.11 0.63 -0.75 4.52 4.42 1uwyA1 MET 229 HB2 0.02 0.00 0.11 -0.04 2.15 2.24 1uwyA1 MET 229 HB3 0.09 -0.05 0.08 -0.04 2.03 2.11 1uwyA1 MET 229 HG2 -0.92 -0.01 -0.30 -0.04 2.63 1.36 1uwyA1 MET 229 HG3 -0.32 -0.09 0.17 -0.04 2.56 2.28 1uwyA1 MET 229 HE3 -0.14 0.01 0.02 -0.04 2.10 1.95 1uwyA1 ASN 230 H -0.35 0.18 0.23 -0.55 8.53 8.05 1uwyA1 ASN 230 HA -0.52 0.10 0.95 -0.75 4.76 4.54 1uwyA1 ASN 230 HB2 -0.15 -0.07 0.13 -0.04 2.88 2.74 1uwyA1 ASN 230 HB3 -0.12 0.82 0.39 -0.04 2.79 3.83 1uwyA1 ASN 230 HD21 -0.02 0.08 -0.01 -0.04 7.03 7.05 1uwyA1 ASN 230 HD22 -0.09 -0.01 -0.59 -0.04 7.74 7.00 1uwyA1 PHE 231 H -0.02 0.23 0.27 -0.55 8.34 8.26 1uwyA1 PHE 231 HA -0.07 0.22 0.91 -0.75 4.62 4.93 1uwyA1 PHE 231 HB2 -0.14 -0.11 -0.13 -0.04 3.15 2.74 1uwyA1 PHE 231 HB3 -0.12 0.19 0.01 -0.04 3.06 3.09 1uwyA1 PHE 231 HD2 -0.22 0.06 -0.10 -0.04 7.28 6.98 1uwyA1 PHE 231 HE2 -0.54 0.00 -0.18 -0.04 7.38 6.62 1uwyA1 PHE 231 HZ -1.43 -0.02 -0.20 -0.04 7.32 5.63 1uwyA1 PRO 232 HA 0.05 0.11 0.72 -0.51 4.44 4.81 1uwyA1 PRO 232 HB2 0.06 0.04 0.04 -0.04 2.28 2.38 1uwyA1 PRO 232 HB3 0.04 0.02 0.08 -0.04 2.02 2.12 1uwyA1 PRO 232 HG2 0.09 0.05 0.22 -0.04 2.03 2.35 1uwyA1 PRO 232 HG3 0.07 0.03 0.12 -0.04 2.03 2.21 1uwyA1 PRO 232 HD2 0.16 0.22 0.27 -0.04 3.68 4.29 1uwyA1 PRO 232 HD3 0.08 0.15 0.24 -0.04 3.65 4.08 1uwyA1 ASN 233 H 0.05 0.29 0.14 -0.55 8.53 8.46 1uwyA1 ASN 233 HA 0.07 0.16 0.37 -0.75 4.76 4.60 1uwyA1 ASN 233 HB2 0.17 0.27 0.33 -0.04 2.88 3.61 1uwyA1 ASN 233 HB3 0.24 -0.03 0.15 -0.04 2.79 3.10 1uwyA1 ASN 233 HD21 0.09 -0.05 -0.10 -0.04 7.03 6.93 1uwyA1 ASN 233 HD22 0.18 0.09 -0.12 -0.04 7.74 7.85 1uwyA1 GLY 234 H 0.07 -0.01 -0.92 -0.55 8.43 7.02 1uwyA1 GLY 234 HA2 0.05 -0.03 0.26 -0.51 4.01 3.78 1uwyA1 GLY 234 HA3 0.01 0.30 0.40 -0.51 4.01 4.21 1uwyA1 VAL 235 H -0.03 0.36 -0.29 -0.55 8.24 7.73 1uwyA1 VAL 235 HA -0.17 0.25 1.06 -0.75 4.13 4.51 1uwyA1 VAL 235 HB -0.17 -0.03 0.05 -0.04 2.12 1.93 1uwyA1 VAL 235 HG13 -0.42 0.05 -0.38 -0.04 0.97 0.18 1uwyA1 VAL 235 HG23 -0.35 0.01 -0.17 -0.04 0.95 0.39 1uwyA1 THR 236 H -0.08 0.46 0.26 -0.55 8.28 8.37 1uwyA1 THR 236 HA -0.02 0.07 0.48 -0.75 4.39 4.17 1uwyA1 THR 236 HB -0.12 0.12 -0.05 -0.04 4.32 4.23 1uwyA1 THR 236 HG23 -1.10 -0.05 -0.47 -0.04 1.22 -0.44 1uwyA1 ASN 237 H -0.16 0.15 0.10 -0.55 8.53 8.08 1uwyA1 ASN 237 HA -1.15 0.19 0.62 -0.75 4.76 3.67 1uwyA1 ASN 237 HB2 -0.28 0.07 0.08 -0.04 2.88 2.71 1uwyA1 ASN 237 HB3 -0.10 -0.12 0.03 -0.04 2.79 2.56 1uwyA1 ASN 237 HD21 -0.18 0.36 0.01 -0.04 7.03 7.18 1uwyA1 ASN 237 HD22 -0.51 -0.03 -0.01 -0.04 7.74 7.15 1uwyA1 GLY 238 H -0.26 0.44 0.12 -0.55 8.43 8.19 1uwyA1 GLY 238 HA2 0.11 0.05 0.26 -0.51 4.01 3.93 1uwyA1 GLY 238 HA3 0.00 -0.01 0.22 -0.51 4.01 3.71 1uwyA1 TYR 239 H 0.12 0.23 -0.09 -0.55 8.29 7.99 1uwyA1 TYR 239 HA 0.01 0.09 0.11 -0.75 4.56 4.02 1uwyA1 TYR 239 HB2 -0.06 0.11 -0.17 -0.04 3.06 2.89 1uwyA1 TYR 239 HB3 -0.03 -0.05 -0.29 -0.04 2.98 2.57 1uwyA1 TYR 239 HD2 -0.06 0.02 -0.45 -0.04 7.15 6.62 1uwyA1 TYR 239 HE2 -0.08 0.07 -0.02 -0.04 6.85 6.78 1uwyA1 SER 240 H 0.11 -0.04 -0.30 -0.55 8.46 7.69 1uwyA1 SER 240 HA 0.07 0.19 0.29 -0.75 4.49 4.29 1uwyA1 SER 240 HB2 0.05 -0.16 0.01 -0.04 3.95 3.81 1uwyA1 SER 240 HB3 0.10 0.01 0.06 -0.04 3.93 4.06 1uwyA1 TRP 241 H 0.22 -0.04 -1.50 -0.55 7.97 6.11 1uwyA1 TRP 241 HA 0.12 0.11 0.80 -0.75 4.62 4.90 1uwyA1 TRP 241 HB2 -0.02 0.00 -0.11 -0.04 3.23 3.06 1uwyA1 TRP 241 HB3 -0.00 0.16 0.09 -0.04 3.23 3.44 1uwyA1 TRP 241 HD1 0.23 0.06 0.04 -0.04 7.22 7.50 1uwyA1 TRP 241 HE1 0.26 -0.05 -0.08 -0.04 10.20 10.28 1uwyA1 TRP 241 HE3 -0.13 0.01 -0.13 -0.04 7.59 7.30 1uwyA1 TRP 241 HZ2 0.14 -0.01 -0.13 -0.04 7.44 7.41 1uwyA1 TRP 241 HZ3 -0.14 -0.07 -0.16 -0.04 7.13 6.72 1uwyA1 TRP 241 HH2 -0.02 -0.07 -0.19 -0.04 7.19 6.87 1uwyA1 TYR 242 H 0.11 0.62 0.12 -0.55 8.29 8.59 1uwyA1 TYR 242 HA -0.23 0.08 0.49 -0.75 4.56 4.14 1uwyA1 TYR 242 HB2 -0.49 0.19 -0.15 -0.04 3.06 2.57 1uwyA1 TYR 242 HB3 -0.70 -0.11 -0.11 -0.04 2.98 2.02 1uwyA1 TYR 242 HD2 -0.27 0.07 -0.54 -0.04 7.15 6.37 1uwyA1 TYR 242 HE2 -0.12 -0.01 0.00 -0.04 6.85 6.68 1uwyA1 PRO 243 HA 0.15 0.10 0.42 -0.51 4.44 4.60 1uwyA1 PRO 243 HB2 0.03 -0.00 0.12 -0.04 2.28 2.39 1uwyA1 PRO 243 HB3 0.16 -0.10 0.05 -0.04 2.02 2.09 1uwyA1 PRO 243 HG2 -0.49 0.02 0.03 -0.04 2.03 1.56 1uwyA1 PRO 243 HG3 -1.83 -0.02 0.01 -0.04 2.03 0.14 1uwyA1 PRO 243 HD2 -0.31 0.08 0.15 -0.04 3.68 3.56 1uwyA1 PRO 243 HD3 -0.39 0.35 0.10 -0.04 3.65 3.67 1uwyA1 LEU 244 H 0.07 1.20 0.39 -0.55 8.37 9.48 1uwyA1 LEU 244 HA -0.14 0.14 0.85 -0.75 4.35 4.44 1uwyA1 LEU 244 HB2 -0.20 0.22 0.05 -0.04 1.64 1.67 1uwyA1 LEU 244 HB3 -0.02 -0.24 0.11 -0.04 1.64 1.45 1uwyA1 LEU 244 HG -0.04 0.02 -0.33 -0.04 1.64 1.25 1uwyA1 LEU 244 HD13 -0.27 0.01 -0.06 -0.04 0.93 0.57 1uwyA1 LEU 244 HD23 -0.10 -0.05 -0.05 -0.04 0.89 0.65 1uwyA1 GLN 245 H 0.02 0.24 0.08 -0.55 8.47 8.26 1uwyA1 GLN 245 HA 0.13 -0.02 0.68 -0.75 4.36 4.40 1uwyA1 GLN 245 HB2 0.10 -0.00 -0.02 -0.04 2.15 2.19 1uwyA1 GLN 245 HB3 0.08 0.05 0.12 -0.04 2.02 2.22 1uwyA1 GLN 245 HG2 0.12 0.07 -0.29 -0.04 2.40 2.26 1uwyA1 GLN 245 HG3 0.14 -0.11 -0.03 -0.04 2.39 2.36 1uwyA1 GLN 245 HE21 0.10 0.02 0.01 -0.04 6.97 7.05 1uwyA1 GLN 245 HE22 0.12 0.04 -0.08 -0.04 7.69 7.73 1uwyA1 GLY 246 H 0.20 0.00 0.08 -0.55 8.43 8.16 1uwyA1 GLY 246 HA2 0.22 0.09 0.06 -0.51 4.01 3.87 1uwyA1 GLY 246 HA3 0.15 0.25 0.24 -0.51 4.01 4.13 1uwyA1 GLY 247 H 0.16 0.02 -0.07 -0.55 8.43 8.00 1uwyA1 GLY 247 HA2 0.10 0.29 0.71 -0.51 4.01 4.60 1uwyA1 GLY 247 HA3 0.05 0.02 0.19 -0.51 4.01 3.76 1uwyA1 MET 248 H -0.15 0.21 0.12 -0.55 8.47 8.10 1uwyA1 MET 248 HA -0.92 0.11 0.31 -0.75 4.52 3.27 1uwyA1 MET 248 HB2 -0.41 0.04 0.11 -0.04 2.15 1.85 1uwyA1 MET 248 HB3 -0.18 -0.00 -0.01 -0.04 2.03 1.80 1uwyA1 MET 248 HG2 -0.27 -0.00 -0.05 -0.04 2.63 2.26 1uwyA1 MET 248 HG3 -0.98 0.05 -0.00 -0.04 2.56 1.59 1uwyA1 MET 248 HE3 0.06 -0.01 -0.07 -0.04 2.10 2.05 1uwyA1 GLN 249 H -0.04 0.09 -0.22 -0.55 8.47 7.75 1uwyA1 GLN 249 HA 0.01 0.09 0.27 -0.75 4.36 3.98 1uwyA1 GLN 249 HB2 -0.00 -0.01 -0.06 -0.04 2.15 2.04 1uwyA1 GLN 249 HB3 0.00 -0.10 -0.06 -0.04 2.02 1.82 1uwyA1 GLN 249 HG2 -0.11 0.04 -0.16 -0.04 2.40 2.13 1uwyA1 GLN 249 HG3 -0.00 -0.01 -0.51 -0.04 2.39 1.82 1uwyA1 GLN 249 HE21 -0.02 0.09 -0.22 -0.04 6.97 6.77 1uwyA1 GLN 249 HE22 -0.02 -0.12 -0.14 -0.04 7.69 7.37 1uwyA1 ASP 250 H 0.10 0.08 -0.26 -0.55 8.40 7.77 1uwyA1 ASP 250 HA 0.23 0.08 0.39 -0.75 4.63 4.57 1uwyA1 ASP 250 HB2 0.27 0.11 0.11 -0.04 2.71 3.16 1uwyA1 ASP 250 HB3 0.34 -0.01 0.02 -0.04 2.70 3.01 1uwyA1 TYR 251 H 0.25 0.30 -0.28 -0.55 8.29 8.01 1uwyA1 TYR 251 HA 0.59 0.00 0.41 -0.75 4.56 4.81 1uwyA1 TYR 251 HB2 0.11 0.03 0.04 -0.04 3.06 3.20 1uwyA1 TYR 251 HB3 -0.12 0.07 0.20 -0.04 2.98 3.10 1uwyA1 TYR 251 HD2 0.16 0.01 -0.04 -0.04 7.15 7.23 1uwyA1 TYR 251 HE2 -0.17 0.04 -0.03 -0.04 6.85 6.65 1uwyA1 ASN 252 H 0.16 0.49 0.05 -0.55 8.53 8.68 1uwyA1 ASN 252 HA -0.02 0.00 0.28 -0.75 4.76 4.27 1uwyA1 ASN 252 HB2 0.07 0.04 0.07 -0.04 2.88 3.02 1uwyA1 ASN 252 HB3 0.05 0.16 -0.19 -0.04 2.79 2.77 1uwyA1 ASN 252 HD21 -0.05 -0.08 -0.07 -0.04 7.03 6.78 1uwyA1 ASN 252 HD22 -0.01 0.36 0.05 -0.04 7.74 8.10 1uwyA1 TYR 253 H 0.21 0.15 -0.61 -0.55 8.29 7.49 1uwyA1 TYR 253 HA 0.08 0.27 0.60 -0.75 4.56 4.76 1uwyA1 TYR 253 HB2 0.03 -0.03 0.13 -0.04 3.06 3.15 1uwyA1 TYR 253 HB3 0.02 -0.02 0.09 -0.04 2.98 3.04 1uwyA1 TYR 253 HD2 -0.05 0.03 -0.10 -0.04 7.15 6.98 1uwyA1 TYR 253 HE2 -0.44 -0.01 0.01 -0.04 6.85 6.37 1uwyA1 ILE 254 H 0.04 0.51 0.16 -0.55 8.25 8.41 1uwyA1 ILE 254 HA -0.31 0.08 0.76 -0.75 4.18 3.96 1uwyA1 ILE 254 HB -0.54 0.01 0.26 -0.04 1.89 1.58 1uwyA1 ILE 254 HG12 0.15 0.09 0.08 -0.04 1.49 1.76 1uwyA1 ILE 254 HG13 -0.31 -0.21 0.03 -0.04 1.21 0.67 1uwyA1 ILE 254 HG23 -1.88 -0.04 -0.15 -0.04 0.93 -1.18 1uwyA1 ILE 254 HD13 -0.17 -0.01 0.04 -0.04 0.88 0.69 1uwyA1 TRP 255 H -0.03 0.43 0.19 -0.55 7.97 8.01 1uwyA1 TRP 255 HA -0.14 0.27 0.86 -0.75 4.62 4.86 1uwyA1 TRP 255 HB2 -0.72 -0.05 -0.00 -0.04 3.23 2.42 1uwyA1 TRP 255 HB3 -0.26 0.04 0.03 -0.04 3.23 3.00 1uwyA1 TRP 255 HD1 -0.06 0.06 -0.06 -0.04 7.22 7.12 1uwyA1 TRP 255 HE1 -0.04 0.22 -0.29 -0.04 10.20 10.05 1uwyA1 TRP 255 HE3 -0.02 0.02 0.03 -0.04 7.59 7.57 1uwyA1 TRP 255 HZ2 -0.05 0.05 -0.36 -0.04 7.44 7.04 1uwyA1 TRP 255 HZ3 0.21 0.10 -0.21 -0.04 7.13 7.19 1uwyA1 TRP 255 HH2 0.00 -0.29 -0.86 -0.04 7.19 6.00 1uwyA1 ALA 256 H -0.10 0.19 -0.15 -0.55 8.40 7.79 1uwyA1 ALA 256 HA -0.08 0.26 0.94 -0.75 4.34 4.70 1uwyA1 ALA 256 HB3 -0.09 -0.00 0.09 -0.04 1.41 1.36 1uwyA1 GLN 257 H -0.17 0.00 -0.30 -0.55 8.47 7.46 1uwyA1 GLN 257 HA -0.79 0.01 0.29 -0.75 4.36 3.12 1uwyA1 GLN 257 HB2 -0.30 -0.04 -0.58 -0.04 2.15 1.19 1uwyA1 GLN 257 HB3 -0.38 0.08 0.15 -0.04 2.02 1.82 1uwyA1 GLN 257 HG2 -1.02 0.01 0.15 -0.04 2.40 1.49 1uwyA1 GLN 257 HG3 -1.57 -0.01 0.06 -0.04 2.39 0.83 1uwyA1 GLN 257 HE21 -0.12 -0.03 -0.02 -0.04 6.97 6.76 1uwyA1 GLN 257 HE22 -0.21 0.08 -0.09 -0.04 7.69 7.43 1uwyA1 CYS 258 H -0.02 0.36 -0.31 -0.55 8.50 7.98 1uwyA1 CYS 258 HA 0.11 0.32 1.11 -0.75 4.58 5.37 1uwyA1 CYS 258 HB2 -0.02 -0.12 -0.62 -0.04 2.97 2.17 1uwyA1 CYS 258 HB3 -0.03 0.35 -0.19 -0.04 2.97 3.05 1uwyA1 PHE 259 H 0.33 0.52 0.19 -0.55 8.34 8.83 1uwyA1 PHE 259 HA 0.35 0.07 0.61 -0.75 4.62 4.90 1uwyA1 PHE 259 HB2 -0.10 0.05 0.26 -0.04 3.15 3.32 1uwyA1 PHE 259 HB3 -0.16 -0.03 -0.07 -0.04 3.06 2.77 1uwyA1 PHE 259 HD2 -0.44 -0.05 -0.14 -0.04 7.28 6.61 1uwyA1 PHE 259 HE2 -0.05 -0.00 0.00 -0.04 7.38 7.29 1uwyA1 PHE 259 HZ 0.11 0.01 0.05 -0.04 7.32 7.44 1uwyA1 GLU 260 H 0.27 0.23 0.17 -0.55 8.60 8.72 1uwyA1 GLU 260 HA 0.13 0.20 0.60 -0.75 4.29 4.47 1uwyA1 GLU 260 HB2 0.05 0.07 -0.10 -0.04 2.09 2.07 1uwyA1 GLU 260 HB3 0.04 -0.12 -0.03 -0.04 1.99 1.84 1uwyA1 GLU 260 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 1uwyA1 GLU 260 HG3 -0.04 -0.03 -0.12 -0.04 2.34 2.10 1uwyA1 ILE 261 H 0.13 0.30 0.14 -0.55 8.25 8.27 1uwyA1 ILE 261 HA 0.06 0.13 0.75 -0.75 4.18 4.36 1uwyA1 ILE 261 HB 0.13 0.08 -0.05 -0.04 1.89 2.00 1uwyA1 ILE 261 HG12 0.00 0.05 -0.11 -0.04 1.49 1.40 1uwyA1 ILE 261 HG13 -0.08 -0.06 -0.69 -0.04 1.21 0.33 1uwyA1 ILE 261 HG23 0.42 0.02 -0.20 -0.04 0.93 1.13 1uwyA1 ILE 261 HD13 0.01 0.01 -0.25 -0.04 0.88 0.60 1uwyA1 THR 262 H -0.00 0.91 0.28 -0.55 8.28 8.92 1uwyA1 THR 262 HA 0.02 0.18 0.97 -0.75 4.39 4.81 1uwyA1 THR 262 HB 0.03 -0.06 0.10 -0.04 4.32 4.35 1uwyA1 THR 262 HG23 0.11 0.01 -0.12 -0.04 1.22 1.17 1uwyA1 LEU 263 H -0.06 0.34 0.11 -0.55 8.37 8.21 1uwyA1 LEU 263 HA -0.23 0.25 1.04 -0.75 4.35 4.66 1uwyA1 LEU 263 HB2 -0.26 -0.12 0.10 -0.04 1.64 1.32 1uwyA1 LEU 263 HB3 -0.49 0.06 -0.07 -0.04 1.64 1.10 1uwyA1 LEU 263 HG -0.37 -0.04 -0.26 -0.04 1.64 0.93 1uwyA1 LEU 263 HD13 -0.82 0.02 -0.13 -0.04 0.93 -0.04 1uwyA1 LEU 263 HD23 -0.75 0.04 -0.19 -0.04 0.89 -0.05 1uwyA1 GLU 264 H -0.11 1.00 0.32 -0.55 8.60 9.25 1uwyA1 GLU 264 HA 0.06 0.03 0.61 -0.75 4.29 4.23 1uwyA1 GLU 264 HB2 -0.11 -0.03 0.15 -0.04 2.09 2.06 1uwyA1 GLU 264 HB3 0.04 -0.00 -0.34 -0.04 1.99 1.64 1uwyA1 GLU 264 HG2 0.05 0.00 -0.26 -0.04 2.34 2.09 1uwyA1 GLU 264 HG3 0.04 0.02 -0.21 -0.04 2.34 2.15 1uwyA1 LEU 265 H -0.02 0.71 0.28 -0.55 8.37 8.79 1uwyA1 LEU 265 HA 0.02 0.20 0.61 -0.75 4.35 4.43 1uwyA1 LEU 265 HB2 -0.07 -0.09 -0.00 -0.04 1.64 1.44 1uwyA1 LEU 265 HB3 -0.00 0.01 0.04 -0.04 1.64 1.65 1uwyA1 LEU 265 HG -0.10 0.06 -0.15 -0.04 1.64 1.41 1uwyA1 LEU 265 HD13 -0.05 -0.02 -0.08 -0.04 0.93 0.74 1uwyA1 LEU 265 HD23 -0.08 0.03 -0.25 -0.04 0.89 0.55 1uwyA1 SER 266 H 0.01 0.20 0.06 -0.55 8.46 8.18 1uwyA1 SER 266 HA 0.13 0.15 0.60 -0.75 4.49 4.62 1uwyA1 SER 266 HB2 -0.03 -0.01 -0.03 -0.04 3.95 3.84 1uwyA1 SER 266 HB3 -0.39 0.04 -0.25 -0.04 3.93 3.29 1uwyA1 CYS 267 H 0.11 0.17 -0.04 -0.55 8.50 8.20 1uwyA1 CYS 267 HA 0.05 0.10 0.08 -0.75 4.58 4.06 1uwyA1 CYS 267 HB2 0.05 -0.09 0.07 -0.04 2.97 2.96 1uwyA1 CYS 267 HB3 0.03 0.01 -0.08 -0.04 2.97 2.88 1uwyA1 CYS 268 H 0.06 0.06 -0.06 -0.55 8.50 8.01 1uwyA1 CYS 268 HA -0.16 0.16 0.50 -0.75 4.58 4.33 1uwyA1 CYS 268 HB2 -0.02 0.03 0.05 -0.04 2.97 2.98 1uwyA1 CYS 268 HB3 0.11 -0.01 0.11 -0.04 2.97 3.13 1uwyA1 LYS 269 H -0.09 0.60 0.28 -0.55 8.42 8.66 1uwyA1 LYS 269 HA 0.00 -0.12 0.12 -0.75 4.32 3.57 1uwyA1 LYS 269 HB2 0.01 0.09 -0.05 -0.04 1.87 1.87 1uwyA1 LYS 269 HB3 0.03 -0.11 -0.19 -0.04 1.79 1.48 1uwyA1 LYS 269 HG2 0.02 0.04 -0.29 -0.04 1.46 1.19 1uwyA1 LYS 269 HG3 -0.06 0.17 0.21 -0.04 1.46 1.74 1uwyA1 LYS 269 HD2 -0.05 0.05 0.12 -0.04 1.69 1.77 1uwyA1 LYS 269 HD3 -0.03 -0.05 -0.15 -0.04 1.68 1.40 1uwyA1 LYS 269 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.88 1uwyA1 LYS 269 HE3 0.04 -0.15 -0.07 -0.04 2.99 2.77 1uwyA1 TYR 270 H 0.12 0.04 -0.46 -0.55 8.29 7.43 1uwyA1 TYR 270 HA 0.05 0.07 0.81 -0.75 4.56 4.73 1uwyA1 TYR 270 HB2 0.00 0.14 -0.08 -0.04 3.06 3.08 1uwyA1 TYR 270 HB3 0.01 -0.25 0.19 -0.04 2.98 2.89 1uwyA1 TYR 270 HD2 0.02 0.06 -0.11 -0.04 7.15 7.07 1uwyA1 TYR 270 HE2 -0.74 0.02 -0.05 -0.04 6.85 6.04 1uwyA1 PRO 271 HA 0.19 -0.02 0.29 -0.51 4.44 4.39 1uwyA1 PRO 271 HB2 0.43 0.06 -0.05 -0.04 2.28 2.69 1uwyA1 PRO 271 HB3 0.32 -0.00 0.05 -0.04 2.02 2.34 1uwyA1 PRO 271 HG2 0.29 0.02 -0.16 -0.04 2.03 2.14 1uwyA1 PRO 271 HG3 -0.08 0.04 -0.06 -0.04 2.03 1.89 1uwyA1 PRO 271 HD2 0.18 0.03 -0.03 -0.04 3.68 3.81 1uwyA1 PRO 271 HD3 0.08 0.59 -0.15 -0.04 3.65 4.13 1uwyA1 ARG 272 H 0.15 0.08 0.10 -0.55 8.46 8.23 1uwyA1 ARG 272 HA 0.18 0.15 0.51 -0.75 4.34 4.43 1uwyA1 ARG 272 HB2 0.07 -0.01 0.09 -0.04 1.90 2.01 1uwyA1 ARG 272 HB3 0.06 -0.04 0.09 -0.04 1.80 1.87 1uwyA1 ARG 272 HG2 0.06 0.08 0.02 -0.04 1.67 1.78 1uwyA1 ARG 272 HG3 0.07 -0.03 0.05 -0.04 1.67 1.72 1uwyA1 ARG 272 HD2 0.03 0.02 0.03 -0.04 3.22 3.26 1uwyA1 ARG 272 HD3 0.03 0.04 0.01 -0.04 3.22 3.26 1uwyA1 GLU 273 H 0.09 0.17 0.18 -0.55 8.60 8.49 1uwyA1 GLU 273 HA -0.22 0.09 0.32 -0.75 4.29 3.73 1uwyA1 GLU 273 HB2 0.00 -0.03 0.18 -0.04 2.09 2.20 1uwyA1 GLU 273 HB3 -0.06 0.14 0.09 -0.04 1.99 2.12 1uwyA1 GLU 273 HG2 -0.39 -0.02 0.11 -0.04 2.34 2.00 1uwyA1 GLU 273 HG3 0.11 0.04 0.15 -0.04 2.34 2.59 1uwyA1 GLU 274 H 0.02 0.05 -0.20 -0.55 8.60 7.92 1uwyA1 GLU 274 HA -0.02 0.11 0.40 -0.75 4.29 4.03 1uwyA1 GLU 274 HB2 -0.01 0.03 -0.04 -0.04 2.09 2.03 1uwyA1 GLU 274 HB3 -0.01 0.05 0.12 -0.04 1.99 2.11 1uwyA1 GLU 274 HG2 0.01 -0.03 0.07 -0.04 2.34 2.35 1uwyA1 GLU 274 HG3 0.02 -0.08 0.01 -0.04 2.34 2.25 1uwyA1 LYS 275 H 0.04 0.47 -0.65 -0.55 8.42 7.72 1uwyA1 LYS 275 HA -0.11 0.17 0.81 -0.75 4.32 4.44 1uwyA1 LYS 275 HB2 0.19 0.12 -0.04 -0.04 1.87 2.10 1uwyA1 LYS 275 HB3 -0.29 -0.04 0.07 -0.04 1.79 1.48 1uwyA1 LYS 275 HG2 -0.06 0.04 -0.09 -0.04 1.46 1.31 1uwyA1 LYS 275 HG3 0.03 -0.06 -0.10 -0.04 1.46 1.29 1uwyA1 LYS 275 HD2 0.17 -0.08 0.02 -0.04 1.69 1.76 1uwyA1 LYS 275 HD3 -0.02 0.03 -0.00 -0.04 1.68 1.64 1uwyA1 LYS 275 HE2 0.04 -0.03 0.01 -0.04 2.99 2.97 1uwyA1 LYS 275 HE3 0.07 -0.05 0.02 -0.04 2.99 2.99 1uwyA1 LEU 276 H 0.05 0.59 -0.00 -0.55 8.37 8.45 1uwyA1 LEU 276 HA 0.36 -0.02 0.38 -0.75 4.35 4.32 1uwyA1 LEU 276 HB2 0.14 0.24 0.13 -0.04 1.64 2.11 1uwyA1 LEU 276 HB3 0.31 -0.02 -0.05 -0.04 1.64 1.84 1uwyA1 LEU 276 HG 0.09 -0.06 -0.02 -0.04 1.64 1.61 1uwyA1 LEU 276 HD13 -0.34 0.05 -0.17 -0.04 0.93 0.43 1uwyA1 LEU 276 HD23 0.18 -0.02 -0.12 -0.04 0.89 0.90 1uwyA1 PRO 277 HA -1.12 0.07 0.40 -0.51 4.44 3.28 1uwyA1 PRO 277 HB2 -0.28 0.02 0.04 -0.04 2.28 2.02 1uwyA1 PRO 277 HB3 -0.46 0.05 0.07 -0.04 2.02 1.64 1uwyA1 PRO 277 HG2 -0.25 0.06 0.06 -0.04 2.03 1.86 1uwyA1 PRO 277 HG3 -0.95 0.04 0.08 -0.04 2.03 1.16 1uwyA1 PRO 277 HD2 -0.16 0.17 -0.17 -0.04 3.68 3.48 1uwyA1 PRO 277 HD3 -0.14 0.21 0.14 -0.04 3.65 3.81 1uwyA1 SER 278 H -0.20 0.20 -0.48 -0.55 8.46 7.43 1uwyA1 SER 278 HA -0.15 0.04 0.38 -0.75 4.49 4.01 1uwyA1 SER 278 HB2 -0.20 -0.02 0.08 -0.04 3.95 3.77 1uwyA1 SER 278 HB3 -0.38 0.15 0.07 -0.04 3.93 3.73 1uwyA1 PHE 279 H -0.02 0.38 -0.06 -0.55 8.34 8.08 1uwyA1 PHE 279 HA -0.02 0.03 0.47 -0.75 4.62 4.36 1uwyA1 PHE 279 HB2 0.05 0.02 0.18 -0.04 3.15 3.36 1uwyA1 PHE 279 HB3 0.07 -0.03 -0.06 -0.04 3.06 2.99 1uwyA1 PHE 279 HD2 0.03 0.01 -0.18 -0.04 7.28 7.10 1uwyA1 PHE 279 HE2 0.04 -0.03 -0.03 -0.04 7.38 7.32 1uwyA1 PHE 279 HZ 0.03 -0.11 -0.01 -0.04 7.32 7.20 1uwyA1 TRP 280 H 0.26 0.92 -0.00 -0.55 7.97 8.60 1uwyA1 TRP 280 HA 0.04 -0.02 0.34 -0.75 4.62 4.22 1uwyA1 TRP 280 HB2 0.14 -0.04 0.02 -0.04 3.23 3.31 1uwyA1 TRP 280 HB3 -0.14 0.13 0.17 -0.04 3.23 3.34 1uwyA1 TRP 280 HD1 0.01 0.01 -0.04 -0.04 7.22 7.16 1uwyA1 TRP 280 HE1 0.01 0.00 -0.04 -0.04 10.20 10.13 1uwyA1 TRP 280 HE3 0.03 -0.03 0.01 -0.04 7.59 7.55 1uwyA1 TRP 280 HZ2 -0.62 0.01 -0.02 -0.04 7.44 6.76 1uwyA1 TRP 280 HZ3 -0.03 0.05 -0.10 -0.04 7.13 7.01 1uwyA1 TRP 280 HH2 -0.29 0.02 -0.03 -0.04 7.19 6.85 1uwyA1 ASN 281 H -0.03 0.67 -0.13 -0.55 8.53 8.49 1uwyA1 ASN 281 HA -0.41 -0.04 0.30 -0.75 4.76 3.86 1uwyA1 ASN 281 HB2 -0.09 0.09 0.15 -0.04 2.88 2.98 1uwyA1 ASN 281 HB3 -0.13 0.07 0.17 -0.04 2.79 2.86 1uwyA1 ASN 281 HD21 -0.08 -0.03 -0.03 -0.04 7.03 6.85 1uwyA1 ASN 281 HD22 -0.10 0.01 -0.05 -0.04 7.74 7.56 1uwyA1 ASN 282 H -0.11 0.68 -0.04 -0.55 8.53 8.51 1uwyA1 ASN 282 HA -0.14 0.10 0.66 -0.75 4.76 4.63 1uwyA1 ASN 282 HB2 -0.02 0.07 0.15 -0.04 2.88 3.04 1uwyA1 ASN 282 HB3 -0.04 -0.15 0.26 -0.04 2.79 2.81 1uwyA1 ASN 282 HD21 -0.12 -0.10 0.02 -0.04 7.03 6.80 1uwyA1 ASN 282 HD22 -0.13 0.34 0.07 -0.04 7.74 7.98 1uwyA1 ASN 283 H -0.32 0.41 -0.46 -0.55 8.53 7.61 1uwyA1 ASN 283 HA -0.22 0.17 0.91 -0.75 4.76 4.87 1uwyA1 ASN 283 HB2 -0.11 0.17 0.06 -0.04 2.88 2.97 1uwyA1 ASN 283 HB3 -0.05 -0.12 -0.02 -0.04 2.79 2.56 1uwyA1 ASN 283 HD21 0.14 -0.04 -0.11 -0.04 7.03 6.98 1uwyA1 ASN 283 HD22 0.07 0.26 -0.24 -0.04 7.74 7.79 1uwyA1 LYS 284 H -0.85 0.63 0.21 -0.55 8.42 7.86 1uwyA1 LYS 284 HA -1.16 0.00 0.38 -0.75 4.32 2.78 1uwyA1 LYS 284 HB2 -1.26 0.16 0.16 -0.04 1.87 0.89 1uwyA1 LYS 284 HB3 -0.54 -0.17 0.20 -0.04 1.79 1.23 1uwyA1 LYS 284 HG2 -0.49 -0.02 -0.08 -0.04 1.46 0.83 1uwyA1 LYS 284 HG3 -1.05 -0.00 0.02 -0.04 1.46 0.39 1uwyA1 LYS 284 HD2 0.08 0.00 -0.02 -0.04 1.69 1.71 1uwyA1 LYS 284 HD3 -0.42 0.01 -0.02 -0.04 1.68 1.20 1uwyA1 LYS 284 HE2 -0.25 0.05 0.05 -0.04 2.99 2.79 1uwyA1 LYS 284 HE3 -0.07 -0.02 0.00 -0.04 2.99 2.86 1uwyA1 ALA 285 H -0.33 0.19 -0.05 -0.55 8.40 7.66 1uwyA1 ALA 285 HA -0.15 -0.03 0.33 -0.75 4.34 3.74 1uwyA1 ALA 285 HB3 -0.14 0.04 0.05 -0.04 1.41 1.32 1uwyA1 SER 286 H -0.34 0.25 -0.53 -0.55 8.46 7.29 1uwyA1 SER 286 HA -0.35 0.08 0.50 -0.75 4.49 3.96 1uwyA1 SER 286 HB2 -0.72 0.05 0.11 -0.04 3.95 3.35 1uwyA1 SER 286 HB3 -2.50 -0.12 -0.06 -0.04 3.93 1.21 1uwyA1 LEU 287 H -0.20 0.58 0.03 -0.55 8.37 8.23 1uwyA1 LEU 287 HA 0.36 0.00 0.37 -0.75 4.35 4.32 1uwyA1 LEU 287 HB2 -0.01 0.08 0.11 -0.04 1.64 1.78 1uwyA1 LEU 287 HB3 0.16 -0.04 -0.05 -0.04 1.64 1.67 1uwyA1 LEU 287 HG -0.01 -0.03 -0.09 -0.04 1.64 1.47 1uwyA1 LEU 287 HD13 -0.24 -0.02 -0.08 -0.04 0.93 0.54 1uwyA1 LEU 287 HD23 -0.12 0.00 -0.18 -0.04 0.89 0.55 1uwyA1 ILE 288 H -0.04 0.46 -0.11 -0.55 8.25 8.01 1uwyA1 ILE 288 HA 0.05 0.00 0.24 -0.75 4.18 3.71 1uwyA1 ILE 288 HB -0.01 0.06 0.03 -0.04 1.89 1.93 1uwyA1 ILE 288 HG12 -0.06 0.17 -0.03 -0.04 1.49 1.54 1uwyA1 ILE 288 HG13 0.17 -0.04 -0.08 -0.04 1.21 1.21 1uwyA1 ILE 288 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 1uwyA1 ILE 288 HD13 0.23 -0.01 -0.09 -0.04 0.88 0.97 1uwyA1 GLU 289 H -0.03 0.66 -0.15 -0.55 8.60 8.54 1uwyA1 GLU 289 HA -0.01 -0.03 0.27 -0.75 4.29 3.77 1uwyA1 GLU 289 HB2 -0.05 0.24 0.13 -0.04 2.09 2.37 1uwyA1 GLU 289 HB3 0.01 -0.01 -0.12 -0.04 1.99 1.82 1uwyA1 GLU 289 HG2 -0.02 -0.07 0.01 -0.04 2.34 2.22 1uwyA1 GLU 289 HG3 -0.03 -0.00 -0.03 -0.04 2.34 2.24 1uwyA1 TYR 290 H 0.21 0.40 -0.58 -0.55 8.29 7.77 1uwyA1 TYR 290 HA 0.13 0.03 0.38 -0.75 4.56 4.34 1uwyA1 TYR 290 HB2 0.35 0.12 0.07 -0.04 3.06 3.55 1uwyA1 TYR 290 HB3 0.39 0.06 0.14 -0.04 2.98 3.52 1uwyA1 TYR 290 HD2 0.39 0.00 -0.11 -0.04 7.15 7.39 1uwyA1 TYR 290 HE2 0.11 0.06 -0.15 -0.04 6.85 6.83 1uwyA1 ILE 291 H 0.11 0.59 0.03 -0.55 8.25 8.43 1uwyA1 ILE 291 HA -1.20 0.00 0.31 -0.75 4.18 2.54 1uwyA1 ILE 291 HB -0.20 0.11 0.12 -0.04 1.89 1.87 1uwyA1 ILE 291 HG12 -2.06 -0.02 -0.08 -0.04 1.49 -0.71 1uwyA1 ILE 291 HG13 -0.37 0.02 -0.04 -0.04 1.21 0.78 1uwyA1 ILE 291 HG23 -0.41 -0.00 -0.24 -0.04 0.93 0.23 1uwyA1 ILE 291 HD13 0.04 -0.02 -0.15 -0.04 0.88 0.70 1uwyA1 LYS 292 H -0.15 0.60 -0.23 -0.55 8.42 8.08 1uwyA1 LYS 292 HA -0.17 -0.01 0.16 -0.75 4.32 3.54 1uwyA1 LYS 292 HB2 -0.19 0.01 -0.00 -0.04 1.87 1.65 1uwyA1 LYS 292 HB3 -0.07 0.21 -0.07 -0.04 1.79 1.82 1uwyA1 LYS 292 HG2 0.01 0.01 -0.13 -0.04 1.46 1.31 1uwyA1 LYS 292 HG3 -0.24 -0.03 0.01 -0.04 1.46 1.16 1uwyA1 LYS 292 HD2 0.13 -0.02 -0.08 -0.04 1.69 1.68 1uwyA1 LYS 292 HD3 -0.44 -0.04 -0.10 -0.04 1.68 1.07 1uwyA1 LYS 292 HE2 -0.04 0.03 -0.16 -0.04 2.99 2.78 1uwyA1 LYS 292 HE3 0.04 0.03 -0.07 -0.04 2.99 2.95 1uwyA1 GLN 293 H -0.14 0.60 -1.01 -0.55 8.47 7.37 1uwyA1 GLN 293 HA 0.00 0.01 0.42 -0.75 4.36 4.04 1uwyA1 GLN 293 HB2 -0.26 0.27 0.10 -0.04 2.15 2.23 1uwyA1 GLN 293 HB3 -0.04 -0.16 0.08 -0.04 2.02 1.85 1uwyA1 GLN 293 HG2 -0.02 0.38 0.16 -0.04 2.40 2.87 1uwyA1 GLN 293 HG3 0.05 -0.12 0.02 -0.04 2.39 2.29 1uwyA1 GLN 293 HE21 0.15 -0.10 -0.08 -0.04 6.97 6.90 1uwyA1 GLN 293 HE22 0.06 0.27 -0.03 -0.04 7.69 7.94 1uwyA1 VAL 294 H -0.20 0.84 -0.14 -0.55 8.24 8.19 1uwyA1 VAL 294 HA -0.19 -0.04 0.34 -0.75 4.13 3.49 1uwyA1 VAL 294 HB -0.08 0.19 0.11 -0.04 2.12 2.30 1uwyA1 VAL 294 HG13 -0.68 -0.01 -0.25 -0.04 0.97 -0.01 1uwyA1 VAL 294 HG23 -0.07 -0.04 0.01 -0.04 0.95 0.81 1uwyA1 HIS 295 H -0.11 0.15 -1.06 -0.55 8.41 6.85 1uwyA1 HIS 295 HA -0.01 0.17 0.77 -0.75 4.63 4.81 1uwyA1 HIS 295 HB2 0.04 0.11 -0.10 -0.04 3.26 3.27 1uwyA1 HIS 295 HB3 0.05 -0.11 -0.32 -0.04 3.20 2.78 1uwyA1 HIS 295 HD2 -0.07 0.05 -0.13 -0.04 6.97 6.77 1uwyA1 HIS 295 HE1 0.04 0.18 0.08 -0.04 7.75 8.02 1uwyA1 LEU 296 H -0.09 0.32 -0.17 -0.55 8.37 7.88 1uwyA1 LEU 296 HA -0.04 0.06 0.65 -0.75 4.35 4.28 1uwyA1 LEU 296 HB2 -0.17 -0.07 0.10 -0.04 1.64 1.46 1uwyA1 LEU 296 HB3 -0.17 0.21 0.13 -0.04 1.64 1.78 1uwyA1 LEU 296 HG -0.06 0.08 0.06 -0.04 1.64 1.68 1uwyA1 LEU 296 HD13 -0.16 -0.02 -0.05 -0.04 0.93 0.65 1uwyA1 LEU 296 HD23 -0.33 -0.02 0.00 -0.04 0.89 0.51 1uwyA1 GLY 297 H -0.07 0.10 0.18 -0.55 8.43 8.10 1uwyA1 GLY 297 HA2 -0.09 -0.02 0.32 -0.51 4.01 3.71 1uwyA1 GLY 297 HA3 -0.12 0.10 0.58 -0.51 4.01 4.05 1uwyA1 VAL 298 H -0.09 0.31 0.28 -0.55 8.24 8.20 1uwyA1 VAL 298 HA -0.05 0.20 1.17 -0.75 4.13 4.70 1uwyA1 VAL 298 HB -0.01 0.09 -0.01 -0.04 2.12 2.15 1uwyA1 VAL 298 HG13 0.01 -0.05 -0.22 -0.04 0.97 0.67 1uwyA1 VAL 298 HG23 0.03 -0.03 -0.11 -0.04 0.95 0.80 1uwyA1 LYS 299 H -0.17 0.75 0.43 -0.55 8.42 8.88 1uwyA1 LYS 299 HA -0.81 0.27 0.80 -0.75 4.32 3.82 1uwyA1 LYS 299 HB2 -0.73 -0.05 0.18 -0.04 1.87 1.23 1uwyA1 LYS 299 HB3 -0.14 0.04 -0.05 -0.04 1.79 1.59 1uwyA1 LYS 299 HG2 -0.06 0.01 -0.31 -0.04 1.46 1.05 1uwyA1 LYS 299 HG3 -0.16 -0.11 -0.26 -0.04 1.46 0.88 1uwyA1 LYS 299 HD2 -0.02 -0.06 -0.01 -0.04 1.69 1.55 1uwyA1 LYS 299 HD3 0.21 0.04 -0.02 -0.04 1.68 1.87 1uwyA1 LYS 299 HE2 0.08 -0.08 -0.16 -0.04 2.99 2.78 1uwyA1 LYS 299 HE3 0.03 -0.09 -0.12 -0.04 2.99 2.77 1uwyA1 GLY 300 H -0.86 0.45 0.40 -0.55 8.43 7.87 1uwyA1 GLY 300 HA2 -0.20 -0.03 0.28 -0.51 4.01 3.55 1uwyA1 GLY 300 HA3 -0.12 0.30 0.55 -0.51 4.01 4.22 1uwyA1 GLN 301 H -0.08 0.16 0.24 -0.55 8.47 8.24 1uwyA1 GLN 301 HA -0.04 0.22 1.00 -0.75 4.36 4.78 1uwyA1 GLN 301 HB2 -0.36 0.10 -0.10 -0.04 2.15 1.74 1uwyA1 GLN 301 HB3 -0.12 -0.03 -0.11 -0.04 2.02 1.72 1uwyA1 GLN 301 HG2 -0.09 -0.12 -0.06 -0.04 2.40 2.09 1uwyA1 GLN 301 HG3 -0.38 -0.02 -0.09 -0.04 2.39 1.86 1uwyA1 GLN 301 HE21 0.13 0.01 -0.04 -0.04 6.97 7.03 1uwyA1 GLN 301 HE22 0.20 -0.04 -0.06 -0.04 7.69 7.75 1uwyA1 VAL 302 H -0.27 0.64 0.24 -0.55 8.24 8.30 1uwyA1 VAL 302 HA -0.31 0.16 1.16 -0.75 4.13 4.38 1uwyA1 VAL 302 HB -0.14 0.14 0.20 -0.04 2.12 2.27 1uwyA1 VAL 302 HG13 -0.14 -0.03 -0.21 -0.04 0.97 0.55 1uwyA1 VAL 302 HG23 -0.19 -0.02 -0.19 -0.04 0.95 0.50 1uwyA1 PHE 303 H -0.06 0.67 0.36 -0.55 8.34 8.76 1uwyA1 PHE 303 HA -0.04 0.29 1.13 -0.75 4.62 5.25 1uwyA1 PHE 303 HB2 -0.05 0.11 -0.08 -0.04 3.15 3.09 1uwyA1 PHE 303 HB3 -0.03 -0.17 -0.31 -0.04 3.06 2.51 1uwyA1 PHE 303 HD2 -0.02 0.05 -0.27 -0.04 7.28 7.00 1uwyA1 PHE 303 HE2 -0.00 -0.00 -0.13 -0.04 7.38 7.21 1uwyA1 PHE 303 HZ -0.00 -0.02 -0.10 -0.04 7.32 7.16 1uwyA1 ASP 304 H 0.10 0.25 0.24 -0.55 8.40 8.44 1uwyA1 ASP 304 HA -0.12 0.16 0.60 -0.75 4.63 4.51 1uwyA1 ASP 304 HB2 0.03 0.07 0.47 -0.04 2.71 3.24 1uwyA1 ASP 304 HB3 0.03 -0.00 0.17 -0.04 2.70 2.85 1uwyA1 GLN 305 H -0.04 0.83 0.34 -0.55 8.47 9.05 1uwyA1 GLN 305 HA -0.06 0.15 0.33 -0.75 4.36 4.03 1uwyA1 GLN 305 HB2 0.00 -0.08 -0.03 -0.04 2.15 2.00 1uwyA1 GLN 305 HB3 -0.02 -0.02 0.04 -0.04 2.02 1.98 1uwyA1 GLN 305 HG2 -0.09 0.16 0.07 -0.04 2.40 2.50 1uwyA1 GLN 305 HG3 -0.00 -0.02 -0.23 -0.04 2.39 2.10 1uwyA1 GLN 305 HE21 -0.06 -0.00 0.02 -0.04 6.97 6.88 1uwyA1 GLN 305 HE22 -0.08 -0.33 0.08 -0.04 7.69 7.31 1uwyA1 ASN 306 H -0.00 -0.00 -0.48 -0.55 8.53 7.50 1uwyA1 ASN 306 HA -0.03 0.19 0.68 -0.75 4.76 4.85 1uwyA1 ASN 306 HB2 0.01 -0.02 -0.04 -0.04 2.88 2.78 1uwyA1 ASN 306 HB3 -0.01 0.04 0.11 -0.04 2.79 2.89 1uwyA1 ASN 306 HD21 0.02 -0.00 -0.04 -0.04 7.03 6.97 1uwyA1 ASN 306 HD22 0.02 0.02 -0.02 -0.04 7.74 7.71 1uwyA1 GLY 307 H -0.06 0.38 -0.46 -0.55 8.43 7.74 1uwyA1 GLY 307 HA2 -0.29 0.05 0.22 -0.51 4.01 3.48 1uwyA1 GLY 307 HA3 -0.25 0.03 0.27 -0.51 4.01 3.54 1uwyA1 ASN 308 H 0.10 -0.02 -0.12 -0.55 8.53 7.94 1uwyA1 ASN 308 HA 0.13 0.32 0.98 -0.75 4.76 5.44 1uwyA1 ASN 308 HB2 0.06 -0.22 -0.00 -0.04 2.88 2.68 1uwyA1 ASN 308 HB3 0.07 0.09 -0.06 -0.04 2.79 2.85 1uwyA1 ASN 308 HD21 0.01 0.02 -0.05 -0.04 7.03 6.97 1uwyA1 ASN 308 HD22 0.02 -0.15 -0.08 -0.04 7.74 7.49 1uwyA1 PRO 309 HA -0.04 0.27 0.44 -0.51 4.44 4.61 1uwyA1 PRO 309 HB2 0.03 0.03 -0.35 -0.04 2.28 1.94 1uwyA1 PRO 309 HB3 0.06 0.01 -0.02 -0.04 2.02 2.03 1uwyA1 PRO 309 HG2 0.09 0.02 0.09 -0.04 2.03 2.19 1uwyA1 PRO 309 HG3 0.15 0.02 0.04 -0.04 2.03 2.20 1uwyA1 PRO 309 HD2 0.15 0.08 0.21 -0.04 3.68 4.08 1uwyA1 PRO 309 HD3 0.35 0.13 0.09 -0.04 3.65 4.18 1uwyA1 LEU 310 H -0.04 0.59 0.48 -0.55 8.37 8.85 1uwyA1 LEU 310 HA 0.01 0.07 0.73 -0.75 4.35 4.41 1uwyA1 LEU 310 HB2 -0.02 -0.01 0.14 -0.04 1.64 1.71 1uwyA1 LEU 310 HB3 0.01 0.00 0.09 -0.04 1.64 1.71 1uwyA1 LEU 310 HG -0.01 0.03 0.04 -0.04 1.64 1.66 1uwyA1 LEU 310 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.71 1uwyA1 LEU 310 HD23 0.04 -0.03 0.03 -0.04 0.89 0.89 1uwyA1 PRO 311 HA -0.03 0.13 0.58 -0.51 4.44 4.61 1uwyA1 PRO 311 HB2 -0.05 -0.08 0.03 -0.04 2.28 2.14 1uwyA1 PRO 311 HB3 -0.06 0.13 0.10 -0.04 2.02 2.15 1uwyA1 PRO 311 HG2 -0.02 -0.00 -0.08 -0.04 2.03 1.89 1uwyA1 PRO 311 HG3 -0.03 0.02 0.07 -0.04 2.03 2.04 1uwyA1 PRO 311 HD2 0.00 -0.01 0.25 -0.04 3.68 3.88 1uwyA1 PRO 311 HD3 -0.00 0.38 0.19 -0.04 3.65 4.17 1uwyA1 ASN 312 H -0.03 0.25 -0.03 -0.55 8.53 8.17 1uwyA1 ASN 312 HA -0.01 0.13 0.35 -0.75 4.76 4.48 1uwyA1 ASN 312 HB2 -0.01 -0.08 -0.06 -0.04 2.88 2.69 1uwyA1 ASN 312 HB3 -0.00 0.07 -0.07 -0.04 2.79 2.75 1uwyA1 ASN 312 HD21 -0.00 -0.02 0.07 -0.04 7.03 7.04 1uwyA1 ASN 312 HD22 -0.01 -0.03 0.10 -0.04 7.74 7.75 1uwyA1 VAL 313 H -0.01 0.04 -0.71 -0.55 8.24 7.01 1uwyA1 VAL 313 HA 0.01 0.12 0.65 -0.75 4.13 4.15 1uwyA1 VAL 313 HB -0.03 0.02 -0.06 -0.04 2.12 2.02 1uwyA1 VAL 313 HG13 -0.02 0.00 -0.36 -0.04 0.97 0.56 1uwyA1 VAL 313 HG23 0.00 0.03 -0.05 -0.04 0.95 0.89 1uwyA1 ILE 314 H 0.02 0.46 0.21 -0.55 8.25 8.38 1uwyA1 ILE 314 HA 0.03 0.27 0.83 -0.75 4.18 4.56 1uwyA1 ILE 314 HB 0.02 0.06 0.23 -0.04 1.89 2.16 1uwyA1 ILE 314 HG12 0.04 0.08 -0.29 -0.04 1.49 1.28 1uwyA1 ILE 314 HG13 0.03 0.01 -0.11 -0.04 1.21 1.10 1uwyA1 ILE 314 HG23 0.03 -0.00 -0.19 -0.04 0.93 0.73 1uwyA1 ILE 314 HD13 0.02 -0.02 -0.04 -0.04 0.88 0.80 1uwyA1 VAL 315 H 0.05 0.65 0.16 -0.55 8.24 8.55 1uwyA1 VAL 315 HA -0.06 0.21 0.89 -0.75 4.13 4.42 1uwyA1 VAL 315 HB -0.04 0.01 -0.02 -0.04 2.12 2.03 1uwyA1 VAL 315 HG13 -0.58 -0.02 -0.27 -0.04 0.97 0.06 1uwyA1 VAL 315 HG23 -0.16 0.01 -0.41 -0.04 0.95 0.35 1uwyA1 GLU 316 H 0.01 0.41 0.09 -0.55 8.60 8.57 1uwyA1 GLU 316 HA 0.10 0.16 0.55 -0.75 4.29 4.35 1uwyA1 GLU 316 HB2 0.06 0.04 0.11 -0.04 2.09 2.26 1uwyA1 GLU 316 HB3 0.16 0.10 0.13 -0.04 1.99 2.34 1uwyA1 GLU 316 HG2 0.05 -0.02 -0.13 -0.04 2.34 2.20 1uwyA1 GLU 316 HG3 0.01 0.05 -0.13 -0.04 2.34 2.22 1uwyA1 VAL 317 H 0.06 0.16 0.10 -0.55 8.24 8.02 1uwyA1 VAL 317 HA 0.05 0.14 0.56 -0.75 4.13 4.13 1uwyA1 VAL 317 HB 0.08 -0.04 0.04 -0.04 2.12 2.16 1uwyA1 VAL 317 HG13 0.24 -0.04 0.06 -0.04 0.97 1.19 1uwyA1 VAL 317 HG23 -0.00 0.03 -0.00 -0.04 0.95 0.93 1uwyA1 GLN 318 H 0.06 0.62 0.36 -0.55 8.47 8.96 1uwyA1 GLN 318 HA 0.01 0.08 0.30 -0.75 4.36 3.99 1uwyA1 GLN 318 HB2 0.02 0.06 0.14 -0.04 2.15 2.33 1uwyA1 GLN 318 HB3 0.03 -0.10 0.16 -0.04 2.02 2.06 1uwyA1 GLN 318 HG2 0.00 0.02 -0.02 -0.04 2.40 2.36 1uwyA1 GLN 318 HG3 0.00 -0.03 -0.03 -0.04 2.39 2.30 1uwyA1 GLN 318 HE21 -0.00 -0.01 -0.12 -0.04 6.97 6.80 1uwyA1 GLN 318 HE22 -0.00 0.01 -0.05 -0.04 7.69 7.61 1uwyA1 ASP 319 H 0.04 0.05 -0.10 -0.55 8.40 7.83 1uwyA1 ASP 319 HA -0.01 0.23 0.82 -0.75 4.63 4.92 1uwyA1 ASP 319 HB2 0.01 0.03 0.20 -0.04 2.71 2.91 1uwyA1 ASP 319 HB3 0.01 -0.02 0.04 -0.04 2.70 2.70 1uwyA1 ARG 320 H -0.02 0.46 -0.45 -0.55 8.46 7.90 1uwyA1 ARG 320 HA -0.09 0.22 0.88 -0.75 4.34 4.60 1uwyA1 ARG 320 HB2 -0.01 -0.06 0.08 -0.04 1.90 1.88 1uwyA1 ARG 320 HB3 -0.13 -0.00 0.14 -0.04 1.80 1.77 1uwyA1 ARG 320 HG2 0.04 0.16 -0.09 -0.04 1.67 1.74 1uwyA1 ARG 320 HG3 0.07 -0.11 -0.22 -0.04 1.67 1.37 1uwyA1 ARG 320 HD2 0.11 -0.06 -0.02 -0.04 3.22 3.21 1uwyA1 ARG 320 HD3 0.11 0.03 -0.01 -0.04 3.22 3.30 1uwyA1 LYS 321 H -0.11 0.15 -0.22 -0.55 8.42 7.68 1uwyA1 LYS 321 HA -0.17 0.03 0.55 -0.75 4.32 3.97 1uwyA1 LYS 321 HB2 -0.09 -0.01 0.02 -0.04 1.87 1.75 1uwyA1 LYS 321 HB3 -0.08 0.07 0.03 -0.04 1.79 1.77 1uwyA1 LYS 321 HG2 -0.05 0.05 -0.05 -0.04 1.46 1.37 1uwyA1 LYS 321 HG3 -0.05 -0.05 -0.00 -0.04 1.46 1.32 1uwyA1 LYS 321 HD2 -0.03 -0.03 0.00 -0.04 1.69 1.59 1uwyA1 LYS 321 HD3 -0.03 0.00 -0.00 -0.04 1.68 1.61 1uwyA1 LYS 321 HE2 -0.01 -0.07 0.01 -0.04 2.99 2.88 1uwyA1 LYS 321 HE3 -0.01 0.05 0.03 -0.04 2.99 3.01 1uwyA1 HIS 322 H -0.18 0.07 0.16 -0.55 8.41 7.91 1uwyA1 HIS 322 HA -0.17 0.05 0.62 -0.75 4.63 4.37 1uwyA1 HIS 322 HB2 -0.38 0.01 -0.03 -0.04 3.26 2.82 1uwyA1 HIS 322 HB3 -0.46 0.03 0.08 -0.04 3.20 2.81 1uwyA1 HIS 322 HD2 -0.56 -0.07 0.05 -0.04 6.97 6.35 1uwyA1 HIS 322 HE1 -0.21 -0.06 0.10 -0.04 7.75 7.54 1uwyA1 ILE 323 H -0.19 0.06 0.09 -0.55 8.25 7.67 1uwyA1 ILE 323 HA -0.34 0.09 0.32 -0.75 4.18 3.50 1uwyA1 ILE 323 HB -1.13 -0.03 0.11 -0.04 1.89 0.81 1uwyA1 ILE 323 HG12 -0.85 -0.20 -0.06 -0.04 1.49 0.33 1uwyA1 ILE 323 HG13 -0.44 0.08 -0.18 -0.04 1.21 0.62 1uwyA1 ILE 323 HG23 -0.50 0.01 0.09 -0.04 0.93 0.48 1uwyA1 ILE 323 HD13 -0.52 0.04 -0.10 -0.04 0.88 0.26 1uwyA1 CYS 324 H -0.27 0.12 -0.07 -0.55 8.50 7.73 1uwyA1 CYS 324 HA -0.11 0.15 0.70 -0.75 4.58 4.58 1uwyA1 CYS 324 HB2 -0.29 -0.15 0.00 -0.04 2.97 2.50 1uwyA1 CYS 324 HB3 -0.20 0.23 0.19 -0.04 2.97 3.14 1uwyA1 PRO 325 HA 0.04 -0.13 0.44 -0.51 4.44 4.28 1uwyA1 PRO 325 HB2 0.04 0.02 -0.08 -0.04 2.28 2.21 1uwyA1 PRO 325 HB3 -0.00 0.03 0.06 -0.04 2.02 2.07 1uwyA1 PRO 325 HG2 0.02 0.03 0.04 -0.04 2.03 2.08 1uwyA1 PRO 325 HG3 -0.00 0.01 0.05 -0.04 2.03 2.04 1uwyA1 PRO 325 HD2 -0.03 0.06 0.21 -0.04 3.68 3.88 1uwyA1 PRO 325 HD3 -0.05 0.32 0.14 -0.04 3.65 4.02 1uwyA1 TYR 326 H 0.17 0.03 0.17 -0.55 8.29 8.11 1uwyA1 TYR 326 HA -0.07 0.09 0.56 -0.75 4.56 4.38 1uwyA1 TYR 326 HB2 0.03 -0.08 0.22 -0.04 3.06 3.19 1uwyA1 TYR 326 HB3 -0.03 0.11 0.07 -0.04 2.98 3.10 1uwyA1 TYR 326 HD2 -0.15 0.01 -0.02 -0.04 7.15 6.95 1uwyA1 TYR 326 HE2 -0.21 0.03 0.05 -0.04 6.85 6.68 1uwyA1 ARG 327 H 0.01 0.15 0.22 -0.55 8.46 8.29 1uwyA1 ARG 327 HA 0.04 0.20 1.11 -0.75 4.34 4.93 1uwyA1 ARG 327 HB2 -0.00 -0.06 0.04 -0.04 1.90 1.83 1uwyA1 ARG 327 HB3 0.01 -0.07 -0.17 -0.04 1.80 1.52 1uwyA1 ARG 327 HG2 0.03 -0.04 -0.44 -0.04 1.67 1.18 1uwyA1 ARG 327 HG3 0.04 0.11 -0.28 -0.04 1.67 1.50 1uwyA1 ARG 327 HD2 0.01 -0.07 -0.01 -0.04 3.22 3.10 1uwyA1 ARG 327 HD3 0.01 0.11 -0.04 -0.04 3.22 3.27 1uwyA1 THR 328 H 0.00 0.49 0.16 -0.55 8.28 8.38 1uwyA1 THR 328 HA 0.04 0.19 0.57 -0.75 4.39 4.43 1uwyA1 THR 328 HB -0.00 -0.12 -0.10 -0.04 4.32 4.05 1uwyA1 THR 328 HG23 0.01 0.01 -0.21 -0.04 1.22 0.99 1uwyA1 ASN 329 H 0.01 0.41 0.19 -0.55 8.53 8.60 1uwyA1 ASN 329 HA -0.05 0.29 0.83 -0.75 4.76 5.07 1uwyA1 ASN 329 HB2 -0.06 -0.08 0.21 -0.04 2.88 2.92 1uwyA1 ASN 329 HB3 -0.03 0.18 0.10 -0.04 2.79 3.00 1uwyA1 ASN 329 HD21 0.28 -0.01 -0.03 -0.04 7.03 7.23 1uwyA1 ASN 329 HD22 0.03 0.08 0.02 -0.04 7.74 7.83 1uwyA1 LYS 330 H -0.17 0.24 0.18 -0.55 8.42 8.11 1uwyA1 LYS 330 HA -0.16 0.10 0.44 -0.75 4.32 3.94 1uwyA1 LYS 330 HB2 -0.31 0.04 0.13 -0.04 1.87 1.69 1uwyA1 LYS 330 HB3 -0.23 0.05 0.17 -0.04 1.79 1.74 1uwyA1 LYS 330 HG2 -0.60 -0.05 0.09 -0.04 1.46 0.85 1uwyA1 LYS 330 HG3 -1.80 0.04 -0.24 -0.04 1.46 -0.58 1uwyA1 LYS 330 HD2 -0.39 0.01 -0.01 -0.04 1.69 1.26 1uwyA1 LYS 330 HD3 -0.38 0.00 -0.01 -0.04 1.68 1.25 1uwyA1 LYS 330 HE2 -0.14 -0.01 0.04 -0.04 2.99 2.84 1uwyA1 LYS 330 HE3 -0.12 0.04 0.04 -0.04 2.99 2.91 1uwyA1 TYR 331 H -0.15 0.02 -0.36 -0.55 8.29 7.24 1uwyA1 TYR 331 HA 0.02 0.25 0.68 -0.75 4.56 4.76 1uwyA1 TYR 331 HB2 0.07 -0.06 0.04 -0.04 3.06 3.07 1uwyA1 TYR 331 HB3 0.05 0.03 0.15 -0.04 2.98 3.17 1uwyA1 TYR 331 HD2 0.09 0.02 -0.02 -0.04 7.15 7.20 1uwyA1 TYR 331 HE2 0.11 0.03 -0.03 -0.04 6.85 6.91 1uwyA1 GLY 332 H -0.03 0.69 -0.60 -0.55 8.43 7.94 1uwyA1 GLY 332 HA2 -0.03 0.14 0.23 -0.51 4.01 3.83 1uwyA1 GLY 332 HA3 -0.06 0.01 0.15 -0.51 4.01 3.61 1uwyA1 GLU 333 H 0.05 -0.13 -0.70 -0.55 8.60 7.28 1uwyA1 GLU 333 HA -0.06 0.09 0.99 -0.75 4.29 4.55 1uwyA1 GLU 333 HB2 -0.28 0.12 0.09 -0.04 2.09 1.99 1uwyA1 GLU 333 HB3 -0.04 -0.03 -0.01 -0.04 1.99 1.88 1uwyA1 GLU 333 HG2 0.13 -0.22 -0.04 -0.04 2.34 2.18 1uwyA1 GLU 333 HG3 0.04 0.07 -0.18 -0.04 2.34 2.23 1uwyA1 TYR 334 H -0.32 0.90 0.45 -0.55 8.29 8.77 1uwyA1 TYR 334 HA -0.06 0.15 0.81 -0.75 4.56 4.71 1uwyA1 TYR 334 HB2 -0.04 0.10 -0.07 -0.04 3.06 3.01 1uwyA1 TYR 334 HB3 -0.08 -0.00 -0.27 -0.04 2.98 2.58 1uwyA1 TYR 334 HD2 -0.09 0.02 -0.37 -0.04 7.15 6.67 1uwyA1 TYR 334 HE2 -0.08 0.02 -0.27 -0.04 6.85 6.49 1uwyA1 TYR 335 H 0.11 0.31 0.17 -0.55 8.29 8.33 1uwyA1 TYR 335 HA -0.26 0.22 1.09 -0.75 4.56 4.85 1uwyA1 TYR 335 HB2 -0.13 0.03 0.14 -0.04 3.06 3.07 1uwyA1 TYR 335 HB3 -0.15 0.05 0.04 -0.04 2.98 2.88 1uwyA1 TYR 335 HD2 -0.12 0.04 -0.06 -0.04 7.15 6.98 1uwyA1 TYR 335 HE2 -0.05 0.05 -0.10 -0.04 6.85 6.71 1uwyA1 LEU 336 H -0.03 0.65 0.21 -0.55 8.37 8.65 1uwyA1 LEU 336 HA 0.04 0.20 0.98 -0.75 4.35 4.82 1uwyA1 LEU 336 HB2 0.03 -0.05 0.09 -0.04 1.64 1.67 1uwyA1 LEU 336 HB3 0.04 -0.05 -0.03 -0.04 1.64 1.55 1uwyA1 LEU 336 HG 0.30 -0.05 -0.46 -0.04 1.64 1.40 1uwyA1 LEU 336 HD13 0.13 -0.02 -0.20 -0.04 0.93 0.79 1uwyA1 LEU 336 HD23 0.24 0.17 0.08 -0.04 0.89 1.34 1uwyA1 LEU 337 H -0.30 0.18 0.07 -0.55 8.37 7.78 1uwyA1 LEU 337 HA -0.22 0.26 0.40 -0.75 4.35 4.03 1uwyA1 LEU 337 HB2 -0.93 -0.09 0.13 -0.04 1.64 0.71 1uwyA1 LEU 337 HB3 -0.41 0.00 -0.00 -0.04 1.64 1.19 1uwyA1 LEU 337 HG -0.53 0.02 0.07 -0.04 1.64 1.16 1uwyA1 LEU 337 HD13 -0.78 -0.01 0.00 -0.04 0.93 0.10 1uwyA1 LEU 337 HD23 -0.25 0.04 -0.04 -0.04 0.89 0.61 1uwyA1 LEU 338 H -0.17 0.24 -0.04 -0.55 8.37 7.85 1uwyA1 LEU 338 HA -0.11 0.07 0.72 -0.75 4.35 4.26 1uwyA1 LEU 338 HB2 -0.33 -0.06 0.02 -0.04 1.64 1.23 1uwyA1 LEU 338 HB3 -0.51 0.03 0.04 -0.04 1.64 1.16 1uwyA1 LEU 338 HG -0.21 0.14 -0.53 -0.04 1.64 1.00 1uwyA1 LEU 338 HD13 -1.01 -0.03 -0.07 -0.04 0.93 -0.23 1uwyA1 LEU 338 HD23 -0.11 0.03 -0.01 -0.04 0.89 0.77 1uwyA1 LEU 339 H 0.04 0.07 0.08 -0.55 8.37 8.00 1uwyA1 LEU 339 HA -0.16 0.20 0.78 -0.75 4.35 4.42 1uwyA1 LEU 339 HB2 0.04 -0.05 0.01 -0.04 1.64 1.59 1uwyA1 LEU 339 HB3 -0.06 0.11 0.05 -0.04 1.64 1.71 1uwyA1 LEU 339 HG -0.08 -0.14 -0.14 -0.04 1.64 1.24 1uwyA1 LEU 339 HD13 -0.00 0.02 -0.13 -0.04 0.93 0.78 1uwyA1 LEU 339 HD23 -0.56 0.04 -0.11 -0.04 0.89 0.22 1uwyA1 PRO 340 HA 0.06 0.17 0.42 -0.51 4.44 4.58 1uwyA1 PRO 340 HB2 0.01 -0.04 0.16 -0.04 2.28 2.37 1uwyA1 PRO 340 HB3 0.02 0.14 0.08 -0.04 2.02 2.22 1uwyA1 PRO 340 HG2 -0.01 0.03 0.05 -0.04 2.03 2.06 1uwyA1 PRO 340 HG3 -0.01 -0.01 0.01 -0.04 2.03 1.97 1uwyA1 PRO 340 HD2 -0.07 0.07 0.18 -0.04 3.68 3.81 1uwyA1 PRO 340 HD3 -0.14 0.13 0.21 -0.04 3.65 3.81 1uwyA1 GLY 341 H 0.16 0.34 0.41 -0.55 8.43 8.80 1uwyA1 GLY 341 HA2 -0.04 -0.00 0.41 -0.51 4.01 3.86 1uwyA1 GLY 341 HA3 -0.14 0.07 0.46 -0.51 4.01 3.89 1uwyA1 SER 342 H -0.19 0.14 0.19 -0.55 8.46 8.06 1uwyA1 SER 342 HA 0.02 0.08 0.98 -0.75 4.49 4.81 1uwyA1 SER 342 HB2 -0.10 -0.02 0.18 -0.04 3.95 3.97 1uwyA1 SER 342 HB3 -0.04 0.05 0.02 -0.04 3.93 3.92 1uwyA1 TYR 343 H 0.21 0.87 0.48 -0.55 8.29 9.30 1uwyA1 TYR 343 HA 0.01 0.20 1.05 -0.75 4.56 5.06 1uwyA1 TYR 343 HB2 0.02 0.06 0.03 -0.04 3.06 3.13 1uwyA1 TYR 343 HB3 0.02 -0.14 0.09 -0.04 2.98 2.90 1uwyA1 TYR 343 HD2 0.01 0.00 0.01 -0.04 7.15 7.13 1uwyA1 TYR 343 HE2 0.00 0.06 -0.01 -0.04 6.85 6.86 1uwyA1 ILE 344 H 0.17 0.22 0.17 -0.55 8.25 8.26 1uwyA1 ILE 344 HA 0.04 0.12 0.81 -0.75 4.18 4.40 1uwyA1 ILE 344 HB 0.03 -0.09 0.14 -0.04 1.89 1.93 1uwyA1 ILE 344 HG12 0.01 0.02 -0.03 -0.04 1.49 1.45 1uwyA1 ILE 344 HG13 0.01 0.01 -0.52 -0.04 1.21 0.67 1uwyA1 ILE 344 HG23 -0.00 0.00 -0.21 -0.04 0.93 0.69 1uwyA1 ILE 344 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.78 1uwyA1 ILE 345 H 0.02 0.74 0.26 -0.55 8.25 8.71 1uwyA1 ILE 345 HA 0.02 0.10 0.85 -0.75 4.18 4.40 1uwyA1 ILE 345 HB -0.04 0.08 -0.01 -0.04 1.89 1.89 1uwyA1 ILE 345 HG12 0.04 -0.08 -0.33 -0.04 1.49 1.08 1uwyA1 ILE 345 HG13 0.05 -0.03 -0.19 -0.04 1.21 1.01 1uwyA1 ILE 345 HG23 -0.09 0.00 -0.39 -0.04 0.93 0.40 1uwyA1 ILE 345 HD13 0.07 0.02 -0.23 -0.04 0.88 0.70 1uwyA1 ASN 346 H -0.00 0.70 0.18 -0.55 8.53 8.86 1uwyA1 ASN 346 HA -0.01 0.21 0.78 -0.75 4.76 4.99 1uwyA1 ASN 346 HB2 0.00 0.06 0.09 -0.04 2.88 2.99 1uwyA1 ASN 346 HB3 0.01 -0.02 -0.13 -0.04 2.79 2.61 1uwyA1 ASN 346 HD21 0.00 -0.08 -0.04 -0.04 7.03 6.87 1uwyA1 ASN 346 HD22 0.00 0.13 -0.10 -0.04 7.74 7.73 1uwyA1 VAL 347 H 0.03 0.97 0.18 -0.55 8.24 8.87 1uwyA1 VAL 347 HA -0.03 0.28 0.74 -0.75 4.13 4.36 1uwyA1 VAL 347 HB 0.09 -0.09 0.15 -0.04 2.12 2.24 1uwyA1 VAL 347 HG13 -0.08 -0.01 -0.18 -0.04 0.97 0.66 1uwyA1 VAL 347 HG23 -0.05 0.04 -0.16 -0.04 0.95 0.73 1uwyA1 THR 348 H 0.02 0.69 0.22 -0.55 8.28 8.66 1uwyA1 THR 348 HA 0.10 0.13 0.90 -0.75 4.39 4.76 1uwyA1 THR 348 HB 0.03 0.01 0.14 -0.04 4.32 4.46 1uwyA1 THR 348 HG23 0.05 0.01 -0.18 -0.04 1.22 1.06 1uwyA1 VAL 349 H 0.14 0.22 -0.05 -0.55 8.24 8.00 1uwyA1 VAL 349 HA 0.05 0.12 0.67 -0.75 4.13 4.22 1uwyA1 VAL 349 HB 0.06 -0.02 -0.05 -0.04 2.12 2.06 1uwyA1 VAL 349 HG13 0.22 -0.01 -0.06 -0.04 0.97 1.07 1uwyA1 VAL 349 HG23 0.08 0.04 -0.25 -0.04 0.95 0.78 1uwyA1 PRO 350 HA 0.05 -0.09 0.35 -0.51 4.44 4.24 1uwyA1 PRO 350 HB2 0.05 0.01 0.06 -0.04 2.28 2.36 1uwyA1 PRO 350 HB3 0.03 -0.00 0.05 -0.04 2.02 2.05 1uwyA1 PRO 350 HG2 0.03 0.08 0.02 -0.04 2.03 2.11 1uwyA1 PRO 350 HG3 0.03 0.06 0.08 -0.04 2.03 2.16 1uwyA1 PRO 350 HD2 0.05 0.08 0.13 -0.04 3.68 3.89 1uwyA1 PRO 350 HD3 0.04 0.18 0.29 -0.04 3.65 4.12 1uwyA1 GLY 351 H 0.01 0.08 0.14 -0.55 8.43 8.12 1uwyA1 GLY 351 HA2 -0.07 -0.04 0.34 -0.51 4.01 3.73 1uwyA1 GLY 351 HA3 -0.09 0.03 0.41 -0.51 4.01 3.85 1uwyA1 HIS 352 H 0.04 0.15 -0.01 -0.55 8.41 8.05 1uwyA1 HIS 352 HA -0.12 0.05 0.65 -0.75 4.63 4.45 1uwyA1 HIS 352 HB2 -0.02 0.38 -0.08 -0.04 3.26 3.50 1uwyA1 HIS 352 HB3 -0.08 0.01 0.01 -0.04 3.20 3.10 1uwyA1 HIS 352 HD2 -0.91 -0.10 0.07 -0.04 6.97 5.99 1uwyA1 HIS 352 HE1 -0.22 -0.01 0.06 -0.04 7.75 7.54 1uwyA1 ASP 353 H 0.08 0.09 0.12 -0.55 8.40 8.14 1uwyA1 ASP 353 HA 0.05 0.08 0.53 -0.75 4.63 4.53 1uwyA1 ASP 353 HB2 0.10 -0.06 0.14 -0.04 2.71 2.85 1uwyA1 ASP 353 HB3 0.09 0.12 -0.03 -0.04 2.70 2.84 1uwyA1 PRO 354 HA 0.10 0.13 0.39 -0.51 4.44 4.54 1uwyA1 PRO 354 HB2 0.03 -0.01 -0.19 -0.04 2.28 2.06 1uwyA1 PRO 354 HB3 0.04 0.04 -0.05 -0.04 2.02 2.01 1uwyA1 PRO 354 HG2 0.03 -0.03 0.05 -0.04 2.03 2.04 1uwyA1 PRO 354 HG3 0.02 0.03 0.03 -0.04 2.03 2.07 1uwyA1 PRO 354 HD2 0.04 0.00 0.23 -0.04 3.68 3.91 1uwyA1 PRO 354 HD3 0.04 0.17 0.18 -0.04 3.65 4.00 1uwyA1 HIS 355 H 0.17 1.29 0.37 -0.55 8.41 9.69 1uwyA1 HIS 355 HA 0.05 0.07 0.83 -0.75 4.63 4.83 1uwyA1 HIS 355 HB2 0.05 0.01 0.13 -0.04 3.26 3.41 1uwyA1 HIS 355 HB3 -0.02 -0.06 0.21 -0.04 3.20 3.29 1uwyA1 HIS 355 HD2 -0.07 -0.11 -0.28 -0.04 6.97 6.46 1uwyA1 HIS 355 HE1 -0.03 -0.07 0.07 -0.04 7.75 7.68 1uwyA1 ILE 356 H -0.35 0.12 0.18 -0.55 8.25 7.65 1uwyA1 ILE 356 HA -0.10 0.22 0.65 -0.75 4.18 4.19 1uwyA1 ILE 356 HB -0.19 -0.02 0.11 -0.04 1.89 1.75 1uwyA1 ILE 356 HG12 -0.05 0.03 -0.07 -0.04 1.49 1.35 1uwyA1 ILE 356 HG13 -0.07 0.06 -0.02 -0.04 1.21 1.13 1uwyA1 ILE 356 HG23 -0.07 -0.03 -0.17 -0.04 0.93 0.62 1uwyA1 ILE 356 HD13 -0.04 -0.01 -0.03 -0.04 0.88 0.76 1uwyA1 THR 357 H -0.06 0.35 0.13 -0.55 8.28 8.15 1uwyA1 THR 357 HA -0.03 0.04 0.53 -0.75 4.39 4.18 1uwyA1 THR 357 HB 0.03 0.03 -0.19 -0.04 4.32 4.15 1uwyA1 THR 357 HG23 0.01 -0.01 -0.20 -0.04 1.22 0.98 1uwyA1 LYS 358 H -0.00 0.15 0.13 -0.55 8.42 8.14 1uwyA1 LYS 358 HA 0.03 0.08 0.94 -0.75 4.32 4.62 1uwyA1 LYS 358 HB2 0.00 -0.05 0.09 -0.04 1.87 1.86 1uwyA1 LYS 358 HB3 0.01 -0.02 0.09 -0.04 1.79 1.83 1uwyA1 LYS 358 HG2 0.03 -0.03 -0.13 -0.04 1.46 1.29 1uwyA1 LYS 358 HG3 0.02 0.27 0.17 -0.04 1.46 1.89 1uwyA1 LYS 358 HD2 0.01 -0.03 -0.05 -0.04 1.69 1.57 1uwyA1 LYS 358 HD3 0.00 -0.01 -0.07 -0.04 1.68 1.57 1uwyA1 LYS 358 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.91 1uwyA1 LYS 358 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 1uwyA1 VAL 359 H 0.08 0.54 0.18 -0.55 8.24 8.49 1uwyA1 VAL 359 HA 0.05 0.12 0.74 -0.75 4.13 4.29 1uwyA1 VAL 359 HB 0.09 -0.07 -0.11 -0.04 2.12 1.99 1uwyA1 VAL 359 HG13 0.07 -0.00 -0.35 -0.04 0.97 0.65 1uwyA1 VAL 359 HG23 0.06 0.01 -0.36 -0.04 0.95 0.62 1uwyA1 ILE 360 H 0.05 0.22 0.12 -0.55 8.25 8.09 1uwyA1 ILE 360 HA 0.07 0.04 0.82 -0.75 4.18 4.36 1uwyA1 ILE 360 HB 0.03 -0.01 0.16 -0.04 1.89 2.04 1uwyA1 ILE 360 HG12 0.01 -0.01 0.01 -0.04 1.49 1.46 1uwyA1 ILE 360 HG13 0.02 -0.04 -0.06 -0.04 1.21 1.10 1uwyA1 ILE 360 HG23 0.03 0.00 -0.27 -0.04 0.93 0.65 1uwyA1 ILE 360 HD13 0.01 0.01 -0.02 -0.04 0.88 0.83 1uwyA1 ILE 361 H 0.18 0.65 0.22 -0.55 8.25 8.75 1uwyA1 ILE 361 HA 0.06 0.16 0.72 -0.75 4.18 4.36 1uwyA1 ILE 361 HB 0.22 -0.01 0.26 -0.04 1.89 2.32 1uwyA1 ILE 361 HG12 0.02 0.03 -0.20 -0.04 1.49 1.29 1uwyA1 ILE 361 HG13 0.20 0.02 -0.06 -0.04 1.21 1.33 1uwyA1 ILE 361 HG23 0.01 -0.00 -0.19 -0.04 0.93 0.71 1uwyA1 ILE 361 HD13 -0.27 -0.02 -0.06 -0.04 0.88 0.49 1uwyA1 PRO 362 HA 0.02 0.03 0.20 -0.51 4.44 4.18 1uwyA1 PRO 362 HB2 0.02 -0.05 0.04 -0.04 2.28 2.24 1uwyA1 PRO 362 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 1uwyA1 PRO 362 HG2 0.01 0.07 0.07 -0.04 2.03 2.15 1uwyA1 PRO 362 HG3 0.01 0.04 0.13 -0.04 2.03 2.18 1uwyA1 PRO 362 HD2 0.02 0.11 0.12 -0.04 3.68 3.89 1uwyA1 PRO 362 HD3 0.03 0.34 0.37 -0.04 3.65 4.35 1uwyA1 GLU 363 H 0.02 -0.05 0.14 -0.55 8.60 8.17 1uwyA1 GLU 363 HA 0.02 0.06 0.36 -0.75 4.29 3.97 1uwyA1 GLU 363 HB2 0.01 -0.04 -0.46 -0.04 2.09 1.57 1uwyA1 GLU 363 HB3 0.01 -0.04 0.19 -0.04 1.99 2.11 1uwyA1 GLU 363 HG2 0.01 0.25 0.29 -0.04 2.34 2.85 1uwyA1 GLU 363 HG3 0.01 -0.09 0.07 -0.04 2.34 2.29 1uwyA1 LYS 364 H 0.02 -0.03 0.05 -0.55 8.42 7.90 1uwyA1 LYS 364 HA 0.03 0.05 0.38 -0.75 4.32 4.02 1uwyA1 LYS 364 HB2 0.02 0.31 0.65 -0.04 1.87 2.81 1uwyA1 LYS 364 HB3 0.01 -0.08 -0.04 -0.04 1.79 1.64 1uwyA1 LYS 364 HG2 0.01 -0.04 -0.02 -0.04 1.46 1.37 1uwyA1 LYS 364 HG3 0.01 0.00 -0.29 -0.04 1.46 1.14 1uwyA1 LYS 364 HD2 0.02 0.01 -0.02 -0.04 1.69 1.66 1uwyA1 LYS 364 HD3 0.04 -0.01 0.07 -0.04 1.68 1.73 1uwyA1 LYS 364 HE2 0.03 0.07 0.07 -0.04 2.99 3.12 1uwyA1 LYS 364 HE3 0.02 -0.04 0.03 -0.04 2.99 2.96 1uwyA1 SER 365 H 0.03 0.23 0.18 -0.55 8.46 8.36 1uwyA1 SER 365 HA -0.00 0.11 0.99 -0.75 4.49 4.83 1uwyA1 SER 365 HB2 0.02 -0.03 0.08 -0.04 3.95 3.98 1uwyA1 SER 365 HB3 0.04 0.14 0.16 -0.04 3.93 4.22 1uwyA1 GLN 366 H -0.04 0.13 0.19 -0.55 8.47 8.21 1uwyA1 GLN 366 HA -0.08 0.14 0.60 -0.75 4.36 4.27 1uwyA1 GLN 366 HB2 -0.07 0.01 0.01 -0.04 2.15 2.06 1uwyA1 GLN 366 HB3 -0.06 -0.00 0.12 -0.04 2.02 2.03 1uwyA1 GLN 366 HG2 -0.03 0.00 0.11 -0.04 2.40 2.44 1uwyA1 GLN 366 HG3 -0.03 -0.01 0.02 -0.04 2.39 2.34 1uwyA1 GLN 366 HE21 -0.01 0.01 -0.19 -0.04 6.97 6.74 1uwyA1 GLN 366 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 1uwyA1 ASN 367 H -0.09 0.03 -0.07 -0.55 8.53 7.85 1uwyA1 ASN 367 HA -0.32 0.19 0.78 -0.75 4.76 4.65 1uwyA1 ASN 367 HB2 -0.10 -0.05 -0.04 -0.04 2.88 2.65 1uwyA1 ASN 367 HB3 -0.08 0.07 -0.00 -0.04 2.79 2.73 1uwyA1 ASN 367 HD21 -0.11 0.12 0.05 -0.04 7.03 7.05 1uwyA1 ASN 367 HD22 -0.31 0.15 0.19 -0.04 7.74 7.73 1uwyA1 PHE 368 H -0.16 0.15 0.00 -0.55 8.34 7.78 1uwyA1 PHE 368 HA -0.22 0.21 0.77 -0.75 4.62 4.62 1uwyA1 PHE 368 HB2 -0.19 0.00 0.10 -0.04 3.15 3.02 1uwyA1 PHE 368 HB3 -0.34 0.08 0.10 -0.04 3.06 2.85 1uwyA1 PHE 368 HD2 -0.04 0.08 -0.29 -0.04 7.28 6.99 1uwyA1 PHE 368 HE2 -0.00 0.09 -0.05 -0.04 7.38 7.38 1uwyA1 PHE 368 HZ 0.01 -0.09 -0.09 -0.04 7.32 7.11 1uwyA1 SER 369 H -0.09 0.33 -0.21 -0.55 8.46 7.94 1uwyA1 SER 369 HA -0.08 0.17 0.60 -0.75 4.49 4.43 1uwyA1 SER 369 HB2 -0.04 0.09 0.01 -0.04 3.95 3.98 1uwyA1 SER 369 HB3 -0.05 -0.18 -0.07 -0.04 3.93 3.59 1uwyA1 ALA 370 H 0.22 0.12 0.03 -0.55 8.40 8.22 1uwyA1 ALA 370 HA 0.07 0.26 0.31 -0.75 4.34 4.22 1uwyA1 ALA 370 HB3 0.05 0.00 -0.33 -0.04 1.41 1.08 1uwyA1 LEU 371 H -0.00 0.95 0.41 -0.55 8.37 9.18 1uwyA1 LEU 371 HA 0.00 0.03 0.66 -0.75 4.35 4.29 1uwyA1 LEU 371 HB2 0.01 -0.02 0.15 -0.04 1.64 1.74 1uwyA1 LEU 371 HB3 -0.00 -0.08 0.10 -0.04 1.64 1.62 1uwyA1 LEU 371 HG 0.01 -0.03 0.11 -0.04 1.64 1.68 1uwyA1 LEU 371 HD13 0.03 -0.05 0.06 -0.04 0.93 0.93 1uwyA1 LEU 371 HD23 0.02 -0.01 -0.36 -0.04 0.89 0.50 1uwyA1 LYS 372 H -0.00 0.11 0.19 -0.55 8.42 8.16 1uwyA1 LYS 372 HA -0.07 0.30 0.86 -0.75 4.32 4.67 1uwyA1 LYS 372 HB2 -0.00 -0.04 0.14 -0.04 1.87 1.93 1uwyA1 LYS 372 HB3 -0.01 -0.06 -0.01 -0.04 1.79 1.67 1uwyA1 LYS 372 HG2 -0.05 -0.02 -0.10 -0.04 1.46 1.25 1uwyA1 LYS 372 HG3 -0.02 0.09 -0.20 -0.04 1.46 1.29 1uwyA1 LYS 372 HD2 -0.00 -0.06 -0.04 -0.04 1.69 1.56 1uwyA1 LYS 372 HD3 0.01 0.04 -0.06 -0.04 1.68 1.63 1uwyA1 LYS 372 HE2 0.00 0.10 -0.03 -0.04 2.99 3.02 1uwyA1 LYS 372 HE3 0.00 -0.05 0.02 -0.04 2.99 2.91 1uwyA1 LYS 373 H -0.03 0.72 0.31 -0.55 8.42 8.87 1uwyA1 LYS 373 HA 0.05 0.03 0.64 -0.75 4.32 4.28 1uwyA1 LYS 373 HB2 0.06 -0.02 -0.30 -0.04 1.87 1.57 1uwyA1 LYS 373 HB3 0.16 -0.02 -0.02 -0.04 1.79 1.87 1uwyA1 LYS 373 HG2 0.05 0.01 0.06 -0.04 1.46 1.53 1uwyA1 LYS 373 HG3 0.07 -0.04 -0.11 -0.04 1.46 1.34 1uwyA1 LYS 373 HD2 0.06 -0.00 -0.23 -0.04 1.69 1.48 1uwyA1 LYS 373 HD3 0.06 -0.03 0.06 -0.04 1.68 1.73 1uwyA1 LYS 373 HE2 0.04 -0.04 0.06 -0.04 2.99 3.00 1uwyA1 LYS 373 HE3 0.04 -0.00 0.00 -0.04 2.99 2.99 1uwyA1 ASP 374 H 0.06 0.11 0.13 -0.55 8.40 8.15 1uwyA1 ASP 374 HA 0.07 0.16 0.84 -0.75 4.63 4.95 1uwyA1 ASP 374 HB2 0.11 -0.03 0.11 -0.04 2.71 2.86 1uwyA1 ASP 374 HB3 0.22 0.04 -0.02 -0.04 2.70 2.90 1uwyA1 ILE 375 H -0.04 0.59 0.35 -0.55 8.25 8.60 1uwyA1 ILE 375 HA 0.01 0.16 1.00 -0.75 4.18 4.59 1uwyA1 ILE 375 HB -0.14 -0.02 0.07 -0.04 1.89 1.76 1uwyA1 ILE 375 HG12 -0.01 0.03 -0.27 -0.04 1.49 1.20 1uwyA1 ILE 375 HG13 -0.00 0.01 -0.62 -0.04 1.21 0.55 1uwyA1 ILE 375 HG23 -0.09 -0.01 -0.24 -0.04 0.93 0.54 1uwyA1 ILE 375 HD13 -0.30 -0.00 -0.22 -0.04 0.88 0.32 1uwyA1 LEU 376 H -0.01 0.21 0.07 -0.55 8.37 8.09 1uwyA1 LEU 376 HA 0.04 0.26 0.96 -0.75 4.35 4.87 1uwyA1 LEU 376 HB2 0.01 -0.06 0.08 -0.04 1.64 1.63 1uwyA1 LEU 376 HB3 -0.05 0.00 0.07 -0.04 1.64 1.61 1uwyA1 LEU 376 HG 0.04 -0.05 -0.08 -0.04 1.64 1.51 1uwyA1 LEU 376 HD13 -0.04 -0.01 -0.03 -0.04 0.93 0.80 1uwyA1 LEU 376 HD23 -0.02 0.03 -0.12 -0.04 0.89 0.74 1uwyA1 LEU 377 H -0.23 0.58 0.19 -0.55 8.37 8.36 1uwyA1 LEU 377 HA -0.80 0.11 0.46 -0.75 4.35 3.36 1uwyA1 LEU 377 HB2 -0.62 -0.06 0.04 -0.04 1.64 0.96 1uwyA1 LEU 377 HB3 -1.55 -0.01 -0.01 -0.04 1.64 0.03 1uwyA1 LEU 377 HG -0.30 0.06 -0.10 -0.04 1.64 1.25 1uwyA1 LEU 377 HD13 -0.19 -0.01 -0.15 -0.04 0.93 0.54 1uwyA1 LEU 377 HD23 -0.53 0.01 -0.11 -0.04 0.89 0.21 1uwyA1 PRO 378 HA -0.15 0.13 0.56 -0.51 4.44 4.47 1uwyA1 PRO 378 HB2 0.01 -0.02 0.23 -0.04 2.28 2.46 1uwyA1 PRO 378 HB3 -0.05 0.05 0.14 -0.04 2.02 2.11 1uwyA1 PRO 378 HG2 0.01 0.01 -0.01 -0.04 2.03 2.00 1uwyA1 PRO 378 HG3 0.07 0.03 0.10 -0.04 2.03 2.18 1uwyA1 PRO 378 HD2 -0.80 0.07 0.19 -0.04 3.68 3.09 1uwyA1 PRO 378 HD3 -0.58 0.21 0.23 -0.04 3.65 3.47 1uwyA1 PHE 379 H -0.58 0.21 -0.69 -0.55 8.34 6.72 1uwyA1 PHE 379 HA -0.01 0.12 0.49 -0.75 4.62 4.46 1uwyA1 PHE 379 HB2 0.02 -0.15 0.24 -0.04 3.15 3.22 1uwyA1 PHE 379 HB3 0.01 0.14 -0.00 -0.04 3.06 3.17 1uwyA1 PHE 379 HD2 -0.10 0.03 -0.27 -0.04 7.28 6.90 1uwyA1 PHE 379 HE2 -0.23 0.02 -0.12 -0.04 7.38 7.01 1uwyA1 PHE 379 HZ -0.24 0.03 -0.06 -0.04 7.32 7.01 1uwyA1 GLN 380 H 0.37 0.29 0.18 -0.55 8.47 8.77 1uwyA1 GLN 380 HA 0.12 0.05 1.02 -0.75 4.36 4.80 1uwyA1 GLN 380 HB2 0.08 -0.01 -0.05 -0.04 2.15 2.12 1uwyA1 GLN 380 HB3 0.11 0.05 0.04 -0.04 2.02 2.17 1uwyA1 GLN 380 HG2 0.08 0.07 -0.29 -0.04 2.40 2.22 1uwyA1 GLN 380 HG3 0.06 -0.07 0.06 -0.04 2.39 2.40 1uwyA1 GLN 380 HE21 0.04 0.00 -0.04 -0.04 6.97 6.92 1uwyA1 GLN 380 HE22 0.05 0.08 -0.13 -0.04 7.69 7.66 1uwyA1 GLY 381 H 0.08 0.08 0.07 -0.55 8.43 8.11 1uwyA1 GLY 381 HA2 0.09 0.32 0.73 -0.51 4.01 4.63 1uwyA1 GLY 381 HA3 0.07 0.10 0.15 -0.51 4.01 3.82 1uwyA1 PRO 391 HA 0.02 -0.08 0.14 -0.51 4.44 4.00 1uwyA1 PRO 391 HB2 0.01 0.08 -0.06 -0.04 2.28 2.27 1uwyA1 PRO 391 HB3 0.01 -0.04 0.02 -0.04 2.02 1.97 1uwyA1 PRO 391 HG2 0.00 0.02 0.06 -0.04 2.03 2.08 1uwyA1 PRO 391 HG3 0.01 -0.04 0.04 -0.04 2.03 1.99 1uwyA1 PRO 391 HD2 -0.00 0.03 0.07 -0.04 3.68 3.73 1uwyA1 PRO 391 HD3 0.00 -0.03 0.04 -0.04 3.65 3.62 1uwyA1 SER 392 H 0.02 0.15 0.06 -0.55 8.46 8.15 1uwyA1 SER 392 HA 0.04 0.06 0.35 -0.75 4.49 4.18 1uwyA1 SER 392 HB2 0.15 0.01 0.15 -0.04 3.95 4.22 1uwyA1 SER 392 HB3 0.05 0.09 0.13 -0.04 3.93 4.16 1uwyA1 CYS 393 H 0.16 0.17 0.16 -0.55 8.50 8.45 1uwyA1 CYS 393 HA 0.08 0.17 0.66 -0.75 4.58 4.74 1uwyA1 CYS 393 HB2 0.27 -0.10 -0.08 -0.04 2.97 3.01 1uwyA1 CYS 393 HB3 0.14 0.03 -0.02 -0.04 2.97 3.08 1uwyA1 PRO 394 HA 0.05 -0.00 0.39 -0.51 4.44 4.36 1uwyA1 PRO 394 HB2 0.07 -0.03 -0.03 -0.04 2.28 2.24 1uwyA1 PRO 394 HB3 0.05 0.04 0.10 -0.04 2.02 2.16 1uwyA1 PRO 394 HG2 0.10 0.01 0.11 -0.04 2.03 2.20 1uwyA1 PRO 394 HG3 0.05 0.05 0.07 -0.04 2.03 2.17 1uwyA1 PRO 394 HD2 0.08 0.14 0.21 -0.04 3.68 4.07 1uwyA1 PRO 394 HD3 0.06 0.15 0.18 -0.04 3.65 4.00 1uwyA1 MET 395 H -0.07 0.12 0.14 -0.55 8.47 8.12 1uwyA1 MET 395 HA -0.24 0.12 0.46 -0.75 4.52 4.10 1uwyA1 MET 395 HB2 -0.27 -0.02 0.20 -0.04 2.15 2.02 1uwyA1 MET 395 HB3 -0.61 -0.10 0.14 -0.04 2.03 1.41 1uwyA1 MET 395 HG2 -1.80 -0.02 -0.01 -0.04 2.63 0.76 1uwyA1 MET 395 HG3 -0.46 0.17 0.06 -0.04 2.56 2.28 1uwyA1 MET 395 HE3 -0.04 0.02 -0.03 -0.04 2.10 2.02 1uwyA1 ILE 396 H 0.26 0.88 0.02 -0.55 8.25 8.85 1uwyA1 ILE 396 HA -0.13 0.08 0.71 -0.75 4.18 4.09 1uwyA1 ILE 396 HB -0.10 0.00 -0.13 -0.04 1.89 1.62 1uwyA1 ILE 396 HG12 0.10 0.16 -0.15 -0.04 1.49 1.56 1uwyA1 ILE 396 HG13 0.04 -0.01 -0.21 -0.04 1.21 1.00 1uwyA1 ILE 396 HG23 0.08 -0.03 -0.34 -0.04 0.93 0.60 1uwyA1 ILE 396 HD13 0.06 0.00 -0.09 -0.04 0.88 0.80 1uwyA1 PRO 397 HA -0.01 -0.13 0.11 -0.51 4.44 3.90 1uwyA1 PRO 397 HB2 -0.05 0.06 -0.13 -0.04 2.28 2.12 1uwyA1 PRO 397 HB3 -0.06 -0.11 -0.36 -0.04 2.02 1.44 1uwyA1 PRO 397 HG2 -0.47 0.12 -0.02 -0.04 2.03 1.62 1uwyA1 PRO 397 HG3 -0.77 -0.23 0.08 -0.04 2.03 1.07 1uwyA1 PRO 397 HD2 -0.97 0.13 0.14 -0.04 3.68 2.94 1uwyA1 PRO 397 HD3 -0.49 0.04 0.11 -0.04 3.65 3.27 1uwyA1 LEU 398 H -0.08 0.04 0.24 -0.55 8.37 8.03 1uwyA1 LEU 398 HA -0.07 0.10 0.35 -0.75 4.35 3.97 1uwyA1 LEU 398 HB2 -0.39 -0.14 0.11 -0.04 1.64 1.18 1uwyA1 LEU 398 HB3 -0.23 0.09 -0.01 -0.04 1.64 1.45 1uwyA1 LEU 398 HG -0.05 -0.08 0.11 -0.04 1.64 1.59 1uwyA1 LEU 398 HD13 -0.22 0.01 -0.09 -0.04 0.93 0.59 1uwyA1 LEU 398 HD23 0.04 0.05 0.02 -0.04 0.89 0.95 1uwyA1 TYR 399 H -0.21 0.21 0.08 -0.55 8.29 7.82 1uwyA1 TYR 399 HA -0.12 0.10 0.30 -0.75 4.56 4.09 1uwyA1 TYR 399 HB2 -0.52 0.22 0.09 -0.04 3.06 2.81 1uwyA1 TYR 399 HB3 0.00 -0.09 -0.10 -0.04 2.98 2.75 1uwyA1 TYR 399 HD2 -0.55 -0.03 -0.00 -0.04 7.15 6.53 1uwyA1 TYR 399 HE2 -0.22 0.03 -0.00 -0.04 6.85 6.62 1uwyA1 ARG 400 H 0.05 0.13 -0.47 -0.55 8.46 7.61 1uwyA1 ARG 400 HA 0.10 -0.05 0.37 -0.75 4.34 4.01 1uwyA1 ARG 400 HB2 0.07 0.08 0.01 -0.04 1.90 2.02 1uwyA1 ARG 400 HB3 0.04 0.11 0.09 -0.04 1.80 1.99 1uwyA1 ARG 400 HG2 0.07 0.01 -0.18 -0.04 1.67 1.53 1uwyA1 ARG 400 HG3 0.08 -0.04 0.06 -0.04 1.67 1.73 1uwyA1 ARG 400 HD2 0.12 -0.04 0.04 -0.04 3.22 3.29 1uwyA1 ARG 400 HD3 0.10 -0.07 0.04 -0.04 3.22 3.25 1uwyA1 ASN 401 H 0.03 0.25 -0.12 -0.55 8.53 8.14 1uwyA1 ASN 401 HA 0.04 0.01 0.49 -0.75 4.76 4.55 1uwyA1 ASN 401 HB2 0.04 -0.09 0.10 -0.04 2.88 2.89 1uwyA1 ASN 401 HB3 0.02 0.09 0.16 -0.04 2.79 3.02 1uwyA1 ASN 401 HD21 0.03 -0.03 0.01 -0.04 7.03 7.00 1uwyA1 ASN 401 HD22 0.03 -0.03 0.03 -0.04 7.74 7.74 1uwyA1 LEU 402 H 0.05 0.60 -0.49 -0.55 8.37 7.98 1uwyA1 LEU 402 HA 0.01 0.07 0.45 -0.75 4.35 4.13 1uwyA1 LEU 402 HB2 -0.05 0.24 -0.26 -0.04 1.64 1.54 1uwyA1 LEU 402 HB3 0.09 -0.05 0.10 -0.04 1.64 1.74 1uwyA1 LEU 402 HG 0.01 0.37 0.03 -0.04 1.64 2.01 1uwyA1 LEU 402 HD13 -0.05 -0.03 0.05 -0.04 0.93 0.86 1uwyA1 LEU 402 HD23 -0.26 -0.05 -0.08 -0.04 0.89 0.45