============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 4 0.840 0.780 9.942 0.351 -99.200 -91.000 HIS 11 0.900 -5.696 4.668 -15.120 -99.200 -91.000 PHE 17 1.000 -9.935 13.085 -6.978 -99.200 -91.000 HIS 28 0.900 -12.090 18.407 2.863 -99.200 -91.000 PHE 35 1.000 -15.159 21.433 -3.707 -99.200 -91.000 TYR 43 0.840 -9.927 30.345 -18.665 -99.200 -91.000 PHE 49 1.000 0.068 25.119 -26.219 -99.200 -91.000 TYR 59 0.840 7.875 16.982 -25.555 -99.200 -91.000 PHE 72 1.000 -1.133 14.349 -22.656 -99.200 -91.000 TYR 73 0.840 -4.305 10.593 -23.496 -99.200 -91.000 PHE 83 1.000 -3.610 22.023 -27.322 -99.200 -91.000 TYR 87 0.840 2.860 11.863 -34.708 -99.200 -91.000 HIS 97 0.900 17.114 20.644 -28.292 -99.200 -91.000 TYR 98 0.840 12.911 11.980 -24.084 -99.200 -91.000 PHE 102 1.000 13.833 11.794 -17.803 -99.200 -91.000 PHE 109 1.000 13.517 4.837 -20.372 -99.200 -91.000 HIS 113 0.900 25.371 -3.364 -21.174 -99.200 -91.000 HIS 117 0.900 18.674 -11.230 -15.346 -99.200 -91.000 TRP 124 1.040 3.994 -0.985 -17.544 -99.200 -91.000 TRP6 124 1.020 5.086 1.039 -18.082 -99.200 -91.000 TYR 149 0.840 19.094 13.006 -25.636 -99.200 -91.000 TYR 160 0.840 -1.039 2.654 -30.565 -99.200 -91.000 HIS 169 0.900 -3.598 1.709 -16.074 -99.200 -91.000 TYR 190 0.840 22.714 8.892 -24.980 -99.200 -91.000 HIS 195 0.900 27.185 0.373 -24.963 -99.200 -91.000 TYR 203 0.840 19.332 -4.972 -32.572 -99.200 -91.000 PHE 210 1.000 10.266 -5.842 -26.353 -99.200 -91.000 TYR 217 0.840 2.788 -7.050 -20.813 -99.200 -91.000 PHE 224 1.000 9.406 -4.956 -34.026 -99.200 -91.000 PHE 227 1.000 13.219 -1.326 -33.797 -99.200 -91.000 PHE 233 1.000 12.383 -3.476 -45.618 -99.200 -91.000 HIS 237 0.900 10.878 -13.174 -43.748 -99.200 -91.000 TYR 239 0.840 10.815 -11.081 -33.821 -99.200 -91.000 TYR 243 0.840 6.428 -13.595 -31.019 -99.200 -91.000 PHE 246 1.000 1.506 -1.728 -37.035 -99.200 -91.000 HIS 275 0.900 -1.672 8.470 -61.485 -99.200 -91.000 PHE 279 1.000 7.776 5.261 -54.085 -99.200 -91.000 TRP 310 1.040 10.540 4.427 -63.448 -99.200 -91.000 TRP6 310 1.020 12.407 3.632 -64.659 -99.200 -91.000 HIS 330 0.900 10.175 -7.009 -56.585 -99.200 -91.000 PHE 331 1.000 9.606 -1.949 -56.453 -99.200 -91.000 HIS 333 0.900 11.405 -0.312 -63.693 -99.200 -91.000 HIS 335 0.900 16.752 5.461 -67.451 -99.200 -91.000 PHE 362 1.000 10.084 15.935 -53.868 -99.200 -91.000 PHE 372 1.000 7.707 16.014 -66.461 -99.200 -91.000 PHE 379 1.000 1.162 11.699 -51.948 -99.200 -91.000 TYR 396 0.840 -0.964 23.644 -52.576 -99.200 -91.000 TYR 398 0.840 8.765 27.662 -56.567 -99.200 -91.000 PHE 405 1.000 3.063 19.462 -50.180 -99.200 -91.000 PHE 411 1.000 4.903 22.010 -44.905 -99.200 -91.000 TYR 423 0.840 -8.537 24.979 -45.756 -99.200 -91.000 TYR 431 0.840 -5.065 11.465 -41.618 -99.200 -91.000 PHE 433 1.000 0.339 5.762 -35.149 -99.200 -91.000 HIS 447 0.900 0.258 -14.456 -36.305 -99.200 -91.000 PHE 453 1.000 -0.381 -2.544 -42.267 -99.200 -91.000 TYR 475 0.840 -3.522 11.513 -46.803 -99.200 -91.000 TYR 497 0.840 -14.963 -11.293 -35.036 -99.200 -91.000 TYR 505 0.840 -14.178 -16.038 -32.557 -99.200 -91.000 PHE 514 1.000 -16.440 -5.821 -28.668 -99.200 -91.000 TYR 520 0.840 -9.109 7.524 -22.262 -99.200 -91.000 TYR 524 0.840 -11.580 14.529 -14.527 -99.200 -91.000 PHE 527 1.000 -11.312 8.290 -8.803 -99.200 -91.000 TYR 532 0.840 -25.612 -2.212 -2.453 -99.200 -91.000 TRP 534 1.040 -27.733 -5.727 1.634 -99.200 -91.000 TRP6 534 1.020 -26.570 -7.395 2.840 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1gq2G1 LYS 23 HA 0.02 -0.05 0.14 -0.75 4.32 3.67 1gq2G1 LYS 23 HB2 -0.02 -0.15 0.15 -0.04 1.87 1.81 1gq2G1 LYS 23 HB3 0.01 0.01 0.06 -0.04 1.79 1.83 1gq2G1 LYS 23 HG2 0.05 0.01 -0.05 -0.04 1.46 1.42 1gq2G1 LYS 23 HG3 -0.01 -0.01 -0.22 -0.04 1.46 1.18 1gq2G1 LYS 23 HD2 -0.05 -0.02 -0.05 -0.04 1.69 1.53 1gq2G1 LYS 23 HD3 -0.01 0.02 -0.02 -0.04 1.68 1.63 1gq2G1 LYS 23 HE2 0.03 -0.00 -0.06 -0.04 2.99 2.92 1gq2G1 LYS 23 HE3 -0.02 -0.01 -0.21 -0.04 2.99 2.70 1gq2G1 LYS 24 H -0.04 0.12 0.14 -0.55 8.42 8.08 1gq2G1 LYS 24 HA -0.06 0.18 0.73 -0.75 4.32 4.41 1gq2G1 LYS 24 HB2 -0.03 -0.09 -0.04 -0.04 1.87 1.66 1gq2G1 LYS 24 HB3 -0.04 0.02 0.11 -0.04 1.79 1.84 1gq2G1 LYS 24 HG2 -0.01 0.09 0.08 -0.04 1.46 1.58 1gq2G1 LYS 24 HG3 0.00 -0.06 -0.65 -0.04 1.46 0.71 1gq2G1 LYS 24 HD2 -0.02 0.09 0.05 -0.04 1.69 1.77 1gq2G1 LYS 24 HD3 -0.00 0.00 0.00 -0.04 1.68 1.64 1gq2G1 LYS 24 HE2 -0.01 -0.03 -0.07 -0.04 2.99 2.84 1gq2G1 LYS 24 HE3 -0.02 -0.05 -0.05 -0.04 2.99 2.84 1gq2G1 GLY 25 H -0.08 0.70 0.28 -0.55 8.43 8.78 1gq2G1 GLY 25 HA2 -0.03 0.25 0.43 -0.51 4.01 4.15 1gq2G1 GLY 25 HA3 -0.12 0.04 0.70 -0.51 4.01 4.13 1gq2G1 TYR 26 H 0.19 0.20 0.22 -0.55 8.29 8.35 1gq2G1 TYR 26 HA -0.06 0.07 0.44 -0.75 4.56 4.25 1gq2G1 TYR 26 HB2 -0.04 0.05 0.13 -0.04 3.06 3.15 1gq2G1 TYR 26 HB3 -0.04 0.04 0.18 -0.04 2.98 3.12 1gq2G1 TYR 26 HD2 -0.03 0.01 -0.05 -0.04 7.15 7.04 1gq2G1 TYR 26 HE2 -0.02 0.02 -0.00 -0.04 6.85 6.81 1gq2G1 GLU 27 H -0.75 0.13 -0.46 -0.55 8.60 6.97 1gq2G1 GLU 27 HA -0.29 0.07 0.38 -0.75 4.29 3.70 1gq2G1 GLU 27 HB2 -0.61 -0.04 0.09 -0.04 2.09 1.49 1gq2G1 GLU 27 HB3 -0.24 0.11 -0.07 -0.04 1.99 1.75 1gq2G1 GLU 27 HG2 -0.16 0.02 0.01 -0.04 2.34 2.17 1gq2G1 GLU 27 HG3 -0.13 0.02 0.04 -0.04 2.34 2.24 1gq2G1 VAL 28 H -0.16 0.52 -0.46 -0.55 8.24 7.60 1gq2G1 VAL 28 HA -0.03 0.08 0.35 -0.75 4.13 3.77 1gq2G1 VAL 28 HB -0.15 0.11 0.02 -0.04 2.12 2.06 1gq2G1 VAL 28 HG13 -0.11 -0.02 -0.23 -0.04 0.97 0.56 1gq2G1 VAL 28 HG23 -0.07 0.01 -0.19 -0.04 0.95 0.65 1gq2G1 LEU 29 H -0.04 0.18 -0.21 -0.55 8.37 7.75 1gq2G1 LEU 29 HA 0.05 -0.02 0.44 -0.75 4.35 4.07 1gq2G1 LEU 29 HB2 0.04 0.15 0.11 -0.04 1.64 1.90 1gq2G1 LEU 29 HB3 0.03 -0.00 0.10 -0.04 1.64 1.72 1gq2G1 LEU 29 HG -0.04 -0.03 0.06 -0.04 1.64 1.59 1gq2G1 LEU 29 HD13 0.01 -0.00 0.02 -0.04 0.93 0.92 1gq2G1 LEU 29 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.82 1gq2G1 ARG 30 H -0.00 0.20 -0.46 -0.55 8.46 7.64 1gq2G1 ARG 30 HA 0.01 0.15 0.67 -0.75 4.34 4.42 1gq2G1 ARG 30 HB2 0.00 0.05 0.07 -0.04 1.90 1.98 1gq2G1 ARG 30 HB3 0.01 -0.01 0.15 -0.04 1.80 1.91 1gq2G1 ARG 30 HG2 0.05 0.00 -0.01 -0.04 1.67 1.67 1gq2G1 ARG 30 HG3 0.09 0.04 -0.02 -0.04 1.67 1.74 1gq2G1 ARG 30 HD2 0.15 -0.04 -0.03 -0.04 3.22 3.26 1gq2G1 ARG 30 HD3 0.08 0.00 0.01 -0.04 3.22 3.27 1gq2G1 ASP 31 H 0.00 0.30 -0.39 -0.55 8.40 7.76 1gq2G1 ASP 31 HA 0.00 0.19 0.83 -0.75 4.63 4.91 1gq2G1 ASP 31 HB2 -0.00 0.10 0.10 -0.04 2.71 2.87 1gq2G1 ASP 31 HB3 0.03 0.03 0.28 -0.04 2.70 2.99 1gq2G1 PRO 32 HA 0.02 0.27 0.21 -0.51 4.44 4.43 1gq2G1 PRO 32 HB2 0.00 -0.01 -0.20 -0.04 2.28 2.03 1gq2G1 PRO 32 HB3 -0.02 0.15 -0.65 -0.04 2.02 1.45 1gq2G1 PRO 32 HG2 0.03 -0.09 0.02 -0.04 2.03 1.96 1gq2G1 PRO 32 HG3 -0.02 0.11 0.05 -0.04 2.03 2.12 1gq2G1 PRO 32 HD2 0.00 0.02 0.32 -0.04 3.68 3.98 1gq2G1 PRO 32 HD3 -0.01 0.42 0.15 -0.04 3.65 4.17 1gq2G1 HIS 33 H 0.12 0.12 -0.35 -0.55 8.41 7.76 1gq2G1 HIS 33 HA 0.04 0.03 0.51 -0.75 4.63 4.46 1gq2G1 HIS 33 HB2 -0.08 0.02 0.06 -0.04 3.26 3.22 1gq2G1 HIS 33 HB3 -0.09 0.02 0.00 -0.04 3.20 3.09 1gq2G1 HIS 33 HD2 -0.17 0.02 -0.13 -0.04 6.97 6.65 1gq2G1 HIS 33 HE1 -0.07 -0.04 0.03 -0.04 7.75 7.63 1gq2G1 LEU 34 H 0.08 0.27 -0.26 -0.55 8.37 7.91 1gq2G1 LEU 34 HA 0.18 0.14 0.85 -0.75 4.35 4.77 1gq2G1 LEU 34 HB2 0.08 0.17 0.18 -0.04 1.64 2.02 1gq2G1 LEU 34 HB3 0.16 -0.06 -0.03 -0.04 1.64 1.67 1gq2G1 LEU 34 HG 0.17 -0.10 -0.13 -0.04 1.64 1.54 1gq2G1 LEU 34 HD13 0.14 0.01 -0.04 -0.04 0.93 1.00 1gq2G1 LEU 34 HD23 0.28 0.04 -0.12 -0.04 0.89 1.05 1gq2G1 ASN 35 H 0.03 0.76 0.24 -0.55 8.53 9.02 1gq2G1 ASN 35 HA 0.05 -0.14 0.35 -0.75 4.76 4.26 1gq2G1 ASN 35 HB2 0.02 0.19 0.10 -0.04 2.88 3.15 1gq2G1 ASN 35 HB3 0.00 0.11 0.18 -0.04 2.79 3.04 1gq2G1 ASN 35 HD21 0.00 -0.19 0.01 -0.04 7.03 6.82 1gq2G1 ASN 35 HD22 -0.00 0.51 0.10 -0.04 7.74 8.30 1gq2G1 LYS 36 H -0.63 0.08 0.16 -0.55 8.42 7.48 1gq2G1 LYS 36 HA -0.53 0.14 0.79 -0.75 4.32 3.96 1gq2G1 LYS 36 HB2 -2.03 -0.03 -0.09 -0.04 1.87 -0.33 1gq2G1 LYS 36 HB3 -1.31 -0.06 -0.05 -0.04 1.79 0.32 1gq2G1 LYS 36 HG2 -0.81 0.02 -0.07 -0.04 1.46 0.56 1gq2G1 LYS 36 HG3 -0.87 0.19 -0.03 -0.04 1.46 0.71 1gq2G1 LYS 36 HD2 -1.23 -0.08 -0.03 -0.04 1.69 0.31 1gq2G1 LYS 36 HD3 -0.12 0.02 0.05 -0.04 1.68 1.59 1gq2G1 LYS 36 HE2 -0.42 -0.00 0.01 -0.04 2.99 2.54 1gq2G1 LYS 36 HE3 -1.02 -0.02 -0.19 -0.04 2.99 1.72 1gq2G1 GLY 37 H -0.10 0.02 -0.07 -0.55 8.43 7.73 1gq2G1 GLY 37 HA2 0.02 0.06 0.25 -0.51 4.01 3.83 1gq2G1 GLY 37 HA3 -0.04 0.12 0.23 -0.51 4.01 3.81 1gq2G1 ALA 39 HA 0.02 0.12 0.41 -0.75 4.34 4.14 1gq2G1 ALA 39 HB3 -0.24 -0.05 0.06 -0.04 1.41 1.14 1gq2G1 PHE 40 H -0.01 0.57 1.32 -0.55 8.34 9.68 1gq2G1 PHE 40 HA -0.08 -0.06 0.52 -0.75 4.62 4.25 1gq2G1 PHE 40 HB2 -0.05 0.21 0.21 -0.04 3.15 3.47 1gq2G1 PHE 40 HB3 -0.02 -0.10 -0.06 -0.04 3.06 2.83 1gq2G1 PHE 40 HD2 -0.15 0.04 0.03 -0.04 7.28 7.16 1gq2G1 PHE 40 HE2 -0.73 -0.01 -0.02 -0.04 7.38 6.58 1gq2G1 PHE 40 HZ -0.79 0.14 -0.14 -0.04 7.32 6.49 1gq2G1 THR 41 H 0.19 0.06 0.23 -0.55 8.28 8.20 1gq2G1 THR 41 HA 0.05 0.18 0.44 -0.75 4.39 4.31 1gq2G1 THR 41 HB -0.09 -0.04 0.15 -0.04 4.32 4.30 1gq2G1 THR 41 HG23 0.04 0.06 0.10 -0.04 1.22 1.38 1gq2G1 LEU 42 H -0.44 0.19 0.15 -0.55 8.37 7.72 1gq2G1 LEU 42 HA 0.06 0.15 0.35 -0.75 4.35 4.16 1gq2G1 LEU 42 HB2 -0.51 0.08 0.11 -0.04 1.64 1.28 1gq2G1 LEU 42 HB3 -0.28 -0.06 0.13 -0.04 1.64 1.39 1gq2G1 LEU 42 HG -0.19 -0.02 -0.21 -0.04 1.64 1.18 1gq2G1 LEU 42 HD13 -0.23 0.01 0.01 -0.04 0.93 0.68 1gq2G1 LEU 42 HD23 -0.11 0.01 -0.01 -0.04 0.89 0.74 1gq2G1 GLU 43 H -0.11 0.09 -0.11 -0.55 8.60 7.93 1gq2G1 GLU 43 HA -0.08 0.11 0.38 -0.75 4.29 3.95 1gq2G1 GLU 43 HB2 -0.06 0.01 0.09 -0.04 2.09 2.09 1gq2G1 GLU 43 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.92 1gq2G1 GLU 43 HG2 -0.02 0.01 -0.07 -0.04 2.34 2.21 1gq2G1 GLU 43 HG3 -0.04 0.02 0.05 -0.04 2.34 2.33 1gq2G1 GLU 44 H 0.02 0.04 -0.36 -0.55 8.60 7.75 1gq2G1 GLU 44 HA 0.04 0.08 0.32 -0.75 4.29 3.97 1gq2G1 GLU 44 HB2 0.17 0.11 0.11 -0.04 2.09 2.43 1gq2G1 GLU 44 HB3 0.13 0.11 -0.02 -0.04 1.99 2.16 1gq2G1 GLU 44 HG2 0.18 -0.02 -0.01 -0.04 2.34 2.45 1gq2G1 GLU 44 HG3 0.11 -0.08 0.07 -0.04 2.34 2.40 1gq2G1 ARG 45 H -0.01 0.64 -0.19 -0.55 8.46 8.35 1gq2G1 ARG 45 HA -0.22 0.04 0.28 -0.75 4.34 3.68 1gq2G1 ARG 45 HB2 0.02 0.09 0.05 -0.04 1.90 2.01 1gq2G1 ARG 45 HB3 0.06 -0.12 -0.14 -0.04 1.80 1.56 1gq2G1 ARG 45 HG2 0.01 -0.05 -0.13 -0.04 1.67 1.46 1gq2G1 ARG 45 HG3 0.14 0.46 -0.21 -0.04 1.67 2.01 1gq2G1 ARG 45 HD2 0.32 -0.09 -0.12 -0.04 3.22 3.29 1gq2G1 ARG 45 HD3 0.13 -0.08 -0.10 -0.04 3.22 3.13 1gq2G1 GLN 46 H -0.08 0.51 -0.21 -0.55 8.47 8.14 1gq2G1 GLN 46 HA -0.00 -0.01 0.49 -0.75 4.36 4.08 1gq2G1 GLN 46 HB2 -0.07 0.09 0.15 -0.04 2.15 2.28 1gq2G1 GLN 46 HB3 -0.05 -0.02 0.05 -0.04 2.02 1.96 1gq2G1 GLN 46 HG2 -0.25 -0.05 0.03 -0.04 2.40 2.09 1gq2G1 GLN 46 HG3 -0.23 0.37 0.09 -0.04 2.39 2.58 1gq2G1 GLN 46 HE21 -0.08 -0.02 -0.03 -0.04 6.97 6.79 1gq2G1 GLN 46 HE22 -0.15 0.01 -0.02 -0.04 7.69 7.49 1gq2G1 GLN 47 H -0.04 0.48 -0.10 -0.55 8.47 8.27 1gq2G1 GLN 47 HA -0.02 0.08 0.60 -0.75 4.36 4.26 1gq2G1 GLN 47 HB2 -0.00 0.08 0.11 -0.04 2.15 2.29 1gq2G1 GLN 47 HB3 -0.01 -0.01 0.11 -0.04 2.02 2.08 1gq2G1 GLN 47 HG2 -0.02 -0.04 0.02 -0.04 2.40 2.32 1gq2G1 GLN 47 HG3 -0.02 0.24 0.11 -0.04 2.39 2.69 1gq2G1 GLN 47 HE21 -0.01 0.02 0.03 -0.04 6.97 6.97 1gq2G1 GLN 47 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.64 1gq2G1 LEU 48 H -0.09 0.48 -0.12 -0.55 8.37 8.10 1gq2G1 LEU 48 HA -0.06 0.17 0.63 -0.75 4.35 4.34 1gq2G1 LEU 48 HB2 -0.26 0.24 0.10 -0.04 1.64 1.68 1gq2G1 LEU 48 HB3 -0.28 -0.11 -0.00 -0.04 1.64 1.21 1gq2G1 LEU 48 HG -0.25 0.00 0.05 -0.04 1.64 1.40 1gq2G1 LEU 48 HD13 0.06 0.03 0.04 -0.04 0.93 1.01 1gq2G1 LEU 48 HD23 -0.60 -0.03 -0.09 -0.04 0.89 0.14 1gq2G1 ASN 49 H -0.05 0.21 -0.59 -0.55 8.53 7.56 1gq2G1 ASN 49 HA -0.01 0.06 0.34 -0.75 4.76 4.40 1gq2G1 ASN 49 HB2 -0.03 0.09 -0.23 -0.04 2.88 2.67 1gq2G1 ASN 49 HB3 -0.00 -0.07 0.28 -0.04 2.79 2.95 1gq2G1 ASN 49 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 1gq2G1 ASN 49 HD22 -0.02 0.02 -0.16 -0.04 7.74 7.54 1gq2G1 ILE 50 H -0.06 0.46 0.03 -0.55 8.25 8.13 1gq2G1 ILE 50 HA -0.02 0.20 0.78 -0.75 4.18 4.38 1gq2G1 ILE 50 HB -0.10 -0.05 0.05 -0.04 1.89 1.75 1gq2G1 ILE 50 HG12 -0.27 0.02 -0.11 -0.04 1.49 1.08 1gq2G1 ILE 50 HG13 -0.18 -0.07 -0.22 -0.04 1.21 0.70 1gq2G1 ILE 50 HG23 -0.12 0.03 -0.37 -0.04 0.93 0.42 1gq2G1 ILE 50 HD13 -0.72 0.01 -0.11 -0.04 0.88 0.02 1gq2G1 HIS 51 H 0.07 0.23 0.00 -0.55 8.41 8.17 1gq2G1 HIS 51 HA -0.02 0.01 0.36 -0.75 4.63 4.23 1gq2G1 HIS 51 HB2 -0.01 -0.05 -0.26 -0.04 3.26 2.89 1gq2G1 HIS 51 HB3 -0.01 0.03 0.06 -0.04 3.20 3.23 1gq2G1 HIS 51 HD2 0.01 -0.00 -0.06 -0.04 6.97 6.88 1gq2G1 HIS 51 HE1 0.09 0.02 -0.04 -0.04 7.75 7.77 1gq2G1 GLY 52 H -0.09 0.14 0.24 -0.55 8.43 8.17 1gq2G1 GLY 52 HA2 -0.24 0.02 0.33 -0.51 4.01 3.61 1gq2G1 GLY 52 HA3 -0.19 0.18 0.79 -0.51 4.01 4.28 1gq2G1 LEU 53 H -0.05 0.73 0.02 -0.55 8.37 8.53 1gq2G1 LEU 53 HA -0.04 0.09 0.59 -0.75 4.35 4.23 1gq2G1 LEU 53 HB2 -0.02 0.06 0.11 -0.04 1.64 1.75 1gq2G1 LEU 53 HB3 -0.01 -0.03 0.15 -0.04 1.64 1.71 1gq2G1 LEU 53 HG -0.03 0.02 -0.16 -0.04 1.64 1.43 1gq2G1 LEU 53 HD13 0.03 -0.02 0.08 -0.04 0.93 0.98 1gq2G1 LEU 53 HD23 -0.03 -0.00 -0.05 -0.04 0.89 0.76 1gq2G1 LEU 54 H -0.04 -0.05 -0.15 -0.55 8.37 7.58 1gq2G1 LEU 54 HA -0.03 0.23 0.93 -0.75 4.35 4.73 1gq2G1 LEU 54 HB2 0.00 -0.12 0.04 -0.04 1.64 1.53 1gq2G1 LEU 54 HB3 -0.03 0.13 0.01 -0.04 1.64 1.72 1gq2G1 LEU 54 HG 0.01 -0.06 -0.24 -0.04 1.64 1.31 1gq2G1 LEU 54 HD13 0.11 0.00 -0.03 -0.04 0.93 0.97 1gq2G1 LEU 54 HD23 0.02 0.01 0.06 -0.04 0.89 0.94 1gq2G1 PRO 55 HA -0.07 0.09 0.39 -0.51 4.44 4.33 1gq2G1 PRO 55 HB2 -0.08 -0.02 -0.02 -0.04 2.28 2.12 1gq2G1 PRO 55 HB3 -0.05 0.02 0.09 -0.04 2.02 2.04 1gq2G1 PRO 55 HG2 -0.06 0.03 0.07 -0.04 2.03 2.02 1gq2G1 PRO 55 HG3 -0.04 0.05 0.06 -0.04 2.03 2.06 1gq2G1 PRO 55 HD2 -0.03 0.10 0.25 -0.04 3.68 3.96 1gq2G1 PRO 55 HD3 -0.04 0.16 0.13 -0.04 3.65 3.85 1gq2G1 PRO 56 HA -0.20 0.11 0.42 -0.51 4.44 4.26 1gq2G1 PRO 56 HB2 -0.03 -0.02 0.22 -0.04 2.28 2.42 1gq2G1 PRO 56 HB3 -0.03 0.02 0.13 -0.04 2.02 2.10 1gq2G1 PRO 56 HG2 -0.06 0.02 -0.02 -0.04 2.03 1.93 1gq2G1 PRO 56 HG3 -0.03 0.01 0.07 -0.04 2.03 2.04 1gq2G1 PRO 56 HD2 -0.06 0.08 0.15 -0.04 3.68 3.80 1gq2G1 PRO 56 HD3 -0.06 0.14 0.17 -0.04 3.65 3.86 1gq2G1 CYS 57 H -0.36 0.61 -0.36 -0.55 8.50 7.85 1gq2G1 CYS 57 HA -0.31 0.11 0.79 -0.75 4.58 4.42 1gq2G1 CYS 57 HB2 -0.07 -0.01 0.00 -0.04 2.97 2.85 1gq2G1 CYS 57 HB3 -0.11 -0.04 -0.28 -0.04 2.97 2.49 1gq2G1 PHE 58 H 0.03 0.17 0.10 -0.55 8.34 8.09 1gq2G1 PHE 58 HA 0.02 0.30 0.86 -0.75 4.62 5.05 1gq2G1 PHE 58 HB2 0.02 -0.07 0.05 -0.04 3.15 3.11 1gq2G1 PHE 58 HB3 0.02 0.09 -0.08 -0.04 3.06 3.05 1gq2G1 PHE 58 HD2 0.03 0.22 -0.02 -0.04 7.28 7.47 1gq2G1 PHE 58 HE2 0.03 0.02 -0.14 -0.04 7.38 7.25 1gq2G1 PHE 58 HZ 0.04 -0.01 -0.09 -0.04 7.32 7.22 1gq2G1 LEU 59 H 0.09 0.39 0.14 -0.55 8.37 8.44 1gq2G1 LEU 59 HA 0.08 0.12 0.90 -0.75 4.35 4.70 1gq2G1 LEU 59 HB2 0.05 -0.01 0.03 -0.04 1.64 1.67 1gq2G1 LEU 59 HB3 0.04 0.01 -0.01 -0.04 1.64 1.64 1gq2G1 LEU 59 HG 0.01 -0.04 -0.34 -0.04 1.64 1.24 1gq2G1 LEU 59 HD13 0.03 0.02 0.02 -0.04 0.93 0.96 1gq2G1 LEU 59 HD23 0.03 -0.00 -0.15 -0.04 0.89 0.72 1gq2G1 GLY 60 H 0.05 0.05 0.18 -0.55 8.43 8.17 1gq2G1 GLY 60 HA2 0.11 0.28 0.71 -0.51 4.01 4.59 1gq2G1 GLY 60 HA3 0.06 -0.01 0.39 -0.51 4.01 3.94 1gq2G1 GLN 61 H 0.06 0.20 0.19 -0.55 8.47 8.38 1gq2G1 GLN 61 HA 0.07 0.16 0.41 -0.75 4.36 4.25 1gq2G1 GLN 61 HB2 -0.07 -0.06 0.15 -0.04 2.15 2.14 1gq2G1 GLN 61 HB3 -0.09 0.07 -0.05 -0.04 2.02 1.92 1gq2G1 GLN 61 HG2 -0.35 0.06 0.04 -0.04 2.40 2.10 1gq2G1 GLN 61 HG3 -0.27 -0.03 0.12 -0.04 2.39 2.16 1gq2G1 GLN 61 HE21 -0.45 0.61 0.12 -0.04 6.97 7.21 1gq2G1 GLN 61 HE22 -1.52 -0.08 0.03 -0.04 7.69 6.08 1gq2G1 ASP 62 H 0.01 0.09 -0.11 -0.55 8.40 7.85 1gq2G1 ASP 62 HA 0.02 0.13 0.41 -0.75 4.63 4.44 1gq2G1 ASP 62 HB2 0.01 -0.07 0.07 -0.04 2.71 2.68 1gq2G1 ASP 62 HB3 0.02 0.06 -0.01 -0.04 2.70 2.73 1gq2G1 ALA 63 H 0.04 0.05 -0.29 -0.55 8.40 7.65 1gq2G1 ALA 63 HA 0.04 0.04 0.38 -0.75 4.34 4.05 1gq2G1 ALA 63 HB3 0.03 0.05 0.07 -0.04 1.41 1.52 1gq2G1 GLN 64 H 0.07 0.45 -0.15 -0.55 8.47 8.29 1gq2G1 GLN 64 HA 0.06 0.02 0.38 -0.75 4.36 4.06 1gq2G1 GLN 64 HB2 0.07 0.02 0.17 -0.04 2.15 2.38 1gq2G1 GLN 64 HB3 0.06 0.00 -0.04 -0.04 2.02 2.00 1gq2G1 GLN 64 HG2 0.05 -0.01 0.01 -0.04 2.40 2.41 1gq2G1 GLN 64 HG3 0.06 -0.05 -0.04 -0.04 2.39 2.32 1gq2G1 GLN 64 HE21 -0.01 0.23 0.10 -0.04 6.97 7.25 1gq2G1 GLN 64 HE22 0.01 -0.09 0.11 -0.04 7.69 7.68 1gq2G1 VAL 65 H 0.04 0.71 -0.10 -0.55 8.24 8.34 1gq2G1 VAL 65 HA -0.01 0.03 0.39 -0.75 4.13 3.78 1gq2G1 VAL 65 HB 0.04 0.08 0.19 -0.04 2.12 2.39 1gq2G1 VAL 65 HG13 0.00 -0.01 -0.13 -0.04 0.97 0.79 1gq2G1 VAL 65 HG23 -0.03 0.05 -0.06 -0.04 0.95 0.87 1gq2G1 TYR 66 H 0.17 0.60 -0.12 -0.55 8.29 8.39 1gq2G1 TYR 66 HA 0.02 -0.03 0.36 -0.75 4.56 4.15 1gq2G1 TYR 66 HB2 0.01 -0.01 0.12 -0.04 3.06 3.14 1gq2G1 TYR 66 HB3 0.01 0.24 0.20 -0.04 2.98 3.40 1gq2G1 TYR 66 HD2 0.01 0.03 -0.07 -0.04 7.15 7.08 1gq2G1 TYR 66 HE2 0.01 -0.01 -0.04 -0.04 6.85 6.77 1gq2G1 SER 67 H 0.15 0.48 -0.19 -0.55 8.46 8.35 1gq2G1 SER 67 HA -0.04 -0.04 0.40 -0.75 4.49 4.06 1gq2G1 SER 67 HB2 0.10 -0.05 0.09 -0.04 3.95 4.05 1gq2G1 SER 67 HB3 0.05 0.21 0.17 -0.04 3.93 4.33 1gq2G1 ILE 68 H -0.00 0.52 -0.13 -0.55 8.25 8.09 1gq2G1 ILE 68 HA -0.00 0.01 0.35 -0.75 4.18 3.78 1gq2G1 ILE 68 HB -0.05 0.14 0.20 -0.04 1.89 2.14 1gq2G1 ILE 68 HG12 -0.00 0.24 0.07 -0.04 1.49 1.76 1gq2G1 ILE 68 HG13 -0.04 -0.04 -0.04 -0.04 1.21 1.05 1gq2G1 ILE 68 HG23 -0.07 -0.02 -0.12 -0.04 0.93 0.68 1gq2G1 ILE 68 HD13 -0.00 -0.01 -0.04 -0.04 0.88 0.78 1gq2G1 LEU 69 H -0.05 0.68 -0.10 -0.55 8.37 8.35 1gq2G1 LEU 69 HA 0.07 -0.01 0.36 -0.75 4.35 4.02 1gq2G1 LEU 69 HB2 -0.12 0.14 0.15 -0.04 1.64 1.77 1gq2G1 LEU 69 HB3 -0.02 -0.07 0.01 -0.04 1.64 1.51 1gq2G1 LEU 69 HG -0.01 0.16 0.01 -0.04 1.64 1.76 1gq2G1 LEU 69 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1gq2G1 LEU 69 HD23 0.11 -0.01 -0.03 -0.04 0.89 0.91 1gq2G1 LYS 70 H -0.20 0.54 -0.11 -0.55 8.42 8.10 1gq2G1 LYS 70 HA -0.08 -0.02 0.42 -0.75 4.32 3.89 1gq2G1 LYS 70 HB2 -0.12 0.13 0.10 -0.04 1.87 1.93 1gq2G1 LYS 70 HB3 -0.10 -0.07 0.06 -0.04 1.79 1.64 1gq2G1 LYS 70 HG2 -0.70 0.38 0.10 -0.04 1.46 1.20 1gq2G1 LYS 70 HG3 -0.39 -0.07 -0.00 -0.04 1.46 0.95 1gq2G1 LYS 70 HD2 -0.23 -0.03 -0.02 -0.04 1.69 1.37 1gq2G1 LYS 70 HD3 -0.70 -0.02 -0.01 -0.04 1.68 0.90 1gq2G1 LYS 70 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 1gq2G1 LYS 70 HE3 -0.06 0.00 0.02 -0.04 2.99 2.90 1gq2G1 ASN 71 H -0.01 0.48 -0.29 -0.55 8.53 8.17 1gq2G1 ASN 71 HA 0.00 0.00 0.49 -0.75 4.76 4.50 1gq2G1 ASN 71 HB2 0.02 0.20 0.17 -0.04 2.88 3.23 1gq2G1 ASN 71 HB3 0.01 -0.04 -0.01 -0.04 2.79 2.71 1gq2G1 ASN 71 HD21 -0.00 -0.10 -0.05 -0.04 7.03 6.84 1gq2G1 ASN 71 HD22 -0.00 0.19 -0.08 -0.04 7.74 7.80 1gq2G1 PHE 72 H 0.18 0.40 -0.13 -0.55 8.34 8.24 1gq2G1 PHE 72 HA 0.03 0.02 0.45 -0.75 4.62 4.37 1gq2G1 PHE 72 HB2 0.05 0.05 0.04 -0.04 3.15 3.25 1gq2G1 PHE 72 HB3 0.09 0.06 0.13 -0.04 3.06 3.30 1gq2G1 PHE 72 HD2 0.09 0.04 -0.19 -0.04 7.28 7.18 1gq2G1 PHE 72 HE2 0.15 0.00 -0.07 -0.04 7.38 7.42 1gq2G1 PHE 72 HZ 0.14 -0.01 -0.07 -0.04 7.32 7.34 1gq2G1 GLU 73 H 0.18 0.69 -0.01 -0.55 8.60 8.91 1gq2G1 GLU 73 HA 0.17 -0.00 0.37 -0.75 4.29 4.07 1gq2G1 GLU 73 HB2 0.04 0.10 0.16 -0.04 2.09 2.35 1gq2G1 GLU 73 HB3 0.04 -0.06 -0.03 -0.04 1.99 1.90 1gq2G1 GLU 73 HG2 0.08 -0.07 0.02 -0.04 2.34 2.33 1gq2G1 GLU 73 HG3 0.12 0.06 0.05 -0.04 2.34 2.54 1gq2G1 ARG 74 H 0.02 0.34 -0.27 -0.55 8.46 8.00 1gq2G1 ARG 74 HA -0.00 0.06 0.49 -0.75 4.34 4.13 1gq2G1 ARG 74 HB2 -0.01 -0.09 0.10 -0.04 1.90 1.85 1gq2G1 ARG 74 HB3 -0.00 -0.05 0.08 -0.04 1.80 1.79 1gq2G1 ARG 74 HG2 -0.00 0.30 0.17 -0.04 1.67 2.10 1gq2G1 ARG 74 HG3 -0.02 0.07 -0.08 -0.04 1.67 1.60 1gq2G1 ARG 74 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 1gq2G1 ARG 74 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.12 1gq2G1 LEU 75 H -0.07 0.33 -0.53 -0.55 8.37 7.55 1gq2G1 LEU 75 HA -0.06 0.00 0.50 -0.75 4.35 4.03 1gq2G1 LEU 75 HB2 -0.26 0.22 0.07 -0.04 1.64 1.63 1gq2G1 LEU 75 HB3 -0.14 -0.26 0.05 -0.04 1.64 1.24 1gq2G1 LEU 75 HG -0.10 0.36 0.08 -0.04 1.64 1.94 1gq2G1 LEU 75 HD13 -0.21 -0.04 -0.20 -0.04 0.93 0.44 1gq2G1 LEU 75 HD23 -0.06 -0.04 -0.04 -0.04 0.89 0.71 1gq2G1 THR 76 H -0.06 0.05 0.12 -0.55 8.28 7.85 1gq2G1 THR 76 HA -0.04 0.28 0.85 -0.75 4.39 4.73 1gq2G1 THR 76 HB -0.02 -0.05 0.20 -0.04 4.32 4.41 1gq2G1 THR 76 HG23 -0.02 0.06 -0.21 -0.04 1.22 1.01 1gq2G1 SER 77 H -0.08 0.27 -0.01 -0.55 8.46 8.10 1gq2G1 SER 77 HA -0.03 0.16 0.69 -0.75 4.49 4.56 1gq2G1 SER 77 HB2 -0.04 -0.14 0.03 -0.04 3.95 3.76 1gq2G1 SER 77 HB3 -0.04 -0.04 0.09 -0.04 3.93 3.90 1gq2G1 ASP 78 H -0.02 0.22 0.14 -0.55 8.40 8.19 1gq2G1 ASP 78 HA -0.00 0.16 0.43 -0.75 4.63 4.46 1gq2G1 ASP 78 HB2 0.01 -0.06 0.16 -0.04 2.71 2.77 1gq2G1 ASP 78 HB3 0.03 0.06 0.03 -0.04 2.70 2.78 1gq2G1 LEU 79 H -0.01 0.06 -0.12 -0.55 8.37 7.75 1gq2G1 LEU 79 HA 0.04 0.12 0.32 -0.75 4.35 4.08 1gq2G1 LEU 79 HB2 -0.06 -0.02 0.05 -0.04 1.64 1.57 1gq2G1 LEU 79 HB3 -0.05 -0.04 0.01 -0.04 1.64 1.52 1gq2G1 LEU 79 HG -0.01 0.06 -0.20 -0.04 1.64 1.44 1gq2G1 LEU 79 HD13 -0.00 0.02 -0.03 -0.04 0.93 0.87 1gq2G1 LEU 79 HD23 -0.19 0.01 -0.06 -0.04 0.89 0.61 1gq2G1 ASP 80 H -0.03 0.01 -0.37 -0.55 8.40 7.46 1gq2G1 ASP 80 HA -0.01 0.13 0.48 -0.75 4.63 4.48 1gq2G1 ASP 80 HB2 -0.06 -0.03 0.13 -0.04 2.71 2.71 1gq2G1 ASP 80 HB3 -0.06 0.08 0.03 -0.04 2.70 2.70 1gq2G1 ARG 81 H -0.07 0.43 -0.09 -0.55 8.46 8.18 1gq2G1 ARG 81 HA -0.26 0.07 0.40 -0.75 4.34 3.80 1gq2G1 ARG 81 HB2 -0.04 0.07 0.10 -0.04 1.90 1.99 1gq2G1 ARG 81 HB3 -0.45 -0.01 0.04 -0.04 1.80 1.34 1gq2G1 ARG 81 HG2 -0.57 0.04 0.01 -0.04 1.67 1.10 1gq2G1 ARG 81 HG3 -0.20 0.19 0.01 -0.04 1.67 1.63 1gq2G1 ARG 81 HD2 -0.07 -0.08 -0.07 -0.04 3.22 2.96 1gq2G1 ARG 81 HD3 -0.90 0.03 -0.05 -0.04 3.22 2.26 1gq2G1 TYR 82 H 0.15 0.40 -0.32 -0.55 8.29 7.98 1gq2G1 TYR 82 HA 0.10 0.02 0.36 -0.75 4.56 4.28 1gq2G1 TYR 82 HB2 0.06 -0.03 0.06 -0.04 3.06 3.10 1gq2G1 TYR 82 HB3 0.02 0.17 0.19 -0.04 2.98 3.31 1gq2G1 TYR 82 HD2 0.06 0.13 -0.07 -0.04 7.15 7.23 1gq2G1 TYR 82 HE2 0.08 0.03 -0.07 -0.04 6.85 6.85 1gq2G1 ILE 83 H 0.13 0.43 -0.03 -0.55 8.25 8.23 1gq2G1 ILE 83 HA -0.14 0.06 0.34 -0.75 4.18 3.69 1gq2G1 ILE 83 HB -0.01 -0.01 0.15 -0.04 1.89 1.98 1gq2G1 ILE 83 HG12 0.06 0.12 0.09 -0.04 1.49 1.72 1gq2G1 ILE 83 HG13 0.18 0.07 0.14 -0.04 1.21 1.56 1gq2G1 ILE 83 HG23 -0.05 0.01 -0.06 -0.04 0.93 0.78 1gq2G1 ILE 83 HD13 0.01 -0.06 -0.07 -0.04 0.88 0.72 1gq2G1 LEU 84 H -0.03 0.47 -0.31 -0.55 8.37 7.96 1gq2G1 LEU 84 HA -0.04 -0.02 0.33 -0.75 4.35 3.87 1gq2G1 LEU 84 HB2 -0.04 -0.03 0.05 -0.04 1.64 1.58 1gq2G1 LEU 84 HB3 -0.01 0.09 0.14 -0.04 1.64 1.82 1gq2G1 LEU 84 HG 0.04 -0.00 -0.45 -0.04 1.64 1.18 1gq2G1 LEU 84 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.82 1gq2G1 LEU 84 HD23 0.15 0.00 -0.14 -0.04 0.89 0.86 1gq2G1 LEU 85 H 0.01 0.49 -0.19 -0.55 8.37 8.14 1gq2G1 LEU 85 HA 0.08 -0.05 0.26 -0.75 4.35 3.89 1gq2G1 LEU 85 HB2 0.06 0.17 0.17 -0.04 1.64 1.99 1gq2G1 LEU 85 HB3 0.23 -0.10 0.12 -0.04 1.64 1.85 1gq2G1 LEU 85 HG 0.25 0.22 0.09 -0.04 1.64 2.15 1gq2G1 LEU 85 HD13 0.30 -0.04 -0.03 -0.04 0.93 1.12 1gq2G1 LEU 85 HD23 -0.09 -0.03 -0.04 -0.04 0.89 0.70 1gq2G1 SER 87 HA -0.15 -0.12 0.34 -0.75 4.49 3.81 1gq2G1 SER 87 HB2 -0.08 0.13 0.09 -0.04 3.95 4.06 1gq2G1 SER 87 HB3 -0.08 -0.11 0.02 -0.04 3.93 3.72 1gq2G1 LEU 88 H -0.08 0.54 -1.14 -0.55 8.37 7.14 1gq2G1 LEU 88 HA -0.03 -0.02 0.42 -0.75 4.35 3.96 1gq2G1 LEU 88 HB2 0.03 0.12 0.08 -0.04 1.64 1.83 1gq2G1 LEU 88 HB3 0.20 0.10 0.11 -0.04 1.64 2.01 1gq2G1 LEU 88 HG 0.01 -0.03 -0.03 -0.04 1.64 1.55 1gq2G1 LEU 88 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.85 1gq2G1 LEU 88 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.85 1gq2G1 GLN 89 H -0.39 0.57 0.36 -0.55 8.47 8.47 1gq2G1 GLN 89 HA -0.67 0.03 0.38 -0.75 4.36 3.34 1gq2G1 GLN 89 HB2 -2.37 0.05 0.09 -0.04 2.15 -0.12 1gq2G1 GLN 89 HB3 -0.67 0.05 -0.05 -0.04 2.02 1.30 1gq2G1 GLN 89 HG2 -0.45 0.01 -0.15 -0.04 2.40 1.77 1gq2G1 GLN 89 HG3 -1.09 -0.05 0.03 -0.04 2.39 1.23 1gq2G1 GLN 89 HE21 -0.00 -0.00 -0.07 -0.04 6.97 6.86 1gq2G1 GLN 89 HE22 -0.06 -0.01 -0.06 -0.04 7.69 7.51 1gq2G1 ASP 90 H -0.22 0.20 -0.36 -0.55 8.40 7.47 1gq2G1 ASP 90 HA -0.12 0.10 0.57 -0.75 4.63 4.42 1gq2G1 ASP 90 HB2 -0.13 0.09 0.05 -0.04 2.71 2.69 1gq2G1 ASP 90 HB3 -0.10 -0.01 0.15 -0.04 2.70 2.70 1gq2G1 ARG 91 H -0.11 0.21 -0.59 -0.55 8.46 7.42 1gq2G1 ARG 91 HA -0.03 0.21 0.98 -0.75 4.34 4.74 1gq2G1 ARG 91 HB2 -0.05 0.00 -0.05 -0.04 1.90 1.76 1gq2G1 ARG 91 HB3 -0.04 0.07 0.12 -0.04 1.80 1.91 1gq2G1 ARG 91 HG2 -0.01 -0.06 -0.22 -0.04 1.67 1.34 1gq2G1 ARG 91 HG3 -0.01 0.02 0.03 -0.04 1.67 1.66 1gq2G1 ARG 91 HD2 -0.01 -0.09 -0.04 -0.04 3.22 3.03 1gq2G1 ARG 91 HD3 -0.02 -0.01 -0.02 -0.04 3.22 3.12 1gq2G1 ASN 92 H -0.04 0.66 0.09 -0.55 8.53 8.70 1gq2G1 ASN 92 HA 0.03 0.26 0.75 -0.75 4.76 5.04 1gq2G1 ASN 92 HB2 0.02 0.05 -0.29 -0.04 2.88 2.62 1gq2G1 ASN 92 HB3 0.05 -0.08 0.10 -0.04 2.79 2.81 1gq2G1 ASN 92 HD21 0.14 -0.02 -0.06 -0.04 7.03 7.04 1gq2G1 ASN 92 HD22 0.04 -0.02 -0.21 -0.04 7.74 7.51 1gq2G1 GLU 93 H 0.07 0.82 0.18 -0.55 8.60 9.12 1gq2G1 GLU 93 HA 0.09 0.06 0.41 -0.75 4.29 4.09 1gq2G1 GLU 93 HB2 0.14 0.06 -0.08 -0.04 2.09 2.17 1gq2G1 GLU 93 HB3 0.16 -0.01 0.19 -0.04 1.99 2.29 1gq2G1 GLU 93 HG2 0.46 -0.07 -0.17 -0.04 2.34 2.53 1gq2G1 GLU 93 HG3 0.30 0.01 -0.02 -0.04 2.34 2.59 1gq2G1 LYS 94 H 0.19 0.27 -0.00 -0.55 8.42 8.33 1gq2G1 LYS 94 HA 0.27 0.07 0.38 -0.75 4.32 4.29 1gq2G1 LYS 94 HB2 0.26 -0.07 0.05 -0.04 1.87 2.07 1gq2G1 LYS 94 HB3 -0.18 0.15 -0.06 -0.04 1.79 1.67 1gq2G1 LYS 94 HG2 0.17 0.02 0.06 -0.04 1.46 1.66 1gq2G1 LYS 94 HG3 0.31 -0.04 -0.04 -0.04 1.46 1.65 1gq2G1 LYS 94 HD2 -0.08 0.09 -0.27 -0.04 1.69 1.39 1gq2G1 LYS 94 HD3 0.17 -0.08 0.00 -0.04 1.68 1.73 1gq2G1 LYS 94 HE2 0.01 -0.03 0.03 -0.04 2.99 2.97 1gq2G1 LYS 94 HE3 0.04 -0.14 0.04 -0.04 2.99 2.89 1gq2G1 LEU 95 H 0.14 0.17 -0.27 -0.55 8.37 7.86 1gq2G1 LEU 95 HA -0.03 -0.03 0.39 -0.75 4.35 3.93 1gq2G1 LEU 95 HB2 0.13 -0.01 0.04 -0.04 1.64 1.76 1gq2G1 LEU 95 HB3 0.08 0.19 0.02 -0.04 1.64 1.88 1gq2G1 LEU 95 HG 0.01 0.02 -0.20 -0.04 1.64 1.43 1gq2G1 LEU 95 HD13 -0.00 -0.04 -0.06 -0.04 0.93 0.79 1gq2G1 LEU 95 HD23 0.05 0.02 -0.08 -0.04 0.89 0.84 1gq2G1 PHE 96 H 0.13 0.60 -0.24 -0.55 8.34 8.28 1gq2G1 PHE 96 HA -0.19 -0.02 0.39 -0.75 4.62 4.05 1gq2G1 PHE 96 HB2 -0.19 0.14 -0.07 -0.04 3.15 2.99 1gq2G1 PHE 96 HB3 -0.37 0.18 0.21 -0.04 3.06 3.04 1gq2G1 PHE 96 HD2 -0.90 0.01 -0.02 -0.04 7.28 6.33 1gq2G1 PHE 96 HE2 -0.24 -0.02 0.04 -0.04 7.38 7.12 1gq2G1 PHE 96 HZ -0.11 -0.03 0.00 -0.04 7.32 7.15 1gq2G1 TYR 97 H 0.07 0.58 -0.04 -0.55 8.29 8.35 1gq2G1 TYR 97 HA -0.23 -0.01 0.57 -0.75 4.56 4.13 1gq2G1 TYR 97 HB2 0.19 0.13 0.08 -0.04 3.06 3.41 1gq2G1 TYR 97 HB3 0.09 -0.03 -0.01 -0.04 2.98 2.99 1gq2G1 TYR 97 HD2 0.04 0.00 -0.02 -0.04 7.15 7.13 1gq2G1 TYR 97 HE2 0.10 0.02 0.07 -0.04 6.85 7.00 1gq2G1 LYS 98 H 0.02 0.51 -0.21 -0.55 8.42 8.18 1gq2G1 LYS 98 HA -0.01 0.01 0.40 -0.75 4.32 3.97 1gq2G1 LYS 98 HB2 -0.08 0.14 0.07 -0.04 1.87 1.95 1gq2G1 LYS 98 HB3 -0.07 0.09 0.12 -0.04 1.79 1.89 1gq2G1 LYS 98 HG2 -0.08 -0.11 -0.09 -0.04 1.46 1.13 1gq2G1 LYS 98 HG3 -0.05 -0.02 -0.20 -0.04 1.46 1.15 1gq2G1 LYS 98 HD2 -0.05 0.04 0.01 -0.04 1.69 1.66 1gq2G1 LYS 98 HD3 -0.10 0.04 -0.07 -0.04 1.68 1.51 1gq2G1 LYS 98 HE2 -0.06 -0.12 -0.07 -0.04 2.99 2.70 1gq2G1 LYS 98 HE3 -0.04 0.02 -0.05 -0.04 2.99 2.89 1gq2G1 VAL 99 H -0.16 0.62 -0.18 -0.55 8.24 7.97 1gq2G1 VAL 99 HA -0.16 -0.02 0.41 -0.75 4.13 3.60 1gq2G1 VAL 99 HB -0.41 0.20 0.19 -0.04 2.12 2.05 1gq2G1 VAL 99 HG13 -0.88 -0.03 -0.16 -0.04 0.97 -0.14 1gq2G1 VAL 99 HG23 -0.16 0.05 0.04 -0.04 0.95 0.84 1gq2G1 LEU 100 H -0.40 0.56 -0.03 -0.55 8.37 7.95 1gq2G1 LEU 100 HA -0.10 -0.04 0.34 -0.75 4.35 3.80 1gq2G1 LEU 100 HB2 -0.16 0.08 0.17 -0.04 1.64 1.69 1gq2G1 LEU 100 HB3 -0.08 -0.07 -0.03 -0.04 1.64 1.43 1gq2G1 LEU 100 HG -1.04 0.27 0.10 -0.04 1.64 0.93 1gq2G1 LEU 100 HD13 -0.20 -0.02 -0.01 -0.04 0.93 0.66 1gq2G1 LEU 100 HD23 -0.27 -0.03 0.04 -0.04 0.89 0.58 1gq2G1 THR 101 H -0.03 0.61 -0.21 -0.55 8.28 8.10 1gq2G1 THR 101 HA 0.01 -0.01 0.46 -0.75 4.39 4.09 1gq2G1 THR 101 HB 0.00 -0.07 0.16 -0.04 4.32 4.38 1gq2G1 THR 101 HG23 0.04 0.03 0.09 -0.04 1.22 1.35 1gq2G1 SER 102 H 0.01 0.42 -0.75 -0.55 8.46 7.60 1gq2G1 SER 102 HA 0.01 0.04 0.61 -0.75 4.49 4.39 1gq2G1 SER 102 HB2 0.03 -0.15 0.09 -0.04 3.95 3.87 1gq2G1 SER 102 HB3 -0.01 0.21 0.16 -0.04 3.93 4.25 1gq2G1 ASP 103 H 0.14 0.42 -0.22 -0.55 8.40 8.20 1gq2G1 ASP 103 HA -0.03 0.09 0.56 -0.75 4.63 4.51 1gq2G1 ASP 103 HB2 -0.02 0.10 -0.21 -0.04 2.71 2.54 1gq2G1 ASP 103 HB3 -0.28 -0.02 0.15 -0.04 2.70 2.51 1gq2G1 ILE 104 H -0.00 0.25 -0.02 -0.55 8.25 7.93 1gq2G1 ILE 104 HA 0.03 0.17 0.37 -0.75 4.18 4.00 1gq2G1 ILE 104 HB -0.02 0.13 0.09 -0.04 1.89 2.05 1gq2G1 ILE 104 HG12 -0.07 0.06 -0.10 -0.04 1.49 1.34 1gq2G1 ILE 104 HG13 -0.04 -0.06 -0.19 -0.04 1.21 0.89 1gq2G1 ILE 104 HG23 -0.03 0.01 -0.14 -0.04 0.93 0.73 1gq2G1 ILE 104 HD13 -0.02 0.01 -0.08 -0.04 0.88 0.74 1gq2G1 GLU 105 H -0.05 0.07 -0.25 -0.55 8.60 7.82 1gq2G1 GLU 105 HA -0.02 0.09 0.42 -0.75 4.29 4.02 1gq2G1 GLU 105 HB2 -0.04 0.00 0.01 -0.04 2.09 2.02 1gq2G1 GLU 105 HB3 -0.01 0.05 0.05 -0.04 1.99 2.04 1gq2G1 GLU 105 HG2 -0.01 0.02 -0.03 -0.04 2.34 2.28 1gq2G1 GLU 105 HG3 -0.02 -0.05 -0.01 -0.04 2.34 2.22 1gq2G1 ARG 106 H -0.20 0.37 -0.33 -0.55 8.46 7.75 1gq2G1 ARG 106 HA -0.21 0.11 0.65 -0.75 4.34 4.14 1gq2G1 ARG 106 HB2 -0.34 -0.09 0.04 -0.04 1.90 1.47 1gq2G1 ARG 106 HB3 -0.86 0.13 0.13 -0.04 1.80 1.16 1gq2G1 ARG 106 HG2 -0.98 0.01 -0.22 -0.04 1.67 0.43 1gq2G1 ARG 106 HG3 -0.34 -0.03 0.01 -0.04 1.67 1.26 1gq2G1 ARG 106 HD2 -0.36 -0.03 -0.03 -0.04 3.22 2.76 1gq2G1 ARG 106 HD3 -1.00 0.02 -0.06 -0.04 3.22 2.14 1gq2G1 PHE 107 H -0.23 0.45 0.01 -0.55 8.34 8.02 1gq2G1 PHE 107 HA -0.01 0.18 0.67 -0.75 4.62 4.71 1gq2G1 PHE 107 HB2 -0.11 0.10 0.10 -0.04 3.15 3.20 1gq2G1 PHE 107 HB3 -0.08 -0.05 0.09 -0.04 3.06 2.98 1gq2G1 PHE 107 HD2 -0.22 0.04 -0.07 -0.04 7.28 6.99 1gq2G1 PHE 107 HE2 -1.17 0.01 -0.08 -0.04 7.38 6.10 1gq2G1 PHE 107 HZ -0.43 -0.02 -0.08 -0.04 7.32 6.74 1gq2G1 PRO 109 HA 0.09 0.23 0.17 -0.51 4.44 4.42 1gq2G1 PRO 109 HB2 0.06 0.01 -0.13 -0.04 2.28 2.18 1gq2G1 PRO 109 HB3 0.03 -0.09 0.12 -0.04 2.02 2.04 1gq2G1 PRO 109 HG2 0.00 0.11 0.07 -0.04 2.03 2.17 1gq2G1 PRO 109 HG3 0.03 -0.06 0.10 -0.04 2.03 2.05 1gq2G1 PRO 109 HD2 0.02 0.20 -0.52 -0.04 3.68 3.34 1gq2G1 PRO 109 HD3 0.02 0.09 -0.09 -0.04 3.65 3.62 1gq2G1 ILE 110 H 0.18 0.44 -1.31 -0.55 8.25 7.02 1gq2G1 ILE 110 HA 0.19 0.01 0.72 -0.75 4.18 4.35 1gq2G1 ILE 110 HB 0.35 0.12 0.10 -0.04 1.89 2.42 1gq2G1 ILE 110 HG12 0.26 0.11 -0.12 -0.04 1.49 1.70 1gq2G1 ILE 110 HG13 0.65 0.03 -0.06 -0.04 1.21 1.79 1gq2G1 ILE 110 HG23 0.31 0.01 -0.26 -0.04 0.93 0.95 1gq2G1 ILE 110 HD13 0.18 -0.02 -0.10 -0.04 0.88 0.90 1gq2G1 VAL 111 H 0.23 0.54 0.30 -0.55 8.24 8.77 1gq2G1 VAL 111 HA 0.33 0.14 0.56 -0.75 4.13 4.41 1gq2G1 VAL 111 HB 0.17 0.03 0.09 -0.04 2.12 2.38 1gq2G1 VAL 111 HG13 0.23 -0.01 -0.10 -0.04 0.97 1.05 1gq2G1 VAL 111 HG23 0.15 0.01 0.04 -0.04 0.95 1.12 1gq2G1 TYR 112 H 0.27 0.08 -0.38 -0.55 8.29 7.72 1gq2G1 TYR 112 HA 0.11 0.16 0.64 -0.75 4.56 4.72 1gq2G1 TYR 112 HB2 0.11 0.07 -0.22 -0.04 3.06 2.97 1gq2G1 TYR 112 HB3 0.07 0.13 -0.07 -0.04 2.98 3.07 1gq2G1 TYR 112 HD2 0.08 0.14 -0.05 -0.04 7.15 7.28 1gq2G1 TYR 112 HE2 0.11 -0.01 -0.06 -0.04 6.85 6.85 1gq2G1 THR 113 H -0.84 0.13 0.06 -0.55 8.28 7.08 1gq2G1 THR 113 HA -0.16 -0.11 0.34 -0.75 4.39 3.71 1gq2G1 THR 113 HB -0.14 0.14 0.08 -0.04 4.32 4.36 1gq2G1 THR 113 HG23 -0.11 0.00 -0.00 -0.04 1.22 1.07 1gq2G1 PRO 114 HA -0.09 -0.09 0.47 -0.51 4.44 4.23 1gq2G1 PRO 114 HB2 -0.05 -0.02 0.10 -0.04 2.28 2.27 1gq2G1 PRO 114 HB3 -0.08 -0.18 0.21 -0.04 2.02 1.94 1gq2G1 PRO 114 HG2 -0.02 0.08 0.11 -0.04 2.03 2.16 1gq2G1 PRO 114 HG3 -0.05 0.07 0.14 -0.04 2.03 2.15 1gq2G1 PRO 114 HD2 0.01 0.32 0.41 -0.04 3.68 4.38 1gq2G1 PRO 114 HD3 -0.05 0.15 0.37 -0.04 3.65 4.08 1gq2G1 THR 115 H 0.02 0.66 0.19 -0.55 8.28 8.60 1gq2G1 THR 115 HA -0.01 -0.12 0.40 -0.75 4.39 3.91 1gq2G1 THR 115 HB 0.11 0.31 0.29 -0.04 4.32 4.99 1gq2G1 THR 115 HG23 0.06 -0.03 -0.09 -0.04 1.22 1.12 1gq2G1 VAL 116 H 0.00 0.56 -0.49 -0.55 8.24 7.76 1gq2G1 VAL 116 HA -0.10 0.17 0.23 -0.75 4.13 3.68 1gq2G1 VAL 116 HB 0.10 0.11 -0.35 -0.04 2.12 1.94 1gq2G1 VAL 116 HG13 -0.14 -0.07 -0.44 -0.04 0.97 0.29 1gq2G1 VAL 116 HG23 0.12 -0.00 -0.06 -0.04 0.95 0.96 1gq2G1 GLY 117 H -0.07 0.45 -0.46 -0.55 8.43 7.81 1gq2G1 GLY 117 HA2 -0.07 0.07 0.42 -0.51 4.01 3.92 1gq2G1 GLY 117 HA3 -0.06 -0.02 0.24 -0.51 4.01 3.65 1gq2G1 LEU 118 H -0.05 0.28 -0.07 -0.55 8.37 7.98 1gq2G1 LEU 118 HA 0.01 0.01 0.40 -0.75 4.35 4.01 1gq2G1 LEU 118 HB2 -0.00 -0.07 0.08 -0.04 1.64 1.61 1gq2G1 LEU 118 HB3 -0.03 0.19 0.12 -0.04 1.64 1.88 1gq2G1 LEU 118 HG 0.03 -0.06 -0.00 -0.04 1.64 1.57 1gq2G1 LEU 118 HD13 0.02 0.01 -0.19 -0.04 0.93 0.73 1gq2G1 LEU 118 HD23 0.18 -0.01 0.03 -0.04 0.89 1.05 1gq2G1 ALA 119 H -0.18 0.51 -0.32 -0.55 8.40 7.86 1gq2G1 ALA 119 HA -0.17 0.03 0.32 -0.75 4.34 3.77 1gq2G1 ALA 119 HB3 -0.79 0.06 -0.00 -0.04 1.41 0.63 1gq2G1 CYS 120 H -0.09 0.37 -0.23 -0.55 8.50 8.00 1gq2G1 CYS 120 HA -0.06 0.21 0.43 -0.75 4.58 4.40 1gq2G1 CYS 120 HB2 -0.06 0.03 0.07 -0.04 2.97 2.97 1gq2G1 CYS 120 HB3 -0.04 -0.11 -0.17 -0.04 2.97 2.61 1gq2G1 GLN 121 H -0.07 0.43 -0.33 -0.55 8.47 7.96 1gq2G1 GLN 121 HA -0.00 -0.01 0.39 -0.75 4.36 3.98 1gq2G1 GLN 121 HB2 -0.22 0.14 0.06 -0.04 2.15 2.09 1gq2G1 GLN 121 HB3 -0.29 -0.07 0.06 -0.04 2.02 1.68 1gq2G1 GLN 121 HG2 -0.05 -0.05 0.00 -0.04 2.40 2.26 1gq2G1 GLN 121 HG3 -0.06 0.28 0.05 -0.04 2.39 2.61 1gq2G1 GLN 121 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.83 1gq2G1 GLN 121 HE22 -0.03 0.02 -0.01 -0.04 7.69 7.63 1gq2G1 HIS 122 H -0.05 0.43 -0.59 -0.55 8.41 7.65 1gq2G1 HIS 122 HA -0.08 0.10 0.85 -0.75 4.63 4.75 1gq2G1 HIS 122 HB2 -0.07 0.12 0.07 -0.04 3.26 3.35 1gq2G1 HIS 122 HB3 -0.05 -0.10 0.18 -0.04 3.20 3.19 1gq2G1 HIS 122 HD2 0.01 -0.02 0.02 -0.04 6.97 6.94 1gq2G1 HIS 122 HE1 -0.00 -0.06 -0.03 -0.04 7.75 7.61 1gq2G1 TYR 123 H -0.40 0.38 -0.18 -0.55 8.29 7.53 1gq2G1 TYR 123 HA -0.13 0.08 0.33 -0.75 4.56 4.09 1gq2G1 TYR 123 HB2 -0.36 0.17 0.31 -0.04 3.06 3.15 1gq2G1 TYR 123 HB3 -0.65 -0.13 0.07 -0.04 2.98 2.22 1gq2G1 TYR 123 HD2 0.07 -0.07 -0.16 -0.04 7.15 6.95 1gq2G1 TYR 123 HE2 0.29 -0.03 -0.04 -0.04 6.85 7.02 1gq2G1 GLY 124 H -1.10 0.04 -0.28 -0.55 8.43 6.53 1gq2G1 GLY 124 HA2 0.04 0.11 0.33 -0.51 4.01 3.98 1gq2G1 GLY 124 HA3 0.17 0.02 0.16 -0.51 4.01 3.86 1gq2G1 LEU 125 H -0.02 0.09 -0.31 -0.55 8.37 7.58 1gq2G1 LEU 125 HA 0.03 0.08 0.50 -0.75 4.35 4.21 1gq2G1 LEU 125 HB2 0.07 -0.12 0.12 -0.04 1.64 1.67 1gq2G1 LEU 125 HB3 0.01 0.06 0.05 -0.04 1.64 1.72 1gq2G1 LEU 125 HG 0.03 -0.03 0.02 -0.04 1.64 1.62 1gq2G1 LEU 125 HD13 -0.03 -0.03 -0.01 -0.04 0.93 0.83 1gq2G1 LEU 125 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.83 1gq2G1 ALA 126 H -0.03 0.54 0.01 -0.55 8.40 8.37 1gq2G1 ALA 126 HA -0.00 0.03 0.43 -0.75 4.34 4.05 1gq2G1 ALA 126 HB3 0.05 -0.03 0.03 -0.04 1.41 1.42 1gq2G1 PHE 127 H 0.02 0.23 -0.55 -0.55 8.34 7.49 1gq2G1 PHE 127 HA -0.25 -0.06 0.31 -0.75 4.62 3.87 1gq2G1 PHE 127 HB2 -0.23 0.09 0.07 -0.04 3.15 3.05 1gq2G1 PHE 127 HB3 -0.10 0.05 0.02 -0.04 3.06 2.99 1gq2G1 PHE 127 HD2 -0.21 0.01 -0.19 -0.04 7.28 6.85 1gq2G1 PHE 127 HE2 0.03 -0.02 -0.12 -0.04 7.38 7.23 1gq2G1 PHE 127 HZ -0.04 -0.07 -0.14 -0.04 7.32 7.03 1gq2G1 ARG 128 H -0.79 0.10 0.08 -0.55 8.46 7.30 1gq2G1 ARG 128 HA -0.14 0.14 0.84 -0.75 4.34 4.43 1gq2G1 ARG 128 HB2 -0.25 -0.09 0.24 -0.04 1.90 1.75 1gq2G1 ARG 128 HB3 -0.15 -0.04 0.08 -0.04 1.80 1.64 1gq2G1 ARG 128 HG2 -0.15 0.26 -0.32 -0.04 1.67 1.43 1gq2G1 ARG 128 HG3 -0.12 -0.02 -0.00 -0.04 1.67 1.49 1gq2G1 ARG 128 HD2 -0.07 -0.10 0.02 -0.04 3.22 3.02 1gq2G1 ARG 128 HD3 -0.06 0.30 -0.09 -0.04 3.22 3.33 1gq2G1 ARG 129 H -0.38 0.17 0.20 -0.55 8.46 7.90 1gq2G1 ARG 129 HA -0.19 0.19 0.91 -0.75 4.34 4.49 1gq2G1 ARG 129 HB2 -0.17 -0.04 0.14 -0.04 1.90 1.78 1gq2G1 ARG 129 HB3 -0.11 0.13 0.09 -0.04 1.80 1.87 1gq2G1 ARG 129 HG2 -0.09 0.02 -0.02 -0.04 1.67 1.54 1gq2G1 ARG 129 HG3 -0.12 -0.05 -0.02 -0.04 1.67 1.44 1gq2G1 ARG 129 HD2 -0.07 0.05 0.05 -0.04 3.22 3.20 1gq2G1 ARG 129 HD3 -0.06 0.05 0.07 -0.04 3.22 3.24 1gq2G1 PRO 130 HA 0.17 0.06 0.55 -0.51 4.44 4.71 1gq2G1 PRO 130 HB2 0.29 0.06 -0.03 -0.04 2.28 2.56 1gq2G1 PRO 130 HB3 0.42 -0.00 0.05 -0.04 2.02 2.45 1gq2G1 PRO 130 HG2 0.09 0.05 0.06 -0.04 2.03 2.19 1gq2G1 PRO 130 HG3 0.11 0.01 0.06 -0.04 2.03 2.17 1gq2G1 PRO 130 HD2 -0.01 0.08 0.25 -0.04 3.68 3.96 1gq2G1 PRO 130 HD3 0.11 0.15 0.16 -0.04 3.65 4.03 1gq2G1 ARG 131 H 0.42 0.23 0.14 -0.55 8.46 8.69 1gq2G1 ARG 131 HA 0.19 0.12 0.67 -0.75 4.34 4.57 1gq2G1 ARG 131 HB2 0.05 0.11 -0.09 -0.04 1.90 1.93 1gq2G1 ARG 131 HB3 0.14 -0.04 -0.02 -0.04 1.80 1.84 1gq2G1 ARG 131 HG2 0.11 -0.09 -0.24 -0.04 1.67 1.42 1gq2G1 ARG 131 HG3 0.16 -0.01 -0.06 -0.04 1.67 1.73 1gq2G1 ARG 131 HD2 0.01 0.00 -0.10 -0.04 3.22 3.09 1gq2G1 ARG 131 HD3 0.05 -0.06 -0.08 -0.04 3.22 3.09 1gq2G1 GLY 132 H 0.45 0.13 0.09 -0.55 8.43 8.56 1gq2G1 GLY 132 HA2 0.07 0.08 0.41 -0.51 4.01 4.05 1gq2G1 GLY 132 HA3 -0.07 0.11 0.65 -0.51 4.01 4.19 1gq2G1 LEU 133 H -0.31 0.62 0.32 -0.55 8.37 8.46 1gq2G1 LEU 133 HA 0.19 0.14 0.74 -0.75 4.35 4.66 1gq2G1 LEU 133 HB2 -0.43 0.07 0.09 -0.04 1.64 1.33 1gq2G1 LEU 133 HB3 -0.15 -0.11 0.00 -0.04 1.64 1.34 1gq2G1 LEU 133 HG 0.01 0.06 -0.07 -0.04 1.64 1.60 1gq2G1 LEU 133 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 1gq2G1 LEU 133 HD23 0.16 -0.01 -0.10 -0.04 0.89 0.91 1gq2G1 PHE 134 H 0.36 0.24 0.06 -0.55 8.34 8.45 1gq2G1 PHE 134 HA -0.03 0.16 0.95 -0.75 4.62 4.94 1gq2G1 PHE 134 HB2 0.03 0.01 0.15 -0.04 3.15 3.30 1gq2G1 PHE 134 HB3 -0.01 -0.07 -0.01 -0.04 3.06 2.92 1gq2G1 PHE 134 HD2 0.04 -0.04 -0.09 -0.04 7.28 7.14 1gq2G1 PHE 134 HE2 0.13 0.04 -0.18 -0.04 7.38 7.33 1gq2G1 PHE 134 HZ 0.27 0.01 -0.06 -0.04 7.32 7.50 1gq2G1 ILE 135 H -0.05 0.26 0.14 -0.55 8.25 8.05 1gq2G1 ILE 135 HA 0.06 0.17 0.84 -0.75 4.18 4.50 1gq2G1 ILE 135 HB -0.11 -0.02 0.06 -0.04 1.89 1.78 1gq2G1 ILE 135 HG12 0.06 0.10 -0.14 -0.04 1.49 1.47 1gq2G1 ILE 135 HG13 -0.01 -0.06 -0.27 -0.04 1.21 0.83 1gq2G1 ILE 135 HG23 0.03 0.01 -0.11 -0.04 0.93 0.82 1gq2G1 ILE 135 HD13 0.13 0.02 -0.06 -0.04 0.88 0.92 1gq2G1 THR 136 H 0.05 0.19 0.13 -0.55 8.28 8.11 1gq2G1 THR 136 HA -0.01 0.33 0.96 -0.75 4.39 4.92 1gq2G1 THR 136 HB 0.09 0.08 0.06 -0.04 4.32 4.51 1gq2G1 THR 136 HG23 0.09 -0.04 -0.01 -0.04 1.22 1.22 1gq2G1 ILE 137 H -0.08 0.46 0.28 -0.55 8.25 8.35 1gq2G1 ILE 137 HA -0.05 0.08 0.38 -0.75 4.18 3.84 1gq2G1 ILE 137 HB -0.04 -0.00 0.18 -0.04 1.89 1.99 1gq2G1 ILE 137 HG12 -0.04 -0.01 -0.02 -0.04 1.49 1.38 1gq2G1 ILE 137 HG13 -0.05 0.02 -0.08 -0.04 1.21 1.05 1gq2G1 ILE 137 HG23 -0.42 0.04 0.02 -0.04 0.93 0.53 1gq2G1 ILE 137 HD13 0.02 -0.02 -0.10 -0.04 0.88 0.74 1gq2G1 HIS 138 H -0.12 0.06 -0.30 -0.55 8.41 7.50 1gq2G1 HIS 138 HA 0.06 0.12 0.45 -0.75 4.63 4.50 1gq2G1 HIS 138 HB2 0.06 0.02 -0.03 -0.04 3.26 3.27 1gq2G1 HIS 138 HB3 0.05 0.06 0.11 -0.04 3.20 3.38 1gq2G1 HIS 138 HD2 0.12 0.03 -0.01 -0.04 6.97 7.06 1gq2G1 HIS 138 HE1 -0.04 0.01 -0.05 -0.04 7.75 7.62 1gq2G1 ASP 139 H 0.08 0.54 -0.56 -0.55 8.40 7.92 1gq2G1 ASP 139 HA 0.17 0.25 0.81 -0.75 4.63 5.11 1gq2G1 ASP 139 HB2 0.08 0.05 0.05 -0.04 2.71 2.85 1gq2G1 ASP 139 HB3 0.12 0.01 0.07 -0.04 2.70 2.86 1gq2G1 ARG 140 H 0.08 0.25 -0.26 -0.55 8.46 7.97 1gq2G1 ARG 140 HA 0.03 -0.03 0.40 -0.75 4.34 3.98 1gq2G1 ARG 140 HB2 0.05 0.14 0.14 -0.04 1.90 2.18 1gq2G1 ARG 140 HB3 0.02 -0.00 -0.08 -0.04 1.80 1.70 1gq2G1 ARG 140 HG2 0.01 -0.02 -0.02 -0.04 1.67 1.60 1gq2G1 ARG 140 HG3 0.01 -0.00 0.08 -0.04 1.67 1.71 1gq2G1 ARG 140 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.15 1gq2G1 ARG 140 HD3 0.02 0.04 0.05 -0.04 3.22 3.29 1gq2G1 GLY 141 H -0.03 0.09 0.19 -0.55 8.43 8.14 1gq2G1 GLY 141 HA2 -0.13 0.00 0.36 -0.51 4.01 3.73 1gq2G1 GLY 141 HA3 -0.26 0.17 0.64 -0.51 4.01 4.05 1gq2G1 HIS 142 H 0.02 0.47 -0.09 -0.55 8.41 8.27 1gq2G1 HIS 142 HA 0.01 0.17 0.91 -0.75 4.63 4.97 1gq2G1 HIS 142 HB2 0.03 0.11 -0.00 -0.04 3.26 3.36 1gq2G1 HIS 142 HB3 0.03 -0.04 0.13 -0.04 3.20 3.28 1gq2G1 HIS 142 HD2 0.03 0.08 -0.22 -0.04 6.97 6.82 1gq2G1 HIS 142 HE1 0.02 -0.04 -0.03 -0.04 7.75 7.64 1gq2G1 ILE 143 H 0.04 -0.01 0.06 -0.55 8.25 7.79 1gq2G1 ILE 143 HA 0.07 0.10 0.35 -0.75 4.18 3.96 1gq2G1 ILE 143 HB 0.02 -0.03 0.00 -0.04 1.89 1.83 1gq2G1 ILE 143 HG12 0.08 0.02 -0.04 -0.04 1.49 1.50 1gq2G1 ILE 143 HG13 0.05 -0.11 0.01 -0.04 1.21 1.11 1gq2G1 ILE 143 HG23 0.07 0.03 -0.16 -0.04 0.93 0.83 1gq2G1 ILE 143 HD13 0.11 -0.00 -0.11 -0.04 0.88 0.85 1gq2G1 ALA 144 H -0.01 -0.00 -0.20 -0.55 8.40 7.64 1gq2G1 ALA 144 HA -0.07 0.13 0.32 -0.75 4.34 3.96 1gq2G1 ALA 144 HB3 -0.04 -0.01 0.00 -0.04 1.41 1.33 1gq2G1 THR 145 H 0.05 0.04 -0.46 -0.55 8.28 7.37 1gq2G1 THR 145 HA 0.03 0.04 0.23 -0.75 4.39 3.95 1gq2G1 THR 145 HB 0.10 0.22 0.15 -0.04 4.32 4.75 1gq2G1 THR 145 HG23 0.04 -0.02 0.08 -0.04 1.22 1.28 1gq2G1 LEU 147 HA 0.10 -0.12 0.25 -0.75 4.35 3.83 1gq2G1 LEU 147 HB2 -0.08 0.15 -0.05 -0.04 1.64 1.61 1gq2G1 LEU 147 HB3 -0.12 0.01 -0.01 -0.04 1.64 1.48 1gq2G1 LEU 147 HG -0.05 0.20 -0.02 -0.04 1.64 1.74 1gq2G1 LEU 147 HD13 -0.29 -0.05 -0.22 -0.04 0.93 0.33 1gq2G1 LEU 147 HD23 -0.06 -0.03 -0.04 -0.04 0.89 0.72 1gq2G1 GLN 148 H 0.06 0.47 -0.67 -0.55 8.47 7.78 1gq2G1 GLN 148 HA 0.09 0.10 0.48 -0.75 4.36 4.28 1gq2G1 GLN 148 HB2 0.05 0.20 0.27 -0.04 2.15 2.63 1gq2G1 GLN 148 HB3 0.05 -0.11 0.03 -0.04 2.02 1.94 1gq2G1 GLN 148 HG2 0.02 -0.02 0.01 -0.04 2.40 2.37 1gq2G1 GLN 148 HG3 0.02 0.22 0.06 -0.04 2.39 2.65 1gq2G1 GLN 148 HE21 0.02 -0.10 -0.02 -0.04 6.97 6.82 1gq2G1 GLN 148 HE22 0.01 0.03 -0.04 -0.04 7.69 7.65 1gq2G1 SER 149 H 0.11 0.21 -0.01 -0.55 8.46 8.23 1gq2G1 SER 149 HA 0.07 -0.01 0.29 -0.75 4.49 4.09 1gq2G1 SER 149 HB2 0.15 0.01 -0.09 -0.04 3.95 3.98 1gq2G1 SER 149 HB3 0.11 -0.04 0.01 -0.04 3.93 3.97 1gq2G1 TRP 150 H 0.32 0.24 -0.98 -0.55 7.97 6.99 1gq2G1 TRP 150 HA 0.03 -0.00 0.52 -0.75 4.62 4.42 1gq2G1 TRP 150 HB2 0.06 -0.15 -0.01 -0.04 3.23 3.09 1gq2G1 TRP 150 HB3 0.08 0.35 0.11 -0.04 3.23 3.73 1gq2G1 TRP 150 HD1 -0.04 0.35 -0.08 -0.04 7.22 7.41 1gq2G1 TRP 150 HE1 -0.16 0.08 -0.06 -0.04 10.20 10.03 1gq2G1 TRP 150 HE3 0.04 -0.01 -0.12 -0.04 7.59 7.46 1gq2G1 TRP 150 HZ2 -0.06 0.12 0.08 -0.04 7.44 7.54 1gq2G1 TRP 150 HZ3 0.05 0.07 -0.27 -0.04 7.13 6.93 1gq2G1 TRP 150 HH2 -0.01 -0.15 0.07 -0.04 7.19 7.07 1gq2G1 PRO 151 HA -0.12 0.03 0.34 -0.51 4.44 4.17 1gq2G1 PRO 151 HB2 -0.24 -0.02 0.01 -0.04 2.28 1.99 1gq2G1 PRO 151 HB3 -0.24 -0.01 0.13 -0.04 2.02 1.86 1gq2G1 PRO 151 HG2 -1.07 -0.05 0.10 -0.04 2.03 0.97 1gq2G1 PRO 151 HG3 -0.69 0.01 0.10 -0.04 2.03 1.42 1gq2G1 PRO 151 HD2 -1.57 0.03 0.23 -0.04 3.68 2.33 1gq2G1 PRO 151 HD3 -0.48 0.17 0.26 -0.04 3.65 3.56 1gq2G1 GLU 152 H -0.52 0.04 -0.21 -0.55 8.60 7.37 1gq2G1 GLU 152 HA -0.08 -0.00 0.58 -0.75 4.29 4.04 1gq2G1 GLU 152 HB2 0.12 -0.03 0.04 -0.04 2.09 2.19 1gq2G1 GLU 152 HB3 0.02 0.02 -0.18 -0.04 1.99 1.81 1gq2G1 GLU 152 HG2 -0.83 -0.12 0.02 -0.04 2.34 1.37 1gq2G1 GLU 152 HG3 -0.68 0.41 0.13 -0.04 2.34 2.16 1gq2G1 SER 153 H 0.05 0.04 0.20 -0.55 8.46 8.20 1gq2G1 SER 153 HA 0.25 0.29 0.81 -0.75 4.49 5.08 1gq2G1 SER 153 HB2 0.10 -0.00 0.11 -0.04 3.95 4.12 1gq2G1 SER 153 HB3 0.08 0.06 0.03 -0.04 3.93 4.06 1gq2G1 VAL 154 H 0.02 -0.01 -0.03 -0.55 8.24 7.68 1gq2G1 VAL 154 HA 0.06 0.28 0.92 -0.75 4.13 4.64 1gq2G1 VAL 154 HB 0.04 0.01 -0.02 -0.04 2.12 2.11 1gq2G1 VAL 154 HG13 0.01 -0.04 0.11 -0.04 0.97 1.01 1gq2G1 VAL 154 HG23 0.01 0.01 -0.13 -0.04 0.95 0.80 1gq2G1 ILE 155 H -0.28 0.32 0.02 -0.55 8.25 7.76 1gq2G1 ILE 155 HA -0.24 0.17 0.83 -0.75 4.18 4.19 1gq2G1 ILE 155 HB -1.86 0.01 -0.05 -0.04 1.89 -0.05 1gq2G1 ILE 155 HG12 -0.70 -0.06 -0.21 -0.04 1.49 0.48 1gq2G1 ILE 155 HG13 -0.28 0.08 -0.30 -0.04 1.21 0.66 1gq2G1 ILE 155 HG23 -0.44 -0.00 -0.29 -0.04 0.93 0.17 1gq2G1 ILE 155 HD13 -0.26 -0.04 -0.55 -0.04 0.88 -0.02 1gq2G1 LYS 156 H -0.11 0.69 0.36 -0.55 8.42 8.80 1gq2G1 LYS 156 HA -0.04 0.28 0.96 -0.75 4.32 4.77 1gq2G1 LYS 156 HB2 -0.00 -0.03 0.05 -0.04 1.87 1.85 1gq2G1 LYS 156 HB3 0.01 -0.03 0.06 -0.04 1.79 1.80 1gq2G1 LYS 156 HG2 0.01 0.10 -0.11 -0.04 1.46 1.42 1gq2G1 LYS 156 HG3 -0.02 -0.04 -0.32 -0.04 1.46 1.04 1gq2G1 LYS 156 HD2 0.02 -0.06 -0.05 -0.04 1.69 1.56 1gq2G1 LYS 156 HD3 0.03 0.02 -0.05 -0.04 1.68 1.64 1gq2G1 LYS 156 HE2 0.03 0.04 -0.07 -0.04 2.99 2.95 1gq2G1 LYS 156 HE3 0.03 -0.02 -0.10 -0.04 2.99 2.86 1gq2G1 ALA 157 H -0.10 0.40 0.30 -0.55 8.40 8.45 1gq2G1 ALA 157 HA 0.00 0.27 0.91 -0.75 4.34 4.77 1gq2G1 ALA 157 HB3 0.14 -0.02 -0.08 -0.04 1.41 1.41 1gq2G1 ILE 158 H -0.07 0.61 0.32 -0.55 8.25 8.56 1gq2G1 ILE 158 HA -0.21 0.22 0.98 -0.75 4.18 4.41 1gq2G1 ILE 158 HB -0.13 0.03 0.09 -0.04 1.89 1.85 1gq2G1 ILE 158 HG12 -0.24 0.07 -0.03 -0.04 1.49 1.25 1gq2G1 ILE 158 HG13 -0.19 0.01 -0.46 -0.04 1.21 0.53 1gq2G1 ILE 158 HG23 -0.07 -0.02 -0.26 -0.04 0.93 0.54 1gq2G1 ILE 158 HD13 -0.11 -0.00 -0.14 -0.04 0.88 0.59 1gq2G1 VAL 159 H -0.23 0.48 0.23 -0.55 8.24 8.17 1gq2G1 VAL 159 HA -0.20 0.23 1.07 -0.75 4.13 4.48 1gq2G1 VAL 159 HB -0.25 0.02 0.19 -0.04 2.12 2.04 1gq2G1 VAL 159 HG13 -0.18 -0.02 -0.07 -0.04 0.97 0.66 1gq2G1 VAL 159 HG23 -0.40 -0.01 -0.18 -0.04 0.95 0.32 1gq2G1 VAL 160 H -0.20 0.47 0.25 -0.55 8.24 8.21 1gq2G1 VAL 160 HA -0.20 0.42 1.23 -0.75 4.13 4.82 1gq2G1 VAL 160 HB -0.18 -0.03 -0.07 -0.04 2.12 1.79 1gq2G1 VAL 160 HG13 -0.32 0.02 -0.11 -0.04 0.97 0.52 1gq2G1 VAL 160 HG23 -0.47 -0.04 -0.12 -0.04 0.95 0.28 1gq2G1 THR 161 H -0.24 0.69 0.52 -0.55 8.28 8.70 1gq2G1 THR 161 HA -0.53 0.04 0.74 -0.75 4.39 3.89 1gq2G1 THR 161 HB -0.15 0.02 -0.11 -0.04 4.32 4.04 1gq2G1 THR 161 HG23 -0.21 0.08 -0.09 -0.04 1.22 0.97 1gq2G1 ASP 162 H -0.94 0.01 0.24 -0.55 8.40 7.17 1gq2G1 ASP 162 HA -0.26 0.59 1.01 -0.75 4.63 5.21 1gq2G1 ASP 162 HB2 -0.07 0.07 0.29 -0.04 2.71 2.96 1gq2G1 ASP 162 HB3 -0.30 0.05 0.07 -0.04 2.70 2.48 1gq2G1 GLY 163 H -0.32 0.07 0.10 -0.55 8.43 7.74 1gq2G1 GLY 163 HA2 -0.13 0.05 0.34 -0.51 4.01 3.76 1gq2G1 GLY 163 HA3 -0.10 0.32 0.42 -0.51 4.01 4.15 1gq2G1 GLU 164 H -0.16 0.08 -0.01 -0.55 8.60 7.97 1gq2G1 GLU 164 HA -0.05 0.07 0.80 -0.75 4.29 4.35 1gq2G1 GLU 164 HB2 -0.05 0.12 0.07 -0.04 2.09 2.19 1gq2G1 GLU 164 HB3 -0.03 -0.18 0.13 -0.04 1.99 1.87 1gq2G1 GLU 164 HG2 -0.01 -0.10 -0.05 -0.04 2.34 2.14 1gq2G1 GLU 164 HG3 -0.03 0.02 0.14 -0.04 2.34 2.43 1gq2G1 ARG 165 H -0.05 0.42 -0.13 -0.55 8.46 8.14 1gq2G1 ARG 165 HA -0.01 0.19 0.65 -0.75 4.34 4.42 1gq2G1 ARG 165 HB2 0.02 -0.17 -0.47 -0.04 1.90 1.24 1gq2G1 ARG 165 HB3 0.03 -0.03 -0.17 -0.04 1.80 1.58 1gq2G1 ARG 165 HG2 0.01 0.06 -0.00 -0.04 1.67 1.69 1gq2G1 ARG 165 HG3 0.03 -0.14 -0.02 -0.04 1.67 1.49 1gq2G1 ARG 165 HD2 0.00 0.19 -0.24 -0.04 3.22 3.13 1gq2G1 ARG 165 HD3 0.01 0.03 -0.06 -0.04 3.22 3.16 1gq2G1 ILE 166 H -0.03 0.72 -0.07 -0.55 8.25 8.32 1gq2G1 ILE 166 HA -0.04 0.01 0.64 -0.75 4.18 4.03 1gq2G1 ILE 166 HB -0.03 0.08 0.02 -0.04 1.89 1.92 1gq2G1 ILE 166 HG12 -0.06 -0.11 -0.10 -0.04 1.49 1.17 1gq2G1 ILE 166 HG13 -0.05 0.07 -0.05 -0.04 1.21 1.13 1gq2G1 ILE 166 HG23 -0.05 -0.00 -0.19 -0.04 0.93 0.65 1gq2G1 ILE 166 HD13 -0.09 0.01 0.00 -0.04 0.88 0.77 1gq2G1 LEU 167 H -0.03 0.12 0.20 -0.55 8.37 8.12 1gq2G1 LEU 167 HA -0.02 0.01 0.29 -0.75 4.35 3.87 1gq2G1 LEU 167 HB2 -0.04 0.18 -0.04 -0.04 1.64 1.70 1gq2G1 LEU 167 HB3 -0.04 -0.02 -0.13 -0.04 1.64 1.41 1gq2G1 LEU 167 HG -0.07 -0.02 -0.22 -0.04 1.64 1.29 1gq2G1 LEU 167 HD13 -0.09 0.01 -0.14 -0.04 0.93 0.67 1gq2G1 LEU 167 HD23 -0.10 -0.01 -0.03 -0.04 0.89 0.71 1gq2G1 GLY 168 H -0.02 0.53 0.23 -0.55 8.43 8.63 1gq2G1 GLY 168 HA2 -0.00 0.06 0.70 -0.51 4.01 4.26 1gq2G1 GLY 168 HA3 -0.00 0.04 0.45 -0.51 4.01 3.99 1gq2G1 LEU 169 H -0.02 0.62 -0.46 -0.55 8.37 7.96 1gq2G1 LEU 169 HA -0.01 0.17 0.78 -0.75 4.35 4.53 1gq2G1 LEU 169 HB2 -0.02 0.14 -0.03 -0.04 1.64 1.68 1gq2G1 LEU 169 HB3 -0.02 -0.02 0.06 -0.04 1.64 1.62 1gq2G1 LEU 169 HG -0.03 -0.13 -0.05 -0.04 1.64 1.40 1gq2G1 LEU 169 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.76 1gq2G1 LEU 169 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 1gq2G1 GLY 170 H -0.01 0.11 -0.25 -0.55 8.43 7.73 1gq2G1 GLY 170 HA2 -0.01 -0.00 0.26 -0.51 4.01 3.75 1gq2G1 GLY 170 HA3 -0.01 0.13 0.55 -0.51 4.01 4.16 1gq2G1 ASP 171 H -0.02 0.11 0.19 -0.55 8.40 8.13 1gq2G1 ASP 171 HA -0.03 0.16 0.80 -0.75 4.63 4.80 1gq2G1 ASP 171 HB2 -0.03 0.05 0.24 -0.04 2.71 2.94 1gq2G1 ASP 171 HB3 -0.04 -0.04 0.27 -0.04 2.70 2.85 1gq2G1 LEU 172 H -0.02 0.47 0.28 -0.55 8.37 8.54 1gq2G1 LEU 172 HA 0.01 0.17 0.83 -0.75 4.35 4.60 1gq2G1 LEU 172 HB2 0.00 0.00 -0.06 -0.04 1.64 1.55 1gq2G1 LEU 172 HB3 0.11 0.01 -0.07 -0.04 1.64 1.65 1gq2G1 LEU 172 HG -0.00 0.01 -0.38 -0.04 1.64 1.23 1gq2G1 LEU 172 HD13 0.02 0.02 -0.29 -0.04 0.93 0.64 1gq2G1 LEU 172 HD23 0.04 0.04 -0.13 -0.04 0.89 0.79 1gq2G1 GLY 173 H -0.02 0.17 0.11 -0.55 8.43 8.15 1gq2G1 GLY 173 HA2 0.00 0.18 0.41 -0.51 4.01 4.08 1gq2G1 GLY 173 HA3 0.10 -0.04 0.37 -0.51 4.01 3.93 1gq2G1 CYS 174 H 0.15 0.08 0.18 -0.55 8.50 8.37 1gq2G1 CYS 174 HA -0.00 0.14 0.33 -0.75 4.58 4.29 1gq2G1 CYS 174 HB2 -0.15 -0.14 0.14 -0.04 2.97 2.78 1gq2G1 CYS 174 HB3 -0.38 -0.05 -0.04 -0.04 2.97 2.46 1gq2G1 TYR 175 H 0.15 0.26 -0.14 -0.55 8.29 8.01 1gq2G1 TYR 175 HA 0.02 0.06 0.41 -0.75 4.56 4.29 1gq2G1 TYR 175 HB2 0.07 0.23 0.14 -0.04 3.06 3.46 1gq2G1 TYR 175 HB3 0.02 0.22 0.14 -0.04 2.98 3.31 1gq2G1 TYR 175 HD2 0.09 0.06 0.00 -0.04 7.15 7.26 1gq2G1 TYR 175 HE2 0.06 0.14 -0.01 -0.04 6.85 6.99 1gq2G1 GLY 176 H -0.01 0.39 -0.81 -0.55 8.43 7.45 1gq2G1 GLY 176 HA2 -0.12 -0.02 0.17 -0.51 4.01 3.54 1gq2G1 GLY 176 HA3 -0.10 -0.07 0.13 -0.51 4.01 3.46 1gq2G1 GLY 178 HA2 0.08 0.03 0.27 -0.51 4.01 3.87 1gq2G1 GLY 178 HA3 -0.13 0.02 0.13 -0.51 4.01 3.52 1gq2G1 ILE 179 H -0.12 0.60 0.42 -0.55 8.25 8.60 1gq2G1 ILE 179 HA 0.01 0.00 0.47 -0.75 4.18 3.91 1gq2G1 ILE 179 HB -0.09 0.22 0.19 -0.04 1.89 2.17 1gq2G1 ILE 179 HG12 -0.09 0.17 -0.04 -0.04 1.49 1.49 1gq2G1 ILE 179 HG13 -0.07 -0.15 -0.00 -0.04 1.21 0.95 1gq2G1 ILE 179 HG23 -0.03 -0.06 -0.15 -0.04 0.93 0.65 1gq2G1 ILE 179 HD13 -0.06 -0.02 -0.15 -0.04 0.88 0.61 1gq2G1 PRO 180 HA -0.11 -0.04 0.37 -0.51 4.44 4.15 1gq2G1 PRO 180 HB2 -0.14 0.07 -0.05 -0.04 2.28 2.12 1gq2G1 PRO 180 HB3 -0.17 0.19 0.11 -0.04 2.02 2.11 1gq2G1 PRO 180 HG2 -0.18 0.19 -0.02 -0.04 2.03 1.98 1gq2G1 PRO 180 HG3 -0.14 -0.07 -0.13 -0.04 2.03 1.65 1gq2G1 PRO 180 HD2 -0.13 0.24 -0.11 -0.04 3.68 3.65 1gq2G1 PRO 180 HD3 -0.12 0.11 0.21 -0.04 3.65 3.82 1gq2G1 VAL 181 H -0.01 0.18 -0.59 -0.55 8.24 7.27 1gq2G1 VAL 181 HA 0.03 0.08 0.34 -0.75 4.13 3.82 1gq2G1 VAL 181 HB 0.12 0.15 -0.01 -0.04 2.12 2.33 1gq2G1 VAL 181 HG13 0.12 0.01 -0.19 -0.04 0.97 0.87 1gq2G1 VAL 181 HG23 0.08 0.01 -0.11 -0.04 0.95 0.89 1gq2G1 GLY 182 H 0.12 0.46 -0.07 -0.55 8.43 8.39 1gq2G1 GLY 182 HA2 0.24 0.11 0.45 -0.51 4.01 4.30 1gq2G1 GLY 182 HA3 0.27 0.04 0.38 -0.51 4.01 4.19 1gq2G1 LYS 183 H 0.11 0.76 -0.02 -0.55 8.42 8.71 1gq2G1 LYS 183 HA 0.21 -0.06 0.34 -0.75 4.32 4.05 1gq2G1 LYS 183 HB2 -0.12 0.14 0.09 -0.04 1.87 1.94 1gq2G1 LYS 183 HB3 -0.30 -0.04 -0.08 -0.04 1.79 1.32 1gq2G1 LYS 183 HG2 0.06 0.15 -0.01 -0.04 1.46 1.62 1gq2G1 LYS 183 HG3 -0.15 -0.06 -0.10 -0.04 1.46 1.12 1gq2G1 LYS 183 HD2 -0.82 -0.03 -0.06 -0.04 1.69 0.74 1gq2G1 LYS 183 HD3 0.25 0.01 -0.04 -0.04 1.68 1.86 1gq2G1 LYS 183 HE2 0.22 0.02 -0.05 -0.04 2.99 3.15 1gq2G1 LYS 183 HE3 -0.00 -0.04 -0.05 -0.04 2.99 2.85 1gq2G1 LEU 184 H -0.04 0.61 -0.23 -0.55 8.37 8.16 1gq2G1 LEU 184 HA -0.18 -0.04 0.33 -0.75 4.35 3.70 1gq2G1 LEU 184 HB2 -0.05 0.18 0.08 -0.04 1.64 1.81 1gq2G1 LEU 184 HB3 -0.07 0.02 -0.04 -0.04 1.64 1.51 1gq2G1 LEU 184 HG -0.36 -0.03 -0.00 -0.04 1.64 1.21 1gq2G1 LEU 184 HD13 -0.19 0.01 -0.27 -0.04 0.93 0.44 1gq2G1 LEU 184 HD23 -0.88 -0.02 -0.14 -0.04 0.89 -0.19 1gq2G1 ALA 185 H 0.16 0.39 -0.50 -0.55 8.40 7.91 1gq2G1 ALA 185 HA 0.41 0.06 0.42 -0.75 4.34 4.47 1gq2G1 ALA 185 HB3 0.26 0.07 0.10 -0.04 1.41 1.80 1gq2G1 LEU 186 H 0.17 0.48 -0.21 -0.55 8.37 8.27 1gq2G1 LEU 186 HA 0.03 0.00 0.49 -0.75 4.35 4.12 1gq2G1 LEU 186 HB2 0.18 0.15 0.08 -0.04 1.64 2.00 1gq2G1 LEU 186 HB3 -0.16 -0.04 0.02 -0.04 1.64 1.42 1gq2G1 LEU 186 HG -0.11 0.20 -0.02 -0.04 1.64 1.66 1gq2G1 LEU 186 HD13 -0.97 -0.04 -0.06 -0.04 0.93 -0.18 1gq2G1 LEU 186 HD23 -0.09 -0.00 -0.13 -0.04 0.89 0.62 1gq2G1 TYR 187 H 0.39 0.35 -0.28 -0.55 8.29 8.20 1gq2G1 TYR 187 HA 0.10 -0.03 0.36 -0.75 4.56 4.24 1gq2G1 TYR 187 HB2 0.06 0.19 0.16 -0.04 3.06 3.43 1gq2G1 TYR 187 HB3 0.01 0.06 -0.14 -0.04 2.98 2.86 1gq2G1 TYR 187 HD2 0.17 0.09 -0.19 -0.04 7.15 7.19 1gq2G1 TYR 187 HE2 -0.01 -0.04 -0.17 -0.04 6.85 6.59 1gq2G1 THR 188 H 0.07 0.41 -0.35 -0.55 8.28 7.86 1gq2G1 THR 188 HA -0.16 0.09 0.57 -0.75 4.39 4.14 1gq2G1 THR 188 HB -0.46 0.09 0.19 -0.04 4.32 4.10 1gq2G1 THR 188 HG23 -1.34 -0.01 -0.16 -0.04 1.22 -0.33 1gq2G1 ALA 189 H 0.03 0.70 0.19 -0.55 8.40 8.78 1gq2G1 ALA 189 HA 0.03 0.07 0.38 -0.75 4.34 4.07 1gq2G1 ALA 189 HB3 0.07 -0.03 0.04 -0.04 1.41 1.45 1gq2G1 CYS 190 H -0.04 0.49 -0.18 -0.55 8.50 8.21 1gq2G1 CYS 190 HA -0.09 0.15 0.86 -0.75 4.58 4.75 1gq2G1 CYS 190 HB2 -0.20 0.11 0.03 -0.04 2.97 2.88 1gq2G1 CYS 190 HB3 -0.21 -0.02 -0.03 -0.04 2.97 2.66 1gq2G1 GLY 191 H -0.07 0.23 -0.20 -0.55 8.43 7.84 1gq2G1 GLY 191 HA2 -0.10 0.03 0.57 -0.51 4.01 3.99 1gq2G1 GLY 191 HA3 -0.11 0.03 0.31 -0.51 4.01 3.72 1gq2G1 GLY 192 H -0.05 0.26 0.18 -0.55 8.43 8.27 1gq2G1 GLY 192 HA2 0.02 0.11 0.32 -0.51 4.01 3.94 1gq2G1 GLY 192 HA3 -0.01 0.13 0.75 -0.51 4.01 4.37 1gq2G1 VAL 193 H -0.03 0.33 0.04 -0.55 8.24 8.03 1gq2G1 VAL 193 HA 0.01 0.14 0.46 -0.75 4.13 3.99 1gq2G1 VAL 193 HB 0.11 -0.11 -0.28 -0.04 2.12 1.80 1gq2G1 VAL 193 HG13 0.12 0.04 -0.26 -0.04 0.97 0.83 1gq2G1 VAL 193 HG23 -0.02 0.01 -0.14 -0.04 0.95 0.75 1gq2G1 LYS 194 H 0.03 0.20 0.10 -0.55 8.42 8.20 1gq2G1 LYS 194 HA -0.06 0.10 0.42 -0.75 4.32 4.03 1gq2G1 LYS 194 HB2 0.08 -0.03 0.12 -0.04 1.87 1.99 1gq2G1 LYS 194 HB3 0.16 -0.06 0.03 -0.04 1.79 1.88 1gq2G1 LYS 194 HG2 0.22 -0.01 0.01 -0.04 1.46 1.64 1gq2G1 LYS 194 HG3 0.08 0.11 0.10 -0.04 1.46 1.70 1gq2G1 LYS 194 HD2 0.08 -0.02 0.01 -0.04 1.69 1.72 1gq2G1 LYS 194 HD3 0.14 -0.07 0.01 -0.04 1.68 1.72 1gq2G1 LYS 194 HE2 0.06 0.03 -0.11 -0.04 2.99 2.93 1gq2G1 LYS 194 HE3 0.03 0.21 0.02 -0.04 2.99 3.21 1gq2G1 PRO 195 HA -0.06 0.07 0.35 -0.51 4.44 4.29 1gq2G1 PRO 195 HB2 0.09 0.00 0.06 -0.04 2.28 2.40 1gq2G1 PRO 195 HB3 0.08 0.04 0.06 -0.04 2.02 2.16 1gq2G1 PRO 195 HG2 -0.65 0.03 0.05 -0.04 2.03 1.42 1gq2G1 PRO 195 HG3 -0.92 0.05 0.09 -0.04 2.03 1.21 1gq2G1 PRO 195 HD2 -0.33 0.06 0.18 -0.04 3.68 3.55 1gq2G1 PRO 195 HD3 -1.20 0.20 0.23 -0.04 3.65 2.84 1gq2G1 HIS 196 H 0.20 0.11 -0.16 -0.55 8.41 8.02 1gq2G1 HIS 196 HA 0.02 0.09 0.33 -0.75 4.63 4.31 1gq2G1 HIS 196 HB2 0.07 -0.04 0.10 -0.04 3.26 3.34 1gq2G1 HIS 196 HB3 -0.01 0.05 -0.06 -0.04 3.20 3.14 1gq2G1 HIS 196 HD2 -0.16 -0.00 0.03 -0.04 6.97 6.80 1gq2G1 HIS 196 HE1 -0.22 0.01 -0.02 -0.04 7.75 7.47 1gq2G1 GLN 197 H 0.06 0.31 -0.55 -0.55 8.47 7.75 1gq2G1 GLN 197 HA -0.06 0.35 0.88 -0.75 4.36 4.77 1gq2G1 GLN 197 HB2 0.02 0.04 0.03 -0.04 2.15 2.20 1gq2G1 GLN 197 HB3 -0.02 -0.09 0.15 -0.04 2.02 2.03 1gq2G1 GLN 197 HG2 0.03 0.10 -0.11 -0.04 2.40 2.39 1gq2G1 GLN 197 HG3 0.08 -0.12 -0.08 -0.04 2.39 2.23 1gq2G1 GLN 197 HE21 0.04 0.02 -0.04 -0.04 6.97 6.95 1gq2G1 GLN 197 HE22 0.05 0.01 -0.05 -0.04 7.69 7.66 1gq2G1 CYS 198 H 0.01 0.57 -0.17 -0.55 8.50 8.36 1gq2G1 CYS 198 HA -0.12 0.25 1.04 -0.75 4.58 5.00 1gq2G1 CYS 198 HB2 -0.04 0.12 0.07 -0.04 2.97 3.09 1gq2G1 CYS 198 HB3 -0.19 -0.12 -0.07 -0.04 2.97 2.55 1gq2G1 LEU 199 H -0.23 0.43 0.29 -0.55 8.37 8.31 1gq2G1 LEU 199 HA -0.28 0.23 0.94 -0.75 4.35 4.49 1gq2G1 LEU 199 HB2 -0.69 0.11 -0.14 -0.04 1.64 0.87 1gq2G1 LEU 199 HB3 -0.44 0.01 0.06 -0.04 1.64 1.24 1gq2G1 LEU 199 HG -0.48 -0.14 -0.43 -0.04 1.64 0.56 1gq2G1 LEU 199 HD13 -1.73 0.01 -0.02 -0.04 0.93 -0.86 1gq2G1 LEU 199 HD23 -0.54 0.01 -0.10 -0.04 0.89 0.22 1gq2G1 PRO 200 HA -0.22 0.12 0.77 -0.51 4.44 4.61 1gq2G1 PRO 200 HB2 -0.14 -0.02 -0.13 -0.04 2.28 1.95 1gq2G1 PRO 200 HB3 -0.12 0.06 -0.18 -0.04 2.02 1.74 1gq2G1 PRO 200 HG2 -0.08 -0.08 0.12 -0.04 2.03 1.94 1gq2G1 PRO 200 HG3 0.01 0.07 -0.06 -0.04 2.03 2.01 1gq2G1 PRO 200 HD2 -0.13 0.13 0.24 -0.04 3.68 3.87 1gq2G1 PRO 200 HD3 -0.05 0.19 -0.01 -0.04 3.65 3.74 1gq2G1 VAL 201 H -0.23 0.64 0.35 -0.55 8.24 8.46 1gq2G1 VAL 201 HA -0.31 0.36 1.02 -0.75 4.13 4.44 1gq2G1 VAL 201 HB -0.19 -0.09 0.03 -0.04 2.12 1.82 1gq2G1 VAL 201 HG13 -0.26 0.03 0.03 -0.04 0.97 0.72 1gq2G1 VAL 201 HG23 -0.16 0.03 -0.33 -0.04 0.95 0.45 1gq2G1 LEU 203 HA -0.18 0.15 0.38 -0.75 4.35 3.95 1gq2G1 LEU 203 HB2 -0.22 -0.11 0.14 -0.04 1.64 1.42 1gq2G1 LEU 203 HB3 -0.20 -0.07 -0.06 -0.04 1.64 1.26 1gq2G1 LEU 203 HG -0.52 0.02 -0.20 -0.04 1.64 0.90 1gq2G1 LEU 203 HD13 -0.42 -0.02 -0.12 -0.04 0.93 0.33 1gq2G1 LEU 203 HD23 -0.58 0.00 -0.06 -0.04 0.89 0.21 1gq2G1 ASP 204 H -0.04 0.48 0.26 -0.55 8.40 8.55 1gq2G1 ASP 204 HA -0.03 0.15 0.88 -0.75 4.63 4.87 1gq2G1 ASP 204 HB2 0.02 0.13 0.10 -0.04 2.71 2.92 1gq2G1 ASP 204 HB3 0.01 -0.01 0.21 -0.04 2.70 2.88 1gq2G1 VAL 205 H 0.01 0.35 0.28 -0.55 8.24 8.33 1gq2G1 VAL 205 HA 0.01 0.05 0.97 -0.75 4.13 4.40 1gq2G1 VAL 205 HB 0.14 -0.06 0.28 -0.04 2.12 2.44 1gq2G1 VAL 205 HG13 0.07 0.03 -0.10 -0.04 0.97 0.92 1gq2G1 VAL 205 HG23 0.18 0.01 0.01 -0.04 0.95 1.11 1gq2G1 GLY 206 H -0.03 0.03 0.02 -0.55 8.43 7.90 1gq2G1 GLY 206 HA2 -0.25 0.07 0.30 -0.51 4.01 3.63 1gq2G1 GLY 206 HA3 -0.02 0.38 0.71 -0.51 4.01 4.57 1gq2G1 THR 207 H -0.05 0.81 0.21 -0.55 8.28 8.70 1gq2G1 THR 207 HA -0.04 0.07 0.69 -0.75 4.39 4.35 1gq2G1 THR 207 HB -0.02 0.04 -0.13 -0.04 4.32 4.17 1gq2G1 THR 207 HG23 -0.37 0.06 -0.13 -0.04 1.22 0.74 1gq2G1 ASP 208 H -0.05 0.17 0.17 -0.55 8.40 8.14 1gq2G1 ASP 208 HA -0.04 0.24 0.90 -0.75 4.63 4.98 1gq2G1 ASP 208 HB2 -0.03 0.01 0.14 -0.04 2.71 2.78 1gq2G1 ASP 208 HB3 -0.03 0.05 0.23 -0.04 2.70 2.91 1gq2G1 ASN 209 H -0.11 0.05 -0.19 -0.55 8.53 7.73 1gq2G1 ASN 209 HA -0.07 0.11 0.63 -0.75 4.76 4.67 1gq2G1 ASN 209 HB2 -0.09 0.17 0.19 -0.04 2.88 3.11 1gq2G1 ASN 209 HB3 -0.18 -0.04 0.17 -0.04 2.79 2.70 1gq2G1 ASN 209 HD21 -0.04 0.01 0.08 -0.04 7.03 7.04 1gq2G1 ASN 209 HD22 -0.05 0.44 0.23 -0.04 7.74 8.32 1gq2G1 GLU 210 H -0.06 0.29 0.25 -0.55 8.60 8.53 1gq2G1 GLU 210 HA -0.08 0.09 0.27 -0.75 4.29 3.81 1gq2G1 GLU 210 HB2 -0.04 -0.02 0.10 -0.04 2.09 2.08 1gq2G1 GLU 210 HB3 -0.04 0.06 0.04 -0.04 1.99 2.00 1gq2G1 GLU 210 HG2 -0.04 0.08 0.17 -0.04 2.34 2.51 1gq2G1 GLU 210 HG3 -0.03 0.01 0.09 -0.04 2.34 2.37 1gq2G1 THR 211 H -0.07 0.04 -0.26 -0.55 8.28 7.44 1gq2G1 THR 211 HA -0.05 0.12 0.39 -0.75 4.39 4.10 1gq2G1 THR 211 HB -0.06 -0.02 0.05 -0.04 4.32 4.26 1gq2G1 THR 211 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.13 1gq2G1 LEU 212 H -0.17 0.08 -0.16 -0.55 8.37 7.58 1gq2G1 LEU 212 HA -0.21 0.08 0.48 -0.75 4.35 3.95 1gq2G1 LEU 212 HB2 -0.41 0.03 0.10 -0.04 1.64 1.32 1gq2G1 LEU 212 HB3 -1.03 0.01 -0.05 -0.04 1.64 0.52 1gq2G1 LEU 212 HG -0.15 -0.04 0.06 -0.04 1.64 1.47 1gq2G1 LEU 212 HD13 -0.13 -0.02 -0.06 -0.04 0.93 0.68 1gq2G1 LEU 212 HD23 -0.22 0.02 0.04 -0.04 0.89 0.68 1gq2G1 LEU 213 H -0.25 0.37 -0.24 -0.55 8.37 7.71 1gq2G1 LEU 213 HA -0.28 0.05 0.30 -0.75 4.35 3.67 1gq2G1 LEU 213 HB2 -0.11 0.08 -0.03 -0.04 1.64 1.54 1gq2G1 LEU 213 HB3 -0.09 0.01 -0.05 -0.04 1.64 1.47 1gq2G1 LEU 213 HG -0.23 0.07 -0.20 -0.04 1.64 1.24 1gq2G1 LEU 213 HD13 -0.07 0.00 -0.21 -0.04 0.93 0.61 1gq2G1 LEU 213 HD23 -0.20 0.02 -0.20 -0.04 0.89 0.47 1gq2G1 LYS 214 H -0.11 0.20 -0.61 -0.55 8.42 7.34 1gq2G1 LYS 214 HA -0.03 0.11 0.68 -0.75 4.32 4.32 1gq2G1 LYS 214 HB2 -0.04 0.10 0.13 -0.04 1.87 2.02 1gq2G1 LYS 214 HB3 -0.02 -0.06 0.02 -0.04 1.79 1.69 1gq2G1 LYS 214 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.39 1gq2G1 LYS 214 HG3 -0.04 -0.00 -0.07 -0.04 1.46 1.31 1gq2G1 LYS 214 HD2 -0.03 -0.01 -0.05 -0.04 1.69 1.56 1gq2G1 LYS 214 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.60 1gq2G1 LYS 214 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1gq2G1 LYS 214 HE3 -0.02 -0.05 -0.02 -0.04 2.99 2.86 1gq2G1 ASP 215 H -0.08 0.17 -0.12 -0.55 8.40 7.82 1gq2G1 ASP 215 HA 0.02 0.05 0.50 -0.75 4.63 4.45 1gq2G1 ASP 215 HB2 0.00 0.04 0.14 -0.04 2.71 2.85 1gq2G1 ASP 215 HB3 -0.01 0.08 0.28 -0.04 2.70 3.01 1gq2G1 PRO 216 HA 0.04 0.13 0.42 -0.51 4.44 4.51 1gq2G1 PRO 216 HB2 0.03 0.03 0.04 -0.04 2.28 2.34 1gq2G1 PRO 216 HB3 0.02 0.02 0.15 -0.04 2.02 2.18 1gq2G1 PRO 216 HG2 0.05 -0.01 0.06 -0.04 2.03 2.09 1gq2G1 PRO 216 HG3 0.03 0.01 0.09 -0.04 2.03 2.13 1gq2G1 PRO 216 HD2 0.05 -0.01 0.27 -0.04 3.68 3.95 1gq2G1 PRO 216 HD3 0.03 0.27 0.31 -0.04 3.65 4.21 1gq2G1 LEU 217 H 0.11 -0.03 -0.38 -0.55 8.37 7.53 1gq2G1 LEU 217 HA 0.07 0.27 0.72 -0.75 4.35 4.66 1gq2G1 LEU 217 HB2 0.21 -0.09 -0.07 -0.04 1.64 1.65 1gq2G1 LEU 217 HB3 0.15 0.01 -0.05 -0.04 1.64 1.70 1gq2G1 LEU 217 HG 0.09 -0.07 -0.07 -0.04 1.64 1.55 1gq2G1 LEU 217 HD13 0.08 0.02 -0.19 -0.04 0.93 0.80 1gq2G1 LEU 217 HD23 0.05 0.04 -0.15 -0.04 0.89 0.79 1gq2G1 TYR 218 H 0.17 0.37 -0.27 -0.55 8.29 8.01 1gq2G1 TYR 218 HA -0.20 -0.13 0.36 -0.75 4.56 3.85 1gq2G1 TYR 218 HB2 -0.20 0.04 0.17 -0.04 3.06 3.02 1gq2G1 TYR 218 HB3 -0.11 0.18 0.03 -0.04 2.98 3.03 1gq2G1 TYR 218 HD2 -0.58 0.14 -0.14 -0.04 7.15 6.53 1gq2G1 TYR 218 HE2 -0.24 0.11 -0.42 -0.04 6.85 6.26 1gq2G1 ILE 219 H -0.53 -0.04 0.14 -0.55 8.25 7.27 1gq2G1 ILE 219 HA -0.24 0.31 0.85 -0.75 4.18 4.35 1gq2G1 ILE 219 HB -0.35 0.01 0.07 -0.04 1.89 1.58 1gq2G1 ILE 219 HG12 0.08 -0.13 -0.04 -0.04 1.49 1.36 1gq2G1 ILE 219 HG13 -0.21 -0.09 -0.32 -0.04 1.21 0.56 1gq2G1 ILE 219 HG23 -0.23 0.05 -0.06 -0.04 0.93 0.65 1gq2G1 ILE 219 HD13 0.10 0.05 -0.15 -0.04 0.88 0.84 1gq2G1 GLY 220 H -2.11 -0.06 -0.09 -0.55 8.43 5.62 1gq2G1 GLY 220 HA2 -0.26 0.24 0.70 -0.51 4.01 4.18 1gq2G1 GLY 220 HA3 -0.49 -0.16 0.31 -0.51 4.01 3.15 1gq2G1 LEU 221 H -0.03 0.02 0.09 -0.55 8.37 7.91 1gq2G1 LEU 221 HA -0.01 0.13 0.41 -0.75 4.35 4.13 1gq2G1 LEU 221 HB2 -0.28 -0.14 0.07 -0.04 1.64 1.25 1gq2G1 LEU 221 HB3 -0.57 0.05 -0.07 -0.04 1.64 1.01 1gq2G1 LEU 221 HG 0.00 0.01 0.04 -0.04 1.64 1.65 1gq2G1 LEU 221 HD13 0.07 -0.02 -0.06 -0.04 0.93 0.88 1gq2G1 LEU 221 HD23 0.18 0.04 -0.03 -0.04 0.89 1.03 1gq2G1 ARG 222 H 0.03 0.19 0.09 -0.55 8.46 8.21 1gq2G1 ARG 222 HA -0.04 0.10 0.56 -0.75 4.34 4.22 1gq2G1 ARG 222 HB2 0.05 -0.04 0.19 -0.04 1.90 2.05 1gq2G1 ARG 222 HB3 0.01 0.00 0.22 -0.04 1.80 1.99 1gq2G1 ARG 222 HG2 0.16 0.05 -0.13 -0.04 1.67 1.71 1gq2G1 ARG 222 HG3 0.06 0.02 0.01 -0.04 1.67 1.72 1gq2G1 ARG 222 HD2 -0.01 -0.01 0.09 -0.04 3.22 3.25 1gq2G1 ARG 222 HD3 -0.08 -0.19 0.07 -0.04 3.22 2.98 1gq2G1 HIS 223 H -0.20 0.43 -0.21 -0.55 8.41 7.89 1gq2G1 HIS 223 HA -0.00 0.08 0.51 -0.75 4.63 4.47 1gq2G1 HIS 223 HB2 0.03 -0.03 0.08 -0.04 3.26 3.31 1gq2G1 HIS 223 HB3 0.04 0.12 -0.17 -0.04 3.20 3.14 1gq2G1 HIS 223 HD2 0.15 0.03 -0.18 -0.04 6.97 6.92 1gq2G1 HIS 223 HE1 -0.05 0.02 -0.21 -0.04 7.75 7.47 1gq2G1 LYS 224 H 0.11 0.09 0.12 -0.55 8.42 8.19 1gq2G1 LYS 224 HA 0.02 0.21 0.38 -0.75 4.32 4.18 1gq2G1 LYS 224 HB2 0.04 0.02 0.02 -0.04 1.87 1.91 1gq2G1 LYS 224 HB3 0.02 -0.03 0.07 -0.04 1.79 1.82 1gq2G1 LYS 224 HG2 0.03 -0.02 0.13 -0.04 1.46 1.55 1gq2G1 LYS 224 HG3 0.01 0.02 0.06 -0.04 1.46 1.51 1gq2G1 LYS 224 HD2 -0.01 -0.01 0.10 -0.04 1.69 1.72 1gq2G1 LYS 224 HD3 -0.01 0.02 0.03 -0.04 1.68 1.69 1gq2G1 LYS 224 HE2 -0.00 0.01 0.04 -0.04 2.99 3.00 1gq2G1 LYS 224 HE3 -0.00 -0.02 0.05 -0.04 2.99 2.98 1gq2G1 ARG 225 H 0.02 -0.03 -0.10 -0.55 8.46 7.80 1gq2G1 ARG 225 HA 0.09 0.24 0.27 -0.75 4.34 4.19 1gq2G1 ARG 225 HB2 -0.01 -0.07 -0.04 -0.04 1.90 1.74 1gq2G1 ARG 225 HB3 0.01 0.09 -0.12 -0.04 1.80 1.73 1gq2G1 ARG 225 HG2 0.00 0.25 -0.55 -0.04 1.67 1.33 1gq2G1 ARG 225 HG3 -0.01 -0.19 -0.21 -0.04 1.67 1.22 1gq2G1 ARG 225 HD2 -0.03 -0.16 0.07 -0.04 3.22 3.06 1gq2G1 ARG 225 HD3 -0.03 -0.01 -0.00 -0.04 3.22 3.13 1gq2G1 ILE 226 H 0.11 0.48 0.28 -0.55 8.25 8.57 1gq2G1 ILE 226 HA 0.03 0.07 0.64 -0.75 4.18 4.17 1gq2G1 ILE 226 HB 0.09 -0.06 0.19 -0.04 1.89 2.08 1gq2G1 ILE 226 HG12 0.11 0.26 0.15 -0.04 1.49 1.97 1gq2G1 ILE 226 HG13 -0.03 -0.06 0.05 -0.04 1.21 1.12 1gq2G1 ILE 226 HG23 0.04 -0.01 -0.04 -0.04 0.93 0.88 1gq2G1 ILE 226 HD13 -0.10 -0.00 -0.03 -0.04 0.88 0.71 1gq2G1 ARG 227 H 0.02 0.16 0.16 -0.55 8.46 8.24 1gq2G1 ARG 227 HA -0.04 0.21 0.88 -0.75 4.34 4.63 1gq2G1 ARG 227 HB2 -0.02 0.04 0.04 -0.04 1.90 1.92 1gq2G1 ARG 227 HB3 -0.06 -0.15 0.17 -0.04 1.80 1.73 1gq2G1 ARG 227 HG2 -0.05 0.05 -0.55 -0.04 1.67 1.08 1gq2G1 ARG 227 HG3 -0.03 0.05 -0.07 -0.04 1.67 1.58 1gq2G1 ARG 227 HD2 -0.08 -0.01 -0.00 -0.04 3.22 3.08 1gq2G1 ARG 227 HD3 -0.19 -0.01 -0.00 -0.04 3.22 2.97 1gq2G1 GLY 228 H -0.01 0.13 0.14 -0.55 8.43 8.15 1gq2G1 GLY 228 HA2 0.03 0.10 0.34 -0.51 4.01 3.97 1gq2G1 GLY 228 HA3 0.04 0.11 0.54 -0.51 4.01 4.19 1gq2G1 GLN 229 H 0.04 0.20 0.19 -0.55 8.47 8.36 1gq2G1 GLN 229 HA 0.07 0.08 0.41 -0.75 4.36 4.17 1gq2G1 GLN 229 HB2 0.04 0.02 0.14 -0.04 2.15 2.31 1gq2G1 GLN 229 HB3 0.04 0.03 0.10 -0.04 2.02 2.14 1gq2G1 GLN 229 HG2 0.03 0.06 0.00 -0.04 2.40 2.45 1gq2G1 GLN 229 HG3 0.04 0.01 -0.09 -0.04 2.39 2.31 1gq2G1 GLN 229 HE21 0.04 0.05 -0.02 -0.04 6.97 7.00 1gq2G1 GLN 229 HE22 0.04 0.04 -0.02 -0.04 7.69 7.71 1gq2G1 ALA 230 H 0.06 0.16 -0.15 -0.55 8.40 7.92 1gq2G1 ALA 230 HA 0.05 0.10 0.36 -0.75 4.34 4.09 1gq2G1 ALA 230 HB3 0.05 0.04 0.02 -0.04 1.41 1.48 1gq2G1 TYR 231 H 0.19 0.16 -0.48 -0.55 8.29 7.62 1gq2G1 TYR 231 HA 0.04 0.07 0.33 -0.75 4.56 4.24 1gq2G1 TYR 231 HB2 0.03 0.12 -0.05 -0.04 3.06 3.12 1gq2G1 TYR 231 HB3 0.04 0.06 -0.01 -0.04 2.98 3.04 1gq2G1 TYR 231 HD2 0.05 0.07 -0.10 -0.04 7.15 7.14 1gq2G1 TYR 231 HE2 0.09 0.00 -0.03 -0.04 6.85 6.88 1gq2G1 ASP 232 H 0.22 0.38 -0.19 -0.55 8.40 8.26 1gq2G1 ASP 232 HA 0.16 -0.00 0.31 -0.75 4.63 4.34 1gq2G1 ASP 232 HB2 0.10 0.06 0.15 -0.04 2.71 2.97 1gq2G1 ASP 232 HB3 0.09 0.03 -0.02 -0.04 2.70 2.76 1gq2G1 ASP 233 H 0.07 0.65 -0.16 -0.55 8.40 8.41 1gq2G1 ASP 233 HA 0.06 0.03 0.43 -0.75 4.63 4.40 1gq2G1 ASP 233 HB2 0.04 0.09 0.12 -0.04 2.71 2.92 1gq2G1 ASP 233 HB3 0.03 -0.03 0.01 -0.04 2.70 2.67 1gq2G1 LEU 234 H -0.01 0.51 -0.12 -0.55 8.37 8.20 1gq2G1 LEU 234 HA 0.00 -0.03 0.43 -0.75 4.35 4.00 1gq2G1 LEU 234 HB2 -0.04 0.03 0.13 -0.04 1.64 1.72 1gq2G1 LEU 234 HB3 -0.16 0.10 0.14 -0.04 1.64 1.68 1gq2G1 LEU 234 HG -0.11 0.02 -0.25 -0.04 1.64 1.26 1gq2G1 LEU 234 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.82 1gq2G1 LEU 234 HD23 -0.10 -0.03 -0.21 -0.04 0.89 0.52 1gq2G1 LEU 235 H -0.08 0.48 -0.16 -0.55 8.37 8.06 1gq2G1 LEU 235 HA 0.05 0.01 0.33 -0.75 4.35 3.98 1gq2G1 LEU 235 HB2 0.07 0.12 0.12 -0.04 1.64 1.92 1gq2G1 LEU 235 HB3 0.32 0.03 -0.09 -0.04 1.64 1.85 1gq2G1 LEU 235 HG 0.09 -0.10 -0.06 -0.04 1.64 1.53 1gq2G1 LEU 235 HD13 0.21 -0.00 -0.06 -0.04 0.93 1.03 1gq2G1 LEU 235 HD23 -0.63 0.02 -0.08 -0.04 0.89 0.16 1gq2G1 ASP 236 H 0.13 0.42 -0.13 -0.55 8.40 8.28 1gq2G1 ASP 236 HA 0.18 0.04 0.35 -0.75 4.63 4.44 1gq2G1 ASP 236 HB2 0.10 0.02 0.19 -0.04 2.71 2.98 1gq2G1 ASP 236 HB3 0.11 0.00 -0.02 -0.04 2.70 2.74 1gq2G1 GLU 237 H 0.05 0.60 -0.12 -0.55 8.60 8.58 1gq2G1 GLU 237 HA -0.00 -0.01 0.34 -0.75 4.29 3.86 1gq2G1 GLU 237 HB2 0.02 0.07 0.15 -0.04 2.09 2.29 1gq2G1 GLU 237 HB3 0.03 0.06 0.12 -0.04 1.99 2.16 1gq2G1 GLU 237 HG2 -0.01 0.03 -0.03 -0.04 2.34 2.28 1gq2G1 GLU 237 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 1gq2G1 PHE 238 H 0.12 0.61 -0.22 -0.55 8.34 8.30 1gq2G1 PHE 238 HA -0.11 -0.07 0.22 -0.75 4.62 3.91 1gq2G1 PHE 238 HB2 -0.10 -0.07 0.04 -0.04 3.15 2.98 1gq2G1 PHE 238 HB3 -0.12 0.22 0.14 -0.04 3.06 3.26 1gq2G1 PHE 238 HD2 -0.16 0.01 -0.02 -0.04 7.28 7.07 1gq2G1 PHE 238 HE2 -0.24 -0.01 -0.09 -0.04 7.38 7.01 1gq2G1 PHE 238 HZ -0.22 0.01 -0.11 -0.04 7.32 6.96 1gq2G1 GLU 240 HA -0.08 -0.06 0.32 -0.75 4.29 3.71 1gq2G1 GLU 240 HB2 0.02 0.03 0.09 -0.04 2.09 2.18 1gq2G1 GLU 240 HB3 -0.05 0.00 0.05 -0.04 1.99 1.96 1gq2G1 GLU 240 HG2 0.03 0.00 0.03 -0.04 2.34 2.36 1gq2G1 GLU 240 HG3 0.02 -0.06 -0.02 -0.04 2.34 2.24 1gq2G1 ALA 241 H -0.18 0.81 -0.70 -0.55 8.40 7.78 1gq2G1 ALA 241 HA -0.15 -0.05 0.41 -0.75 4.34 3.80 1gq2G1 ALA 241 HB3 -0.15 -0.01 0.01 -0.04 1.41 1.22 1gq2G1 VAL 242 H -0.47 0.70 0.24 -0.55 8.24 8.16 1gq2G1 VAL 242 HA -0.47 0.06 0.42 -0.75 4.13 3.40 1gq2G1 VAL 242 HB -0.64 0.05 0.02 -0.04 2.12 1.51 1gq2G1 VAL 242 HG13 -0.06 0.01 -0.26 -0.04 0.97 0.63 1gq2G1 VAL 242 HG23 -0.65 -0.01 -0.00 -0.04 0.95 0.25 1gq2G1 THR 243 H -0.30 0.15 -0.26 -0.55 8.28 7.33 1gq2G1 THR 243 HA -0.07 0.30 0.46 -0.75 4.39 4.32 1gq2G1 THR 243 HB 0.03 -0.03 -0.13 -0.04 4.32 4.15 1gq2G1 THR 243 HG23 0.03 0.07 -0.06 -0.04 1.22 1.22 1gq2G1 SER 244 H -0.15 0.45 -0.23 -0.55 8.46 7.98 1gq2G1 SER 244 HA -0.04 0.00 0.49 -0.75 4.49 4.18 1gq2G1 SER 244 HB2 -0.12 0.11 0.22 -0.04 3.95 4.12 1gq2G1 SER 244 HB3 -0.07 -0.09 0.01 -0.04 3.93 3.74 1gq2G1 ARG 245 H -0.27 0.44 -0.07 -0.55 8.46 8.01 1gq2G1 ARG 245 HA -0.15 0.02 0.50 -0.75 4.34 3.95 1gq2G1 ARG 245 HB2 -0.32 -0.07 0.10 -0.04 1.90 1.57 1gq2G1 ARG 245 HB3 -0.88 0.03 0.15 -0.04 1.80 1.06 1gq2G1 ARG 245 HG2 -0.63 0.06 -0.11 -0.04 1.67 0.95 1gq2G1 ARG 245 HG3 -0.16 -0.02 0.02 -0.04 1.67 1.48 1gq2G1 ARG 245 HD2 -0.13 -0.10 -0.03 -0.04 3.22 2.92 1gq2G1 ARG 245 HD3 -0.21 0.02 -0.11 -0.04 3.22 2.87 1gq2G1 TYR 246 H -0.33 0.57 0.05 -0.55 8.29 8.03 1gq2G1 TYR 246 HA -0.03 0.13 0.69 -0.75 4.56 4.60 1gq2G1 TYR 246 HB2 -0.10 0.08 0.03 -0.04 3.06 3.04 1gq2G1 TYR 246 HB3 -0.06 0.16 0.15 -0.04 2.98 3.19 1gq2G1 TYR 246 HD2 -0.11 0.09 -0.10 -0.04 7.15 6.99 1gq2G1 TYR 246 HE2 -0.10 0.00 -0.12 -0.04 6.85 6.59 1gq2G1 GLY 247 H -0.00 0.29 -0.33 -0.55 8.43 7.83 1gq2G1 GLY 247 HA2 0.02 0.03 0.25 -0.51 4.01 3.80 1gq2G1 GLY 247 HA3 0.04 0.18 0.70 -0.51 4.01 4.42 1gq2G1 ASN 249 HA -0.01 -0.01 0.21 -0.75 4.76 4.20 1gq2G1 ASN 249 HB2 0.02 -0.00 -0.06 -0.04 2.88 2.80 1gq2G1 ASN 249 HB3 0.01 -0.02 -0.03 -0.04 2.79 2.72 1gq2G1 ASN 249 HD21 0.02 -0.02 0.02 -0.04 7.03 7.02 1gq2G1 ASN 249 HD22 0.03 -0.01 0.03 -0.04 7.74 7.74 1gq2G1 CYS 250 H 0.02 0.49 -0.12 -0.55 8.50 8.35 1gq2G1 CYS 250 HA 0.01 0.06 0.34 -0.75 4.58 4.23 1gq2G1 CYS 250 HB2 0.05 0.16 -0.13 -0.04 2.97 3.01 1gq2G1 CYS 250 HB3 -0.02 -0.14 -0.06 -0.04 2.97 2.71 1gq2G1 LEU 251 H 0.02 0.55 0.31 -0.55 8.37 8.70 1gq2G1 LEU 251 HA 0.08 0.32 0.70 -0.75 4.35 4.69 1gq2G1 LEU 251 HB2 0.09 0.13 0.13 -0.04 1.64 1.95 1gq2G1 LEU 251 HB3 0.11 -0.09 0.29 -0.04 1.64 1.90 1gq2G1 LEU 251 HG 0.21 -0.06 -0.07 -0.04 1.64 1.68 1gq2G1 LEU 251 HD13 0.29 -0.06 -0.28 -0.04 0.93 0.83 1gq2G1 LEU 251 HD23 0.28 -0.00 -0.15 -0.04 0.89 0.98 1gq2G1 ILE 252 H 0.08 0.65 0.39 -0.55 8.25 8.82 1gq2G1 ILE 252 HA -0.09 0.21 1.10 -0.75 4.18 4.65 1gq2G1 ILE 252 HB 0.01 -0.03 0.10 -0.04 1.89 1.93 1gq2G1 ILE 252 HG12 -0.25 -0.07 -0.17 -0.04 1.49 0.96 1gq2G1 ILE 252 HG13 -0.15 0.06 -0.28 -0.04 1.21 0.80 1gq2G1 ILE 252 HG23 -0.31 -0.06 -0.27 -0.04 0.93 0.26 1gq2G1 ILE 252 HD13 -0.10 0.03 -0.25 -0.04 0.88 0.52 1gq2G1 GLN 253 H -0.15 0.97 0.35 -0.55 8.47 9.10 1gq2G1 GLN 253 HA -0.49 0.20 1.01 -0.75 4.36 4.32 1gq2G1 GLN 253 HB2 -0.18 0.05 -0.00 -0.04 2.15 1.97 1gq2G1 GLN 253 HB3 -0.16 0.06 0.25 -0.04 2.02 2.14 1gq2G1 GLN 253 HG2 -0.30 -0.03 -0.32 -0.04 2.40 1.71 1gq2G1 GLN 253 HG3 -0.96 -0.07 -0.03 -0.04 2.39 1.29 1gq2G1 GLN 253 HE21 -0.57 -0.00 -0.10 -0.04 6.97 6.26 1gq2G1 GLN 253 HE22 -0.23 -0.07 -0.12 -0.04 7.69 7.23 1gq2G1 PHE 254 H 0.08 0.52 0.40 -0.55 8.34 8.78 1gq2G1 PHE 254 HA -0.01 0.18 0.64 -0.75 4.62 4.68 1gq2G1 PHE 254 HB2 -0.21 -0.10 0.18 -0.04 3.15 2.98 1gq2G1 PHE 254 HB3 -0.36 -0.11 -0.01 -0.04 3.06 2.54 1gq2G1 PHE 254 HD2 -0.81 0.01 -0.06 -0.04 7.28 6.37 1gq2G1 PHE 254 HE2 -0.08 0.05 -0.13 -0.04 7.38 7.18 1gq2G1 PHE 254 HZ 0.11 0.10 -0.14 -0.04 7.32 7.34 1gq2G1 GLU 255 H 0.35 0.75 0.44 -0.55 8.60 9.58 1gq2G1 GLU 255 HA 0.08 -0.11 0.98 -0.75 4.29 4.49 1gq2G1 GLU 255 HB2 -0.07 0.09 -0.17 -0.04 2.09 1.90 1gq2G1 GLU 255 HB3 -0.03 0.14 -0.00 -0.04 1.99 2.06 1gq2G1 GLU 255 HG2 -0.05 0.06 -0.11 -0.04 2.34 2.20 1gq2G1 GLU 255 HG3 -0.01 -0.08 -0.02 -0.04 2.34 2.20 1gq2G1 ASP 256 H 0.07 0.06 0.19 -0.55 8.40 8.18 1gq2G1 ASP 256 HA 0.06 0.08 0.45 -0.75 4.63 4.46 1gq2G1 ASP 256 HB2 -0.06 0.09 -0.14 -0.04 2.71 2.57 1gq2G1 ASP 256 HB3 -0.04 -0.01 -0.09 -0.04 2.70 2.52 1gq2G1 PHE 257 H 0.34 0.05 -0.13 -0.55 8.34 8.05 1gq2G1 PHE 257 HA 0.03 0.02 0.79 -0.75 4.62 4.71 1gq2G1 PHE 257 HB2 0.05 -0.03 -0.03 -0.04 3.15 3.10 1gq2G1 PHE 257 HB3 0.07 -0.01 -0.03 -0.04 3.06 3.06 1gq2G1 PHE 257 HD2 0.15 -0.09 -0.16 -0.04 7.28 7.14 1gq2G1 PHE 257 HE2 0.07 0.14 -0.12 -0.04 7.38 7.43 1gq2G1 PHE 257 HZ -0.10 0.14 -0.21 -0.04 7.32 7.11 1gq2G1 ALA 258 H 0.13 0.11 0.10 -0.55 8.40 8.20 1gq2G1 ALA 258 HA 0.06 0.15 0.36 -0.75 4.34 4.16 1gq2G1 ALA 258 HB3 0.03 0.02 0.06 -0.04 1.41 1.47 1gq2G1 ASN 259 H 0.06 0.19 0.14 -0.55 8.53 8.38 1gq2G1 ASN 259 HA 0.12 0.05 0.35 -0.75 4.76 4.52 1gq2G1 ASN 259 HB2 0.08 0.04 0.19 -0.04 2.88 3.14 1gq2G1 ASN 259 HB3 0.07 -0.06 0.17 -0.04 2.79 2.93 1gq2G1 ASN 259 HD21 0.02 0.07 -0.10 -0.04 7.03 6.98 1gq2G1 ASN 259 HD22 0.06 -0.05 -0.13 -0.04 7.74 7.58 1gq2G1 ALA 260 H 0.06 0.11 -0.04 -0.55 8.40 7.98 1gq2G1 ALA 260 HA 0.09 0.10 0.39 -0.75 4.34 4.16 1gq2G1 ALA 260 HB3 0.02 0.02 0.07 -0.04 1.41 1.47 1gq2G1 ASN 261 H 0.05 0.04 -0.17 -0.55 8.53 7.91 1gq2G1 ASN 261 HA 0.06 0.07 0.32 -0.75 4.76 4.45 1gq2G1 ASN 261 HB2 0.16 -0.05 0.05 -0.04 2.88 3.00 1gq2G1 ASN 261 HB3 0.27 0.07 -0.08 -0.04 2.79 3.01 1gq2G1 ASN 261 HD21 -0.42 0.05 0.01 -0.04 7.03 6.64 1gq2G1 ASN 261 HD22 -0.05 -0.11 0.03 -0.04 7.74 7.58 1gq2G1 ALA 262 H 0.08 0.62 -0.31 -0.55 8.40 8.25 1gq2G1 ALA 262 HA -0.20 -0.02 0.27 -0.75 4.34 3.64 1gq2G1 ALA 262 HB3 -0.09 0.02 -0.05 -0.04 1.41 1.25 1gq2G1 PHE 263 H 0.16 0.45 -0.04 -0.55 8.34 8.35 1gq2G1 PHE 263 HA -0.07 0.03 0.43 -0.75 4.62 4.24 1gq2G1 PHE 263 HB2 -0.04 0.06 0.15 -0.04 3.15 3.28 1gq2G1 PHE 263 HB3 -0.05 0.02 -0.03 -0.04 3.06 2.96 1gq2G1 PHE 263 HD2 -0.04 0.11 0.00 -0.04 7.28 7.31 1gq2G1 PHE 263 HE2 -0.04 -0.03 -0.12 -0.04 7.38 7.15 1gq2G1 PHE 263 HZ -0.05 0.06 -0.15 -0.04 7.32 7.14 1gq2G1 ARG 264 H 0.09 0.52 -0.03 -0.55 8.46 8.49 1gq2G1 ARG 264 HA 0.04 0.03 0.36 -0.75 4.34 4.02 1gq2G1 ARG 264 HB2 0.03 -0.02 0.07 -0.04 1.90 1.94 1gq2G1 ARG 264 HB3 0.01 0.00 0.07 -0.04 1.80 1.85 1gq2G1 ARG 264 HG2 -0.03 0.05 -0.18 -0.04 1.67 1.46 1gq2G1 ARG 264 HG3 0.01 0.01 0.01 -0.04 1.67 1.66 1gq2G1 ARG 264 HD2 0.01 0.02 -0.04 -0.04 3.22 3.17 1gq2G1 ARG 264 HD3 0.02 -0.06 -0.06 -0.04 3.22 3.09 1gq2G1 LEU 265 H -0.13 0.71 -0.10 -0.55 8.37 8.31 1gq2G1 LEU 265 HA -0.37 0.05 0.41 -0.75 4.35 3.69 1gq2G1 LEU 265 HB2 -0.52 0.06 0.07 -0.04 1.64 1.21 1gq2G1 LEU 265 HB3 -0.58 0.02 -0.07 -0.04 1.64 0.97 1gq2G1 LEU 265 HG -0.01 0.02 0.03 -0.04 1.64 1.64 1gq2G1 LEU 265 HD13 -0.04 -0.03 -0.12 -0.04 0.93 0.70 1gq2G1 LEU 265 HD23 0.16 0.01 -0.06 -0.04 0.89 0.95 1gq2G1 LEU 266 H -0.28 0.46 -0.16 -0.55 8.37 7.86 1gq2G1 LEU 266 HA -0.25 0.03 0.33 -0.75 4.35 3.70 1gq2G1 LEU 266 HB2 -0.25 -0.05 0.13 -0.04 1.64 1.43 1gq2G1 LEU 266 HB3 -0.10 0.09 0.20 -0.04 1.64 1.79 1gq2G1 LEU 266 HG 0.01 0.07 -0.21 -0.04 1.64 1.47 1gq2G1 LEU 266 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 1gq2G1 LEU 266 HD23 -0.09 -0.03 0.01 -0.04 0.89 0.74 1gq2G1 HIS 267 H 0.04 0.61 -0.03 -0.55 8.41 8.49 1gq2G1 HIS 267 HA -0.02 0.03 0.43 -0.75 4.63 4.31 1gq2G1 HIS 267 HB2 0.01 -0.05 0.09 -0.04 3.26 3.27 1gq2G1 HIS 267 HB3 -0.05 0.05 0.08 -0.04 3.20 3.25 1gq2G1 HIS 267 HD2 -0.01 -0.01 0.05 -0.04 6.97 6.96 1gq2G1 HIS 267 HE1 -0.03 -0.02 -0.04 -0.04 7.75 7.62 1gq2G1 LYS 268 H -0.20 0.38 -0.34 -0.55 8.42 7.70 1gq2G1 LYS 268 HA -0.31 0.04 0.47 -0.75 4.32 3.76 1gq2G1 LYS 268 HB2 -0.27 -0.00 0.11 -0.04 1.87 1.66 1gq2G1 LYS 268 HB3 -0.73 0.07 0.13 -0.04 1.79 1.21 1gq2G1 LYS 268 HG2 -0.50 0.06 -0.16 -0.04 1.46 0.82 1gq2G1 LYS 268 HG3 -0.20 -0.04 0.05 -0.04 1.46 1.23 1gq2G1 LYS 268 HD2 -0.18 -0.07 -0.04 -0.04 1.69 1.36 1gq2G1 LYS 268 HD3 -0.49 -0.01 -0.07 -0.04 1.68 1.08 1gq2G1 LYS 268 HE2 0.07 0.06 -0.05 -0.04 2.99 3.03 1gq2G1 LYS 268 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.88 1gq2G1 TYR 269 H -0.14 0.36 -0.13 -0.55 8.29 7.83 1gq2G1 TYR 269 HA 0.08 0.19 0.89 -0.75 4.56 4.96 1gq2G1 TYR 269 HB2 0.09 0.02 -0.04 -0.04 3.06 3.09 1gq2G1 TYR 269 HB3 0.40 0.01 -0.01 -0.04 2.98 3.33 1gq2G1 TYR 269 HD2 0.13 0.02 -0.14 -0.04 7.15 7.12 1gq2G1 TYR 269 HE2 0.16 -0.06 -0.11 -0.04 6.85 6.80 1gq2G1 ARG 270 H 0.04 0.40 -0.03 -0.55 8.46 8.32 1gq2G1 ARG 270 HA 0.16 0.03 0.40 -0.75 4.34 4.18 1gq2G1 ARG 270 HB2 0.04 0.41 0.27 -0.04 1.90 2.58 1gq2G1 ARG 270 HB3 0.03 -0.06 0.09 -0.04 1.80 1.81 1gq2G1 ARG 270 HG2 0.11 0.04 -0.03 -0.04 1.67 1.75 1gq2G1 ARG 270 HG3 0.12 -0.05 0.08 -0.04 1.67 1.79 1gq2G1 ARG 270 HD2 0.10 -0.04 -0.07 -0.04 3.22 3.17 1gq2G1 ARG 270 HD3 0.09 -0.01 -0.02 -0.04 3.22 3.25 1gq2G1 ASN 271 H -0.04 0.09 -0.25 -0.55 8.53 7.78 1gq2G1 ASN 271 HA -0.25 0.23 0.82 -0.75 4.76 4.81 1gq2G1 ASN 271 HB2 -0.13 -0.01 0.00 -0.04 2.88 2.69 1gq2G1 ASN 271 HB3 -0.24 0.02 0.10 -0.04 2.79 2.62 1gq2G1 ASN 271 HD21 0.00 -0.06 -0.04 -0.04 7.03 6.89 1gq2G1 ASN 271 HD22 -0.06 0.04 -0.02 -0.04 7.74 7.67 1gq2G1 LYS 272 H 0.01 0.25 -0.27 -0.55 8.42 7.85 1gq2G1 LYS 272 HA -0.15 0.12 0.81 -0.75 4.32 4.35 1gq2G1 LYS 272 HB2 -0.14 -0.07 0.04 -0.04 1.87 1.66 1gq2G1 LYS 272 HB3 -0.17 0.01 0.13 -0.04 1.79 1.72 1gq2G1 LYS 272 HG2 -1.32 0.05 -0.16 -0.04 1.46 -0.01 1gq2G1 LYS 272 HG3 -0.34 -0.03 0.07 -0.04 1.46 1.11 1gq2G1 LYS 272 HD2 -0.11 -0.05 0.02 -0.04 1.69 1.51 1gq2G1 LYS 272 HD3 -0.12 0.01 -0.00 -0.04 1.68 1.53 1gq2G1 LYS 272 HE2 -0.26 0.05 -0.02 -0.04 2.99 2.71 1gq2G1 LYS 272 HE3 -0.14 -0.03 -0.00 -0.04 2.99 2.78 1gq2G1 TYR 273 H 0.26 0.49 0.11 -0.55 8.29 8.60 1gq2G1 TYR 273 HA 0.11 0.23 0.79 -0.75 4.56 4.94 1gq2G1 TYR 273 HB2 0.10 -0.08 -0.11 -0.04 3.06 2.93 1gq2G1 TYR 273 HB3 0.03 0.05 0.01 -0.04 2.98 3.02 1gq2G1 TYR 273 HD2 -0.00 0.01 -0.05 -0.04 7.15 7.06 1gq2G1 TYR 273 HE2 -0.08 -0.04 -0.05 -0.04 6.85 6.64 1gq2G1 CYS 274 H 0.16 0.25 0.06 -0.55 8.50 8.41 1gq2G1 CYS 274 HA 0.08 0.12 0.78 -0.75 4.58 4.80 1gq2G1 CYS 274 HB2 -0.04 0.16 0.04 -0.04 2.97 3.10 1gq2G1 CYS 274 HB3 0.05 0.20 -0.01 -0.04 2.97 3.17 1gq2G1 THR 275 H 0.25 0.37 0.19 -0.55 8.28 8.55 1gq2G1 THR 275 HA 0.24 0.15 0.87 -0.75 4.39 4.89 1gq2G1 THR 275 HB 0.24 0.06 -0.31 -0.04 4.32 4.27 1gq2G1 THR 275 HG23 0.31 0.01 -0.33 -0.04 1.22 1.17 1gq2G1 PHE 276 H 0.15 0.55 0.40 -0.55 8.34 8.88 1gq2G1 PHE 276 HA 0.14 0.11 0.55 -0.75 4.62 4.67 1gq2G1 PHE 276 HB2 0.32 -0.08 0.07 -0.04 3.15 3.42 1gq2G1 PHE 276 HB3 0.29 0.20 -0.25 -0.04 3.06 3.26 1gq2G1 PHE 276 HD2 0.16 0.02 -0.39 -0.04 7.28 7.04 1gq2G1 PHE 276 HE2 0.20 -0.02 -0.16 -0.04 7.38 7.36 1gq2G1 PHE 276 HZ 0.26 -0.01 -0.09 -0.04 7.32 7.43 1gq2G1 ASN 277 H 0.17 0.20 0.16 -0.55 8.53 8.52 1gq2G1 ASN 277 HA -0.05 0.26 1.12 -0.75 4.76 5.34 1gq2G1 ASN 277 HB2 -0.17 0.16 0.05 -0.04 2.88 2.88 1gq2G1 ASN 277 HB3 -0.11 -0.05 0.20 -0.04 2.79 2.79 1gq2G1 ASN 277 HD21 -0.07 -0.11 -0.08 -0.04 7.03 6.73 1gq2G1 ASN 277 HD22 -0.25 0.17 -0.01 -0.04 7.74 7.61 1gq2G1 ASP 278 H -0.10 0.66 0.25 -0.55 8.40 8.66 1gq2G1 ASP 278 HA 0.42 0.02 0.41 -0.75 4.63 4.74 1gq2G1 ASP 278 HB2 -0.07 0.19 0.12 -0.04 2.71 2.91 1gq2G1 ASP 278 HB3 0.02 -0.07 0.19 -0.04 2.70 2.80 1gq2G1 ASP 279 H 0.03 0.16 -0.01 -0.55 8.40 8.04 1gq2G1 ASP 279 HA 0.05 0.10 0.41 -0.75 4.63 4.43 1gq2G1 ASP 279 HB2 -0.01 0.00 -0.00 -0.04 2.71 2.65 1gq2G1 ASP 279 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 1gq2G1 ILE 280 H -0.06 0.09 -0.39 -0.55 8.25 7.34 1gq2G1 ILE 280 HA -0.10 0.27 0.60 -0.75 4.18 4.19 1gq2G1 ILE 280 HB -0.20 -0.03 0.13 -0.04 1.89 1.75 1gq2G1 ILE 280 HG12 -0.53 0.06 -0.02 -0.04 1.49 0.96 1gq2G1 ILE 280 HG13 -0.29 -0.19 -0.13 -0.04 1.21 0.57 1gq2G1 ILE 280 HG23 -0.20 0.05 -0.16 -0.04 0.93 0.58 1gq2G1 ILE 280 HD13 -0.79 0.01 -0.12 -0.04 0.88 -0.07 1gq2G1 GLN 281 H -0.12 0.47 0.17 -0.55 8.47 8.45 1gq2G1 GLN 281 HA -0.35 0.19 0.64 -0.75 4.36 4.08 1gq2G1 GLN 281 HB2 -0.49 0.01 0.05 -0.04 2.15 1.68 1gq2G1 GLN 281 HB3 -2.03 0.06 -0.01 -0.04 2.02 -0.00 1gq2G1 GLN 281 HG2 -0.27 0.08 -0.02 -0.04 2.40 2.15 1gq2G1 GLN 281 HG3 -0.18 -0.14 0.07 -0.04 2.39 2.10 1gq2G1 GLN 281 HE21 0.24 0.23 0.04 -0.04 6.97 7.44 1gq2G1 GLN 281 HE22 0.06 -0.02 -0.04 -0.04 7.69 7.64 1gq2G1 GLY 282 H 0.05 0.20 0.10 -0.55 8.43 8.24 1gq2G1 GLY 282 HA2 0.21 0.09 0.38 -0.51 4.01 4.18 1gq2G1 GLY 282 HA3 0.27 0.01 0.38 -0.51 4.01 4.16 1gq2G1 THR 283 H 0.07 0.34 -0.21 -0.55 8.28 7.93 1gq2G1 THR 283 HA 0.10 -0.02 0.25 -0.75 4.39 3.97 1gq2G1 THR 283 HB 0.05 0.13 -0.07 -0.04 4.32 4.39 1gq2G1 THR 283 HG23 0.08 -0.02 -0.07 -0.04 1.22 1.17 1gq2G1 ALA 284 H 0.00 0.23 -0.49 -0.55 8.40 7.59 1gq2G1 ALA 284 HA 0.09 -0.01 0.29 -0.75 4.34 3.96 1gq2G1 ALA 284 HB3 -0.01 0.05 -0.13 -0.04 1.41 1.28 1gq2G1 SER 285 H 0.06 0.45 -0.30 -0.55 8.46 8.13 1gq2G1 SER 285 HA 0.15 0.09 0.29 -0.75 4.49 4.27 1gq2G1 SER 285 HB2 0.34 0.02 0.13 -0.04 3.95 4.40 1gq2G1 SER 285 HB3 0.19 0.07 0.11 -0.04 3.93 4.27 1gq2G1 VAL 286 H 0.11 0.36 -0.20 -0.55 8.24 7.96 1gq2G1 VAL 286 HA 0.11 0.10 0.37 -0.75 4.13 3.96 1gq2G1 VAL 286 HB 0.05 -0.02 -0.10 -0.04 2.12 2.01 1gq2G1 VAL 286 HG13 0.03 -0.01 -0.31 -0.04 0.97 0.64 1gq2G1 VAL 286 HG23 -0.28 -0.00 -0.06 -0.04 0.95 0.57 1gq2G1 ALA 287 H 0.13 0.59 -0.25 -0.55 8.40 8.32 1gq2G1 ALA 287 HA 0.23 -0.00 0.37 -0.75 4.34 4.18 1gq2G1 ALA 287 HB3 0.22 0.01 0.02 -0.04 1.41 1.62 1gq2G1 VAL 288 H 0.15 0.66 -0.10 -0.55 8.24 8.39 1gq2G1 VAL 288 HA 0.12 0.03 0.43 -0.75 4.13 3.96 1gq2G1 VAL 288 HB 0.11 0.10 0.05 -0.04 2.12 2.33 1gq2G1 VAL 288 HG13 0.07 0.01 -0.14 -0.04 0.97 0.87 1gq2G1 VAL 288 HG23 0.11 0.00 -0.13 -0.04 0.95 0.89 1gq2G1 ALA 289 H 0.14 0.37 -0.24 -0.55 8.40 8.13 1gq2G1 ALA 289 HA 0.05 0.12 0.46 -0.75 4.34 4.23 1gq2G1 ALA 289 HB3 0.14 -0.00 0.15 -0.04 1.41 1.66 1gq2G1 GLY 290 H 0.18 0.40 -0.32 -0.55 8.43 8.14 1gq2G1 GLY 290 HA2 -0.53 0.18 0.36 -0.51 4.01 3.51 1gq2G1 GLY 290 HA3 -0.08 0.00 0.22 -0.51 4.01 3.64 1gq2G1 LEU 291 H 0.15 0.40 -0.18 -0.55 8.37 8.19 1gq2G1 LEU 291 HA -0.04 0.02 0.39 -0.75 4.35 3.97 1gq2G1 LEU 291 HB2 0.02 0.08 0.10 -0.04 1.64 1.80 1gq2G1 LEU 291 HB3 -0.11 -0.03 -0.02 -0.04 1.64 1.43 1gq2G1 LEU 291 HG 0.13 0.25 0.03 -0.04 1.64 2.01 1gq2G1 LEU 291 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 1gq2G1 LEU 291 HD23 -0.42 -0.02 -0.10 -0.04 0.89 0.30 1gq2G1 LEU 292 H 0.02 0.67 -0.20 -0.55 8.37 8.31 1gq2G1 LEU 292 HA 0.00 -0.05 0.35 -0.75 4.35 3.90 1gq2G1 LEU 292 HB2 0.02 0.20 0.23 -0.04 1.64 2.05 1gq2G1 LEU 292 HB3 0.00 -0.01 -0.02 -0.04 1.64 1.57 1gq2G1 LEU 292 HG 0.02 -0.05 0.01 -0.04 1.64 1.58 1gq2G1 LEU 292 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.91 1gq2G1 LEU 292 HD23 0.04 0.00 -0.19 -0.04 0.89 0.70 1gq2G1 ALA 293 H -0.05 0.47 -0.27 -0.55 8.40 8.00 1gq2G1 ALA 293 HA -0.03 0.04 0.47 -0.75 4.34 4.06 1gq2G1 ALA 293 HB3 -0.12 0.02 0.15 -0.04 1.41 1.42 1gq2G1 ALA 294 H -0.04 0.58 -0.06 -0.55 8.40 8.33 1gq2G1 ALA 294 HA -0.00 0.02 0.35 -0.75 4.34 3.95 1gq2G1 ALA 294 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1gq2G1 LEU 295 H -0.01 0.53 -0.38 -0.55 8.37 7.96 1gq2G1 LEU 295 HA 0.07 -0.06 0.27 -0.75 4.35 3.88 1gq2G1 LEU 295 HB2 0.02 0.19 0.05 -0.04 1.64 1.86 1gq2G1 LEU 295 HB3 0.06 0.11 0.07 -0.04 1.64 1.83 1gq2G1 LEU 295 HG -0.01 0.26 0.01 -0.04 1.64 1.86 1gq2G1 LEU 295 HD13 0.04 -0.02 0.06 -0.04 0.93 0.97 1gq2G1 LEU 295 HD23 0.09 -0.04 -0.28 -0.04 0.89 0.61 1gq2G1 ARG 296 H 0.01 0.56 -0.48 -0.55 8.46 8.00 1gq2G1 ARG 296 HA 0.02 0.02 0.48 -0.75 4.34 4.11 1gq2G1 ARG 296 HB2 0.00 0.26 0.10 -0.04 1.90 2.22 1gq2G1 ARG 296 HB3 0.01 -0.10 0.11 -0.04 1.80 1.77 1gq2G1 ARG 296 HG2 0.01 -0.09 0.03 -0.04 1.67 1.57 1gq2G1 ARG 296 HG3 0.01 0.01 0.00 -0.04 1.67 1.65 1gq2G1 ARG 296 HD2 0.00 -0.05 0.00 -0.04 3.22 3.13 1gq2G1 ARG 296 HD3 -0.01 0.11 0.08 -0.04 3.22 3.36 1gq2G1 ILE 297 H 0.02 0.65 -0.29 -0.55 8.25 8.08 1gq2G1 ILE 297 HA 0.02 0.12 0.83 -0.75 4.18 4.40 1gq2G1 ILE 297 HB 0.03 0.12 0.15 -0.04 1.89 2.15 1gq2G1 ILE 297 HG12 0.02 -0.02 -0.09 -0.04 1.49 1.35 1gq2G1 ILE 297 HG13 0.01 -0.02 -0.15 -0.04 1.21 1.00 1gq2G1 ILE 297 HG23 0.03 -0.01 -0.14 -0.04 0.93 0.77 1gq2G1 ILE 297 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.79 1gq2G1 THR 298 H 0.05 0.40 0.11 -0.55 8.28 8.29 1gq2G1 THR 298 HA 0.04 0.11 0.53 -0.75 4.39 4.32 1gq2G1 THR 298 HB 0.09 -0.05 0.05 -0.04 4.32 4.38 1gq2G1 THR 298 HG23 0.09 0.02 -0.01 -0.04 1.22 1.28 1gq2G1 LYS 299 H 0.04 0.15 -0.50 -0.55 8.42 7.55 1gq2G1 LYS 299 HA 0.03 0.09 0.29 -0.75 4.32 3.97 1gq2G1 LYS 299 HB2 0.01 0.10 -0.19 -0.04 1.87 1.75 1gq2G1 LYS 299 HB3 0.01 -0.11 0.16 -0.04 1.79 1.82 1gq2G1 LYS 299 HG2 0.02 0.19 -0.34 -0.04 1.46 1.28 1gq2G1 LYS 299 HG3 0.01 -0.09 -0.08 -0.04 1.46 1.26 1gq2G1 LYS 299 HD2 0.01 -0.12 -0.00 -0.04 1.69 1.54 1gq2G1 LYS 299 HD3 0.02 0.05 -0.04 -0.04 1.68 1.67 1gq2G1 LYS 299 HE2 0.01 -0.07 0.07 -0.04 2.99 2.95 1gq2G1 LYS 299 HE3 0.01 0.26 0.05 -0.04 2.99 3.27 1gq2G1 ASN 300 H 0.06 0.20 -0.13 -0.55 8.53 8.12 1gq2G1 ASN 300 HA 0.02 0.13 0.70 -0.75 4.76 4.85 1gq2G1 ASN 300 HB2 -0.04 -0.19 0.16 -0.04 2.88 2.76 1gq2G1 ASN 300 HB3 -0.03 0.11 -0.07 -0.04 2.79 2.77 1gq2G1 ASN 300 HD21 -0.26 -0.02 -0.12 -0.04 7.03 6.59 1gq2G1 ASN 300 HD22 -0.14 -0.01 -0.08 -0.04 7.74 7.47 1gq2G1 ARG 301 H 0.02 0.13 0.12 -0.55 8.46 8.18 1gq2G1 ARG 301 HA 0.07 0.26 0.88 -0.75 4.34 4.80 1gq2G1 ARG 301 HB2 0.04 0.00 0.06 -0.04 1.90 1.96 1gq2G1 ARG 301 HB3 0.05 -0.11 0.06 -0.04 1.80 1.76 1gq2G1 ARG 301 HG2 0.04 0.09 -0.05 -0.04 1.67 1.70 1gq2G1 ARG 301 HG3 0.03 0.01 -0.06 -0.04 1.67 1.60 1gq2G1 ARG 301 HD2 0.03 0.02 0.02 -0.04 3.22 3.25 1gq2G1 ARG 301 HD3 0.02 0.03 -0.01 -0.04 3.22 3.22 1gq2G1 LEU 302 H 0.08 0.22 0.13 -0.55 8.37 8.26 1gq2G1 LEU 302 HA 0.21 0.10 0.32 -0.75 4.35 4.22 1gq2G1 LEU 302 HB2 0.05 0.03 0.09 -0.04 1.64 1.78 1gq2G1 LEU 302 HB3 0.07 0.01 0.04 -0.04 1.64 1.72 1gq2G1 LEU 302 HG 0.07 0.05 -0.13 -0.04 1.64 1.59 1gq2G1 LEU 302 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 1gq2G1 LEU 302 HD23 0.05 0.01 -0.02 -0.04 0.89 0.88 1gq2G1 SER 303 H 0.08 0.01 -0.32 -0.55 8.46 7.68 1gq2G1 SER 303 HA 0.09 0.16 0.29 -0.75 4.49 4.28 1gq2G1 SER 303 HB2 0.05 -0.03 -0.09 -0.04 3.95 3.83 1gq2G1 SER 303 HB3 0.05 0.02 0.01 -0.04 3.93 3.96 1gq2G1 ASP 304 H 0.08 0.46 -0.59 -0.55 8.40 7.80 1gq2G1 ASP 304 HA -0.00 0.09 0.60 -0.75 4.63 4.57 1gq2G1 ASP 304 HB2 -0.14 0.17 0.08 -0.04 2.71 2.78 1gq2G1 ASP 304 HB3 -0.12 0.01 0.06 -0.04 2.70 2.60 1gq2G1 HIS 305 H 0.18 0.29 -0.22 -0.55 8.41 8.11 1gq2G1 HIS 305 HA 0.04 0.13 0.56 -0.75 4.63 4.60 1gq2G1 HIS 305 HB2 0.02 0.14 0.03 -0.04 3.26 3.41 1gq2G1 HIS 305 HB3 0.01 -0.17 0.01 -0.04 3.20 3.00 1gq2G1 HIS 305 HD2 0.02 0.04 0.01 -0.04 6.97 6.99 1gq2G1 HIS 305 HE1 -0.01 0.04 -0.12 -0.04 7.75 7.62 1gq2G1 THR 306 H 0.18 0.02 0.13 -0.55 8.28 8.06 1gq2G1 THR 306 HA 0.21 0.34 0.84 -0.75 4.39 5.03 1gq2G1 THR 306 HB 0.12 -0.16 0.22 -0.04 4.32 4.46 1gq2G1 THR 306 HG23 0.30 0.03 -0.09 -0.04 1.22 1.42 1gq2G1 VAL 307 H 0.18 0.51 0.23 -0.55 8.24 8.61 1gq2G1 VAL 307 HA -0.03 0.17 1.02 -0.75 4.13 4.54 1gq2G1 VAL 307 HB -0.29 -0.05 -0.10 -0.04 2.12 1.64 1gq2G1 VAL 307 HG13 -0.09 -0.02 -0.12 -0.04 0.97 0.70 1gq2G1 VAL 307 HG23 0.21 -0.00 0.02 -0.04 0.95 1.13 1gq2G1 LEU 308 H -0.12 0.59 0.35 -0.55 8.37 8.64 1gq2G1 LEU 308 HA 0.21 0.24 0.96 -0.75 4.35 5.00 1gq2G1 LEU 308 HB2 0.02 0.06 -0.07 -0.04 1.64 1.61 1gq2G1 LEU 308 HB3 -0.04 0.01 0.20 -0.04 1.64 1.77 1gq2G1 LEU 308 HG 0.02 -0.08 -0.30 -0.04 1.64 1.23 1gq2G1 LEU 308 HD13 0.09 0.02 -0.10 -0.04 0.93 0.90 1gq2G1 LEU 308 HD23 -0.06 -0.01 -0.14 -0.04 0.89 0.64 1gq2G1 PHE 309 H 0.34 0.80 0.36 -0.55 8.34 9.28 1gq2G1 PHE 309 HA 0.08 0.17 1.06 -0.75 4.62 5.18 1gq2G1 PHE 309 HB2 -0.00 0.07 0.11 -0.04 3.15 3.29 1gq2G1 PHE 309 HB3 0.03 0.01 -0.06 -0.04 3.06 3.00 1gq2G1 PHE 309 HD2 -0.00 0.08 -0.09 -0.04 7.28 7.23 1gq2G1 PHE 309 HE2 -0.02 -0.01 -0.13 -0.04 7.38 7.19 1gq2G1 PHE 309 HZ -0.01 0.02 -0.25 -0.04 7.32 7.03 1gq2G1 GLN 310 H 0.24 0.62 0.40 -0.55 8.47 9.19 1gq2G1 GLN 310 HA 0.16 0.21 0.87 -0.75 4.36 4.84 1gq2G1 GLN 310 HB2 0.30 0.07 0.06 -0.04 2.15 2.54 1gq2G1 GLN 310 HB3 0.23 -0.28 0.28 -0.04 2.02 2.21 1gq2G1 GLN 310 HG2 0.12 0.05 -0.08 -0.04 2.40 2.46 1gq2G1 GLN 310 HG3 0.15 0.06 0.00 -0.04 2.39 2.56 1gq2G1 GLN 310 HE21 0.03 0.00 0.03 -0.04 6.97 6.99 1gq2G1 GLN 310 HE22 0.08 -0.20 0.02 -0.04 7.69 7.55 1gq2G1 GLY 311 H 0.12 0.96 0.20 -0.55 8.43 9.16 1gq2G1 GLY 311 HA2 0.07 -0.12 0.43 -0.51 4.01 3.88 1gq2G1 GLY 311 HA3 0.10 0.11 0.69 -0.51 4.01 4.39 1gq2G1 ALA 312 H 0.04 0.00 0.09 -0.55 8.40 7.99 1gq2G1 ALA 312 HA -0.06 0.23 0.64 -0.75 4.34 4.40 1gq2G1 ALA 312 HB3 -0.00 0.05 -0.06 -0.04 1.41 1.35 1gq2G1 GLY 313 H 0.03 0.13 -0.02 -0.55 8.43 8.02 1gq2G1 GLY 313 HA2 0.09 0.26 0.81 -0.51 4.01 4.66 1gq2G1 GLY 313 HA3 0.07 -0.02 0.40 -0.51 4.01 3.95 1gq2G1 GLU 314 H 0.11 0.11 0.12 -0.55 8.60 8.40 1gq2G1 GLU 314 HA 0.02 0.10 0.30 -0.75 4.29 3.95 1gq2G1 GLU 314 HB2 0.00 -0.03 0.08 -0.04 2.09 2.09 1gq2G1 GLU 314 HB3 -0.11 0.02 -0.20 -0.04 1.99 1.66 1gq2G1 GLU 314 HG2 -0.16 0.06 0.02 -0.04 2.34 2.22 1gq2G1 GLU 314 HG3 0.06 -0.10 0.10 -0.04 2.34 2.36 1gq2G1 ALA 315 H 0.03 0.01 -0.15 -0.55 8.40 7.75 1gq2G1 ALA 315 HA 0.02 0.25 0.55 -0.75 4.34 4.40 1gq2G1 ALA 315 HB3 0.07 0.01 0.06 -0.04 1.41 1.50 1gq2G1 ALA 316 H 0.02 -0.05 -0.20 -0.55 8.40 7.63 1gq2G1 ALA 316 HA -0.21 0.10 0.24 -0.75 4.34 3.71 1gq2G1 ALA 316 HB3 -0.15 0.02 -0.15 -0.04 1.41 1.09 1gq2G1 LEU 317 H -0.06 0.50 -0.23 -0.55 8.37 8.03 1gq2G1 LEU 317 HA -0.24 0.10 0.27 -0.75 4.35 3.72 1gq2G1 LEU 317 HB2 0.29 0.01 -0.10 -0.04 1.64 1.80 1gq2G1 LEU 317 HB3 0.10 -0.01 -0.10 -0.04 1.64 1.58 1gq2G1 LEU 317 HG -0.05 -0.01 -0.23 -0.04 1.64 1.31 1gq2G1 LEU 317 HD13 -0.13 -0.06 -0.15 -0.04 0.93 0.55 1gq2G1 LEU 317 HD23 -0.03 0.01 -0.15 -0.04 0.89 0.67 1gq2G1 GLY 318 H -0.00 0.33 -0.37 -0.55 8.43 7.84 1gq2G1 GLY 318 HA2 0.01 -0.04 0.40 -0.51 4.01 3.86 1gq2G1 GLY 318 HA3 -0.03 0.21 0.41 -0.51 4.01 4.09 1gq2G1 ILE 319 H -0.02 0.76 0.06 -0.55 8.25 8.50 1gq2G1 ILE 319 HA 0.09 -0.06 0.40 -0.75 4.18 3.86 1gq2G1 ILE 319 HB 0.15 0.10 0.07 -0.04 1.89 2.17 1gq2G1 ILE 319 HG12 0.16 -0.04 -0.18 -0.04 1.49 1.39 1gq2G1 ILE 319 HG13 0.10 0.19 0.02 -0.04 1.21 1.47 1gq2G1 ILE 319 HG23 0.37 -0.00 -0.20 -0.04 0.93 1.06 1gq2G1 ILE 319 HD13 0.28 -0.04 -0.22 -0.04 0.88 0.85 1gq2G1 ALA 320 H -0.33 0.72 -0.12 -0.55 8.40 8.13 1gq2G1 ALA 320 HA -0.03 0.03 0.31 -0.75 4.34 3.89 1gq2G1 ALA 320 HB3 -0.81 0.02 -0.00 -0.04 1.41 0.58 1gq2G1 ASN 321 H -0.02 0.49 -0.25 -0.55 8.53 8.20 1gq2G1 ASN 321 HA 0.14 0.02 0.37 -0.75 4.76 4.53 1gq2G1 ASN 321 HB2 0.06 0.01 0.12 -0.04 2.88 3.02 1gq2G1 ASN 321 HB3 0.04 0.10 0.15 -0.04 2.79 3.03 1gq2G1 ASN 321 HD21 0.00 -0.05 -0.02 -0.04 7.03 6.92 1gq2G1 ASN 321 HD22 -0.02 0.00 -0.00 -0.04 7.74 7.68 1gq2G1 LEU 322 H 0.05 0.43 -0.15 -0.55 8.37 8.16 1gq2G1 LEU 322 HA 0.08 -0.01 0.39 -0.75 4.35 4.05 1gq2G1 LEU 322 HB2 0.06 0.01 0.08 -0.04 1.64 1.75 1gq2G1 LEU 322 HB3 0.09 0.07 -0.03 -0.04 1.64 1.74 1gq2G1 LEU 322 HG 0.10 -0.12 -0.25 -0.04 1.64 1.33 1gq2G1 LEU 322 HD13 0.10 0.02 -0.15 -0.04 0.93 0.87 1gq2G1 LEU 322 HD23 0.11 -0.02 -0.05 -0.04 0.89 0.89 1gq2G1 ILE 323 H 0.10 0.61 -0.13 -0.55 8.25 8.28 1gq2G1 ILE 323 HA 0.09 -0.06 0.30 -0.75 4.18 3.76 1gq2G1 ILE 323 HB 0.15 0.15 0.08 -0.04 1.89 2.22 1gq2G1 ILE 323 HG12 0.12 -0.08 -0.06 -0.04 1.49 1.42 1gq2G1 ILE 323 HG13 0.17 0.31 -0.04 -0.04 1.21 1.61 1gq2G1 ILE 323 HG23 0.11 -0.02 -0.22 -0.04 0.93 0.77 1gq2G1 ILE 323 HD13 0.23 -0.04 -0.17 -0.04 0.88 0.86 1gq2G1 VAL 324 H 0.13 0.44 -0.29 -0.55 8.24 7.96 1gq2G1 VAL 324 HA 0.11 -0.00 0.14 -0.75 4.13 3.63 1gq2G1 VAL 324 HB 0.13 0.15 0.12 -0.04 2.12 2.47 1gq2G1 VAL 324 HG13 0.09 -0.05 0.07 -0.04 0.97 1.04 1gq2G1 VAL 324 HG23 0.24 0.04 -0.10 -0.04 0.95 1.09 1gq2G1 ALA 326 HA 0.05 -0.14 0.17 -0.75 4.34 3.66 1gq2G1 ALA 326 HB3 0.06 0.02 0.06 -0.04 1.41 1.51 1gq2G1 GLN 328 HA 0.04 0.21 0.34 -0.75 4.36 4.20 1gq2G1 GLN 328 HB2 0.04 0.00 -0.08 -0.04 2.15 2.08 1gq2G1 GLN 328 HB3 0.03 -0.11 -0.02 -0.04 2.02 1.89 1gq2G1 GLN 328 HG2 0.04 -0.13 -0.16 -0.04 2.40 2.10 1gq2G1 GLN 328 HG3 0.05 0.36 0.09 -0.04 2.39 2.86 1gq2G1 GLN 328 HE21 0.03 -0.03 0.01 -0.04 6.97 6.95 1gq2G1 GLN 328 HE22 0.03 -0.06 0.03 -0.04 7.69 7.64 1gq2G1 LYS 329 H 0.04 0.37 -1.56 -0.55 8.42 6.72 1gq2G1 LYS 329 HA 0.03 -0.00 0.40 -0.75 4.32 3.99 1gq2G1 LYS 329 HB2 0.04 -0.02 0.00 -0.04 1.87 1.85 1gq2G1 LYS 329 HB3 0.04 0.22 0.06 -0.04 1.79 2.07 1gq2G1 LYS 329 HG2 0.03 -0.01 -0.01 -0.04 1.46 1.43 1gq2G1 LYS 329 HG3 0.03 -0.06 0.06 -0.04 1.46 1.45 1gq2G1 LYS 329 HD2 0.04 -0.02 -0.03 -0.04 1.69 1.63 1gq2G1 LYS 329 HD3 0.03 0.04 -0.03 -0.04 1.68 1.69 1gq2G1 LYS 329 HE2 0.02 0.00 -0.02 -0.04 2.99 2.95 1gq2G1 LYS 329 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.93 1gq2G1 GLU 330 H 0.04 0.26 0.12 -0.55 8.60 8.47 1gq2G1 GLU 330 HA 0.03 0.12 0.63 -0.75 4.29 4.31 1gq2G1 GLU 330 HB2 0.04 -0.01 0.00 -0.04 2.09 2.09 1gq2G1 GLU 330 HB3 0.04 -0.06 0.04 -0.04 1.99 1.96 1gq2G1 GLU 330 HG2 0.04 0.02 0.04 -0.04 2.34 2.39 1gq2G1 GLU 330 HG3 0.04 0.27 0.04 -0.04 2.34 2.66 1gq2G1 GLY 331 H 0.03 0.31 -0.30 -0.55 8.43 7.93 1gq2G1 GLY 331 HA2 0.02 0.03 0.24 -0.51 4.01 3.80 1gq2G1 GLY 331 HA3 0.02 0.16 0.87 -0.51 4.01 4.55 1gq2G1 VAL 332 H 0.03 0.02 -0.02 -0.55 8.24 7.73 1gq2G1 VAL 332 HA 0.02 0.05 0.57 -0.75 4.13 4.02 1gq2G1 VAL 332 HB 0.04 -0.02 0.04 -0.04 2.12 2.14 1gq2G1 VAL 332 HG13 0.04 -0.00 -0.16 -0.04 0.97 0.81 1gq2G1 VAL 332 HG23 0.03 0.00 -0.02 -0.04 0.95 0.93 1gq2G1 SER 333 H 0.02 0.06 0.18 -0.55 8.46 8.17 1gq2G1 SER 333 HA 0.01 0.20 0.58 -0.75 4.49 4.53 1gq2G1 SER 333 HB2 -0.00 -0.07 0.15 -0.04 3.95 3.99 1gq2G1 SER 333 HB3 0.00 0.12 0.14 -0.04 3.93 4.16 1gq2G1 LYS 334 H 0.01 0.16 0.20 -0.55 8.42 8.23 1gq2G1 LYS 334 HA 0.03 0.22 0.42 -0.75 4.32 4.24 1gq2G1 LYS 334 HB2 0.02 0.07 0.16 -0.04 1.87 2.08 1gq2G1 LYS 334 HB3 0.00 -0.11 0.18 -0.04 1.79 1.82 1gq2G1 LYS 334 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.38 1gq2G1 LYS 334 HG3 0.01 0.02 -0.21 -0.04 1.46 1.24 1gq2G1 LYS 334 HD2 0.06 0.04 0.04 -0.04 1.69 1.79 1gq2G1 LYS 334 HD3 0.04 0.05 0.05 -0.04 1.68 1.78 1gq2G1 LYS 334 HE2 0.06 -0.02 -0.01 -0.04 2.99 2.98 1gq2G1 LYS 334 HE3 0.04 0.02 -0.00 -0.04 2.99 3.01 1gq2G1 GLU 335 H -0.01 0.02 -0.11 -0.55 8.60 7.95 1gq2G1 GLU 335 HA -0.06 0.15 0.43 -0.75 4.29 4.06 1gq2G1 GLU 335 HB2 -0.07 0.06 0.07 -0.04 2.09 2.11 1gq2G1 GLU 335 HB3 -0.04 -0.06 0.12 -0.04 1.99 1.97 1gq2G1 GLU 335 HG2 -0.03 -0.06 0.00 -0.04 2.34 2.21 1gq2G1 GLU 335 HG3 -0.04 0.12 -0.40 -0.04 2.34 1.98 1gq2G1 GLU 336 H -0.01 -0.02 -0.21 -0.55 8.60 7.81 1gq2G1 GLU 336 HA -0.02 0.08 0.40 -0.75 4.29 3.99 1gq2G1 GLU 336 HB2 -0.00 -0.12 0.13 -0.04 2.09 2.06 1gq2G1 GLU 336 HB3 0.02 0.06 0.07 -0.04 1.99 2.10 1gq2G1 GLU 336 HG2 0.02 0.12 -0.03 -0.04 2.34 2.41 1gq2G1 GLU 336 HG3 0.00 -0.02 0.06 -0.04 2.34 2.34 1gq2G1 ALA 337 H 0.03 0.54 -0.21 -0.55 8.40 8.21 1gq2G1 ALA 337 HA 0.07 0.06 0.36 -0.75 4.34 4.07 1gq2G1 ALA 337 HB3 0.07 0.03 0.05 -0.04 1.41 1.52 1gq2G1 ILE 338 H 0.03 0.36 -0.19 -0.55 8.25 7.91 1gq2G1 ILE 338 HA 0.22 0.02 0.40 -0.75 4.18 4.06 1gq2G1 ILE 338 HB -0.07 0.09 0.14 -0.04 1.89 2.01 1gq2G1 ILE 338 HG12 0.06 -0.06 0.04 -0.04 1.49 1.49 1gq2G1 ILE 338 HG13 0.04 0.27 0.18 -0.04 1.21 1.65 1gq2G1 ILE 338 HG23 -0.21 -0.01 0.00 -0.04 0.93 0.67 1gq2G1 ILE 338 HD13 -0.10 -0.06 -0.02 -0.04 0.88 0.66 1gq2G1 LYS 339 H -0.02 0.30 -0.39 -0.55 8.42 7.75 1gq2G1 LYS 339 HA -0.44 0.03 0.41 -0.75 4.32 3.58 1gq2G1 LYS 339 HB2 -0.05 0.23 0.14 -0.04 1.87 2.15 1gq2G1 LYS 339 HB3 -0.12 -0.05 0.06 -0.04 1.79 1.64 1gq2G1 LYS 339 HG2 -0.34 -0.03 0.03 -0.04 1.46 1.08 1gq2G1 LYS 339 HG3 -0.13 0.08 0.05 -0.04 1.46 1.42 1gq2G1 LYS 339 HD2 -0.07 0.01 0.02 -0.04 1.69 1.61 1gq2G1 LYS 339 HD3 -0.17 -0.01 0.03 -0.04 1.68 1.50 1gq2G1 LYS 339 HE2 -0.07 -0.05 0.00 -0.04 2.99 2.83 1gq2G1 LYS 339 HE3 -0.13 -0.02 -0.00 -0.04 2.99 2.79 1gq2G1 ARG 340 H 0.10 0.39 -0.43 -0.55 8.46 7.96 1gq2G1 ARG 340 HA 0.21 0.09 0.62 -0.75 4.34 4.51 1gq2G1 ARG 340 HB2 0.15 0.02 0.03 -0.04 1.90 2.05 1gq2G1 ARG 340 HB3 0.16 0.13 0.23 -0.04 1.80 2.28 1gq2G1 ARG 340 HG2 0.08 -0.00 0.05 -0.04 1.67 1.76 1gq2G1 ARG 340 HG3 0.10 -0.10 0.05 -0.04 1.67 1.68 1gq2G1 ARG 340 HD2 0.11 0.43 0.04 -0.04 3.22 3.75 1gq2G1 ARG 340 HD3 0.11 -0.11 -0.01 -0.04 3.22 3.17 1gq2G1 ILE 341 H 0.15 0.42 -0.36 -0.55 8.25 7.92 1gq2G1 ILE 341 HA 0.22 0.17 1.06 -0.75 4.18 4.87 1gq2G1 ILE 341 HB 0.33 0.10 0.14 -0.04 1.89 2.42 1gq2G1 ILE 341 HG12 0.22 -0.07 -0.11 -0.04 1.49 1.49 1gq2G1 ILE 341 HG13 0.20 0.05 -0.25 -0.04 1.21 1.17 1gq2G1 ILE 341 HG23 -0.14 -0.06 -0.12 -0.04 0.93 0.57 1gq2G1 ILE 341 HD13 0.23 -0.05 -0.08 -0.04 0.88 0.94 1gq2G1 TRP 342 H 0.35 0.75 0.31 -0.55 7.97 8.83 1gq2G1 TRP 342 HA -0.09 0.31 0.83 -0.75 4.62 4.91 1gq2G1 TRP 342 HB2 0.02 0.01 0.16 -0.04 3.23 3.38 1gq2G1 TRP 342 HB3 -0.03 -0.09 0.12 -0.04 3.23 3.19 1gq2G1 TRP 342 HD1 0.09 0.11 -0.29 -0.04 7.22 7.08 1gq2G1 TRP 342 HE1 0.15 0.06 -0.08 -0.04 10.20 10.29 1gq2G1 TRP 342 HE3 -0.13 -0.06 0.05 -0.04 7.59 7.41 1gq2G1 TRP 342 HZ2 0.21 0.00 -0.01 -0.04 7.44 7.61 1gq2G1 TRP 342 HZ3 -0.07 -0.06 -0.09 -0.04 7.13 6.87 1gq2G1 TRP 342 HH2 0.27 -0.00 -0.08 -0.04 7.19 7.33 1gq2G1 VAL 344 HA 0.07 -0.03 0.17 -0.75 4.13 3.60 1gq2G1 VAL 344 HB 0.10 -0.04 0.14 -0.04 2.12 2.28 1gq2G1 VAL 344 HG13 0.06 -0.04 -0.31 -0.04 0.97 0.64 1gq2G1 VAL 344 HG23 0.07 -0.01 -0.10 -0.04 0.95 0.88 1gq2G1 ASP 345 H 0.05 0.54 0.14 -0.55 8.40 8.58 1gq2G1 ASP 345 HA 0.05 0.09 0.91 -0.75 4.63 4.93 1gq2G1 ASP 345 HB2 0.03 -0.18 0.21 -0.04 2.71 2.73 1gq2G1 ASP 345 HB3 0.03 0.06 -0.00 -0.04 2.70 2.74 1gq2G1 SER 346 H 0.03 0.10 0.17 -0.55 8.46 8.21 1gq2G1 SER 346 HA 0.03 0.10 0.35 -0.75 4.49 4.22 1gq2G1 SER 346 HB2 0.02 0.05 0.12 -0.04 3.95 4.10 1gq2G1 SER 346 HB3 0.02 -0.04 0.17 -0.04 3.93 4.04 1gq2G1 LYS 347 H 0.03 -0.03 -0.46 -0.55 8.42 7.41 1gq2G1 LYS 347 HA 0.02 0.14 0.75 -0.75 4.32 4.48 1gq2G1 LYS 347 HB2 0.02 0.00 0.02 -0.04 1.87 1.87 1gq2G1 LYS 347 HB3 0.02 0.06 0.01 -0.04 1.79 1.84 1gq2G1 LYS 347 HG2 0.02 0.00 -0.06 -0.04 1.46 1.38 1gq2G1 LYS 347 HG3 0.02 -0.05 -0.02 -0.04 1.46 1.36 1gq2G1 LYS 347 HD2 0.01 -0.07 -0.04 -0.04 1.69 1.56 1gq2G1 LYS 347 HD3 0.02 0.09 -0.09 -0.04 1.68 1.66 1gq2G1 LYS 347 HE2 0.02 0.07 0.07 -0.04 2.99 3.11 1gq2G1 LYS 347 HE3 0.02 -0.02 0.03 -0.04 2.99 2.98 1gq2G1 GLY 348 H 0.04 0.33 -0.08 -0.55 8.43 8.17 1gq2G1 GLY 348 HA2 0.04 0.07 0.28 -0.51 4.01 3.89 1gq2G1 GLY 348 HA3 0.04 0.21 0.94 -0.51 4.01 4.68 1gq2G1 LEU 349 H 0.04 0.15 0.13 -0.55 8.37 8.14 1gq2G1 LEU 349 HA 0.07 0.06 0.43 -0.75 4.35 4.16 1gq2G1 LEU 349 HB2 0.00 0.00 0.09 -0.04 1.64 1.69 1gq2G1 LEU 349 HB3 0.04 -0.04 0.06 -0.04 1.64 1.65 1gq2G1 LEU 349 HG 0.13 0.04 -0.43 -0.04 1.64 1.34 1gq2G1 LEU 349 HD13 0.20 -0.03 0.09 -0.04 0.93 1.16 1gq2G1 LEU 349 HD23 -0.22 0.03 -0.08 -0.04 0.89 0.59 1gq2G1 ILE 350 H 0.10 0.21 0.21 -0.55 8.25 8.22 1gq2G1 ILE 350 HA 0.05 0.08 0.70 -0.75 4.18 4.27 1gq2G1 ILE 350 HB 0.04 0.08 0.18 -0.04 1.89 2.16 1gq2G1 ILE 350 HG12 0.04 -0.02 -0.03 -0.04 1.49 1.43 1gq2G1 ILE 350 HG13 0.05 -0.00 0.01 -0.04 1.21 1.23 1gq2G1 ILE 350 HG23 0.03 -0.01 -0.30 -0.04 0.93 0.61 1gq2G1 ILE 350 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.80 1gq2G1 VAL 351 H 0.07 0.18 0.10 -0.55 8.24 8.04 1gq2G1 VAL 351 HA 0.12 0.22 0.97 -0.75 4.13 4.69 1gq2G1 VAL 351 HB 0.18 0.11 0.07 -0.04 2.12 2.43 1gq2G1 VAL 351 HG13 0.21 0.02 -0.47 -0.04 0.97 0.70 1gq2G1 VAL 351 HG23 0.09 -0.02 -0.20 -0.04 0.95 0.78 1gq2G1 LYS 352 H 0.10 0.72 -0.09 -0.55 8.42 8.60 1gq2G1 LYS 352 HA 0.03 -0.01 0.28 -0.75 4.32 3.87 1gq2G1 LYS 352 HB2 0.06 0.01 -0.28 -0.04 1.87 1.62 1gq2G1 LYS 352 HB3 0.03 -0.03 -0.15 -0.04 1.79 1.60 1gq2G1 LYS 352 HG2 0.01 0.33 -0.16 -0.04 1.46 1.61 1gq2G1 LYS 352 HG3 0.01 -0.04 -0.07 -0.04 1.46 1.31 1gq2G1 LYS 352 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.62 1gq2G1 LYS 352 HD3 0.00 -0.07 -0.01 -0.04 1.68 1.56 1gq2G1 LYS 352 HE2 -0.01 -0.09 0.04 -0.04 2.99 2.88 1gq2G1 LYS 352 HE3 0.00 -0.07 0.05 -0.04 2.99 2.93 1gq2G1 GLY 353 H 0.02 0.10 0.15 -0.55 8.43 8.15 1gq2G1 GLY 353 HA2 0.01 -0.03 0.32 -0.51 4.01 3.79 1gq2G1 GLY 353 HA3 0.02 0.04 0.40 -0.51 4.01 3.97 1gq2G1 ARG 354 H 0.03 0.28 -0.17 -0.55 8.46 8.05 1gq2G1 ARG 354 HA 0.03 0.06 0.59 -0.75 4.34 4.27 1gq2G1 ARG 354 HB2 0.05 0.10 0.04 -0.04 1.90 2.05 1gq2G1 ARG 354 HB3 0.03 -0.03 -0.01 -0.04 1.80 1.75 1gq2G1 ARG 354 HG2 0.03 -0.13 0.09 -0.04 1.67 1.63 1gq2G1 ARG 354 HG3 0.04 -0.04 0.04 -0.04 1.67 1.67 1gq2G1 ARG 354 HD2 0.04 -0.02 -0.06 -0.04 3.22 3.14 1gq2G1 ARG 354 HD3 0.05 0.02 0.09 -0.04 3.22 3.34 1gq2G1 ALA 356 H 0.02 0.09 0.12 -0.55 8.40 8.09 1gq2G1 ALA 356 HA 0.01 0.09 0.51 -0.75 4.34 4.20 1gq2G1 ALA 356 HB3 0.01 -0.00 0.09 -0.04 1.41 1.47 1gq2G1 SER 357 H 0.01 0.09 0.13 -0.55 8.46 8.14 1gq2G1 SER 357 HA 0.00 -0.01 0.33 -0.75 4.49 4.06 1gq2G1 SER 357 HB2 0.01 0.18 0.04 -0.04 3.95 4.14 1gq2G1 SER 357 HB3 0.01 -0.06 0.13 -0.04 3.93 3.96 1gq2G1 LEU 358 H -0.00 0.11 -0.06 -0.55 8.37 7.87 1gq2G1 LEU 358 HA 0.00 0.18 0.91 -0.75 4.35 4.69 1gq2G1 LEU 358 HB2 0.00 0.08 -0.08 -0.04 1.64 1.60 1gq2G1 LEU 358 HB3 -0.00 -0.02 -0.13 -0.04 1.64 1.45 1gq2G1 LEU 358 HG 0.01 -0.08 -0.11 -0.04 1.64 1.42 1gq2G1 LEU 358 HD13 0.02 0.08 -0.47 -0.04 0.93 0.52 1gq2G1 LEU 358 HD23 0.01 0.04 -0.09 -0.04 0.89 0.82 1gq2G1 THR 359 H -0.02 0.12 0.16 -0.55 8.28 7.99 1gq2G1 THR 359 HA -0.04 0.28 0.84 -0.75 4.39 4.72 1gq2G1 THR 359 HB -0.05 -0.02 0.12 -0.04 4.32 4.33 1gq2G1 THR 359 HG23 -0.12 -0.10 0.01 -0.04 1.22 0.97 1gq2G1 PRO 360 HA -0.04 0.14 0.43 -0.51 4.44 4.46 1gq2G1 PRO 360 HB2 -0.08 -0.01 0.07 -0.04 2.28 2.21 1gq2G1 PRO 360 HB3 -0.05 0.11 0.06 -0.04 2.02 2.09 1gq2G1 PRO 360 HG2 -0.05 0.06 0.08 -0.04 2.03 2.07 1gq2G1 PRO 360 HG3 -0.04 0.09 0.06 -0.04 2.03 2.11 1gq2G1 PRO 360 HD2 -0.07 0.05 0.22 -0.04 3.68 3.84 1gq2G1 PRO 360 HD3 -0.04 0.20 0.20 -0.04 3.65 3.96 1gq2G1 GLU 361 H -0.12 0.05 -0.21 -0.55 8.60 7.78 1gq2G1 GLU 361 HA -0.09 0.17 0.36 -0.75 4.29 3.98 1gq2G1 GLU 361 HB2 -0.25 -0.11 0.02 -0.04 2.09 1.71 1gq2G1 GLU 361 HB3 -0.19 0.08 -0.08 -0.04 1.99 1.76 1gq2G1 GLU 361 HG2 -0.47 0.03 -0.04 -0.04 2.34 1.83 1gq2G1 GLU 361 HG3 -0.22 0.07 -0.03 -0.04 2.34 2.11 1gq2G1 LYS 362 H -0.04 -0.07 -0.29 -0.55 8.42 7.47 1gq2G1 LYS 362 HA 0.09 0.18 0.51 -0.75 4.32 4.34 1gq2G1 LYS 362 HB2 -0.00 -0.31 0.21 -0.04 1.87 1.73 1gq2G1 LYS 362 HB3 0.02 0.12 -0.03 -0.04 1.79 1.86 1gq2G1 LYS 362 HG2 -0.00 0.13 0.04 -0.04 1.46 1.58 1gq2G1 LYS 362 HG3 -0.03 -0.10 0.05 -0.04 1.46 1.33 1gq2G1 LYS 362 HD2 -0.01 -0.13 0.10 -0.04 1.69 1.61 1gq2G1 LYS 362 HD3 0.01 0.11 0.05 -0.04 1.68 1.81 1gq2G1 LYS 362 HE2 0.00 0.04 0.04 -0.04 2.99 3.03 1gq2G1 LYS 362 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.91 1gq2G1 GLU 363 H -0.00 0.73 -0.02 -0.55 8.60 8.77 1gq2G1 GLU 363 HA -0.00 0.01 0.26 -0.75 4.29 3.80 1gq2G1 GLU 363 HB2 -0.01 -0.05 -0.02 -0.04 2.09 1.96 1gq2G1 GLU 363 HB3 -0.02 0.12 0.00 -0.04 1.99 2.05 1gq2G1 GLU 363 HG2 -0.04 0.00 -0.05 -0.04 2.34 2.22 1gq2G1 GLU 363 HG3 -0.03 0.04 0.10 -0.04 2.34 2.40 1gq2G1 HIS 364 H 0.06 0.09 -1.11 -0.55 8.41 6.91 1gq2G1 HIS 364 HA -0.21 0.02 0.39 -0.75 4.63 4.08 1gq2G1 HIS 364 HB2 -0.17 -0.01 0.06 -0.04 3.26 3.10 1gq2G1 HIS 364 HB3 -0.31 0.18 0.02 -0.04 3.20 3.05 1gq2G1 HIS 364 HD2 -1.59 0.08 -0.22 -0.04 6.97 5.20 1gq2G1 HIS 364 HE1 -0.14 -0.05 -0.01 -0.04 7.75 7.50 1gq2G1 PHE 365 H 0.11 0.58 -0.17 -0.55 8.34 8.30 1gq2G1 PHE 365 HA -0.06 0.26 0.83 -0.75 4.62 4.90 1gq2G1 PHE 365 HB2 -0.11 -0.07 0.05 -0.04 3.15 2.98 1gq2G1 PHE 365 HB3 -0.24 0.12 0.14 -0.04 3.06 3.05 1gq2G1 PHE 365 HD2 -0.03 0.14 0.02 -0.04 7.28 7.37 1gq2G1 PHE 365 HE2 -0.05 -0.01 -0.06 -0.04 7.38 7.21 1gq2G1 PHE 365 HZ -0.06 -0.03 -0.20 -0.04 7.32 6.99 1gq2G1 ALA 366 H -0.04 0.27 -0.49 -0.55 8.40 7.59 1gq2G1 ALA 366 HA -0.06 0.20 0.38 -0.75 4.34 4.11 1gq2G1 ALA 366 HB3 0.00 -0.02 -0.23 -0.04 1.41 1.12 1gq2G1 HIS 367 H -0.11 0.35 0.26 -0.55 8.41 8.37 1gq2G1 HIS 367 HA -0.12 0.16 0.83 -0.75 4.63 4.74 1gq2G1 HIS 367 HB2 -0.51 0.00 0.03 -0.04 3.26 2.75 1gq2G1 HIS 367 HB3 -0.16 -0.01 0.06 -0.04 3.20 3.06 1gq2G1 HIS 367 HD2 -0.26 -0.05 -0.75 -0.04 6.97 5.87 1gq2G1 HIS 367 HE1 -0.71 0.11 -0.06 -0.04 7.75 7.05 1gq2G1 GLU 368 H 0.10 0.17 0.15 -0.55 8.60 8.47 1gq2G1 GLU 368 HA 0.12 0.02 0.60 -0.75 4.29 4.27 1gq2G1 GLU 368 HB2 0.06 0.01 0.20 -0.04 2.09 2.32 1gq2G1 GLU 368 HB3 0.08 0.01 0.02 -0.04 1.99 2.06 1gq2G1 GLU 368 HG2 0.04 0.01 0.01 -0.04 2.34 2.36 1gq2G1 GLU 368 HG3 0.04 -0.02 0.01 -0.04 2.34 2.33 1gq2G1 HIS 369 H 0.20 0.35 0.27 -0.55 8.41 8.70 1gq2G1 HIS 369 HA 0.13 0.02 0.44 -0.75 4.63 4.46 1gq2G1 HIS 369 HB2 0.47 0.14 -0.42 -0.04 3.26 3.41 1gq2G1 HIS 369 HB3 0.31 0.00 -0.19 -0.04 3.20 3.28 1gq2G1 HIS 369 HD2 -0.00 0.07 -0.01 -0.04 6.97 6.99 1gq2G1 HIS 369 HE1 -0.06 -0.04 -0.03 -0.04 7.75 7.57 1gq2G1 CYS 370 H -0.26 0.12 0.11 -0.55 8.50 7.92 1gq2G1 CYS 370 HA 0.07 0.04 0.53 -0.75 4.58 4.47 1gq2G1 CYS 370 HB2 0.03 0.01 0.07 -0.04 2.97 3.04 1gq2G1 CYS 370 HB3 -0.04 -0.03 0.10 -0.04 2.97 2.95 1gq2G1 GLU 373 H 0.08 0.05 0.08 -0.55 8.60 8.26 1gq2G1 GLU 373 HA 0.10 0.19 0.26 -0.75 4.29 4.08 1gq2G1 GLU 373 HB2 0.05 -0.03 0.09 -0.04 2.09 2.16 1gq2G1 GLU 373 HB3 0.05 0.06 0.08 -0.04 1.99 2.15 1gq2G1 GLU 373 HG2 0.07 0.10 -0.02 -0.04 2.34 2.45 1gq2G1 GLU 373 HG3 0.05 -0.05 0.09 -0.04 2.34 2.39 1gq2G1 LYS 375 HA 0.03 -0.04 0.30 -0.75 4.32 3.85 1gq2G1 LYS 375 HB2 0.02 0.03 0.06 -0.04 1.87 1.93 1gq2G1 LYS 375 HB3 0.02 -0.08 0.04 -0.04 1.79 1.73 1gq2G1 LYS 375 HG2 0.02 -0.05 -0.06 -0.04 1.46 1.34 1gq2G1 LYS 375 HG3 0.02 -0.03 -0.05 -0.04 1.46 1.36 1gq2G1 LYS 375 HD2 0.02 -0.01 -0.00 -0.04 1.69 1.65 1gq2G1 LYS 375 HD3 0.03 0.25 0.04 -0.04 1.68 1.95 1gq2G1 LYS 375 HE2 0.02 0.03 0.04 -0.04 2.99 3.04 1gq2G1 LYS 375 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 1gq2G1 ASN 376 H 0.02 0.18 0.14 -0.55 8.53 8.33 1gq2G1 ASN 376 HA 0.02 0.06 0.59 -0.75 4.76 4.67 1gq2G1 ASN 376 HB2 0.01 0.08 0.13 -0.04 2.88 3.06 1gq2G1 ASN 376 HB3 0.01 0.04 0.17 -0.04 2.79 2.96 1gq2G1 ASN 376 HD21 0.01 0.01 0.04 -0.04 7.03 7.04 1gq2G1 ASN 376 HD22 0.01 0.08 0.05 -0.04 7.74 7.84 1gq2G1 LEU 377 H 0.03 0.16 0.22 -0.55 8.37 8.23 1gq2G1 LEU 377 HA 0.02 0.17 0.41 -0.75 4.35 4.20 1gq2G1 LEU 377 HB2 0.06 0.07 0.11 -0.04 1.64 1.83 1gq2G1 LEU 377 HB3 0.05 -0.05 0.15 -0.04 1.64 1.75 1gq2G1 LEU 377 HG 0.02 0.00 -0.21 -0.04 1.64 1.41 1gq2G1 LEU 377 HD13 0.05 0.01 -0.03 -0.04 0.93 0.92 1gq2G1 LEU 377 HD23 0.17 0.02 -0.05 -0.04 0.89 0.99 1gq2G1 GLU 378 H 0.02 0.07 -0.01 -0.55 8.60 8.12 1gq2G1 GLU 378 HA 0.00 0.13 0.40 -0.75 4.29 4.07 1gq2G1 GLU 378 HB2 0.00 -0.02 0.09 -0.04 2.09 2.13 1gq2G1 GLU 378 HB3 0.00 -0.06 0.09 -0.04 1.99 1.98 1gq2G1 GLU 378 HG2 -0.00 0.01 -0.18 -0.04 2.34 2.13 1gq2G1 GLU 378 HG3 0.01 0.07 -0.19 -0.04 2.34 2.18 1gq2G1 ASP 379 H -0.00 0.03 -0.33 -0.55 8.40 7.55 1gq2G1 ASP 379 HA -0.02 0.10 0.42 -0.75 4.63 4.38 1gq2G1 ASP 379 HB2 -0.00 0.07 0.04 -0.04 2.71 2.77 1gq2G1 ASP 379 HB3 -0.01 0.07 -0.02 -0.04 2.70 2.70 1gq2G1 ILE 380 H -0.02 0.32 -0.25 -0.55 8.25 7.75 1gq2G1 ILE 380 HA -0.09 0.05 0.37 -0.75 4.18 3.75 1gq2G1 ILE 380 HB -0.03 0.06 0.12 -0.04 1.89 2.00 1gq2G1 ILE 380 HG12 -0.04 -0.02 -0.06 -0.04 1.49 1.33 1gq2G1 ILE 380 HG13 -0.01 0.38 0.03 -0.04 1.21 1.56 1gq2G1 ILE 380 HG23 -0.11 0.00 -0.11 -0.04 0.93 0.67 1gq2G1 ILE 380 HD13 0.01 -0.04 -0.14 -0.04 0.88 0.67 1gq2G1 VAL 381 H -0.03 0.53 -0.19 -0.55 8.24 8.01 1gq2G1 VAL 381 HA -0.04 0.04 0.35 -0.75 4.13 3.73 1gq2G1 VAL 381 HB 0.02 0.11 0.17 -0.04 2.12 2.37 1gq2G1 VAL 381 HG13 0.14 0.02 -0.11 -0.04 0.97 0.97 1gq2G1 VAL 381 HG23 -0.06 0.05 -0.00 -0.04 0.95 0.89 1gq2G1 LYS 382 H -0.02 0.35 -0.18 -0.55 8.42 8.01 1gq2G1 LYS 382 HA -0.16 0.07 0.40 -0.75 4.32 3.88 1gq2G1 LYS 382 HB2 -0.05 0.02 0.10 -0.04 1.87 1.89 1gq2G1 LYS 382 HB3 -0.07 -0.03 0.04 -0.04 1.79 1.69 1gq2G1 LYS 382 HG2 0.06 -0.00 0.02 -0.04 1.46 1.49 1gq2G1 LYS 382 HG3 0.02 0.28 0.10 -0.04 1.46 1.82 1gq2G1 LYS 382 HD2 0.01 -0.11 -0.13 -0.04 1.69 1.41 1gq2G1 LYS 382 HD3 -0.01 -0.08 -0.09 -0.04 1.68 1.46 1gq2G1 LYS 382 HE2 -0.02 0.05 -0.02 -0.04 2.99 2.96 1gq2G1 LYS 382 HE3 0.01 0.02 -0.03 -0.04 2.99 2.96 1gq2G1 ASP 383 H -0.12 0.39 -0.30 -0.55 8.40 7.82 1gq2G1 ASP 383 HA -0.13 0.03 0.53 -0.75 4.63 4.30 1gq2G1 ASP 383 HB2 -0.05 -0.04 0.07 -0.04 2.71 2.65 1gq2G1 ASP 383 HB3 -0.13 0.03 0.18 -0.04 2.70 2.73 1gq2G1 ILE 384 H -0.27 0.58 0.10 -0.55 8.25 8.11 1gq2G1 ILE 384 HA -0.44 0.03 0.42 -0.75 4.18 3.43 1gq2G1 ILE 384 HB -0.33 0.01 -0.01 -0.04 1.89 1.52 1gq2G1 ILE 384 HG12 -0.50 0.07 0.09 -0.04 1.49 1.12 1gq2G1 ILE 384 HG13 -0.67 -0.09 -0.03 -0.04 1.21 0.37 1gq2G1 ILE 384 HG23 -0.78 -0.00 -0.18 -0.04 0.93 -0.08 1gq2G1 ILE 384 HD13 -1.82 -0.01 -0.06 -0.04 0.88 -1.04 1gq2G1 LYS 385 H -0.23 0.39 -0.20 -0.55 8.42 7.83 1gq2G1 LYS 385 HA -0.26 0.05 0.31 -0.75 4.32 3.67 1gq2G1 LYS 385 HB2 -0.26 0.11 -0.22 -0.04 1.87 1.46 1gq2G1 LYS 385 HB3 -0.38 -0.05 0.12 -0.04 1.79 1.45 1gq2G1 LYS 385 HG2 -1.71 -0.07 0.02 -0.04 1.46 -0.34 1gq2G1 LYS 385 HG3 -0.53 0.16 -0.34 -0.04 1.46 0.71 1gq2G1 LYS 385 HD2 -0.29 -0.03 -0.04 -0.04 1.69 1.29 1gq2G1 LYS 385 HD3 -0.45 -0.06 0.01 -0.04 1.68 1.13 1gq2G1 LYS 385 HE2 -0.50 -0.09 0.05 -0.04 2.99 2.41 1gq2G1 LYS 385 HE3 -0.32 0.32 0.12 -0.04 2.99 3.07 1gq2G1 PRO 386 HA 0.07 0.13 0.55 -0.51 4.44 4.68 1gq2G1 PRO 386 HB2 0.01 0.09 0.07 -0.04 2.28 2.41 1gq2G1 PRO 386 HB3 0.01 -0.02 -0.15 -0.04 2.02 1.82 1gq2G1 PRO 386 HG2 0.03 0.01 -0.16 -0.04 2.03 1.86 1gq2G1 PRO 386 HG3 -0.02 -0.08 -0.05 -0.04 2.03 1.83 1gq2G1 PRO 386 HD2 0.27 0.12 0.14 -0.04 3.68 4.18 1gq2G1 PRO 386 HD3 -0.04 -0.00 -0.03 -0.04 3.65 3.53 1gq2G1 THR 387 H 0.09 0.31 0.35 -0.55 8.28 8.48 1gq2G1 THR 387 HA 0.05 0.18 0.64 -0.75 4.39 4.51 1gq2G1 THR 387 HB 0.22 -0.01 0.06 -0.04 4.32 4.55 1gq2G1 THR 387 HG23 0.02 0.05 0.01 -0.04 1.22 1.25 1gq2G1 VAL 388 H 0.00 0.38 0.18 -0.55 8.24 8.25 1gq2G1 VAL 388 HA -0.16 0.29 1.05 -0.75 4.13 4.56 1gq2G1 VAL 388 HB -0.16 -0.07 0.02 -0.04 2.12 1.87 1gq2G1 VAL 388 HG13 -0.44 -0.02 -0.25 -0.04 0.97 0.23 1gq2G1 VAL 388 HG23 -0.21 -0.00 -0.19 -0.04 0.95 0.51 1gq2G1 LEU 389 H -0.18 0.75 0.27 -0.55 8.37 8.66 1gq2G1 LEU 389 HA -0.16 0.26 1.00 -0.75 4.35 4.70 1gq2G1 LEU 389 HB2 -0.21 0.12 -0.04 -0.04 1.64 1.47 1gq2G1 LEU 389 HB3 -0.27 -0.15 0.13 -0.04 1.64 1.31 1gq2G1 LEU 389 HG -0.26 0.08 -0.09 -0.04 1.64 1.33 1gq2G1 LEU 389 HD13 -0.95 -0.02 -0.14 -0.04 0.93 -0.22 1gq2G1 LEU 389 HD23 -0.28 0.01 -0.11 -0.04 0.89 0.47 1gq2G1 ILE 390 H -0.19 0.71 0.28 -0.55 8.25 8.50 1gq2G1 ILE 390 HA 0.16 0.20 1.18 -0.75 4.18 4.97 1gq2G1 ILE 390 HB -0.71 0.02 0.07 -0.04 1.89 1.22 1gq2G1 ILE 390 HG12 -0.18 0.04 -0.17 -0.04 1.49 1.13 1gq2G1 ILE 390 HG13 -0.44 0.00 -0.35 -0.04 1.21 0.38 1gq2G1 ILE 390 HG23 0.22 -0.04 -0.21 -0.04 0.93 0.86 1gq2G1 ILE 390 HD13 -0.31 0.00 -0.16 -0.04 0.88 0.37 1gq2G1 GLY 391 H 0.29 0.89 0.47 -0.55 8.43 9.53 1gq2G1 GLY 391 HA2 0.25 0.13 1.01 -0.51 4.01 4.89 1gq2G1 GLY 391 HA3 -0.04 -0.04 0.50 -0.51 4.01 3.92 1gq2G1 VAL 392 H 0.14 0.83 0.31 -0.55 8.24 8.97 1gq2G1 VAL 392 HA 0.07 0.00 0.64 -0.75 4.13 4.09 1gq2G1 VAL 392 HB 0.10 -0.19 0.17 -0.04 2.12 2.16 1gq2G1 VAL 392 HG13 0.15 0.03 -0.22 -0.04 0.97 0.89 1gq2G1 VAL 392 HG23 0.24 0.03 -0.15 -0.04 0.95 1.03 1gq2G1 ALA 393 H 0.04 0.04 0.16 -0.55 8.40 8.09 1gq2G1 ALA 393 HA 0.05 0.14 0.93 -0.75 4.34 4.70 1gq2G1 ALA 393 HB3 0.06 0.04 -0.11 -0.04 1.41 1.36 1gq2G1 ALA 394 H 0.02 -0.04 0.08 -0.55 8.40 7.91 1gq2G1 ALA 394 HA 0.00 0.09 0.30 -0.75 4.34 3.97 1gq2G1 ALA 394 HB3 0.01 0.06 0.08 -0.04 1.41 1.52 1gq2G1 ILE 395 H -0.01 -0.07 -0.26 -0.55 8.25 7.37 1gq2G1 ILE 395 HA 0.01 0.21 0.91 -0.75 4.18 4.56 1gq2G1 ILE 395 HB 0.02 -0.07 0.09 -0.04 1.89 1.88 1gq2G1 ILE 395 HG12 0.03 -0.03 -0.24 -0.04 1.49 1.21 1gq2G1 ILE 395 HG13 0.04 0.00 -0.06 -0.04 1.21 1.16 1gq2G1 ILE 395 HG23 0.03 -0.01 -0.14 -0.04 0.93 0.77 1gq2G1 ILE 395 HD13 0.02 0.04 -0.08 -0.04 0.88 0.82 1gq2G1 GLY 396 H 0.01 0.20 0.03 -0.55 8.43 8.13 1gq2G1 GLY 396 HA2 0.01 0.21 0.23 -0.51 4.01 3.95 1gq2G1 GLY 396 HA3 0.01 -0.08 0.32 -0.51 4.01 3.76 1gq2G1 GLY 397 H 0.02 0.02 -0.04 -0.55 8.43 7.88 1gq2G1 GLY 397 HA2 0.00 0.47 0.75 -0.51 4.01 4.72 1gq2G1 GLY 397 HA3 0.03 -0.10 0.32 -0.51 4.01 3.75 1gq2G1 ALA 398 H -0.02 0.58 -0.34 -0.55 8.40 8.08 1gq2G1 ALA 398 HA 0.09 -0.07 0.27 -0.75 4.34 3.88 1gq2G1 ALA 398 HB3 0.07 -0.03 0.07 -0.04 1.41 1.48 1gq2G1 PHE 399 H 0.09 0.41 -0.29 -0.55 8.34 7.99 1gq2G1 PHE 399 HA 0.02 0.02 0.58 -0.75 4.62 4.48 1gq2G1 PHE 399 HB2 0.03 0.04 -0.12 -0.04 3.15 3.06 1gq2G1 PHE 399 HB3 0.02 0.05 -0.06 -0.04 3.06 3.03 1gq2G1 PHE 399 HD2 0.07 -0.03 -0.37 -0.04 7.28 6.91 1gq2G1 PHE 399 HE2 0.08 0.03 -0.15 -0.04 7.38 7.30 1gq2G1 PHE 399 HZ 0.05 -0.02 -0.34 -0.04 7.32 6.98 1gq2G1 THR 400 H 0.12 0.25 0.20 -0.55 8.28 8.30 1gq2G1 THR 400 HA 0.07 0.17 0.46 -0.75 4.39 4.34 1gq2G1 THR 400 HB -0.01 -0.11 0.17 -0.04 4.32 4.33 1gq2G1 THR 400 HG23 0.05 0.10 0.05 -0.04 1.22 1.38 1gq2G1 GLN 401 H -0.10 0.15 0.17 -0.55 8.47 8.15 1gq2G1 GLN 401 HA -0.35 0.15 0.39 -0.75 4.36 3.79 1gq2G1 GLN 401 HB2 -0.95 0.03 0.15 -0.04 2.15 1.34 1gq2G1 GLN 401 HB3 -0.35 -0.10 0.17 -0.04 2.02 1.70 1gq2G1 GLN 401 HG2 -0.44 0.03 -0.21 -0.04 2.40 1.74 1gq2G1 GLN 401 HG3 -1.45 0.07 0.03 -0.04 2.39 1.00 1gq2G1 GLN 401 HE21 -0.14 -0.01 -0.01 -0.04 6.97 6.76 1gq2G1 GLN 401 HE22 -0.23 0.06 -0.02 -0.04 7.69 7.46 1gq2G1 GLN 402 H -0.12 0.01 -0.15 -0.55 8.47 7.67 1gq2G1 GLN 402 HA -0.09 0.13 0.35 -0.75 4.36 4.00 1gq2G1 GLN 402 HB2 -0.04 -0.11 0.08 -0.04 2.15 2.04 1gq2G1 GLN 402 HB3 -0.03 0.08 -0.01 -0.04 2.02 2.02 1gq2G1 GLN 402 HG2 -0.04 0.03 0.02 -0.04 2.40 2.37 1gq2G1 GLN 402 HG3 -0.07 0.06 0.03 -0.04 2.39 2.37 1gq2G1 GLN 402 HE21 -0.04 0.00 0.04 -0.04 6.97 6.93 1gq2G1 GLN 402 HE22 -0.03 0.04 0.03 -0.04 7.69 7.68 1gq2G1 ILE 403 H -0.03 -0.06 -0.21 -0.55 8.25 7.40 1gq2G1 ILE 403 HA -0.04 0.04 0.33 -0.75 4.18 3.76 1gq2G1 ILE 403 HB -0.01 0.07 0.07 -0.04 1.89 1.97 1gq2G1 ILE 403 HG12 0.00 -0.15 0.10 -0.04 1.49 1.41 1gq2G1 ILE 403 HG13 0.02 0.08 0.08 -0.04 1.21 1.35 1gq2G1 ILE 403 HG23 -0.20 0.03 -0.23 -0.04 0.93 0.50 1gq2G1 ILE 403 HD13 -0.01 -0.01 -0.02 -0.04 0.88 0.79 1gq2G1 LEU 404 H -0.01 0.59 -0.22 -0.55 8.37 8.18 1gq2G1 LEU 404 HA -0.08 0.02 0.28 -0.75 4.35 3.82 1gq2G1 LEU 404 HB2 0.12 -0.01 0.01 -0.04 1.64 1.71 1gq2G1 LEU 404 HB3 0.05 0.03 -0.15 -0.04 1.64 1.53 1gq2G1 LEU 404 HG 0.08 0.03 -0.25 -0.04 1.64 1.47 1gq2G1 LEU 404 HD13 0.12 -0.04 -0.25 -0.04 0.93 0.72 1gq2G1 LEU 404 HD23 0.02 -0.01 -0.14 -0.04 0.89 0.72 1gq2G1 GLN 405 H -0.05 0.46 -0.18 -0.55 8.47 8.15 1gq2G1 GLN 405 HA -0.03 0.25 0.50 -0.75 4.36 4.33 1gq2G1 GLN 405 HB2 -0.06 0.00 0.18 -0.04 2.15 2.23 1gq2G1 GLN 405 HB3 -0.04 -0.09 0.02 -0.04 2.02 1.87 1gq2G1 GLN 405 HG2 -0.00 0.16 0.13 -0.04 2.40 2.64 1gq2G1 GLN 405 HG3 -0.12 0.30 0.12 -0.04 2.39 2.65 1gq2G1 GLN 405 HE21 -0.09 -0.08 -0.03 -0.04 6.97 6.73 1gq2G1 GLN 405 HE22 -0.09 0.01 0.01 -0.04 7.69 7.58 1gq2G1 ASP 406 H -0.07 0.45 -0.15 -0.55 8.40 8.09 1gq2G1 ASP 406 HA -0.02 -0.04 0.27 -0.75 4.63 4.08 1gq2G1 ASP 406 HB2 -0.03 0.19 0.14 -0.04 2.71 2.98 1gq2G1 ASP 406 HB3 0.33 -0.04 0.07 -0.04 2.70 3.02 1gq2G1 ALA 408 HA -0.12 -0.00 0.30 -0.75 4.34 3.77 1gq2G1 ALA 408 HB3 -0.06 -0.02 0.12 -0.04 1.41 1.41 1gq2G1 ALA 409 H -0.26 0.40 -2.39 -0.55 8.40 5.60 1gq2G1 ALA 409 HA -0.03 -0.01 0.58 -0.75 4.34 4.13 1gq2G1 ALA 409 HB3 0.03 -0.02 0.10 -0.04 1.41 1.48 1gq2G1 PHE 410 H -0.73 0.50 0.21 -0.55 8.34 7.77 1gq2G1 PHE 410 HA -0.02 0.17 0.92 -0.75 4.62 4.94 1gq2G1 PHE 410 HB2 -0.03 0.02 0.14 -0.04 3.15 3.24 1gq2G1 PHE 410 HB3 -0.03 -0.08 0.08 -0.04 3.06 2.99 1gq2G1 PHE 410 HD2 -0.04 -0.02 -0.09 -0.04 7.28 7.10 1gq2G1 PHE 410 HE2 -0.06 -0.09 0.00 -0.04 7.38 7.19 1gq2G1 PHE 410 HZ -0.07 -0.13 -0.17 -0.04 7.32 6.91 1gq2G1 ASN 411 H -0.13 0.31 -0.62 -0.55 8.53 7.56 1gq2G1 ASN 411 HA 0.01 0.09 0.77 -0.75 4.76 4.87 1gq2G1 ASN 411 HB2 -0.12 0.06 -0.12 -0.04 2.88 2.66 1gq2G1 ASN 411 HB3 -0.03 -0.10 -0.25 -0.04 2.79 2.37 1gq2G1 ASN 411 HD21 -0.04 0.49 -0.10 -0.04 7.03 7.34 1gq2G1 ASN 411 HD22 -0.29 -0.03 -0.25 -0.04 7.74 7.13 1gq2G1 LYS 412 H 0.00 0.10 0.04 -0.55 8.42 8.01 1gq2G1 LYS 412 HA -0.00 0.07 0.40 -0.75 4.32 4.03 1gq2G1 LYS 412 HB2 0.01 -0.04 0.13 -0.04 1.87 1.93 1gq2G1 LYS 412 HB3 0.01 0.03 0.06 -0.04 1.79 1.85 1gq2G1 LYS 412 HG2 0.01 -0.00 0.00 -0.04 1.46 1.42 1gq2G1 LYS 412 HG3 0.00 0.03 0.05 -0.04 1.46 1.51 1gq2G1 LYS 412 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 1gq2G1 LYS 412 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 1gq2G1 LYS 412 HE2 0.01 -0.05 0.00 -0.04 2.99 2.91 1gq2G1 LYS 412 HE3 0.00 0.03 0.02 -0.04 2.99 3.01 1gq2G1 ARG 413 H 0.01 0.00 -0.21 -0.55 8.46 7.70 1gq2G1 ARG 413 HA 0.01 0.35 0.74 -0.75 4.34 4.69 1gq2G1 ARG 413 HB2 0.03 -0.12 0.09 -0.04 1.90 1.85 1gq2G1 ARG 413 HB3 0.03 0.11 0.06 -0.04 1.80 1.96 1gq2G1 ARG 413 HG2 0.01 0.30 -0.50 -0.04 1.67 1.44 1gq2G1 ARG 413 HG3 0.02 -0.12 -0.24 -0.04 1.67 1.28 1gq2G1 ARG 413 HD2 0.02 -0.08 -0.05 -0.04 3.22 3.07 1gq2G1 ARG 413 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.11 1gq2G1 PRO 414 HA -0.02 0.14 0.48 -0.51 4.44 4.53 1gq2G1 PRO 414 HB2 -0.09 -0.04 -0.15 -0.04 2.28 1.96 1gq2G1 PRO 414 HB3 -0.12 0.07 -0.05 -0.04 2.02 1.88 1gq2G1 PRO 414 HG2 -0.02 -0.20 -0.03 -0.04 2.03 1.73 1gq2G1 PRO 414 HG3 -0.09 0.21 -0.00 -0.04 2.03 2.11 1gq2G1 PRO 414 HD2 -0.01 0.20 -0.16 -0.04 3.68 3.67 1gq2G1 PRO 414 HD3 -0.05 0.34 -0.22 -0.04 3.65 3.68 1gq2G1 ILE 415 H -0.05 0.56 0.32 -0.55 8.25 8.53 1gq2G1 ILE 415 HA 0.01 0.23 0.93 -0.75 4.18 4.59 1gq2G1 ILE 415 HB -0.22 -0.07 0.25 -0.04 1.89 1.81 1gq2G1 ILE 415 HG12 -0.04 0.03 -0.03 -0.04 1.49 1.40 1gq2G1 ILE 415 HG13 -0.02 0.12 -0.04 -0.04 1.21 1.23 1gq2G1 ILE 415 HG23 -0.49 -0.02 -0.17 -0.04 0.93 0.20 1gq2G1 ILE 415 HD13 -0.20 -0.03 -0.08 -0.04 0.88 0.53 1gq2G1 ILE 416 H 0.16 0.80 0.20 -0.55 8.25 8.86 1gq2G1 ILE 416 HA 0.10 0.17 0.98 -0.75 4.18 4.67 1gq2G1 ILE 416 HB 0.40 -0.06 -0.01 -0.04 1.89 2.18 1gq2G1 ILE 416 HG12 0.06 0.06 -0.43 -0.04 1.49 1.15 1gq2G1 ILE 416 HG13 0.04 -0.02 -0.19 -0.04 1.21 1.00 1gq2G1 ILE 416 HG23 0.36 -0.04 -0.16 -0.04 0.93 1.06 1gq2G1 ILE 416 HD13 -0.07 0.05 -0.26 -0.04 0.88 0.56 1gq2G1 PHE 417 H 0.32 0.74 0.32 -0.55 8.34 9.17 1gq2G1 PHE 417 HA -0.05 0.33 1.05 -0.75 4.62 5.20 1gq2G1 PHE 417 HB2 0.03 0.04 0.20 -0.04 3.15 3.38 1gq2G1 PHE 417 HB3 0.04 -0.13 0.02 -0.04 3.06 2.94 1gq2G1 PHE 417 HD2 0.01 0.13 -0.44 -0.04 7.28 6.94 1gq2G1 PHE 417 HE2 -0.01 0.15 -0.14 -0.04 7.38 7.34 1gq2G1 PHE 417 HZ -0.07 -0.00 -0.31 -0.04 7.32 6.89 1gq2G1 ALA 418 H -0.02 0.75 0.27 -0.55 8.40 8.86 1gq2G1 ALA 418 HA -0.02 -0.00 0.91 -0.75 4.34 4.47 1gq2G1 ALA 418 HB3 0.22 -0.01 0.24 -0.04 1.41 1.82 1gq2G1 LEU 419 H 0.07 0.48 0.15 -0.55 8.37 8.53 1gq2G1 LEU 419 HA -0.01 -0.03 0.70 -0.75 4.35 4.26 1gq2G1 LEU 419 HB2 0.09 0.13 0.11 -0.04 1.64 1.93 1gq2G1 LEU 419 HB3 0.05 -0.05 0.09 -0.04 1.64 1.69 1gq2G1 LEU 419 HG 0.17 0.07 -0.10 -0.04 1.64 1.74 1gq2G1 LEU 419 HD13 0.13 0.00 -0.10 -0.04 0.93 0.92 1gq2G1 LEU 419 HD23 -0.15 0.03 -0.32 -0.04 0.89 0.41 1gq2G1 SER 420 H 0.00 0.04 -0.05 -0.55 8.46 7.90 1gq2G1 SER 420 HA 0.02 -0.01 0.40 -0.75 4.49 4.14 1gq2G1 SER 420 HB2 -0.02 0.17 -0.06 -0.04 3.95 4.00 1gq2G1 SER 420 HB3 -0.00 0.09 -0.10 -0.04 3.93 3.88 1gq2G1 ASN 421 H -0.00 0.09 0.20 -0.55 8.53 8.27 1gq2G1 ASN 421 HA -0.03 0.22 0.68 -0.75 4.76 4.88 1gq2G1 ASN 421 HB2 -0.04 -0.10 0.06 -0.04 2.88 2.76 1gq2G1 ASN 421 HB3 -0.08 -0.06 0.06 -0.04 2.79 2.68 1gq2G1 ASN 421 HD21 0.00 0.09 -0.00 -0.04 7.03 7.08 1gq2G1 ASN 421 HD22 -0.02 -0.13 0.01 -0.04 7.74 7.57 1gq2G1 PRO 422 HA -0.07 0.13 0.33 -0.51 4.44 4.32 1gq2G1 PRO 422 HB2 -0.05 -0.03 0.20 -0.04 2.28 2.36 1gq2G1 PRO 422 HB3 -0.06 0.06 0.17 -0.04 2.02 2.15 1gq2G1 PRO 422 HG2 -0.02 -0.07 -0.08 -0.04 2.03 1.82 1gq2G1 PRO 422 HG3 -0.03 0.13 0.02 -0.04 2.03 2.10 1gq2G1 PRO 422 HD2 -0.02 0.19 0.30 -0.04 3.68 4.12 1gq2G1 PRO 422 HD3 -0.04 0.08 0.08 -0.04 3.65 3.73 1gq2G1 THR 423 H -0.07 0.16 0.14 -0.55 8.28 7.96 1gq2G1 THR 423 HA -0.06 0.13 0.31 -0.75 4.39 4.02 1gq2G1 THR 423 HB -0.05 -0.03 0.07 -0.04 4.32 4.26 1gq2G1 THR 423 HG23 -0.15 0.04 -0.06 -0.04 1.22 1.01 1gq2G1 SER 424 H -0.01 0.03 -0.29 -0.55 8.46 7.64 1gq2G1 SER 424 HA 0.03 0.09 0.28 -0.75 4.49 4.14 1gq2G1 SER 424 HB2 0.02 0.04 0.02 -0.04 3.95 3.98 1gq2G1 SER 424 HB3 0.01 -0.03 0.03 -0.04 3.93 3.90 1gq2G1 LYS 425 H 0.01 0.42 -0.61 -0.55 8.42 7.68 1gq2G1 LYS 425 HA 0.01 0.13 0.55 -0.75 4.32 4.25 1gq2G1 LYS 425 HB2 -0.00 0.03 -0.45 -0.04 1.87 1.41 1gq2G1 LYS 425 HB3 -0.00 -0.21 -0.23 -0.04 1.79 1.31 1gq2G1 LYS 425 HG2 -0.00 0.03 0.00 -0.04 1.46 1.45 1gq2G1 LYS 425 HG3 0.00 0.12 -0.01 -0.04 1.46 1.53 1gq2G1 LYS 425 HD2 0.01 0.07 -0.39 -0.04 1.69 1.33 1gq2G1 LYS 425 HD3 -0.00 -0.12 -0.27 -0.04 1.68 1.25 1gq2G1 LYS 425 HE2 -0.00 0.22 0.02 -0.04 2.99 3.18 1gq2G1 LYS 425 HE3 0.00 0.03 0.04 -0.04 2.99 3.03 1gq2G1 ALA 426 H 0.06 0.43 -0.32 -0.55 8.40 8.02 1gq2G1 ALA 426 HA 0.04 -0.11 0.34 -0.75 4.34 3.86 1gq2G1 ALA 426 HB3 0.26 0.01 0.06 -0.04 1.41 1.70 1gq2G1 GLU 427 H -0.12 -0.09 0.22 -0.55 8.60 8.06 1gq2G1 GLU 427 HA -0.27 0.17 0.42 -0.75 4.29 3.86 1gq2G1 GLU 427 HB2 -0.57 -0.04 0.21 -0.04 2.09 1.65 1gq2G1 GLU 427 HB3 -1.93 -0.01 0.01 -0.04 1.99 0.02 1gq2G1 GLU 427 HG2 -1.14 0.05 0.18 -0.04 2.34 1.38 1gq2G1 GLU 427 HG3 -0.79 0.00 0.12 -0.04 2.34 1.63 1gq2G1 CYS 428 H 0.01 0.18 -0.28 -0.55 8.50 7.86 1gq2G1 CYS 428 HA -0.03 0.09 0.40 -0.75 4.58 4.29 1gq2G1 CYS 428 HB2 -0.05 -0.08 0.11 -0.04 2.97 2.91 1gq2G1 CYS 428 HB3 0.09 0.20 -0.13 -0.04 2.97 3.09 1gq2G1 THR 429 H -0.22 0.08 0.11 -0.55 8.28 7.71 1gq2G1 THR 429 HA -1.06 0.24 0.66 -0.75 4.39 3.48 1gq2G1 THR 429 HB -0.28 -0.14 0.08 -0.04 4.32 3.94 1gq2G1 THR 429 HG23 -0.42 -0.05 0.11 -0.04 1.22 0.82 1gq2G1 ALA 430 H -1.21 0.20 0.14 -0.55 8.40 6.99 1gq2G1 ALA 430 HA -1.25 0.14 0.42 -0.75 4.34 2.89 1gq2G1 ALA 430 HB3 -0.00 0.05 0.06 -0.04 1.41 1.47 1gq2G1 GLU 431 H -0.29 0.07 -0.06 -0.55 8.60 7.78 1gq2G1 GLU 431 HA -0.08 0.14 0.30 -0.75 4.29 3.89 1gq2G1 GLU 431 HB2 -0.16 -0.10 0.04 -0.04 2.09 1.84 1gq2G1 GLU 431 HB3 -0.12 0.06 -0.04 -0.04 1.99 1.85 1gq2G1 GLU 431 HG2 -0.04 -0.01 0.03 -0.04 2.34 2.28 1gq2G1 GLU 431 HG3 -0.03 0.01 0.02 -0.04 2.34 2.29 1gq2G1 GLN 432 H -0.36 -0.02 -0.41 -0.55 8.47 7.14 1gq2G1 GLN 432 HA -0.58 0.07 0.40 -0.75 4.36 3.49 1gq2G1 GLN 432 HB2 -0.28 0.03 0.10 -0.04 2.15 1.95 1gq2G1 GLN 432 HB3 -0.14 0.09 -0.04 -0.04 2.02 1.88 1gq2G1 GLN 432 HG2 -0.09 0.04 0.03 -0.04 2.40 2.34 1gq2G1 GLN 432 HG3 -0.18 -0.07 0.01 -0.04 2.39 2.11 1gq2G1 GLN 432 HE21 0.01 0.06 0.02 -0.04 6.97 7.02 1gq2G1 GLN 432 HE22 0.02 0.01 0.01 -0.04 7.69 7.69 1gq2G1 LEU 433 H -0.60 0.49 -0.17 -0.55 8.37 7.55 1gq2G1 LEU 433 HA -0.24 0.05 0.29 -0.75 4.35 3.69 1gq2G1 LEU 433 HB2 -1.00 0.03 0.03 -0.04 1.64 0.67 1gq2G1 LEU 433 HB3 -1.13 0.07 0.10 -0.04 1.64 0.64 1gq2G1 LEU 433 HG -0.20 -0.03 -0.13 -0.04 1.64 1.24 1gq2G1 LEU 433 HD13 -0.21 -0.01 -0.40 -0.04 0.93 0.27 1gq2G1 LEU 433 HD23 -0.06 -0.00 -0.09 -0.04 0.89 0.70 1gq2G1 TYR 434 H -0.52 0.59 -0.12 -0.55 8.29 7.70 1gq2G1 TYR 434 HA -0.09 0.03 0.35 -0.75 4.56 4.10 1gq2G1 TYR 434 HB2 -0.15 0.03 0.02 -0.04 3.06 2.91 1gq2G1 TYR 434 HB3 -0.09 -0.03 0.03 -0.04 2.98 2.84 1gq2G1 TYR 434 HD2 -0.07 -0.06 -0.10 -0.04 7.15 6.88 1gq2G1 TYR 434 HE2 0.06 0.12 0.02 -0.04 6.85 7.01 1gq2G1 LYS 435 H -0.24 0.31 -0.46 -0.55 8.42 7.47 1gq2G1 LYS 435 HA -0.08 0.07 0.64 -0.75 4.32 4.19 1gq2G1 LYS 435 HB2 -0.24 0.02 0.11 -0.04 1.87 1.72 1gq2G1 LYS 435 HB3 -0.69 0.01 0.23 -0.04 1.79 1.30 1gq2G1 LYS 435 HG2 -0.27 -0.00 -0.23 -0.04 1.46 0.92 1gq2G1 LYS 435 HG3 -0.08 -0.01 0.02 -0.04 1.46 1.34 1gq2G1 LYS 435 HD2 -0.20 0.00 -0.02 -0.04 1.69 1.43 1gq2G1 LYS 435 HD3 -0.25 -0.06 -0.03 -0.04 1.68 1.30 1gq2G1 LYS 435 HE2 0.08 -0.02 -0.02 -0.04 2.99 2.99 1gq2G1 LYS 435 HE3 -0.02 0.03 -0.00 -0.04 2.99 2.96 1gq2G1 TYR 436 H -0.36 0.72 0.11 -0.55 8.29 8.20 1gq2G1 TYR 436 HA -0.03 0.07 0.56 -0.75 4.56 4.41 1gq2G1 TYR 436 HB2 -0.06 0.08 0.03 -0.04 3.06 3.06 1gq2G1 TYR 436 HB3 -0.04 0.04 0.14 -0.04 2.98 3.08 1gq2G1 TYR 436 HD2 -0.04 0.08 -0.11 -0.04 7.15 7.04 1gq2G1 TYR 436 HE2 -0.03 -0.02 -0.00 -0.04 6.85 6.75 1gq2G1 THR 437 H 0.01 0.16 -0.53 -0.55 8.28 7.37 1gq2G1 THR 437 HA 0.01 0.37 0.83 -0.75 4.39 4.84 1gq2G1 THR 437 HB -0.00 0.10 0.13 -0.04 4.32 4.51 1gq2G1 THR 437 HG23 -0.03 0.09 -0.08 -0.04 1.22 1.16 1gq2G1 GLU 438 H 0.03 0.28 -0.32 -0.55 8.60 8.05 1gq2G1 GLU 438 HA 0.01 0.03 0.36 -0.75 4.29 3.94 1gq2G1 GLU 438 HB2 0.01 0.22 -0.10 -0.04 2.09 2.19 1gq2G1 GLU 438 HB3 0.01 -0.06 0.23 -0.04 1.99 2.13 1gq2G1 GLU 438 HG2 0.02 -0.07 0.03 -0.04 2.34 2.28 1gq2G1 GLU 438 HG3 0.02 0.03 -0.16 -0.04 2.34 2.19 1gq2G1 GLY 439 H 0.05 0.34 -0.15 -0.55 8.43 8.12 1gq2G1 GLY 439 HA2 0.08 -0.07 0.36 -0.51 4.01 3.87 1gq2G1 GLY 439 HA3 -0.01 -0.04 0.41 -0.51 4.01 3.87 1gq2G1 ARG 440 H 0.04 0.55 -0.35 -0.55 8.46 8.15 1gq2G1 ARG 440 HA 0.03 0.11 0.82 -0.75 4.34 4.55 1gq2G1 ARG 440 HB2 0.01 0.17 0.15 -0.04 1.90 2.19 1gq2G1 ARG 440 HB3 0.01 0.16 0.27 -0.04 1.80 2.19 1gq2G1 ARG 440 HG2 0.01 -0.10 0.04 -0.04 1.67 1.58 1gq2G1 ARG 440 HG3 0.01 0.06 -0.04 -0.04 1.67 1.67 1gq2G1 ARG 440 HD2 0.00 0.26 0.18 -0.04 3.22 3.61 1gq2G1 ARG 440 HD3 0.00 -0.18 0.06 -0.04 3.22 3.06 1gq2G1 GLY 441 H 0.10 -0.11 -0.12 -0.55 8.43 7.75 1gq2G1 GLY 441 HA2 0.05 0.26 0.46 -0.51 4.01 4.27 1gq2G1 GLY 441 HA3 0.06 -0.10 0.16 -0.51 4.01 3.63 1gq2G1 ILE 442 H 0.09 0.95 0.27 -0.55 8.25 9.02 1gq2G1 ILE 442 HA 0.21 0.10 0.70 -0.75 4.18 4.44 1gq2G1 ILE 442 HB 0.09 -0.09 0.21 -0.04 1.89 2.06 1gq2G1 ILE 442 HG12 0.08 0.00 -0.13 -0.04 1.49 1.41 1gq2G1 ILE 442 HG13 0.07 0.19 -0.11 -0.04 1.21 1.32 1gq2G1 ILE 442 HG23 0.11 -0.02 -0.09 -0.04 0.93 0.89 1gq2G1 ILE 442 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.79 1gq2G1 PHE 443 H 0.38 0.21 0.10 -0.55 8.34 8.48 1gq2G1 PHE 443 HA 0.12 0.36 0.93 -0.75 4.62 5.27 1gq2G1 PHE 443 HB2 -0.33 -0.01 -0.07 -0.04 3.15 2.70 1gq2G1 PHE 443 HB3 -0.16 -0.01 0.04 -0.04 3.06 2.89 1gq2G1 PHE 443 HD2 -0.06 0.05 -0.06 -0.04 7.28 7.17 1gq2G1 PHE 443 HE2 -0.08 -0.11 -0.13 -0.04 7.38 7.02 1gq2G1 PHE 443 HZ -0.10 0.10 -0.08 -0.04 7.32 7.20 1gq2G1 ALA 444 H -1.03 0.40 0.35 -0.55 8.40 7.58 1gq2G1 ALA 444 HA -0.31 0.23 0.55 -0.75 4.34 4.05 1gq2G1 ALA 444 HB3 -0.51 0.00 -0.06 -0.04 1.41 0.80 1gq2G1 SER 445 H -0.24 0.50 0.29 -0.55 8.46 8.47 1gq2G1 SER 445 HA -0.19 0.07 0.53 -0.75 4.49 4.15 1gq2G1 SER 445 HB2 0.22 -0.02 0.23 -0.04 3.95 4.34 1gq2G1 SER 445 HB3 -0.13 -0.04 -0.03 -0.04 3.93 3.69 1gq2G1 GLY 446 H -0.01 0.40 0.33 -0.55 8.43 8.61 1gq2G1 GLY 446 HA2 -0.03 0.24 0.35 -0.51 4.01 4.06 1gq2G1 GLY 446 HA3 -0.01 0.11 0.28 -0.51 4.01 3.88 1gq2G1 SER 447 H -0.01 0.15 -0.08 -0.55 8.46 7.97 1gq2G1 SER 447 HA -0.08 0.16 0.71 -0.75 4.49 4.53 1gq2G1 SER 447 HB2 -0.17 0.05 -0.02 -0.04 3.95 3.78 1gq2G1 SER 447 HB3 -0.23 0.08 -0.01 -0.04 3.93 3.73 1gq2G1 PRO 448 HA -0.01 0.10 0.40 -0.51 4.44 4.43 1gq2G1 PRO 448 HB2 -0.02 0.06 -0.05 -0.04 2.28 2.23 1gq2G1 PRO 448 HB3 0.00 0.04 0.08 -0.04 2.02 2.10 1gq2G1 PRO 448 HG2 -0.11 -0.05 0.12 -0.04 2.03 1.95 1gq2G1 PRO 448 HG3 -0.02 0.14 0.14 -0.04 2.03 2.25 1gq2G1 PRO 448 HD2 -0.12 -0.10 0.10 -0.04 3.68 3.51 1gq2G1 PRO 448 HD3 -0.03 0.19 0.14 -0.04 3.65 3.91 1gq2G1 PHE 449 H 0.18 0.35 0.17 -0.55 8.34 8.49 1gq2G1 PHE 449 HA 0.07 0.08 0.84 -0.75 4.62 4.85 1gq2G1 PHE 449 HB2 0.18 0.08 0.07 -0.04 3.15 3.43 1gq2G1 PHE 449 HB3 0.11 -0.00 0.08 -0.04 3.06 3.20 1gq2G1 PHE 449 HD2 0.14 0.05 0.02 -0.04 7.28 7.45 1gq2G1 PHE 449 HE2 0.11 0.00 0.01 -0.04 7.38 7.46 1gq2G1 PHE 449 HZ 0.07 0.06 -0.05 -0.04 7.32 7.35 1gq2G1 ASP 450 H 0.21 0.02 0.13 -0.55 8.40 8.20 1gq2G1 ASP 450 HA 0.12 0.11 0.45 -0.75 4.63 4.55 1gq2G1 ASP 450 HB2 0.09 -0.04 0.07 -0.04 2.71 2.78 1gq2G1 ASP 450 HB3 0.06 0.09 0.14 -0.04 2.70 2.95 1gq2G1 PRO 451 HA -0.06 0.20 0.58 -0.51 4.44 4.66 1gq2G1 PRO 451 HB2 -0.21 -0.06 -0.02 -0.04 2.28 1.94 1gq2G1 PRO 451 HB3 -0.82 0.12 0.01 -0.04 2.02 1.29 1gq2G1 PRO 451 HG2 0.14 -0.00 0.06 -0.04 2.03 2.19 1gq2G1 PRO 451 HG3 0.23 0.07 0.09 -0.04 2.03 2.37 1gq2G1 PRO 451 HD2 0.04 0.05 0.19 -0.04 3.68 3.93 1gq2G1 PRO 451 HD3 0.10 0.08 0.24 -0.04 3.65 4.04 1gq2G1 VAL 452 H -0.14 0.69 0.36 -0.55 8.24 8.60 1gq2G1 VAL 452 HA -0.05 0.15 1.03 -0.75 4.13 4.51 1gq2G1 VAL 452 HB 0.01 0.02 0.07 -0.04 2.12 2.18 1gq2G1 VAL 452 HG13 -0.00 -0.01 -0.19 -0.04 0.97 0.73 1gq2G1 VAL 452 HG23 0.10 0.01 -0.24 -0.04 0.95 0.77 1gq2G1 THR 453 H -0.07 0.15 0.07 -0.55 8.28 7.89 1gq2G1 THR 453 HA -0.12 0.26 0.86 -0.75 4.39 4.64 1gq2G1 THR 453 HB -0.05 -0.07 0.14 -0.04 4.32 4.30 1gq2G1 THR 453 HG23 -0.05 0.06 -0.24 -0.04 1.22 0.95 1gq2G1 LEU 454 H -0.12 0.59 0.23 -0.55 8.37 8.52 1gq2G1 LEU 454 HA -0.07 0.07 0.34 -0.75 4.35 3.94 1gq2G1 LEU 454 HB2 -0.07 -0.16 0.09 -0.04 1.64 1.46 1gq2G1 LEU 454 HB3 -0.06 0.02 0.13 -0.04 1.64 1.69 1gq2G1 LEU 454 HG -0.19 0.11 0.07 -0.04 1.64 1.59 1gq2G1 LEU 454 HD13 -0.10 0.03 0.04 -0.04 0.93 0.86 1gq2G1 LEU 454 HD23 -0.18 -0.00 -0.01 -0.04 0.89 0.65 1gq2G1 PRO 455 HA -0.02 0.10 0.44 -0.51 4.44 4.45 1gq2G1 PRO 455 HB2 -0.01 0.03 0.05 -0.04 2.28 2.30 1gq2G1 PRO 455 HB3 -0.02 0.01 0.14 -0.04 2.02 2.11 1gq2G1 PRO 455 HG2 -0.02 0.04 0.06 -0.04 2.03 2.07 1gq2G1 PRO 455 HG3 -0.01 0.06 0.08 -0.04 2.03 2.12 1gq2G1 PRO 455 HD2 -0.04 0.13 0.21 -0.04 3.68 3.94 1gq2G1 PRO 455 HD3 -0.03 0.13 0.17 -0.04 3.65 3.88 1gq2G1 SER 456 H -0.03 0.08 -0.44 -0.55 8.46 7.52 1gq2G1 SER 456 HA -0.02 0.11 0.46 -0.75 4.49 4.29 1gq2G1 SER 456 HB2 -0.02 0.02 0.11 -0.04 3.95 4.03 1gq2G1 SER 456 HB3 -0.02 0.04 0.06 -0.04 3.93 3.96 1gq2G1 GLY 457 H -0.03 0.65 -0.49 -0.55 8.43 8.01 1gq2G1 GLY 457 HA2 -0.03 0.02 0.22 -0.51 4.01 3.71 1gq2G1 GLY 457 HA3 -0.02 0.13 0.68 -0.51 4.01 4.29 1gq2G1 GLN 458 H -0.04 -0.01 -0.42 -0.55 8.47 7.45 1gq2G1 GLN 458 HA -0.03 0.06 0.45 -0.75 4.36 4.08 1gq2G1 GLN 458 HB2 -0.06 -0.11 0.06 -0.04 2.15 2.00 1gq2G1 GLN 458 HB3 -0.07 0.10 -0.14 -0.04 2.02 1.86 1gq2G1 GLN 458 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.28 1gq2G1 GLN 458 HG3 -0.03 0.03 -0.01 -0.04 2.39 2.34 1gq2G1 GLN 458 HE21 0.01 0.03 0.02 -0.04 6.97 6.99 1gq2G1 GLN 458 HE22 -0.00 -0.06 -0.00 -0.04 7.69 7.58 1gq2G1 THR 459 H -0.04 0.17 0.20 -0.55 8.28 8.07 1gq2G1 THR 459 HA -0.17 0.23 1.11 -0.75 4.39 4.80 1gq2G1 THR 459 HB -0.09 -0.04 0.13 -0.04 4.32 4.28 1gq2G1 THR 459 HG23 -0.51 -0.01 -0.30 -0.04 1.22 0.35 1gq2G1 LEU 460 H -0.27 0.71 0.40 -0.55 8.37 8.67 1gq2G1 LEU 460 HA -0.07 0.40 0.94 -0.75 4.35 4.87 1gq2G1 LEU 460 HB2 -0.57 -0.14 0.17 -0.04 1.64 1.06 1gq2G1 LEU 460 HB3 -0.27 0.07 0.08 -0.04 1.64 1.48 1gq2G1 LEU 460 HG -0.36 -0.08 -0.04 -0.04 1.64 1.11 1gq2G1 LEU 460 HD13 -0.89 0.00 -0.00 -0.04 0.93 0.01 1gq2G1 LEU 460 HD23 -0.12 0.02 -0.22 -0.04 0.89 0.53 1gq2G1 TYR 461 H 0.21 0.67 0.13 -0.55 8.29 8.76 1gq2G1 TYR 461 HA 0.09 0.10 0.93 -0.75 4.56 4.93 1gq2G1 TYR 461 HB2 0.05 0.00 0.09 -0.04 3.06 3.16 1gq2G1 TYR 461 HB3 0.07 -0.03 0.02 -0.04 2.98 3.00 1gq2G1 TYR 461 HD2 0.03 0.06 -0.01 -0.04 7.15 7.19 1gq2G1 TYR 461 HE2 0.01 0.00 -0.03 -0.04 6.85 6.79 1gq2G1 PRO 462 HA 0.29 0.16 0.40 -0.51 4.44 4.79 1gq2G1 PRO 462 HB2 0.35 0.00 -0.08 -0.04 2.28 2.51 1gq2G1 PRO 462 HB3 0.52 -0.03 0.02 -0.04 2.02 2.49 1gq2G1 PRO 462 HG2 0.29 0.11 -0.01 -0.04 2.03 2.38 1gq2G1 PRO 462 HG3 0.33 -0.04 -0.06 -0.04 2.03 2.22 1gq2G1 PRO 462 HD2 0.17 0.07 0.15 -0.04 3.68 4.02 1gq2G1 PRO 462 HD3 0.31 0.09 -0.06 -0.04 3.65 3.95 1gq2G1 GLY 463 H 0.14 0.25 0.30 -0.55 8.43 8.58 1gq2G1 GLY 463 HA2 0.18 0.12 0.56 -0.51 4.01 4.36 1gq2G1 GLY 463 HA3 0.21 -0.10 0.39 -0.51 4.01 4.00 1gq2G1 GLN 464 H 0.16 0.17 0.09 -0.55 8.47 8.33 1gq2G1 GLN 464 HA -0.00 0.33 0.90 -0.75 4.36 4.83 1gq2G1 GLN 464 HB2 0.11 -0.02 0.04 -0.04 2.15 2.24 1gq2G1 GLN 464 HB3 0.11 -0.09 0.10 -0.04 2.02 2.10 1gq2G1 GLN 464 HG2 0.01 0.20 -0.35 -0.04 2.40 2.23 1gq2G1 GLN 464 HG3 0.04 -0.01 -0.42 -0.04 2.39 1.95 1gq2G1 GLN 464 HE21 0.07 -0.05 0.03 -0.04 6.97 6.99 1gq2G1 GLN 464 HE22 0.02 0.45 0.09 -0.04 7.69 8.21 1gq2G1 GLY 465 H -0.16 0.23 -0.04 -0.55 8.43 7.92 1gq2G1 GLY 465 HA2 -0.91 0.13 0.49 -0.51 4.01 3.21 1gq2G1 GLY 465 HA3 -0.28 -0.02 0.15 -0.51 4.01 3.36 1gq2G1 ASN 466 H -0.12 0.42 0.14 -0.55 8.53 8.43 1gq2G1 ASN 466 HA 0.04 0.12 0.80 -0.75 4.76 4.96 1gq2G1 ASN 466 HB2 0.04 0.31 -0.17 -0.04 2.88 3.02 1gq2G1 ASN 466 HB3 0.08 0.02 -0.01 -0.04 2.79 2.84 1gq2G1 ASN 466 HD21 0.06 -0.14 0.02 -0.04 7.03 6.93 1gq2G1 ASN 466 HD22 0.05 0.40 0.05 -0.04 7.74 8.20 1gq2G1 ASN 467 H 0.18 0.17 0.08 -0.55 8.53 8.41 1gq2G1 ASN 467 HA 0.18 0.12 0.21 -0.75 4.76 4.52 1gq2G1 ASN 467 HB2 0.67 0.04 -0.05 -0.04 2.88 3.50 1gq2G1 ASN 467 HB3 0.69 -0.04 -0.01 -0.04 2.79 3.39 1gq2G1 ASN 467 HD21 0.14 0.01 -0.05 -0.04 7.03 7.09 1gq2G1 ASN 467 HD22 0.18 0.05 -0.26 -0.04 7.74 7.67 1gq2G1 SER 468 H 0.13 0.04 -0.51 -0.55 8.46 7.58 1gq2G1 SER 468 HA -0.83 0.01 0.26 -0.75 4.49 3.18 1gq2G1 SER 468 HB2 -0.32 0.11 -0.10 -0.04 3.95 3.60 1gq2G1 SER 468 HB3 -0.40 0.06 -0.01 -0.04 3.93 3.54 1gq2G1 TYR 469 H -0.01 0.47 -0.34 -0.55 8.29 7.86 1gq2G1 TYR 469 HA -0.18 0.14 0.57 -0.75 4.56 4.34 1gq2G1 TYR 469 HB2 -0.17 0.01 0.05 -0.04 3.06 2.91 1gq2G1 TYR 469 HB3 -0.08 0.02 0.02 -0.04 2.98 2.90 1gq2G1 TYR 469 HD2 -0.18 -0.02 0.07 -0.04 7.15 6.99 1gq2G1 TYR 469 HE2 -0.11 0.10 -0.02 -0.04 6.85 6.78 1gq2G1 VAL 470 H -0.11 0.85 -0.08 -0.55 8.24 8.35 1gq2G1 VAL 470 HA -0.01 0.27 1.03 -0.75 4.13 4.67 1gq2G1 VAL 470 HB 0.15 -0.10 0.18 -0.04 2.12 2.31 1gq2G1 VAL 470 HG13 0.16 -0.01 -0.16 -0.04 0.97 0.93 1gq2G1 VAL 470 HG23 0.10 0.02 -0.16 -0.04 0.95 0.87 1gq2G1 PHE 471 H 0.02 0.23 0.07 -0.55 8.34 8.11 1gq2G1 PHE 471 HA 0.03 0.02 0.27 -0.75 4.62 4.18 1gq2G1 PHE 471 HB2 0.34 0.04 -0.04 -0.04 3.15 3.45 1gq2G1 PHE 471 HB3 0.35 -0.11 0.03 -0.04 3.06 3.29 1gq2G1 PHE 471 HD2 0.04 -0.04 -0.30 -0.04 7.28 6.94 1gq2G1 PHE 471 HE2 0.18 0.01 -0.18 -0.04 7.38 7.36 1gq2G1 PHE 471 HZ -0.09 0.01 -0.06 -0.04 7.32 7.13 1gq2G1 PRO 472 HA -0.35 0.05 0.41 -0.51 4.44 4.04 1gq2G1 PRO 472 HB2 -0.26 0.10 -0.15 -0.04 2.28 1.93 1gq2G1 PRO 472 HB3 -0.21 0.08 -0.07 -0.04 2.02 1.78 1gq2G1 PRO 472 HG2 -0.57 0.26 -0.03 -0.04 2.03 1.65 1gq2G1 PRO 472 HG3 -0.59 -0.07 -0.21 -0.04 2.03 1.12 1gq2G1 PRO 472 HD2 -0.55 0.20 -0.48 -0.04 3.68 2.80 1gq2G1 PRO 472 HD3 -2.03 -0.11 -0.10 -0.04 3.65 1.37 1gq2G1 GLY 473 H -0.18 0.26 -0.28 -0.55 8.43 7.69 1gq2G1 GLY 473 HA2 -0.10 0.13 0.41 -0.51 4.01 3.94 1gq2G1 GLY 473 HA3 -0.09 0.09 0.30 -0.51 4.01 3.80 1gq2G1 VAL 474 H -0.11 0.42 -0.22 -0.55 8.24 7.79 1gq2G1 VAL 474 HA -0.16 0.07 0.39 -0.75 4.13 3.68 1gq2G1 VAL 474 HB -0.12 -0.02 -0.01 -0.04 2.12 1.92 1gq2G1 VAL 474 HG13 -0.43 -0.01 -0.23 -0.04 0.97 0.26 1gq2G1 VAL 474 HG23 -0.23 0.05 -0.13 -0.04 0.95 0.59 1gq2G1 ALA 475 H -0.12 0.53 -0.25 -0.55 8.40 8.02 1gq2G1 ALA 475 HA 0.03 0.02 0.38 -0.75 4.34 4.02 1gq2G1 ALA 475 HB3 -0.25 0.03 0.05 -0.04 1.41 1.20 1gq2G1 LEU 476 H -0.11 0.47 -0.13 -0.55 8.37 8.04 1gq2G1 LEU 476 HA -0.04 0.04 0.27 -0.75 4.35 3.86 1gq2G1 LEU 476 HB2 -0.08 0.12 0.11 -0.04 1.64 1.74 1gq2G1 LEU 476 HB3 -0.06 0.01 -0.02 -0.04 1.64 1.54 1gq2G1 LEU 476 HG -0.05 0.12 -0.16 -0.04 1.64 1.51 1gq2G1 LEU 476 HD13 -0.05 -0.03 -0.10 -0.04 0.93 0.71 1gq2G1 LEU 476 HD23 -0.05 -0.02 -0.07 -0.04 0.89 0.72 1gq2G1 GLY 477 H -0.06 0.39 -0.44 -0.55 8.43 7.77 1gq2G1 GLY 477 HA2 -0.02 0.03 0.43 -0.51 4.01 3.94 1gq2G1 GLY 477 HA3 -0.06 0.04 0.32 -0.51 4.01 3.80 1gq2G1 VAL 478 H -0.05 0.68 -0.01 -0.55 8.24 8.31 1gq2G1 VAL 478 HA -0.04 -0.12 0.34 -0.75 4.13 3.55 1gq2G1 VAL 478 HB 0.03 0.01 0.14 -0.04 2.12 2.25 1gq2G1 VAL 478 HG13 0.03 0.04 -0.16 -0.04 0.97 0.84 1gq2G1 VAL 478 HG23 -0.04 0.04 -0.02 -0.04 0.95 0.89 1gq2G1 ILE 479 H 0.01 0.59 -0.10 -0.55 8.25 8.21 1gq2G1 ILE 479 HA 0.02 0.09 0.31 -0.75 4.18 3.86 1gq2G1 ILE 479 HB 0.02 0.03 0.05 -0.04 1.89 1.94 1gq2G1 ILE 479 HG12 0.05 0.09 0.01 -0.04 1.49 1.60 1gq2G1 ILE 479 HG13 0.05 0.23 0.10 -0.04 1.21 1.55 1gq2G1 ILE 479 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 1gq2G1 ILE 479 HD13 0.08 -0.06 -0.17 -0.04 0.88 0.69 1gq2G1 SER 480 H 0.01 0.44 -0.25 -0.55 8.46 8.12 1gq2G1 SER 480 HA 0.10 0.01 0.35 -0.75 4.49 4.20 1gq2G1 SER 480 HB2 0.05 0.05 0.18 -0.04 3.95 4.19 1gq2G1 SER 480 HB3 0.16 -0.14 0.01 -0.04 3.93 3.91 1gq2G1 CYS 481 H 0.00 0.48 -0.02 -0.55 8.50 8.41 1gq2G1 CYS 481 HA -0.01 0.18 0.91 -0.75 4.58 4.90 1gq2G1 CYS 481 HB2 -0.55 -0.08 0.12 -0.04 2.97 2.41 1gq2G1 CYS 481 HB3 -0.08 -0.05 0.08 -0.04 2.97 2.88 1gq2G1 GLY 482 H -0.03 0.73 -0.00 -0.55 8.43 8.58 1gq2G1 GLY 482 HA2 -0.02 0.19 0.27 -0.51 4.01 3.94 1gq2G1 GLY 482 HA3 -0.04 -0.05 0.54 -0.51 4.01 3.96 1gq2G1 LEU 483 H -0.07 0.11 0.01 -0.55 8.37 7.87 1gq2G1 LEU 483 HA -0.09 0.12 0.27 -0.75 4.35 3.90 1gq2G1 LEU 483 HB2 -0.08 -0.06 -0.02 -0.04 1.64 1.44 1gq2G1 LEU 483 HB3 -0.05 -0.04 0.03 -0.04 1.64 1.54 1gq2G1 LEU 483 HG -0.02 0.06 -0.35 -0.04 1.64 1.30 1gq2G1 LEU 483 HD13 -0.05 0.01 -0.04 -0.04 0.93 0.81 1gq2G1 LEU 483 HD23 -0.06 -0.05 -0.10 -0.04 0.89 0.64 1gq2G1 LYS 484 H -0.06 0.51 0.31 -0.55 8.42 8.63 1gq2G1 LYS 484 HA -0.18 0.12 0.34 -0.75 4.32 3.84 1gq2G1 LYS 484 HB2 -0.05 -0.10 0.13 -0.04 1.87 1.82 1gq2G1 LYS 484 HB3 -0.33 -0.04 -0.01 -0.04 1.79 1.38 1gq2G1 LYS 484 HG2 -0.05 0.07 0.02 -0.04 1.46 1.46 1gq2G1 LYS 484 HG3 -0.01 0.24 0.06 -0.04 1.46 1.70 1gq2G1 LYS 484 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.61 1gq2G1 LYS 484 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 1gq2G1 LYS 484 HE2 0.05 0.08 0.03 -0.04 2.99 3.11 1gq2G1 LYS 484 HE3 0.09 -0.04 0.02 -0.04 2.99 3.02 1gq2G1 HIS 485 H 0.00 0.12 -0.03 -0.55 8.41 7.96 1gq2G1 HIS 485 HA 0.08 0.22 0.77 -0.75 4.63 4.95 1gq2G1 HIS 485 HB2 0.04 -0.14 -0.02 -0.04 3.26 3.10 1gq2G1 HIS 485 HB3 0.06 0.08 0.08 -0.04 3.20 3.37 1gq2G1 HIS 485 HD2 0.02 -0.09 -0.13 -0.04 6.97 6.72 1gq2G1 HIS 485 HE1 -0.02 0.02 -1.05 -0.04 7.75 6.66 1gq2G1 ILE 486 H 0.20 0.32 0.17 -0.55 8.25 8.39 1gq2G1 ILE 486 HA 0.03 0.12 0.93 -0.75 4.18 4.51 1gq2G1 ILE 486 HB 0.22 0.07 0.14 -0.04 1.89 2.28 1gq2G1 ILE 486 HG12 -0.01 0.05 -0.25 -0.04 1.49 1.24 1gq2G1 ILE 486 HG13 0.12 0.05 -0.21 -0.04 1.21 1.13 1gq2G1 ILE 486 HG23 -0.17 -0.02 -0.15 -0.04 0.93 0.54 1gq2G1 ILE 486 HD13 0.12 -0.01 -0.23 -0.04 0.88 0.73 1gq2G1 GLY 487 H 0.05 0.17 0.14 -0.55 8.43 8.24 1gq2G1 GLY 487 HA2 0.12 0.20 0.64 -0.51 4.01 4.47 1gq2G1 GLY 487 HA3 0.08 0.04 0.32 -0.51 4.01 3.94 1gq2G1 ASP 488 H 0.13 0.22 0.15 -0.55 8.40 8.34 1gq2G1 ASP 488 HA 0.36 0.06 0.35 -0.75 4.63 4.64 1gq2G1 ASP 488 HB2 0.10 0.02 0.07 -0.04 2.71 2.86 1gq2G1 ASP 488 HB3 0.12 0.08 -0.00 -0.04 2.70 2.86 1gq2G1 ASP 489 H 0.08 0.08 -0.32 -0.55 8.40 7.69 1gq2G1 ASP 489 HA 0.06 0.11 0.36 -0.75 4.63 4.40 1gq2G1 ASP 489 HB2 0.02 0.07 -0.00 -0.04 2.71 2.76 1gq2G1 ASP 489 HB3 0.04 0.03 0.05 -0.04 2.70 2.78 1gq2G1 VAL 490 H -0.02 0.30 -0.30 -0.55 8.24 7.67 1gq2G1 VAL 490 HA -0.12 0.06 0.34 -0.75 4.13 3.65 1gq2G1 VAL 490 HB -0.34 0.24 0.06 -0.04 2.12 2.04 1gq2G1 VAL 490 HG13 -0.57 -0.00 -0.20 -0.04 0.97 0.16 1gq2G1 VAL 490 HG23 -0.11 -0.01 0.06 -0.04 0.95 0.84 1gq2G1 PHE 491 H 0.05 0.27 -0.28 -0.55 8.34 7.83 1gq2G1 PHE 491 HA -0.03 0.05 0.47 -0.75 4.62 4.36 1gq2G1 PHE 491 HB2 0.01 0.14 0.09 -0.04 3.15 3.35 1gq2G1 PHE 491 HB3 0.01 -0.02 0.01 -0.04 3.06 3.02 1gq2G1 PHE 491 HD2 -0.02 0.02 -0.08 -0.04 7.28 7.16 1gq2G1 PHE 491 HE2 -0.19 0.02 -0.21 -0.04 7.38 6.96 1gq2G1 PHE 491 HZ -0.58 -0.02 -0.16 -0.04 7.32 6.52 1gq2G1 LEU 492 H 0.12 0.41 -0.12 -0.55 8.37 8.24 1gq2G1 LEU 492 HA 0.10 0.07 0.44 -0.75 4.35 4.20 1gq2G1 LEU 492 HB2 0.09 0.03 0.08 -0.04 1.64 1.79 1gq2G1 LEU 492 HB3 0.06 0.03 0.16 -0.04 1.64 1.86 1gq2G1 LEU 492 HG 0.05 -0.05 -0.22 -0.04 1.64 1.38 1gq2G1 LEU 492 HD13 0.07 0.03 0.04 -0.04 0.93 1.02 1gq2G1 LEU 492 HD23 0.05 0.00 -0.04 -0.04 0.89 0.86 1gq2G1 THR 493 H 0.02 0.73 -0.04 -0.55 8.28 8.45 1gq2G1 THR 493 HA 0.02 0.03 0.35 -0.75 4.39 4.04 1gq2G1 THR 493 HB -0.04 0.10 0.11 -0.04 4.32 4.45 1gq2G1 THR 493 HG23 -0.01 -0.01 -0.16 -0.04 1.22 1.00 1gq2G1 THR 494 H -0.03 0.48 -0.27 -0.55 8.28 7.92 1gq2G1 THR 494 HA -0.02 0.01 0.39 -0.75 4.39 4.01 1gq2G1 THR 494 HB 0.02 0.06 0.12 -0.04 4.32 4.47 1gq2G1 THR 494 HG23 -0.01 -0.03 -0.08 -0.04 1.22 1.06 1gq2G1 ALA 495 H 0.06 0.54 -0.27 -0.55 8.40 8.19 1gq2G1 ALA 495 HA 0.08 -0.02 0.36 -0.75 4.34 4.00 1gq2G1 ALA 495 HB3 0.09 0.02 0.09 -0.04 1.41 1.56 1gq2G1 GLU 496 H 0.04 0.42 -0.30 -0.55 8.60 8.21 1gq2G1 GLU 496 HA 0.03 0.04 0.42 -0.75 4.29 4.02 1gq2G1 GLU 496 HB2 0.02 0.09 0.08 -0.04 2.09 2.24 1gq2G1 GLU 496 HB3 0.02 -0.05 0.02 -0.04 1.99 1.94 1gq2G1 GLU 496 HG2 0.03 -0.03 -0.02 -0.04 2.34 2.28 1gq2G1 GLU 496 HG3 0.03 0.39 0.09 -0.04 2.34 2.81 1gq2G1 VAL 497 H 0.01 0.52 -0.09 -0.55 8.24 8.13 1gq2G1 VAL 497 HA 0.01 -0.01 0.35 -0.75 4.13 3.72 1gq2G1 VAL 497 HB 0.00 0.12 0.17 -0.04 2.12 2.38 1gq2G1 VAL 497 HG13 0.00 -0.02 -0.26 -0.04 0.97 0.65 1gq2G1 VAL 497 HG23 -0.00 0.05 -0.01 -0.04 0.95 0.95 1gq2G1 ILE 498 H 0.03 0.56 -0.18 -0.55 8.25 8.11 1gq2G1 ILE 498 HA 0.03 -0.00 0.35 -0.75 4.18 3.80 1gq2G1 ILE 498 HB 0.05 0.12 0.14 -0.04 1.89 2.16 1gq2G1 ILE 498 HG12 0.07 -0.03 -0.00 -0.04 1.49 1.48 1gq2G1 ILE 498 HG13 0.04 0.18 0.03 -0.04 1.21 1.43 1gq2G1 ILE 498 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.75 1gq2G1 ILE 498 HD13 0.08 -0.00 -0.17 -0.04 0.88 0.75 1gq2G1 ALA 499 H 0.02 0.53 -0.04 -0.55 8.40 8.36 1gq2G1 ALA 499 HA -0.03 0.05 0.40 -0.75 4.34 4.00 1gq2G1 ALA 499 HB3 -0.00 0.02 0.11 -0.04 1.41 1.50 1gq2G1 GLN 500 H 0.01 0.58 -0.37 -0.55 8.47 8.14 1gq2G1 GLN 500 HA 0.00 0.02 0.43 -0.75 4.36 4.06 1gq2G1 GLN 500 HB2 0.01 0.21 0.15 -0.04 2.15 2.48 1gq2G1 GLN 500 HB3 0.01 -0.11 0.04 -0.04 2.02 1.91 1gq2G1 GLN 500 HG2 0.01 -0.10 0.03 -0.04 2.40 2.30 1gq2G1 GLN 500 HG3 0.01 -0.01 0.01 -0.04 2.39 2.35 1gq2G1 GLN 500 HE21 0.01 -0.07 -0.11 -0.04 6.97 6.76 1gq2G1 GLN 500 HE22 0.01 -0.04 -0.06 -0.04 7.69 7.57 1gq2G1 GLU 501 H 0.01 0.57 -0.54 -0.55 8.60 8.09 1gq2G1 GLU 501 HA 0.01 0.08 0.76 -0.75 4.29 4.38 1gq2G1 GLU 501 HB2 0.02 0.18 0.13 -0.04 2.09 2.38 1gq2G1 GLU 501 HB3 0.02 -0.16 0.16 -0.04 1.99 1.97 1gq2G1 GLU 501 HG2 0.01 0.21 -0.05 -0.04 2.34 2.48 1gq2G1 GLU 501 HG3 0.02 -0.10 -0.01 -0.04 2.34 2.20 1gq2G1 VAL 502 H -0.01 0.57 -0.33 -0.55 8.24 7.92 1gq2G1 VAL 502 HA -0.01 -0.04 0.65 -0.75 4.13 3.98 1gq2G1 VAL 502 HB -0.03 0.14 0.13 -0.04 2.12 2.31 1gq2G1 VAL 502 HG13 -0.04 -0.01 -0.25 -0.04 0.97 0.63 1gq2G1 VAL 502 HG23 -0.07 0.03 -0.17 -0.04 0.95 0.70 1gq2G1 SER 503 H -0.01 0.06 0.11 -0.55 8.46 8.09 1gq2G1 SER 503 HA -0.00 0.25 0.57 -0.75 4.49 4.56 1gq2G1 SER 503 HB2 -0.00 -0.06 0.16 -0.04 3.95 4.01 1gq2G1 SER 503 HB3 -0.00 0.15 0.08 -0.04 3.93 4.12 1gq2G1 GLU 504 H -0.00 0.18 0.18 -0.55 8.60 8.41 1gq2G1 GLU 504 HA 0.00 0.19 0.42 -0.75 4.29 4.15 1gq2G1 GLU 504 HB2 0.00 0.07 0.15 -0.04 2.09 2.28 1gq2G1 GLU 504 HB3 0.00 -0.09 0.13 -0.04 1.99 1.99 1gq2G1 GLU 504 HG2 0.00 -0.01 0.00 -0.04 2.34 2.30 1gq2G1 GLU 504 HG3 0.00 -0.02 -0.17 -0.04 2.34 2.12 1gq2G1 GLU 505 H -0.00 0.03 -0.14 -0.55 8.60 7.94 1gq2G1 GLU 505 HA 0.00 0.11 0.36 -0.75 4.29 4.00 1gq2G1 GLU 505 HB2 -0.00 -0.00 0.09 -0.04 2.09 2.13 1gq2G1 GLU 505 HB3 -0.01 -0.06 0.05 -0.04 1.99 1.93 1gq2G1 GLU 505 HG2 -0.02 0.04 -0.17 -0.04 2.34 2.15 1gq2G1 GLU 505 HG3 -0.00 0.03 0.02 -0.04 2.34 2.34 1gq2G1 ASN 506 H -0.00 -0.02 -0.35 -0.55 8.53 7.61 1gq2G1 ASN 506 HA -0.01 0.01 0.37 -0.75 4.76 4.38 1gq2G1 ASN 506 HB2 -0.01 0.31 0.12 -0.04 2.88 3.25 1gq2G1 ASN 506 HB3 -0.00 0.13 -0.07 -0.04 2.79 2.80 1gq2G1 ASN 506 HD21 -0.02 -0.01 0.07 -0.04 7.03 7.03 1gq2G1 ASN 506 HD22 -0.02 0.02 0.03 -0.04 7.74 7.72 1gq2G1 LEU 507 H -0.00 0.53 -0.12 -0.55 8.37 8.22 1gq2G1 LEU 507 HA 0.01 0.12 0.34 -0.75 4.35 4.06 1gq2G1 LEU 507 HB2 0.00 0.03 0.14 -0.04 1.64 1.77 1gq2G1 LEU 507 HB3 0.01 0.01 -0.09 -0.04 1.64 1.53 1gq2G1 LEU 507 HG 0.00 -0.02 -0.10 -0.04 1.64 1.48 1gq2G1 LEU 507 HD13 -0.03 0.06 -0.08 -0.04 0.93 0.84 1gq2G1 LEU 507 HD23 -0.00 0.02 -0.09 -0.04 0.89 0.78 1gq2G1 GLN 508 H 0.01 0.47 -0.28 -0.55 8.47 8.12 1gq2G1 GLN 508 HA 0.02 0.04 0.38 -0.75 4.36 4.05 1gq2G1 GLN 508 HB2 0.01 0.10 0.14 -0.04 2.15 2.37 1gq2G1 GLN 508 HB3 0.02 0.05 0.02 -0.04 2.02 2.07 1gq2G1 GLN 508 HG2 0.01 -0.09 0.02 -0.04 2.40 2.29 1gq2G1 GLN 508 HG3 0.01 0.00 0.09 -0.04 2.39 2.46 1gq2G1 GLN 508 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1gq2G1 GLN 508 HE22 0.01 -0.07 -0.04 -0.04 7.69 7.54 1gq2G1 GLU 509 H 0.04 0.46 -0.37 -0.55 8.60 8.19 1gq2G1 GLU 509 HA 0.08 0.16 0.83 -0.75 4.29 4.61 1gq2G1 GLU 509 HB2 0.09 0.12 0.16 -0.04 2.09 2.42 1gq2G1 GLU 509 HB3 0.35 -0.14 0.19 -0.04 1.99 2.35 1gq2G1 GLU 509 HG2 0.13 0.01 0.05 -0.04 2.34 2.49 1gq2G1 GLU 509 HG3 0.04 0.13 0.01 -0.04 2.34 2.49 1gq2G1 GLY 510 H 0.05 0.52 -0.22 -0.55 8.43 8.23 1gq2G1 GLY 510 HA2 0.07 0.11 0.27 -0.51 4.01 3.95 1gq2G1 GLY 510 HA3 0.08 0.03 0.68 -0.51 4.01 4.29 1gq2G1 ARG 511 H 0.06 0.42 -0.03 -0.55 8.46 8.36 1gq2G1 ARG 511 HA 0.09 0.09 0.78 -0.75 4.34 4.54 1gq2G1 ARG 511 HB2 0.03 -0.06 -0.01 -0.04 1.90 1.82 1gq2G1 ARG 511 HB3 0.03 0.14 -0.05 -0.04 1.80 1.88 1gq2G1 ARG 511 HG2 0.11 0.07 -0.02 -0.04 1.67 1.78 1gq2G1 ARG 511 HG3 0.12 0.00 -0.08 -0.04 1.67 1.68 1gq2G1 ARG 511 HD2 -0.01 -0.06 0.06 -0.04 3.22 3.17 1gq2G1 ARG 511 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 1gq2G1 LEU 512 H -0.06 0.11 0.18 -0.55 8.37 8.05 1gq2G1 LEU 512 HA -0.17 0.20 0.62 -0.75 4.35 4.25 1gq2G1 LEU 512 HB2 -0.47 -0.09 0.01 -0.04 1.64 1.05 1gq2G1 LEU 512 HB3 -0.43 0.03 0.13 -0.04 1.64 1.33 1gq2G1 LEU 512 HG -0.00 0.09 -0.13 -0.04 1.64 1.56 1gq2G1 LEU 512 HD13 0.15 0.01 -0.17 -0.04 0.93 0.88 1gq2G1 LEU 512 HD23 -0.03 0.03 -0.21 -0.04 0.89 0.64 1gq2G1 TYR 513 H -0.07 0.07 -0.16 -0.55 8.29 7.58 1gq2G1 TYR 513 HA -0.20 0.27 0.70 -0.75 4.56 4.57 1gq2G1 TYR 513 HB2 -0.28 -0.15 -0.04 -0.04 3.06 2.54 1gq2G1 TYR 513 HB3 -0.89 0.09 -0.02 -0.04 2.98 2.13 1gq2G1 TYR 513 HD2 -0.29 -0.07 -0.19 -0.04 7.15 6.55 1gq2G1 TYR 513 HE2 -0.25 0.02 -0.14 -0.04 6.85 6.44 1gq2G1 PRO 514 HA 0.03 0.03 0.44 -0.51 4.44 4.43 1gq2G1 PRO 514 HB2 0.07 -0.02 -0.02 -0.04 2.28 2.27 1gq2G1 PRO 514 HB3 0.03 0.36 -0.01 -0.04 2.02 2.36 1gq2G1 PRO 514 HG2 0.18 -0.05 -0.06 -0.04 2.03 2.06 1gq2G1 PRO 514 HG3 0.07 0.08 -0.01 -0.04 2.03 2.13 1gq2G1 PRO 514 HD2 -0.10 0.02 0.10 -0.04 3.68 3.65 1gq2G1 PRO 514 HD3 -0.01 0.28 -0.05 -0.04 3.65 3.83 1gq2G1 PRO 515 HA 0.08 0.06 0.45 -0.51 4.44 4.52 1gq2G1 PRO 515 HB2 0.01 -0.08 0.08 -0.04 2.28 2.24 1gq2G1 PRO 515 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 1gq2G1 PRO 515 HG2 -0.02 0.03 0.10 -0.04 2.03 2.09 1gq2G1 PRO 515 HG3 -0.02 0.11 0.12 -0.04 2.03 2.20 1gq2G1 PRO 515 HD2 0.02 0.10 0.20 -0.04 3.68 3.96 1gq2G1 PRO 515 HD3 0.02 0.14 0.28 -0.04 3.65 4.04 1gq2G1 LEU 516 H 0.09 0.18 0.17 -0.55 8.37 8.27 1gq2G1 LEU 516 HA -0.01 0.13 0.37 -0.75 4.35 4.09 1gq2G1 LEU 516 HB2 0.04 0.03 0.17 -0.04 1.64 1.84 1gq2G1 LEU 516 HB3 -0.01 -0.04 -0.04 -0.04 1.64 1.51 1gq2G1 LEU 516 HG -0.09 0.00 -0.08 -0.04 1.64 1.44 1gq2G1 LEU 516 HD13 -0.19 0.01 0.02 -0.04 0.93 0.73 1gq2G1 LEU 516 HD23 0.01 0.01 -0.01 -0.04 0.89 0.85 1gq2G1 VAL 517 H 0.00 0.07 -0.25 -0.55 8.24 7.51 1gq2G1 VAL 517 HA -0.02 0.07 0.39 -0.75 4.13 3.81 1gq2G1 VAL 517 HB -0.02 -0.05 0.09 -0.04 2.12 2.10 1gq2G1 VAL 517 HG13 -0.01 0.00 -0.17 -0.04 0.97 0.74 1gq2G1 VAL 517 HG23 -0.02 0.01 0.08 -0.04 0.95 0.98 1gq2G1 THR 518 H 0.01 0.59 -0.42 -0.55 8.28 7.91 1gq2G1 THR 518 HA -0.01 0.14 0.79 -0.75 4.39 4.56 1gq2G1 THR 518 HB 0.01 -0.05 0.15 -0.04 4.32 4.39 1gq2G1 THR 518 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 1gq2G1 ILE 519 H -0.03 0.56 -0.26 -0.55 8.25 7.97 1gq2G1 ILE 519 HA -0.01 0.00 0.33 -0.75 4.18 3.75 1gq2G1 ILE 519 HB -0.18 0.04 0.18 -0.04 1.89 1.89 1gq2G1 ILE 519 HG12 -0.29 -0.04 -0.03 -0.04 1.49 1.09 1gq2G1 ILE 519 HG13 -0.17 0.06 -0.04 -0.04 1.21 1.01 1gq2G1 ILE 519 HG23 -0.10 0.03 0.03 -0.04 0.93 0.84 1gq2G1 ILE 519 HD13 -0.48 0.00 0.00 -0.04 0.88 0.36 1gq2G1 GLN 520 H -0.04 0.13 -0.27 -0.55 8.47 7.75 1gq2G1 GLN 520 HA -0.06 0.43 0.49 -0.75 4.36 4.47 1gq2G1 GLN 520 HB2 -0.03 -0.07 0.01 -0.04 2.15 2.02 1gq2G1 GLN 520 HB3 -0.03 0.04 -0.02 -0.04 2.02 1.96 1gq2G1 GLN 520 HG2 -0.04 0.15 0.03 -0.04 2.40 2.50 1gq2G1 GLN 520 HG3 -0.03 -0.07 0.08 -0.04 2.39 2.32 1gq2G1 GLN 520 HE21 0.00 -0.08 0.02 -0.04 6.97 6.87 1gq2G1 GLN 520 HE22 -0.01 0.40 0.07 -0.04 7.69 8.11 1gq2G1 GLN 521 H -0.02 0.22 -0.16 -0.55 8.47 7.97 1gq2G1 GLN 521 HA -0.02 0.05 0.51 -0.75 4.36 4.15 1gq2G1 GLN 521 HB2 -0.01 0.08 0.20 -0.04 2.15 2.39 1gq2G1 GLN 521 HB3 -0.00 0.01 -0.02 -0.04 2.02 1.96 1gq2G1 GLN 521 HG2 -0.01 -0.00 0.03 -0.04 2.40 2.37 1gq2G1 GLN 521 HG3 -0.01 -0.02 0.05 -0.04 2.39 2.37 1gq2G1 GLN 521 HE21 -0.00 -0.03 0.01 -0.04 6.97 6.91 1gq2G1 GLN 521 HE22 -0.00 0.02 0.00 -0.04 7.69 7.67 1gq2G1 VAL 522 H 0.00 0.41 -0.14 -0.55 8.24 7.96 1gq2G1 VAL 522 HA 0.01 0.04 0.42 -0.75 4.13 3.85 1gq2G1 VAL 522 HB 0.04 0.12 0.15 -0.04 2.12 2.39 1gq2G1 VAL 522 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.89 1gq2G1 VAL 522 HG23 0.08 0.03 -0.04 -0.04 0.95 0.98 1gq2G1 SER 523 H -0.04 0.66 -0.04 -0.55 8.46 8.50 1gq2G1 SER 523 HA -0.05 -0.07 0.40 -0.75 4.49 4.00 1gq2G1 SER 523 HB2 -0.07 0.25 0.23 -0.04 3.95 4.32 1gq2G1 SER 523 HB3 -0.09 -0.07 -0.03 -0.04 3.93 3.71 1gq2G1 LEU 524 H -0.03 0.49 -0.23 -0.55 8.37 8.05 1gq2G1 LEU 524 HA -0.03 0.05 0.41 -0.75 4.35 4.03 1gq2G1 LEU 524 HB2 -0.03 0.11 0.13 -0.04 1.64 1.81 1gq2G1 LEU 524 HB3 -0.02 0.12 0.16 -0.04 1.64 1.86 1gq2G1 LEU 524 HG -0.01 -0.09 -0.24 -0.04 1.64 1.26 1gq2G1 LEU 524 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.85 1gq2G1 LEU 524 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1gq2G1 LYS 525 H -0.01 0.49 -0.23 -0.55 8.42 8.12 1gq2G1 LYS 525 HA -0.00 -0.07 0.38 -0.75 4.32 3.88 1gq2G1 LYS 525 HB2 -0.00 0.22 0.17 -0.04 1.87 2.23 1gq2G1 LYS 525 HB3 -0.00 -0.07 0.01 -0.04 1.79 1.69 1gq2G1 LYS 525 HG2 -0.00 -0.11 0.03 -0.04 1.46 1.34 1gq2G1 LYS 525 HG3 -0.00 0.21 0.12 -0.04 1.46 1.74 1gq2G1 LYS 525 HD2 0.01 0.04 -0.02 -0.04 1.69 1.67 1gq2G1 LYS 525 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.61 1gq2G1 LYS 525 HE2 0.00 0.01 -0.04 -0.04 2.99 2.93 1gq2G1 LYS 525 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 1gq2G1 ILE 526 H -0.02 0.56 -0.14 -0.55 8.25 8.10 1gq2G1 ILE 526 HA -0.03 -0.02 0.40 -0.75 4.18 3.78 1gq2G1 ILE 526 HB -0.05 0.12 0.14 -0.04 1.89 2.06 1gq2G1 ILE 526 HG12 -0.01 -0.07 0.01 -0.04 1.49 1.38 1gq2G1 ILE 526 HG13 -0.01 0.34 0.00 -0.04 1.21 1.49 1gq2G1 ILE 526 HG23 -0.07 -0.02 -0.20 -0.04 0.93 0.59 1gq2G1 ILE 526 HD13 -0.01 -0.05 -0.00 -0.04 0.88 0.78 1gq2G1 ALA 527 H -0.04 0.69 -0.10 -0.55 8.40 8.40 1gq2G1 ALA 527 HA -0.05 -0.03 0.46 -0.75 4.34 3.97 1gq2G1 ALA 527 HB3 -0.03 0.04 -0.00 -0.04 1.41 1.38 1gq2G1 VAL 528 H -0.01 0.75 -0.03 -0.55 8.24 8.41 1gq2G1 VAL 528 HA 0.04 0.00 0.35 -0.75 4.13 3.76 1gq2G1 VAL 528 HB 0.01 0.11 0.11 -0.04 2.12 2.31 1gq2G1 VAL 528 HG13 0.03 -0.05 -0.14 -0.04 0.97 0.77 1gq2G1 VAL 528 HG23 0.02 0.05 -0.04 -0.04 0.95 0.94 1gq2G1 ARG 529 H -0.01 0.66 -0.18 -0.55 8.46 8.38 1gq2G1 ARG 529 HA 0.01 -0.03 0.41 -0.75 4.34 3.97 1gq2G1 ARG 529 HB2 -0.00 0.06 0.11 -0.04 1.90 2.02 1gq2G1 ARG 529 HB3 -0.02 0.12 0.12 -0.04 1.80 1.98 1gq2G1 ARG 529 HG2 -0.01 0.03 -0.07 -0.04 1.67 1.58 1gq2G1 ARG 529 HG3 -0.01 -0.05 -0.20 -0.04 1.67 1.36 1gq2G1 ARG 529 HD2 0.01 -0.05 0.08 -0.04 3.22 3.21 1gq2G1 ARG 529 HD3 0.00 0.03 0.00 -0.04 3.22 3.21 1gq2G1 ILE 530 H -0.03 0.61 -0.17 -0.55 8.25 8.11 1gq2G1 ILE 530 HA -0.05 -0.05 0.42 -0.75 4.18 3.74 1gq2G1 ILE 530 HB -0.06 0.18 0.19 -0.04 1.89 2.15 1gq2G1 ILE 530 HG12 -0.14 -0.12 0.02 -0.04 1.49 1.22 1gq2G1 ILE 530 HG13 -0.09 0.04 0.05 -0.04 1.21 1.18 1gq2G1 ILE 530 HG23 -0.09 -0.02 -0.23 -0.04 0.93 0.55 1gq2G1 ILE 530 HD13 -0.15 0.01 -0.09 -0.04 0.88 0.61 1gq2G1 ALA 531 H 0.00 0.62 -0.12 -0.55 8.40 8.36 1gq2G1 ALA 531 HA -0.07 0.00 0.41 -0.75 4.34 3.92 1gq2G1 ALA 531 HB3 0.12 0.04 0.09 -0.04 1.41 1.61 1gq2G1 LYS 532 H 0.05 0.59 -0.15 -0.55 8.42 8.36 1gq2G1 LYS 532 HA 0.14 -0.01 0.39 -0.75 4.32 4.08 1gq2G1 LYS 532 HB2 0.03 0.15 0.18 -0.04 1.87 2.19 1gq2G1 LYS 532 HB3 0.04 -0.07 0.02 -0.04 1.79 1.75 1gq2G1 LYS 532 HG2 0.04 -0.10 0.04 -0.04 1.46 1.40 1gq2G1 LYS 532 HG3 0.04 0.43 0.10 -0.04 1.46 2.00 1gq2G1 LYS 532 HD2 0.02 0.02 -0.02 -0.04 1.69 1.66 1gq2G1 LYS 532 HD3 0.02 -0.03 -0.00 -0.04 1.68 1.62 1gq2G1 LYS 532 HE2 0.02 -0.02 -0.13 -0.04 2.99 2.83 1gq2G1 LYS 532 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 1gq2G1 GLU 533 H 0.01 0.54 -0.11 -0.55 8.60 8.50 1gq2G1 GLU 533 HA 0.02 -0.01 0.41 -0.75 4.29 3.96 1gq2G1 GLU 533 HB2 -0.02 0.13 0.14 -0.04 2.09 2.30 1gq2G1 GLU 533 HB3 -0.01 -0.08 -0.01 -0.04 1.99 1.85 1gq2G1 GLU 533 HG2 -0.00 0.29 0.08 -0.04 2.34 2.66 1gq2G1 GLU 533 HG3 -0.01 -0.07 -0.01 -0.04 2.34 2.21 1gq2G1 ALA 534 H -0.05 0.67 -0.15 -0.55 8.40 8.32 1gq2G1 ALA 534 HA -0.06 -0.05 0.30 -0.75 4.34 3.77 1gq2G1 ALA 534 HB3 -0.23 0.05 0.01 -0.04 1.41 1.20 1gq2G1 TYR 535 H -0.01 0.61 -0.13 -0.55 8.29 8.21 1gq2G1 TYR 535 HA 0.05 -0.00 0.49 -0.75 4.56 4.34 1gq2G1 TYR 535 HB2 -0.01 0.11 0.16 -0.04 3.06 3.28 1gq2G1 TYR 535 HB3 0.02 -0.05 0.03 -0.04 2.98 2.93 1gq2G1 TYR 535 HD2 -0.07 0.03 -0.02 -0.04 7.15 7.04 1gq2G1 TYR 535 HE2 -0.59 0.09 0.00 -0.04 6.85 6.31 1gq2G1 ARG 536 H 0.11 0.48 -0.10 -0.55 8.46 8.40 1gq2G1 ARG 536 HA 0.08 -0.01 0.43 -0.75 4.34 4.09 1gq2G1 ARG 536 HB2 0.06 0.04 0.15 -0.04 1.90 2.11 1gq2G1 ARG 536 HB3 0.04 0.08 0.22 -0.04 1.80 2.10 1gq2G1 ARG 536 HG2 0.04 -0.00 -0.15 -0.04 1.67 1.51 1gq2G1 ARG 536 HG3 0.04 -0.05 0.05 -0.04 1.67 1.67 1gq2G1 ARG 536 HD2 0.03 -0.01 -0.02 -0.04 3.22 3.17 1gq2G1 ARG 536 HD3 0.03 -0.05 -0.02 -0.04 3.22 3.14 1gq2G1 ASN 537 H 0.04 0.69 -0.03 -0.55 8.53 8.68 1gq2G1 ASN 537 HA 0.03 0.07 0.58 -0.75 4.76 4.69 1gq2G1 ASN 537 HB2 0.02 0.01 0.01 -0.04 2.88 2.88 1gq2G1 ASN 537 HB3 0.02 -0.04 0.12 -0.04 2.79 2.85 1gq2G1 ASN 537 HD21 0.01 -0.08 -0.03 -0.04 7.03 6.88 1gq2G1 ASN 537 HD22 0.01 -0.01 -0.13 -0.04 7.74 7.57 1gq2G1 ASN 538 H 0.08 0.30 -0.74 -0.55 8.53 7.62 1gq2G1 ASN 538 HA 0.13 0.02 0.35 -0.75 4.76 4.51 1gq2G1 ASN 538 HB2 0.04 0.12 -0.00 -0.04 2.88 3.01 1gq2G1 ASN 538 HB3 0.05 -0.05 0.20 -0.04 2.79 2.95 1gq2G1 ASN 538 HD21 0.04 -0.05 -0.02 -0.04 7.03 6.96 1gq2G1 ASN 538 HD22 0.04 -0.00 -0.21 -0.04 7.74 7.52 1gq2G1 THR 539 H 0.00 0.58 -0.01 -0.55 8.28 8.30 1gq2G1 THR 539 HA 0.03 0.21 0.89 -0.75 4.39 4.76 1gq2G1 THR 539 HB 0.01 -0.10 0.16 -0.04 4.32 4.36 1gq2G1 THR 539 HG23 0.03 0.02 -0.11 -0.04 1.22 1.12 1gq2G1 ALA 540 H -0.06 0.08 -0.13 -0.55 8.40 7.74 1gq2G1 ALA 540 HA -0.21 0.03 0.11 -0.75 4.34 3.51 1gq2G1 ALA 540 HB3 -0.68 -0.02 -0.11 -0.04 1.41 0.56 1gq2G1 SER 541 H -0.17 0.51 0.33 -0.55 8.46 8.58 1gq2G1 SER 541 HA 0.20 0.09 0.75 -0.75 4.49 4.78 1gq2G1 SER 541 HB2 -0.00 0.02 0.15 -0.04 3.95 4.08 1gq2G1 SER 541 HB3 0.05 -0.11 0.08 -0.04 3.93 3.92 1gq2G1 THR 542 H -0.16 0.54 0.26 -0.55 8.28 8.37 1gq2G1 THR 542 HA 0.01 0.05 0.57 -0.75 4.39 4.27 1gq2G1 THR 542 HB -0.06 -0.09 0.28 -0.04 4.32 4.41 1gq2G1 THR 542 HG23 -0.04 0.01 -0.08 -0.04 1.22 1.06 1gq2G1 TYR 543 H 0.11 0.27 0.25 -0.55 8.29 8.36 1gq2G1 TYR 543 HA 0.02 0.08 0.27 -0.75 4.56 4.18 1gq2G1 TYR 543 HB2 0.03 0.07 -0.04 -0.04 3.06 3.07 1gq2G1 TYR 543 HB3 0.01 -0.10 -0.01 -0.04 2.98 2.84 1gq2G1 TYR 543 HD2 0.04 0.01 -0.22 -0.04 7.15 6.94 1gq2G1 TYR 543 HE2 0.09 0.07 -0.26 -0.04 6.85 6.70 1gq2G1 PRO 544 HA 0.26 0.04 0.33 -0.51 4.44 4.55 1gq2G1 PRO 544 HB2 -0.01 0.07 -0.01 -0.04 2.28 2.30 1gq2G1 PRO 544 HB3 0.04 -0.01 0.10 -0.04 2.02 2.10 1gq2G1 PRO 544 HG2 -0.05 0.03 -0.09 -0.04 2.03 1.88 1gq2G1 PRO 544 HG3 -0.01 -0.02 0.04 -0.04 2.03 2.00 1gq2G1 PRO 544 HD2 0.01 0.15 0.32 -0.04 3.68 4.11 1gq2G1 PRO 544 HD3 0.04 0.04 0.22 -0.04 3.65 3.90 1gq2G1 GLN 545 H 0.05 0.05 0.11 -0.55 8.47 8.14 1gq2G1 GLN 545 HA -0.51 0.29 0.60 -0.75 4.36 3.98 1gq2G1 GLN 545 HB2 -0.42 0.02 0.11 -0.04 2.15 1.82 1gq2G1 GLN 545 HB3 -0.25 -0.09 0.10 -0.04 2.02 1.74 1gq2G1 GLN 545 HG2 -0.66 0.19 -0.21 -0.04 2.40 1.68 1gq2G1 GLN 545 HG3 -2.43 0.03 0.05 -0.04 2.39 -0.01 1gq2G1 GLN 545 HE21 -0.12 -0.04 -0.02 -0.04 6.97 6.75 1gq2G1 GLN 545 HE22 -0.56 0.00 -0.01 -0.04 7.69 7.09 1gq2G1 PRO 546 HA -0.21 0.02 0.36 -0.51 4.44 4.10 1gq2G1 PRO 546 HB2 -0.18 -0.10 -0.21 -0.04 2.28 1.76 1gq2G1 PRO 546 HB3 -0.22 -0.02 -0.03 -0.04 2.02 1.71 1gq2G1 PRO 546 HG2 -0.99 0.06 0.02 -0.04 2.03 1.08 1gq2G1 PRO 546 HG3 -0.95 0.13 0.01 -0.04 2.03 1.17 1gq2G1 PRO 546 HD2 -0.49 0.03 0.15 -0.04 3.68 3.33 1gq2G1 PRO 546 HD3 -0.43 0.35 0.26 -0.04 3.65 3.79 1gq2G1 GLU 547 H -0.09 0.12 0.12 -0.55 8.60 8.21 1gq2G1 GLU 547 HA -0.09 0.15 0.45 -0.75 4.29 4.06 1gq2G1 GLU 547 HB2 -0.03 -0.06 0.11 -0.04 2.09 2.07 1gq2G1 GLU 547 HB3 -0.03 -0.01 0.03 -0.04 1.99 1.93 1gq2G1 GLU 547 HG2 -0.06 0.08 0.03 -0.04 2.34 2.35 1gq2G1 GLU 547 HG3 -0.04 0.01 0.07 -0.04 2.34 2.33 1gq2G1 ASP 548 H -0.02 0.10 -0.16 -0.55 8.40 7.77 1gq2G1 ASP 548 HA -0.01 0.22 0.86 -0.75 4.63 4.95 1gq2G1 ASP 548 HB2 0.00 0.08 -0.04 -0.04 2.71 2.71 1gq2G1 ASP 548 HB3 0.02 -0.00 0.16 -0.04 2.70 2.84 1gq2G1 LEU 549 H -0.00 0.32 -0.07 -0.55 8.37 8.06 1gq2G1 LEU 549 HA 0.12 0.10 0.29 -0.75 4.35 4.11 1gq2G1 LEU 549 HB2 0.04 -0.04 0.08 -0.04 1.64 1.68 1gq2G1 LEU 549 HB3 0.10 0.06 -0.01 -0.04 1.64 1.75 1gq2G1 LEU 549 HG -0.05 0.06 -0.02 -0.04 1.64 1.59 1gq2G1 LEU 549 HD13 0.12 0.01 -0.10 -0.04 0.93 0.91 1gq2G1 LEU 549 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.79 1gq2G1 GLU 550 H 0.04 0.08 -0.20 -0.55 8.60 7.97 1gq2G1 GLU 550 HA 0.03 0.14 0.40 -0.75 4.29 4.10 1gq2G1 GLU 550 HB2 0.02 0.02 0.07 -0.04 2.09 2.15 1gq2G1 GLU 550 HB3 0.02 -0.06 0.04 -0.04 1.99 1.95 1gq2G1 GLU 550 HG2 0.00 0.01 -0.20 -0.04 2.34 2.12 1gq2G1 GLU 550 HG3 0.00 0.05 -0.01 -0.04 2.34 2.34 1gq2G1 ALA 551 H 0.04 0.04 -0.18 -0.55 8.40 7.76 1gq2G1 ALA 551 HA 0.01 0.05 0.36 -0.75 4.34 4.01 1gq2G1 ALA 551 HB3 0.04 0.02 0.07 -0.04 1.41 1.49 1gq2G1 PHE 552 H 0.18 0.49 -0.17 -0.55 8.34 8.28 1gq2G1 PHE 552 HA -0.01 0.01 0.34 -0.75 4.62 4.21 1gq2G1 PHE 552 HB2 -0.02 -0.12 0.03 -0.04 3.15 3.01 1gq2G1 PHE 552 HB3 -0.01 0.07 0.13 -0.04 3.06 3.21 1gq2G1 PHE 552 HD2 0.01 -0.06 -0.03 -0.04 7.28 7.15 1gq2G1 PHE 552 HE2 0.01 0.10 -0.03 -0.04 7.38 7.42 1gq2G1 PHE 552 HZ 0.01 0.08 -0.01 -0.04 7.32 7.35 1gq2G1 ILE 553 H 0.07 0.61 -0.05 -0.55 8.25 8.34 1gq2G1 ILE 553 HA -0.34 0.05 0.34 -0.75 4.18 3.48 1gq2G1 ILE 553 HB -0.01 0.02 0.13 -0.04 1.89 1.99 1gq2G1 ILE 553 HG12 0.05 0.02 -0.01 -0.04 1.49 1.52 1gq2G1 ILE 553 HG13 0.17 0.17 0.12 -0.04 1.21 1.63 1gq2G1 ILE 553 HG23 -0.05 -0.00 -0.10 -0.04 0.93 0.74 1gq2G1 ILE 553 HD13 0.06 -0.05 -0.19 -0.04 0.88 0.66 1gq2G1 ARG 554 H -0.05 0.61 -0.18 -0.55 8.46 8.29 1gq2G1 ARG 554 HA -0.06 0.01 0.43 -0.75 4.34 3.97 1gq2G1 ARG 554 HB2 -0.03 0.08 0.18 -0.04 1.90 2.09 1gq2G1 ARG 554 HB3 -0.04 -0.05 -0.01 -0.04 1.80 1.66 1gq2G1 ARG 554 HG2 -0.03 -0.01 0.04 -0.04 1.67 1.63 1gq2G1 ARG 554 HG3 -0.02 0.04 0.02 -0.04 1.67 1.66 1gq2G1 ARG 554 HD2 -0.01 -0.05 -0.09 -0.04 3.22 3.03 1gq2G1 ARG 554 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 1gq2G1 SER 555 H -0.12 0.53 -0.19 -0.55 8.46 8.13 1gq2G1 SER 555 HA -0.07 -0.01 0.46 -0.75 4.49 4.13 1gq2G1 SER 555 HB2 -0.04 -0.11 0.12 -0.04 3.95 3.87 1gq2G1 SER 555 HB3 -0.04 -0.03 0.12 -0.04 3.93 3.94 1gq2G1 GLN 556 H -0.23 0.33 -0.44 -0.55 8.47 7.58 1gq2G1 GLN 556 HA -0.14 0.05 0.64 -0.75 4.36 4.16 1gq2G1 GLN 556 HB2 -0.49 0.03 0.10 -0.04 2.15 1.76 1gq2G1 GLN 556 HB3 -0.19 -0.00 -0.02 -0.04 2.02 1.76 1gq2G1 GLN 556 HG2 -0.27 -0.01 -0.02 -0.04 2.40 2.06 1gq2G1 GLN 556 HG3 -0.12 -0.04 0.05 -0.04 2.39 2.24 1gq2G1 GLN 556 HE21 0.03 -0.06 -0.04 -0.04 6.97 6.86 1gq2G1 GLN 556 HE22 -0.00 0.01 -0.02 -0.04 7.69 7.64 1gq2G1 VAL 557 H -0.09 0.22 -0.22 -0.55 8.24 7.60 1gq2G1 VAL 557 HA -0.01 0.14 0.48 -0.75 4.13 3.99 1gq2G1 VAL 557 HB -0.04 0.01 0.07 -0.04 2.12 2.12 1gq2G1 VAL 557 HG13 -0.01 0.01 0.11 -0.04 0.97 1.05 1gq2G1 VAL 557 HG23 -0.06 -0.00 0.14 -0.04 0.95 0.99 1gq2G1 TYR 558 H 0.11 0.51 0.24 -0.55 8.29 8.60 1gq2G1 TYR 558 HA -0.04 0.04 0.45 -0.75 4.56 4.26 1gq2G1 TYR 558 HB2 -0.05 -0.02 -0.31 -0.04 3.06 2.64 1gq2G1 TYR 558 HB3 -0.08 -0.04 -0.12 -0.04 2.98 2.70 1gq2G1 TYR 558 HD2 -0.06 -0.03 -0.15 -0.04 7.15 6.87 1gq2G1 TYR 558 HE2 0.02 -0.07 -0.09 -0.04 6.85 6.67 1gq2G1 SER 559 H -0.59 0.18 0.18 -0.55 8.46 7.68 1gq2G1 SER 559 HA -0.25 0.18 1.00 -0.75 4.49 4.67 1gq2G1 SER 559 HB2 -0.17 0.13 0.00 -0.04 3.95 3.87 1gq2G1 SER 559 HB3 -0.25 0.05 0.10 -0.04 3.93 3.79 1gq2G1 THR 560 H -0.20 0.15 0.10 -0.55 8.28 7.79 1gq2G1 THR 560 HA -0.20 0.18 0.59 -0.75 4.39 4.20 1gq2G1 THR 560 HB 0.01 0.07 -0.04 -0.04 4.32 4.31 1gq2G1 THR 560 HG23 -0.08 -0.02 -0.08 -0.04 1.22 1.00 1gq2G1 ASP 561 H -0.19 -0.01 -0.24 -0.55 8.40 7.41 1gq2G1 ASP 561 HA -0.21 -0.03 0.44 -0.75 4.63 4.08 1gq2G1 ASP 561 HB2 -0.11 0.03 -0.00 -0.04 2.71 2.59 1gq2G1 ASP 561 HB3 -0.06 0.09 0.02 -0.04 2.70 2.71 1gq2G1 TYR 562 H -0.08 -0.02 0.16 -0.55 8.29 7.79 1gq2G1 TYR 562 HA -0.03 0.15 0.52 -0.75 4.56 4.45 1gq2G1 TYR 562 HB2 -0.02 -0.12 0.09 -0.04 3.06 2.98 1gq2G1 TYR 562 HB3 0.01 0.15 0.05 -0.04 2.98 3.14 1gq2G1 TYR 562 HD2 -0.04 0.00 0.04 -0.04 7.15 7.11 1gq2G1 TYR 562 HE2 -0.05 -0.05 0.01 -0.04 6.85 6.72 1gq2G1 ASN 563 H 0.15 0.17 0.16 -0.55 8.53 8.47 1gq2G1 ASN 563 HA -0.03 0.13 0.70 -0.75 4.76 4.81 1gq2G1 ASN 563 HB2 -0.31 0.03 0.02 -0.04 2.88 2.58 1gq2G1 ASN 563 HB3 -0.24 0.02 0.04 -0.04 2.79 2.57 1gq2G1 ASN 563 HD21 -0.08 0.04 0.01 -0.04 7.03 6.96 1gq2G1 ASN 563 HD22 -0.11 0.03 0.04 -0.04 7.74 7.66 1gq2G1 CYS 564 H -0.06 0.18 0.13 -0.55 8.50 8.20 1gq2G1 CYS 564 HA 0.13 0.07 0.78 -0.75 4.58 4.81 1gq2G1 CYS 564 HB2 0.03 0.02 0.07 -0.04 2.97 3.05 1gq2G1 CYS 564 HB3 -0.01 0.07 0.17 -0.04 2.97 3.17 1gq2G1 PHE 565 H 0.45 0.10 0.14 -0.55 8.34 8.48 1gq2G1 PHE 565 HA 0.05 0.26 0.62 -0.75 4.62 4.79 1gq2G1 PHE 565 HB2 0.17 -0.13 0.07 -0.04 3.15 3.22 1gq2G1 PHE 565 HB3 0.06 0.07 0.13 -0.04 3.06 3.28 1gq2G1 PHE 565 HD2 0.09 0.01 0.01 -0.04 7.28 7.35 1gq2G1 PHE 565 HE2 -0.01 0.01 -0.00 -0.04 7.38 7.33 1gq2G1 PHE 565 HZ -0.01 0.11 0.08 -0.04 7.32 7.45 1gq2G1 VAL 566 H 0.11 -0.04 -0.32 -0.55 8.24 7.43 1gq2G1 VAL 566 HA 0.06 0.03 0.41 -0.75 4.13 3.87 1gq2G1 VAL 566 HB 0.04 0.00 -0.01 -0.04 2.12 2.12 1gq2G1 VAL 566 HG13 0.02 0.06 -0.12 -0.04 0.97 0.89 1gq2G1 VAL 566 HG23 0.05 -0.03 -0.06 -0.04 0.95 0.86 1gq2G1 ALA 567 H 0.02 0.04 0.15 -0.55 8.40 8.06 1gq2G1 ALA 567 HA 0.02 0.12 0.41 -0.75 4.34 4.14 1gq2G1 ALA 567 HB3 -0.00 0.01 0.05 -0.04 1.41 1.42 1gq2G1 ASP 568 H 0.03 0.16 0.11 -0.55 8.40 8.16 1gq2G1 ASP 568 HA 0.06 0.07 0.46 -0.75 4.63 4.48 1gq2G1 ASP 568 HB2 0.05 0.05 0.12 -0.04 2.71 2.90 1gq2G1 ASP 568 HB3 0.09 -0.02 0.21 -0.04 2.70 2.94 1gq2G1 SER 569 H 0.05 0.33 0.23 -0.55 8.46 8.52 1gq2G1 SER 569 HA -0.08 0.16 0.81 -0.75 4.49 4.62 1gq2G1 SER 569 HB2 -0.07 -0.01 0.03 -0.04 3.95 3.86 1gq2G1 SER 569 HB3 -0.03 0.01 -0.03 -0.04 3.93 3.84 1gq2G1 TYR 570 H -0.32 0.39 0.24 -0.55 8.29 8.05 1gq2G1 TYR 570 HA 0.01 0.04 0.49 -0.75 4.56 4.35 1gq2G1 TYR 570 HB2 0.05 -0.03 0.11 -0.04 3.06 3.15 1gq2G1 TYR 570 HB3 0.03 0.12 -0.13 -0.04 2.98 2.95 1gq2G1 TYR 570 HD2 0.11 0.11 -0.34 -0.04 7.15 6.98 1gq2G1 TYR 570 HE2 0.28 0.01 -0.08 -0.04 6.85 7.02 1gq2G1 THR 571 H 0.20 0.12 0.15 -0.55 8.28 8.20 1gq2G1 THR 571 HA -0.08 0.20 0.94 -0.75 4.39 4.70 1gq2G1 THR 571 HB 0.03 -0.06 -0.00 -0.04 4.32 4.25 1gq2G1 THR 571 HG23 0.11 -0.02 -0.07 -0.04 1.22 1.20 1gq2G1 TRP 572 H 0.15 0.17 0.21 -0.55 7.97 7.96 1gq2G1 TRP 572 HA 0.07 0.12 0.76 -0.75 4.62 4.83 1gq2G1 TRP 572 HB2 -0.00 0.04 0.07 -0.04 3.23 3.30 1gq2G1 TRP 572 HB3 0.02 -0.05 0.10 -0.04 3.23 3.26 1gq2G1 TRP 572 HD1 0.18 0.10 -0.26 -0.04 7.22 7.20 1gq2G1 TRP 572 HE1 0.22 -0.00 -0.06 -0.04 10.20 10.32 1gq2G1 TRP 572 HE3 0.00 0.08 0.00 -0.04 7.59 7.63 1gq2G1 TRP 572 HZ2 0.04 -0.01 -0.01 -0.04 7.44 7.42 1gq2G1 TRP 572 HZ3 -0.00 0.06 0.02 -0.04 7.13 7.17 1gq2G1 TRP 572 HH2 0.01 -0.02 0.00 -0.04 7.19 7.14 1gq2G1 PRO 573 HA 0.09 0.09 0.37 -0.51 4.44 4.47 1gq2G1 PRO 573 HB2 0.06 -0.15 0.08 -0.04 2.28 2.23 1gq2G1 PRO 573 HB3 0.04 -0.01 0.20 -0.04 2.02 2.20 1gq2G1 PRO 573 HG2 -0.02 0.05 0.09 -0.04 2.03 2.11 1gq2G1 PRO 573 HG3 0.03 0.07 0.09 -0.04 2.03 2.18 1gq2G1 PRO 573 HD2 0.02 0.11 0.18 -0.04 3.68 3.94 1gq2G1 PRO 573 HD3 0.05 0.18 0.18 -0.04 3.65 4.02 1gq2G1 GLU 574 H 0.05 0.01 0.18 -0.55 8.60 8.30 1gq2G1 GLU 574 HA 0.07 0.36 0.94 -0.75 4.29 4.90 1gq2G1 GLU 574 HB2 0.04 0.01 0.03 -0.04 2.09 2.13 1gq2G1 GLU 574 HB3 0.03 -0.07 0.11 -0.04 1.99 2.02 1gq2G1 GLU 574 HG2 0.02 -0.04 -0.00 -0.04 2.34 2.28 1gq2G1 GLU 574 HG3 0.03 0.03 -0.09 -0.04 2.34 2.27 1gq2G1 GLU 575 H 0.05 -0.07 0.12 -0.55 8.60 8.15 1gq2G1 GLU 575 HA 0.04 0.11 0.45 -0.75 4.29 4.13 1gq2G1 GLU 575 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 1gq2G1 GLU 575 HB3 0.02 -0.08 0.14 -0.04 1.99 2.04 1gq2G1 GLU 575 HG2 0.03 0.14 -0.25 -0.04 2.34 2.22 1gq2G1 GLU 575 HG3 0.02 0.03 -0.17 -0.04 2.34 2.18 1gq2G1 ALA 576 H 0.08 -0.11 -0.28 -0.55 8.40 7.54 1gq2G1 ALA 576 HA 0.09 0.10 0.20 -0.75 4.34 3.98 1gq2G1 ALA 576 HB3 0.07 -0.01 0.01 -0.04 1.41 1.45 1gq2G1 LYS 578 HA 0.03 -0.13 0.30 -0.75 4.32 3.77 1gq2G1 LYS 578 HB2 0.03 -0.10 -0.00 -0.04 1.87 1.75 1gq2G1 LYS 578 HB3 0.04 0.07 0.18 -0.04 1.79 2.04 1gq2G1 LYS 578 HG2 0.06 0.03 -0.18 -0.04 1.46 1.33 1gq2G1 LYS 578 HG3 0.03 -0.13 -0.44 -0.04 1.46 0.88 1gq2G1 LYS 578 HD2 0.03 -0.09 -0.05 -0.04 1.69 1.54 1gq2G1 LYS 578 HD3 0.04 0.09 -0.03 -0.04 1.68 1.74 1gq2G1 LYS 578 HE2 0.02 -0.05 -0.12 -0.04 2.99 2.80 1gq2G1 LYS 578 HE3 0.02 -0.05 -0.07 -0.04 2.99 2.85 1gq2G1 VAL 579 H 0.01 0.11 0.13 -0.55 8.24 7.94 1gq2G1 VAL 579 HA 0.01 0.16 0.88 -0.75 4.13 4.43 1gq2G1 VAL 579 HB -0.00 -0.02 0.13 -0.04 2.12 2.19 1gq2G1 VAL 579 HG13 -0.00 -0.00 -0.03 -0.04 0.97 0.89 1gq2G1 VAL 579 HG23 -0.01 0.01 -0.04 -0.04 0.95 0.88 1gq2G1 LYS 580 H 0.01 0.16 0.06 -0.55 8.42 8.09 1gq2G1 LYS 580 HA 0.01 0.26 0.83 -0.75 4.32 4.67 1gq2G1 LYS 580 HB2 0.02 0.05 -0.08 -0.04 1.87 1.82 1gq2G1 LYS 580 HB3 0.02 0.03 0.06 -0.04 1.79 1.85 1gq2G1 LYS 580 HG2 0.01 -0.01 0.01 -0.04 1.46 1.43 1gq2G1 LYS 580 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 1gq2G1 LYS 580 HD2 0.01 -0.03 0.03 -0.04 1.69 1.65 1gq2G1 LYS 580 HD3 0.01 0.04 0.09 -0.04 1.68 1.78 1gq2G1 LYS 580 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 1gq2G1 LYS 580 HE3 0.01 -0.02 0.02 -0.04 2.99 2.95