============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. HIS 10 0.900 10.802 5.250 -17.820 -99.200 -91.000 PHE 17 1.000 7.201 6.162 -40.808 -99.200 -91.000 PHE 23 1.000 2.434 19.386 -45.999 -99.200 -91.000 PHE 30 1.000 6.395 7.252 -32.391 -99.200 -91.000 PHE 35 1.000 2.495 12.314 -18.356 -99.200 -91.000 PHE 45 1.000 -7.734 12.136 -4.008 -99.200 -91.000 TRP 54 1.040 8.223 -0.066 -22.829 -99.200 -91.000 TRP6 54 1.020 7.715 2.129 -22.098 -99.200 -91.000 PHE 56 1.000 9.559 -8.778 -24.528 -99.200 -91.000 TYR 63 0.840 -6.668 8.048 -31.469 -99.200 -91.000 PHE 81 1.000 -13.053 23.801 -27.314 -99.200 -91.000 TYR 98 0.840 -1.589 5.947 -20.876 -99.200 -91.000 TYR 102 0.840 -0.431 13.642 -33.277 -99.200 -91.000 TRP 118 1.040 -3.427 21.262 -27.051 -99.200 -91.000 TRP6 118 1.020 -3.849 23.550 -27.420 -99.200 -91.000 HIS 120 0.900 -7.198 18.288 -21.791 -99.200 -91.000 TYR 132 0.840 -7.478 19.855 -28.255 -99.200 -91.000 HIS 140 0.900 0.631 23.383 -43.986 -99.200 -91.000 TYR 150 0.840 -4.632 18.855 -17.686 -99.200 -91.000 TRP 155 1.040 -10.294 10.244 -9.779 -99.200 -91.000 TRP6 155 1.020 -12.408 10.976 -10.585 -99.200 -91.000 PHE 157 1.000 -6.450 20.303 -11.134 -99.200 -91.000 PHE 158 1.000 -10.141 16.215 -1.305 -99.200 -91.000 HIS 164 0.900 -2.649 15.273 6.980 -99.200 -91.000 TRP 169 1.040 -3.656 15.896 -6.086 -99.200 -91.000 TRP6 169 1.020 -1.861 15.995 -4.541 -99.200 -91.000 HIS 171 0.900 -2.118 23.415 -12.478 -99.200 -91.000 TRP 180 1.040 8.333 10.421 -21.330 -99.200 -91.000 TRP6 180 1.020 8.262 10.815 -23.660 -99.200 -91.000 PHE 188 1.000 9.377 9.675 -29.493 -99.200 -91.000 PHE 198 1.000 0.596 24.598 -28.770 -99.200 -91.000 PHE 220 1.000 7.941 27.119 -19.294 -99.200 -91.000 HIS 221 0.900 13.982 25.880 -23.669 -99.200 -91.000 HIS 264 0.900 -7.549 5.297 4.974 -99.200 -91.000 PHE 283 1.000 -17.400 19.677 -8.792 -99.200 -91.000 PHE 321 1.000 8.620 35.231 -13.047 -99.200 -91.000 HIS 322 0.900 14.759 30.419 -16.938 -99.200 -91.000 TYR 326 0.840 2.616 33.991 -20.788 -99.200 -91.000 PHE 335 1.000 -20.195 33.884 -20.146 -99.200 -91.000 TRP 337 1.040 -23.854 29.199 -28.870 -99.200 -91.000 TRP6 337 1.020 -22.845 27.078 -29.174 -99.200 -91.000 TYR 345 0.840 -24.387 33.072 -17.525 -99.200 -91.000 TRP 362 1.040 -25.877 38.152 -5.887 -99.200 -91.000 TRP6 362 1.020 -23.759 38.408 -4.882 -99.200 -91.000 TYR 365 0.840 -18.677 36.669 -5.243 -99.200 -91.000 TYR 382 0.840 -18.232 46.269 -19.421 -99.200 -91.000 PHE 396 1.000 -24.840 40.060 -18.114 -99.200 -91.000 PHE 405 1.000 -11.932 33.453 -20.802 -99.200 -91.000 HIS 416 0.900 6.622 37.194 -19.728 -99.200 -91.000 TYR 424 0.840 6.127 38.901 -29.712 -99.200 -91.000 TYR 426 0.840 -3.867 35.297 -29.743 -99.200 -91.000 PHE 428 1.000 -9.218 33.353 -34.355 -99.200 -91.000 TYR 430 0.840 -12.373 33.131 -40.007 -99.200 -91.000 PHE 434 1.000 -13.169 23.710 -39.947 -99.200 -91.000 HIS 447 0.900 -12.925 29.745 -24.361 -99.200 -91.000 PHE 452 1.000 -12.920 24.592 -34.874 -99.200 -91.000 PHE 455 1.000 -3.914 21.985 -31.857 -99.200 -91.000 PHE 459 1.000 -4.204 23.117 -44.155 -99.200 -91.000 PHE 478 1.000 1.639 35.921 -37.684 -99.200 -91.000 TRP 479 1.040 -0.156 29.487 -31.918 -99.200 -91.000 TRP6 479 1.020 -1.146 31.579 -32.369 -99.200 -91.000 PHE 482 1.000 6.241 32.958 -28.873 -99.200 -91.000 HIS 495 0.900 6.502 43.981 -37.385 -99.200 -91.000 TRP 496 1.040 1.936 39.605 -32.812 -99.200 -91.000 TRP6 496 1.020 1.120 37.386 -32.882 -99.200 -91.000 TYR 499 0.840 1.065 44.377 -24.277 -99.200 -91.000 TYR 505 0.840 -4.487 44.777 -29.951 -99.200 -91.000 PHE 525 1.000 -15.629 49.843 -14.620 -99.200 -91.000 TRP 526 1.040 -13.681 45.393 -15.386 -99.200 -91.000 TRP6 526 1.020 -15.606 44.841 -14.133 -99.200 -91.000 PHE 530 1.000 -12.962 43.137 -9.681 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mx9B1 SER 2021 HA -0.00 -0.07 0.20 -0.75 4.49 3.87 1mx9B1 SER 2021 HB2 -0.04 -0.03 0.04 -0.04 3.95 3.88 1mx9B1 SER 2021 HB3 -0.01 0.00 0.04 -0.04 3.93 3.93 1mx9B1 SER 2022 H 0.12 0.26 0.04 -0.55 8.46 8.33 1mx9B1 SER 2022 HA 0.07 0.05 0.47 -0.75 4.49 4.33 1mx9B1 SER 2022 HB2 0.05 0.10 -0.14 -0.04 3.95 3.92 1mx9B1 SER 2022 HB3 0.08 -0.05 -0.08 -0.04 3.93 3.84 1mx9B1 PRO 2023 HA -0.03 -0.02 0.38 -0.51 4.44 4.26 1mx9B1 PRO 2023 HB2 -0.02 -0.01 -0.00 -0.04 2.28 2.20 1mx9B1 PRO 2023 HB3 -0.08 0.24 0.12 -0.04 2.02 2.26 1mx9B1 PRO 2023 HG2 -0.00 0.01 0.08 -0.04 2.03 2.08 1mx9B1 PRO 2023 HG3 0.01 0.01 0.12 -0.04 2.03 2.14 1mx9B1 PRO 2023 HD2 0.03 0.09 0.15 -0.04 3.68 3.91 1mx9B1 PRO 2023 HD3 0.05 0.12 0.19 -0.04 3.65 3.97 1mx9B1 PRO 2024 HA -0.02 0.12 0.51 -0.51 4.44 4.53 1mx9B1 PRO 2024 HB2 -0.29 -0.04 -0.09 -0.04 2.28 1.82 1mx9B1 PRO 2024 HB3 -0.20 0.06 0.02 -0.04 2.02 1.86 1mx9B1 PRO 2024 HG2 -1.15 -0.01 -0.12 -0.04 2.03 0.71 1mx9B1 PRO 2024 HG3 -2.57 0.10 -0.02 -0.04 2.03 -0.50 1mx9B1 PRO 2024 HD2 -0.52 0.03 -0.31 -0.04 3.68 2.84 1mx9B1 PRO 2024 HD3 -0.61 0.01 0.09 -0.04 3.65 3.10 1mx9B1 VAL 2025 H 0.05 0.23 0.14 -0.55 8.24 8.12 1mx9B1 VAL 2025 HA 0.13 0.37 1.02 -0.75 4.13 4.90 1mx9B1 VAL 2025 HB 0.06 -0.04 0.11 -0.04 2.12 2.21 1mx9B1 VAL 2025 HG13 0.09 -0.01 -0.18 -0.04 0.97 0.83 1mx9B1 VAL 2025 HG23 0.05 0.02 -0.25 -0.04 0.95 0.73 1mx9B1 VAL 2026 H 0.17 0.47 0.27 -0.55 8.24 8.59 1mx9B1 VAL 2026 HA -0.08 0.24 1.13 -0.75 4.13 4.67 1mx9B1 VAL 2026 HB -0.44 -0.07 -0.01 -0.04 2.12 1.56 1mx9B1 VAL 2026 HG13 -0.81 -0.01 -0.22 -0.04 0.97 -0.12 1mx9B1 VAL 2026 HG23 -0.30 -0.01 -0.11 -0.04 0.95 0.49 1mx9B1 ASP 2027 H -0.11 0.21 0.18 -0.55 8.40 8.14 1mx9B1 ASP 2027 HA 0.01 0.10 0.78 -0.75 4.63 4.77 1mx9B1 ASP 2027 HB2 -0.07 -0.01 0.18 -0.04 2.71 2.78 1mx9B1 ASP 2027 HB3 -0.06 0.07 -0.04 -0.04 2.70 2.63 1mx9B1 THR 2028 H 0.03 0.56 0.24 -0.55 8.28 8.56 1mx9B1 THR 2028 HA -0.06 0.20 0.83 -0.75 4.39 4.60 1mx9B1 THR 2028 HB 0.16 -0.06 0.09 -0.04 4.32 4.46 1mx9B1 THR 2028 HG23 0.48 0.03 -0.18 -0.04 1.22 1.50 1mx9B1 VAL 2029 H -0.26 0.18 0.11 -0.55 8.24 7.72 1mx9B1 VAL 2029 HA -0.23 0.09 0.40 -0.75 4.13 3.63 1mx9B1 VAL 2029 HB -0.57 -0.03 0.08 -0.04 2.12 1.56 1mx9B1 VAL 2029 HG13 -0.33 0.00 -0.05 -0.04 0.97 0.55 1mx9B1 VAL 2029 HG23 -0.28 0.01 0.06 -0.04 0.95 0.70 1mx9B1 HIS 2030 H -0.29 0.05 -0.19 -0.55 8.41 7.43 1mx9B1 HIS 2030 HA -0.41 0.16 0.60 -0.75 4.63 4.23 1mx9B1 HIS 2030 HB2 -0.60 0.02 -0.05 -0.04 3.26 2.59 1mx9B1 HIS 2030 HB3 -0.66 -0.01 -0.02 -0.04 3.20 2.48 1mx9B1 HIS 2030 HD2 0.35 0.03 -0.05 -0.04 6.97 7.25 1mx9B1 HIS 2030 HE1 0.01 -0.05 -0.08 -0.04 7.75 7.59 1mx9B1 GLY 2031 H -0.45 0.30 -0.35 -0.55 8.43 7.38 1mx9B1 GLY 2031 HA2 -0.44 0.08 0.29 -0.51 4.01 3.43 1mx9B1 GLY 2031 HA3 -1.78 0.13 0.76 -0.51 4.01 2.60 1mx9B1 LYS 2032 H 0.24 0.30 0.19 -0.55 8.42 8.60 1mx9B1 LYS 2032 HA 0.21 0.26 0.88 -0.75 4.32 4.92 1mx9B1 LYS 2032 HB2 0.25 0.16 0.20 -0.04 1.87 2.44 1mx9B1 LYS 2032 HB3 0.18 -0.01 0.01 -0.04 1.79 1.93 1mx9B1 LYS 2032 HG2 0.07 0.00 -0.09 -0.04 1.46 1.40 1mx9B1 LYS 2032 HG3 0.07 -0.02 0.01 -0.04 1.46 1.48 1mx9B1 LYS 2032 HD2 0.12 0.01 -0.09 -0.04 1.69 1.68 1mx9B1 LYS 2032 HD3 0.10 -0.02 -0.10 -0.04 1.68 1.61 1mx9B1 LYS 2032 HE2 0.03 0.01 -0.04 -0.04 2.99 2.95 1mx9B1 LYS 2032 HE3 0.06 -0.04 -0.05 -0.04 2.99 2.91 1mx9B1 VAL 2033 H 0.25 0.58 0.39 -0.55 8.24 8.90 1mx9B1 VAL 2033 HA 0.24 0.31 0.97 -0.75 4.13 4.89 1mx9B1 VAL 2033 HB 0.36 0.02 0.01 -0.04 2.12 2.47 1mx9B1 VAL 2033 HG13 0.49 0.01 -0.24 -0.04 0.97 1.19 1mx9B1 VAL 2033 HG23 0.34 0.01 -0.07 -0.04 0.95 1.20 1mx9B1 LEU 2034 H 0.13 0.50 0.30 -0.55 8.37 8.76 1mx9B1 LEU 2034 HA 0.08 0.35 1.07 -0.75 4.35 5.10 1mx9B1 LEU 2034 HB2 0.06 -0.07 -0.18 -0.04 1.64 1.40 1mx9B1 LEU 2034 HB3 -0.00 -0.16 0.13 -0.04 1.64 1.57 1mx9B1 LEU 2034 HG 0.02 -0.03 -0.08 -0.04 1.64 1.51 1mx9B1 LEU 2034 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.80 1mx9B1 LEU 2034 HD23 -0.07 0.16 -0.05 -0.04 0.89 0.90 1mx9B1 GLY 2035 H -0.25 0.52 0.13 -0.55 8.43 8.29 1mx9B1 GLY 2035 HA2 -0.37 0.21 0.90 -0.51 4.01 4.24 1mx9B1 GLY 2035 HA3 -1.16 -0.01 0.31 -0.51 4.01 2.64 1mx9B1 LYS 2036 H -0.54 0.40 0.31 -0.55 8.42 8.03 1mx9B1 LYS 2036 HA -0.24 0.05 0.70 -0.75 4.32 4.07 1mx9B1 LYS 2036 HB2 -0.09 0.01 0.11 -0.04 1.87 1.86 1mx9B1 LYS 2036 HB3 -0.16 0.07 -0.18 -0.04 1.79 1.48 1mx9B1 LYS 2036 HG2 -0.20 0.05 0.13 -0.04 1.46 1.39 1mx9B1 LYS 2036 HG3 -0.09 0.02 -0.27 -0.04 1.46 1.08 1mx9B1 LYS 2036 HD2 -0.07 -0.01 -0.03 -0.04 1.69 1.54 1mx9B1 LYS 2036 HD3 -0.13 0.03 -0.02 -0.04 1.68 1.52 1mx9B1 LYS 2036 HE2 -0.16 -0.00 -0.04 -0.04 2.99 2.74 1mx9B1 LYS 2036 HE3 -0.06 -0.03 -0.05 -0.04 2.99 2.80 1mx9B1 PHE 2037 H 0.02 0.12 0.17 -0.55 8.34 8.10 1mx9B1 PHE 2037 HA -0.04 0.26 0.73 -0.75 4.62 4.83 1mx9B1 PHE 2037 HB2 -0.02 -0.04 0.10 -0.04 3.15 3.15 1mx9B1 PHE 2037 HB3 0.00 0.01 -0.08 -0.04 3.06 2.95 1mx9B1 PHE 2037 HD2 0.00 0.02 -0.25 -0.04 7.28 7.02 1mx9B1 PHE 2037 HE2 0.03 0.19 -0.06 -0.04 7.38 7.50 1mx9B1 PHE 2037 HZ 0.03 -0.05 -0.04 -0.04 7.32 7.23 1mx9B1 VAL 2038 H 0.16 0.72 0.36 -0.55 8.24 8.93 1mx9B1 VAL 2038 HA 0.08 0.11 0.86 -0.75 4.13 4.43 1mx9B1 VAL 2038 HB 0.08 -0.02 0.09 -0.04 2.12 2.24 1mx9B1 VAL 2038 HG13 0.07 -0.00 -0.11 -0.04 0.97 0.88 1mx9B1 VAL 2038 HG23 0.03 0.00 -0.20 -0.04 0.95 0.74 1mx9B1 SER 2039 H 0.06 0.13 0.14 -0.55 8.46 8.25 1mx9B1 SER 2039 HA 0.07 0.17 0.92 -0.75 4.49 4.89 1mx9B1 SER 2039 HB2 0.05 -0.07 0.05 -0.04 3.95 3.94 1mx9B1 SER 2039 HB3 0.06 0.14 0.02 -0.04 3.93 4.11 1mx9B1 LEU 2040 H 0.06 0.31 0.18 -0.55 8.37 8.38 1mx9B1 LEU 2040 HA 0.06 0.13 0.86 -0.75 4.35 4.65 1mx9B1 LEU 2040 HB2 -0.09 0.00 -0.07 -0.04 1.64 1.44 1mx9B1 LEU 2040 HB3 -0.20 0.03 0.01 -0.04 1.64 1.44 1mx9B1 LEU 2040 HG 0.07 0.08 -0.14 -0.04 1.64 1.61 1mx9B1 LEU 2040 HD13 0.08 -0.01 0.04 -0.04 0.93 0.99 1mx9B1 LEU 2040 HD23 -0.32 -0.00 -0.13 -0.04 0.89 0.39 1mx9B1 GLU 2041 H 0.12 0.17 0.11 -0.55 8.60 8.46 1mx9B1 GLU 2041 HA 0.11 -0.03 0.35 -0.75 4.29 3.96 1mx9B1 GLU 2041 HB2 0.10 0.01 0.14 -0.04 2.09 2.30 1mx9B1 GLU 2041 HB3 0.17 0.05 0.18 -0.04 1.99 2.35 1mx9B1 GLU 2041 HG2 0.09 -0.02 -0.00 -0.04 2.34 2.37 1mx9B1 GLU 2041 HG3 0.10 0.02 -0.20 -0.04 2.34 2.22 1mx9B1 GLY 2042 H 0.08 0.11 0.18 -0.55 8.43 8.25 1mx9B1 GLY 2042 HA2 -0.04 -0.06 0.33 -0.51 4.01 3.72 1mx9B1 GLY 2042 HA3 -0.08 0.17 0.77 -0.51 4.01 4.37 1mx9B1 PHE 2043 H 0.31 0.61 0.02 -0.55 8.34 8.72 1mx9B1 PHE 2043 HA -0.05 0.13 1.06 -0.75 4.62 5.00 1mx9B1 PHE 2043 HB2 -0.03 -0.04 0.09 -0.04 3.15 3.13 1mx9B1 PHE 2043 HB3 -0.04 0.07 -0.02 -0.04 3.06 3.02 1mx9B1 PHE 2043 HD2 -0.10 0.04 -0.26 -0.04 7.28 6.93 1mx9B1 PHE 2043 HE2 -0.32 0.06 -0.07 -0.04 7.38 7.01 1mx9B1 PHE 2043 HZ -1.75 -0.05 -0.08 -0.04 7.32 5.40 1mx9B1 ALA 2044 H 0.02 0.12 0.11 -0.55 8.40 8.11 1mx9B1 ALA 2044 HA 0.02 0.01 0.35 -0.75 4.34 3.97 1mx9B1 ALA 2044 HB3 0.00 -0.02 0.12 -0.04 1.41 1.47 1mx9B1 GLN 2045 H 0.05 0.02 0.04 -0.55 8.47 8.04 1mx9B1 GLN 2045 HA -0.00 0.03 0.41 -0.75 4.36 4.04 1mx9B1 GLN 2045 HB2 0.04 -0.12 0.11 -0.04 2.15 2.13 1mx9B1 GLN 2045 HB3 0.07 0.00 0.08 -0.04 2.02 2.13 1mx9B1 GLN 2045 HG2 0.07 0.03 -0.08 -0.04 2.40 2.38 1mx9B1 GLN 2045 HG3 0.08 0.35 -0.17 -0.04 2.39 2.61 1mx9B1 GLN 2045 HE21 -0.02 -0.07 0.02 -0.04 6.97 6.86 1mx9B1 GLN 2045 HE22 0.02 -0.06 0.01 -0.04 7.69 7.62 1mx9B1 PRO 2046 HA 0.07 0.05 0.56 -0.51 4.44 4.62 1mx9B1 PRO 2046 HB2 0.09 -0.03 -0.12 -0.04 2.28 2.19 1mx9B1 PRO 2046 HB3 0.07 -0.08 -0.19 -0.04 2.02 1.78 1mx9B1 PRO 2046 HG2 -0.24 -0.01 0.02 -0.04 2.03 1.76 1mx9B1 PRO 2046 HG3 -0.05 0.10 0.04 -0.04 2.03 2.08 1mx9B1 PRO 2046 HD2 -0.17 0.04 0.18 -0.04 3.68 3.69 1mx9B1 PRO 2046 HD3 -0.08 0.10 0.24 -0.04 3.65 3.87 1mx9B1 VAL 2047 H 0.13 0.53 0.31 -0.55 8.24 8.65 1mx9B1 VAL 2047 HA 0.17 0.29 0.75 -0.75 4.13 4.59 1mx9B1 VAL 2047 HB 0.12 0.01 0.14 -0.04 2.12 2.34 1mx9B1 VAL 2047 HG13 0.19 -0.03 -0.41 -0.04 0.97 0.68 1mx9B1 VAL 2047 HG23 0.04 0.01 -0.09 -0.04 0.95 0.87 1mx9B1 ALA 2048 H 0.20 0.69 0.27 -0.55 8.40 9.01 1mx9B1 ALA 2048 HA -0.21 0.11 0.75 -0.75 4.34 4.24 1mx9B1 ALA 2048 HB3 0.02 -0.00 0.07 -0.04 1.41 1.46 1mx9B1 ILE 2049 H -0.26 0.65 0.35 -0.55 8.25 8.45 1mx9B1 ILE 2049 HA -0.14 0.31 1.08 -0.75 4.18 4.68 1mx9B1 ILE 2049 HB -0.16 0.07 0.18 -0.04 1.89 1.93 1mx9B1 ILE 2049 HG12 -0.09 -0.01 -0.07 -0.04 1.49 1.28 1mx9B1 ILE 2049 HG13 0.03 0.05 -0.24 -0.04 1.21 1.01 1mx9B1 ILE 2049 HG23 -0.37 -0.02 -0.19 -0.04 0.93 0.31 1mx9B1 ILE 2049 HD13 0.16 -0.03 -0.05 -0.04 0.88 0.93 1mx9B1 PHE 2050 H 0.09 0.58 0.32 -0.55 8.34 8.77 1mx9B1 PHE 2050 HA -0.07 0.29 1.02 -0.75 4.62 5.10 1mx9B1 PHE 2050 HB2 0.01 -0.10 0.17 -0.04 3.15 3.18 1mx9B1 PHE 2050 HB3 0.07 0.05 -0.04 -0.04 3.06 3.10 1mx9B1 PHE 2050 HD2 0.13 0.05 -0.24 -0.04 7.28 7.18 1mx9B1 PHE 2050 HE2 0.11 0.04 -0.22 -0.04 7.38 7.27 1mx9B1 PHE 2050 HZ -0.04 0.00 -0.18 -0.04 7.32 7.06 1mx9B1 LEU 2051 H -0.09 0.85 0.24 -0.55 8.37 8.82 1mx9B1 LEU 2051 HA -0.04 0.01 0.87 -0.75 4.35 4.43 1mx9B1 LEU 2051 HB2 -0.24 -0.07 -0.31 -0.04 1.64 0.98 1mx9B1 LEU 2051 HB3 -0.20 -0.03 -0.38 -0.04 1.64 1.00 1mx9B1 LEU 2051 HG -0.24 0.05 -0.23 -0.04 1.64 1.18 1mx9B1 LEU 2051 HD13 -0.92 -0.01 -0.27 -0.04 0.93 -0.30 1mx9B1 LEU 2051 HD23 0.03 -0.00 -0.15 -0.04 0.89 0.72 1mx9B1 GLY 2052 H 0.02 0.05 0.04 -0.55 8.43 7.99 1mx9B1 GLY 2052 HA2 0.05 -0.09 0.27 -0.51 4.01 3.73 1mx9B1 GLY 2052 HA3 -0.14 0.13 0.33 -0.51 4.01 3.82 1mx9B1 ILE 2053 H 0.03 0.47 0.15 -0.55 8.25 8.35 1mx9B1 ILE 2053 HA 0.02 0.21 0.73 -0.75 4.18 4.38 1mx9B1 ILE 2053 HB -0.24 -0.02 0.04 -0.04 1.89 1.62 1mx9B1 ILE 2053 HG12 0.14 0.04 -0.17 -0.04 1.49 1.46 1mx9B1 ILE 2053 HG13 0.05 -0.04 -0.25 -0.04 1.21 0.94 1mx9B1 ILE 2053 HG23 0.19 0.03 -0.17 -0.04 0.93 0.95 1mx9B1 ILE 2053 HD13 0.10 -0.01 -0.13 -0.04 0.88 0.80 1mx9B1 PRO 2054 HA -0.58 0.21 0.64 -0.51 4.44 4.20 1mx9B1 PRO 2054 HB2 -0.21 0.04 0.03 -0.04 2.28 2.10 1mx9B1 PRO 2054 HB3 -0.32 -0.00 0.06 -0.04 2.02 1.71 1mx9B1 PRO 2054 HG2 0.18 0.02 0.11 -0.04 2.03 2.30 1mx9B1 PRO 2054 HG3 -0.19 0.02 0.05 -0.04 2.03 1.87 1mx9B1 PRO 2054 HD2 -0.11 0.06 0.17 -0.04 3.68 3.76 1mx9B1 PRO 2054 HD3 -0.07 0.24 0.20 -0.04 3.65 3.98 1mx9B1 PHE 2055 H -0.59 0.46 0.23 -0.55 8.34 7.89 1mx9B1 PHE 2055 HA -0.11 0.17 0.83 -0.75 4.62 4.76 1mx9B1 PHE 2055 HB2 -0.14 -0.00 0.10 -0.04 3.15 3.07 1mx9B1 PHE 2055 HB3 -0.69 0.01 -0.11 -0.04 3.06 2.22 1mx9B1 PHE 2055 HD2 -0.11 -0.01 -0.31 -0.04 7.28 6.81 1mx9B1 PHE 2055 HE2 -0.01 0.06 -0.01 -0.04 7.38 7.38 1mx9B1 PHE 2055 HZ 0.03 0.06 0.03 -0.04 7.32 7.39 1mx9B1 ALA 2056 H -0.35 0.27 -0.00 -0.55 8.40 7.77 1mx9B1 ALA 2056 HA -0.04 0.04 0.45 -0.75 4.34 4.05 1mx9B1 ALA 2056 HB3 -0.27 0.04 -0.09 -0.04 1.41 1.05 1mx9B1 LYS 2057 H -0.08 0.95 0.04 -0.55 8.42 8.78 1mx9B1 LYS 2057 HA -0.10 0.02 0.45 -0.75 4.32 3.94 1mx9B1 LYS 2057 HB2 -0.05 0.23 -0.17 -0.04 1.87 1.85 1mx9B1 LYS 2057 HB3 -0.06 -0.09 -0.01 -0.04 1.79 1.59 1mx9B1 LYS 2057 HG2 -0.06 0.06 -0.14 -0.04 1.46 1.28 1mx9B1 LYS 2057 HG3 -0.05 -0.03 0.07 -0.04 1.46 1.40 1mx9B1 LYS 2057 HD2 -0.03 0.08 -0.02 -0.04 1.69 1.68 1mx9B1 LYS 2057 HD3 -0.03 -0.03 -0.04 -0.04 1.68 1.54 1mx9B1 LYS 2057 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 1mx9B1 LYS 2057 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.92 1mx9B1 PRO 2058 HA -0.16 0.03 0.47 -0.51 4.44 4.27 1mx9B1 PRO 2058 HB2 -0.07 -0.04 0.14 -0.04 2.28 2.27 1mx9B1 PRO 2058 HB3 -0.07 -0.06 0.06 -0.04 2.02 1.91 1mx9B1 PRO 2058 HG2 -0.05 0.02 0.09 -0.04 2.03 2.05 1mx9B1 PRO 2058 HG3 -0.12 0.07 0.07 -0.04 2.03 2.01 1mx9B1 PRO 2058 HD2 -0.07 0.05 0.23 -0.04 3.68 3.85 1mx9B1 PRO 2058 HD3 -0.12 0.23 0.27 -0.04 3.65 3.98 1mx9B1 PRO 2059 HA -0.10 0.14 0.30 -0.51 4.44 4.27 1mx9B1 PRO 2059 HB2 -0.11 -0.04 0.15 -0.04 2.28 2.24 1mx9B1 PRO 2059 HB3 -0.10 0.10 0.11 -0.04 2.02 2.09 1mx9B1 PRO 2059 HG2 -0.11 0.05 0.06 -0.04 2.03 1.99 1mx9B1 PRO 2059 HG3 -0.11 -0.04 0.13 -0.04 2.03 1.97 1mx9B1 PRO 2059 HD2 -0.14 -0.10 0.27 -0.04 3.68 3.67 1mx9B1 PRO 2059 HD3 -0.17 0.24 0.23 -0.04 3.65 3.92 1mx9B1 LEU 2060 H -0.08 0.67 0.06 -0.55 8.37 8.48 1mx9B1 LEU 2060 HA -0.07 0.16 0.83 -0.75 4.35 4.52 1mx9B1 LEU 2060 HB2 -0.05 0.07 -0.01 -0.04 1.64 1.62 1mx9B1 LEU 2060 HB3 -0.04 -0.06 0.06 -0.04 1.64 1.55 1mx9B1 LEU 2060 HG -0.07 -0.03 -0.47 -0.04 1.64 1.03 1mx9B1 LEU 2060 HD13 -0.04 0.00 -0.05 -0.04 0.93 0.80 1mx9B1 LEU 2060 HD23 -0.06 -0.00 -0.22 -0.04 0.89 0.56 1mx9B1 GLY 2061 H -0.05 0.10 0.14 -0.55 8.43 8.07 1mx9B1 GLY 2061 HA2 -0.05 0.10 0.38 -0.51 4.01 3.93 1mx9B1 GLY 2061 HA3 -0.05 0.05 0.40 -0.51 4.01 3.91 1mx9B1 PRO 2062 HA -0.04 0.09 0.46 -0.51 4.44 4.44 1mx9B1 PRO 2062 HB2 -0.03 0.05 -0.01 -0.04 2.28 2.25 1mx9B1 PRO 2062 HB3 -0.01 -0.00 0.09 -0.04 2.02 2.06 1mx9B1 PRO 2062 HG2 -0.02 0.01 0.08 -0.04 2.03 2.06 1mx9B1 PRO 2062 HG3 -0.02 0.01 0.07 -0.04 2.03 2.05 1mx9B1 PRO 2062 HD2 -0.04 0.20 0.26 -0.04 3.68 4.06 1mx9B1 PRO 2062 HD3 -0.03 0.01 0.23 -0.04 3.65 3.81 1mx9B1 LEU 2063 H -0.08 0.44 -0.28 -0.55 8.37 7.91 1mx9B1 LEU 2063 HA -0.10 0.14 0.49 -0.75 4.35 4.13 1mx9B1 LEU 2063 HB2 -0.09 0.04 -0.05 -0.04 1.64 1.51 1mx9B1 LEU 2063 HB3 -0.09 -0.01 -0.02 -0.04 1.64 1.48 1mx9B1 LEU 2063 HG -0.05 -0.05 -0.03 -0.04 1.64 1.47 1mx9B1 LEU 2063 HD13 -0.05 0.00 -0.04 -0.04 0.93 0.80 1mx9B1 LEU 2063 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.71 1mx9B1 ARG 2064 H -0.16 0.22 -0.66 -0.55 8.46 7.31 1mx9B1 ARG 2064 HA -0.31 0.01 0.34 -0.75 4.34 3.63 1mx9B1 ARG 2064 HB2 -0.24 -0.07 0.02 -0.04 1.90 1.58 1mx9B1 ARG 2064 HB3 -0.35 0.11 0.01 -0.04 1.80 1.53 1mx9B1 ARG 2064 HG2 -1.86 0.02 -0.17 -0.04 1.67 -0.37 1mx9B1 ARG 2064 HG3 -0.45 -0.07 0.07 -0.04 1.67 1.18 1mx9B1 ARG 2064 HD2 -0.60 0.08 -0.06 -0.04 3.22 2.60 1mx9B1 ARG 2064 HD3 -0.98 -0.10 -0.07 -0.04 3.22 2.03 1mx9B1 PHE 2065 H -0.57 0.11 0.20 -0.55 8.34 7.53 1mx9B1 PHE 2065 HA -1.55 -0.02 0.32 -0.75 4.62 2.62 1mx9B1 PHE 2065 HB2 -0.28 0.29 0.20 -0.04 3.15 3.32 1mx9B1 PHE 2065 HB3 -0.26 -0.11 0.17 -0.04 3.06 2.82 1mx9B1 PHE 2065 HD2 -0.03 0.09 -0.09 -0.04 7.28 7.21 1mx9B1 PHE 2065 HE2 -0.12 0.10 -0.28 -0.04 7.38 7.04 1mx9B1 PHE 2065 HZ -0.44 -0.06 -0.16 -0.04 7.32 6.62 1mx9B1 THR 2066 H -0.65 0.29 0.04 -0.55 8.28 7.41 1mx9B1 THR 2066 HA -0.68 0.04 0.55 -0.75 4.39 3.54 1mx9B1 THR 2066 HB -0.12 -0.08 0.08 -0.04 4.32 4.15 1mx9B1 THR 2066 HG23 -0.18 0.05 -0.43 -0.04 1.22 0.63 1mx9B1 PRO 2067 HA 0.27 0.02 0.40 -0.51 4.44 4.61 1mx9B1 PRO 2067 HB2 0.10 0.03 -0.05 -0.04 2.28 2.32 1mx9B1 PRO 2067 HB3 0.16 0.04 0.06 -0.04 2.02 2.24 1mx9B1 PRO 2067 HG2 0.17 0.02 0.04 -0.04 2.03 2.22 1mx9B1 PRO 2067 HG3 0.38 -0.02 0.04 -0.04 2.03 2.39 1mx9B1 PRO 2067 HD2 0.05 0.12 0.14 -0.04 3.68 3.94 1mx9B1 PRO 2067 HD3 0.15 0.10 0.17 -0.04 3.65 4.03 1mx9B1 PRO 2068 HA 0.00 0.07 0.57 -0.51 4.44 4.57 1mx9B1 PRO 2068 HB2 0.06 0.07 0.01 -0.04 2.28 2.38 1mx9B1 PRO 2068 HB3 0.05 -0.03 0.11 -0.04 2.02 2.11 1mx9B1 PRO 2068 HG2 0.13 0.06 0.09 -0.04 2.03 2.27 1mx9B1 PRO 2068 HG3 0.17 -0.01 -0.16 -0.04 2.03 1.99 1mx9B1 PRO 2068 HD2 0.15 0.04 0.15 -0.04 3.68 3.98 1mx9B1 PRO 2068 HD3 0.18 0.10 0.13 -0.04 3.65 4.01 1mx9B1 GLN 2069 H -0.02 0.12 0.19 -0.55 8.47 8.22 1mx9B1 GLN 2069 HA 0.04 0.19 0.73 -0.75 4.36 4.56 1mx9B1 GLN 2069 HB2 -0.02 -0.05 0.09 -0.04 2.15 2.14 1mx9B1 GLN 2069 HB3 0.00 0.06 0.04 -0.04 2.02 2.08 1mx9B1 GLN 2069 HG2 0.02 -0.02 -0.00 -0.04 2.40 2.36 1mx9B1 GLN 2069 HG3 0.01 0.09 -0.16 -0.04 2.39 2.29 1mx9B1 GLN 2069 HE21 -0.01 -0.05 -0.03 -0.04 6.97 6.84 1mx9B1 GLN 2069 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.64 1mx9B1 PRO 2070 HA 0.09 0.07 0.39 -0.51 4.44 4.48 1mx9B1 PRO 2070 HB2 0.05 0.00 -0.02 -0.04 2.28 2.28 1mx9B1 PRO 2070 HB3 0.15 0.07 0.02 -0.04 2.02 2.22 1mx9B1 PRO 2070 HG2 0.07 0.01 0.05 -0.04 2.03 2.13 1mx9B1 PRO 2070 HG3 0.10 0.09 0.06 -0.04 2.03 2.23 1mx9B1 PRO 2070 HD2 0.03 0.07 0.16 -0.04 3.68 3.89 1mx9B1 PRO 2070 HD3 0.05 0.16 0.24 -0.04 3.65 4.06 1mx9B1 ALA 2071 H 0.01 0.15 -0.09 -0.55 8.40 7.92 1mx9B1 ALA 2071 HA -0.08 -0.01 0.09 -0.75 4.34 3.58 1mx9B1 ALA 2071 HB3 -0.06 -0.01 -0.18 -0.04 1.41 1.12 1mx9B1 GLU 2072 H -0.03 0.02 0.11 -0.55 8.60 8.16 1mx9B1 GLU 2072 HA -0.05 0.11 0.48 -0.75 4.29 4.07 1mx9B1 GLU 2072 HB2 0.04 -0.07 0.08 -0.04 2.09 2.10 1mx9B1 GLU 2072 HB3 0.03 0.07 0.04 -0.04 1.99 2.09 1mx9B1 GLU 2072 HG2 -0.01 -0.03 0.07 -0.04 2.34 2.33 1mx9B1 GLU 2072 HG3 0.01 -0.05 0.04 -0.04 2.34 2.29 1mx9B1 PRO 2073 HA -0.19 0.16 0.61 -0.51 4.44 4.51 1mx9B1 PRO 2073 HB2 -0.11 0.07 0.02 -0.04 2.28 2.21 1mx9B1 PRO 2073 HB3 0.02 0.02 0.13 -0.04 2.02 2.14 1mx9B1 PRO 2073 HG2 -0.01 -0.04 0.09 -0.04 2.03 2.03 1mx9B1 PRO 2073 HG3 0.00 0.00 0.07 -0.04 2.03 2.06 1mx9B1 PRO 2073 HD2 0.01 0.00 0.22 -0.04 3.68 3.87 1mx9B1 PRO 2073 HD3 0.02 0.19 0.18 -0.04 3.65 4.00 1mx9B1 TRP 2074 H -0.59 0.78 0.39 -0.55 7.97 8.00 1mx9B1 TRP 2074 HA -0.02 0.11 0.95 -0.75 4.62 4.90 1mx9B1 TRP 2074 HB2 0.02 -0.18 0.04 -0.04 3.23 3.07 1mx9B1 TRP 2074 HB3 0.02 0.06 -0.04 -0.04 3.23 3.23 1mx9B1 TRP 2074 HD1 0.05 -0.09 -0.31 -0.04 7.22 6.83 1mx9B1 TRP 2074 HE1 0.10 0.46 -0.19 -0.04 10.20 10.54 1mx9B1 TRP 2074 HE3 0.04 0.14 -0.03 -0.04 7.59 7.69 1mx9B1 TRP 2074 HZ2 0.21 0.04 -0.35 -0.04 7.44 7.30 1mx9B1 TRP 2074 HZ3 0.09 0.04 -0.09 -0.04 7.13 7.13 1mx9B1 TRP 2074 HH2 0.31 0.02 -0.12 -0.04 7.19 7.36 1mx9B1 SER 2075 H 0.08 0.05 0.13 -0.55 8.46 8.18 1mx9B1 SER 2075 HA -0.21 0.25 0.65 -0.75 4.49 4.42 1mx9B1 SER 2075 HB2 -0.49 -0.06 0.13 -0.04 3.95 3.50 1mx9B1 SER 2075 HB3 -1.34 -0.00 -0.04 -0.04 3.93 2.51 1mx9B1 PHE 2076 H 0.16 0.01 -0.08 -0.55 8.34 7.87 1mx9B1 PHE 2076 HA 0.11 0.32 1.12 -0.75 4.62 5.42 1mx9B1 PHE 2076 HB2 0.09 -0.06 0.18 -0.04 3.15 3.32 1mx9B1 PHE 2076 HB3 0.08 0.05 0.12 -0.04 3.06 3.26 1mx9B1 PHE 2076 HD2 0.06 0.03 -0.02 -0.04 7.28 7.32 1mx9B1 PHE 2076 HE2 0.04 0.00 -0.03 -0.04 7.38 7.36 1mx9B1 PHE 2076 HZ 0.04 -0.00 -0.03 -0.04 7.32 7.28 1mx9B1 VAL 2077 H 0.33 0.16 0.06 -0.55 8.24 8.24 1mx9B1 VAL 2077 HA 0.28 0.27 0.84 -0.75 4.13 4.77 1mx9B1 VAL 2077 HB 0.12 -0.05 0.06 -0.04 2.12 2.21 1mx9B1 VAL 2077 HG13 0.12 0.01 -0.39 -0.04 0.97 0.67 1mx9B1 VAL 2077 HG23 0.15 0.00 -0.18 -0.04 0.95 0.88 1mx9B1 LYS 2078 H 0.20 0.75 0.09 -0.55 8.42 8.90 1mx9B1 LYS 2078 HA -0.12 -0.02 0.58 -0.75 4.32 4.00 1mx9B1 LYS 2078 HB2 -1.07 -0.06 0.04 -0.04 1.87 0.75 1mx9B1 LYS 2078 HB3 -0.44 0.16 0.20 -0.04 1.79 1.67 1mx9B1 LYS 2078 HG2 -0.28 0.03 -0.38 -0.04 1.46 0.78 1mx9B1 LYS 2078 HG3 -0.39 -0.04 -0.03 -0.04 1.46 0.95 1mx9B1 LYS 2078 HD2 -1.02 -0.00 -0.04 -0.04 1.69 0.58 1mx9B1 LYS 2078 HD3 -0.50 0.08 -0.00 -0.04 1.68 1.21 1mx9B1 LYS 2078 HE2 -2.83 -0.02 -0.04 -0.04 2.99 0.05 1mx9B1 LYS 2078 HE3 -1.58 0.04 -0.02 -0.04 2.99 1.38 1mx9B1 ASN 2079 H -0.05 0.14 0.22 -0.55 8.53 8.29 1mx9B1 ASN 2079 HA -0.02 0.05 0.57 -0.75 4.76 4.61 1mx9B1 ASN 2079 HB2 -0.03 0.02 0.17 -0.04 2.88 3.00 1mx9B1 ASN 2079 HB3 -0.06 -0.03 0.24 -0.04 2.79 2.89 1mx9B1 ASN 2079 HD21 -0.05 0.02 -0.01 -0.04 7.03 6.95 1mx9B1 ASN 2079 HD22 -0.03 -0.01 0.02 -0.04 7.74 7.68 1mx9B1 ALA 2080 H 0.00 0.60 0.39 -0.55 8.40 8.84 1mx9B1 ALA 2080 HA -0.07 0.24 0.94 -0.75 4.34 4.70 1mx9B1 ALA 2080 HB3 0.10 0.00 -0.01 -0.04 1.41 1.46 1mx9B1 THR 2081 H -0.11 0.18 -0.22 -0.55 8.28 7.57 1mx9B1 THR 2081 HA -0.19 0.18 1.10 -0.75 4.39 4.72 1mx9B1 THR 2081 HB -0.15 -0.03 0.15 -0.04 4.32 4.24 1mx9B1 THR 2081 HG23 -0.15 0.04 -0.24 -0.04 1.22 0.83 1mx9B1 SER 2082 H -0.20 0.41 -0.10 -0.55 8.46 8.02 1mx9B1 SER 2082 HA -0.35 0.08 0.68 -0.75 4.49 4.13 1mx9B1 SER 2082 HB2 -0.13 0.02 0.02 -0.04 3.95 3.81 1mx9B1 SER 2082 HB3 -0.14 0.01 -0.14 -0.04 3.93 3.62 1mx9B1 TYR 2083 H -0.61 0.09 0.04 -0.55 8.29 7.25 1mx9B1 TYR 2083 HA -0.07 -0.02 0.31 -0.75 4.56 4.02 1mx9B1 TYR 2083 HB2 -0.07 0.01 0.03 -0.04 3.06 2.99 1mx9B1 TYR 2083 HB3 -0.06 0.01 0.01 -0.04 2.98 2.90 1mx9B1 TYR 2083 HD2 -0.02 -0.00 -0.00 -0.04 7.15 7.08 1mx9B1 TYR 2083 HE2 0.01 0.00 -0.04 -0.04 6.85 6.78 1mx9B1 PRO 2084 HA -0.33 0.16 0.50 -0.51 4.44 4.26 1mx9B1 PRO 2084 HB2 -0.43 0.16 0.05 -0.04 2.28 2.03 1mx9B1 PRO 2084 HB3 -0.70 0.03 0.05 -0.04 2.02 1.36 1mx9B1 PRO 2084 HG2 -0.01 0.00 -0.09 -0.04 2.03 1.88 1mx9B1 PRO 2084 HG3 0.04 -0.06 -0.04 -0.04 2.03 1.92 1mx9B1 PRO 2084 HD2 0.10 -0.04 0.14 -0.04 3.68 3.84 1mx9B1 PRO 2084 HD3 -0.06 0.13 0.04 -0.04 3.65 3.73 1mx9B1 PRO 2085 HA -0.09 -0.01 0.62 -0.51 4.44 4.45 1mx9B1 PRO 2085 HB2 -0.09 0.06 -0.24 -0.04 2.28 1.96 1mx9B1 PRO 2085 HB3 -0.09 -0.03 -0.30 -0.04 2.02 1.56 1mx9B1 PRO 2085 HG2 -0.12 0.05 -0.02 -0.04 2.03 1.90 1mx9B1 PRO 2085 HG3 -0.14 0.00 -0.06 -0.04 2.03 1.79 1mx9B1 PRO 2085 HD2 -0.27 0.15 0.14 -0.04 3.68 3.65 1mx9B1 PRO 2085 HD3 -0.44 0.10 0.15 -0.04 3.65 3.42 1mx9B1 MET 2086 H -0.08 0.63 0.29 -0.55 8.47 8.76 1mx9B1 MET 2086 HA -0.08 0.04 0.74 -0.75 4.52 4.47 1mx9B1 MET 2086 HB2 -0.09 0.13 -0.00 -0.04 2.15 2.14 1mx9B1 MET 2086 HB3 -0.09 -0.13 -0.00 -0.04 2.03 1.78 1mx9B1 MET 2086 HG2 -0.08 0.06 -0.12 -0.04 2.63 2.45 1mx9B1 MET 2086 HG3 -0.09 0.01 -0.24 -0.04 2.56 2.20 1mx9B1 MET 2086 HE3 -0.05 -0.01 -0.21 -0.04 2.10 1.80 1mx9B1 CYS 2087 H -0.10 0.10 0.08 -0.55 8.50 8.03 1mx9B1 CYS 2087 HA -0.20 0.31 0.38 -0.75 4.58 4.32 1mx9B1 CYS 2087 HB2 -0.13 0.05 0.02 -0.04 2.97 2.86 1mx9B1 CYS 2087 HB3 -0.22 -0.09 0.06 -0.04 2.97 2.68 1mx9B1 THR 2088 H -0.49 0.11 -0.01 -0.55 8.28 7.34 1mx9B1 THR 2088 HA -0.28 -0.03 0.32 -0.75 4.39 3.65 1mx9B1 THR 2088 HB -1.79 0.01 -0.08 -0.04 4.32 2.42 1mx9B1 THR 2088 HG23 -0.21 0.00 -0.04 -0.04 1.22 0.93 1mx9B1 GLN 2089 H -0.09 0.23 0.19 -0.55 8.47 8.26 1mx9B1 GLN 2089 HA 0.11 0.04 0.44 -0.75 4.36 4.19 1mx9B1 GLN 2089 HB2 0.04 -0.06 0.12 -0.04 2.15 2.21 1mx9B1 GLN 2089 HB3 0.00 0.34 -0.00 -0.04 2.02 2.32 1mx9B1 GLN 2089 HG2 -0.07 0.02 -0.32 -0.04 2.40 1.99 1mx9B1 GLN 2089 HG3 -0.02 -0.08 -0.45 -0.04 2.39 1.80 1mx9B1 GLN 2089 HE21 -0.05 0.14 -0.12 -0.04 6.97 6.90 1mx9B1 GLN 2089 HE22 -0.08 0.79 -0.18 -0.04 7.69 8.17 1mx9B1 ASP 2090 H 0.10 0.21 0.10 -0.55 8.40 8.26 1mx9B1 ASP 2090 HA 0.06 0.11 0.42 -0.75 4.63 4.47 1mx9B1 ASP 2090 HB2 0.08 0.13 0.12 -0.04 2.71 3.00 1mx9B1 ASP 2090 HB3 0.05 -0.04 0.15 -0.04 2.70 2.82 1mx9B1 PRO 2091 HA -0.02 0.09 0.38 -0.51 4.44 4.39 1mx9B1 PRO 2091 HB2 -0.01 -0.04 0.15 -0.04 2.28 2.35 1mx9B1 PRO 2091 HB3 -0.02 0.07 0.11 -0.04 2.02 2.14 1mx9B1 PRO 2091 HG2 0.00 0.04 0.13 -0.04 2.03 2.16 1mx9B1 PRO 2091 HG3 -0.01 0.08 0.18 -0.04 2.03 2.24 1mx9B1 PRO 2091 HD2 0.02 0.03 0.23 -0.04 3.68 3.92 1mx9B1 PRO 2091 HD3 0.03 0.16 0.28 -0.04 3.65 4.08 1mx9B1 LYS 2092 H 0.00 0.16 -0.06 -0.55 8.42 7.97 1mx9B1 LYS 2092 HA -0.01 0.07 0.32 -0.75 4.32 3.95 1mx9B1 LYS 2092 HB2 0.00 -0.01 0.06 -0.04 1.87 1.87 1mx9B1 LYS 2092 HB3 -0.01 0.06 -0.00 -0.04 1.79 1.80 1mx9B1 LYS 2092 HG2 -0.00 0.02 0.05 -0.04 1.46 1.48 1mx9B1 LYS 2092 HG3 0.00 -0.04 0.09 -0.04 1.46 1.47 1mx9B1 LYS 2092 HD2 0.00 0.04 0.02 -0.04 1.69 1.70 1mx9B1 LYS 2092 HD3 -0.00 0.02 0.01 -0.04 1.68 1.67 1mx9B1 LYS 2092 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 1mx9B1 LYS 2092 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96 1mx9B1 ALA 2093 H 0.00 0.08 -0.25 -0.55 8.40 7.68 1mx9B1 ALA 2093 HA -0.02 0.09 0.44 -0.75 4.34 4.09 1mx9B1 ALA 2093 HB3 0.01 0.03 0.05 -0.04 1.41 1.46 1mx9B1 GLY 2094 H -0.00 0.71 -0.20 -0.55 8.43 8.39 1mx9B1 GLY 2094 HA2 -0.01 -0.08 0.37 -0.51 4.01 3.78 1mx9B1 GLY 2094 HA3 -0.02 0.11 0.26 -0.51 4.01 3.86 1mx9B1 GLN 2095 H -0.03 0.62 -0.07 -0.55 8.47 8.44 1mx9B1 GLN 2095 HA -0.05 0.02 0.47 -0.75 4.36 4.04 1mx9B1 GLN 2095 HB2 -0.03 0.02 0.07 -0.04 2.15 2.16 1mx9B1 GLN 2095 HB3 -0.03 0.10 0.06 -0.04 2.02 2.11 1mx9B1 GLN 2095 HG2 -0.03 -0.00 -0.20 -0.04 2.40 2.13 1mx9B1 GLN 2095 HG3 -0.05 -0.04 0.01 -0.04 2.39 2.27 1mx9B1 GLN 2095 HE21 -0.03 0.03 -0.02 -0.04 6.97 6.90 1mx9B1 GLN 2095 HE22 -0.04 -0.03 -0.04 -0.04 7.69 7.53 1mx9B1 LEU 2096 H -0.03 0.44 -0.20 -0.55 8.37 8.04 1mx9B1 LEU 2096 HA -0.03 0.02 0.42 -0.75 4.35 4.01 1mx9B1 LEU 2096 HB2 -0.03 0.10 0.14 -0.04 1.64 1.81 1mx9B1 LEU 2096 HB3 -0.05 0.10 0.13 -0.04 1.64 1.78 1mx9B1 LEU 2096 HG -0.04 -0.04 -0.12 -0.04 1.64 1.39 1mx9B1 LEU 2096 HD13 0.01 -0.01 0.04 -0.04 0.93 0.92 1mx9B1 LEU 2096 HD23 -0.04 0.01 -0.02 -0.04 0.89 0.80 1mx9B1 LEU 2097 H -0.07 0.44 -0.27 -0.55 8.37 7.92 1mx9B1 LEU 2097 HA -0.26 0.04 0.41 -0.75 4.35 3.79 1mx9B1 LEU 2097 HB2 -0.12 0.05 0.08 -0.04 1.64 1.61 1mx9B1 LEU 2097 HB3 -0.07 0.09 0.09 -0.04 1.64 1.72 1mx9B1 LEU 2097 HG -0.31 -0.01 -0.17 -0.04 1.64 1.11 1mx9B1 LEU 2097 HD13 -0.63 -0.01 -0.03 -0.04 0.93 0.22 1mx9B1 LEU 2097 HD23 0.08 -0.03 -0.10 -0.04 0.89 0.81 1mx9B1 SER 2098 H -0.07 0.40 -0.15 -0.55 8.46 8.10 1mx9B1 SER 2098 HA -0.09 -0.03 0.37 -0.75 4.49 3.98 1mx9B1 SER 2098 HB2 -0.07 -0.01 0.10 -0.04 3.95 3.93 1mx9B1 SER 2098 HB3 -0.08 0.12 0.15 -0.04 3.93 4.08 1mx9B1 GLU 2099 H -0.06 0.57 -0.19 -0.55 8.60 8.38 1mx9B1 GLU 2099 HA -0.04 -0.02 0.37 -0.75 4.29 3.85 1mx9B1 GLU 2099 HB2 -0.00 0.07 0.10 -0.04 2.09 2.21 1mx9B1 GLU 2099 HB3 0.00 -0.03 0.04 -0.04 1.99 1.96 1mx9B1 GLU 2099 HG2 -0.03 -0.08 0.00 -0.04 2.34 2.18 1mx9B1 GLU 2099 HG3 -0.03 0.44 0.12 -0.04 2.34 2.82 1mx9B1 LEU 2100 H -0.06 0.40 -0.19 -0.55 8.37 7.97 1mx9B1 LEU 2100 HA 0.14 0.06 0.38 -0.75 4.35 4.17 1mx9B1 LEU 2100 HB2 -0.27 0.06 0.10 -0.04 1.64 1.49 1mx9B1 LEU 2100 HB3 0.06 -0.11 0.10 -0.04 1.64 1.65 1mx9B1 LEU 2100 HG 0.01 0.23 0.10 -0.04 1.64 1.93 1mx9B1 LEU 2100 HD13 0.01 -0.04 -0.03 -0.04 0.93 0.82 1mx9B1 LEU 2100 HD23 0.21 -0.03 0.01 -0.04 0.89 1.04 1mx9B1 PHE 2101 H 0.00 0.29 -0.45 -0.55 8.34 7.63 1mx9B1 PHE 2101 HA -0.25 0.16 1.02 -0.75 4.62 4.81 1mx9B1 PHE 2101 HB2 -0.15 0.08 0.00 -0.04 3.15 3.04 1mx9B1 PHE 2101 HB3 -0.24 -0.10 -0.06 -0.04 3.06 2.62 1mx9B1 PHE 2101 HD2 0.10 0.21 -0.15 -0.04 7.28 7.41 1mx9B1 PHE 2101 HE2 0.17 -0.04 -0.08 -0.04 7.38 7.39 1mx9B1 PHE 2101 HZ 0.28 -0.10 -0.13 -0.04 7.32 7.33 1mx9B1 THR 2102 H -0.11 0.57 0.15 -0.55 8.28 8.34 1mx9B1 THR 2102 HA -0.46 0.08 0.35 -0.75 4.39 3.61 1mx9B1 THR 2102 HB -0.20 -0.00 0.18 -0.04 4.32 4.26 1mx9B1 THR 2102 HG23 -0.07 0.05 -0.04 -0.04 1.22 1.12 1mx9B1 ASN 2103 H -0.30 0.13 0.25 -0.55 8.53 8.07 1mx9B1 ASN 2103 HA -0.16 0.19 0.78 -0.75 4.76 4.82 1mx9B1 ASN 2103 HB2 -0.12 -0.08 0.09 -0.04 2.88 2.73 1mx9B1 ASN 2103 HB3 -0.25 0.03 -0.03 -0.04 2.79 2.50 1mx9B1 ASN 2103 HD21 -0.05 0.11 0.05 -0.04 7.03 7.09 1mx9B1 ASN 2103 HD22 -0.01 0.11 -0.16 -0.04 7.74 7.64 1mx9B1 ARG 2104 H -0.15 0.02 -0.09 -0.55 8.46 7.69 1mx9B1 ARG 2104 HA -0.07 0.12 0.53 -0.75 4.34 4.16 1mx9B1 ARG 2104 HB2 -0.10 -0.02 -0.26 -0.04 1.90 1.49 1mx9B1 ARG 2104 HB3 -0.06 -0.01 -0.03 -0.04 1.80 1.66 1mx9B1 ARG 2104 HG2 -0.07 0.01 -0.00 -0.04 1.67 1.57 1mx9B1 ARG 2104 HG3 -0.15 -0.14 0.04 -0.04 1.67 1.38 1mx9B1 ARG 2104 HD2 -0.18 -0.06 0.03 -0.04 3.22 2.97 1mx9B1 ARG 2104 HD3 -0.15 0.07 -0.03 -0.04 3.22 3.07 1mx9B1 LYS 2105 H -0.02 0.15 0.07 -0.55 8.42 8.07 1mx9B1 LYS 2105 HA -0.02 0.03 0.34 -0.75 4.32 3.92 1mx9B1 LYS 2105 HB2 0.01 0.28 0.19 -0.04 1.87 2.30 1mx9B1 LYS 2105 HB3 0.00 -0.08 0.12 -0.04 1.79 1.80 1mx9B1 LYS 2105 HG2 0.01 -0.03 -0.11 -0.04 1.46 1.29 1mx9B1 LYS 2105 HG3 0.02 -0.07 0.10 -0.04 1.46 1.47 1mx9B1 LYS 2105 HD2 0.02 0.12 0.05 -0.04 1.69 1.84 1mx9B1 LYS 2105 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 1mx9B1 LYS 2105 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 1mx9B1 LYS 2105 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.92 1mx9B1 GLU 2106 H -0.03 0.10 -0.19 -0.55 8.60 7.94 1mx9B1 GLU 2106 HA -0.02 0.16 0.82 -0.75 4.29 4.50 1mx9B1 GLU 2106 HB2 -0.01 -0.03 -0.18 -0.04 2.09 1.83 1mx9B1 GLU 2106 HB3 -0.01 -0.01 0.03 -0.04 1.99 1.95 1mx9B1 GLU 2106 HG2 -0.02 0.14 -0.13 -0.04 2.34 2.29 1mx9B1 GLU 2106 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.32 1mx9B1 ASN 2107 H -0.04 0.15 -0.00 -0.55 8.53 8.10 1mx9B1 ASN 2107 HA -0.10 -0.01 0.30 -0.75 4.76 4.19 1mx9B1 ASN 2107 HB2 -0.05 0.09 0.05 -0.04 2.88 2.92 1mx9B1 ASN 2107 HB3 -0.05 -0.03 0.00 -0.04 2.79 2.68 1mx9B1 ASN 2107 HD21 -0.13 -0.02 -0.12 -0.04 7.03 6.72 1mx9B1 ASN 2107 HD22 -0.14 -0.10 0.08 -0.04 7.74 7.53 1mx9B1 ILE 2108 H -0.16 0.09 0.07 -0.55 8.25 7.69 1mx9B1 ILE 2108 HA -0.09 0.24 0.77 -0.75 4.18 4.34 1mx9B1 ILE 2108 HB -0.36 -0.08 0.05 -0.04 1.89 1.45 1mx9B1 ILE 2108 HG12 -0.12 0.04 -0.03 -0.04 1.49 1.34 1mx9B1 ILE 2108 HG13 -0.17 0.03 -0.06 -0.04 1.21 0.97 1mx9B1 ILE 2108 HG23 -0.27 0.01 -0.22 -0.04 0.93 0.41 1mx9B1 ILE 2108 HD13 -0.71 -0.00 -0.03 -0.04 0.88 0.09 1mx9B1 PRO 2109 HA -0.06 -0.04 0.45 -0.51 4.44 4.28 1mx9B1 PRO 2109 HB2 -0.03 0.04 -0.01 -0.04 2.28 2.24 1mx9B1 PRO 2109 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.99 1mx9B1 PRO 2109 HG2 -0.02 0.02 0.09 -0.04 2.03 2.08 1mx9B1 PRO 2109 HG3 -0.02 0.02 0.06 -0.04 2.03 2.04 1mx9B1 PRO 2109 HD2 -0.04 0.07 0.24 -0.04 3.68 3.91 1mx9B1 PRO 2109 HD3 -0.04 0.23 0.16 -0.04 3.65 3.95 1mx9B1 LEU 2110 H -0.06 0.05 0.15 -0.55 8.37 7.95 1mx9B1 LEU 2110 HA -0.05 0.28 0.90 -0.75 4.35 4.74 1mx9B1 LEU 2110 HB2 -0.07 -0.07 -0.03 -0.04 1.64 1.43 1mx9B1 LEU 2110 HB3 -0.06 0.01 0.12 -0.04 1.64 1.66 1mx9B1 LEU 2110 HG -0.11 0.17 -0.16 -0.04 1.64 1.50 1mx9B1 LEU 2110 HD13 -0.09 -0.04 -0.11 -0.04 0.93 0.65 1mx9B1 LEU 2110 HD23 -0.11 0.07 -0.18 -0.04 0.89 0.62 1mx9B1 LYS 2111 H -0.06 0.24 0.16 -0.55 8.42 8.20 1mx9B1 LYS 2111 HA -0.05 0.13 0.86 -0.75 4.32 4.51 1mx9B1 LYS 2111 HB2 -0.06 0.04 0.03 -0.04 1.87 1.84 1mx9B1 LYS 2111 HB3 -0.07 0.09 -0.06 -0.04 1.79 1.72 1mx9B1 LYS 2111 HG2 -0.05 0.02 -0.01 -0.04 1.46 1.38 1mx9B1 LYS 2111 HG3 -0.05 -0.05 0.09 -0.04 1.46 1.41 1mx9B1 LYS 2111 HD2 -0.04 0.10 -0.23 -0.04 1.69 1.49 1mx9B1 LYS 2111 HD3 -0.03 0.03 -0.16 -0.04 1.68 1.47 1mx9B1 LYS 2111 HE2 -0.03 -0.04 0.00 -0.04 2.99 2.88 1mx9B1 LYS 2111 HE3 -0.03 0.00 -0.06 -0.04 2.99 2.86 1mx9B1 LEU 2112 H -0.06 0.09 0.16 -0.55 8.37 8.02 1mx9B1 LEU 2112 HA -0.11 0.40 0.64 -0.75 4.35 4.53 1mx9B1 LEU 2112 HB2 -0.08 -0.05 0.06 -0.04 1.64 1.53 1mx9B1 LEU 2112 HB3 -0.13 -0.10 0.02 -0.04 1.64 1.39 1mx9B1 LEU 2112 HG -0.06 -0.02 -0.01 -0.04 1.64 1.52 1mx9B1 LEU 2112 HD13 -0.04 -0.03 0.07 -0.04 0.93 0.89 1mx9B1 LEU 2112 HD23 -0.08 -0.02 -0.11 -0.04 0.89 0.64 1mx9B1 SER 2113 H -0.19 0.28 0.07 -0.55 8.46 8.07 1mx9B1 SER 2113 HA -0.14 -0.07 0.37 -0.75 4.49 3.90 1mx9B1 SER 2113 HB2 -0.09 0.33 -0.03 -0.04 3.95 4.11 1mx9B1 SER 2113 HB3 -0.09 0.18 -0.29 -0.04 3.93 3.68 1mx9B1 GLU 2114 H -0.17 0.15 0.12 -0.55 8.60 8.15 1mx9B1 GLU 2114 HA -0.39 0.05 0.51 -0.75 4.29 3.72 1mx9B1 GLU 2114 HB2 -0.12 -0.02 0.05 -0.04 2.09 1.96 1mx9B1 GLU 2114 HB3 -0.15 0.18 0.03 -0.04 1.99 2.00 1mx9B1 GLU 2114 HG2 -0.66 0.05 0.06 -0.04 2.34 1.75 1mx9B1 GLU 2114 HG3 -0.33 -0.14 0.06 -0.04 2.34 1.89 1mx9B1 ASP 2115 H -0.09 0.01 -0.25 -0.55 8.40 7.52 1mx9B1 ASP 2115 HA -0.07 0.06 0.48 -0.75 4.63 4.35 1mx9B1 ASP 2115 HB2 -0.03 -0.03 0.04 -0.04 2.71 2.65 1mx9B1 ASP 2115 HB3 -0.02 -0.02 0.12 -0.04 2.70 2.74 1mx9B1 CYS 2116 H -0.09 0.23 0.01 -0.55 8.50 8.10 1mx9B1 CYS 2116 HA 0.23 0.25 0.64 -0.75 4.58 4.94 1mx9B1 CYS 2116 HB2 -0.02 -0.02 -0.13 -0.04 2.97 2.76 1mx9B1 CYS 2116 HB3 -0.08 0.24 -0.59 -0.04 2.97 2.49 1mx9B1 LEU 2117 H -0.29 0.06 -0.01 -0.55 8.37 7.58 1mx9B1 LEU 2117 HA -0.24 0.19 0.56 -0.75 4.35 4.11 1mx9B1 LEU 2117 HB2 -0.65 0.05 0.08 -0.04 1.64 1.08 1mx9B1 LEU 2117 HB3 -1.33 0.05 0.04 -0.04 1.64 0.36 1mx9B1 LEU 2117 HG -0.22 -0.11 0.04 -0.04 1.64 1.30 1mx9B1 LEU 2117 HD13 -0.20 0.06 -0.01 -0.04 0.93 0.74 1mx9B1 LEU 2117 HD23 -0.03 0.00 -0.09 -0.04 0.89 0.73 1mx9B1 TYR 2118 H 0.10 0.46 0.13 -0.55 8.29 8.43 1mx9B1 TYR 2118 HA -0.07 0.28 0.79 -0.75 4.56 4.80 1mx9B1 TYR 2118 HB2 -0.03 -0.01 -0.08 -0.04 3.06 2.91 1mx9B1 TYR 2118 HB3 -0.05 -0.14 -0.07 -0.04 2.98 2.68 1mx9B1 TYR 2118 HD2 -0.11 0.08 -0.63 -0.04 7.15 6.45 1mx9B1 TYR 2118 HE2 -0.13 0.05 -0.33 -0.04 6.85 6.39 1mx9B1 LEU 2119 H 0.09 0.36 0.28 -0.55 8.37 8.55 1mx9B1 LEU 2119 HA 0.09 0.17 0.84 -0.75 4.35 4.69 1mx9B1 LEU 2119 HB2 -0.10 0.05 0.00 -0.04 1.64 1.55 1mx9B1 LEU 2119 HB3 -0.08 0.02 -0.09 -0.04 1.64 1.45 1mx9B1 LEU 2119 HG -0.44 0.12 -0.04 -0.04 1.64 1.24 1mx9B1 LEU 2119 HD13 -0.58 -0.02 -0.30 -0.04 0.93 -0.00 1mx9B1 LEU 2119 HD23 -0.74 -0.00 -0.14 -0.04 0.89 -0.03 1mx9B1 ASN 2120 H 0.10 0.63 0.39 -0.55 8.53 9.11 1mx9B1 ASN 2120 HA 0.01 0.28 1.17 -0.75 4.76 5.47 1mx9B1 ASN 2120 HB2 0.28 -0.03 0.12 -0.04 2.88 3.21 1mx9B1 ASN 2120 HB3 0.05 0.08 0.06 -0.04 2.79 2.94 1mx9B1 ASN 2120 HD21 0.18 -0.07 -0.09 -0.04 7.03 7.00 1mx9B1 ASN 2120 HD22 0.24 0.09 -0.17 -0.04 7.74 7.85 1mx9B1 ILE 2121 H -0.03 0.61 0.39 -0.55 8.25 8.67 1mx9B1 ILE 2121 HA 0.13 0.26 1.10 -0.75 4.18 4.91 1mx9B1 ILE 2121 HB -0.08 -0.03 0.13 -0.04 1.89 1.87 1mx9B1 ILE 2121 HG12 -0.16 0.04 -0.15 -0.04 1.49 1.18 1mx9B1 ILE 2121 HG13 -0.18 -0.09 -0.46 -0.04 1.21 0.43 1mx9B1 ILE 2121 HG23 -0.10 0.01 -0.16 -0.04 0.93 0.63 1mx9B1 ILE 2121 HD13 -0.87 0.00 -0.15 -0.04 0.88 -0.18 1mx9B1 TYR 2122 H 0.33 0.80 0.29 -0.55 8.29 9.17 1mx9B1 TYR 2122 HA 0.17 0.21 0.88 -0.75 4.56 5.06 1mx9B1 TYR 2122 HB2 0.12 0.00 0.17 -0.04 3.06 3.30 1mx9B1 TYR 2122 HB3 0.10 0.00 -0.13 -0.04 2.98 2.91 1mx9B1 TYR 2122 HD2 0.10 0.12 -0.24 -0.04 7.15 7.09 1mx9B1 TYR 2122 HE2 0.10 0.04 -0.09 -0.04 6.85 6.85 1mx9B1 THR 2123 H 0.28 0.61 0.18 -0.55 8.28 8.80 1mx9B1 THR 2123 HA 0.20 0.26 1.23 -0.75 4.39 5.32 1mx9B1 THR 2123 HB 0.26 -0.04 -0.01 -0.04 4.32 4.49 1mx9B1 THR 2123 HG23 0.40 0.00 0.14 -0.04 1.22 1.73 1mx9B1 PRO 2124 HA 0.12 0.13 0.47 -0.51 4.44 4.65 1mx9B1 PRO 2124 HB2 0.07 0.02 -0.04 -0.04 2.28 2.29 1mx9B1 PRO 2124 HB3 0.06 -0.01 -0.26 -0.04 2.02 1.76 1mx9B1 PRO 2124 HG2 0.09 0.02 -0.26 -0.04 2.03 1.84 1mx9B1 PRO 2124 HG3 0.07 0.06 -0.20 -0.04 2.03 1.92 1mx9B1 PRO 2124 HD2 0.14 0.04 0.01 -0.04 3.68 3.82 1mx9B1 PRO 2124 HD3 0.13 0.24 0.06 -0.04 3.65 4.03 1mx9B1 ALA 2125 H 0.15 0.03 -0.34 -0.55 8.40 7.69 1mx9B1 ALA 2125 HA 0.09 0.05 0.28 -0.75 4.34 4.01 1mx9B1 ALA 2125 HB3 0.12 0.04 -0.04 -0.04 1.41 1.48 1mx9B1 ASP 2126 H 0.08 0.15 -0.01 -0.55 8.40 8.07 1mx9B1 ASP 2126 HA 0.11 0.19 0.71 -0.75 4.63 4.89 1mx9B1 ASP 2126 HB2 0.05 0.09 0.06 -0.04 2.71 2.87 1mx9B1 ASP 2126 HB3 0.05 -0.02 0.15 -0.04 2.70 2.84 1mx9B1 LEU 2127 H 0.18 0.34 -0.14 -0.55 8.37 8.20 1mx9B1 LEU 2127 HA 0.08 0.12 0.22 -0.75 4.35 4.01 1mx9B1 LEU 2127 HB2 0.17 -0.04 0.01 -0.04 1.64 1.74 1mx9B1 LEU 2127 HB3 0.07 0.05 0.05 -0.04 1.64 1.78 1mx9B1 LEU 2127 HG 0.20 0.07 -0.06 -0.04 1.64 1.81 1mx9B1 LEU 2127 HD13 0.19 -0.01 -0.04 -0.04 0.93 1.03 1mx9B1 LEU 2127 HD23 0.08 0.05 -0.15 -0.04 0.89 0.82 1mx9B1 THR 2128 H 0.09 -0.04 -0.75 -0.55 8.28 7.03 1mx9B1 THR 2128 HA 0.05 0.12 0.49 -0.75 4.39 4.29 1mx9B1 THR 2128 HB 0.04 -0.02 0.13 -0.04 4.32 4.42 1mx9B1 THR 2128 HG23 0.07 -0.01 -0.04 -0.04 1.22 1.20 1mx9B1 LYS 2129 H 0.05 0.62 -0.29 -0.55 8.42 8.24 1mx9B1 LYS 2129 HA 0.02 0.13 0.75 -0.75 4.32 4.47 1mx9B1 LYS 2129 HB2 0.04 0.06 -0.01 -0.04 1.87 1.91 1mx9B1 LYS 2129 HB3 0.02 -0.12 0.09 -0.04 1.79 1.75 1mx9B1 LYS 2129 HG2 0.02 0.03 -0.00 -0.04 1.46 1.47 1mx9B1 LYS 2129 HG3 0.03 -0.07 -0.42 -0.04 1.46 0.96 1mx9B1 LYS 2129 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.62 1mx9B1 LYS 2129 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.64 1mx9B1 LYS 2129 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.94 1mx9B1 LYS 2129 HE3 0.02 -0.01 -0.06 -0.04 2.99 2.90 1mx9B1 LYS 2130 H 0.02 0.13 0.07 -0.55 8.42 8.08 1mx9B1 LYS 2130 HA 0.02 0.26 0.95 -0.75 4.32 4.79 1mx9B1 LYS 2130 HB2 0.01 -0.04 0.03 -0.04 1.87 1.82 1mx9B1 LYS 2130 HB3 0.01 -0.04 0.17 -0.04 1.79 1.89 1mx9B1 LYS 2130 HG2 0.01 0.14 -0.01 -0.04 1.46 1.56 1mx9B1 LYS 2130 HG3 0.00 -0.02 -0.02 -0.04 1.46 1.38 1mx9B1 LYS 2130 HD2 0.00 0.01 -0.06 -0.04 1.69 1.60 1mx9B1 LYS 2130 HD3 0.00 -0.07 -0.03 -0.04 1.68 1.54 1mx9B1 LYS 2130 HE2 0.01 -0.05 -0.25 -0.04 2.99 2.66 1mx9B1 LYS 2130 HE3 0.01 0.13 -0.40 -0.04 2.99 2.69 1mx9B1 ASN 2131 H 0.04 0.28 0.06 -0.55 8.53 8.36 1mx9B1 ASN 2131 HA 0.03 0.13 0.82 -0.75 4.76 4.99 1mx9B1 ASN 2131 HB2 0.06 -0.01 0.07 -0.04 2.88 2.96 1mx9B1 ASN 2131 HB3 0.05 0.05 0.05 -0.04 2.79 2.91 1mx9B1 ASN 2131 HD21 0.04 -0.03 -0.07 -0.04 7.03 6.94 1mx9B1 ASN 2131 HD22 0.04 0.07 -0.02 -0.04 7.74 7.79 1mx9B1 ARG 2132 H 0.03 0.14 -0.04 -0.55 8.46 8.03 1mx9B1 ARG 2132 HA 0.04 0.23 0.28 -0.75 4.34 4.13 1mx9B1 ARG 2132 HB2 0.01 -0.03 0.08 -0.04 1.90 1.93 1mx9B1 ARG 2132 HB3 0.01 -0.03 0.06 -0.04 1.80 1.80 1mx9B1 ARG 2132 HG2 0.02 -0.07 -0.58 -0.04 1.67 1.00 1mx9B1 ARG 2132 HG3 0.01 -0.04 -0.11 -0.04 1.67 1.49 1mx9B1 ARG 2132 HD2 0.00 -0.08 -0.05 -0.04 3.22 3.06 1mx9B1 ARG 2132 HD3 0.01 0.03 -0.01 -0.04 3.22 3.21 1mx9B1 LEU 2133 H 0.06 0.69 -0.03 -0.55 8.37 8.54 1mx9B1 LEU 2133 HA 0.04 0.09 0.50 -0.75 4.35 4.22 1mx9B1 LEU 2133 HB2 0.08 -0.04 0.01 -0.04 1.64 1.65 1mx9B1 LEU 2133 HB3 0.06 0.19 0.14 -0.04 1.64 1.99 1mx9B1 LEU 2133 HG 0.06 -0.11 0.04 -0.04 1.64 1.59 1mx9B1 LEU 2133 HD13 0.08 -0.02 -0.17 -0.04 0.93 0.78 1mx9B1 LEU 2133 HD23 0.05 0.05 0.03 -0.04 0.89 0.97 1mx9B1 PRO 2134 HA 0.04 0.13 0.64 -0.51 4.44 4.73 1mx9B1 PRO 2134 HB2 0.02 0.02 -0.10 -0.04 2.28 2.17 1mx9B1 PRO 2134 HB3 0.00 0.08 0.08 -0.04 2.02 2.15 1mx9B1 PRO 2134 HG2 0.03 -0.01 0.13 -0.04 2.03 2.13 1mx9B1 PRO 2134 HG3 0.01 0.04 0.08 -0.04 2.03 2.13 1mx9B1 PRO 2134 HD2 0.04 0.16 0.33 -0.04 3.68 4.17 1mx9B1 PRO 2134 HD3 0.02 0.13 0.22 -0.04 3.65 3.98 1mx9B1 VAL 2135 H 0.07 0.56 0.28 -0.55 8.24 8.60 1mx9B1 VAL 2135 HA 0.10 0.25 0.97 -0.75 4.13 4.70 1mx9B1 VAL 2135 HB 0.11 -0.05 0.04 -0.04 2.12 2.18 1mx9B1 VAL 2135 HG13 0.13 -0.02 -0.23 -0.04 0.97 0.81 1mx9B1 VAL 2135 HG23 0.09 0.02 -0.19 -0.04 0.95 0.83 1mx9B1 MET 2136 H 0.13 0.68 0.32 -0.55 8.47 9.05 1mx9B1 MET 2136 HA 0.12 0.26 1.10 -0.75 4.52 5.25 1mx9B1 MET 2136 HB2 0.10 -0.04 0.11 -0.04 2.15 2.28 1mx9B1 MET 2136 HB3 -0.13 -0.06 -0.05 -0.04 2.03 1.74 1mx9B1 MET 2136 HG2 -0.13 0.04 -0.13 -0.04 2.63 2.37 1mx9B1 MET 2136 HG3 -0.01 0.04 -0.36 -0.04 2.56 2.19 1mx9B1 MET 2136 HE3 -0.64 0.01 -0.21 -0.04 2.10 1.22 1mx9B1 VAL 2137 H 0.30 0.89 0.38 -0.55 8.24 9.25 1mx9B1 VAL 2137 HA 0.27 0.22 1.09 -0.75 4.13 4.96 1mx9B1 VAL 2137 HB 0.11 -0.02 0.14 -0.04 2.12 2.32 1mx9B1 VAL 2137 HG13 0.05 -0.01 -0.16 -0.04 0.97 0.81 1mx9B1 VAL 2137 HG23 0.13 0.01 -0.16 -0.04 0.95 0.89 1mx9B1 TRP 2138 H 0.40 0.72 0.42 -0.55 7.97 8.96 1mx9B1 TRP 2138 HA -0.50 0.41 0.85 -0.75 4.62 4.63 1mx9B1 TRP 2138 HB2 -0.22 0.01 0.02 -0.04 3.23 3.00 1mx9B1 TRP 2138 HB3 -0.03 0.00 0.25 -0.04 3.23 3.41 1mx9B1 TRP 2138 HD1 -0.32 -0.01 -0.04 -0.04 7.22 6.81 1mx9B1 TRP 2138 HE1 -2.01 -0.05 -0.05 -0.04 10.20 8.04 1mx9B1 TRP 2138 HE3 -2.49 0.13 -0.24 -0.04 7.59 4.94 1mx9B1 TRP 2138 HZ2 -0.38 -0.07 -0.07 -0.04 7.44 6.88 1mx9B1 TRP 2138 HZ3 -0.15 0.01 -0.30 -0.04 7.13 6.65 1mx9B1 TRP 2138 HH2 -0.05 -0.09 -0.20 -0.04 7.19 6.82 1mx9B1 ILE 2139 H -1.01 0.48 0.39 -0.55 8.25 7.56 1mx9B1 ILE 2139 HA -0.24 0.17 0.94 -0.75 4.18 4.29 1mx9B1 ILE 2139 HB -0.47 -0.04 0.18 -0.04 1.89 1.52 1mx9B1 ILE 2139 HG12 -0.18 0.05 -0.32 -0.04 1.49 1.00 1mx9B1 ILE 2139 HG13 -0.25 0.17 -0.15 -0.04 1.21 0.95 1mx9B1 ILE 2139 HG23 -0.37 0.01 -0.06 -0.04 0.93 0.47 1mx9B1 ILE 2139 HD13 -0.23 -0.01 -0.14 -0.04 0.88 0.46 1mx9B1 HIS 2140 H -0.08 0.27 0.07 -0.55 8.41 8.13 1mx9B1 HIS 2140 HA -0.68 -0.05 0.41 -0.75 4.63 3.56 1mx9B1 HIS 2140 HB2 0.18 -0.07 0.17 -0.04 3.26 3.50 1mx9B1 HIS 2140 HB3 -0.02 0.07 0.11 -0.04 3.20 3.32 1mx9B1 HIS 2140 HD2 0.11 0.19 0.03 -0.04 6.97 7.26 1mx9B1 HIS 2140 HE1 -0.15 0.18 -0.45 -0.04 7.75 7.28 1mx9B1 GLY 2141 H 0.18 0.10 0.20 -0.55 8.43 8.36 1mx9B1 GLY 2141 HA2 -0.08 0.14 0.89 -0.51 4.01 4.45 1mx9B1 GLY 2141 HA3 0.08 -0.03 0.50 -0.51 4.01 4.05 1mx9B1 GLY 2142 H 0.10 -0.25 0.34 -0.55 8.43 8.07 1mx9B1 GLY 2142 HA2 0.12 0.07 0.28 -0.51 4.01 3.97 1mx9B1 GLY 2142 HA3 0.12 0.39 0.72 -0.51 4.01 4.73 1mx9B1 GLY 2143 H 0.04 -0.21 0.29 -0.55 8.43 8.00 1mx9B1 GLY 2143 HA2 -0.03 0.06 0.38 -0.51 4.01 3.91 1mx9B1 GLY 2143 HA3 -0.02 0.19 0.48 -0.51 4.01 4.15 1mx9B1 LEU 2144 H 0.00 0.04 -0.34 -0.55 8.37 7.52 1mx9B1 LEU 2144 HA 0.13 0.10 0.20 -0.75 4.35 4.02 1mx9B1 LEU 2144 HB2 -0.36 0.35 0.25 -0.04 1.64 1.84 1mx9B1 LEU 2144 HB3 -0.62 0.03 0.21 -0.04 1.64 1.22 1mx9B1 LEU 2144 HG -0.19 -0.21 -0.33 -0.04 1.64 0.87 1mx9B1 LEU 2144 HD13 -0.71 0.02 -0.02 -0.04 0.93 0.18 1mx9B1 LEU 2144 HD23 -0.02 0.02 -0.07 -0.04 0.89 0.78 1mx9B1 MET 2145 H 0.02 0.15 -0.47 -0.55 8.47 7.62 1mx9B1 MET 2145 HA 0.09 -0.00 0.94 -0.75 4.52 4.80 1mx9B1 MET 2145 HB2 0.04 0.10 0.06 -0.04 2.15 2.31 1mx9B1 MET 2145 HB3 0.08 -0.06 0.03 -0.04 2.03 2.04 1mx9B1 MET 2145 HG2 -0.07 0.21 -0.11 -0.04 2.63 2.61 1mx9B1 MET 2145 HG3 -0.02 0.03 0.05 -0.04 2.56 2.58 1mx9B1 MET 2145 HE3 0.10 -0.01 0.07 -0.04 2.10 2.22 1mx9B1 VAL 2146 H 0.06 0.21 0.14 -0.55 8.24 8.10 1mx9B1 VAL 2146 HA 0.05 0.24 0.78 -0.75 4.13 4.44 1mx9B1 VAL 2146 HB 0.03 -0.10 0.09 -0.04 2.12 2.10 1mx9B1 VAL 2146 HG13 0.05 -0.02 -0.26 -0.04 0.97 0.70 1mx9B1 VAL 2146 HG23 0.04 0.06 -0.04 -0.04 0.95 0.97 1mx9B1 GLY 2147 H 0.04 0.08 0.09 -0.55 8.43 8.09 1mx9B1 GLY 2147 HA2 0.12 -0.03 0.39 -0.51 4.01 3.98 1mx9B1 GLY 2147 HA3 0.39 0.37 0.88 -0.51 4.01 5.14 1mx9B1 ALA 2148 H -0.10 0.23 0.19 -0.55 8.40 8.18 1mx9B1 ALA 2148 HA -0.39 0.20 0.70 -0.75 4.34 4.10 1mx9B1 ALA 2148 HB3 -0.11 0.00 -0.06 -0.04 1.41 1.20 1mx9B1 ALA 2149 H -0.11 0.19 0.10 -0.55 8.40 8.03 1mx9B1 ALA 2149 HA 0.11 0.16 0.68 -0.75 4.34 4.54 1mx9B1 ALA 2149 HB3 0.10 0.06 -0.21 -0.04 1.41 1.32 1mx9B1 SER 2150 H 0.00 0.08 -0.01 -0.55 8.46 7.99 1mx9B1 SER 2150 HA 0.08 0.13 0.26 -0.75 4.49 4.21 1mx9B1 SER 2150 HB2 -0.10 -0.03 -0.04 -0.04 3.95 3.74 1mx9B1 SER 2150 HB3 -0.34 0.05 -0.06 -0.04 3.93 3.54 1mx9B1 THR 2151 H -0.05 0.00 -0.69 -0.55 8.28 6.99 1mx9B1 THR 2151 HA -0.24 0.02 0.31 -0.75 4.39 3.72 1mx9B1 THR 2151 HB -0.24 0.10 -0.07 -0.04 4.32 4.07 1mx9B1 THR 2151 HG23 -0.53 0.01 -0.10 -0.04 1.22 0.56 1mx9B1 TYR 2152 H 0.11 0.48 -0.41 -0.55 8.29 7.93 1mx9B1 TYR 2152 HA -0.49 0.03 0.78 -0.75 4.56 4.13 1mx9B1 TYR 2152 HB2 -0.39 0.08 0.12 -0.04 3.06 2.83 1mx9B1 TYR 2152 HB3 -1.46 0.02 -0.11 -0.04 2.98 1.39 1mx9B1 TYR 2152 HD2 -0.76 0.09 -0.04 -0.04 7.15 6.40 1mx9B1 TYR 2152 HE2 0.03 0.02 -0.01 -0.04 6.85 6.85 1mx9B1 ASP 2153 H -0.28 0.10 0.12 -0.55 8.40 7.80 1mx9B1 ASP 2153 HA -0.15 0.10 0.53 -0.75 4.63 4.36 1mx9B1 ASP 2153 HB2 -0.09 0.05 0.04 -0.04 2.71 2.67 1mx9B1 ASP 2153 HB3 -0.11 0.03 0.06 -0.04 2.70 2.64 1mx9B1 GLY 2154 H -1.59 0.20 0.10 -0.55 8.43 6.60 1mx9B1 GLY 2154 HA2 -0.12 0.18 0.64 -0.51 4.01 4.20 1mx9B1 GLY 2154 HA3 -0.62 0.10 0.25 -0.51 4.01 3.24 1mx9B1 LEU 2155 H -0.20 0.09 -0.19 -0.55 8.37 7.52 1mx9B1 LEU 2155 HA 0.11 0.10 0.32 -0.75 4.35 4.13 1mx9B1 LEU 2155 HB2 0.20 -0.01 0.03 -0.04 1.64 1.82 1mx9B1 LEU 2155 HB3 0.04 -0.02 0.00 -0.04 1.64 1.62 1mx9B1 LEU 2155 HG 0.10 0.02 -0.11 -0.04 1.64 1.60 1mx9B1 LEU 2155 HD13 0.01 0.01 -0.28 -0.04 0.93 0.63 1mx9B1 LEU 2155 HD23 0.06 0.01 -0.07 -0.04 0.89 0.85 1mx9B1 ALA 2156 H -0.03 0.14 -0.26 -0.55 8.40 7.69 1mx9B1 ALA 2156 HA -0.11 0.09 0.32 -0.75 4.34 3.88 1mx9B1 ALA 2156 HB3 0.04 0.06 -0.05 -0.04 1.41 1.42 1mx9B1 LEU 2157 H -0.04 0.10 -0.29 -0.55 8.37 7.59 1mx9B1 LEU 2157 HA -0.08 0.09 0.41 -0.75 4.35 4.02 1mx9B1 LEU 2157 HB2 -0.15 0.07 0.05 -0.04 1.64 1.57 1mx9B1 LEU 2157 HB3 -0.05 -0.02 0.09 -0.04 1.64 1.62 1mx9B1 LEU 2157 HG -0.03 0.04 -0.26 -0.04 1.64 1.35 1mx9B1 LEU 2157 HD13 -0.06 -0.01 -0.04 -0.04 0.93 0.78 1mx9B1 LEU 2157 HD23 -0.21 0.03 -0.09 -0.04 0.89 0.57 1mx9B1 ALA 2158 H -0.01 0.44 -0.01 -0.55 8.40 8.27 1mx9B1 ALA 2158 HA 0.04 0.17 0.45 -0.75 4.34 4.25 1mx9B1 ALA 2158 HB3 0.09 -0.03 0.11 -0.04 1.41 1.54 1mx9B1 ALA 2159 H -0.11 0.45 -0.29 -0.55 8.40 7.90 1mx9B1 ALA 2159 HA -0.13 0.05 0.36 -0.75 4.34 3.86 1mx9B1 ALA 2159 HB3 -0.57 -0.01 0.04 -0.04 1.41 0.83 1mx9B1 HIS 2160 H -0.13 0.35 -0.29 -0.55 8.41 7.79 1mx9B1 HIS 2160 HA 0.10 0.05 0.59 -0.75 4.63 4.61 1mx9B1 HIS 2160 HB2 -0.24 0.34 0.22 -0.04 3.26 3.54 1mx9B1 HIS 2160 HB3 -0.10 -0.04 -0.07 -0.04 3.20 2.94 1mx9B1 HIS 2160 HD2 -0.71 0.03 -0.02 -0.04 6.97 6.23 1mx9B1 HIS 2160 HE1 0.01 -0.06 -0.02 -0.04 7.75 7.64 1mx9B1 GLU 2161 H 0.03 0.69 0.02 -0.55 8.60 8.80 1mx9B1 GLU 2161 HA 0.07 0.19 0.85 -0.75 4.29 4.65 1mx9B1 GLU 2161 HB2 0.02 0.04 -0.03 -0.04 2.09 2.09 1mx9B1 GLU 2161 HB3 0.04 -0.01 0.00 -0.04 1.99 1.98 1mx9B1 GLU 2161 HG2 0.02 -0.06 -0.21 -0.04 2.34 2.05 1mx9B1 GLU 2161 HG3 0.04 0.09 -0.16 -0.04 2.34 2.26 1mx9B1 ASN 2162 H 0.03 0.33 -0.22 -0.55 8.53 8.13 1mx9B1 ASN 2162 HA 0.05 0.05 0.29 -0.75 4.76 4.40 1mx9B1 ASN 2162 HB2 0.06 -0.02 -0.20 -0.04 2.88 2.68 1mx9B1 ASN 2162 HB3 0.05 0.17 0.15 -0.04 2.79 3.12 1mx9B1 ASN 2162 HD21 0.05 -0.09 0.00 -0.04 7.03 6.95 1mx9B1 ASN 2162 HD22 0.04 0.01 0.03 -0.04 7.74 7.78 1mx9B1 VAL 2163 H 0.05 0.23 0.01 -0.55 8.24 7.98 1mx9B1 VAL 2163 HA 0.06 0.23 0.87 -0.75 4.13 4.54 1mx9B1 VAL 2163 HB 0.05 0.09 -0.12 -0.04 2.12 2.10 1mx9B1 VAL 2163 HG13 0.03 0.04 -0.19 -0.04 0.97 0.82 1mx9B1 VAL 2163 HG23 0.02 -0.07 -0.24 -0.04 0.95 0.63 1mx9B1 VAL 2164 H 0.09 0.45 0.10 -0.55 8.24 8.32 1mx9B1 VAL 2164 HA 0.15 0.16 0.75 -0.75 4.13 4.44 1mx9B1 VAL 2164 HB 0.12 0.02 -0.02 -0.04 2.12 2.20 1mx9B1 VAL 2164 HG13 0.14 -0.03 -0.30 -0.04 0.97 0.75 1mx9B1 VAL 2164 HG23 0.14 -0.03 -0.22 -0.04 0.95 0.81 1mx9B1 VAL 2165 H 0.20 0.59 0.41 -0.55 8.24 8.88 1mx9B1 VAL 2165 HA 0.20 0.22 0.97 -0.75 4.13 4.77 1mx9B1 VAL 2165 HB 0.16 -0.08 0.18 -0.04 2.12 2.34 1mx9B1 VAL 2165 HG13 0.23 -0.02 -0.11 -0.04 0.97 1.03 1mx9B1 VAL 2165 HG23 0.08 0.03 -0.02 -0.04 0.95 1.00 1mx9B1 VAL 2166 H 0.28 0.72 0.42 -0.55 8.24 9.11 1mx9B1 VAL 2166 HA 0.22 0.30 1.12 -0.75 4.13 5.02 1mx9B1 VAL 2166 HB 0.16 0.00 0.07 -0.04 2.12 2.31 1mx9B1 VAL 2166 HG13 0.05 -0.01 -0.25 -0.04 0.97 0.73 1mx9B1 VAL 2166 HG23 0.10 -0.01 -0.23 -0.04 0.95 0.76 1mx9B1 THR 2167 H 0.23 0.59 0.35 -0.55 8.28 8.90 1mx9B1 THR 2167 HA 0.30 0.17 1.09 -0.75 4.39 5.20 1mx9B1 THR 2167 HB 0.28 -0.01 0.12 -0.04 4.32 4.67 1mx9B1 THR 2167 HG23 0.18 0.06 -0.10 -0.04 1.22 1.32 1mx9B1 ILE 2168 H 0.14 0.59 0.32 -0.55 8.25 8.74 1mx9B1 ILE 2168 HA 0.09 0.22 1.25 -0.75 4.18 4.98 1mx9B1 ILE 2168 HB -0.11 0.07 0.08 -0.04 1.89 1.89 1mx9B1 ILE 2168 HG12 0.02 0.19 0.08 -0.04 1.49 1.74 1mx9B1 ILE 2168 HG13 0.19 -0.09 -0.42 -0.04 1.21 0.85 1mx9B1 ILE 2168 HG23 -0.05 0.02 -0.16 -0.04 0.93 0.70 1mx9B1 ILE 2168 HD13 -0.08 0.00 -0.10 -0.04 0.88 0.66 1mx9B1 GLN 2169 H 0.26 0.49 0.33 -0.55 8.47 9.01 1mx9B1 GLN 2169 HA 0.19 0.09 0.91 -0.75 4.36 4.79 1mx9B1 GLN 2169 HB2 0.16 0.15 0.22 -0.04 2.15 2.63 1mx9B1 GLN 2169 HB3 0.05 0.04 0.05 -0.04 2.02 2.12 1mx9B1 GLN 2169 HG2 -0.11 -0.02 0.04 -0.04 2.40 2.27 1mx9B1 GLN 2169 HG3 0.05 -0.04 -0.22 -0.04 2.39 2.14 1mx9B1 GLN 2169 HE21 0.01 0.57 0.20 -0.04 6.97 7.71 1mx9B1 GLN 2169 HE22 0.05 0.21 0.13 -0.04 7.69 8.04 1mx9B1 TYR 2170 H -0.21 0.24 0.10 -0.55 8.29 7.87 1mx9B1 TYR 2170 HA 0.16 0.14 0.74 -0.75 4.56 4.84 1mx9B1 TYR 2170 HB2 0.05 0.13 0.12 -0.04 3.06 3.31 1mx9B1 TYR 2170 HB3 0.09 0.02 -0.13 -0.04 2.98 2.92 1mx9B1 TYR 2170 HD2 0.09 0.07 -0.27 -0.04 7.15 7.00 1mx9B1 TYR 2170 HE2 -0.15 -0.05 -0.12 -0.04 6.85 6.49 1mx9B1 ARG 2171 H 0.13 0.15 0.09 -0.55 8.46 8.27 1mx9B1 ARG 2171 HA -0.01 -0.02 0.35 -0.75 4.34 3.91 1mx9B1 ARG 2171 HB2 0.08 -0.02 0.02 -0.04 1.90 1.93 1mx9B1 ARG 2171 HB3 0.12 0.04 -0.29 -0.04 1.80 1.63 1mx9B1 ARG 2171 HG2 -0.02 -0.03 0.01 -0.04 1.67 1.59 1mx9B1 ARG 2171 HG3 -0.00 -0.04 0.02 -0.04 1.67 1.61 1mx9B1 ARG 2171 HD2 0.06 0.12 -0.03 -0.04 3.22 3.32 1mx9B1 ARG 2171 HD3 -0.04 0.04 0.05 -0.04 3.22 3.23 1mx9B1 LEU 2172 H 0.04 0.06 0.11 -0.55 8.37 8.03 1mx9B1 LEU 2172 HA 0.37 0.23 0.78 -0.75 4.35 4.98 1mx9B1 LEU 2172 HB2 0.07 0.10 -0.11 -0.04 1.64 1.65 1mx9B1 LEU 2172 HB3 0.13 -0.08 -0.30 -0.04 1.64 1.35 1mx9B1 LEU 2172 HG -0.11 0.05 -0.12 -0.04 1.64 1.42 1mx9B1 LEU 2172 HD13 0.01 0.02 -0.37 -0.04 0.93 0.55 1mx9B1 LEU 2172 HD23 -0.18 -0.04 -0.34 -0.04 0.89 0.29 1mx9B1 GLY 2173 H 0.28 0.91 0.48 -0.55 8.43 9.55 1mx9B1 GLY 2173 HA2 0.18 0.15 0.42 -0.51 4.01 4.24 1mx9B1 GLY 2173 HA3 0.30 -0.06 0.45 -0.51 4.01 4.19 1mx9B1 ILE 2174 H 0.28 0.14 0.17 -0.55 8.25 8.29 1mx9B1 ILE 2174 HA 0.24 0.05 0.37 -0.75 4.18 4.09 1mx9B1 ILE 2174 HB -0.61 -0.06 0.13 -0.04 1.89 1.31 1mx9B1 ILE 2174 HG12 0.14 0.04 0.05 -0.04 1.49 1.67 1mx9B1 ILE 2174 HG13 0.15 -0.05 0.12 -0.04 1.21 1.39 1mx9B1 ILE 2174 HG23 -0.19 0.02 -0.11 -0.04 0.93 0.60 1mx9B1 ILE 2174 HD13 -0.06 0.04 -0.02 -0.04 0.88 0.80 1mx9B1 TRP 2175 H 0.71 0.11 -0.03 -0.55 7.97 8.21 1mx9B1 TRP 2175 HA 0.00 0.06 0.37 -0.75 4.62 4.30 1mx9B1 TRP 2175 HB2 0.01 0.08 0.03 -0.04 3.23 3.32 1mx9B1 TRP 2175 HB3 -0.12 0.02 0.08 -0.04 3.23 3.17 1mx9B1 TRP 2175 HD1 -0.24 0.09 0.05 -0.04 7.22 7.08 1mx9B1 TRP 2175 HE1 -0.09 -0.03 0.00 -0.04 10.20 10.04 1mx9B1 TRP 2175 HE3 0.09 0.10 -0.01 -0.04 7.59 7.72 1mx9B1 TRP 2175 HZ2 -0.01 0.07 0.06 -0.04 7.44 7.52 1mx9B1 TRP 2175 HZ3 0.08 -0.00 -0.13 -0.04 7.13 7.04 1mx9B1 TRP 2175 HH2 0.03 -0.05 -0.20 -0.04 7.19 6.94 1mx9B1 GLY 2176 H 0.45 0.46 -0.70 -0.55 8.43 8.10 1mx9B1 GLY 2176 HA2 0.12 0.00 0.44 -0.51 4.01 4.06 1mx9B1 GLY 2176 HA3 -0.04 0.12 -0.26 -0.51 4.01 3.32 1mx9B1 PHE 2177 H 0.43 0.62 0.02 -0.55 8.34 8.86 1mx9B1 PHE 2177 HA -0.05 -0.12 0.89 -0.75 4.62 4.59 1mx9B1 PHE 2177 HB2 0.01 0.05 -0.13 -0.04 3.15 3.04 1mx9B1 PHE 2177 HB3 -0.06 0.17 0.08 -0.04 3.06 3.21 1mx9B1 PHE 2177 HD2 -0.01 0.03 -0.10 -0.04 7.28 7.15 1mx9B1 PHE 2177 HE2 -0.34 -0.02 0.00 -0.04 7.38 6.98 1mx9B1 PHE 2177 HZ -0.16 -0.01 -0.10 -0.04 7.32 7.01 1mx9B1 PHE 2178 H 0.58 0.42 0.07 -0.55 8.34 8.86 1mx9B1 PHE 2178 HA 0.07 0.00 0.41 -0.75 4.62 4.35 1mx9B1 PHE 2178 HB2 0.06 -0.00 0.14 -0.04 3.15 3.31 1mx9B1 PHE 2178 HB3 -0.08 0.03 0.06 -0.04 3.06 3.03 1mx9B1 PHE 2178 HD2 -0.34 0.02 -0.09 -0.04 7.28 6.82 1mx9B1 PHE 2178 HE2 -0.13 0.03 -0.04 -0.04 7.38 7.19 1mx9B1 PHE 2178 HZ -0.09 -0.07 -0.15 -0.04 7.32 6.98 1mx9B1 SER 2179 H -0.77 0.20 0.20 -0.55 8.46 7.55 1mx9B1 SER 2179 HA -0.27 0.33 0.66 -0.75 4.49 4.47 1mx9B1 SER 2179 HB2 -0.20 0.09 -0.16 -0.04 3.95 3.64 1mx9B1 SER 2179 HB3 -0.21 -0.04 0.05 -0.04 3.93 3.68 1mx9B1 THR 2180 H -0.17 0.63 0.23 -0.55 8.28 8.42 1mx9B1 THR 2180 HA -0.23 0.19 0.83 -0.75 4.39 4.42 1mx9B1 THR 2180 HB 0.01 -0.07 0.14 -0.04 4.32 4.35 1mx9B1 THR 2180 HG23 0.02 0.04 -0.11 -0.04 1.22 1.13 1mx9B1 GLY 2181 H -0.13 0.26 -0.09 -0.55 8.43 7.92 1mx9B1 GLY 2181 HA2 -0.08 0.11 0.27 -0.51 4.01 3.80 1mx9B1 GLY 2181 HA3 -0.06 0.01 0.50 -0.51 4.01 3.95 1mx9B1 ASP 2182 H -0.02 0.02 -0.39 -0.55 8.40 7.47 1mx9B1 ASP 2182 HA -0.03 0.29 0.67 -0.75 4.63 4.80 1mx9B1 ASP 2182 HB2 -0.04 -0.09 0.12 -0.04 2.71 2.67 1mx9B1 ASP 2182 HB3 0.01 0.16 -0.16 -0.04 2.70 2.66 1mx9B1 GLU 2183 H -0.11 0.20 0.10 -0.55 8.60 8.24 1mx9B1 GLU 2183 HA -0.02 0.13 0.25 -0.75 4.29 3.89 1mx9B1 GLU 2183 HB2 -0.07 0.09 0.11 -0.04 2.09 2.17 1mx9B1 GLU 2183 HB3 -0.10 0.04 0.13 -0.04 1.99 2.02 1mx9B1 GLU 2183 HG2 -0.54 0.03 -0.27 -0.04 2.34 1.52 1mx9B1 GLU 2183 HG3 -0.19 0.05 -0.02 -0.04 2.34 2.14 1mx9B1 HIS 2184 H -0.12 -0.04 -0.50 -0.55 8.41 7.21 1mx9B1 HIS 2184 HA 0.08 0.18 0.49 -0.75 4.63 4.63 1mx9B1 HIS 2184 HB2 0.06 -0.06 -0.13 -0.04 3.26 3.09 1mx9B1 HIS 2184 HB3 0.07 0.07 -0.06 -0.04 3.20 3.24 1mx9B1 HIS 2184 HD2 0.04 0.14 -0.03 -0.04 6.97 7.08 1mx9B1 HIS 2184 HE1 0.02 0.04 0.00 -0.04 7.75 7.76 1mx9B1 SER 2185 H 0.14 0.29 -0.28 -0.55 8.46 8.06 1mx9B1 SER 2185 HA 0.53 0.27 0.46 -0.75 4.49 5.00 1mx9B1 SER 2185 HB2 0.21 0.12 -0.24 -0.04 3.95 4.00 1mx9B1 SER 2185 HB3 0.06 -0.29 0.03 -0.04 3.93 3.68 1mx9B1 ARG 2186 H 0.33 0.24 -0.03 -0.55 8.46 8.44 1mx9B1 ARG 2186 HA -0.06 -0.01 0.32 -0.75 4.34 3.84 1mx9B1 ARG 2186 HB2 -0.07 0.02 0.08 -0.04 1.90 1.89 1mx9B1 ARG 2186 HB3 -0.16 -0.01 -0.06 -0.04 1.80 1.52 1mx9B1 ARG 2186 HG2 -0.02 -0.04 -0.18 -0.04 1.67 1.39 1mx9B1 ARG 2186 HG3 0.07 -0.01 -0.05 -0.04 1.67 1.64 1mx9B1 ARG 2186 HD2 0.04 0.01 -0.06 -0.04 3.22 3.18 1mx9B1 ARG 2186 HD3 -0.04 0.02 -0.13 -0.04 3.22 3.03 1mx9B1 GLY 2187 H -1.48 0.08 -0.14 -0.55 8.43 6.34 1mx9B1 GLY 2187 HA2 -1.21 0.21 0.16 -0.51 4.01 2.66 1mx9B1 GLY 2187 HA3 -0.49 0.22 0.77 -0.51 4.01 4.00 1mx9B1 ASN 2188 H -0.40 0.29 0.17 -0.55 8.53 8.05 1mx9B1 ASN 2188 HA -0.01 0.07 0.40 -0.75 4.76 4.46 1mx9B1 ASN 2188 HB2 -0.23 0.25 0.08 -0.04 2.88 2.94 1mx9B1 ASN 2188 HB3 0.07 -0.08 0.25 -0.04 2.79 2.99 1mx9B1 ASN 2188 HD21 -0.08 0.77 0.26 -0.04 7.03 7.94 1mx9B1 ASN 2188 HD22 -0.14 -0.10 -0.06 -0.04 7.74 7.41 1mx9B1 TRP 2189 H -1.06 0.17 -0.20 -0.55 7.97 6.34 1mx9B1 TRP 2189 HA -0.02 0.04 0.25 -0.75 4.62 4.14 1mx9B1 TRP 2189 HB2 -0.12 0.11 0.13 -0.04 3.23 3.31 1mx9B1 TRP 2189 HB3 -0.01 0.05 0.01 -0.04 3.23 3.25 1mx9B1 TRP 2189 HD1 0.17 0.02 -0.45 -0.04 7.22 6.93 1mx9B1 TRP 2189 HE1 0.24 0.18 -0.09 -0.04 10.20 10.48 1mx9B1 TRP 2189 HE3 0.04 0.01 -0.32 -0.04 7.59 7.28 1mx9B1 TRP 2189 HZ2 0.07 -0.05 -0.13 -0.04 7.44 7.29 1mx9B1 TRP 2189 HZ3 0.05 0.02 -0.11 -0.04 7.13 7.05 1mx9B1 TRP 2189 HH2 0.05 -0.09 -0.04 -0.04 7.19 7.08 1mx9B1 GLY 2190 H -0.71 0.59 -0.07 -0.55 8.43 7.70 1mx9B1 GLY 2190 HA2 0.02 -0.08 0.44 -0.51 4.01 3.88 1mx9B1 GLY 2190 HA3 -0.42 0.19 0.25 -0.51 4.01 3.52 1mx9B1 HIS 2191 H -0.14 0.20 -0.28 -0.55 8.41 7.65 1mx9B1 HIS 2191 HA -0.07 0.04 0.47 -0.75 4.63 4.31 1mx9B1 HIS 2191 HB2 -0.03 0.17 0.15 -0.04 3.26 3.51 1mx9B1 HIS 2191 HB3 -0.05 0.01 -0.01 -0.04 3.20 3.11 1mx9B1 HIS 2191 HD2 0.11 -0.05 0.08 -0.04 6.97 7.06 1mx9B1 HIS 2191 HE1 -0.11 -0.03 -0.08 -0.04 7.75 7.48 1mx9B1 LEU 2192 H 0.08 0.45 -0.13 -0.55 8.37 8.23 1mx9B1 LEU 2192 HA 0.08 0.03 0.47 -0.75 4.35 4.18 1mx9B1 LEU 2192 HB2 0.20 0.15 0.16 -0.04 1.64 2.11 1mx9B1 LEU 2192 HB3 0.15 0.00 0.09 -0.04 1.64 1.84 1mx9B1 LEU 2192 HG 0.05 0.09 -0.01 -0.04 1.64 1.73 1mx9B1 LEU 2192 HD13 0.19 -0.02 -0.09 -0.04 0.93 0.97 1mx9B1 LEU 2192 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 1mx9B1 ASP 2193 H 0.13 0.37 -0.25 -0.55 8.40 8.11 1mx9B1 ASP 2193 HA 0.27 0.09 0.51 -0.75 4.63 4.74 1mx9B1 ASP 2193 HB2 0.25 0.11 0.21 -0.04 2.71 3.25 1mx9B1 ASP 2193 HB3 0.41 0.03 0.10 -0.04 2.70 3.20 1mx9B1 GLN 2194 H 0.07 0.35 -0.13 -0.55 8.47 8.21 1mx9B1 GLN 2194 HA -0.06 0.01 0.32 -0.75 4.36 3.87 1mx9B1 GLN 2194 HB2 -0.04 0.15 0.12 -0.04 2.15 2.33 1mx9B1 GLN 2194 HB3 -0.13 -0.02 -0.02 -0.04 2.02 1.81 1mx9B1 GLN 2194 HG2 -0.21 -0.06 -0.04 -0.04 2.40 2.05 1mx9B1 GLN 2194 HG3 -0.08 0.38 0.24 -0.04 2.39 2.89 1mx9B1 GLN 2194 HE21 -0.80 -0.05 -0.09 -0.04 6.97 5.99 1mx9B1 GLN 2194 HE22 -1.65 -0.01 -0.11 -0.04 7.69 5.88 1mx9B1 VAL 2195 H 0.03 0.46 -0.20 -0.55 8.24 7.97 1mx9B1 VAL 2195 HA 0.00 0.04 0.32 -0.75 4.13 3.74 1mx9B1 VAL 2195 HB 0.06 0.12 0.09 -0.04 2.12 2.34 1mx9B1 VAL 2195 HG13 0.04 -0.00 -0.16 -0.04 0.97 0.81 1mx9B1 VAL 2195 HG23 0.01 0.06 -0.02 -0.04 0.95 0.96 1mx9B1 ALA 2196 H 0.11 0.54 -0.19 -0.55 8.40 8.31 1mx9B1 ALA 2196 HA 0.14 -0.02 0.39 -0.75 4.34 4.10 1mx9B1 ALA 2196 HB3 0.31 0.05 0.17 -0.04 1.41 1.89 1mx9B1 ALA 2197 H -0.17 0.87 -0.08 -0.55 8.40 8.46 1mx9B1 ALA 2197 HA -0.58 -0.02 0.44 -0.75 4.34 3.42 1mx9B1 ALA 2197 HB3 -0.93 0.01 0.06 -0.04 1.41 0.52 1mx9B1 LEU 2198 H -0.07 0.72 -0.04 -0.55 8.37 8.44 1mx9B1 LEU 2198 HA 0.04 -0.06 0.39 -0.75 4.35 3.96 1mx9B1 LEU 2198 HB2 0.01 0.10 0.17 -0.04 1.64 1.88 1mx9B1 LEU 2198 HB3 0.05 0.06 0.05 -0.04 1.64 1.76 1mx9B1 LEU 2198 HG -0.06 0.04 -0.04 -0.04 1.64 1.54 1mx9B1 LEU 2198 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.71 1mx9B1 LEU 2198 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.83 1mx9B1 ARG 2199 H 0.08 0.52 -0.38 -0.55 8.46 8.13 1mx9B1 ARG 2199 HA 0.06 0.07 0.60 -0.75 4.34 4.31 1mx9B1 ARG 2199 HB2 0.07 0.03 0.07 -0.04 1.90 2.03 1mx9B1 ARG 2199 HB3 0.13 0.17 0.14 -0.04 1.80 2.20 1mx9B1 ARG 2199 HG2 0.08 -0.03 -0.04 -0.04 1.67 1.63 1mx9B1 ARG 2199 HG3 0.04 -0.08 0.04 -0.04 1.67 1.63 1mx9B1 ARG 2199 HD2 0.03 -0.06 -0.01 -0.04 3.22 3.14 1mx9B1 ARG 2199 HD3 0.03 0.02 0.02 -0.04 3.22 3.24 1mx9B1 TRP 2200 H 0.27 0.52 -0.01 -0.55 7.97 8.20 1mx9B1 TRP 2200 HA 0.07 -0.02 0.45 -0.75 4.62 4.36 1mx9B1 TRP 2200 HB2 0.14 0.11 0.19 -0.04 3.23 3.62 1mx9B1 TRP 2200 HB3 -0.01 0.15 0.20 -0.04 3.23 3.53 1mx9B1 TRP 2200 HD1 0.26 0.02 0.04 -0.04 7.22 7.50 1mx9B1 TRP 2200 HE1 0.32 0.00 -0.04 -0.04 10.20 10.43 1mx9B1 TRP 2200 HE3 -0.02 0.10 -0.44 -0.04 7.59 7.18 1mx9B1 TRP 2200 HZ2 0.24 -0.00 -0.13 -0.04 7.44 7.50 1mx9B1 TRP 2200 HZ3 -0.22 -0.01 -0.19 -0.04 7.13 6.67 1mx9B1 TRP 2200 HH2 -0.32 0.01 -0.19 -0.04 7.19 6.64 1mx9B1 VAL 2201 H 0.29 0.61 -0.18 -0.55 8.24 8.41 1mx9B1 VAL 2201 HA 0.26 -0.10 0.35 -0.75 4.13 3.88 1mx9B1 VAL 2201 HB 0.12 0.28 0.11 -0.04 2.12 2.60 1mx9B1 VAL 2201 HG13 0.12 -0.02 -0.14 -0.04 0.97 0.89 1mx9B1 VAL 2201 HG23 0.21 0.04 -0.07 -0.04 0.95 1.09 1mx9B1 GLN 2202 H 0.05 0.38 -0.29 -0.55 8.47 8.06 1mx9B1 GLN 2202 HA 0.01 0.01 0.45 -0.75 4.36 4.07 1mx9B1 GLN 2202 HB2 0.01 0.12 0.21 -0.04 2.15 2.45 1mx9B1 GLN 2202 HB3 -0.01 -0.08 0.04 -0.04 2.02 1.93 1mx9B1 GLN 2202 HG2 0.04 0.20 0.19 -0.04 2.40 2.79 1mx9B1 GLN 2202 HG3 0.01 -0.02 0.10 -0.04 2.39 2.45 1mx9B1 GLN 2202 HE21 0.12 0.42 0.14 -0.04 6.97 7.60 1mx9B1 GLN 2202 HE22 0.06 0.05 0.05 -0.04 7.69 7.81 1mx9B1 ASP 2203 H -0.15 0.40 -0.27 -0.55 8.40 7.83 1mx9B1 ASP 2203 HA -0.14 0.16 0.84 -0.75 4.63 4.74 1mx9B1 ASP 2203 HB2 -0.29 0.04 0.11 -0.04 2.71 2.53 1mx9B1 ASP 2203 HB3 -0.21 -0.10 0.13 -0.04 2.70 2.49 1mx9B1 ASN 2204 H -0.44 0.33 -0.07 -0.55 8.53 7.81 1mx9B1 ASN 2204 HA -0.30 0.24 1.20 -0.75 4.76 5.14 1mx9B1 ASN 2204 HB2 -2.12 0.09 -0.01 -0.04 2.88 0.81 1mx9B1 ASN 2204 HB3 -0.64 -0.06 -0.01 -0.04 2.79 2.04 1mx9B1 ASN 2204 HD21 -1.08 -0.06 -0.01 -0.04 7.03 5.84 1mx9B1 ASN 2204 HD22 -2.11 0.49 0.11 -0.04 7.74 6.20 1mx9B1 ILE 2205 H -0.17 0.50 0.16 -0.55 8.25 8.20 1mx9B1 ILE 2205 HA 0.16 -0.01 0.22 -0.75 4.18 3.80 1mx9B1 ILE 2205 HB 0.07 0.13 0.13 -0.04 1.89 2.17 1mx9B1 ILE 2205 HG12 0.11 0.05 -0.15 -0.04 1.49 1.46 1mx9B1 ILE 2205 HG13 0.12 -0.14 -0.09 -0.04 1.21 1.07 1mx9B1 ILE 2205 HG23 0.05 0.03 -0.38 -0.04 0.93 0.59 1mx9B1 ILE 2205 HD13 0.07 -0.00 -0.10 -0.04 0.88 0.81 1mx9B1 ALA 2206 H -0.02 0.14 -0.60 -0.55 8.40 7.38 1mx9B1 ALA 2206 HA 0.03 0.38 0.44 -0.75 4.34 4.45 1mx9B1 ALA 2206 HB3 -0.02 0.01 0.04 -0.04 1.41 1.39 1mx9B1 SER 2207 H 0.03 0.70 -0.22 -0.55 8.46 8.43 1mx9B1 SER 2207 HA -0.08 0.12 0.68 -0.75 4.49 4.46 1mx9B1 SER 2207 HB2 -0.25 0.02 0.02 -0.04 3.95 3.70 1mx9B1 SER 2207 HB3 -0.27 -0.15 0.21 -0.04 3.93 3.68 1mx9B1 PHE 2208 H 0.23 0.66 -0.21 -0.55 8.34 8.47 1mx9B1 PHE 2208 HA 0.01 0.19 0.91 -0.75 4.62 4.97 1mx9B1 PHE 2208 HB2 0.03 0.05 -0.01 -0.04 3.15 3.18 1mx9B1 PHE 2208 HB3 0.02 -0.07 0.07 -0.04 3.06 3.04 1mx9B1 PHE 2208 HD2 -0.30 0.03 -0.18 -0.04 7.28 6.78 1mx9B1 PHE 2208 HE2 -0.97 -0.02 -0.20 -0.04 7.38 6.15 1mx9B1 PHE 2208 HZ 0.01 -0.01 -0.19 -0.04 7.32 7.09 1mx9B1 GLY 2209 H 0.10 0.32 -0.06 -0.55 8.43 8.25 1mx9B1 GLY 2209 HA2 0.07 0.15 0.28 -0.51 4.01 4.01 1mx9B1 GLY 2209 HA3 0.12 0.01 0.68 -0.51 4.01 4.31 1mx9B1 GLY 2210 H 0.13 0.26 -0.02 -0.55 8.43 8.26 1mx9B1 GLY 2210 HA2 0.09 0.27 0.60 -0.51 4.01 4.46 1mx9B1 GLY 2210 HA3 0.10 -0.04 0.05 -0.51 4.01 3.61 1mx9B1 ASN 2211 H 0.06 0.65 -0.03 -0.55 8.53 8.66 1mx9B1 ASN 2211 HA 0.03 0.18 0.81 -0.75 4.76 5.02 1mx9B1 ASN 2211 HB2 0.02 0.04 -0.05 -0.04 2.88 2.85 1mx9B1 ASN 2211 HB3 0.02 0.15 -0.08 -0.04 2.79 2.84 1mx9B1 ASN 2211 HD21 -0.05 0.02 -0.13 -0.04 7.03 6.82 1mx9B1 ASN 2211 HD22 -0.02 0.14 -0.06 -0.04 7.74 7.76 1mx9B1 PRO 2212 HA 0.08 0.05 0.26 -0.51 4.44 4.32 1mx9B1 PRO 2212 HB2 0.03 0.07 0.09 -0.04 2.28 2.43 1mx9B1 PRO 2212 HB3 0.02 0.07 0.10 -0.04 2.02 2.17 1mx9B1 PRO 2212 HG2 0.01 0.01 -0.03 -0.04 2.03 1.98 1mx9B1 PRO 2212 HG3 -0.00 0.08 0.05 -0.04 2.03 2.11 1mx9B1 PRO 2212 HD2 0.01 0.09 0.20 -0.04 3.68 3.95 1mx9B1 PRO 2212 HD3 0.02 0.13 -0.03 -0.04 3.65 3.72 1mx9B1 GLY 2213 H 0.02 -0.01 -0.91 -0.55 8.43 6.97 1mx9B1 GLY 2213 HA2 0.06 0.17 0.57 -0.51 4.01 4.30 1mx9B1 GLY 2213 HA3 -0.07 -0.03 0.24 -0.51 4.01 3.64 1mx9B1 SER 2214 H 0.08 0.44 -0.35 -0.55 8.46 8.08 1mx9B1 SER 2214 HA -0.04 0.18 0.67 -0.75 4.49 4.54 1mx9B1 SER 2214 HB2 -0.06 -0.04 -0.21 -0.04 3.95 3.61 1mx9B1 SER 2214 HB3 0.01 -0.09 0.20 -0.04 3.93 4.02 1mx9B1 VAL 2215 H 0.53 0.20 -0.06 -0.55 8.24 8.36 1mx9B1 VAL 2215 HA 0.13 0.20 0.90 -0.75 4.13 4.61 1mx9B1 VAL 2215 HB 0.12 0.06 0.15 -0.04 2.12 2.40 1mx9B1 VAL 2215 HG13 0.12 -0.03 -0.14 -0.04 0.97 0.88 1mx9B1 VAL 2215 HG23 0.12 0.01 -0.07 -0.04 0.95 0.97 1mx9B1 THR 2216 H 0.12 0.84 0.47 -0.55 8.28 9.15 1mx9B1 THR 2216 HA 0.13 0.13 1.04 -0.75 4.39 4.94 1mx9B1 THR 2216 HB 0.02 -0.06 0.13 -0.04 4.32 4.37 1mx9B1 THR 2216 HG23 0.08 -0.05 -0.33 -0.04 1.22 0.88 1mx9B1 ILE 2217 H 0.08 0.57 0.24 -0.55 8.25 8.60 1mx9B1 ILE 2217 HA 0.16 0.24 1.16 -0.75 4.18 4.98 1mx9B1 ILE 2217 HB -0.22 -0.06 0.00 -0.04 1.89 1.58 1mx9B1 ILE 2217 HG12 -0.46 0.09 0.16 -0.04 1.49 1.24 1mx9B1 ILE 2217 HG13 -0.26 -0.10 0.39 -0.04 1.21 1.20 1mx9B1 ILE 2217 HG23 -0.14 0.01 -0.06 -0.04 0.93 0.69 1mx9B1 ILE 2217 HD13 -1.27 -0.01 -0.03 -0.04 0.88 -0.47 1mx9B1 PHE 2218 H 0.65 0.56 0.26 -0.55 8.34 9.25 1mx9B1 PHE 2218 HA 0.04 0.37 1.06 -0.75 4.62 5.33 1mx9B1 PHE 2218 HB2 0.32 -0.06 0.02 -0.04 3.15 3.39 1mx9B1 PHE 2218 HB3 0.19 0.02 -0.20 -0.04 3.06 3.03 1mx9B1 PHE 2218 HD2 0.46 0.04 -0.15 -0.04 7.28 7.59 1mx9B1 PHE 2218 HE2 -0.01 -0.01 -0.35 -0.04 7.38 6.98 1mx9B1 PHE 2218 HZ -0.06 0.01 -0.16 -0.04 7.32 7.07 1mx9B1 GLY 2219 H 0.01 0.51 0.30 -0.55 8.43 8.70 1mx9B1 GLY 2219 HA2 -1.92 0.00 0.42 -0.51 4.01 2.01 1mx9B1 GLY 2219 HA3 -0.71 0.23 0.26 -0.51 4.01 3.28 1mx9B1 GLU 2220 H -0.68 0.31 0.14 -0.55 8.60 7.81 1mx9B1 GLU 2220 HA -0.02 0.37 1.07 -0.75 4.29 4.95 1mx9B1 GLU 2220 HB2 0.02 0.01 0.08 -0.04 2.09 2.16 1mx9B1 GLU 2220 HB3 0.25 0.04 -0.18 -0.04 1.99 2.06 1mx9B1 GLU 2220 HG2 0.15 0.07 -0.04 -0.04 2.34 2.48 1mx9B1 GLU 2220 HG3 0.01 -0.12 -0.04 -0.04 2.34 2.14 1mx9B1 SER 2221 H 0.06 0.70 0.31 -0.55 8.46 8.98 1mx9B1 SER 2221 HA 0.28 0.39 0.59 -0.75 4.49 5.00 1mx9B1 SER 2221 HB2 0.46 0.06 0.05 -0.04 3.95 4.48 1mx9B1 SER 2221 HB3 0.17 -0.03 0.29 -0.04 3.93 4.33 1mx9B1 ALA 2222 H 0.07 -0.06 0.42 -0.55 8.40 8.28 1mx9B1 ALA 2222 HA -0.02 0.15 0.49 -0.75 4.34 4.20 1mx9B1 ALA 2222 HB3 -0.03 0.01 0.19 -0.04 1.41 1.54 1mx9B1 GLY 2223 H -0.11 0.59 -0.12 -0.55 8.43 8.24 1mx9B1 GLY 2223 HA2 -0.30 0.13 0.41 -0.51 4.01 3.75 1mx9B1 GLY 2223 HA3 -0.41 0.31 0.19 -0.51 4.01 3.60 1mx9B1 GLY 2224 H -0.09 0.05 -1.09 -0.55 8.43 6.75 1mx9B1 GLY 2224 HA2 -0.07 0.16 0.36 -0.51 4.01 3.95 1mx9B1 GLY 2224 HA3 -0.01 0.09 0.04 -0.51 4.01 3.62 1mx9B1 GLU 2225 H -0.02 0.45 -0.30 -0.55 8.60 8.18 1mx9B1 GLU 2225 HA -0.02 -0.09 -0.04 -0.75 4.29 3.38 1mx9B1 GLU 2225 HB2 -0.02 -0.01 -0.07 -0.04 2.09 1.95 1mx9B1 GLU 2225 HB3 -0.04 0.06 -0.00 -0.04 1.99 1.96 1mx9B1 GLU 2225 HG2 -0.06 -0.13 -0.37 -0.04 2.34 1.75 1mx9B1 GLU 2225 HG3 -0.06 0.06 -0.17 -0.04 2.34 2.13 1mx9B1 SER 2226 H -0.10 0.43 -0.48 -0.55 8.46 7.76 1mx9B1 SER 2226 HA -0.02 -0.01 0.28 -0.75 4.49 3.98 1mx9B1 SER 2226 HB2 -0.23 0.15 0.05 -0.04 3.95 3.88 1mx9B1 SER 2226 HB3 -0.15 -0.01 -0.06 -0.04 3.93 3.67 1mx9B1 VAL 2227 H -0.16 0.40 -0.41 -0.55 8.24 7.52 1mx9B1 VAL 2227 HA -0.27 0.05 0.29 -0.75 4.13 3.44 1mx9B1 VAL 2227 HB -0.09 0.09 0.10 -0.04 2.12 2.18 1mx9B1 VAL 2227 HG13 -0.23 0.01 -0.17 -0.04 0.97 0.54 1mx9B1 VAL 2227 HG23 -0.17 0.09 -0.09 -0.04 0.95 0.73 1mx9B1 SER 2228 H -0.07 0.48 -0.31 -0.55 8.46 8.01 1mx9B1 SER 2228 HA -0.05 0.10 0.36 -0.75 4.49 4.14 1mx9B1 SER 2228 HB2 0.10 0.10 0.15 -0.04 3.95 4.25 1mx9B1 SER 2228 HB3 -0.02 0.11 0.11 -0.04 3.93 4.09 1mx9B1 VAL 2229 H -0.14 0.49 -0.28 -0.55 8.24 7.76 1mx9B1 VAL 2229 HA -0.16 0.01 0.44 -0.75 4.13 3.66 1mx9B1 VAL 2229 HB -0.30 0.12 0.12 -0.04 2.12 2.02 1mx9B1 VAL 2229 HG13 -0.47 -0.02 -0.16 -0.04 0.97 0.27 1mx9B1 VAL 2229 HG23 -0.18 0.03 -0.08 -0.04 0.95 0.68 1mx9B1 LEU 2230 H -0.21 0.65 -0.07 -0.55 8.37 8.18 1mx9B1 LEU 2230 HA -0.13 -0.02 0.46 -0.75 4.35 3.90 1mx9B1 LEU 2230 HB2 -0.37 0.12 0.08 -0.04 1.64 1.43 1mx9B1 LEU 2230 HB3 -0.26 0.03 -0.04 -0.04 1.64 1.33 1mx9B1 LEU 2230 HG -0.19 0.10 -0.03 -0.04 1.64 1.49 1mx9B1 LEU 2230 HD13 -0.24 -0.02 -0.14 -0.04 0.93 0.49 1mx9B1 LEU 2230 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.68 1mx9B1 VAL 2231 H -0.18 0.40 -0.30 -0.55 8.24 7.60 1mx9B1 VAL 2231 HA 0.35 0.09 0.25 -0.75 4.13 4.06 1mx9B1 VAL 2231 HB -0.16 0.06 0.03 -0.04 2.12 2.01 1mx9B1 VAL 2231 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.85 1mx9B1 VAL 2231 HG23 -0.43 0.12 -0.02 -0.04 0.95 0.58 1mx9B1 LEU 2232 H -0.15 0.10 -0.67 -0.55 8.37 7.10 1mx9B1 LEU 2232 HA -0.59 0.19 0.72 -0.75 4.35 3.91 1mx9B1 LEU 2232 HB2 -0.18 0.02 0.05 -0.04 1.64 1.49 1mx9B1 LEU 2232 HB3 -0.24 -0.10 -0.03 -0.04 1.64 1.22 1mx9B1 LEU 2232 HG -0.14 0.07 -0.12 -0.04 1.64 1.40 1mx9B1 LEU 2232 HD13 -0.08 -0.06 -0.08 -0.04 0.93 0.67 1mx9B1 LEU 2232 HD23 -0.39 0.02 -0.14 -0.04 0.89 0.34 1mx9B1 SER 2233 H -0.13 0.29 -0.08 -0.55 8.46 8.00 1mx9B1 SER 2233 HA -0.11 0.10 0.70 -0.75 4.49 4.43 1mx9B1 SER 2233 HB2 -0.13 -0.06 0.09 -0.04 3.95 3.81 1mx9B1 SER 2233 HB3 -0.08 -0.01 0.20 -0.04 3.93 3.99 1mx9B1 PRO 2234 HA -0.02 0.13 0.39 -0.51 4.44 4.43 1mx9B1 PRO 2234 HB2 -0.01 0.00 -0.01 -0.04 2.28 2.22 1mx9B1 PRO 2234 HB3 -0.01 0.04 0.12 -0.04 2.02 2.12 1mx9B1 PRO 2234 HG2 -0.03 0.01 0.11 -0.04 2.03 2.08 1mx9B1 PRO 2234 HG3 -0.02 -0.02 0.01 -0.04 2.03 1.96 1mx9B1 PRO 2234 HD2 -0.06 0.39 0.31 -0.04 3.68 4.28 1mx9B1 PRO 2234 HD3 -0.06 0.13 0.25 -0.04 3.65 3.93 1mx9B1 LEU 2235 H -0.03 0.17 -0.20 -0.55 8.37 7.77 1mx9B1 LEU 2235 HA -0.01 0.04 0.34 -0.75 4.35 3.97 1mx9B1 LEU 2235 HB2 -0.02 -0.02 0.00 -0.04 1.64 1.57 1mx9B1 LEU 2235 HB3 0.01 0.00 -0.04 -0.04 1.64 1.57 1mx9B1 LEU 2235 HG -0.01 0.19 0.03 -0.04 1.64 1.81 1mx9B1 LEU 2235 HD13 0.01 -0.05 -0.15 -0.04 0.93 0.69 1mx9B1 LEU 2235 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 1mx9B1 ALA 2236 H -0.00 0.48 -0.48 -0.55 8.40 7.86 1mx9B1 ALA 2236 HA 0.04 0.11 0.73 -0.75 4.34 4.47 1mx9B1 ALA 2236 HB3 0.17 0.06 0.01 -0.04 1.41 1.61 1mx9B1 LYS 2237 H -0.05 0.45 -0.19 -0.55 8.42 8.08 1mx9B1 LYS 2237 HA -0.18 0.08 0.30 -0.75 4.32 3.77 1mx9B1 LYS 2237 HB2 -0.10 -0.09 0.07 -0.04 1.87 1.71 1mx9B1 LYS 2237 HB3 -0.20 -0.02 -0.01 -0.04 1.79 1.52 1mx9B1 LYS 2237 HG2 -0.04 0.50 0.26 -0.04 1.46 2.14 1mx9B1 LYS 2237 HG3 -0.03 -0.12 0.05 -0.04 1.46 1.32 1mx9B1 LYS 2237 HD2 0.01 0.02 -0.03 -0.04 1.69 1.65 1mx9B1 LYS 2237 HD3 -0.04 0.06 0.01 -0.04 1.68 1.67 1mx9B1 LYS 2237 HE2 0.00 -0.16 0.08 -0.04 2.99 2.87 1mx9B1 LYS 2237 HE3 0.04 -0.05 0.01 -0.04 2.99 2.95 1mx9B1 ASN 2238 H -0.16 0.05 -0.17 -0.55 8.53 7.70 1mx9B1 ASN 2238 HA -0.44 0.33 1.09 -0.75 4.76 4.99 1mx9B1 ASN 2238 HB2 -0.11 -0.05 0.13 -0.04 2.88 2.82 1mx9B1 ASN 2238 HB3 -0.11 0.01 0.18 -0.04 2.79 2.83 1mx9B1 ASN 2238 HD21 -0.09 -0.01 -0.04 -0.04 7.03 6.85 1mx9B1 ASN 2238 HD22 -0.09 -0.02 -0.01 -0.04 7.74 7.58 1mx9B1 LEU 2239 H -0.18 0.67 -0.06 -0.55 8.37 8.25 1mx9B1 LEU 2239 HA -0.04 0.20 0.99 -0.75 4.35 4.75 1mx9B1 LEU 2239 HB2 0.15 0.06 0.05 -0.04 1.64 1.86 1mx9B1 LEU 2239 HB3 0.08 -0.05 0.08 -0.04 1.64 1.70 1mx9B1 LEU 2239 HG -0.00 -0.04 -0.19 -0.04 1.64 1.37 1mx9B1 LEU 2239 HD13 0.04 -0.03 -0.09 -0.04 0.93 0.80 1mx9B1 LEU 2239 HD23 -0.00 0.05 -0.16 -0.04 0.89 0.73 1mx9B1 PHE 2240 H -0.52 0.34 0.03 -0.55 8.34 7.64 1mx9B1 PHE 2240 HA -0.27 0.06 0.53 -0.75 4.62 4.19 1mx9B1 PHE 2240 HB2 -0.07 -0.02 0.14 -0.04 3.15 3.16 1mx9B1 PHE 2240 HB3 -0.08 0.03 -0.13 -0.04 3.06 2.84 1mx9B1 PHE 2240 HD2 -0.08 0.00 -0.24 -0.04 7.28 6.91 1mx9B1 PHE 2240 HE2 -0.10 -0.01 -0.21 -0.04 7.38 7.02 1mx9B1 PHE 2240 HZ -0.10 0.01 -0.28 -0.04 7.32 6.91 1mx9B1 HIS 2241 H 0.10 0.67 0.39 -0.55 8.41 9.03 1mx9B1 HIS 2241 HA -0.06 0.21 0.97 -0.75 4.63 5.00 1mx9B1 HIS 2241 HB2 -0.01 0.02 -0.03 -0.04 3.26 3.20 1mx9B1 HIS 2241 HB3 -0.03 -0.01 0.14 -0.04 3.20 3.26 1mx9B1 HIS 2241 HD2 -0.01 -0.00 -0.03 -0.04 6.97 6.88 1mx9B1 HIS 2241 HE1 0.01 0.18 -0.08 -0.04 7.75 7.82 1mx9B1 ARG 2242 H 0.22 0.20 0.39 -0.55 8.46 8.73 1mx9B1 ARG 2242 HA 0.04 0.30 0.84 -0.75 4.34 4.76 1mx9B1 ARG 2242 HB2 0.02 -0.10 0.02 -0.04 1.90 1.79 1mx9B1 ARG 2242 HB3 -0.07 -0.09 -0.06 -0.04 1.80 1.54 1mx9B1 ARG 2242 HG2 -0.45 0.06 -0.06 -0.04 1.67 1.17 1mx9B1 ARG 2242 HG3 -0.45 0.03 0.04 -0.04 1.67 1.25 1mx9B1 ARG 2242 HD2 0.02 -0.02 -0.94 -0.04 3.22 2.24 1mx9B1 ARG 2242 HD3 0.00 -0.04 -0.30 -0.04 3.22 2.85 1mx9B1 ALA 2243 H 0.37 0.47 0.26 -0.55 8.40 8.96 1mx9B1 ALA 2243 HA 0.07 0.25 0.92 -0.75 4.34 4.82 1mx9B1 ALA 2243 HB3 -0.18 0.01 -0.08 -0.04 1.41 1.13 1mx9B1 ILE 2244 H 0.12 0.68 0.36 -0.55 8.25 8.85 1mx9B1 ILE 2244 HA 0.10 0.31 1.12 -0.75 4.18 4.96 1mx9B1 ILE 2244 HB 0.31 -0.08 0.07 -0.04 1.89 2.15 1mx9B1 ILE 2244 HG12 -0.40 0.05 -0.15 -0.04 1.49 0.95 1mx9B1 ILE 2244 HG13 0.13 -0.01 -0.54 -0.04 1.21 0.75 1mx9B1 ILE 2244 HG23 0.11 -0.04 -0.26 -0.04 0.93 0.70 1mx9B1 ILE 2244 HD13 -0.56 -0.00 -0.16 -0.04 0.88 0.12 1mx9B1 SER 2245 H 0.17 0.72 0.35 -0.55 8.46 9.15 1mx9B1 SER 2245 HA 0.10 0.17 1.12 -0.75 4.49 5.13 1mx9B1 SER 2245 HB2 0.14 -0.04 0.21 -0.04 3.95 4.22 1mx9B1 SER 2245 HB3 0.08 0.15 0.05 -0.04 3.93 4.17 1mx9B1 GLU 2246 H 0.12 0.62 0.31 -0.55 8.60 9.10 1mx9B1 GLU 2246 HA 0.18 0.11 0.86 -0.75 4.29 4.70 1mx9B1 GLU 2246 HB2 0.18 -0.06 0.15 -0.04 2.09 2.32 1mx9B1 GLU 2246 HB3 0.21 -0.11 -0.04 -0.04 1.99 2.00 1mx9B1 GLU 2246 HG2 0.70 0.01 -0.19 -0.04 2.34 2.82 1mx9B1 GLU 2246 HG3 0.48 0.10 -0.24 -0.04 2.34 2.64 1mx9B1 SER 2247 H -0.01 0.78 0.30 -0.55 8.46 8.98 1mx9B1 SER 2247 HA -0.01 0.06 0.53 -0.75 4.49 4.32 1mx9B1 SER 2247 HB2 -0.19 -0.03 0.14 -0.04 3.95 3.84 1mx9B1 SER 2247 HB3 -0.49 -0.00 0.24 -0.04 3.93 3.63 1mx9B1 GLY 2248 H 0.13 0.18 -0.13 -0.55 8.43 8.07 1mx9B1 GLY 2248 HA2 0.27 0.02 0.38 -0.51 4.01 4.17 1mx9B1 GLY 2248 HA3 0.18 0.19 0.64 -0.51 4.01 4.51 1mx9B1 VAL 2249 H 0.02 0.25 0.16 -0.55 8.24 8.12 1mx9B1 VAL 2249 HA 0.03 0.30 0.61 -0.75 4.13 4.32 1mx9B1 VAL 2249 HB 0.00 0.01 0.06 -0.04 2.12 2.16 1mx9B1 VAL 2249 HG13 -0.02 0.01 -0.26 -0.04 0.97 0.67 1mx9B1 VAL 2249 HG23 -0.03 -0.05 -0.33 -0.04 0.95 0.50 1mx9B1 ALA 2250 H -0.01 0.28 0.05 -0.55 8.40 8.18 1mx9B1 ALA 2250 HA -0.07 0.09 0.30 -0.75 4.34 3.91 1mx9B1 ALA 2250 HB3 -0.06 0.04 -0.06 -0.04 1.41 1.29 1mx9B1 LEU 2251 H -0.05 0.01 -0.65 -0.55 8.37 7.13 1mx9B1 LEU 2251 HA -0.09 0.21 0.74 -0.75 4.35 4.46 1mx9B1 LEU 2251 HB2 -0.06 -0.03 -0.04 -0.04 1.64 1.47 1mx9B1 LEU 2251 HB3 -0.08 0.04 0.13 -0.04 1.64 1.69 1mx9B1 LEU 2251 HG -0.03 -0.05 -0.15 -0.04 1.64 1.38 1mx9B1 LEU 2251 HD13 -0.02 0.06 -0.03 -0.04 0.93 0.90 1mx9B1 LEU 2251 HD23 -0.04 0.04 -0.21 -0.04 0.89 0.63 1mx9B1 THR 2252 H -0.09 0.48 -0.27 -0.55 8.28 7.85 1mx9B1 THR 2252 HA -0.21 0.26 0.70 -0.75 4.39 4.38 1mx9B1 THR 2252 HB -0.11 0.04 0.26 -0.04 4.32 4.47 1mx9B1 THR 2252 HG23 -0.30 -0.03 0.10 -0.04 1.22 0.94 1mx9B1 SER 2253 H -0.18 0.57 -0.13 -0.55 8.46 8.17 1mx9B1 SER 2253 HA -0.14 0.01 0.23 -0.75 4.49 3.83 1mx9B1 SER 2253 HB2 -0.19 0.03 -0.02 -0.04 3.95 3.73 1mx9B1 SER 2253 HB3 -0.19 0.01 0.08 -0.04 3.93 3.79 1mx9B1 VAL 2254 H -0.19 0.09 -0.32 -0.55 8.24 7.27 1mx9B1 VAL 2254 HA -0.13 0.22 0.44 -0.75 4.13 3.90 1mx9B1 VAL 2254 HB -0.15 0.08 0.21 -0.04 2.12 2.21 1mx9B1 VAL 2254 HG13 -0.14 -0.04 -0.12 -0.04 0.97 0.64 1mx9B1 VAL 2254 HG23 -0.08 0.06 0.05 -0.04 0.95 0.95 1mx9B1 LEU 2255 H -0.13 0.62 -0.16 -0.55 8.37 8.15 1mx9B1 LEU 2255 HA -0.14 0.12 0.74 -0.75 4.35 4.32 1mx9B1 LEU 2255 HB2 -0.10 0.17 0.05 -0.04 1.64 1.71 1mx9B1 LEU 2255 HB3 -0.12 -0.08 0.06 -0.04 1.64 1.46 1mx9B1 LEU 2255 HG -0.09 0.01 -0.10 -0.04 1.64 1.42 1mx9B1 LEU 2255 HD13 -0.04 -0.04 -0.03 -0.04 0.93 0.78 1mx9B1 LEU 2255 HD23 -0.12 -0.03 -0.02 -0.04 0.89 0.67 1mx9B1 VAL 2256 H -0.12 0.52 -0.26 -0.55 8.24 7.83 1mx9B1 VAL 2256 HA -0.10 0.12 1.04 -0.75 4.13 4.45 1mx9B1 VAL 2256 HB -0.10 -0.00 0.00 -0.04 2.12 1.98 1mx9B1 VAL 2256 HG13 -0.08 -0.01 -0.26 -0.04 0.97 0.57 1mx9B1 VAL 2256 HG23 -0.09 -0.00 -0.27 -0.04 0.95 0.55 1mx9B1 LYS 2257 H -0.08 0.57 0.15 -0.55 8.42 8.50 1mx9B1 LYS 2257 HA -0.07 0.14 0.68 -0.75 4.32 4.31 1mx9B1 LYS 2257 HB2 -0.07 -0.06 0.02 -0.04 1.87 1.72 1mx9B1 LYS 2257 HB3 -0.06 0.04 -0.00 -0.04 1.79 1.73 1mx9B1 LYS 2257 HG2 -0.08 0.13 -0.15 -0.04 1.46 1.32 1mx9B1 LYS 2257 HG3 -0.07 -0.01 -0.06 -0.04 1.46 1.28 1mx9B1 LYS 2257 HD2 -0.10 -0.08 -0.43 -0.04 1.69 1.04 1mx9B1 LYS 2257 HD3 -0.11 -0.34 -0.17 -0.04 1.68 1.02 1mx9B1 LYS 2257 HE2 -0.05 0.01 -0.06 -0.04 2.99 2.84 1mx9B1 LYS 2257 HE3 -0.06 0.05 -0.07 -0.04 2.99 2.87 1mx9B1 LYS 2258 H -0.06 0.25 0.23 -0.55 8.42 8.28 1mx9B1 LYS 2258 HA -0.05 0.08 0.87 -0.75 4.32 4.47 1mx9B1 LYS 2258 HB2 -0.05 -0.05 0.02 -0.04 1.87 1.76 1mx9B1 LYS 2258 HB3 -0.06 -0.03 0.00 -0.04 1.79 1.66 1mx9B1 LYS 2258 HG2 -0.08 -0.03 0.01 -0.04 1.46 1.33 1mx9B1 LYS 2258 HG3 -0.08 0.16 0.05 -0.04 1.46 1.55 1mx9B1 LYS 2258 HD2 -0.05 -0.02 0.23 -0.04 1.69 1.81 1mx9B1 LYS 2258 HD3 -0.04 -0.05 -0.06 -0.04 1.68 1.48 1mx9B1 LYS 2258 HE2 -0.05 -0.02 0.03 -0.04 2.99 2.90 1mx9B1 LYS 2258 HE3 -0.09 -0.02 0.02 -0.04 2.99 2.85 1mx9B1 GLY 2259 H -0.04 0.05 0.11 -0.55 8.43 8.01 1mx9B1 GLY 2259 HA2 -0.02 -0.03 0.35 -0.51 4.01 3.80 1mx9B1 GLY 2259 HA3 -0.02 0.18 0.61 -0.51 4.01 4.27 1mx9B1 ASP 2260 H -0.01 0.08 0.15 -0.55 8.40 8.07 1mx9B1 ASP 2260 HA -0.03 -0.01 0.39 -0.75 4.63 4.24 1mx9B1 ASP 2260 HB2 -0.01 0.02 0.18 -0.04 2.71 2.87 1mx9B1 ASP 2260 HB3 -0.01 0.05 0.11 -0.04 2.70 2.81 1mx9B1 VAL 2261 H -0.04 0.09 0.18 -0.55 8.24 7.92 1mx9B1 VAL 2261 HA -0.04 0.26 0.86 -0.75 4.13 4.45 1mx9B1 VAL 2261 HB -0.09 0.01 0.09 -0.04 2.12 2.09 1mx9B1 VAL 2261 HG13 -0.06 0.08 -0.16 -0.04 0.97 0.79 1mx9B1 VAL 2261 HG23 -0.10 -0.01 -0.17 -0.04 0.95 0.64 1mx9B1 LYS 2262 H -0.03 0.03 -0.02 -0.55 8.42 7.85 1mx9B1 LYS 2262 HA -0.06 0.13 0.45 -0.75 4.32 4.09 1mx9B1 LYS 2262 HB2 -0.02 -0.02 0.11 -0.04 1.87 1.90 1mx9B1 LYS 2262 HB3 -0.01 0.04 -0.01 -0.04 1.79 1.78 1mx9B1 LYS 2262 HG2 -0.00 -0.07 0.08 -0.04 1.46 1.42 1mx9B1 LYS 2262 HG3 -0.02 0.20 0.08 -0.04 1.46 1.69 1mx9B1 LYS 2262 HD2 0.00 0.01 0.02 -0.04 1.69 1.69 1mx9B1 LYS 2262 HD3 0.00 0.01 -0.02 -0.04 1.68 1.63 1mx9B1 LYS 2262 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 1mx9B1 LYS 2262 HE3 0.02 0.02 -0.06 -0.04 2.99 2.93 1mx9B1 PRO 2263 HA 0.01 0.07 0.44 -0.51 4.44 4.45 1mx9B1 PRO 2263 HB2 0.01 0.10 -0.04 -0.04 2.28 2.31 1mx9B1 PRO 2263 HB3 0.01 0.06 0.02 -0.04 2.02 2.07 1mx9B1 PRO 2263 HG2 0.01 0.11 -0.01 -0.04 2.03 2.09 1mx9B1 PRO 2263 HG3 0.01 0.03 -0.00 -0.04 2.03 2.02 1mx9B1 PRO 2263 HD2 -0.01 0.23 -0.29 -0.04 3.68 3.57 1mx9B1 PRO 2263 HD3 -0.01 -0.02 0.00 -0.04 3.65 3.59 1mx9B1 LEU 2264 H 0.00 0.21 -0.34 -0.55 8.37 7.69 1mx9B1 LEU 2264 HA 0.06 0.10 0.45 -0.75 4.35 4.20 1mx9B1 LEU 2264 HB2 0.03 0.03 0.05 -0.04 1.64 1.70 1mx9B1 LEU 2264 HB3 -0.00 0.11 0.08 -0.04 1.64 1.78 1mx9B1 LEU 2264 HG 0.08 -0.04 -0.18 -0.04 1.64 1.46 1mx9B1 LEU 2264 HD13 0.15 -0.01 0.06 -0.04 0.93 1.08 1mx9B1 LEU 2264 HD23 0.01 0.03 0.03 -0.04 0.89 0.92 1mx9B1 ALA 2265 H -0.02 0.32 -0.16 -0.55 8.40 8.00 1mx9B1 ALA 2265 HA 0.16 0.02 0.48 -0.75 4.34 4.25 1mx9B1 ALA 2265 HB3 -0.16 0.10 0.23 -0.04 1.41 1.54 1mx9B1 GLU 2266 H 0.05 0.69 -0.04 -0.55 8.60 8.75 1mx9B1 GLU 2266 HA 0.08 -0.03 0.34 -0.75 4.29 3.92 1mx9B1 GLU 2266 HB2 0.03 0.11 0.09 -0.04 2.09 2.29 1mx9B1 GLU 2266 HB3 0.03 -0.05 0.02 -0.04 1.99 1.95 1mx9B1 GLU 2266 HG2 0.04 -0.07 0.01 -0.04 2.34 2.28 1mx9B1 GLU 2266 HG3 0.03 0.38 0.11 -0.04 2.34 2.82 1mx9B1 GLN 2267 H 0.06 0.52 -0.28 -0.55 8.47 8.22 1mx9B1 GLN 2267 HA 0.03 -0.03 0.39 -0.75 4.36 4.00 1mx9B1 GLN 2267 HB2 0.05 0.23 0.22 -0.04 2.15 2.61 1mx9B1 GLN 2267 HB3 0.07 0.10 0.07 -0.04 2.02 2.22 1mx9B1 GLN 2267 HG2 0.03 0.01 0.01 -0.04 2.40 2.40 1mx9B1 GLN 2267 HG3 0.02 -0.07 0.07 -0.04 2.39 2.37 1mx9B1 GLN 2267 HE21 0.03 0.04 0.02 -0.04 6.97 7.02 1mx9B1 GLN 2267 HE22 0.02 0.02 0.02 -0.04 7.69 7.71 1mx9B1 ILE 2268 H 0.12 0.47 -0.39 -0.55 8.25 7.90 1mx9B1 ILE 2268 HA 0.05 0.06 0.51 -0.75 4.18 4.04 1mx9B1 ILE 2268 HB 0.24 0.23 0.23 -0.04 1.89 2.55 1mx9B1 ILE 2268 HG12 0.21 -0.06 0.00 -0.04 1.49 1.60 1mx9B1 ILE 2268 HG13 0.19 0.06 0.02 -0.04 1.21 1.45 1mx9B1 ILE 2268 HG23 -0.09 -0.04 -0.17 -0.04 0.93 0.60 1mx9B1 ILE 2268 HD13 0.31 -0.02 -0.01 -0.04 0.88 1.12 1mx9B1 ALA 2269 H 0.07 0.45 0.02 -0.55 8.40 8.39 1mx9B1 ALA 2269 HA -0.07 0.01 0.33 -0.75 4.34 3.85 1mx9B1 ALA 2269 HB3 0.01 0.01 -0.01 -0.04 1.41 1.38 1mx9B1 ILE 2270 H 0.02 0.64 -0.15 -0.55 8.25 8.20 1mx9B1 ILE 2270 HA -0.00 0.07 0.39 -0.75 4.18 3.88 1mx9B1 ILE 2270 HB 0.01 0.14 0.08 -0.04 1.89 2.07 1mx9B1 ILE 2270 HG12 0.01 -0.08 0.01 -0.04 1.49 1.39 1mx9B1 ILE 2270 HG13 0.01 0.07 0.05 -0.04 1.21 1.31 1mx9B1 ILE 2270 HG23 -0.00 -0.02 -0.09 -0.04 0.93 0.77 1mx9B1 ILE 2270 HD13 0.01 -0.03 -0.09 -0.04 0.88 0.73 1mx9B1 THR 2271 H -0.01 0.37 -0.32 -0.55 8.28 7.78 1mx9B1 THR 2271 HA -0.02 0.02 0.50 -0.75 4.39 4.14 1mx9B1 THR 2271 HB -0.03 0.07 0.17 -0.04 4.32 4.50 1mx9B1 THR 2271 HG23 -0.05 -0.02 0.02 -0.04 1.22 1.13 1mx9B1 ALA 2272 H -0.04 0.65 -0.01 -0.55 8.40 8.46 1mx9B1 ALA 2272 HA -0.05 0.01 0.46 -0.75 4.34 4.01 1mx9B1 ALA 2272 HB3 -0.09 -0.03 0.03 -0.04 1.41 1.28 1mx9B1 GLY 2273 H -0.03 0.17 -1.00 -0.55 8.43 7.03 1mx9B1 GLY 2273 HA2 -0.02 0.08 0.25 -0.51 4.01 3.82 1mx9B1 GLY 2273 HA3 -0.02 -0.02 0.44 -0.51 4.01 3.90 1mx9B1 CYS 2274 H -0.02 0.78 0.06 -0.55 8.50 8.77 1mx9B1 CYS 2274 HA -0.01 0.14 0.91 -0.75 4.58 4.86 1mx9B1 CYS 2274 HB2 -0.03 -0.05 -0.02 -0.04 2.97 2.83 1mx9B1 CYS 2274 HB3 -0.02 0.04 -0.05 -0.04 2.97 2.91 1mx9B1 LYS 2275 H 0.00 0.12 0.10 -0.55 8.42 8.09 1mx9B1 LYS 2275 HA 0.00 0.10 0.43 -0.75 4.32 4.10 1mx9B1 LYS 2275 HB2 0.01 0.05 0.13 -0.04 1.87 2.01 1mx9B1 LYS 2275 HB3 0.00 -0.18 -0.05 -0.04 1.79 1.53 1mx9B1 LYS 2275 HG2 0.00 0.01 0.03 -0.04 1.46 1.46 1mx9B1 LYS 2275 HG3 0.00 0.07 0.00 -0.04 1.46 1.49 1mx9B1 LYS 2275 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 1mx9B1 LYS 2275 HD3 -0.00 -0.08 -0.00 -0.04 1.68 1.56 1mx9B1 LYS 2275 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1mx9B1 LYS 2275 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 1mx9B1 THR 2276 H 0.01 0.16 0.04 -0.55 8.28 7.93 1mx9B1 THR 2276 HA 0.02 0.23 0.82 -0.75 4.39 4.71 1mx9B1 THR 2276 HB 0.02 -0.01 0.13 -0.04 4.32 4.42 1mx9B1 THR 2276 HG23 0.03 0.04 -0.12 -0.04 1.22 1.12 1mx9B1 THR 2277 H 0.00 0.10 -0.24 -0.55 8.28 7.59 1mx9B1 THR 2277 HA 0.00 0.12 0.43 -0.75 4.39 4.18 1mx9B1 THR 2277 HB -0.01 -0.08 0.08 -0.04 4.32 4.27 1mx9B1 THR 2277 HG23 -0.01 0.01 -0.10 -0.04 1.22 1.08 1mx9B1 THR 2278 H -0.01 0.08 -0.03 -0.55 8.28 7.77 1mx9B1 THR 2278 HA -0.01 0.32 0.75 -0.75 4.39 4.70 1mx9B1 THR 2278 HB -0.06 -0.07 0.14 -0.04 4.32 4.29 1mx9B1 THR 2278 HG23 -0.02 0.04 -0.18 -0.04 1.22 1.02 1mx9B1 SER 2279 H -0.02 0.21 0.12 -0.55 8.46 8.23 1mx9B1 SER 2279 HA 0.04 0.16 0.41 -0.75 4.49 4.34 1mx9B1 SER 2279 HB2 0.11 -0.05 0.14 -0.04 3.95 4.11 1mx9B1 SER 2279 HB3 0.15 0.01 -0.03 -0.04 3.93 4.01 1mx9B1 ALA 2280 H -0.36 0.09 -0.07 -0.55 8.40 7.52 1mx9B1 ALA 2280 HA -0.15 0.15 0.35 -0.75 4.34 3.94 1mx9B1 ALA 2280 HB3 -0.38 0.03 0.03 -0.04 1.41 1.05 1mx9B1 VAL 2281 H -0.06 0.00 -0.41 -0.55 8.24 7.22 1mx9B1 VAL 2281 HA 0.01 0.12 0.46 -0.75 4.13 3.97 1mx9B1 VAL 2281 HB -0.02 -0.18 0.05 -0.04 2.12 1.93 1mx9B1 VAL 2281 HG13 0.01 0.05 -0.16 -0.04 0.97 0.83 1mx9B1 VAL 2281 HG23 -0.04 0.01 -0.02 -0.04 0.95 0.86 1mx9B1 MET 2282 H 0.02 0.34 -0.28 -0.55 8.47 8.00 1mx9B1 MET 2282 HA 0.02 0.16 0.54 -0.75 4.52 4.48 1mx9B1 MET 2282 HB2 0.10 0.09 0.19 -0.04 2.15 2.48 1mx9B1 MET 2282 HB3 0.10 -0.01 -0.06 -0.04 2.03 2.02 1mx9B1 MET 2282 HG2 0.04 0.20 0.06 -0.04 2.63 2.88 1mx9B1 MET 2282 HG3 0.04 0.09 0.01 -0.04 2.56 2.66 1mx9B1 MET 2282 HE3 0.06 -0.01 -0.14 -0.04 2.10 1.96 1mx9B1 VAL 2283 H 0.07 0.50 0.01 -0.55 8.24 8.28 1mx9B1 VAL 2283 HA -0.06 0.04 0.26 -0.75 4.13 3.62 1mx9B1 VAL 2283 HB 0.10 -0.02 0.05 -0.04 2.12 2.21 1mx9B1 VAL 2283 HG13 0.10 0.06 -0.09 -0.04 0.97 1.01 1mx9B1 VAL 2283 HG23 0.18 0.05 -0.15 -0.04 0.95 0.98 1mx9B1 HIS 2284 H 0.13 0.38 -0.33 -0.55 8.41 8.04 1mx9B1 HIS 2284 HA 0.02 0.08 0.36 -0.75 4.63 4.34 1mx9B1 HIS 2284 HB2 -0.01 0.06 0.12 -0.04 3.26 3.40 1mx9B1 HIS 2284 HB3 -0.01 -0.01 0.13 -0.04 3.20 3.26 1mx9B1 HIS 2284 HD2 -0.01 -0.01 -0.14 -0.04 6.97 6.77 1mx9B1 HIS 2284 HE1 -0.00 -0.01 -0.03 -0.04 7.75 7.67 1mx9B1 CYS 2285 H 0.07 0.46 -0.18 -0.55 8.50 8.31 1mx9B1 CYS 2285 HA -0.05 -0.01 0.40 -0.75 4.58 4.17 1mx9B1 CYS 2285 HB2 0.04 -0.00 0.21 -0.04 2.97 3.17 1mx9B1 CYS 2285 HB3 -0.02 0.11 0.21 -0.04 2.97 3.23 1mx9B1 LEU 2286 H -0.07 0.77 -0.13 -0.55 8.37 8.39 1mx9B1 LEU 2286 HA -0.10 -0.02 0.36 -0.75 4.35 3.84 1mx9B1 LEU 2286 HB2 -0.22 0.09 0.03 -0.04 1.64 1.51 1mx9B1 LEU 2286 HB3 -0.13 -0.06 -0.05 -0.04 1.64 1.36 1mx9B1 LEU 2286 HG -0.21 0.04 -0.04 -0.04 1.64 1.39 1mx9B1 LEU 2286 HD13 -0.98 -0.04 -0.16 -0.04 0.93 -0.29 1mx9B1 LEU 2286 HD23 -0.25 -0.02 -0.09 -0.04 0.89 0.49 1mx9B1 ARG 2287 H -0.03 0.43 -0.40 -0.55 8.46 7.91 1mx9B1 ARG 2287 HA -0.03 0.03 0.51 -0.75 4.34 4.08 1mx9B1 ARG 2287 HB2 -0.11 0.07 0.15 -0.04 1.90 1.97 1mx9B1 ARG 2287 HB3 -0.07 -0.06 0.00 -0.04 1.80 1.63 1mx9B1 ARG 2287 HG2 0.15 -0.07 -0.06 -0.04 1.67 1.66 1mx9B1 ARG 2287 HG3 0.15 0.17 -0.03 -0.04 1.67 1.92 1mx9B1 ARG 2287 HD2 0.02 -0.15 -0.03 -0.04 3.22 3.02 1mx9B1 ARG 2287 HD3 -0.03 0.04 0.01 -0.04 3.22 3.20 1mx9B1 GLN 2288 H -0.14 0.38 -0.25 -0.55 8.47 7.92 1mx9B1 GLN 2288 HA -0.09 0.05 0.60 -0.75 4.36 4.16 1mx9B1 GLN 2288 HB2 -0.13 0.15 0.13 -0.04 2.15 2.26 1mx9B1 GLN 2288 HB3 -0.08 -0.12 0.11 -0.04 2.02 1.90 1mx9B1 GLN 2288 HG2 -0.13 -0.07 0.02 -0.04 2.40 2.17 1mx9B1 GLN 2288 HG3 -0.33 0.07 -0.04 -0.04 2.39 2.06 1mx9B1 GLN 2288 HE21 0.03 -0.10 -0.03 -0.04 6.97 6.83 1mx9B1 GLN 2288 HE22 -0.09 0.11 0.03 -0.04 7.69 7.71 1mx9B1 LYS 2289 H -0.07 0.26 -0.46 -0.55 8.42 7.60 1mx9B1 LYS 2289 HA -0.04 0.01 0.59 -0.75 4.32 4.13 1mx9B1 LYS 2289 HB2 -0.08 0.04 -0.03 -0.04 1.87 1.75 1mx9B1 LYS 2289 HB3 -0.05 -0.13 0.06 -0.04 1.79 1.63 1mx9B1 LYS 2289 HG2 -0.08 0.12 0.13 -0.04 1.46 1.59 1mx9B1 LYS 2289 HG3 -0.09 -0.07 -0.02 -0.04 1.46 1.24 1mx9B1 LYS 2289 HD2 -0.05 -0.08 -0.16 -0.04 1.69 1.36 1mx9B1 LYS 2289 HD3 -0.06 -0.00 -0.20 -0.04 1.68 1.38 1mx9B1 LYS 2289 HE2 -0.05 0.17 -0.00 -0.04 2.99 3.06 1mx9B1 LYS 2289 HE3 -0.04 -0.18 0.03 -0.04 2.99 2.76 1mx9B1 THR 2290 H -0.00 0.04 0.18 -0.55 8.28 7.94 1mx9B1 THR 2290 HA 0.02 0.24 0.60 -0.75 4.39 4.49 1mx9B1 THR 2290 HB 0.02 -0.06 0.19 -0.04 4.32 4.43 1mx9B1 THR 2290 HG23 -0.00 0.06 0.08 -0.04 1.22 1.32 1mx9B1 GLU 2291 H 0.08 0.19 0.19 -0.55 8.60 8.51 1mx9B1 GLU 2291 HA 0.44 0.16 0.42 -0.75 4.29 4.55 1mx9B1 GLU 2291 HB2 0.09 0.07 0.17 -0.04 2.09 2.37 1mx9B1 GLU 2291 HB3 0.06 -0.04 0.18 -0.04 1.99 2.16 1mx9B1 GLU 2291 HG2 0.08 -0.00 -0.22 -0.04 2.34 2.16 1mx9B1 GLU 2291 HG3 -0.03 0.02 0.03 -0.04 2.34 2.32 1mx9B1 GLU 2292 H 0.07 0.11 -0.07 -0.55 8.60 8.17 1mx9B1 GLU 2292 HA 0.10 0.07 0.36 -0.75 4.29 4.07 1mx9B1 GLU 2292 HB2 0.04 -0.01 0.12 -0.04 2.09 2.20 1mx9B1 GLU 2292 HB3 0.03 0.04 0.00 -0.04 1.99 2.03 1mx9B1 GLU 2292 HG2 0.03 0.00 0.04 -0.04 2.34 2.37 1mx9B1 GLU 2292 HG3 0.02 0.05 0.00 -0.04 2.34 2.37 1mx9B1 GLU 2293 H 0.05 0.03 -0.29 -0.55 8.60 7.84 1mx9B1 GLU 2293 HA 0.02 0.08 0.44 -0.75 4.29 4.08 1mx9B1 GLU 2293 HB2 -0.00 0.02 0.15 -0.04 2.09 2.21 1mx9B1 GLU 2293 HB3 -0.02 0.16 0.08 -0.04 1.99 2.17 1mx9B1 GLU 2293 HG2 0.00 0.07 0.06 -0.04 2.34 2.43 1mx9B1 GLU 2293 HG3 0.01 -0.14 0.08 -0.04 2.34 2.25 1mx9B1 LEU 2294 H 0.06 0.48 -0.24 -0.55 8.37 8.13 1mx9B1 LEU 2294 HA -0.13 0.12 0.57 -0.75 4.35 4.15 1mx9B1 LEU 2294 HB2 -0.09 0.06 0.12 -0.04 1.64 1.69 1mx9B1 LEU 2294 HB3 -0.85 -0.10 0.03 -0.04 1.64 0.68 1mx9B1 LEU 2294 HG -0.14 0.06 -0.09 -0.04 1.64 1.43 1mx9B1 LEU 2294 HD13 -0.50 0.03 -0.07 -0.04 0.93 0.35 1mx9B1 LEU 2294 HD23 -0.26 0.01 -0.01 -0.04 0.89 0.60 1mx9B1 LEU 2295 H 0.23 0.53 -0.09 -0.55 8.37 8.49 1mx9B1 LEU 2295 HA 0.39 -0.01 0.44 -0.75 4.35 4.41 1mx9B1 LEU 2295 HB2 0.31 0.00 0.07 -0.04 1.64 1.99 1mx9B1 LEU 2295 HB3 0.15 0.14 0.16 -0.04 1.64 2.05 1mx9B1 LEU 2295 HG 0.10 0.02 -0.11 -0.04 1.64 1.61 1mx9B1 LEU 2295 HD13 0.18 -0.03 -0.07 -0.04 0.93 0.97 1mx9B1 LEU 2295 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.88 1mx9B1 GLU 2296 H 0.06 0.42 -0.34 -0.55 8.60 8.19 1mx9B1 GLU 2296 HA 0.03 0.03 0.56 -0.75 4.29 4.15 1mx9B1 GLU 2296 HB2 0.01 0.18 0.06 -0.04 2.09 2.29 1mx9B1 GLU 2296 HB3 0.00 -0.02 0.07 -0.04 1.99 2.01 1mx9B1 GLU 2296 HG2 0.02 -0.07 0.00 -0.04 2.34 2.25 1mx9B1 GLU 2296 HG3 0.04 0.37 0.10 -0.04 2.34 2.80 1mx9B1 THR 2297 H -0.00 0.21 -0.37 -0.55 8.28 7.58 1mx9B1 THR 2297 HA -0.04 0.13 0.47 -0.75 4.39 4.19 1mx9B1 THR 2297 HB -0.07 0.06 0.19 -0.04 4.32 4.46 1mx9B1 THR 2297 HG23 -0.04 -0.02 -0.09 -0.04 1.22 1.03 1mx9B1 THR 2298 H 0.05 0.57 -0.03 -0.55 8.28 8.32 1mx9B1 THR 2298 HA 0.16 0.05 0.37 -0.75 4.39 4.22 1mx9B1 THR 2298 HB 0.39 -0.05 0.06 -0.04 4.32 4.69 1mx9B1 THR 2298 HG23 0.23 0.09 0.08 -0.04 1.22 1.57 1mx9B1 LEU 2299 H 0.04 0.41 -0.29 -0.55 8.37 7.99 1mx9B1 LEU 2299 HA -0.01 -0.02 0.38 -0.75 4.35 3.95 1mx9B1 LEU 2299 HB2 0.03 0.14 0.26 -0.04 1.64 2.03 1mx9B1 LEU 2299 HB3 -0.00 0.04 -0.01 -0.04 1.64 1.62 1mx9B1 LEU 2299 HG 0.01 -0.01 0.05 -0.04 1.64 1.65 1mx9B1 LEU 2299 HD13 0.06 -0.01 0.04 -0.04 0.93 0.98 1mx9B1 LEU 2299 HD23 0.03 -0.01 0.00 -0.04 0.89 0.88 1mx9B1 LYS 2300 H -0.05 0.58 -0.16 -0.55 8.42 8.23 1mx9B1 LYS 2300 HA -0.06 -0.01 0.44 -0.75 4.32 3.93 1mx9B1 LYS 2300 HB2 -0.07 0.09 0.18 -0.04 1.87 2.03 1mx9B1 LYS 2300 HB3 -0.06 -0.05 0.05 -0.04 1.79 1.69 1mx9B1 LYS 2300 HG2 -0.03 -0.10 0.07 -0.04 1.46 1.36 1mx9B1 LYS 2300 HG3 -0.03 0.16 0.15 -0.04 1.46 1.70 1mx9B1 LYS 2300 HD2 -0.03 0.07 0.00 -0.04 1.69 1.69 1mx9B1 LYS 2300 HD3 -0.03 -0.04 0.04 -0.04 1.68 1.60 1mx9B1 LYS 2300 HE2 -0.02 -0.07 0.02 -0.04 2.99 2.88 1mx9B1 LYS 2300 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1mx9B1 MET 2301 H -0.24 0.45 -0.28 -0.55 8.47 7.85 1mx9B1 MET 2301 HA -0.26 -0.01 0.34 -0.75 4.52 3.84 1mx9B1 MET 2301 HB2 -1.38 0.11 0.11 -0.04 2.15 0.95 1mx9B1 MET 2301 HB3 -1.15 -0.03 0.01 -0.04 2.03 0.81 1mx9B1 MET 2301 HG2 -0.22 0.41 0.10 -0.04 2.63 2.89 1mx9B1 MET 2301 HG3 -0.20 -0.15 -0.02 -0.04 2.56 2.15 1mx9B1 MET 2301 HE3 0.14 -0.02 -0.05 -0.04 2.10 2.13 1mx9B1 LYS 2302 H -0.25 0.25 -0.52 -0.55 8.42 7.35 1mx9B1 LYS 2302 HA -0.09 -0.03 0.33 -0.75 4.32 3.78 1mx9B1 LYS 2302 HB2 -0.09 0.06 -0.17 -0.04 1.87 1.64 1mx9B1 LYS 2302 HB3 -0.09 0.11 0.15 -0.04 1.79 1.92 1mx9B1 LYS 2302 HG2 -0.03 -0.05 0.06 -0.04 1.46 1.41 1mx9B1 LYS 2302 HG3 -0.03 -0.01 0.04 -0.04 1.46 1.42 1mx9B1 LYS 2302 HD2 -0.04 0.03 0.01 -0.04 1.69 1.65 1mx9B1 LYS 2302 HD3 -0.03 -0.06 -0.00 -0.04 1.68 1.55 1mx9B1 LYS 2302 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 1mx9B1 LYS 2302 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.92 1mx9B1 PHE 2303 H -0.23 0.05 -0.07 -0.55 8.34 7.53 1mx9B1 PHE 2303 HA 0.01 0.17 0.42 -0.75 4.62 4.47 1mx9B1 PHE 2303 HB2 0.04 -0.13 0.02 -0.04 3.15 3.04 1mx9B1 PHE 2303 HB3 0.03 0.04 0.18 -0.04 3.06 3.26 1mx9B1 PHE 2303 HD2 0.04 0.04 -0.05 -0.04 7.28 7.28 1mx9B1 PHE 2303 HE2 0.04 -0.02 -0.02 -0.04 7.38 7.34 1mx9B1 PHE 2303 HZ 0.05 -0.03 -0.05 -0.04 7.32 7.24 1mx9B1 LEU 2304 H 0.18 0.55 0.29 -0.55 8.37 8.84 1mx9B1 LEU 2304 HA 0.06 -0.04 0.32 -0.75 4.35 3.93 1mx9B1 LEU 2304 HB2 0.07 0.15 -0.16 -0.04 1.64 1.66 1mx9B1 LEU 2304 HB3 0.03 -0.04 0.15 -0.04 1.64 1.74 1mx9B1 LEU 2304 HG 0.12 -0.02 -0.11 -0.04 1.64 1.59 1mx9B1 LEU 2304 HD13 0.06 -0.03 -0.10 -0.04 0.93 0.82 1mx9B1 LEU 2304 HD23 0.02 -0.00 0.02 -0.04 0.89 0.89 1mx9B1 SER 2305 H 0.07 0.20 -0.22 -0.55 8.46 7.96 1mx9B1 SER 2305 HA 0.03 0.13 0.78 -0.75 4.49 4.68 1mx9B1 SER 2305 HB2 0.02 0.27 -0.13 -0.04 3.95 4.07 1mx9B1 SER 2305 HB3 0.01 -0.06 -0.17 -0.04 3.93 3.67 1mx9B1 LEU 2306 H 0.04 0.59 0.14 -0.55 8.37 8.60 1mx9B1 LEU 2306 HA 0.03 0.06 0.59 -0.75 4.35 4.28 1mx9B1 LEU 2306 HB2 0.15 -0.09 0.00 -0.04 1.64 1.66 1mx9B1 LEU 2306 HB3 -0.01 0.09 0.12 -0.04 1.64 1.80 1mx9B1 LEU 2306 HG -0.06 0.15 -0.32 -0.04 1.64 1.36 1mx9B1 LEU 2306 HD13 0.11 -0.00 -0.09 -0.04 0.93 0.91 1mx9B1 LEU 2306 HD23 -0.40 -0.05 -0.08 -0.04 0.89 0.33 1mx9B1 ASP 2307 H -0.00 0.24 0.14 -0.55 8.40 8.23 1mx9B1 ASP 2307 HA -0.02 -0.04 0.39 -0.75 4.63 4.21 1mx9B1 ASP 2307 HB2 -0.01 0.10 0.10 -0.04 2.71 2.85 1mx9B1 ASP 2307 HB3 -0.03 -0.01 0.13 -0.04 2.70 2.76 1mx9B1 LEU 2308 H -0.03 0.08 0.26 -0.55 8.37 8.13 1mx9B1 LEU 2308 HA -0.06 0.20 0.73 -0.75 4.35 4.47 1mx9B1 LEU 2308 HB2 -0.03 -0.04 0.14 -0.04 1.64 1.66 1mx9B1 LEU 2308 HB3 -0.03 -0.08 0.09 -0.04 1.64 1.58 1mx9B1 LEU 2308 HG -0.06 0.25 0.06 -0.04 1.64 1.85 1mx9B1 LEU 2308 HD13 -0.05 -0.04 0.05 -0.04 0.93 0.86 1mx9B1 LEU 2308 HD23 -0.10 0.00 -0.02 -0.04 0.89 0.73 1mx9B1 GLN 2309 H -0.02 0.04 -0.03 -0.55 8.47 7.91 1mx9B1 GLN 2309 HA -0.01 0.09 0.75 -0.75 4.36 4.44 1mx9B1 GLN 2309 HB2 -0.01 -0.04 0.08 -0.04 2.15 2.14 1mx9B1 GLN 2309 HB3 -0.01 0.04 0.03 -0.04 2.02 2.04 1mx9B1 GLN 2309 HG2 -0.00 -0.01 0.05 -0.04 2.40 2.39 1mx9B1 GLN 2309 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.34 1mx9B1 GLN 2309 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.89 1mx9B1 GLN 2309 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.64 1mx9B1 GLY 2310 H 0.00 0.07 0.16 -0.55 8.43 8.11 1mx9B1 GLY 2310 HA2 0.01 -0.05 0.31 -0.51 4.01 3.77 1mx9B1 GLY 2310 HA3 -0.01 0.16 0.57 -0.51 4.01 4.23 1mx9B1 ASP 2311 H 0.00 0.11 0.12 -0.55 8.40 8.08 1mx9B1 ASP 2311 HA 0.02 0.20 0.72 -0.75 4.63 4.82 1mx9B1 ASP 2311 HB2 0.04 0.00 0.08 -0.04 2.71 2.79 1mx9B1 ASP 2311 HB3 0.01 0.01 0.13 -0.04 2.70 2.80 1mx9B1 PRO 2312 HA -0.18 0.21 0.38 -0.51 4.44 4.33 1mx9B1 PRO 2312 HB2 -1.06 -0.09 0.11 -0.04 2.28 1.20 1mx9B1 PRO 2312 HB3 -0.52 0.08 0.12 -0.04 2.02 1.66 1mx9B1 PRO 2312 HG2 -1.40 0.02 -0.01 -0.04 2.03 0.60 1mx9B1 PRO 2312 HG3 -0.41 0.16 0.08 -0.04 2.03 1.83 1mx9B1 PRO 2312 HD2 -0.17 -0.03 0.23 -0.04 3.68 3.67 1mx9B1 PRO 2312 HD3 -0.08 0.33 0.32 -0.04 3.65 4.17 1mx9B1 ARG 2313 H -0.24 0.07 -0.14 -0.55 8.46 7.59 1mx9B1 ARG 2313 HA 0.06 0.11 0.37 -0.75 4.34 4.12 1mx9B1 ARG 2313 HB2 -0.05 -0.06 0.03 -0.04 1.90 1.78 1mx9B1 ARG 2313 HB3 -0.01 0.03 0.01 -0.04 1.80 1.79 1mx9B1 ARG 2313 HG2 -0.46 0.05 0.02 -0.04 1.67 1.24 1mx9B1 ARG 2313 HG3 -0.74 -0.02 0.03 -0.04 1.67 0.90 1mx9B1 ARG 2313 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 1mx9B1 ARG 2313 HD3 -0.04 -0.05 0.03 -0.04 3.22 3.12 1mx9B1 GLU 2314 H -0.04 0.28 -0.69 -0.55 8.60 7.60 1mx9B1 GLU 2314 HA 0.02 0.13 0.71 -0.75 4.29 4.39 1mx9B1 GLU 2314 HB2 -0.00 0.11 0.11 -0.04 2.09 2.27 1mx9B1 GLU 2314 HB3 0.01 -0.02 0.18 -0.04 1.99 2.12 1mx9B1 GLU 2314 HG2 0.01 0.02 -0.06 -0.04 2.34 2.28 1mx9B1 GLU 2314 HG3 0.01 -0.12 -0.14 -0.04 2.34 2.04 1mx9B1 SER 2315 H 0.01 0.39 -0.38 -0.55 8.46 7.93 1mx9B1 SER 2315 HA 0.01 0.13 1.03 -0.75 4.49 4.91 1mx9B1 SER 2315 HB2 -0.03 0.02 -0.06 -0.04 3.95 3.84 1mx9B1 SER 2315 HB3 -0.02 0.06 0.18 -0.04 3.93 4.11 1mx9B1 GLN 2316 H 0.06 0.21 0.06 -0.55 8.47 8.25 1mx9B1 GLN 2316 HA 0.03 0.20 0.92 -0.75 4.36 4.77 1mx9B1 GLN 2316 HB2 0.13 -0.01 0.17 -0.04 2.15 2.41 1mx9B1 GLN 2316 HB3 0.10 0.11 0.14 -0.04 2.02 2.32 1mx9B1 GLN 2316 HG2 0.04 -0.02 -0.28 -0.04 2.40 2.10 1mx9B1 GLN 2316 HG3 0.05 -0.09 -0.03 -0.04 2.39 2.29 1mx9B1 GLN 2316 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.92 1mx9B1 GLN 2316 HE22 0.01 -0.05 -0.06 -0.04 7.69 7.55 1mx9B1 PRO 2317 HA 0.17 0.13 0.51 -0.51 4.44 4.74 1mx9B1 PRO 2317 HB2 0.04 -0.11 0.03 -0.04 2.28 2.21 1mx9B1 PRO 2317 HB3 0.04 0.12 0.08 -0.04 2.02 2.22 1mx9B1 PRO 2317 HG2 -0.01 0.03 -0.00 -0.04 2.03 2.01 1mx9B1 PRO 2317 HG3 -0.01 0.04 -0.01 -0.04 2.03 2.02 1mx9B1 PRO 2317 HD2 -0.00 0.12 0.27 -0.04 3.68 4.02 1mx9B1 PRO 2317 HD3 0.01 0.24 -0.00 -0.04 3.65 3.86 1mx9B1 LEU 2318 H -0.01 0.15 -0.29 -0.55 8.37 7.67 1mx9B1 LEU 2318 HA -0.21 0.15 0.98 -0.75 4.35 4.52 1mx9B1 LEU 2318 HB2 -0.10 0.16 0.01 -0.04 1.64 1.67 1mx9B1 LEU 2318 HB3 -0.17 -0.06 -0.11 -0.04 1.64 1.26 1mx9B1 LEU 2318 HG -0.06 -0.05 -0.19 -0.04 1.64 1.30 1mx9B1 LEU 2318 HD13 -0.12 0.04 -0.05 -0.04 0.93 0.76 1mx9B1 LEU 2318 HD23 -0.11 0.01 0.13 -0.04 0.89 0.88 1mx9B1 LEU 2319 H -0.28 0.25 -0.04 -0.55 8.37 7.76 1mx9B1 LEU 2319 HA -0.15 0.15 0.66 -0.75 4.35 4.25 1mx9B1 LEU 2319 HB2 -0.34 -0.08 0.04 -0.04 1.64 1.22 1mx9B1 LEU 2319 HB3 -0.01 0.03 0.03 -0.04 1.64 1.64 1mx9B1 LEU 2319 HG -0.10 -0.15 -0.17 -0.04 1.64 1.17 1mx9B1 LEU 2319 HD13 0.10 0.00 -0.18 -0.04 0.93 0.81 1mx9B1 LEU 2319 HD23 -0.56 0.07 -0.17 -0.04 0.89 0.19 1mx9B1 GLY 2320 H -0.15 0.14 -0.14 -0.55 8.43 7.72 1mx9B1 GLY 2320 HA2 -0.51 0.14 0.78 -0.51 4.01 3.91 1mx9B1 GLY 2320 HA3 -0.22 0.18 0.31 -0.51 4.01 3.77 1mx9B1 THR 2321 H -0.14 0.57 0.35 -0.55 8.28 8.52 1mx9B1 THR 2321 HA 0.15 -0.00 0.58 -0.75 4.39 4.36 1mx9B1 THR 2321 HB -0.04 -0.01 0.09 -0.04 4.32 4.33 1mx9B1 THR 2321 HG23 -0.05 0.01 -0.06 -0.04 1.22 1.08 1mx9B1 VAL 2322 H -0.00 0.15 0.24 -0.55 8.24 8.07 1mx9B1 VAL 2322 HA -0.07 0.36 0.91 -0.75 4.13 4.59 1mx9B1 VAL 2322 HB -0.09 -0.00 0.00 -0.04 2.12 1.99 1mx9B1 VAL 2322 HG13 -0.07 0.04 -0.19 -0.04 0.97 0.72 1mx9B1 VAL 2322 HG23 -0.13 -0.01 -0.11 -0.04 0.95 0.66 1mx9B1 ILE 2323 H -0.07 0.26 0.05 -0.55 8.25 7.94 1mx9B1 ILE 2323 HA -0.07 0.10 0.55 -0.75 4.18 4.00 1mx9B1 ILE 2323 HB -0.06 -0.01 0.13 -0.04 1.89 1.92 1mx9B1 ILE 2323 HG12 -0.06 0.07 0.01 -0.04 1.49 1.47 1mx9B1 ILE 2323 HG13 -0.05 -0.10 -0.15 -0.04 1.21 0.87 1mx9B1 ILE 2323 HG23 -0.05 0.01 -0.28 -0.04 0.93 0.57 1mx9B1 ILE 2323 HD13 -0.07 0.07 -0.26 -0.04 0.88 0.57 1mx9B1 ASP 2324 H -0.09 0.39 -0.05 -0.55 8.40 8.09 1mx9B1 ASP 2324 HA -0.10 0.12 0.25 -0.75 4.63 4.14 1mx9B1 ASP 2324 HB2 -0.15 -0.00 -0.11 -0.04 2.71 2.40 1mx9B1 ASP 2324 HB3 -0.18 0.09 -0.19 -0.04 2.70 2.38 1mx9B1 GLY 2325 H -0.06 0.35 -0.14 -0.55 8.43 8.03 1mx9B1 GLY 2325 HA2 -0.04 0.08 0.20 -0.51 4.01 3.74 1mx9B1 GLY 2325 HA3 -0.04 0.16 0.61 -0.51 4.01 4.23 1mx9B1 MET 2326 H -0.06 -0.20 -0.21 -0.55 8.47 7.46 1mx9B1 MET 2326 HA -0.02 0.24 0.72 -0.75 4.52 4.72 1mx9B1 MET 2326 HB2 -0.04 -0.11 -0.00 -0.04 2.15 1.96 1mx9B1 MET 2326 HB3 0.00 0.06 -0.05 -0.04 2.03 2.00 1mx9B1 MET 2326 HG2 -0.02 0.01 -0.44 -0.04 2.63 2.13 1mx9B1 MET 2326 HG3 0.02 0.00 -0.11 -0.04 2.56 2.43 1mx9B1 MET 2326 HE3 0.04 -0.01 -0.03 -0.04 2.10 2.06 1mx9B1 LEU 2327 H -0.06 -0.01 0.07 -0.55 8.37 7.82 1mx9B1 LEU 2327 HA -0.05 0.15 0.56 -0.75 4.35 4.26 1mx9B1 LEU 2327 HB2 -0.05 0.04 0.05 -0.04 1.64 1.64 1mx9B1 LEU 2327 HB3 -0.09 -0.08 0.11 -0.04 1.64 1.54 1mx9B1 LEU 2327 HG -0.13 0.06 -0.12 -0.04 1.64 1.41 1mx9B1 LEU 2327 HD13 -0.04 0.01 -0.11 -0.04 0.93 0.75 1mx9B1 LEU 2327 HD23 -0.24 -0.01 -0.06 -0.04 0.89 0.54 1mx9B1 LEU 2328 H -0.08 -0.09 0.03 -0.55 8.37 7.69 1mx9B1 LEU 2328 HA -0.08 0.29 0.85 -0.75 4.35 4.65 1mx9B1 LEU 2328 HB2 -0.09 -0.12 0.15 -0.04 1.64 1.53 1mx9B1 LEU 2328 HB3 -0.09 0.23 0.00 -0.04 1.64 1.75 1mx9B1 LEU 2328 HG -0.15 -0.10 -0.32 -0.04 1.64 1.03 1mx9B1 LEU 2328 HD13 -0.14 0.01 -0.09 -0.04 0.93 0.67 1mx9B1 LEU 2328 HD23 -0.13 0.08 -0.06 -0.04 0.89 0.74 1mx9B1 LEU 2329 H -0.05 0.29 0.02 -0.55 8.37 8.08 1mx9B1 LEU 2329 HA -0.04 0.06 0.50 -0.75 4.35 4.12 1mx9B1 LEU 2329 HB2 -0.03 0.05 0.00 -0.04 1.64 1.62 1mx9B1 LEU 2329 HB3 -0.02 -0.00 0.04 -0.04 1.64 1.62 1mx9B1 LEU 2329 HG -0.03 0.03 -0.15 -0.04 1.64 1.45 1mx9B1 LEU 2329 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.86 1mx9B1 LEU 2329 HD23 -0.02 -0.05 -0.26 -0.04 0.89 0.52 1mx9B1 LYS 2330 H -0.05 0.18 -0.14 -0.55 8.42 7.86 1mx9B1 LYS 2330 HA -0.03 0.15 0.57 -0.75 4.32 4.25 1mx9B1 LYS 2330 HB2 -0.02 0.05 -0.12 -0.04 1.87 1.73 1mx9B1 LYS 2330 HB3 -0.02 -0.14 0.11 -0.04 1.79 1.70 1mx9B1 LYS 2330 HG2 -0.02 0.10 -0.04 -0.04 1.46 1.46 1mx9B1 LYS 2330 HG3 -0.02 -0.05 -0.52 -0.04 1.46 0.83 1mx9B1 LYS 2330 HD2 0.00 0.05 -0.17 -0.04 1.69 1.53 1mx9B1 LYS 2330 HD3 -0.00 -0.06 -0.07 -0.04 1.68 1.51 1mx9B1 LYS 2330 HE2 -0.00 -0.01 -0.04 -0.04 2.99 2.89 1mx9B1 LYS 2330 HE3 0.00 0.03 -0.09 -0.04 2.99 2.89 1mx9B1 THR 2331 H -0.03 0.10 0.10 -0.55 8.28 7.90 1mx9B1 THR 2331 HA -0.06 0.19 0.45 -0.75 4.39 4.22 1mx9B1 THR 2331 HB -0.05 0.09 0.07 -0.04 4.32 4.39 1mx9B1 THR 2331 HG23 -0.04 0.02 0.05 -0.04 1.22 1.22 1mx9B1 PRO 2332 HA -0.06 0.15 0.29 -0.51 4.44 4.32 1mx9B1 PRO 2332 HB2 -0.05 -0.02 -0.03 -0.04 2.28 2.13 1mx9B1 PRO 2332 HB3 -0.05 0.04 -0.08 -0.04 2.02 1.89 1mx9B1 PRO 2332 HG2 -0.08 0.21 0.04 -0.04 2.03 2.16 1mx9B1 PRO 2332 HG3 -0.09 0.07 0.01 -0.04 2.03 1.98 1mx9B1 PRO 2332 HD2 -0.07 0.09 0.13 -0.04 3.68 3.80 1mx9B1 PRO 2332 HD3 -0.07 0.14 0.14 -0.04 3.65 3.82 1mx9B1 GLU 2333 H -0.04 0.11 -0.23 -0.55 8.60 7.90 1mx9B1 GLU 2333 HA -0.01 0.09 0.25 -0.75 4.29 3.87 1mx9B1 GLU 2333 HB2 -0.03 -0.08 -0.01 -0.04 2.09 1.93 1mx9B1 GLU 2333 HB3 -0.01 0.06 -0.04 -0.04 1.99 1.95 1mx9B1 GLU 2333 HG2 -0.05 0.05 -0.01 -0.04 2.34 2.29 1mx9B1 GLU 2333 HG3 -0.04 0.02 -0.01 -0.04 2.34 2.27 1mx9B1 GLU 2334 H -0.02 0.03 -0.36 -0.55 8.60 7.70 1mx9B1 GLU 2334 HA 0.01 0.06 0.49 -0.75 4.29 4.09 1mx9B1 GLU 2334 HB2 -0.02 -0.02 0.13 -0.04 2.09 2.15 1mx9B1 GLU 2334 HB3 -0.00 0.04 -0.03 -0.04 1.99 1.96 1mx9B1 GLU 2334 HG2 -0.00 0.05 0.02 -0.04 2.34 2.37 1mx9B1 GLU 2334 HG3 -0.01 -0.05 0.00 -0.04 2.34 2.23 1mx9B1 LEU 2335 H -0.01 0.56 -0.09 -0.55 8.37 8.28 1mx9B1 LEU 2335 HA 0.03 -0.04 0.27 -0.75 4.35 3.86 1mx9B1 LEU 2335 HB2 -0.05 0.04 -0.02 -0.04 1.64 1.56 1mx9B1 LEU 2335 HB3 -0.08 0.11 -0.02 -0.04 1.64 1.61 1mx9B1 LEU 2335 HG -0.04 -0.13 -0.23 -0.04 1.64 1.20 1mx9B1 LEU 2335 HD13 -0.09 -0.04 -0.13 -0.04 0.93 0.62 1mx9B1 LEU 2335 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.77 1mx9B1 GLN 2336 H 0.04 0.19 -0.73 -0.55 8.47 7.41 1mx9B1 GLN 2336 HA 0.20 0.14 0.51 -0.75 4.36 4.45 1mx9B1 GLN 2336 HB2 0.05 0.08 0.01 -0.04 2.15 2.25 1mx9B1 GLN 2336 HB3 0.10 -0.06 -0.06 -0.04 2.02 1.95 1mx9B1 GLN 2336 HG2 0.10 0.04 -0.12 -0.04 2.40 2.38 1mx9B1 GLN 2336 HG3 0.03 0.24 -0.15 -0.04 2.39 2.47 1mx9B1 GLN 2336 HE21 0.03 -0.10 -0.16 -0.04 6.97 6.69 1mx9B1 GLN 2336 HE22 0.03 0.07 -0.11 -0.04 7.69 7.64 1mx9B1 ALA 2337 H 0.05 0.24 -0.10 -0.55 8.40 8.04 1mx9B1 ALA 2337 HA 0.04 -0.05 0.36 -0.75 4.34 3.94 1mx9B1 ALA 2337 HB3 0.03 -0.04 0.15 -0.04 1.41 1.50 1mx9B1 GLU 2338 H 0.05 0.13 -0.03 -0.55 8.60 8.21 1mx9B1 GLU 2338 HA 0.03 -0.09 0.39 -0.75 4.29 3.87 1mx9B1 GLU 2338 HB2 0.06 -0.01 -0.06 -0.04 2.09 2.04 1mx9B1 GLU 2338 HB3 0.04 -0.10 0.05 -0.04 1.99 1.93 1mx9B1 GLU 2338 HG2 0.06 0.02 -0.01 -0.04 2.34 2.37 1mx9B1 GLU 2338 HG3 0.13 0.28 -0.12 -0.04 2.34 2.59 1mx9B1 ARG 2339 H 0.01 -0.10 0.13 -0.55 8.46 7.94 1mx9B1 ARG 2339 HA 0.03 0.51 1.41 -0.75 4.34 5.54 1mx9B1 ARG 2339 HB2 -0.06 -0.17 0.18 -0.04 1.90 1.81 1mx9B1 ARG 2339 HB3 -0.15 0.03 0.02 -0.04 1.80 1.66 1mx9B1 ARG 2339 HG2 0.01 0.19 -0.07 -0.04 1.67 1.75 1mx9B1 ARG 2339 HG3 0.01 0.28 -0.09 -0.04 1.67 1.82 1mx9B1 ARG 2339 HD2 -0.03 -0.13 -0.01 -0.04 3.22 3.02 1mx9B1 ARG 2339 HD3 -0.05 0.02 -0.08 -0.04 3.22 3.06 1mx9B1 ASN 2340 H -0.10 -0.00 0.12 -0.55 8.53 8.00 1mx9B1 ASN 2340 HA -0.36 0.10 0.38 -0.75 4.76 4.13 1mx9B1 ASN 2340 HB2 -0.10 -0.04 0.19 -0.04 2.88 2.88 1mx9B1 ASN 2340 HB3 -0.06 -0.05 0.22 -0.04 2.79 2.86 1mx9B1 ASN 2340 HD21 -0.09 -0.00 0.02 -0.04 7.03 6.92 1mx9B1 ASN 2340 HD22 -0.08 -0.05 0.06 -0.04 7.74 7.62 1mx9B1 PHE 2341 H -0.94 0.24 0.29 -0.55 8.34 7.38 1mx9B1 PHE 2341 HA 0.02 0.09 0.78 -0.75 4.62 4.77 1mx9B1 PHE 2341 HB2 0.05 0.08 -0.02 -0.04 3.15 3.22 1mx9B1 PHE 2341 HB3 0.03 -0.04 0.03 -0.04 3.06 3.04 1mx9B1 PHE 2341 HD2 0.05 -0.05 -0.11 -0.04 7.28 7.13 1mx9B1 PHE 2341 HE2 0.10 0.06 0.04 -0.04 7.38 7.54 1mx9B1 PHE 2341 HZ 0.12 -0.10 -0.03 -0.04 7.32 7.27 1mx9B1 HIS 2342 H 0.29 0.14 -0.11 -0.55 8.41 8.19 1mx9B1 HIS 2342 HA -0.01 -0.01 0.38 -0.75 4.63 4.24 1mx9B1 HIS 2342 HB2 0.02 0.13 0.15 -0.04 3.26 3.52 1mx9B1 HIS 2342 HB3 0.04 0.01 0.01 -0.04 3.20 3.22 1mx9B1 HIS 2342 HD2 -0.02 -0.09 0.03 -0.04 6.97 6.84 1mx9B1 HIS 2342 HE1 -0.09 0.03 0.02 -0.04 7.75 7.66 1mx9B1 THR 2343 H -0.13 0.08 0.13 -0.55 8.28 7.81 1mx9B1 THR 2343 HA 0.24 0.11 0.58 -0.75 4.39 4.56 1mx9B1 THR 2343 HB -0.11 0.07 -0.00 -0.04 4.32 4.23 1mx9B1 THR 2343 HG23 -0.32 -0.01 0.02 -0.04 1.22 0.86 1mx9B1 VAL 2344 H 0.33 0.17 0.17 -0.55 8.24 8.36 1mx9B1 VAL 2344 HA 0.07 0.18 0.84 -0.75 4.13 4.47 1mx9B1 VAL 2344 HB 0.09 0.22 -0.08 -0.04 2.12 2.30 1mx9B1 VAL 2344 HG13 -0.04 0.04 -0.22 -0.04 0.97 0.71 1mx9B1 VAL 2344 HG23 0.21 -0.02 -0.37 -0.04 0.95 0.74 1mx9B1 PRO 2345 HA 0.34 0.27 0.58 -0.51 4.44 5.12 1mx9B1 PRO 2345 HB2 -0.12 -0.10 0.22 -0.04 2.28 2.25 1mx9B1 PRO 2345 HB3 0.21 0.10 0.16 -0.04 2.02 2.44 1mx9B1 PRO 2345 HG2 -0.07 0.05 0.21 -0.04 2.03 2.19 1mx9B1 PRO 2345 HG3 0.07 -0.03 0.17 -0.04 2.03 2.20 1mx9B1 PRO 2345 HD2 0.03 0.50 0.40 -0.04 3.68 4.57 1mx9B1 PRO 2345 HD3 0.05 0.09 0.29 -0.04 3.65 4.04 1mx9B1 TYR 2346 H 0.43 0.57 0.34 -0.55 8.29 9.07 1mx9B1 TYR 2346 HA 0.12 0.22 0.98 -0.75 4.56 5.12 1mx9B1 TYR 2346 HB2 -0.43 0.15 -0.09 -0.04 3.06 2.65 1mx9B1 TYR 2346 HB3 -0.62 -0.03 0.19 -0.04 2.98 2.48 1mx9B1 TYR 2346 HD2 -0.36 0.13 -0.10 -0.04 7.15 6.77 1mx9B1 TYR 2346 HE2 -0.07 -0.07 -0.13 -0.04 6.85 6.54 1mx9B1 MET 2347 H 0.18 0.89 0.41 -0.55 8.47 9.39 1mx9B1 MET 2347 HA -0.17 0.08 0.89 -0.75 4.52 4.57 1mx9B1 MET 2347 HB2 -1.29 0.05 -0.02 -0.04 2.15 0.84 1mx9B1 MET 2347 HB3 -0.51 -0.04 0.17 -0.04 2.03 1.62 1mx9B1 MET 2347 HG2 -0.10 -0.04 -0.36 -0.04 2.63 2.09 1mx9B1 MET 2347 HG3 -0.43 -0.03 -0.18 -0.04 2.56 1.88 1mx9B1 MET 2347 HE3 -1.55 0.03 -0.17 -0.04 2.10 0.37 1mx9B1 VAL 2348 H -0.20 0.93 0.43 -0.55 8.24 8.86 1mx9B1 VAL 2348 HA -0.19 0.18 1.09 -0.75 4.13 4.45 1mx9B1 VAL 2348 HB -0.38 0.02 0.15 -0.04 2.12 1.86 1mx9B1 VAL 2348 HG13 -0.24 -0.02 -0.10 -0.04 0.97 0.57 1mx9B1 VAL 2348 HG23 -0.96 0.02 -0.25 -0.04 0.95 -0.29 1mx9B1 GLY 2349 H -0.24 0.63 0.39 -0.55 8.43 8.66 1mx9B1 GLY 2349 HA2 -0.60 0.16 1.08 -0.51 4.01 4.14 1mx9B1 GLY 2349 HA3 -1.93 -0.00 0.35 -0.51 4.01 1.92 1mx9B1 ILE 2350 H -0.26 0.64 0.42 -0.55 8.25 8.51 1mx9B1 ILE 2350 HA -0.04 0.03 0.96 -0.75 4.18 4.38 1mx9B1 ILE 2350 HB 0.04 -0.05 0.10 -0.04 1.89 1.94 1mx9B1 ILE 2350 HG12 -0.06 0.12 0.11 -0.04 1.49 1.62 1mx9B1 ILE 2350 HG13 0.04 -0.06 -0.35 -0.04 1.21 0.81 1mx9B1 ILE 2350 HG23 -0.01 0.01 -0.24 -0.04 0.93 0.64 1mx9B1 ILE 2350 HD13 -0.00 0.01 -0.07 -0.04 0.88 0.78 1mx9B1 ASN 2351 H 0.02 0.15 0.22 -0.55 8.53 8.38 1mx9B1 ASN 2351 HA 0.26 0.05 1.11 -0.75 4.76 5.43 1mx9B1 ASN 2351 HB2 0.05 -0.12 0.03 -0.04 2.88 2.80 1mx9B1 ASN 2351 HB3 0.19 0.34 0.08 -0.04 2.79 3.36 1mx9B1 ASN 2351 HD21 -0.15 -0.20 -0.01 -0.04 7.03 6.63 1mx9B1 ASN 2351 HD22 0.00 0.37 0.05 -0.04 7.74 8.13 1mx9B1 LYS 2352 H 0.19 0.71 0.33 -0.55 8.42 9.10 1mx9B1 LYS 2352 HA 0.11 -0.00 0.34 -0.75 4.32 4.02 1mx9B1 LYS 2352 HB2 0.11 0.01 0.10 -0.04 1.87 2.05 1mx9B1 LYS 2352 HB3 0.11 0.06 0.17 -0.04 1.79 2.09 1mx9B1 LYS 2352 HG2 0.06 -0.01 -0.04 -0.04 1.46 1.43 1mx9B1 LYS 2352 HG3 0.08 0.01 -0.12 -0.04 1.46 1.39 1mx9B1 LYS 2352 HD2 0.09 -0.03 0.04 -0.04 1.69 1.75 1mx9B1 LYS 2352 HD3 0.08 0.01 -0.04 -0.04 1.68 1.69 1mx9B1 LYS 2352 HE2 0.06 0.02 -0.02 -0.04 2.99 3.00 1mx9B1 LYS 2352 HE3 0.07 -0.01 -0.01 -0.04 2.99 3.00 1mx9B1 GLN 2353 H 0.14 0.52 -0.10 -0.55 8.47 8.48 1mx9B1 GLN 2353 HA 0.13 0.24 1.06 -0.75 4.36 5.03 1mx9B1 GLN 2353 HB2 0.13 0.01 -0.11 -0.04 2.15 2.15 1mx9B1 GLN 2353 HB3 0.14 -0.15 0.11 -0.04 2.02 2.08 1mx9B1 GLN 2353 HG2 0.11 0.03 -0.08 -0.04 2.40 2.42 1mx9B1 GLN 2353 HG3 0.10 0.10 -0.11 -0.04 2.39 2.43 1mx9B1 GLN 2353 HE21 0.10 0.04 0.00 -0.04 6.97 7.07 1mx9B1 GLN 2353 HE22 0.13 -0.04 0.01 -0.04 7.69 7.75 1mx9B1 GLU 2354 H 0.13 0.42 -0.11 -0.55 8.60 8.49 1mx9B1 GLU 2354 HA 0.09 -0.03 0.31 -0.75 4.29 3.90 1mx9B1 GLU 2354 HB2 0.26 -0.01 0.14 -0.04 2.09 2.44 1mx9B1 GLU 2354 HB3 0.06 0.02 0.07 -0.04 1.99 2.10 1mx9B1 GLU 2354 HG2 0.06 0.39 0.18 -0.04 2.34 2.94 1mx9B1 GLU 2354 HG3 0.13 0.01 0.12 -0.04 2.34 2.56 1mx9B1 PHE 2355 H 0.25 0.15 -0.33 -0.55 8.34 7.86 1mx9B1 PHE 2355 HA 0.02 0.10 0.84 -0.75 4.62 4.83 1mx9B1 PHE 2355 HB2 0.01 -0.05 -0.06 -0.04 3.15 3.02 1mx9B1 PHE 2355 HB3 -0.05 0.08 0.09 -0.04 3.06 3.14 1mx9B1 PHE 2355 HD2 -0.10 0.00 0.01 -0.04 7.28 7.15 1mx9B1 PHE 2355 HE2 -0.55 0.04 -0.06 -0.04 7.38 6.77 1mx9B1 PHE 2355 HZ -1.04 0.07 -0.09 -0.04 7.32 6.22 1mx9B1 GLY 2356 H 0.16 0.51 -0.13 -0.55 8.43 8.42 1mx9B1 GLY 2356 HA2 0.18 0.10 0.42 -0.51 4.01 4.20 1mx9B1 GLY 2356 HA3 0.18 0.04 0.30 -0.51 4.01 4.02 1mx9B1 TRP 2357 H 0.18 -0.13 -0.01 -0.55 7.97 7.47 1mx9B1 TRP 2357 HA -0.01 0.24 0.65 -0.75 4.62 4.75 1mx9B1 TRP 2357 HB2 0.03 0.10 -0.20 -0.04 3.23 3.12 1mx9B1 TRP 2357 HB3 0.04 -0.10 0.04 -0.04 3.23 3.16 1mx9B1 TRP 2357 HD1 0.03 0.04 0.09 -0.04 7.22 7.34 1mx9B1 TRP 2357 HE1 0.02 0.13 -0.01 -0.04 10.20 10.30 1mx9B1 TRP 2357 HE3 0.05 -0.10 -0.09 -0.04 7.59 7.40 1mx9B1 TRP 2357 HZ2 0.01 0.03 -0.18 -0.04 7.44 7.26 1mx9B1 TRP 2357 HZ3 0.04 0.04 -0.03 -0.04 7.13 7.14 1mx9B1 TRP 2357 HH2 0.01 0.01 -0.07 -0.04 7.19 7.10 1mx9B1 LEU 2358 H 0.32 0.02 0.15 -0.55 8.37 8.30 1mx9B1 LEU 2358 HA -0.36 0.13 0.35 -0.75 4.35 3.72 1mx9B1 LEU 2358 HB2 0.37 0.03 0.17 -0.04 1.64 2.17 1mx9B1 LEU 2358 HB3 0.16 -0.10 0.17 -0.04 1.64 1.82 1mx9B1 LEU 2358 HG 0.02 0.03 0.03 -0.04 1.64 1.68 1mx9B1 LEU 2358 HD13 0.37 0.05 -0.02 -0.04 0.93 1.28 1mx9B1 LEU 2358 HD23 0.03 -0.01 -0.24 -0.04 0.89 0.63 1mx9B1 ILE 2359 H -0.24 -0.01 -0.08 -0.55 8.25 7.37 1mx9B1 ILE 2359 HA -0.30 0.08 0.34 -0.75 4.18 3.54 1mx9B1 ILE 2359 HB -1.32 0.03 0.11 -0.04 1.89 0.66 1mx9B1 ILE 2359 HG12 -0.29 -0.04 0.10 -0.04 1.49 1.21 1mx9B1 ILE 2359 HG13 -0.22 -0.09 0.26 -0.04 1.21 1.11 1mx9B1 ILE 2359 HG23 -0.56 0.01 -0.17 -0.04 0.93 0.18 1mx9B1 ILE 2359 HD13 0.15 -0.02 -0.01 -0.04 0.88 0.96 1mx9B1 PRO 2360 HA -0.25 0.05 0.34 -0.51 4.44 4.08 1mx9B1 PRO 2360 HB2 -0.05 0.07 -0.07 -0.04 2.28 2.18 1mx9B1 PRO 2360 HB3 -0.32 0.03 0.03 -0.04 2.02 1.72 1mx9B1 PRO 2360 HG2 -0.35 0.16 -0.09 -0.04 2.03 1.71 1mx9B1 PRO 2360 HG3 -0.20 0.17 -0.14 -0.04 2.03 1.82 1mx9B1 PRO 2360 HD2 -0.63 -0.20 -0.30 -0.04 3.68 2.52 1mx9B1 PRO 2360 HD3 -1.96 0.15 0.01 -0.04 3.65 1.81 1mx9B1 MET 2361 H -0.51 0.43 -0.33 -0.55 8.47 7.51 1mx9B1 MET 2361 HA -0.28 0.01 0.39 -0.75 4.52 3.89 1mx9B1 MET 2361 HB2 -1.18 0.03 0.09 -0.04 2.15 1.04 1mx9B1 MET 2361 HB3 -0.91 0.10 0.10 -0.04 2.03 1.27 1mx9B1 MET 2361 HG2 -0.34 -0.02 0.03 -0.04 2.63 2.26 1mx9B1 MET 2361 HG3 -0.97 -0.06 -0.05 -0.04 2.56 1.44 1mx9B1 MET 2361 HE3 -0.44 0.01 -0.04 -0.04 2.10 1.59 1mx9B1 LEU 2363 H -0.31 0.47 -0.07 -0.55 8.37 7.90 1mx9B1 LEU 2363 HA -0.14 0.03 0.54 -0.75 4.35 4.03 1mx9B1 LEU 2363 HB2 -0.17 0.10 0.19 -0.04 1.64 1.71 1mx9B1 LEU 2363 HB3 -0.10 -0.01 0.03 -0.04 1.64 1.52 1mx9B1 LEU 2363 HG -0.22 0.08 0.08 -0.04 1.64 1.54 1mx9B1 LEU 2363 HD13 -0.13 -0.04 -0.03 -0.04 0.93 0.69 1mx9B1 LEU 2363 HD23 -0.12 -0.01 -0.01 -0.04 0.89 0.70 1mx9B1 MET 2364 H -0.13 0.35 -0.13 -0.55 8.47 8.02 1mx9B1 MET 2364 HA 0.00 0.40 0.63 -0.75 4.52 4.81 1mx9B1 MET 2364 HB2 0.10 -0.08 -0.07 -0.04 2.15 2.06 1mx9B1 MET 2364 HB3 0.11 -0.07 -0.03 -0.04 2.03 1.99 1mx9B1 MET 2364 HG2 -0.06 0.01 -0.16 -0.04 2.63 2.39 1mx9B1 MET 2364 HG3 -0.14 -0.01 -0.22 -0.04 2.56 2.16 1mx9B1 MET 2364 HE3 0.05 0.06 -0.38 -0.04 2.10 1.79 1mx9B1 SER 2365 H -0.04 0.25 -0.56 -0.55 8.46 7.57 1mx9B1 SER 2365 HA -0.01 0.02 0.30 -0.75 4.49 4.05 1mx9B1 SER 2365 HB2 0.01 0.13 -0.08 -0.04 3.95 3.96 1mx9B1 SER 2365 HB3 0.00 -0.09 0.19 -0.04 3.93 3.99 1mx9B1 TYR 2366 H 0.15 0.47 -0.04 -0.55 8.29 8.32 1mx9B1 TYR 2366 HA 0.05 0.16 0.40 -0.75 4.56 4.42 1mx9B1 TYR 2366 HB2 0.02 -0.07 0.10 -0.04 3.06 3.07 1mx9B1 TYR 2366 HB3 0.09 -0.11 -0.12 -0.04 2.98 2.80 1mx9B1 TYR 2366 HD2 0.19 -0.01 -0.13 -0.04 7.15 7.16 1mx9B1 TYR 2366 HE2 0.26 -0.01 -0.10 -0.04 6.85 6.97 1mx9B1 PRO 2367 HA 0.02 0.12 0.51 -0.51 4.44 4.58 1mx9B1 PRO 2367 HB2 -0.06 -0.06 0.24 -0.04 2.28 2.37 1mx9B1 PRO 2367 HB3 -0.03 0.02 0.13 -0.04 2.02 2.09 1mx9B1 PRO 2367 HG2 -0.13 0.03 0.09 -0.04 2.03 1.98 1mx9B1 PRO 2367 HG3 -0.08 0.17 0.08 -0.04 2.03 2.17 1mx9B1 PRO 2367 HD2 -0.45 0.02 0.11 -0.04 3.68 3.31 1mx9B1 PRO 2367 HD3 -0.33 0.25 0.26 -0.04 3.65 3.79 1mx9B1 LEU 2368 H 0.11 0.49 -0.17 -0.55 8.37 8.25 1mx9B1 LEU 2368 HA 0.08 0.17 0.99 -0.75 4.35 4.83 1mx9B1 LEU 2368 HB2 0.22 0.09 0.01 -0.04 1.64 1.93 1mx9B1 LEU 2368 HB3 0.16 -0.09 0.21 -0.04 1.64 1.88 1mx9B1 LEU 2368 HG 0.15 -0.09 -0.00 -0.04 1.64 1.66 1mx9B1 LEU 2368 HD13 0.33 0.09 -0.48 -0.04 0.93 0.83 1mx9B1 LEU 2368 HD23 0.39 0.01 -0.03 -0.04 0.89 1.21 1mx9B1 SER 2369 H 0.05 0.25 -0.21 -0.55 8.46 7.99 1mx9B1 SER 2369 HA 0.06 0.20 0.65 -0.75 4.49 4.66 1mx9B1 SER 2369 HB2 0.04 0.05 0.02 -0.04 3.95 4.02 1mx9B1 SER 2369 HB3 0.03 0.01 0.09 -0.04 3.93 4.01 1mx9B1 GLU 2370 H 0.06 -0.01 -0.41 -0.55 8.60 7.69 1mx9B1 GLU 2370 HA 0.04 0.21 0.59 -0.75 4.29 4.37 1mx9B1 GLU 2370 HB2 0.03 -0.06 -0.23 -0.04 2.09 1.78 1mx9B1 GLU 2370 HB3 0.03 -0.14 -0.13 -0.04 1.99 1.71 1mx9B1 GLU 2370 HG2 0.02 0.28 -0.02 -0.04 2.34 2.58 1mx9B1 GLU 2370 HG3 0.02 -0.04 -0.06 -0.04 2.34 2.22 1mx9B1 GLY 2371 H 0.06 0.03 0.04 -0.55 8.43 8.02 1mx9B1 GLY 2371 HA2 0.08 0.03 0.36 -0.51 4.01 3.97 1mx9B1 GLY 2371 HA3 0.07 0.12 0.34 -0.51 4.01 4.03 1mx9B1 GLN 2372 H 0.03 -0.02 -0.41 -0.55 8.47 7.52 1mx9B1 GLN 2372 HA 0.03 0.15 0.57 -0.75 4.36 4.35 1mx9B1 GLN 2372 HB2 0.02 -0.05 -0.09 -0.04 2.15 1.99 1mx9B1 GLN 2372 HB3 0.02 -0.06 0.07 -0.04 2.02 2.01 1mx9B1 GLN 2372 HG2 0.03 0.07 -0.26 -0.04 2.40 2.20 1mx9B1 GLN 2372 HG3 0.03 0.17 -0.16 -0.04 2.39 2.38 1mx9B1 GLN 2372 HE21 0.02 -0.03 -0.00 -0.04 6.97 6.91 1mx9B1 GLN 2372 HE22 0.02 0.10 -0.00 -0.04 7.69 7.77 1mx9B1 LEU 2373 H 0.02 -0.08 -0.10 -0.55 8.37 7.67 1mx9B1 LEU 2373 HA -0.03 -0.07 0.30 -0.75 4.35 3.80 1mx9B1 LEU 2373 HB2 -0.04 -0.04 0.06 -0.04 1.64 1.58 1mx9B1 LEU 2373 HB3 -0.02 0.03 -0.07 -0.04 1.64 1.54 1mx9B1 LEU 2373 HG -0.20 -0.04 -0.13 -0.04 1.64 1.23 1mx9B1 LEU 2373 HD13 -0.55 0.02 -0.05 -0.04 0.93 0.31 1mx9B1 LEU 2373 HD23 -0.15 0.00 -0.50 -0.04 0.89 0.20 1mx9B1 ASP 2374 H -0.04 0.07 0.16 -0.55 8.40 8.04 1mx9B1 ASP 2374 HA -0.00 0.27 0.88 -0.75 4.63 5.03 1mx9B1 ASP 2374 HB2 -0.00 -0.04 0.10 -0.04 2.71 2.73 1mx9B1 ASP 2374 HB3 -0.00 0.17 0.07 -0.04 2.70 2.89 1mx9B1 GLN 2375 H 0.01 0.26 0.11 -0.55 8.47 8.30 1mx9B1 GLN 2375 HA 0.01 0.08 0.26 -0.75 4.36 3.96 1mx9B1 GLN 2375 HB2 0.02 0.08 0.10 -0.04 2.15 2.31 1mx9B1 GLN 2375 HB3 0.02 0.01 0.02 -0.04 2.02 2.03 1mx9B1 GLN 2375 HG2 0.04 0.01 -0.11 -0.04 2.40 2.29 1mx9B1 GLN 2375 HG3 0.05 0.00 -0.03 -0.04 2.39 2.37 1mx9B1 GLN 2375 HE21 0.03 0.05 -0.01 -0.04 6.97 7.00 1mx9B1 GLN 2375 HE22 0.04 0.00 -0.07 -0.04 7.69 7.62 1mx9B1 LYS 2376 H -0.00 0.10 -0.19 -0.55 8.42 7.77 1mx9B1 LYS 2376 HA 0.01 0.12 0.44 -0.75 4.32 4.14 1mx9B1 LYS 2376 HB2 0.00 0.03 0.09 -0.04 1.87 1.95 1mx9B1 LYS 2376 HB3 -0.00 -0.06 0.07 -0.04 1.79 1.76 1mx9B1 LYS 2376 HG2 0.00 0.02 -0.17 -0.04 1.46 1.28 1mx9B1 LYS 2376 HG3 0.00 0.03 0.02 -0.04 1.46 1.47 1mx9B1 LYS 2376 HD2 0.00 0.01 -0.00 -0.04 1.69 1.66 1mx9B1 LYS 2376 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.60 1mx9B1 LYS 2376 HE2 0.00 0.01 -0.04 -0.04 2.99 2.92 1mx9B1 LYS 2376 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.95 1mx9B1 THR 2377 H -0.02 0.08 -0.10 -0.55 8.28 7.68 1mx9B1 THR 2377 HA -0.02 0.09 0.43 -0.75 4.39 4.14 1mx9B1 THR 2377 HB -0.05 -0.04 0.17 -0.04 4.32 4.35 1mx9B1 THR 2377 HG23 -0.06 0.02 -0.07 -0.04 1.22 1.07 1mx9B1 ALA 2378 H -0.08 0.48 -0.27 -0.55 8.40 7.99 1mx9B1 ALA 2378 HA -0.47 0.03 0.40 -0.75 4.34 3.55 1mx9B1 ALA 2378 HB3 -0.14 0.04 -0.04 -0.04 1.41 1.24 1mx9B1 MET 2379 H 0.02 0.52 -0.12 -0.55 8.47 8.34 1mx9B1 MET 2379 HA 0.16 0.01 0.36 -0.75 4.52 4.30 1mx9B1 MET 2379 HB2 0.05 0.15 0.11 -0.04 2.15 2.41 1mx9B1 MET 2379 HB3 0.07 -0.02 -0.03 -0.04 2.03 2.01 1mx9B1 MET 2379 HG2 0.09 -0.04 -0.11 -0.04 2.63 2.54 1mx9B1 MET 2379 HG3 0.06 0.23 0.08 -0.04 2.56 2.89 1mx9B1 MET 2379 HE3 0.02 0.00 -0.10 -0.04 2.10 1.98 1mx9B1 SER 2380 H 0.05 0.31 -0.31 -0.55 8.46 7.96 1mx9B1 SER 2380 HA 0.16 0.05 0.48 -0.75 4.49 4.43 1mx9B1 SER 2380 HB2 0.05 -0.03 0.10 -0.04 3.95 4.03 1mx9B1 SER 2380 HB3 0.02 0.11 0.18 -0.04 3.93 4.20 1mx9B1 LEU 2381 H 0.04 0.35 -0.22 -0.55 8.37 7.99 1mx9B1 LEU 2381 HA 0.03 0.12 0.56 -0.75 4.35 4.31 1mx9B1 LEU 2381 HB2 -0.01 0.04 0.20 -0.04 1.64 1.84 1mx9B1 LEU 2381 HB3 0.09 -0.02 -0.01 -0.04 1.64 1.66 1mx9B1 LEU 2381 HG -0.07 0.25 0.11 -0.04 1.64 1.89 1mx9B1 LEU 2381 HD13 -0.13 -0.03 -0.04 -0.04 0.93 0.69 1mx9B1 LEU 2381 HD23 -0.07 0.00 -0.01 -0.04 0.89 0.78 1mx9B1 LEU 2382 H 0.27 0.79 0.15 -0.55 8.37 9.03 1mx9B1 LEU 2382 HA 0.29 -0.01 0.28 -0.75 4.35 4.16 1mx9B1 LEU 2382 HB2 0.52 0.03 0.08 -0.04 1.64 2.22 1mx9B1 LEU 2382 HB3 0.30 0.03 0.03 -0.04 1.64 1.95 1mx9B1 LEU 2382 HG 0.24 0.01 -0.10 -0.04 1.64 1.75 1mx9B1 LEU 2382 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.88 1mx9B1 LEU 2382 HD23 0.26 -0.01 -0.09 -0.04 0.89 1.00 1mx9B1 TRP 2383 H 0.35 0.27 -0.84 -0.55 7.97 7.20 1mx9B1 TRP 2383 HA 0.12 0.04 0.51 -0.75 4.62 4.54 1mx9B1 TRP 2383 HB2 0.06 -0.00 0.12 -0.04 3.23 3.36 1mx9B1 TRP 2383 HB3 0.04 0.17 0.13 -0.04 3.23 3.53 1mx9B1 TRP 2383 HD1 0.01 0.05 0.01 -0.04 7.22 7.25 1mx9B1 TRP 2383 HE1 -0.03 -0.01 0.04 -0.04 10.20 10.16 1mx9B1 TRP 2383 HE3 0.11 0.11 0.08 -0.04 7.59 7.85 1mx9B1 TRP 2383 HZ2 -0.13 -0.02 0.06 -0.04 7.44 7.31 1mx9B1 TRP 2383 HZ3 -0.14 0.08 0.07 -0.04 7.13 7.10 1mx9B1 TRP 2383 HH2 -0.42 -0.02 0.06 -0.04 7.19 6.77 1mx9B1 LYS 2384 H 0.08 0.36 -0.01 -0.55 8.42 8.30 1mx9B1 LYS 2384 HA -0.36 0.02 0.52 -0.75 4.32 3.75 1mx9B1 LYS 2384 HB2 -0.05 0.01 0.22 -0.04 1.87 2.01 1mx9B1 LYS 2384 HB3 -0.11 0.02 0.11 -0.04 1.79 1.78 1mx9B1 LYS 2384 HG2 0.04 0.15 0.20 -0.04 1.46 1.81 1mx9B1 LYS 2384 HG3 -0.02 -0.09 0.10 -0.04 1.46 1.41 1mx9B1 LYS 2384 HD2 -0.08 0.09 0.11 -0.04 1.69 1.77 1mx9B1 LYS 2384 HD3 -0.18 -0.07 0.08 -0.04 1.68 1.47 1mx9B1 LYS 2384 HE2 0.09 -0.11 0.07 -0.04 2.99 3.01 1mx9B1 LYS 2384 HE3 0.01 -0.02 0.11 -0.04 2.99 3.05 1mx9B1 SER 2385 H 0.03 0.25 -0.86 -0.55 8.46 7.34 1mx9B1 SER 2385 HA 0.03 0.16 0.63 -0.75 4.49 4.56 1mx9B1 SER 2385 HB2 0.07 0.09 0.02 -0.04 3.95 4.09 1mx9B1 SER 2385 HB3 0.09 -0.12 0.08 -0.04 3.93 3.94 1mx9B1 TYR 2386 H -0.14 0.49 -0.35 -0.55 8.29 7.73 1mx9B1 TYR 2386 HA -0.07 -0.15 0.34 -0.75 4.56 3.93 1mx9B1 TYR 2386 HB2 -0.74 0.19 0.14 -0.04 3.06 2.61 1mx9B1 TYR 2386 HB3 -0.38 0.10 -0.09 -0.04 2.98 2.57 1mx9B1 TYR 2386 HD2 0.03 0.17 -0.17 -0.04 7.15 7.14 1mx9B1 TYR 2386 HE2 0.13 -0.01 -0.41 -0.04 6.85 6.52 1mx9B1 PRO 2387 HA -0.12 0.08 0.39 -0.51 4.44 4.28 1mx9B1 PRO 2387 HB2 -0.03 -0.05 0.04 -0.04 2.28 2.21 1mx9B1 PRO 2387 HB3 -0.02 0.25 0.16 -0.04 2.02 2.37 1mx9B1 PRO 2387 HG2 -0.01 -0.04 -0.10 -0.04 2.03 1.83 1mx9B1 PRO 2387 HG3 -0.02 0.07 0.03 -0.04 2.03 2.07 1mx9B1 PRO 2387 HD2 -0.06 -0.03 -0.56 -0.04 3.68 2.98 1mx9B1 PRO 2387 HD3 -0.05 0.19 0.02 -0.04 3.65 3.77 1mx9B1 LEU 2388 H -0.09 0.67 -0.42 -0.55 8.37 7.98 1mx9B1 LEU 2388 HA -0.12 0.15 0.96 -0.75 4.35 4.58 1mx9B1 LEU 2388 HB2 -0.08 0.02 0.08 -0.04 1.64 1.61 1mx9B1 LEU 2388 HB3 -0.09 -0.11 -0.02 -0.04 1.64 1.38 1mx9B1 LEU 2388 HG 0.02 0.04 -0.15 -0.04 1.64 1.52 1mx9B1 LEU 2388 HD13 0.18 -0.02 -0.07 -0.04 0.93 0.98 1mx9B1 LEU 2388 HD23 0.01 0.02 -0.15 -0.04 0.89 0.73 1mx9B1 VAL 2389 H -0.14 0.28 0.09 -0.55 8.24 7.93 1mx9B1 VAL 2389 HA -0.22 0.21 0.81 -0.75 4.13 4.18 1mx9B1 VAL 2389 HB -0.16 -0.02 0.01 -0.04 2.12 1.91 1mx9B1 VAL 2389 HG13 -0.26 -0.01 -0.07 -0.04 0.97 0.58 1mx9B1 VAL 2389 HG23 -0.01 -0.03 -0.10 -0.04 0.95 0.77 1mx9B1 CYS 2390 H -0.31 0.46 0.10 -0.55 8.50 8.20 1mx9B1 CYS 2390 HA -1.06 0.08 0.28 -0.75 4.58 3.13 1mx9B1 CYS 2390 HB2 -0.30 0.16 -0.27 -0.04 2.97 2.52 1mx9B1 CYS 2390 HB3 -0.31 -0.08 0.18 -0.04 2.97 2.73 1mx9B1 ILE 2391 H 0.17 0.07 -0.21 -0.55 8.25 7.73 1mx9B1 ILE 2391 HA 0.53 0.17 0.74 -0.75 4.18 4.86 1mx9B1 ILE 2391 HB 0.34 -0.02 -0.02 -0.04 1.89 2.15 1mx9B1 ILE 2391 HG12 0.38 0.06 -0.13 -0.04 1.49 1.76 1mx9B1 ILE 2391 HG13 0.23 0.03 -0.32 -0.04 1.21 1.11 1mx9B1 ILE 2391 HG23 0.27 0.03 -0.21 -0.04 0.93 0.99 1mx9B1 ILE 2391 HD13 0.22 -0.02 -0.10 -0.04 0.88 0.93 1mx9B1 ALA 2392 H 0.39 0.20 0.12 -0.55 8.40 8.57 1mx9B1 ALA 2392 HA 0.42 0.07 0.37 -0.75 4.34 4.44 1mx9B1 ALA 2392 HB3 0.17 0.01 0.09 -0.04 1.41 1.65 1mx9B1 LYS 2393 H -0.05 0.15 0.19 -0.55 8.42 8.15 1mx9B1 LYS 2393 HA -0.32 0.13 0.37 -0.75 4.32 3.75 1mx9B1 LYS 2393 HB2 -1.38 0.04 0.20 -0.04 1.87 0.69 1mx9B1 LYS 2393 HB3 -0.49 -0.05 0.14 -0.04 1.79 1.34 1mx9B1 LYS 2393 HG2 -0.59 -0.01 -0.07 -0.04 1.46 0.74 1mx9B1 LYS 2393 HG3 -1.62 0.05 0.08 -0.04 1.46 -0.08 1mx9B1 LYS 2393 HD2 -1.32 0.02 0.05 -0.04 1.69 0.40 1mx9B1 LYS 2393 HD3 -0.56 -0.02 0.01 -0.04 1.68 1.08 1mx9B1 LYS 2393 HE2 -0.43 -0.02 -0.01 -0.04 2.99 2.48 1mx9B1 LYS 2393 HE3 -0.90 0.04 0.01 -0.04 2.99 2.10 1mx9B1 GLU 2394 H -0.11 0.08 -0.13 -0.55 8.60 7.90 1mx9B1 GLU 2394 HA -0.08 0.04 0.32 -0.75 4.29 3.82 1mx9B1 GLU 2394 HB2 -0.02 0.04 0.01 -0.04 2.09 2.08 1mx9B1 GLU 2394 HB3 -0.05 -0.00 0.09 -0.04 1.99 1.99 1mx9B1 GLU 2394 HG2 0.02 -0.19 -0.13 -0.04 2.34 2.01 1mx9B1 GLU 2394 HG3 0.02 0.08 -0.12 -0.04 2.34 2.28 1mx9B1 LEU 2395 H 0.06 0.30 -0.46 -0.55 8.37 7.72 1mx9B1 LEU 2395 HA 0.01 0.06 0.57 -0.75 4.35 4.24 1mx9B1 LEU 2395 HB2 0.13 0.10 -0.04 -0.04 1.64 1.79 1mx9B1 LEU 2395 HB3 0.01 -0.06 0.03 -0.04 1.64 1.58 1mx9B1 LEU 2395 HG 0.07 -0.11 -0.03 -0.04 1.64 1.54 1mx9B1 LEU 2395 HD13 0.11 -0.01 -0.01 -0.04 0.93 0.99 1mx9B1 LEU 2395 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 1mx9B1 ILE 2396 H 0.08 0.58 -0.14 -0.55 8.25 8.22 1mx9B1 ILE 2396 HA 0.18 -0.04 0.25 -0.75 4.18 3.82 1mx9B1 ILE 2396 HB 0.04 0.12 0.13 -0.04 1.89 2.14 1mx9B1 ILE 2396 HG12 0.18 0.16 0.06 -0.04 1.49 1.85 1mx9B1 ILE 2396 HG13 0.24 -0.03 0.02 -0.04 1.21 1.40 1mx9B1 ILE 2396 HG23 0.16 -0.01 -0.12 -0.04 0.93 0.93 1mx9B1 ILE 2396 HD13 0.37 -0.02 -0.18 -0.04 0.88 1.00 1mx9B1 PRO 2397 HA 0.06 -0.02 0.40 -0.51 4.44 4.37 1mx9B1 PRO 2397 HB2 0.01 0.06 0.03 -0.04 2.28 2.34 1mx9B1 PRO 2397 HB3 0.02 -0.02 0.06 -0.04 2.02 2.04 1mx9B1 PRO 2397 HG2 -0.02 0.07 0.04 -0.04 2.03 2.08 1mx9B1 PRO 2397 HG3 0.00 -0.02 0.03 -0.04 2.03 2.00 1mx9B1 PRO 2397 HD2 0.01 0.38 -0.23 -0.04 3.68 3.80 1mx9B1 PRO 2397 HD3 -0.00 0.20 0.04 -0.04 3.65 3.85 1mx9B1 GLU 2398 H 0.04 0.35 -0.21 -0.55 8.60 8.23 1mx9B1 GLU 2398 HA 0.04 0.01 0.44 -0.75 4.29 4.03 1mx9B1 GLU 2398 HB2 -0.01 0.12 0.11 -0.04 2.09 2.27 1mx9B1 GLU 2398 HB3 0.01 -0.03 0.05 -0.04 1.99 1.98 1mx9B1 GLU 2398 HG2 0.00 -0.06 0.03 -0.04 2.34 2.28 1mx9B1 GLU 2398 HG3 0.00 0.09 0.12 -0.04 2.34 2.51 1mx9B1 ALA 2399 H 0.10 0.57 -0.05 -0.55 8.40 8.48 1mx9B1 ALA 2399 HA 0.19 0.04 0.44 -0.75 4.34 4.26 1mx9B1 ALA 2399 HB3 0.31 0.02 0.01 -0.04 1.41 1.70 1mx9B1 THR 2400 H 0.14 0.63 -0.21 -0.55 8.28 8.29 1mx9B1 THR 2400 HA 0.21 0.03 0.45 -0.75 4.39 4.33 1mx9B1 THR 2400 HB 0.10 0.11 0.10 -0.04 4.32 4.60 1mx9B1 THR 2400 HG23 0.12 -0.02 -0.06 -0.04 1.22 1.22 1mx9B1 GLU 2401 H 0.07 0.60 -0.05 -0.55 8.60 8.68 1mx9B1 GLU 2401 HA 0.04 -0.07 0.57 -0.75 4.29 4.08 1mx9B1 GLU 2401 HB2 0.03 -0.01 0.11 -0.04 2.09 2.18 1mx9B1 GLU 2401 HB3 0.03 0.13 0.13 -0.04 1.99 2.23 1mx9B1 GLU 2401 HG2 0.00 0.02 -0.04 -0.04 2.34 2.28 1mx9B1 GLU 2401 HG3 -0.01 0.02 -0.20 -0.04 2.34 2.11 1mx9B1 LYS 2402 H 0.02 0.40 -0.29 -0.55 8.42 7.99 1mx9B1 LYS 2402 HA -0.18 0.05 0.42 -0.75 4.32 3.85 1mx9B1 LYS 2402 HB2 -0.22 0.08 0.11 -0.04 1.87 1.80 1mx9B1 LYS 2402 HB3 -0.34 0.10 0.10 -0.04 1.79 1.60 1mx9B1 LYS 2402 HG2 -2.93 -0.02 -0.03 -0.04 1.46 -1.56 1mx9B1 LYS 2402 HG3 -1.03 -0.02 -0.15 -0.04 1.46 0.21 1mx9B1 LYS 2402 HD2 -0.38 0.01 0.08 -0.04 1.69 1.36 1mx9B1 LYS 2402 HD3 -0.30 0.01 0.01 -0.04 1.68 1.37 1mx9B1 LYS 2402 HE2 -0.58 0.00 -0.02 -0.04 2.99 2.34 1mx9B1 LYS 2402 HE3 -0.52 -0.04 -0.03 -0.04 2.99 2.36 1mx9B1 TYR 2403 H 0.17 0.21 -0.38 -0.55 8.29 7.74 1mx9B1 TYR 2403 HA -0.06 0.18 0.83 -0.75 4.56 4.76 1mx9B1 TYR 2403 HB2 0.08 0.08 0.11 -0.04 3.06 3.29 1mx9B1 TYR 2403 HB3 0.07 -0.01 -0.13 -0.04 2.98 2.87 1mx9B1 TYR 2403 HD2 -0.00 0.11 0.01 -0.04 7.15 7.23 1mx9B1 TYR 2403 HE2 0.15 -0.03 -0.11 -0.04 6.85 6.81 1mx9B1 LEU 2404 H 0.16 0.64 0.13 -0.55 8.37 8.75 1mx9B1 LEU 2404 HA 0.10 0.15 0.78 -0.75 4.35 4.62 1mx9B1 LEU 2404 HB2 0.09 0.02 0.02 -0.04 1.64 1.72 1mx9B1 LEU 2404 HB3 0.09 -0.09 0.04 -0.04 1.64 1.64 1mx9B1 LEU 2404 HG 0.20 0.09 0.06 -0.04 1.64 1.94 1mx9B1 LEU 2404 HD13 0.11 -0.03 -0.11 -0.04 0.93 0.85 1mx9B1 LEU 2404 HD23 0.27 -0.07 -0.32 -0.04 0.89 0.73 1mx9B1 GLY 2405 H 0.04 0.21 0.02 -0.55 8.43 8.16 1mx9B1 GLY 2405 HA2 0.02 -0.02 0.34 -0.51 4.01 3.84 1mx9B1 GLY 2405 HA3 0.01 0.10 0.42 -0.51 4.01 4.03 1mx9B1 GLY 2406 H 0.00 0.15 -0.90 -0.55 8.43 7.14 1mx9B1 GLY 2406 HA2 -0.01 0.16 0.74 -0.51 4.01 4.39 1mx9B1 GLY 2406 HA3 -0.02 0.01 0.26 -0.51 4.01 3.74 1mx9B1 THR 2407 H 0.01 0.43 -0.20 -0.55 8.28 7.97 1mx9B1 THR 2407 HA 0.01 0.08 0.45 -0.75 4.39 4.18 1mx9B1 THR 2407 HB 0.02 0.20 -0.11 -0.04 4.32 4.39 1mx9B1 THR 2407 HG23 0.04 0.02 -0.22 -0.04 1.22 1.02 1mx9B1 ASP 2408 H 0.02 -0.05 0.21 -0.55 8.40 8.03 1mx9B1 ASP 2408 HA 0.02 0.24 0.82 -0.75 4.63 4.96 1mx9B1 ASP 2408 HB2 0.01 -0.02 0.04 -0.04 2.71 2.70 1mx9B1 ASP 2408 HB3 0.01 -0.01 0.06 -0.04 2.70 2.72 1mx9B1 ASP 2409 H 0.02 -0.04 0.17 -0.55 8.40 8.01 1mx9B1 ASP 2409 HA 0.02 0.11 0.53 -0.75 4.63 4.54 1mx9B1 ASP 2409 HB2 0.02 0.11 0.20 -0.04 2.71 3.00 1mx9B1 ASP 2409 HB3 0.03 -0.02 0.25 -0.04 2.70 2.92 1mx9B1 THR 2410 H 0.02 0.23 0.31 -0.55 8.28 8.29 1mx9B1 THR 2410 HA 0.03 0.17 0.30 -0.75 4.39 4.13 1mx9B1 THR 2410 HB 0.02 0.44 0.15 -0.04 4.32 4.88 1mx9B1 THR 2410 HG23 0.01 -0.01 0.12 -0.04 1.22 1.30 1mx9B1 VAL 2411 H 0.03 -0.04 -0.38 -0.55 8.24 7.30 1mx9B1 VAL 2411 HA 0.05 0.42 0.58 -0.75 4.13 4.43 1mx9B1 VAL 2411 HB 0.04 -0.12 0.11 -0.04 2.12 2.11 1mx9B1 VAL 2411 HG13 0.05 0.03 -0.04 -0.04 0.97 0.96 1mx9B1 VAL 2411 HG23 0.03 0.02 0.07 -0.04 0.95 1.03 1mx9B1 LYS 2412 H 0.05 0.05 -0.02 -0.55 8.42 7.94 1mx9B1 LYS 2412 HA 0.07 0.06 0.44 -0.75 4.32 4.14 1mx9B1 LYS 2412 HB2 0.05 0.04 0.12 -0.04 1.87 2.03 1mx9B1 LYS 2412 HB3 0.05 0.05 0.04 -0.04 1.79 1.90 1mx9B1 LYS 2412 HG2 0.04 0.05 0.06 -0.04 1.46 1.57 1mx9B1 LYS 2412 HG3 0.04 -0.08 0.11 -0.04 1.46 1.48 1mx9B1 LYS 2412 HD2 0.03 -0.08 0.09 -0.04 1.69 1.69 1mx9B1 LYS 2412 HD3 0.03 0.07 0.04 -0.04 1.68 1.79 1mx9B1 LYS 2412 HE2 0.03 0.04 0.04 -0.04 2.99 3.05 1mx9B1 LYS 2412 HE3 0.03 -0.04 0.06 -0.04 2.99 3.00 1mx9B1 LYS 2413 H 0.06 0.69 -0.23 -0.55 8.42 8.39 1mx9B1 LYS 2413 HA 0.10 0.05 0.34 -0.75 4.32 4.05 1mx9B1 LYS 2413 HB2 0.05 0.18 -0.06 -0.04 1.87 2.00 1mx9B1 LYS 2413 HB3 0.06 -0.07 -0.14 -0.04 1.79 1.60 1mx9B1 LYS 2413 HG2 0.06 0.08 -0.07 -0.04 1.46 1.49 1mx9B1 LYS 2413 HG3 0.04 -0.03 -0.29 -0.04 1.46 1.15 1mx9B1 LYS 2413 HD2 0.03 0.05 -0.22 -0.04 1.69 1.51 1mx9B1 LYS 2413 HD3 0.03 -0.17 -0.07 -0.04 1.68 1.43 1mx9B1 LYS 2413 HE2 0.03 -0.16 -0.42 -0.04 2.99 2.40 1mx9B1 LYS 2413 HE3 0.02 -0.08 -0.02 -0.04 2.99 2.87 1mx9B1 LYS 2414 H 0.08 0.39 -0.61 -0.55 8.42 7.73 1mx9B1 LYS 2414 HA 0.14 0.02 0.48 -0.75 4.32 4.21 1mx9B1 LYS 2414 HB2 0.07 -0.10 -0.05 -0.04 1.87 1.75 1mx9B1 LYS 2414 HB3 0.10 0.34 0.13 -0.04 1.79 2.31 1mx9B1 LYS 2414 HG2 0.19 -0.02 -0.02 -0.04 1.46 1.58 1mx9B1 LYS 2414 HG3 0.12 -0.15 0.05 -0.04 1.46 1.43 1mx9B1 LYS 2414 HD2 0.14 0.02 0.03 -0.04 1.69 1.83 1mx9B1 LYS 2414 HD3 0.10 -0.10 0.13 -0.04 1.68 1.76 1mx9B1 LYS 2414 HE2 0.11 0.24 -0.02 -0.04 2.99 3.27 1mx9B1 LYS 2414 HE3 0.14 -0.06 -0.20 -0.04 2.99 2.83 1mx9B1 ASP 2415 H 0.12 0.32 -0.17 -0.55 8.40 8.12 1mx9B1 ASP 2415 HA 0.14 0.07 0.56 -0.75 4.63 4.66 1mx9B1 ASP 2415 HB2 0.10 0.09 0.19 -0.04 2.71 3.05 1mx9B1 ASP 2415 HB3 0.10 -0.03 0.04 -0.04 2.70 2.77 1mx9B1 LEU 2416 H 0.15 0.78 0.01 -0.55 8.37 8.76 1mx9B1 LEU 2416 HA 0.19 0.02 0.45 -0.75 4.35 4.25 1mx9B1 LEU 2416 HB2 0.17 0.03 -0.02 -0.04 1.64 1.78 1mx9B1 LEU 2416 HB3 0.23 0.05 -0.10 -0.04 1.64 1.79 1mx9B1 LEU 2416 HG 0.10 0.03 0.00 -0.04 1.64 1.73 1mx9B1 LEU 2416 HD13 0.07 0.09 -0.04 -0.04 0.93 1.00 1mx9B1 LEU 2416 HD23 0.09 -0.01 0.02 -0.04 0.89 0.95 1mx9B1 PHE 2417 H 0.27 0.22 -0.73 -0.55 8.34 7.55 1mx9B1 PHE 2417 HA 0.02 0.04 0.38 -0.75 4.62 4.31 1mx9B1 PHE 2417 HB2 0.07 0.13 0.09 -0.04 3.15 3.40 1mx9B1 PHE 2417 HB3 0.07 0.23 0.09 -0.04 3.06 3.41 1mx9B1 PHE 2417 HD2 0.07 0.03 -0.06 -0.04 7.28 7.28 1mx9B1 PHE 2417 HE2 0.16 0.02 -0.04 -0.04 7.38 7.47 1mx9B1 PHE 2417 HZ 0.11 -0.01 -0.07 -0.04 7.32 7.31 1mx9B1 LEU 2418 H 0.14 0.30 -0.33 -0.55 8.37 7.94 1mx9B1 LEU 2418 HA -0.22 0.06 0.49 -0.75 4.35 3.92 1mx9B1 LEU 2418 HB2 0.12 0.12 0.14 -0.04 1.64 1.98 1mx9B1 LEU 2418 HB3 0.15 -0.08 -0.08 -0.04 1.64 1.58 1mx9B1 LEU 2418 HG 0.23 0.29 0.16 -0.04 1.64 2.28 1mx9B1 LEU 2418 HD13 0.19 -0.02 0.06 -0.04 0.93 1.12 1mx9B1 LEU 2418 HD23 0.27 0.03 0.01 -0.04 0.89 1.17 1mx9B1 ASP 2419 H 0.06 0.50 -0.12 -0.55 8.40 8.29 1mx9B1 ASP 2419 HA 0.07 -0.04 0.37 -0.75 4.63 4.28 1mx9B1 ASP 2419 HB2 0.24 0.16 0.12 -0.04 2.71 3.19 1mx9B1 ASP 2419 HB3 0.25 -0.04 0.00 -0.04 2.70 2.87 1mx9B1 LEU 2420 H -0.22 0.46 -0.42 -0.55 8.37 7.64 1mx9B1 LEU 2420 HA -1.11 -0.00 0.36 -0.75 4.35 2.84 1mx9B1 LEU 2420 HB2 -0.90 0.03 0.11 -0.04 1.64 0.83 1mx9B1 LEU 2420 HB3 -0.49 0.30 0.17 -0.04 1.64 1.57 1mx9B1 LEU 2420 HG -0.41 0.00 -0.09 -0.04 1.64 1.10 1mx9B1 LEU 2420 HD13 -0.03 -0.02 -0.19 -0.04 0.93 0.65 1mx9B1 LEU 2420 HD23 0.05 -0.00 -0.07 -0.04 0.89 0.82 1mx9B1 ILE 2421 H -0.55 0.44 -0.12 -0.55 8.25 7.46 1mx9B1 ILE 2421 HA -0.46 0.04 0.33 -0.75 4.18 3.34 1mx9B1 ILE 2421 HB -0.88 0.04 0.13 -0.04 1.89 1.14 1mx9B1 ILE 2421 HG12 -0.63 -0.03 0.02 -0.04 1.49 0.81 1mx9B1 ILE 2421 HG13 -0.97 0.25 0.15 -0.04 1.21 0.60 1mx9B1 ILE 2421 HG23 -0.95 -0.01 -0.10 -0.04 0.93 -0.18 1mx9B1 ILE 2421 HD13 -0.91 -0.01 -0.03 -0.04 0.88 -0.12 1mx9B1 ALA 2422 H -0.17 0.67 -0.09 -0.55 8.40 8.26 1mx9B1 ALA 2422 HA 0.14 -0.01 0.40 -0.75 4.34 4.12 1mx9B1 ALA 2422 HB3 0.15 -0.02 0.10 -0.04 1.41 1.60 1mx9B1 ASP 2423 H -0.10 0.77 -0.19 -0.55 8.40 8.33 1mx9B1 ASP 2423 HA 0.03 -0.16 0.55 -0.75 4.63 4.30 1mx9B1 ASP 2423 HB2 0.00 0.30 0.22 -0.04 2.71 3.19 1mx9B1 ASP 2423 HB3 0.13 -0.09 0.01 -0.04 2.70 2.72 1mx9B1 VAL 2424 H -0.41 0.49 -0.07 -0.55 8.24 7.70 1mx9B1 VAL 2424 HA -0.55 0.02 0.44 -0.75 4.13 3.29 1mx9B1 VAL 2424 HB -0.47 0.06 0.13 -0.04 2.12 1.80 1mx9B1 VAL 2424 HG13 -0.29 0.01 0.01 -0.04 0.97 0.66 1mx9B1 VAL 2424 HG23 -1.40 0.01 0.01 -0.04 0.95 -0.46 1mx9B1 MET 2425 H -0.28 0.28 -0.22 -0.55 8.47 7.70 1mx9B1 MET 2425 HA -0.38 0.22 0.75 -0.75 4.52 4.35 1mx9B1 MET 2425 HB2 -0.45 -0.07 0.07 -0.04 2.15 1.66 1mx9B1 MET 2425 HB3 -1.03 -0.08 -0.04 -0.04 2.03 0.85 1mx9B1 MET 2425 HG2 -0.32 0.13 -0.06 -0.04 2.63 2.34 1mx9B1 MET 2425 HG3 -0.31 0.05 -0.12 -0.04 2.56 2.14 1mx9B1 MET 2425 HE3 -0.14 -0.01 -0.05 -0.04 2.10 1.85 1mx9B1 PHE 2426 H -0.04 0.53 0.12 -0.55 8.34 8.39 1mx9B1 PHE 2426 HA -0.03 0.17 0.96 -0.75 4.62 4.95 1mx9B1 PHE 2426 HB2 0.03 0.01 0.16 -0.04 3.15 3.31 1mx9B1 PHE 2426 HB3 0.02 -0.10 0.04 -0.04 3.06 2.98 1mx9B1 PHE 2426 HD2 0.05 -0.05 -0.15 -0.04 7.28 7.09 1mx9B1 PHE 2426 HE2 0.06 0.03 -0.04 -0.04 7.38 7.39 1mx9B1 PHE 2426 HZ -0.12 -0.01 -0.01 -0.04 7.32 7.14 1mx9B1 GLY 2427 H 0.12 0.47 0.26 -0.55 8.43 8.74 1mx9B1 GLY 2427 HA2 0.05 -0.02 0.35 -0.51 4.01 3.88 1mx9B1 GLY 2427 HA3 0.06 -0.00 0.42 -0.51 4.01 3.98 1mx9B1 VAL 2428 H -0.02 0.71 0.14 -0.55 8.24 8.53 1mx9B1 VAL 2428 HA 0.06 -0.01 0.38 -0.75 4.13 3.80 1mx9B1 VAL 2428 HB -0.05 0.20 0.02 -0.04 2.12 2.25 1mx9B1 VAL 2428 HG13 0.16 -0.02 -0.12 -0.04 0.97 0.95 1mx9B1 VAL 2428 HG23 0.16 -0.03 -0.10 -0.04 0.95 0.94 1mx9B1 PRO 2429 HA -0.03 0.08 0.36 -0.51 4.44 4.34 1mx9B1 PRO 2429 HB2 -0.07 -0.04 -0.22 -0.04 2.28 1.91 1mx9B1 PRO 2429 HB3 -0.09 -0.03 -0.21 -0.04 2.02 1.65 1mx9B1 PRO 2429 HG2 -0.18 0.18 -0.23 -0.04 2.03 1.76 1mx9B1 PRO 2429 HG3 -0.13 0.11 -0.02 -0.04 2.03 1.95 1mx9B1 PRO 2429 HD2 -0.06 -0.07 -0.86 -0.04 3.68 2.64 1mx9B1 PRO 2429 HD3 -0.11 0.23 -0.15 -0.04 3.65 3.58 1mx9B1 SER 2430 H -0.02 0.50 -0.46 -0.55 8.46 7.93 1mx9B1 SER 2430 HA -0.08 -0.02 0.33 -0.75 4.49 3.97 1mx9B1 SER 2430 HB2 -0.04 0.22 0.12 -0.04 3.95 4.20 1mx9B1 SER 2430 HB3 -0.12 -0.06 -0.14 -0.04 3.93 3.57 1mx9B1 VAL 2431 H -0.04 0.47 -0.02 -0.55 8.24 8.10 1mx9B1 VAL 2431 HA -0.15 0.03 0.36 -0.75 4.13 3.61 1mx9B1 VAL 2431 HB 0.02 0.04 0.05 -0.04 2.12 2.19 1mx9B1 VAL 2431 HG13 0.09 0.00 -0.18 -0.04 0.97 0.85 1mx9B1 VAL 2431 HG23 -0.06 0.03 -0.09 -0.04 0.95 0.80 1mx9B1 ILE 2432 H -0.00 0.42 -0.47 -0.55 8.25 7.64 1mx9B1 ILE 2432 HA 0.05 0.03 0.41 -0.75 4.18 3.92 1mx9B1 ILE 2432 HB 0.01 0.14 0.15 -0.04 1.89 2.14 1mx9B1 ILE 2432 HG12 0.06 -0.05 -0.02 -0.04 1.49 1.43 1mx9B1 ILE 2432 HG13 0.05 0.19 0.05 -0.04 1.21 1.46 1mx9B1 ILE 2432 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.76 1mx9B1 ILE 2432 HD13 0.05 -0.03 -0.10 -0.04 0.88 0.76 1mx9B1 VAL 2433 H -0.03 0.54 -0.01 -0.55 8.24 8.20 1mx9B1 VAL 2433 HA 0.03 0.04 0.29 -0.75 4.13 3.74 1mx9B1 VAL 2433 HB -0.09 0.04 0.11 -0.04 2.12 2.14 1mx9B1 VAL 2433 HG13 -0.02 0.01 -0.17 -0.04 0.97 0.75 1mx9B1 VAL 2433 HG23 -0.00 -0.01 -0.01 -0.04 0.95 0.89 1mx9B1 ALA 2434 H -0.13 0.61 -0.26 -0.55 8.40 8.08 1mx9B1 ALA 2434 HA -0.20 0.06 0.41 -0.75 4.34 3.85 1mx9B1 ALA 2434 HB3 -0.41 -0.01 0.05 -0.04 1.41 1.01 1mx9B1 ARG 2435 H 0.04 0.57 -0.18 -0.55 8.46 8.34 1mx9B1 ARG 2435 HA 0.25 -0.01 0.41 -0.75 4.34 4.24 1mx9B1 ARG 2435 HB2 0.09 0.16 0.27 -0.04 1.90 2.38 1mx9B1 ARG 2435 HB3 0.10 -0.07 -0.01 -0.04 1.80 1.78 1mx9B1 ARG 2435 HG2 0.22 -0.06 0.03 -0.04 1.67 1.83 1mx9B1 ARG 2435 HG3 0.25 0.10 0.10 -0.04 1.67 2.08 1mx9B1 ARG 2435 HD2 0.10 -0.01 -0.07 -0.04 3.22 3.20 1mx9B1 ARG 2435 HD3 0.09 -0.03 -0.03 -0.04 3.22 3.21 1mx9B1 ASN 2436 H 0.08 0.61 -0.04 -0.55 8.53 8.64 1mx9B1 ASN 2436 HA 0.07 -0.02 0.36 -0.75 4.76 4.42 1mx9B1 ASN 2436 HB2 0.11 0.04 0.04 -0.04 2.88 3.03 1mx9B1 ASN 2436 HB3 0.11 0.11 -0.02 -0.04 2.79 2.95 1mx9B1 ASN 2436 HD21 0.05 -0.13 -0.07 -0.04 7.03 6.84 1mx9B1 ASN 2436 HD22 0.06 0.55 -0.05 -0.04 7.74 8.26 1mx9B1 HIS 2437 H 0.19 0.44 -0.36 -0.55 8.41 8.13 1mx9B1 HIS 2437 HA 0.13 0.05 0.36 -0.75 4.63 4.43 1mx9B1 HIS 2437 HB2 0.14 0.02 0.11 -0.04 3.26 3.49 1mx9B1 HIS 2437 HB3 0.05 0.07 0.16 -0.04 3.20 3.44 1mx9B1 HIS 2437 HD2 0.13 0.00 -0.13 -0.04 6.97 6.92 1mx9B1 HIS 2437 HE1 0.25 -0.16 0.06 -0.04 7.75 7.86 1mx9B1 ARG 2438 H 0.17 0.57 0.01 -0.55 8.46 8.65 1mx9B1 ARG 2438 HA 0.03 0.10 0.46 -0.75 4.34 4.18 1mx9B1 ARG 2438 HB2 0.20 0.06 0.21 -0.04 1.90 2.33 1mx9B1 ARG 2438 HB3 0.13 0.10 0.28 -0.04 1.80 2.27 1mx9B1 ARG 2438 HG2 -0.00 -0.06 -0.29 -0.04 1.67 1.27 1mx9B1 ARG 2438 HG3 0.00 -0.05 0.09 -0.04 1.67 1.67 1mx9B1 ARG 2438 HD2 -0.08 -0.31 -0.37 -0.04 3.22 2.42 1mx9B1 ARG 2438 HD3 -0.11 0.22 -0.01 -0.04 3.22 3.28 1mx9B1 ASP 2439 H 0.05 0.77 -0.00 -0.55 8.40 8.67 1mx9B1 ASP 2439 HA -0.01 -0.09 0.34 -0.75 4.63 4.11 1mx9B1 ASP 2439 HB2 0.02 0.13 0.08 -0.04 2.71 2.91 1mx9B1 ASP 2439 HB3 0.00 -0.07 0.03 -0.04 2.70 2.62 1mx9B1 ALA 2440 H -0.04 0.45 -0.57 -0.55 8.40 7.69 1mx9B1 ALA 2440 HA -0.10 -0.09 0.40 -0.75 4.34 3.79 1mx9B1 ALA 2440 HB3 -0.19 0.05 0.07 -0.04 1.41 1.30 1mx9B1 GLY 2441 H -0.09 0.58 -0.65 -0.55 8.43 7.72 1mx9B1 GLY 2441 HA2 -0.08 -0.09 0.37 -0.51 4.01 3.71 1mx9B1 GLY 2441 HA3 -0.09 -0.05 0.51 -0.51 4.01 3.86 1mx9B1 ALA 2442 H -0.10 0.19 0.14 -0.55 8.40 8.08 1mx9B1 ALA 2442 HA -0.08 0.03 0.36 -0.75 4.34 3.89 1mx9B1 ALA 2442 HB3 -0.36 0.10 -0.18 -0.04 1.41 0.93 1mx9B1 PRO 2443 HA 0.01 -0.10 0.47 -0.51 4.44 4.31 1mx9B1 PRO 2443 HB2 0.20 -0.03 0.18 -0.04 2.28 2.59 1mx9B1 PRO 2443 HB3 0.19 0.08 0.15 -0.04 2.02 2.40 1mx9B1 PRO 2443 HG2 0.05 0.11 0.11 -0.04 2.03 2.27 1mx9B1 PRO 2443 HG3 0.04 -0.04 0.10 -0.04 2.03 2.09 1mx9B1 PRO 2443 HD2 0.06 0.16 0.01 -0.04 3.68 3.87 1mx9B1 PRO 2443 HD3 -0.01 0.10 0.12 -0.04 3.65 3.82 1mx9B1 THR 2444 H -0.17 0.06 0.32 -0.55 8.28 7.94 1mx9B1 THR 2444 HA 0.16 0.35 1.05 -0.75 4.39 5.21 1mx9B1 THR 2444 HB 0.11 -0.06 0.17 -0.04 4.32 4.49 1mx9B1 THR 2444 HG23 -0.01 0.02 0.08 -0.04 1.22 1.26 1mx9B1 TYR 2445 H 0.00 0.62 0.50 -0.55 8.29 8.86 1mx9B1 TYR 2445 HA 0.05 0.13 0.97 -0.75 4.56 4.95 1mx9B1 TYR 2445 HB2 -0.54 -0.03 0.02 -0.04 3.06 2.47 1mx9B1 TYR 2445 HB3 -0.59 -0.01 0.05 -0.04 2.98 2.40 1mx9B1 TYR 2445 HD2 -0.45 0.04 -0.22 -0.04 7.15 6.49 1mx9B1 TYR 2445 HE2 -0.07 0.16 -0.07 -0.04 6.85 6.82 1mx9B1 MET 2446 H 0.51 0.29 0.31 -0.55 8.47 9.04 1mx9B1 MET 2446 HA 0.00 0.55 1.01 -0.75 4.52 5.33 1mx9B1 MET 2446 HB2 0.02 -0.04 -0.00 -0.04 2.15 2.09 1mx9B1 MET 2446 HB3 -0.09 -0.10 0.09 -0.04 2.03 1.90 1mx9B1 MET 2446 HG2 -0.33 0.21 0.17 -0.04 2.63 2.65 1mx9B1 MET 2446 HG3 -0.66 -0.01 -0.24 -0.04 2.56 1.61 1mx9B1 MET 2446 HE3 -0.24 -0.02 -0.21 -0.04 2.10 1.59 1mx9B1 TYR 2447 H -0.13 0.37 0.42 -0.55 8.29 8.40 1mx9B1 TYR 2447 HA 0.17 0.19 0.73 -0.75 4.56 4.90 1mx9B1 TYR 2447 HB2 -0.06 0.05 0.06 -0.04 3.06 3.08 1mx9B1 TYR 2447 HB3 0.15 0.10 -0.28 -0.04 2.98 2.91 1mx9B1 TYR 2447 HD2 0.31 0.04 -0.51 -0.04 7.15 6.94 1mx9B1 TYR 2447 HE2 0.21 0.00 -0.23 -0.04 6.85 6.79 1mx9B1 GLU 2448 H 0.33 0.64 0.38 -0.55 8.60 9.41 1mx9B1 GLU 2448 HA 0.21 0.27 0.90 -0.75 4.29 4.92 1mx9B1 GLU 2448 HB2 0.15 -0.01 -0.07 -0.04 2.09 2.11 1mx9B1 GLU 2448 HB3 0.24 -0.01 0.10 -0.04 1.99 2.28 1mx9B1 GLU 2448 HG2 0.15 -0.05 -0.17 -0.04 2.34 2.23 1mx9B1 GLU 2448 HG3 0.08 -0.01 -0.13 -0.04 2.34 2.25 1mx9B1 PHE 2449 H 0.43 0.43 0.42 -0.55 8.34 9.06 1mx9B1 PHE 2449 HA 0.11 0.29 0.97 -0.75 4.62 5.23 1mx9B1 PHE 2449 HB2 0.19 0.07 -0.01 -0.04 3.15 3.36 1mx9B1 PHE 2449 HB3 0.18 -0.11 0.18 -0.04 3.06 3.27 1mx9B1 PHE 2449 HD2 0.01 -0.02 -0.15 -0.04 7.28 7.09 1mx9B1 PHE 2449 HE2 0.03 0.08 -0.18 -0.04 7.38 7.28 1mx9B1 PHE 2449 HZ 0.08 0.03 -0.19 -0.04 7.32 7.20 1mx9B1 GLN 2450 H -0.33 0.93 0.27 -0.55 8.47 8.79 1mx9B1 GLN 2450 HA 0.04 0.03 0.93 -0.75 4.36 4.61 1mx9B1 GLN 2450 HB2 0.04 -0.02 -0.13 -0.04 2.15 2.01 1mx9B1 GLN 2450 HB3 -0.03 0.11 0.12 -0.04 2.02 2.17 1mx9B1 GLN 2450 HG2 -0.02 -0.04 -0.05 -0.04 2.40 2.25 1mx9B1 GLN 2450 HG3 0.02 -0.02 -0.10 -0.04 2.39 2.26 1mx9B1 GLN 2450 HE21 0.03 0.03 -0.02 -0.04 6.97 6.97 1mx9B1 GLN 2450 HE22 0.01 0.03 -0.02 -0.04 7.69 7.67 1mx9B1 TYR 2451 H 0.02 0.24 0.12 -0.55 8.29 8.12 1mx9B1 TYR 2451 HA -0.13 0.14 0.68 -0.75 4.56 4.49 1mx9B1 TYR 2451 HB2 -0.58 0.03 -0.25 -0.04 3.06 2.22 1mx9B1 TYR 2451 HB3 -0.32 0.00 -0.11 -0.04 2.98 2.51 1mx9B1 TYR 2451 HD2 -0.01 -0.05 -0.10 -0.04 7.15 6.96 1mx9B1 TYR 2451 HE2 -0.07 -0.03 -0.07 -0.04 6.85 6.65 1mx9B1 ARG 2452 H -0.70 0.24 0.10 -0.55 8.46 7.54 1mx9B1 ARG 2452 HA -0.03 0.13 1.03 -0.75 4.34 4.72 1mx9B1 ARG 2452 HB2 -0.13 -0.05 0.08 -0.04 1.90 1.77 1mx9B1 ARG 2452 HB3 -0.27 -0.01 0.17 -0.04 1.80 1.65 1mx9B1 ARG 2452 HG2 -0.18 0.03 -0.20 -0.04 1.67 1.27 1mx9B1 ARG 2452 HG3 -0.09 -0.03 0.06 -0.04 1.67 1.57 1mx9B1 ARG 2452 HD2 -0.10 0.28 -0.16 -0.04 3.22 3.20 1mx9B1 ARG 2452 HD3 -0.14 -0.02 -0.05 -0.04 3.22 2.96 1mx9B1 PRO 2453 HA -0.06 0.02 0.52 -0.51 4.44 4.40 1mx9B1 PRO 2453 HB2 -0.32 -0.02 -0.00 -0.04 2.28 1.90 1mx9B1 PRO 2453 HB3 0.21 0.04 0.06 -0.04 2.02 2.29 1mx9B1 PRO 2453 HG2 -0.07 0.04 0.08 -0.04 2.03 2.04 1mx9B1 PRO 2453 HG3 0.35 0.17 0.12 -0.04 2.03 2.63 1mx9B1 PRO 2453 HD2 0.13 0.07 0.27 -0.04 3.68 4.11 1mx9B1 PRO 2453 HD3 0.37 0.14 -0.05 -0.04 3.65 4.06 1mx9B1 SER 2454 H -0.42 0.10 0.17 -0.55 8.46 7.76 1mx9B1 SER 2454 HA -0.28 0.14 0.44 -0.75 4.49 4.04 1mx9B1 SER 2454 HB2 -0.30 0.10 0.18 -0.04 3.95 3.89 1mx9B1 SER 2454 HB3 -0.30 -0.07 0.18 -0.04 3.93 3.70 1mx9B1 PHE 2455 H -0.52 -0.12 -0.99 -0.55 8.34 6.15 1mx9B1 PHE 2455 HA -0.22 0.23 0.67 -0.75 4.62 4.55 1mx9B1 PHE 2455 HB2 -1.93 -0.08 -0.08 -0.04 3.15 1.02 1mx9B1 PHE 2455 HB3 -0.47 0.14 0.05 -0.04 3.06 2.75 1mx9B1 PHE 2455 HD2 -0.32 0.03 -0.11 -0.04 7.28 6.84 1mx9B1 PHE 2455 HE2 -0.03 0.05 -0.21 -0.04 7.38 7.15 1mx9B1 PHE 2455 HZ -0.07 -0.01 -0.34 -0.04 7.32 6.85 1mx9B1 SER 2456 H -0.21 0.29 -0.23 -0.55 8.46 7.76 1mx9B1 SER 2456 HA 0.03 0.07 0.50 -0.75 4.49 4.34 1mx9B1 SER 2456 HB2 -0.16 0.09 0.04 -0.04 3.95 3.88 1mx9B1 SER 2456 HB3 -0.16 -0.08 0.08 -0.04 3.93 3.73 1mx9B1 SER 2457 H -0.07 0.01 0.13 -0.55 8.46 7.98 1mx9B1 SER 2457 HA -0.01 0.15 0.39 -0.75 4.49 4.26 1mx9B1 SER 2457 HB2 0.12 0.11 0.12 -0.04 3.95 4.26 1mx9B1 SER 2457 HB3 -0.40 -0.06 0.03 -0.04 3.93 3.46 1mx9B1 ASP 2458 H -0.04 0.15 0.15 -0.55 8.40 8.11 1mx9B1 ASP 2458 HA -0.11 0.22 0.54 -0.75 4.63 4.52 1mx9B1 ASP 2458 HB2 -0.02 -0.04 0.07 -0.04 2.71 2.68 1mx9B1 ASP 2458 HB3 -0.04 0.00 0.05 -0.04 2.70 2.67 1mx9B1 MET 2459 H -0.08 0.01 -0.19 -0.55 8.47 7.66 1mx9B1 MET 2459 HA -0.02 0.15 0.47 -0.75 4.52 4.36 1mx9B1 MET 2459 HB2 0.31 -0.01 -0.05 -0.04 2.15 2.37 1mx9B1 MET 2459 HB3 0.23 0.03 0.09 -0.04 2.03 2.34 1mx9B1 MET 2459 HG2 0.07 0.05 -0.05 -0.04 2.63 2.66 1mx9B1 MET 2459 HG3 0.07 -0.12 0.02 -0.04 2.56 2.48 1mx9B1 MET 2459 HE3 0.12 -0.00 0.00 -0.04 2.10 2.18 1mx9B1 LYS 2460 H -0.50 0.23 -0.75 -0.55 8.42 6.86 1mx9B1 LYS 2460 HA -1.48 0.12 0.62 -0.75 4.32 2.82 1mx9B1 LYS 2460 HB2 -2.00 -0.11 -0.04 -0.04 1.87 -0.33 1mx9B1 LYS 2460 HB3 -0.67 0.23 0.01 -0.04 1.79 1.32 1mx9B1 LYS 2460 HG2 -0.40 0.15 -0.24 -0.04 1.46 0.93 1mx9B1 LYS 2460 HG3 -0.67 -0.08 -0.05 -0.04 1.46 0.61 1mx9B1 LYS 2460 HD2 -0.33 -0.09 -0.00 -0.04 1.69 1.23 1mx9B1 LYS 2460 HD3 -0.28 0.06 -0.02 -0.04 1.68 1.41 1mx9B1 LYS 2460 HE2 -0.08 0.20 -0.00 -0.04 2.99 3.07 1mx9B1 LYS 2460 HE3 0.02 -0.13 -0.05 -0.04 2.99 2.80 1mx9B1 PRO 2461 HA -0.11 0.07 0.41 -0.51 4.44 4.30 1mx9B1 PRO 2461 HB2 -0.03 -0.12 0.03 -0.04 2.28 2.12 1mx9B1 PRO 2461 HB3 -0.02 0.09 0.10 -0.04 2.02 2.14 1mx9B1 PRO 2461 HG2 -0.01 -0.06 0.09 -0.04 2.03 2.00 1mx9B1 PRO 2461 HG3 0.07 0.08 0.08 -0.04 2.03 2.22 1mx9B1 PRO 2461 HD2 -0.39 0.04 0.27 -0.04 3.68 3.56 1mx9B1 PRO 2461 HD3 -0.06 0.29 0.16 -0.04 3.65 4.00 1mx9B1 LYS 2462 H -0.09 0.15 0.16 -0.55 8.42 8.09 1mx9B1 LYS 2462 HA -0.12 0.16 0.31 -0.75 4.32 3.91 1mx9B1 LYS 2462 HB2 -0.09 0.01 0.11 -0.04 1.87 1.87 1mx9B1 LYS 2462 HB3 -0.08 0.05 0.14 -0.04 1.79 1.86 1mx9B1 LYS 2462 HG2 -0.05 -0.06 0.03 -0.04 1.46 1.34 1mx9B1 LYS 2462 HG3 -0.05 0.01 -0.28 -0.04 1.46 1.11 1mx9B1 LYS 2462 HD2 -0.05 0.00 -0.02 -0.04 1.69 1.58 1mx9B1 LYS 2462 HD3 -0.05 0.03 0.01 -0.04 1.68 1.63 1mx9B1 LYS 2462 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.89 1mx9B1 LYS 2462 HE3 -0.03 -0.01 -0.05 -0.04 2.99 2.86 1mx9B1 THR 2463 H -0.05 -0.02 -0.79 -0.55 8.28 6.87 1mx9B1 THR 2463 HA -0.03 0.15 0.52 -0.75 4.39 4.27 1mx9B1 THR 2463 HB 0.01 -0.01 0.04 -0.04 4.32 4.31 1mx9B1 THR 2463 HG23 -0.01 -0.01 -0.06 -0.04 1.22 1.10 1mx9B1 VAL 2464 H -0.05 0.58 -0.18 -0.55 8.24 8.04 1mx9B1 VAL 2464 HA 0.05 0.05 0.56 -0.75 4.13 4.02 1mx9B1 VAL 2464 HB -0.04 0.09 0.06 -0.04 2.12 2.19 1mx9B1 VAL 2464 HG13 0.14 -0.06 -0.22 -0.04 0.97 0.79 1mx9B1 VAL 2464 HG23 0.09 0.01 -0.06 -0.04 0.95 0.94 1mx9B1 ILE 2465 H 0.04 0.24 0.16 -0.55 8.25 8.13 1mx9B1 ILE 2465 HA -0.02 0.13 0.66 -0.75 4.18 4.20 1mx9B1 ILE 2465 HB 0.01 0.05 0.05 -0.04 1.89 1.96 1mx9B1 ILE 2465 HG12 -0.05 0.01 -0.08 -0.04 1.49 1.33 1mx9B1 ILE 2465 HG13 -0.11 -0.09 -0.10 -0.04 1.21 0.88 1mx9B1 ILE 2465 HG23 -0.01 -0.05 -0.34 -0.04 0.93 0.49 1mx9B1 ILE 2465 HD13 -0.05 0.12 -0.55 -0.04 0.88 0.35 1mx9B1 GLY 2466 H 0.09 0.39 -0.15 -0.55 8.43 8.21 1mx9B1 GLY 2466 HA2 0.32 0.10 0.41 -0.51 4.01 4.33 1mx9B1 GLY 2466 HA3 0.18 0.02 0.55 -0.51 4.01 4.25 1mx9B1 ASP 2467 H 0.16 0.14 -0.20 -0.55 8.40 7.96 1mx9B1 ASP 2467 HA 0.17 0.25 0.30 -0.75 4.63 4.59 1mx9B1 ASP 2467 HB2 0.18 0.09 -0.04 -0.04 2.71 2.90 1mx9B1 ASP 2467 HB3 0.23 0.10 -0.03 -0.04 2.70 2.96 1mx9B1 HIS 2468 H 0.25 0.05 0.16 -0.55 8.41 8.32 1mx9B1 HIS 2468 HA -0.00 0.01 0.50 -0.75 4.63 4.38 1mx9B1 HIS 2468 HB2 -0.01 0.34 0.32 -0.04 3.26 3.87 1mx9B1 HIS 2468 HB3 0.10 -0.08 0.19 -0.04 3.20 3.37 1mx9B1 HIS 2468 HD2 0.34 0.03 -0.18 -0.04 6.97 7.13 1mx9B1 HIS 2468 HE1 -0.27 0.19 0.19 -0.04 7.75 7.82 1mx9B1 GLY 2469 H -0.52 0.12 0.19 -0.55 8.43 7.66 1mx9B1 GLY 2469 HA2 -0.44 -0.00 0.32 -0.51 4.01 3.38 1mx9B1 GLY 2469 HA3 -0.26 0.22 0.45 -0.51 4.01 3.91 1mx9B1 ASP 2470 H 0.04 0.39 -0.47 -0.55 8.40 7.81 1mx9B1 ASP 2470 HA 0.35 0.17 0.36 -0.75 4.63 4.75 1mx9B1 ASP 2470 HB2 0.24 0.09 0.02 -0.04 2.71 3.02 1mx9B1 ASP 2470 HB3 0.43 0.04 0.03 -0.04 2.70 3.16 1mx9B1 GLU 2471 H -0.36 0.06 -0.29 -0.55 8.60 7.47 1mx9B1 GLU 2471 HA -1.14 0.09 0.38 -0.75 4.29 2.87 1mx9B1 GLU 2471 HB2 -1.08 0.06 0.01 -0.04 2.09 1.04 1mx9B1 GLU 2471 HB3 -1.08 -0.04 -0.01 -0.04 1.99 0.82 1mx9B1 GLU 2471 HG2 -0.24 0.07 -0.43 -0.04 2.34 1.69 1mx9B1 GLU 2471 HG3 -0.04 0.05 -0.16 -0.04 2.34 2.16 1mx9B1 LEU 2472 H -0.25 0.43 -0.62 -0.55 8.37 7.39 1mx9B1 LEU 2472 HA -0.16 0.05 0.41 -0.75 4.35 3.91 1mx9B1 LEU 2472 HB2 -0.54 0.25 0.10 -0.04 1.64 1.41 1mx9B1 LEU 2472 HB3 -0.27 0.07 -0.03 -0.04 1.64 1.38 1mx9B1 LEU 2472 HG -0.31 -0.19 -0.02 -0.04 1.64 1.08 1mx9B1 LEU 2472 HD13 -0.71 0.02 0.01 -0.04 0.93 0.20 1mx9B1 LEU 2472 HD23 0.16 -0.01 -0.12 -0.04 0.89 0.89 1mx9B1 PHE 2473 H -0.04 0.27 -0.15 -0.55 8.34 7.87 1mx9B1 PHE 2473 HA -0.05 0.16 0.36 -0.75 4.62 4.33 1mx9B1 PHE 2473 HB2 0.20 -0.01 0.04 -0.04 3.15 3.34 1mx9B1 PHE 2473 HB3 0.23 -0.04 -0.02 -0.04 3.06 3.19 1mx9B1 PHE 2473 HD2 -0.13 0.03 0.05 -0.04 7.28 7.19 1mx9B1 PHE 2473 HE2 0.06 0.07 -0.07 -0.04 7.38 7.40 1mx9B1 PHE 2473 HZ 0.16 0.20 -0.09 -0.04 7.32 7.56 1mx9B1 SER 2474 H 0.03 0.10 -0.43 -0.55 8.46 7.61 1mx9B1 SER 2474 HA 0.03 0.06 0.46 -0.75 4.49 4.29 1mx9B1 SER 2474 HB2 -0.18 0.08 0.01 -0.04 3.95 3.82 1mx9B1 SER 2474 HB3 -0.11 0.05 -0.14 -0.04 3.93 3.69 1mx9B1 VAL 2475 H -0.33 0.36 -0.15 -0.55 8.24 7.58 1mx9B1 VAL 2475 HA -0.61 0.05 0.25 -0.75 4.13 3.06 1mx9B1 VAL 2475 HB -0.45 0.02 0.06 -0.04 2.12 1.72 1mx9B1 VAL 2475 HG13 -0.76 0.00 -0.23 -0.04 0.97 -0.05 1mx9B1 VAL 2475 HG23 -0.89 0.06 -0.06 -0.04 0.95 0.02 1mx9B1 PHE 2476 H -0.05 0.44 -0.28 -0.55 8.34 7.90 1mx9B1 PHE 2476 HA -0.17 0.18 0.70 -0.75 4.62 4.59 1mx9B1 PHE 2476 HB2 -0.24 0.06 0.01 -0.04 3.15 2.94 1mx9B1 PHE 2476 HB3 -0.20 0.07 0.13 -0.04 3.06 3.01 1mx9B1 PHE 2476 HD2 -0.35 0.11 -0.08 -0.04 7.28 6.92 1mx9B1 PHE 2476 HE2 -1.15 -0.03 -0.16 -0.04 7.38 6.00 1mx9B1 PHE 2476 HZ -3.04 -0.02 -0.14 -0.04 7.32 4.08 1mx9B1 GLY 2477 H -0.03 0.38 -0.63 -0.55 8.43 7.60 1mx9B1 GLY 2477 HA2 0.23 0.03 0.25 -0.51 4.01 4.00 1mx9B1 GLY 2477 HA3 0.21 0.02 0.21 -0.51 4.01 3.94 1mx9B1 ALA 2478 H 0.06 0.57 -0.03 -0.55 8.40 8.46 1mx9B1 ALA 2478 HA -0.10 0.19 0.46 -0.75 4.34 4.14 1mx9B1 ALA 2478 HB3 -0.32 -0.02 0.08 -0.04 1.41 1.11 1mx9B1 PRO 2479 HA 0.11 0.05 0.27 -0.51 4.44 4.35 1mx9B1 PRO 2479 HB2 -0.69 0.10 -0.10 -0.04 2.28 1.54 1mx9B1 PRO 2479 HB3 -0.24 -0.05 -0.05 -0.04 2.02 1.64 1mx9B1 PRO 2479 HG2 0.04 0.09 -0.13 -0.04 2.03 1.99 1mx9B1 PRO 2479 HG3 0.35 -0.07 -0.14 -0.04 2.03 2.13 1mx9B1 PRO 2479 HD2 0.08 0.08 -0.11 -0.04 3.68 3.69 1mx9B1 PRO 2479 HD3 0.20 0.09 0.01 -0.04 3.65 3.90 1mx9B1 PHE 2480 H 0.12 0.48 -0.53 -0.55 8.34 7.86 1mx9B1 PHE 2480 HA 0.08 0.17 0.93 -0.75 4.62 5.05 1mx9B1 PHE 2480 HB2 0.07 0.05 -0.01 -0.04 3.15 3.21 1mx9B1 PHE 2480 HB3 0.12 -0.02 0.12 -0.04 3.06 3.24 1mx9B1 PHE 2480 HD2 0.10 0.12 -0.04 -0.04 7.28 7.42 1mx9B1 PHE 2480 HE2 0.02 -0.04 -0.09 -0.04 7.38 7.23 1mx9B1 PHE 2480 HZ -0.11 0.04 -0.04 -0.04 7.32 7.17 1mx9B1 LEU 2481 H 0.05 0.38 0.14 -0.55 8.37 8.39 1mx9B1 LEU 2481 HA 0.07 0.12 0.97 -0.75 4.35 4.76 1mx9B1 LEU 2481 HB2 -0.03 0.28 0.25 -0.04 1.64 2.10 1mx9B1 LEU 2481 HB3 -0.00 -0.21 0.13 -0.04 1.64 1.51 1mx9B1 LEU 2481 HG 0.10 0.09 -0.10 -0.04 1.64 1.69 1mx9B1 LEU 2481 HD13 -0.01 -0.05 -0.06 -0.04 0.93 0.76 1mx9B1 LEU 2481 HD23 0.07 0.02 -0.07 -0.04 0.89 0.86 1mx9B1 LYS 2482 H -0.03 0.49 0.25 -0.55 8.42 8.57 1mx9B1 LYS 2482 HA 0.02 0.08 0.71 -0.75 4.32 4.37 1mx9B1 LYS 2482 HB2 -0.10 -0.01 -0.07 -0.04 1.87 1.64 1mx9B1 LYS 2482 HB3 0.12 -0.01 0.07 -0.04 1.79 1.93 1mx9B1 LYS 2482 HG2 -0.05 0.05 -0.17 -0.04 1.46 1.25 1mx9B1 LYS 2482 HG3 -0.16 0.04 -0.45 -0.04 1.46 0.86 1mx9B1 LYS 2482 HD2 -0.78 -0.09 -0.12 -0.04 1.69 0.65 1mx9B1 LYS 2482 HD3 -0.36 -0.07 -0.10 -0.04 1.68 1.12 1mx9B1 LYS 2482 HE2 -0.10 0.10 -0.30 -0.04 2.99 2.66 1mx9B1 LYS 2482 HE3 -0.02 0.01 -0.08 -0.04 2.99 2.85 1mx9B1 GLU 2483 H 0.09 0.17 0.13 -0.55 8.60 8.44 1mx9B1 GLU 2483 HA 0.05 0.25 0.87 -0.75 4.29 4.70 1mx9B1 GLU 2483 HB2 0.02 -0.09 0.11 -0.04 2.09 2.09 1mx9B1 GLU 2483 HB3 0.03 0.08 -0.08 -0.04 1.99 1.99 1mx9B1 GLU 2483 HG2 0.05 -0.01 0.02 -0.04 2.34 2.36 1mx9B1 GLU 2483 HG3 0.02 -0.01 -0.10 -0.04 2.34 2.21 1mx9B1 GLY 2484 H 0.01 0.17 0.12 -0.55 8.43 8.19 1mx9B1 GLY 2484 HA2 -0.03 0.01 0.30 -0.51 4.01 3.78 1mx9B1 GLY 2484 HA3 -0.02 0.13 0.44 -0.51 4.01 4.05 1mx9B1 ALA 2485 H -0.01 0.11 -0.34 -0.55 8.40 7.61 1mx9B1 ALA 2485 HA -0.24 0.01 0.51 -0.75 4.34 3.86 1mx9B1 ALA 2485 HB3 -0.01 0.03 -0.05 -0.04 1.41 1.33 1mx9B1 SER 2486 H -0.12 0.01 0.18 -0.55 8.46 7.98 1mx9B1 SER 2486 HA -0.05 0.21 0.51 -0.75 4.49 4.41 1mx9B1 SER 2486 HB2 -0.03 -0.15 0.19 -0.04 3.95 3.92 1mx9B1 SER 2486 HB3 -0.06 0.18 0.16 -0.04 3.93 4.17 1mx9B1 GLU 2487 H -0.03 0.20 0.19 -0.55 8.60 8.41 1mx9B1 GLU 2487 HA -0.03 0.21 0.47 -0.75 4.29 4.19 1mx9B1 GLU 2487 HB2 -0.02 0.04 0.15 -0.04 2.09 2.22 1mx9B1 GLU 2487 HB3 -0.01 -0.01 0.06 -0.04 1.99 1.99 1mx9B1 GLU 2487 HG2 -0.00 0.04 0.03 -0.04 2.34 2.36 1mx9B1 GLU 2487 HG3 -0.01 -0.00 0.02 -0.04 2.34 2.31 1mx9B1 GLU 2488 H -0.02 0.03 -0.12 -0.55 8.60 7.95 1mx9B1 GLU 2488 HA -0.02 0.17 0.45 -0.75 4.29 4.13 1mx9B1 GLU 2488 HB2 0.01 0.06 0.12 -0.04 2.09 2.23 1mx9B1 GLU 2488 HB3 0.03 -0.09 0.11 -0.04 1.99 2.00 1mx9B1 GLU 2488 HG2 0.02 -0.02 -0.20 -0.04 2.34 2.09 1mx9B1 GLU 2488 HG3 0.01 0.09 0.06 -0.04 2.34 2.46 1mx9B1 GLU 2489 H -0.01 0.02 -0.21 -0.55 8.60 7.85 1mx9B1 GLU 2489 HA -0.15 0.03 0.35 -0.75 4.29 3.77 1mx9B1 GLU 2489 HB2 0.02 -0.09 0.12 -0.04 2.09 2.10 1mx9B1 GLU 2489 HB3 -0.07 0.15 0.00 -0.04 1.99 2.03 1mx9B1 GLU 2489 HG2 0.04 0.09 -0.07 -0.04 2.34 2.36 1mx9B1 GLU 2489 HG3 0.14 -0.03 0.01 -0.04 2.34 2.43 1mx9B1 ILE 2490 H -0.07 0.27 -0.54 -0.55 8.25 7.37 1mx9B1 ILE 2490 HA -0.17 0.06 0.34 -0.75 4.18 3.65 1mx9B1 ILE 2490 HB -0.05 0.06 0.07 -0.04 1.89 1.93 1mx9B1 ILE 2490 HG12 -0.22 -0.06 -0.08 -0.04 1.49 1.09 1mx9B1 ILE 2490 HG13 -0.09 0.44 -0.05 -0.04 1.21 1.47 1mx9B1 ILE 2490 HG23 -0.08 0.01 -0.13 -0.04 0.93 0.68 1mx9B1 ILE 2490 HD13 -0.10 -0.00 -0.07 -0.04 0.88 0.67 1mx9B1 ARG 2491 H -0.04 0.35 -0.20 -0.55 8.46 8.02 1mx9B1 ARG 2491 HA 0.01 0.09 0.42 -0.75 4.34 4.11 1mx9B1 ARG 2491 HB2 -0.05 -0.01 0.21 -0.04 1.90 2.01 1mx9B1 ARG 2491 HB3 -0.03 0.01 0.04 -0.04 1.80 1.78 1mx9B1 ARG 2491 HG2 -0.00 -0.01 0.06 -0.04 1.67 1.68 1mx9B1 ARG 2491 HG3 -0.02 0.31 0.19 -0.04 1.67 2.11 1mx9B1 ARG 2491 HD2 -0.02 -0.06 0.05 -0.04 3.22 3.15 1mx9B1 ARG 2491 HD3 -0.01 0.02 0.03 -0.04 3.22 3.22 1mx9B1 LEU 2492 H -0.11 0.47 -0.05 -0.55 8.37 8.14 1mx9B1 LEU 2492 HA -0.11 0.01 0.26 -0.75 4.35 3.76 1mx9B1 LEU 2492 HB2 -0.33 0.04 0.04 -0.04 1.64 1.35 1mx9B1 LEU 2492 HB3 -0.22 0.12 0.09 -0.04 1.64 1.59 1mx9B1 LEU 2492 HG -0.12 -0.00 -0.26 -0.04 1.64 1.22 1mx9B1 LEU 2492 HD13 -0.14 0.00 -0.11 -0.04 0.93 0.65 1mx9B1 LEU 2492 HD23 -0.93 -0.03 -0.15 -0.04 0.89 -0.27 1mx9B1 SER 2493 H -0.05 0.48 -0.28 -0.55 8.46 8.06 1mx9B1 SER 2493 HA -0.04 -0.10 0.41 -0.75 4.49 4.00 1mx9B1 SER 2493 HB2 0.04 -0.09 0.11 -0.04 3.95 3.97 1mx9B1 SER 2493 HB3 0.06 0.15 0.10 -0.04 3.93 4.20 1mx9B1 LYS 2494 H 0.04 0.52 -0.11 -0.55 8.42 8.31 1mx9B1 LYS 2494 HA -0.13 0.03 0.40 -0.75 4.32 3.87 1mx9B1 LYS 2494 HB2 0.01 0.05 0.16 -0.04 1.87 2.05 1mx9B1 LYS 2494 HB3 -0.02 -0.03 0.01 -0.04 1.79 1.71 1mx9B1 LYS 2494 HG2 -0.08 -0.02 0.02 -0.04 1.46 1.35 1mx9B1 LYS 2494 HG3 0.25 0.26 0.12 -0.04 1.46 2.05 1mx9B1 LYS 2494 HD2 0.09 -0.07 -0.02 -0.04 1.69 1.66 1mx9B1 LYS 2494 HD3 0.11 -0.00 -0.01 -0.04 1.68 1.73 1mx9B1 LYS 2494 HE2 0.40 0.03 -0.04 -0.04 2.99 3.34 1mx9B1 LYS 2494 HE3 0.26 -0.05 -0.09 -0.04 2.99 3.07 1mx9B1 MET 2495 H -0.06 0.58 -0.20 -0.55 8.47 8.25 1mx9B1 MET 2495 HA -0.19 0.06 0.39 -0.75 4.52 4.03 1mx9B1 MET 2495 HB2 -0.09 -0.02 -0.03 -0.04 2.15 1.97 1mx9B1 MET 2495 HB3 -0.06 0.03 0.09 -0.04 2.03 2.05 1mx9B1 MET 2495 HG2 -0.46 -0.02 -0.13 -0.04 2.63 1.98 1mx9B1 MET 2495 HG3 -0.24 0.03 -0.00 -0.04 2.56 2.31 1mx9B1 MET 2495 HE3 0.23 -0.02 -0.11 -0.04 2.10 2.15 1mx9B1 VAL 2496 H -0.05 0.65 -0.02 -0.55 8.24 8.27 1mx9B1 VAL 2496 HA 0.31 -0.02 0.30 -0.75 4.13 3.96 1mx9B1 VAL 2496 HB -0.23 0.15 -0.06 -0.04 2.12 1.94 1mx9B1 VAL 2496 HG13 -1.05 -0.02 -0.22 -0.04 0.97 -0.36 1mx9B1 VAL 2496 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.82 1mx9B1 MET 2497 H -0.10 0.71 -0.13 -0.55 8.47 8.41 1mx9B1 MET 2497 HA -0.08 -0.03 0.34 -0.75 4.52 4.00 1mx9B1 MET 2497 HB2 -0.11 0.07 0.11 -0.04 2.15 2.18 1mx9B1 MET 2497 HB3 -0.08 -0.04 -0.03 -0.04 2.03 1.84 1mx9B1 MET 2497 HG2 -0.20 0.12 0.10 -0.04 2.63 2.61 1mx9B1 MET 2497 HG3 -0.13 0.34 0.12 -0.04 2.56 2.86 1mx9B1 MET 2497 HE3 -0.37 -0.02 -0.20 -0.04 2.10 1.46 1mx9B1 LYS 2498 H -0.02 0.56 -0.30 -0.55 8.42 8.10 1mx9B1 LYS 2498 HA 0.06 0.04 0.41 -0.75 4.32 4.07 1mx9B1 LYS 2498 HB2 -0.03 0.08 0.11 -0.04 1.87 1.99 1mx9B1 LYS 2498 HB3 -0.13 0.05 0.10 -0.04 1.79 1.77 1mx9B1 LYS 2498 HG2 -0.03 -0.02 -0.13 -0.04 1.46 1.24 1mx9B1 LYS 2498 HG3 0.03 -0.02 0.05 -0.04 1.46 1.48 1mx9B1 LYS 2498 HD2 -0.02 -0.03 -0.04 -0.04 1.69 1.55 1mx9B1 LYS 2498 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.58 1mx9B1 LYS 2498 HE2 0.04 0.03 -0.02 -0.04 2.99 3.00 1mx9B1 LYS 2498 HE3 0.04 -0.04 -0.01 -0.04 2.99 2.93 1mx9B1 PHE 2499 H 0.21 0.53 -0.16 -0.55 8.34 8.36 1mx9B1 PHE 2499 HA 0.19 0.18 0.41 -0.75 4.62 4.64 1mx9B1 PHE 2499 HB2 0.53 0.06 0.18 -0.04 3.15 3.89 1mx9B1 PHE 2499 HB3 0.63 -0.10 -0.10 -0.04 3.06 3.44 1mx9B1 PHE 2499 HD2 0.25 0.08 -0.14 -0.04 7.28 7.43 1mx9B1 PHE 2499 HE2 0.12 -0.05 -0.16 -0.04 7.38 7.26 1mx9B1 PHE 2499 HZ 0.12 0.10 -0.14 -0.04 7.32 7.36 1mx9B1 TRP 2500 H 0.83 0.78 -0.02 -0.55 7.97 9.01 1mx9B1 TRP 2500 HA 0.04 -0.05 0.30 -0.75 4.62 4.16 1mx9B1 TRP 2500 HB2 -0.02 0.18 0.08 -0.04 3.23 3.43 1mx9B1 TRP 2500 HB3 -0.13 0.01 -0.15 -0.04 3.23 2.91 1mx9B1 TRP 2500 HD1 -0.18 0.03 -0.15 -0.04 7.22 6.89 1mx9B1 TRP 2500 HE1 0.30 -0.07 -0.17 -0.04 10.20 10.22 1mx9B1 TRP 2500 HE3 0.23 0.15 -0.00 -0.04 7.59 7.92 1mx9B1 TRP 2500 HZ2 0.12 -0.08 -0.18 -0.04 7.44 7.26 1mx9B1 TRP 2500 HZ3 0.13 -0.02 -0.13 -0.04 7.13 7.07 1mx9B1 TRP 2500 HH2 -0.85 -0.08 -0.17 -0.04 7.19 6.05 1mx9B1 ALA 2501 H 0.22 0.69 -0.19 -0.55 8.40 8.57 1mx9B1 ALA 2501 HA 0.05 0.01 0.46 -0.75 4.34 4.11 1mx9B1 ALA 2501 HB3 0.06 0.03 0.03 -0.04 1.41 1.49 1mx9B1 ASN 2502 H 0.14 0.66 -0.12 -0.55 8.53 8.66 1mx9B1 ASN 2502 HA 0.04 0.02 0.47 -0.75 4.76 4.54 1mx9B1 ASN 2502 HB2 0.15 0.13 0.18 -0.04 2.88 3.30 1mx9B1 ASN 2502 HB3 0.07 0.04 0.01 -0.04 2.79 2.87 1mx9B1 ASN 2502 HD21 0.05 -0.16 -0.08 -0.04 7.03 6.80 1mx9B1 ASN 2502 HD22 0.13 0.13 -0.16 -0.04 7.74 7.80 1mx9B1 PHE 2503 H 0.14 0.48 -0.36 -0.55 8.34 8.04 1mx9B1 PHE 2503 HA -0.20 -0.12 -0.03 -0.75 4.62 3.51 1mx9B1 PHE 2503 HB2 -0.39 0.01 -0.06 -0.04 3.15 2.67 1mx9B1 PHE 2503 HB3 -0.27 0.20 0.01 -0.04 3.06 2.96 1mx9B1 PHE 2503 HD2 -0.40 -0.02 -0.34 -0.04 7.28 6.48 1mx9B1 PHE 2503 HE2 -0.07 0.03 -0.25 -0.04 7.38 7.05 1mx9B1 PHE 2503 HZ 0.04 0.03 -0.59 -0.04 7.32 6.76 1mx9B1 ALA 2504 H 0.04 0.38 -0.33 -0.55 8.40 7.95 1mx9B1 ALA 2504 HA -0.13 -0.04 0.25 -0.75 4.34 3.67 1mx9B1 ALA 2504 HB3 -0.02 0.05 -0.00 -0.04 1.41 1.39 1mx9B1 ARG 2505 H -0.05 0.37 -0.32 -0.55 8.46 7.91 1mx9B1 ARG 2505 HA -0.06 0.20 0.87 -0.75 4.34 4.60 1mx9B1 ARG 2505 HB2 -0.02 -0.07 0.14 -0.04 1.90 1.91 1mx9B1 ARG 2505 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.80 1mx9B1 ARG 2505 HG2 -0.00 0.29 0.17 -0.04 1.67 2.09 1mx9B1 ARG 2505 HG3 -0.01 0.00 -0.01 -0.04 1.67 1.61 1mx9B1 ARG 2505 HD2 0.01 -0.09 0.01 -0.04 3.22 3.10 1mx9B1 ARG 2505 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 1mx9B1 ASN 2506 H -0.15 0.23 -0.18 -0.55 8.53 7.89 1mx9B1 ASN 2506 HA -0.08 0.19 1.03 -0.75 4.76 5.15 1mx9B1 ASN 2506 HB2 -0.06 0.26 0.12 -0.04 2.88 3.17 1mx9B1 ASN 2506 HB3 -0.04 -0.12 0.07 -0.04 2.79 2.66 1mx9B1 ASN 2506 HD21 0.01 -0.11 -0.02 -0.04 7.03 6.87 1mx9B1 ASN 2506 HD22 0.00 0.20 0.05 -0.04 7.74 7.95 1mx9B1 GLY 2507 H -0.44 0.83 0.21 -0.55 8.43 8.49 1mx9B1 GLY 2507 HA2 -1.10 0.02 0.34 -0.51 4.01 2.77 1mx9B1 GLY 2507 HA3 -0.28 0.10 0.59 -0.51 4.01 3.91 1mx9B1 ASN 2508 H -0.17 0.24 -0.27 -0.55 8.53 7.78 1mx9B1 ASN 2508 HA -0.21 0.07 0.55 -0.75 4.76 4.41 1mx9B1 ASN 2508 HB2 0.05 0.10 -0.17 -0.04 2.88 2.82 1mx9B1 ASN 2508 HB3 -0.01 0.04 -0.05 -0.04 2.79 2.73 1mx9B1 ASN 2508 HD21 0.13 -0.09 -0.02 -0.04 7.03 7.01 1mx9B1 ASN 2508 HD22 0.10 0.05 -0.02 -0.04 7.74 7.83 1mx9B1 PRO 2509 HA 0.02 0.17 0.39 -0.51 4.44 4.51 1mx9B1 PRO 2509 HB2 -0.27 -0.04 -0.06 -0.04 2.28 1.87 1mx9B1 PRO 2509 HB3 -0.61 0.05 -0.04 -0.04 2.02 1.38 1mx9B1 PRO 2509 HG2 -0.92 -0.00 -0.01 -0.04 2.03 1.07 1mx9B1 PRO 2509 HG3 -2.35 -0.01 -0.06 -0.04 2.03 -0.43 1mx9B1 PRO 2509 HD2 -1.39 0.11 0.12 -0.04 3.68 2.48 1mx9B1 PRO 2509 HD3 -0.98 0.14 -0.05 -0.04 3.65 2.72 1mx9B1 ASN 2510 H -0.06 0.02 -0.21 -0.55 8.53 7.74 1mx9B1 ASN 2510 HA 0.34 0.05 0.31 -0.75 4.76 4.71 1mx9B1 ASN 2510 HB2 0.13 0.02 -0.00 -0.04 2.88 2.98 1mx9B1 ASN 2510 HB3 0.22 -0.01 -0.03 -0.04 2.79 2.94 1mx9B1 ASN 2510 HD21 -0.04 0.43 0.13 -0.04 7.03 7.51 1mx9B1 ASN 2510 HD22 0.08 -0.00 0.03 -0.04 7.74 7.80 1mx9B1 GLY 2511 H 0.23 0.24 0.16 -0.55 8.43 8.52 1mx9B1 GLY 2511 HA2 0.10 0.08 0.51 -0.51 4.01 4.19 1mx9B1 GLY 2511 HA3 0.09 0.14 0.28 -0.51 4.01 4.02 1mx9B1 GLU 2512 H 0.06 0.17 0.13 -0.55 8.60 8.41 1mx9B1 GLU 2512 HA 0.06 0.01 0.49 -0.75 4.29 4.10 1mx9B1 GLU 2512 HB2 0.03 0.02 -0.00 -0.04 2.09 2.09 1mx9B1 GLU 2512 HB3 0.04 0.00 0.11 -0.04 1.99 2.10 1mx9B1 GLU 2512 HG2 0.03 0.02 0.06 -0.04 2.34 2.40 1mx9B1 GLU 2512 HG3 0.04 0.01 0.15 -0.04 2.34 2.50 1mx9B1 GLY 2513 H 0.05 0.13 0.17 -0.55 8.43 8.23 1mx9B1 GLY 2513 HA2 0.02 -0.06 0.36 -0.51 4.01 3.82 1mx9B1 GLY 2513 HA3 0.01 0.17 0.71 -0.51 4.01 4.39 1mx9B1 LEU 2514 H 0.04 0.35 -0.49 -0.55 8.37 7.72 1mx9B1 LEU 2514 HA -0.05 0.11 0.69 -0.75 4.35 4.36 1mx9B1 LEU 2514 HB2 0.09 0.03 0.03 -0.04 1.64 1.75 1mx9B1 LEU 2514 HB3 -0.07 0.07 -0.04 -0.04 1.64 1.56 1mx9B1 LEU 2514 HG -0.14 -0.02 -0.21 -0.04 1.64 1.23 1mx9B1 LEU 2514 HD13 -0.16 -0.01 -0.15 -0.04 0.93 0.57 1mx9B1 LEU 2514 HD23 -0.78 -0.01 -0.02 -0.04 0.89 0.04 1mx9B1 PRO 2515 HA 0.15 -0.01 0.42 -0.51 4.44 4.48 1mx9B1 PRO 2515 HB2 0.13 0.07 0.03 -0.04 2.28 2.47 1mx9B1 PRO 2515 HB3 0.10 0.02 0.18 -0.04 2.02 2.28 1mx9B1 PRO 2515 HG2 0.60 0.00 -0.09 -0.04 2.03 2.50 1mx9B1 PRO 2515 HG3 0.20 0.01 0.04 -0.04 2.03 2.24 1mx9B1 PRO 2515 HD2 -0.04 0.08 0.17 -0.04 3.68 3.86 1mx9B1 PRO 2515 HD3 0.04 0.13 0.20 -0.04 3.65 3.98 1mx9B1 HIS 2516 H 0.23 0.03 0.17 -0.55 8.41 8.30 1mx9B1 HIS 2516 HA 0.22 0.13 0.50 -0.75 4.63 4.72 1mx9B1 HIS 2516 HB2 0.11 0.01 0.10 -0.04 3.26 3.44 1mx9B1 HIS 2516 HB3 0.10 -0.06 0.07 -0.04 3.20 3.26 1mx9B1 HIS 2516 HD2 0.10 -0.05 -0.17 -0.04 6.97 6.81 1mx9B1 HIS 2516 HE1 0.12 0.03 -0.03 -0.04 7.75 7.83 1mx9B1 TRP 2517 H -0.26 0.19 0.07 -0.55 7.97 7.43 1mx9B1 TRP 2517 HA -0.14 0.14 0.71 -0.75 4.62 4.57 1mx9B1 TRP 2517 HB2 -0.38 0.06 -0.15 -0.04 3.23 2.72 1mx9B1 TRP 2517 HB3 -0.23 -0.05 0.08 -0.04 3.23 2.99 1mx9B1 TRP 2517 HD1 0.07 0.26 -0.30 -0.04 7.22 7.21 1mx9B1 TRP 2517 HE1 0.15 0.03 0.19 -0.04 10.20 10.52 1mx9B1 TRP 2517 HE3 -1.62 0.06 -0.16 -0.04 7.59 5.82 1mx9B1 TRP 2517 HZ2 0.11 -0.05 -0.34 -0.04 7.44 7.13 1mx9B1 TRP 2517 HZ3 -0.46 -0.00 -0.16 -0.04 7.13 6.47 1mx9B1 TRP 2517 HH2 -0.35 -0.05 -0.20 -0.04 7.19 6.55 1mx9B1 PRO 2518 HA 0.13 -0.00 0.50 -0.51 4.44 4.56 1mx9B1 PRO 2518 HB2 0.13 0.07 0.03 -0.04 2.28 2.47 1mx9B1 PRO 2518 HB3 0.17 -0.03 0.06 -0.04 2.02 2.17 1mx9B1 PRO 2518 HG2 0.22 0.14 -0.44 -0.04 2.03 1.91 1mx9B1 PRO 2518 HG3 0.07 -0.00 0.02 -0.04 2.03 2.08 1mx9B1 PRO 2518 HD2 0.11 0.07 -0.06 -0.04 3.68 3.76 1mx9B1 PRO 2518 HD3 0.07 0.12 0.02 -0.04 3.65 3.81 1mx9B1 GLU 2519 H 0.10 0.02 0.23 -0.55 8.60 8.40 1mx9B1 GLU 2519 HA -0.48 0.18 0.57 -0.75 4.29 3.80 1mx9B1 GLU 2519 HB2 -0.04 0.04 0.19 -0.04 2.09 2.24 1mx9B1 GLU 2519 HB3 -0.03 -0.14 0.15 -0.04 1.99 1.93 1mx9B1 GLU 2519 HG2 -0.14 -0.05 -0.16 -0.04 2.34 1.95 1mx9B1 GLU 2519 HG3 -0.48 0.15 0.22 -0.04 2.34 2.18 1mx9B1 TYR 2520 H -0.23 0.77 0.37 -0.55 8.29 8.64 1mx9B1 TYR 2520 HA 0.02 0.03 0.71 -0.75 4.56 4.57 1mx9B1 TYR 2520 HB2 -0.02 -0.07 -0.01 -0.04 3.06 2.93 1mx9B1 TYR 2520 HB3 -0.07 0.04 0.08 -0.04 2.98 2.99 1mx9B1 TYR 2520 HD2 0.06 0.11 -0.17 -0.04 7.15 7.12 1mx9B1 TYR 2520 HE2 0.04 -0.04 -0.14 -0.04 6.85 6.67 1mx9B1 ASN 2521 H -0.10 0.35 -0.13 -0.55 8.53 8.10 1mx9B1 ASN 2521 HA -0.09 0.27 0.57 -0.75 4.76 4.76 1mx9B1 ASN 2521 HB2 -0.06 -0.19 0.25 -0.04 2.88 2.85 1mx9B1 ASN 2521 HB3 -0.05 0.10 0.07 -0.04 2.79 2.87 1mx9B1 ASN 2521 HD21 0.01 0.00 0.06 -0.04 7.03 7.06 1mx9B1 ASN 2521 HD22 -0.01 0.06 0.06 -0.04 7.74 7.81 1mx9B1 GLN 2522 H -0.07 0.17 0.15 -0.55 8.47 8.17 1mx9B1 GLN 2522 HA -0.11 0.21 0.50 -0.75 4.36 4.21 1mx9B1 GLN 2522 HB2 -0.04 -0.04 0.10 -0.04 2.15 2.13 1mx9B1 GLN 2522 HB3 -0.04 0.03 0.09 -0.04 2.02 2.05 1mx9B1 GLN 2522 HG2 -0.04 -0.01 0.05 -0.04 2.40 2.35 1mx9B1 GLN 2522 HG3 -0.03 0.02 0.04 -0.04 2.39 2.37 1mx9B1 GLN 2522 HE21 -0.02 0.05 -0.05 -0.04 6.97 6.91 1mx9B1 GLN 2522 HE22 -0.04 0.01 -0.09 -0.04 7.69 7.53 1mx9B1 LYS 2523 H -0.09 0.01 -0.26 -0.55 8.42 7.53 1mx9B1 LYS 2523 HA -0.04 0.17 0.58 -0.75 4.32 4.28 1mx9B1 LYS 2523 HB2 -0.02 -0.02 0.01 -0.04 1.87 1.80 1mx9B1 LYS 2523 HB3 -0.00 0.02 0.05 -0.04 1.79 1.82 1mx9B1 LYS 2523 HG2 -0.01 0.05 -0.04 -0.04 1.46 1.42 1mx9B1 LYS 2523 HG3 -0.02 -0.09 -0.04 -0.04 1.46 1.27 1mx9B1 LYS 2523 HD2 0.01 0.00 0.01 -0.04 1.69 1.67 1mx9B1 LYS 2523 HD3 0.01 0.01 -0.01 -0.04 1.68 1.66 1mx9B1 LYS 2523 HE2 0.01 0.02 0.00 -0.04 2.99 2.97 1mx9B1 LYS 2523 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 1mx9B1 GLU 2524 H -0.28 0.24 -0.53 -0.55 8.60 7.49 1mx9B1 GLU 2524 HA -0.86 0.16 0.22 -0.75 4.29 3.06 1mx9B1 GLU 2524 HB2 -0.04 0.03 -0.12 -0.04 2.09 1.92 1mx9B1 GLU 2524 HB3 0.05 -0.13 0.16 -0.04 1.99 2.03 1mx9B1 GLU 2524 HG2 -0.88 0.10 -0.04 -0.04 2.34 1.48 1mx9B1 GLU 2524 HG3 -0.31 0.10 -0.24 -0.04 2.34 1.84 1mx9B1 GLY 2525 H 0.00 0.12 -0.01 -0.55 8.43 8.01 1mx9B1 GLY 2525 HA2 0.15 0.30 1.00 -0.51 4.01 4.95 1mx9B1 GLY 2525 HA3 0.11 -0.03 0.34 -0.51 4.01 3.91 1mx9B1 TYR 2526 H 0.00 0.23 0.08 -0.55 8.29 8.05 1mx9B1 TYR 2526 HA 0.32 0.27 0.82 -0.75 4.56 5.22 1mx9B1 TYR 2526 HB2 0.14 -0.01 -0.32 -0.04 3.06 2.83 1mx9B1 TYR 2526 HB3 0.22 -0.00 -0.28 -0.04 2.98 2.87 1mx9B1 TYR 2526 HD2 0.10 0.10 -0.29 -0.04 7.15 7.02 1mx9B1 TYR 2526 HE2 0.06 0.06 -0.29 -0.04 6.85 6.63 1mx9B1 LEU 2527 H -0.01 0.52 0.30 -0.55 8.37 8.63 1mx9B1 LEU 2527 HA -0.40 0.19 0.90 -0.75 4.35 4.28 1mx9B1 LEU 2527 HB2 -1.64 0.04 -0.03 -0.04 1.64 -0.03 1mx9B1 LEU 2527 HB3 -1.59 -0.03 0.07 -0.04 1.64 0.05 1mx9B1 LEU 2527 HG -0.49 -0.06 -0.54 -0.04 1.64 0.51 1mx9B1 LEU 2527 HD13 -0.27 0.05 -0.36 -0.04 0.93 0.30 1mx9B1 LEU 2527 HD23 -1.11 -0.00 -0.21 -0.04 0.89 -0.48 1mx9B1 GLN 2528 H -0.24 0.65 0.17 -0.55 8.47 8.51 1mx9B1 GLN 2528 HA 0.05 0.08 0.91 -0.75 4.36 4.65 1mx9B1 GLN 2528 HB2 -0.10 0.25 0.34 -0.04 2.15 2.60 1mx9B1 GLN 2528 HB3 -0.02 -0.02 0.09 -0.04 2.02 2.02 1mx9B1 GLN 2528 HG2 0.15 -0.07 -0.00 -0.04 2.40 2.44 1mx9B1 GLN 2528 HG3 -0.09 -0.05 -0.17 -0.04 2.39 2.04 1mx9B1 GLN 2528 HE21 0.06 -0.01 0.00 -0.04 6.97 6.98 1mx9B1 GLN 2528 HE22 0.22 -0.07 -0.05 -0.04 7.69 7.76 1mx9B1 ILE 2529 H 0.00 0.57 0.29 -0.55 8.25 8.57 1mx9B1 ILE 2529 HA -0.10 0.14 0.73 -0.75 4.18 4.21 1mx9B1 ILE 2529 HB 0.07 -0.08 0.05 -0.04 1.89 1.88 1mx9B1 ILE 2529 HG12 -0.16 0.08 -0.18 -0.04 1.49 1.18 1mx9B1 ILE 2529 HG13 -0.27 -0.04 -0.38 -0.04 1.21 0.48 1mx9B1 ILE 2529 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.73 1mx9B1 ILE 2529 HD13 -0.32 -0.00 -0.16 -0.04 0.88 0.36 1mx9B1 GLY 2530 H -0.13 0.43 0.09 -0.55 8.43 8.26 1mx9B1 GLY 2530 HA2 -0.36 -0.03 0.17 -0.51 4.01 3.27 1mx9B1 GLY 2530 HA3 -0.15 0.22 0.45 -0.51 4.01 4.02 1mx9B1 ALA 2531 H 0.09 0.18 0.14 -0.55 8.40 8.25 1mx9B1 ALA 2531 HA -0.04 0.03 0.37 -0.75 4.34 3.95 1mx9B1 ALA 2531 HB3 0.07 0.00 0.11 -0.04 1.41 1.55 1mx9B1 ASN 2532 H -0.03 0.07 -0.43 -0.55 8.53 7.60 1mx9B1 ASN 2532 HA -0.02 0.18 0.91 -0.75 4.76 5.09 1mx9B1 ASN 2532 HB2 -0.01 -0.05 0.10 -0.04 2.88 2.88 1mx9B1 ASN 2532 HB3 -0.01 0.04 -0.02 -0.04 2.79 2.76 1mx9B1 ASN 2532 HD21 -0.00 -0.01 -0.04 -0.04 7.03 6.94 1mx9B1 ASN 2532 HD22 -0.00 0.01 -0.02 -0.04 7.74 7.68 1mx9B1 THR 2533 H -0.02 0.20 0.06 -0.55 8.28 7.97 1mx9B1 THR 2533 HA -0.06 0.55 1.06 -0.75 4.39 5.19 1mx9B1 THR 2533 HB 0.02 -0.01 0.21 -0.04 4.32 4.50 1mx9B1 THR 2533 HG23 -0.01 0.01 -0.21 -0.04 1.22 0.98 1mx9B1 GLN 2534 H -0.07 0.35 0.34 -0.55 8.47 8.54 1mx9B1 GLN 2534 HA -0.03 0.17 0.92 -0.75 4.36 4.66 1mx9B1 GLN 2534 HB2 -0.02 -0.04 0.15 -0.04 2.15 2.20 1mx9B1 GLN 2534 HB3 -0.01 -0.01 -0.07 -0.04 2.02 1.88 1mx9B1 GLN 2534 HG2 -0.06 0.17 -0.04 -0.04 2.40 2.43 1mx9B1 GLN 2534 HG3 -0.02 -0.05 -0.02 -0.04 2.39 2.26 1mx9B1 GLN 2534 HE21 -0.03 0.18 0.08 -0.04 6.97 7.15 1mx9B1 GLN 2534 HE22 -0.04 -0.03 0.09 -0.04 7.69 7.66 1mx9B1 ALA 2535 H -0.04 0.08 0.20 -0.55 8.40 8.10 1mx9B1 ALA 2535 HA -0.22 0.14 0.61 -0.75 4.34 4.12 1mx9B1 ALA 2535 HB3 -0.01 0.02 0.16 -0.04 1.41 1.53 1mx9B1 ALA 2536 H -0.24 0.43 0.40 -0.55 8.40 8.44 1mx9B1 ALA 2536 HA -0.11 0.05 0.43 -0.75 4.34 3.96 1mx9B1 ALA 2536 HB3 -0.52 0.03 0.01 -0.04 1.41 0.88 1mx9B1 GLN 2537 H 0.10 0.25 0.21 -0.55 8.47 8.48 1mx9B1 GLN 2537 HA 0.25 0.32 0.90 -0.75 4.36 5.07 1mx9B1 GLN 2537 HB2 0.07 -0.09 -0.04 -0.04 2.15 2.05 1mx9B1 GLN 2537 HB3 0.08 0.20 0.07 -0.04 2.02 2.33 1mx9B1 GLN 2537 HG2 0.05 0.02 -0.15 -0.04 2.40 2.28 1mx9B1 GLN 2537 HG3 0.03 -0.03 -0.74 -0.04 2.39 1.60 1mx9B1 GLN 2537 HE21 0.02 -0.03 -0.05 -0.04 6.97 6.88 1mx9B1 GLN 2537 HE22 0.03 -0.02 -0.07 -0.04 7.69 7.59 1mx9B1 LYS 2538 H 0.18 0.59 0.31 -0.55 8.42 8.95 1mx9B1 LYS 2538 HA 0.12 0.10 0.35 -0.75 4.32 4.13 1mx9B1 LYS 2538 HB2 0.10 0.11 0.05 -0.04 1.87 2.09 1mx9B1 LYS 2538 HB3 0.07 -0.13 0.19 -0.04 1.79 1.89 1mx9B1 LYS 2538 HG2 0.07 0.01 -0.16 -0.04 1.46 1.34 1mx9B1 LYS 2538 HG3 0.05 -0.03 -0.03 -0.04 1.46 1.40 1mx9B1 LYS 2538 HD2 0.04 -0.05 -0.00 -0.04 1.69 1.64 1mx9B1 LYS 2538 HD3 0.05 0.04 0.04 -0.04 1.68 1.77 1mx9B1 LYS 2538 HE2 0.01 0.16 -0.02 -0.04 2.99 3.10 1mx9B1 LYS 2538 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 1mx9B1 LEU 2539 H 0.09 0.19 -0.11 -0.55 8.37 8.00 1mx9B1 LEU 2539 HA -0.21 0.01 0.36 -0.75 4.35 3.76 1mx9B1 LEU 2539 HB2 -1.76 0.02 -0.07 -0.04 1.64 -0.21 1mx9B1 LEU 2539 HB3 -0.31 0.05 0.01 -0.04 1.64 1.36 1mx9B1 LEU 2539 HG -0.21 0.01 -0.33 -0.04 1.64 1.08 1mx9B1 LEU 2539 HD13 -0.30 -0.03 -0.07 -0.04 0.93 0.48 1mx9B1 LEU 2539 HD23 -0.36 0.01 -0.15 -0.04 0.89 0.35 1mx9B1 LYS 2540 H -0.03 0.14 0.18 -0.55 8.42 8.15 1mx9B1 LYS 2540 HA 0.05 -0.04 0.33 -0.75 4.32 3.91 1mx9B1 LYS 2540 HB2 0.01 0.23 -0.22 -0.04 1.87 1.85 1mx9B1 LYS 2540 HB3 0.08 -0.10 0.10 -0.04 1.79 1.83 1mx9B1 LYS 2540 HG2 -0.04 -0.03 -0.14 -0.04 1.46 1.21 1mx9B1 LYS 2540 HG3 0.02 0.03 -0.11 -0.04 1.46 1.35 1mx9B1 LYS 2540 HD2 0.10 -0.04 0.03 -0.04 1.69 1.74 1mx9B1 LYS 2540 HD3 0.06 0.00 0.07 -0.04 1.68 1.77 1mx9B1 LYS 2540 HE2 0.04 0.03 -0.01 -0.04 2.99 3.00 1mx9B1 LYS 2540 HE3 0.06 -0.05 0.00 -0.04 2.99 2.97 1mx9B1 ASP 2541 H 0.05 0.45 -0.53 -0.55 8.40 7.82 1mx9B1 ASP 2541 HA 0.08 0.11 0.25 -0.75 4.63 4.32 1mx9B1 ASP 2541 HB2 0.07 0.07 0.01 -0.04 2.71 2.81 1mx9B1 ASP 2541 HB3 0.05 -0.06 0.10 -0.04 2.70 2.75 1mx9B1 LYS 2542 H 0.05 0.12 -0.10 -0.55 8.42 7.94 1mx9B1 LYS 2542 HA 0.05 0.11 0.39 -0.75 4.32 4.11 1mx9B1 LYS 2542 HB2 0.01 -0.06 0.06 -0.04 1.87 1.84 1mx9B1 LYS 2542 HB3 -0.02 0.06 -0.02 -0.04 1.79 1.77 1mx9B1 LYS 2542 HG2 0.02 0.05 0.01 -0.04 1.46 1.49 1mx9B1 LYS 2542 HG3 0.03 -0.03 0.06 -0.04 1.46 1.48 1mx9B1 LYS 2542 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.65 1mx9B1 LYS 2542 HD3 -0.02 0.03 -0.00 -0.04 1.68 1.64 1mx9B1 LYS 2542 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 1mx9B1 LYS 2542 HE3 -0.00 0.02 0.00 -0.04 2.99 2.96 1mx9B1 GLU 2543 H 0.10 0.05 -0.20 -0.55 8.60 8.00 1mx9B1 GLU 2543 HA 0.19 0.06 0.36 -0.75 4.29 4.15 1mx9B1 GLU 2543 HB2 0.22 0.09 0.11 -0.04 2.09 2.47 1mx9B1 GLU 2543 HB3 0.49 0.01 -0.01 -0.04 1.99 2.44 1mx9B1 GLU 2543 HG2 0.26 0.01 0.02 -0.04 2.34 2.59 1mx9B1 GLU 2543 HG3 0.18 0.05 0.02 -0.04 2.34 2.54 1mx9B1 VAL 2544 H 0.19 0.58 -0.14 -0.55 8.24 8.31 1mx9B1 VAL 2544 HA 0.30 -0.04 0.32 -0.75 4.13 3.96 1mx9B1 VAL 2544 HB 0.12 0.16 0.09 -0.04 2.12 2.45 1mx9B1 VAL 2544 HG13 0.12 -0.00 -0.13 -0.04 0.97 0.92 1mx9B1 VAL 2544 HG23 0.12 0.05 0.02 -0.04 0.95 1.10 1mx9B1 ALA 2545 H 0.12 0.50 -0.18 -0.55 8.40 8.30 1mx9B1 ALA 2545 HA 0.07 0.01 0.37 -0.75 4.34 4.04 1mx9B1 ALA 2545 HB3 0.06 0.02 0.09 -0.04 1.41 1.55 1mx9B1 PHE 2546 H 0.19 0.49 -0.27 -0.55 8.34 8.20 1mx9B1 PHE 2546 HA -0.15 0.01 0.47 -0.75 4.62 4.20 1mx9B1 PHE 2546 HB2 -0.19 -0.02 0.07 -0.04 3.15 2.96 1mx9B1 PHE 2546 HB3 -0.26 0.16 0.24 -0.04 3.06 3.16 1mx9B1 PHE 2546 HD2 -1.09 0.01 -0.04 -0.04 7.28 6.11 1mx9B1 PHE 2546 HE2 -1.10 -0.01 -0.05 -0.04 7.38 6.18 1mx9B1 PHE 2546 HZ -0.42 0.01 -0.15 -0.04 7.32 6.72 1mx9B1 TRP 2547 H 0.21 0.63 0.08 -0.55 7.97 8.35 1mx9B1 TRP 2547 HA -0.43 -0.01 0.42 -0.75 4.62 3.85 1mx9B1 TRP 2547 HB2 0.13 0.04 0.07 -0.04 3.23 3.43 1mx9B1 TRP 2547 HB3 0.16 0.02 -0.04 -0.04 3.23 3.33 1mx9B1 TRP 2547 HD1 0.24 0.01 -0.18 -0.04 7.22 7.26 1mx9B1 TRP 2547 HE1 0.42 -0.06 -0.03 -0.04 10.20 10.49 1mx9B1 TRP 2547 HE3 -1.03 0.01 -0.02 -0.04 7.59 6.52 1mx9B1 TRP 2547 HZ2 -0.01 -0.02 -0.02 -0.04 7.44 7.35 1mx9B1 TRP 2547 HZ3 -0.29 -0.01 -0.07 -0.04 7.13 6.72 1mx9B1 TRP 2547 HH2 0.04 -0.04 -0.07 -0.04 7.19 7.08 1mx9B1 THR 2548 H 0.20 0.67 -0.08 -0.55 8.28 8.53 1mx9B1 THR 2548 HA 0.22 0.01 0.26 -0.75 4.39 4.13 1mx9B1 THR 2548 HB 0.08 0.05 0.07 -0.04 4.32 4.48 1mx9B1 THR 2548 HG23 0.07 -0.01 -0.13 -0.04 1.22 1.11 1mx9B1 ASN 2549 H -0.05 0.33 -0.40 -0.55 8.53 7.86 1mx9B1 ASN 2549 HA -0.02 0.03 0.41 -0.75 4.76 4.42 1mx9B1 ASN 2549 HB2 -0.06 0.09 0.14 -0.04 2.88 3.00 1mx9B1 ASN 2549 HB3 -0.21 0.05 0.20 -0.04 2.79 2.79 1mx9B1 ASN 2549 HD21 -0.08 -0.05 -0.10 -0.04 7.03 6.76 1mx9B1 ASN 2549 HD22 -0.18 0.01 -0.16 -0.04 7.74 7.37 1mx9B1 LEU 2550 H -0.46 0.62 0.10 -0.55 8.37 8.08 1mx9B1 LEU 2550 HA -0.28 -0.05 0.34 -0.75 4.35 3.60 1mx9B1 LEU 2550 HB2 -1.12 0.02 0.12 -0.04 1.64 0.62 1mx9B1 LEU 2550 HB3 -0.76 0.05 0.16 -0.04 1.64 1.05 1mx9B1 LEU 2550 HG -0.35 0.01 -0.20 -0.04 1.64 1.05 1mx9B1 LEU 2550 HD13 -0.24 -0.02 0.03 -0.04 0.93 0.67 1mx9B1 LEU 2550 HD23 -0.61 -0.01 -0.08 -0.04 0.89 0.14 1mx9B1 PHE 2551 H -0.03 0.89 -0.27 -0.55 8.34 8.38 1mx9B1 PHE 2551 HA 0.06 -0.06 0.41 -0.75 4.62 4.28 1mx9B1 PHE 2551 HB2 0.09 0.20 0.03 -0.04 3.15 3.43 1mx9B1 PHE 2551 HB3 0.06 -0.05 -0.01 -0.04 3.06 3.01 1mx9B1 PHE 2551 HD2 0.15 -0.04 -0.05 -0.04 7.28 7.31 1mx9B1 PHE 2551 HE2 0.00 -0.04 -0.03 -0.04 7.38 7.28 1mx9B1 PHE 2551 HZ -0.07 0.11 -0.08 -0.04 7.32 7.23 1mx9B1 ALA 2552 H 0.08 0.56 -0.23 -0.55 8.40 8.26 1mx9B1 ALA 2552 HA 0.07 -0.04 0.40 -0.75 4.34 4.02 1mx9B1 ALA 2552 HB3 0.03 0.01 0.16 -0.04 1.41 1.56 1mx9B1 LYS 2553 H 0.05 0.43 -0.57 -0.55 8.42 7.77 1mx9B1 LYS 2553 HA 0.02 0.03 0.28 -0.75 4.32 3.90 1mx9B1 LYS 2553 HB2 0.03 0.13 0.11 -0.04 1.87 2.10 1mx9B1 LYS 2553 HB3 0.01 -0.12 0.06 -0.04 1.79 1.70 1mx9B1 LYS 2553 HG2 -0.02 -0.08 -0.03 -0.04 1.46 1.29 1mx9B1 LYS 2553 HG3 -0.03 0.15 -0.01 -0.04 1.46 1.52 1mx9B1 LYS 2553 HD2 -0.07 0.10 0.10 -0.04 1.69 1.77 1mx9B1 LYS 2553 HD3 -0.03 -0.10 0.01 -0.04 1.68 1.52 1mx9B1 LYS 2553 HE2 -0.05 -0.04 -0.05 -0.04 2.99 2.81 1mx9B1 LYS 2553 HE3 -0.11 0.02 -0.10 -0.04 2.99 2.76