============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 10 0.840 12.855 3.372 22.624 -99.200 -91.000 PHE 11 1.000 13.582 5.754 26.955 -99.200 -91.000 TRP 14 1.040 10.611 -1.238 27.623 -99.200 -91.000 TRP6 14 1.020 12.818 -0.465 27.976 -99.200 -91.000 TYR 17 0.840 5.844 -6.298 26.770 -99.200 -91.000 TYR 22 0.840 0.617 -12.813 23.039 -99.200 -91.000 HIS 23 0.900 2.528 -16.757 28.882 -99.200 -91.000 HIS 26 0.900 0.720 -18.361 32.274 -99.200 -91.000 PHE 43 1.000 19.184 -15.304 21.879 -99.200 -91.000 TRP 49 1.040 30.908 -22.532 19.052 -99.200 -91.000 TRP6 49 1.020 31.966 -21.880 21.061 -99.200 -91.000 PHE 59 1.000 34.871 -18.650 34.928 -99.200 -91.000 PHE 67 1.000 37.014 -17.913 39.218 -99.200 -91.000 PHE 73 1.000 42.840 -8.898 30.772 -99.200 -91.000 TYR 76 0.840 43.932 1.622 30.876 -99.200 -91.000 HIS 77 0.900 46.289 -0.926 27.137 -99.200 -91.000 PHE 82 1.000 35.647 -9.974 23.198 -99.200 -91.000 PHE 89 1.000 31.145 -11.508 14.203 -99.200 -91.000 PHE 100 1.000 37.356 -2.595 11.190 -99.200 -91.000 HIS 104 0.900 45.022 2.693 15.827 -99.200 -91.000 PHE 118 1.000 34.346 7.119 18.972 -99.200 -91.000 PHE 120 1.000 31.494 12.216 29.196 -99.200 -91.000 TYR 135 0.840 18.120 11.688 16.897 -99.200 -91.000 TYR 136 0.840 19.096 4.000 20.535 -99.200 -91.000 PHE 139 1.000 22.395 7.585 18.489 -99.200 -91.000 TRP 145 1.040 21.379 12.642 32.278 -99.200 -91.000 TRP6 145 1.020 21.195 10.526 33.311 -99.200 -91.000 HIS 155 0.900 15.094 18.455 10.841 -99.200 -91.000 PHE 162 1.000 11.940 9.132 5.896 -99.200 -91.000 TYR 173 0.840 28.894 24.355 10.108 -99.200 -91.000 TYR 205 0.840 33.019 8.321 -2.208 -99.200 -91.000 PHE 210 1.000 28.584 19.142 6.822 -99.200 -91.000 HIS 217 0.900 37.023 14.454 15.333 -99.200 -91.000 TYR 224 0.840 20.643 -1.836 14.647 -99.200 -91.000 PHE 229 1.000 16.882 -7.781 6.155 -99.200 -91.000 PHE 234 1.000 27.838 -2.102 6.734 -99.200 -91.000 TRP 253 1.040 43.862 8.195 8.281 -99.200 -91.000 TRP6 253 1.020 45.651 9.736 8.150 -99.200 -91.000 HIS 257 0.900 36.960 9.279 15.184 -99.200 -91.000 TYR 260 0.840 30.314 -5.002 15.960 -99.200 -91.000 PHE 271 1.000 26.160 -12.916 27.439 -99.200 -91.000 TYR 277 0.840 39.658 0.456 14.152 -99.200 -91.000 PHE 293 1.000 35.575 6.767 34.654 -99.200 -91.000 HIS 302 0.900 38.147 -18.026 28.354 -99.200 -91.000 TYR 317 0.840 24.683 -15.493 14.829 -99.200 -91.000 HIS 322 0.900 23.792 -11.365 6.307 -99.200 -91.000 PHE 351 1.000 15.684 -1.148 13.340 -99.200 -91.000 TRP 353 1.040 10.833 5.408 8.705 -99.200 -91.000 TRP6 353 1.020 10.629 5.952 11.001 -99.200 -91.000 HIS 358 0.900 -2.458 4.331 4.709 -99.200 -91.000 PHE 365 1.000 5.709 15.465 13.874 -99.200 -91.000 TRP 372 1.040 2.602 4.980 20.087 -99.200 -91.000 TRP6 372 1.020 2.796 5.820 22.287 -99.200 -91.000 TYR 377 0.840 -3.681 3.131 26.244 -99.200 -91.000 HIS 380 0.900 -5.002 -4.807 24.514 -99.200 -91.000 HIS 390 0.900 14.168 13.824 18.468 -99.200 -91.000 TRP 396 1.040 7.103 8.437 7.482 -99.200 -91.000 TRP6 396 1.020 7.479 6.779 5.836 -99.200 -91.000 PHE 397 1.000 2.921 5.211 14.090 -99.200 -91.000 PHE 401 1.000 12.533 -7.348 10.976 -99.200 -91.000 PHE 419 1.000 -6.752 0.697 14.754 -99.200 -91.000 TYR 423 0.840 -11.980 2.329 15.187 -99.200 -91.000 TYR 424 0.840 -7.922 4.492 9.889 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m7yA1 MET 3 HA 0.01 -0.08 0.20 -0.75 4.52 3.90 1m7yA1 MET 3 HB2 0.00 -0.03 0.04 -0.04 2.15 2.12 1m7yA1 MET 3 HB3 0.00 -0.04 0.08 -0.04 2.03 2.03 1m7yA1 MET 3 HG2 0.01 -0.00 -0.04 -0.04 2.63 2.56 1m7yA1 MET 3 HG3 0.00 -0.04 -0.03 -0.04 2.56 2.45 1m7yA1 MET 3 HE3 0.00 -0.03 -0.05 -0.04 2.10 1.98 1m7yA1 LEU 4 H 0.01 0.05 0.08 -0.55 8.37 7.96 1m7yA1 LEU 4 HA 0.01 -0.01 0.43 -0.75 4.35 4.02 1m7yA1 LEU 4 HB2 0.01 -0.03 0.11 -0.04 1.64 1.70 1m7yA1 LEU 4 HB3 0.02 0.04 0.05 -0.04 1.64 1.70 1m7yA1 LEU 4 HG 0.02 0.02 -0.12 -0.04 1.64 1.52 1m7yA1 LEU 4 HD13 0.01 -0.02 0.03 -0.04 0.93 0.92 1m7yA1 LEU 4 HD23 0.02 0.01 -0.06 -0.04 0.89 0.82 1m7yA1 SER 5 H 0.01 0.02 0.14 -0.55 8.46 8.08 1m7yA1 SER 5 HA 0.01 0.16 0.32 -0.75 4.49 4.22 1m7yA1 SER 5 HB2 -0.01 -0.03 0.19 -0.04 3.95 4.06 1m7yA1 SER 5 HB3 -0.01 0.08 0.16 -0.04 3.93 4.13 1m7yA1 ARG 6 H 0.01 0.09 0.17 -0.55 8.46 8.19 1m7yA1 ARG 6 HA 0.04 0.24 0.71 -0.75 4.34 4.58 1m7yA1 ARG 6 HB2 0.02 0.06 0.08 -0.04 1.90 2.02 1m7yA1 ARG 6 HB3 0.02 -0.04 0.17 -0.04 1.80 1.91 1m7yA1 ARG 6 HG2 0.07 0.02 -0.22 -0.04 1.67 1.50 1m7yA1 ARG 6 HG3 0.04 0.01 0.02 -0.04 1.67 1.71 1m7yA1 ARG 6 HD2 0.04 0.03 -0.02 -0.04 3.22 3.23 1m7yA1 ARG 6 HD3 0.02 0.00 0.00 -0.04 3.22 3.21 1m7yA1 ASN 7 H 0.01 0.09 0.12 -0.55 8.53 8.21 1m7yA1 ASN 7 HA 0.22 0.17 0.41 -0.75 4.76 4.81 1m7yA1 ASN 7 HB2 -0.12 -0.08 0.09 -0.04 2.88 2.73 1m7yA1 ASN 7 HB3 -0.39 0.04 -0.02 -0.04 2.79 2.38 1m7yA1 ASN 7 HD21 -0.11 0.10 0.09 -0.04 7.03 7.07 1m7yA1 ASN 7 HD22 -0.25 -0.05 0.05 -0.04 7.74 7.46 1m7yA1 ALA 8 H 0.05 -0.01 -0.46 -0.55 8.40 7.44 1m7yA1 ALA 8 HA 0.21 0.11 0.41 -0.75 4.34 4.31 1m7yA1 ALA 8 HB3 0.05 -0.00 -0.03 -0.04 1.41 1.38 1m7yA1 THR 9 H 0.14 0.36 -0.89 -0.55 8.28 7.35 1m7yA1 THR 9 HA 0.07 0.16 0.67 -0.75 4.39 4.54 1m7yA1 THR 9 HB 0.04 -0.06 0.04 -0.04 4.32 4.29 1m7yA1 THR 9 HG23 0.04 -0.03 -0.26 -0.04 1.22 0.93 1m7yA1 SER 17 HA 0.12 -0.01 0.21 -0.75 4.49 4.06 1m7yA1 SER 17 HB2 0.04 0.03 0.02 -0.04 3.95 4.00 1m7yA1 SER 17 HB3 0.13 -0.02 0.12 -0.04 3.93 4.12 1m7yA1 SER 18 H -0.20 0.30 0.16 -0.55 8.46 8.17 1m7yA1 SER 18 HA -0.09 0.09 0.50 -0.75 4.49 4.23 1m7yA1 SER 18 HB2 -0.74 -0.03 0.17 -0.04 3.95 3.31 1m7yA1 SER 18 HB3 -2.08 0.04 0.14 -0.04 3.93 1.99 1m7yA1 TYR 19 H -0.07 0.15 -0.17 -0.55 8.29 7.65 1m7yA1 TYR 19 HA -0.13 0.09 0.38 -0.75 4.56 4.16 1m7yA1 TYR 19 HB2 -0.28 0.01 0.09 -0.04 3.06 2.84 1m7yA1 TYR 19 HB3 -0.39 0.02 0.05 -0.04 2.98 2.61 1m7yA1 TYR 19 HD2 -1.00 0.01 -0.10 -0.04 7.15 6.02 1m7yA1 TYR 19 HE2 -0.37 0.03 -0.02 -0.04 6.85 6.45 1m7yA1 PHE 20 H 0.19 0.23 -0.31 -0.55 8.34 7.90 1m7yA1 PHE 20 HA 0.27 0.09 0.57 -0.75 4.62 4.80 1m7yA1 PHE 20 HB2 0.11 0.13 0.06 -0.04 3.15 3.41 1m7yA1 PHE 20 HB3 0.10 0.03 0.00 -0.04 3.06 3.14 1m7yA1 PHE 20 HD2 0.30 0.03 -0.01 -0.04 7.28 7.56 1m7yA1 PHE 20 HE2 0.27 0.02 -0.07 -0.04 7.38 7.56 1m7yA1 PHE 20 HZ 0.11 -0.04 -0.07 -0.04 7.32 7.28 1m7yA1 LEU 21 H 0.23 0.27 -0.18 -0.55 8.37 8.15 1m7yA1 LEU 21 HA 0.20 0.07 0.46 -0.75 4.35 4.33 1m7yA1 LEU 21 HB2 0.22 0.13 0.13 -0.04 1.64 2.07 1m7yA1 LEU 21 HB3 0.51 -0.01 0.23 -0.04 1.64 2.32 1m7yA1 LEU 21 HG 0.19 0.01 0.01 -0.04 1.64 1.82 1m7yA1 LEU 21 HD13 0.32 -0.00 -0.02 -0.04 0.93 1.18 1m7yA1 LEU 21 HD23 0.29 -0.01 -0.14 -0.04 0.89 0.98 1m7yA1 GLY 22 H 0.48 0.79 0.12 -0.55 8.43 9.28 1m7yA1 GLY 22 HA2 0.20 0.05 0.36 -0.51 4.01 4.11 1m7yA1 GLY 22 HA3 0.49 0.09 0.29 -0.51 4.01 4.36 1m7yA1 TRP 23 H 0.30 0.22 -0.61 -0.55 7.97 7.34 1m7yA1 TRP 23 HA 0.00 -0.01 0.35 -0.75 4.62 4.21 1m7yA1 TRP 23 HB2 -0.22 0.13 0.10 -0.04 3.23 3.20 1m7yA1 TRP 23 HB3 0.02 0.16 0.09 -0.04 3.23 3.45 1m7yA1 TRP 23 HD1 0.09 -0.03 0.06 -0.04 7.22 7.30 1m7yA1 TRP 23 HE1 0.08 0.00 -0.04 -0.04 10.20 10.20 1m7yA1 TRP 23 HE3 0.13 0.01 -0.02 -0.04 7.59 7.67 1m7yA1 TRP 23 HZ2 0.08 -0.00 -0.05 -0.04 7.44 7.43 1m7yA1 TRP 23 HZ3 0.40 -0.03 -0.05 -0.04 7.13 7.41 1m7yA1 TRP 23 HH2 0.15 -0.02 -0.04 -0.04 7.19 7.23 1m7yA1 GLN 24 H 0.18 0.46 -0.17 -0.55 8.47 8.40 1m7yA1 GLN 24 HA -0.09 0.01 0.44 -0.75 4.36 3.96 1m7yA1 GLN 24 HB2 0.06 0.13 0.16 -0.04 2.15 2.46 1m7yA1 GLN 24 HB3 -0.03 -0.04 0.04 -0.04 2.02 1.95 1m7yA1 GLN 24 HG2 -0.20 -0.07 0.03 -0.04 2.40 2.12 1m7yA1 GLN 24 HG3 -0.00 0.37 0.17 -0.04 2.39 2.88 1m7yA1 GLN 24 HE21 -0.07 -0.01 -0.02 -0.04 6.97 6.83 1m7yA1 GLN 24 HE22 -0.14 -0.02 -0.01 -0.04 7.69 7.48 1m7yA1 GLU 25 H 0.11 0.45 -0.21 -0.55 8.60 8.41 1m7yA1 GLU 25 HA -0.00 0.02 0.38 -0.75 4.29 3.93 1m7yA1 GLU 25 HB2 -0.03 0.12 0.06 -0.04 2.09 2.19 1m7yA1 GLU 25 HB3 -0.16 0.01 -0.01 -0.04 1.99 1.79 1m7yA1 GLU 25 HG2 0.08 0.26 -0.05 -0.04 2.34 2.59 1m7yA1 GLU 25 HG3 -0.11 -0.06 -0.07 -0.04 2.34 2.06 1m7yA1 TYR 26 H 0.23 0.34 -0.44 -0.55 8.29 7.87 1m7yA1 TYR 26 HA -0.01 0.10 0.32 -0.75 4.56 4.21 1m7yA1 TYR 26 HB2 0.07 -0.04 0.00 -0.04 3.06 3.05 1m7yA1 TYR 26 HB3 0.20 0.23 0.14 -0.04 2.98 3.51 1m7yA1 TYR 26 HD2 0.14 0.06 -0.15 -0.04 7.15 7.17 1m7yA1 TYR 26 HE2 0.12 -0.00 0.08 -0.04 6.85 7.01 1m7yA1 GLU 27 H 0.14 0.30 -0.18 -0.55 8.60 8.32 1m7yA1 GLU 27 HA -0.13 -0.02 0.34 -0.75 4.29 3.73 1m7yA1 GLU 27 HB2 -0.04 0.14 0.10 -0.04 2.09 2.24 1m7yA1 GLU 27 HB3 -0.04 -0.07 0.05 -0.04 1.99 1.90 1m7yA1 GLU 27 HG2 0.05 0.28 0.21 -0.04 2.34 2.84 1m7yA1 GLU 27 HG3 -0.17 -0.08 0.02 -0.04 2.34 2.08 1m7yA1 LYS 28 H -0.05 0.30 -0.37 -0.55 8.42 7.75 1m7yA1 LYS 28 HA -0.05 -0.02 0.41 -0.75 4.32 3.90 1m7yA1 LYS 28 HB2 -0.05 0.17 0.06 -0.04 1.87 2.01 1m7yA1 LYS 28 HB3 -0.03 -0.07 0.04 -0.04 1.79 1.69 1m7yA1 LYS 28 HG2 -0.02 -0.07 0.01 -0.04 1.46 1.33 1m7yA1 LYS 28 HG3 -0.02 0.27 0.07 -0.04 1.46 1.74 1m7yA1 LYS 28 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 1m7yA1 LYS 28 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.59 1m7yA1 LYS 28 HE2 -0.00 -0.03 -0.05 -0.04 2.99 2.87 1m7yA1 LYS 28 HE3 0.01 0.01 -0.20 -0.04 2.99 2.77 1m7yA1 ASN 29 H -0.14 0.29 -0.41 -0.55 8.53 7.72 1m7yA1 ASN 29 HA -0.10 0.12 0.69 -0.75 4.76 4.71 1m7yA1 ASN 29 HB2 -0.09 0.01 -0.15 -0.04 2.88 2.61 1m7yA1 ASN 29 HB3 -0.15 0.00 0.14 -0.04 2.79 2.74 1m7yA1 ASN 29 HD21 -0.14 0.03 -0.05 -0.04 7.03 6.83 1m7yA1 ASN 29 HD22 -0.32 0.03 0.07 -0.04 7.74 7.47 1m7yA1 PRO 30 HA -0.49 0.09 0.65 -0.51 4.44 4.19 1m7yA1 PRO 30 HB2 -0.23 -0.01 0.03 -0.04 2.28 2.02 1m7yA1 PRO 30 HB3 -1.00 0.01 0.06 -0.04 2.02 1.06 1m7yA1 PRO 30 HG2 -0.10 -0.08 0.04 -0.04 2.03 1.85 1m7yA1 PRO 30 HG3 -0.15 -0.01 0.05 -0.04 2.03 1.88 1m7yA1 PRO 30 HD2 -0.13 0.06 0.00 -0.04 3.68 3.57 1m7yA1 PRO 30 HD3 -0.24 0.36 -0.14 -0.04 3.65 3.59 1m7yA1 TYR 31 H 0.30 0.30 0.22 -0.55 8.29 8.57 1m7yA1 TYR 31 HA 0.06 0.16 0.53 -0.75 4.56 4.55 1m7yA1 TYR 31 HB2 0.09 0.21 -0.62 -0.04 3.06 2.70 1m7yA1 TYR 31 HB3 0.14 -0.11 0.01 -0.04 2.98 2.98 1m7yA1 TYR 31 HD2 0.06 0.04 -0.20 -0.04 7.15 7.01 1m7yA1 TYR 31 HE2 0.03 0.07 -0.03 -0.04 6.85 6.88 1m7yA1 HIS 32 H -0.68 0.59 -0.05 -0.55 8.41 7.73 1m7yA1 HIS 32 HA -0.38 0.12 0.63 -0.75 4.63 4.24 1m7yA1 HIS 32 HB2 -0.14 0.32 -0.22 -0.04 3.26 3.18 1m7yA1 HIS 32 HB3 -0.17 -0.70 0.17 -0.04 3.20 2.46 1m7yA1 HIS 32 HD2 -0.08 0.13 0.01 -0.04 6.97 6.99 1m7yA1 HIS 32 HE1 -0.46 0.08 -0.03 -0.04 7.75 7.31 1m7yA1 GLU 33 H -0.51 0.20 0.06 -0.55 8.60 7.81 1m7yA1 GLU 33 HA -0.16 0.16 0.34 -0.75 4.29 3.87 1m7yA1 GLU 33 HB2 0.03 0.05 0.15 -0.04 2.09 2.29 1m7yA1 GLU 33 HB3 0.07 0.01 0.09 -0.04 1.99 2.12 1m7yA1 GLU 33 HG2 -0.25 -0.06 0.05 -0.04 2.34 2.04 1m7yA1 GLU 33 HG3 -0.08 0.04 -0.17 -0.04 2.34 2.10 1m7yA1 VAL 34 H 0.36 -0.21 -0.84 -0.55 8.24 6.99 1m7yA1 VAL 34 HA 0.05 0.27 0.91 -0.75 4.13 4.60 1m7yA1 VAL 34 HB -0.08 -0.07 -0.00 -0.04 2.12 1.92 1m7yA1 VAL 34 HG13 0.08 0.02 -0.09 -0.04 0.97 0.94 1m7yA1 VAL 34 HG23 0.01 -0.01 -0.22 -0.04 0.95 0.69 1m7yA1 HIS 35 H -0.18 -0.11 0.03 -0.55 8.41 7.61 1m7yA1 HIS 35 HA -0.13 0.23 0.79 -0.75 4.63 4.77 1m7yA1 HIS 35 HB2 -0.60 -0.03 0.10 -0.04 3.26 2.70 1m7yA1 HIS 35 HB3 -0.24 0.08 0.02 -0.04 3.20 3.02 1m7yA1 HIS 35 HD2 -0.14 0.08 -0.33 -0.04 6.97 6.54 1m7yA1 HIS 35 HE1 -0.12 0.01 -0.01 -0.04 7.75 7.58 1m7yA1 ASN 36 H 0.01 0.01 0.06 -0.55 8.53 8.06 1m7yA1 ASN 36 HA 0.02 0.22 0.88 -0.75 4.76 5.12 1m7yA1 ASN 36 HB2 0.00 0.00 -0.09 -0.04 2.88 2.75 1m7yA1 ASN 36 HB3 0.00 0.09 0.25 -0.04 2.79 3.09 1m7yA1 ASN 36 HD21 -0.01 0.02 -0.09 -0.04 7.03 6.91 1m7yA1 ASN 36 HD22 0.01 0.55 -0.01 -0.04 7.74 8.24 1m7yA1 THR 37 H 0.03 0.22 -0.17 -0.55 8.28 7.80 1m7yA1 THR 37 HA -0.07 0.02 0.28 -0.75 4.39 3.86 1m7yA1 THR 37 HB 0.18 0.01 0.08 -0.04 4.32 4.54 1m7yA1 THR 37 HG23 0.03 -0.05 -0.18 -0.04 1.22 0.98 1m7yA1 ASN 38 H 0.12 -0.03 -0.62 -0.55 8.53 7.46 1m7yA1 ASN 38 HA 0.20 0.25 0.85 -0.75 4.76 5.30 1m7yA1 ASN 38 HB2 0.11 -0.09 -0.07 -0.04 2.88 2.78 1m7yA1 ASN 38 HB3 0.13 -0.01 -0.06 -0.04 2.79 2.82 1m7yA1 ASN 38 HD21 0.04 0.02 0.00 -0.04 7.03 7.06 1m7yA1 ASN 38 HD22 0.08 -0.06 -0.02 -0.04 7.74 7.70 1m7yA1 GLY 39 H 0.22 0.26 -0.16 -0.55 8.43 8.20 1m7yA1 GLY 39 HA2 -0.01 0.07 0.33 -0.51 4.01 3.90 1m7yA1 GLY 39 HA3 0.10 0.10 0.03 -0.51 4.01 3.72 1m7yA1 ILE 40 H -0.05 0.58 0.23 -0.55 8.25 8.46 1m7yA1 ILE 40 HA 0.04 0.44 0.58 -0.75 4.18 4.49 1m7yA1 ILE 40 HB 0.08 0.00 0.10 -0.04 1.89 2.03 1m7yA1 ILE 40 HG12 -0.23 0.05 -0.03 -0.04 1.49 1.23 1m7yA1 ILE 40 HG13 -0.29 0.04 0.10 -0.04 1.21 1.02 1m7yA1 ILE 40 HG23 0.08 -0.06 -0.44 -0.04 0.93 0.48 1m7yA1 ILE 40 HD13 -0.19 -0.00 -0.17 -0.04 0.88 0.48 1m7yA1 ILE 41 H 0.03 0.66 0.40 -0.55 8.25 8.80 1m7yA1 ILE 41 HA 0.11 0.01 0.74 -0.75 4.18 4.29 1m7yA1 ILE 41 HB -0.08 0.03 0.20 -0.04 1.89 2.00 1m7yA1 ILE 41 HG12 -0.62 -0.12 -0.03 -0.04 1.49 0.67 1m7yA1 ILE 41 HG13 -0.22 0.25 -0.00 -0.04 1.21 1.20 1m7yA1 ILE 41 HG23 -0.09 -0.02 -0.19 -0.04 0.93 0.59 1m7yA1 ILE 41 HD13 -0.30 0.03 -0.02 -0.04 0.88 0.54 1m7yA1 GLN 42 H 0.00 0.15 0.18 -0.55 8.47 8.26 1m7yA1 GLN 42 HA -0.22 0.04 0.68 -0.75 4.36 4.10 1m7yA1 GLN 42 HB2 -1.22 0.07 0.12 -0.04 2.15 1.08 1m7yA1 GLN 42 HB3 -0.28 0.06 0.25 -0.04 2.02 2.00 1m7yA1 GLN 42 HG2 -0.43 0.03 0.02 -0.04 2.40 1.99 1m7yA1 GLN 42 HG3 -0.26 -0.06 -0.15 -0.04 2.39 1.87 1m7yA1 GLN 42 HE21 -0.23 0.02 -0.03 -0.04 6.97 6.69 1m7yA1 GLN 42 HE22 -0.44 0.04 -0.01 -0.04 7.69 7.23 1m7yA1 MET 43 H -0.08 0.44 0.36 -0.55 8.47 8.65 1m7yA1 MET 43 HA -0.05 0.17 0.80 -0.75 4.52 4.69 1m7yA1 MET 43 HB2 -0.00 0.13 0.07 -0.04 2.15 2.31 1m7yA1 MET 43 HB3 0.02 -0.11 0.26 -0.04 2.03 2.16 1m7yA1 MET 43 HG2 -0.01 0.10 -0.10 -0.04 2.63 2.58 1m7yA1 MET 43 HG3 -0.04 -0.05 -0.55 -0.04 2.56 1.88 1m7yA1 MET 43 HE3 0.05 -0.01 -0.08 -0.04 2.10 2.02 1m7yA1 GLY 44 H -0.14 0.04 0.07 -0.55 8.43 7.86 1m7yA1 GLY 44 HA2 -0.00 0.18 0.87 -0.51 4.01 4.55 1m7yA1 GLY 44 HA3 -0.08 0.03 0.12 -0.51 4.01 3.58 1m7yA1 LEU 45 H -0.17 0.17 -0.07 -0.55 8.37 7.75 1m7yA1 LEU 45 HA -0.19 0.15 0.87 -0.75 4.35 4.44 1m7yA1 LEU 45 HB2 -0.28 0.03 0.02 -0.04 1.64 1.37 1m7yA1 LEU 45 HB3 -0.34 0.01 -0.10 -0.04 1.64 1.17 1m7yA1 LEU 45 HG -0.58 -0.10 -0.24 -0.04 1.64 0.68 1m7yA1 LEU 45 HD13 -0.94 0.02 -0.06 -0.04 0.93 -0.09 1m7yA1 LEU 45 HD23 -1.11 0.06 -0.11 -0.04 0.89 -0.31 1m7yA1 ALA 46 H -0.01 0.15 0.00 -0.55 8.40 7.99 1m7yA1 ALA 46 HA 0.05 0.16 0.49 -0.75 4.34 4.28 1m7yA1 ALA 46 HB3 0.22 -0.01 0.03 -0.04 1.41 1.61 1m7yA1 GLU 47 H -0.05 0.41 0.22 -0.55 8.60 8.63 1m7yA1 GLU 47 HA -0.01 0.15 0.82 -0.75 4.29 4.50 1m7yA1 GLU 47 HB2 -0.02 0.04 -0.08 -0.04 2.09 1.99 1m7yA1 GLU 47 HB3 0.01 0.01 -0.00 -0.04 1.99 1.97 1m7yA1 GLU 47 HG2 -0.08 -0.09 -0.54 -0.04 2.34 1.58 1m7yA1 GLU 47 HG3 -0.03 0.04 -0.15 -0.04 2.34 2.16 1m7yA1 ASN 48 H -0.02 0.21 0.12 -0.55 8.53 8.28 1m7yA1 ASN 48 HA -0.06 0.20 0.99 -0.75 4.76 5.14 1m7yA1 ASN 48 HB2 -0.03 0.03 -0.01 -0.04 2.88 2.82 1m7yA1 ASN 48 HB3 -0.08 -0.01 0.17 -0.04 2.79 2.83 1m7yA1 ASN 48 HD21 -0.01 -0.03 0.03 -0.04 7.03 6.97 1m7yA1 ASN 48 HD22 0.02 0.26 0.10 -0.04 7.74 8.08 1m7yA1 GLN 49 H -0.03 0.85 0.29 -0.55 8.47 9.03 1m7yA1 GLN 49 HA -0.20 0.16 0.89 -0.75 4.36 4.46 1m7yA1 GLN 49 HB2 0.06 0.12 0.08 -0.04 2.15 2.37 1m7yA1 GLN 49 HB3 0.18 -0.05 0.17 -0.04 2.02 2.29 1m7yA1 GLN 49 HG2 0.31 0.02 -0.07 -0.04 2.40 2.61 1m7yA1 GLN 49 HG3 0.09 -0.02 -0.12 -0.04 2.39 2.29 1m7yA1 GLN 49 HE21 0.06 0.05 -0.14 -0.04 6.97 6.90 1m7yA1 GLN 49 HE22 0.05 -0.02 -0.14 -0.04 7.69 7.54 1m7yA1 LEU 50 H -0.13 0.11 -0.11 -0.55 8.37 7.69 1m7yA1 LEU 50 HA -0.04 0.18 0.62 -0.75 4.35 4.36 1m7yA1 LEU 50 HB2 -0.08 0.03 0.05 -0.04 1.64 1.60 1m7yA1 LEU 50 HB3 -0.06 0.02 0.06 -0.04 1.64 1.62 1m7yA1 LEU 50 HG -0.01 -0.05 0.15 -0.04 1.64 1.69 1m7yA1 LEU 50 HD13 0.02 0.03 -0.09 -0.04 0.93 0.84 1m7yA1 LEU 50 HD23 0.01 0.02 0.02 -0.04 0.89 0.90 1m7yA1 CYS 51 H -0.27 0.15 -0.16 -0.55 8.50 7.67 1m7yA1 CYS 51 HA -0.06 0.27 1.09 -0.75 4.58 5.12 1m7yA1 CYS 51 HB2 -0.12 0.10 0.02 -0.04 2.97 2.94 1m7yA1 CYS 51 HB3 -0.22 -0.07 0.17 -0.04 2.97 2.82 1m7yA1 PHE 52 H -0.08 0.27 -0.14 -0.55 8.34 7.84 1m7yA1 PHE 52 HA 0.08 0.11 0.41 -0.75 4.62 4.46 1m7yA1 PHE 52 HB2 0.03 0.05 0.07 -0.04 3.15 3.27 1m7yA1 PHE 52 HB3 0.04 0.00 0.03 -0.04 3.06 3.09 1m7yA1 PHE 52 HD2 0.01 -0.01 0.06 -0.04 7.28 7.30 1m7yA1 PHE 52 HE2 -0.05 0.04 0.08 -0.04 7.38 7.41 1m7yA1 PHE 52 HZ -0.05 0.10 0.17 -0.04 7.32 7.50 1m7yA1 ASP 53 H 0.13 0.17 -0.29 -0.55 8.40 7.87 1m7yA1 ASP 53 HA 0.12 0.07 0.37 -0.75 4.63 4.43 1m7yA1 ASP 53 HB2 0.07 0.04 0.01 -0.04 2.71 2.79 1m7yA1 ASP 53 HB3 0.08 0.04 0.06 -0.04 2.70 2.84 1m7yA1 LEU 54 H 0.11 0.32 -0.30 -0.55 8.37 7.95 1m7yA1 LEU 54 HA 0.12 0.07 0.43 -0.75 4.35 4.21 1m7yA1 LEU 54 HB2 0.23 0.14 0.10 -0.04 1.64 2.06 1m7yA1 LEU 54 HB3 0.17 -0.01 0.03 -0.04 1.64 1.79 1m7yA1 LEU 54 HG -0.00 -0.05 0.07 -0.04 1.64 1.62 1m7yA1 LEU 54 HD13 -0.20 0.01 0.01 -0.04 0.93 0.70 1m7yA1 LEU 54 HD23 0.03 -0.00 -0.03 -0.04 0.89 0.84 1m7yA1 LEU 55 H 0.21 0.29 -0.15 -0.55 8.37 8.17 1m7yA1 LEU 55 HA 0.17 0.06 0.54 -0.75 4.35 4.37 1m7yA1 LEU 55 HB2 0.22 0.09 0.13 -0.04 1.64 2.04 1m7yA1 LEU 55 HB3 0.12 -0.03 0.02 -0.04 1.64 1.71 1m7yA1 LEU 55 HG 0.19 0.06 0.03 -0.04 1.64 1.88 1m7yA1 LEU 55 HD13 0.01 0.01 0.00 -0.04 0.93 0.91 1m7yA1 LEU 55 HD23 -0.19 -0.01 -0.08 -0.04 0.89 0.57 1m7yA1 GLU 56 H 0.18 0.69 0.02 -0.55 8.60 8.94 1m7yA1 GLU 56 HA 0.13 0.02 0.40 -0.75 4.29 4.08 1m7yA1 GLU 56 HB2 0.11 0.04 0.12 -0.04 2.09 2.32 1m7yA1 GLU 56 HB3 0.08 -0.01 -0.01 -0.04 1.99 2.01 1m7yA1 GLU 56 HG2 0.06 -0.01 0.01 -0.04 2.34 2.36 1m7yA1 GLU 56 HG3 0.12 0.05 0.04 -0.04 2.34 2.51 1m7yA1 SER 57 H 0.14 0.50 -0.32 -0.55 8.46 8.24 1m7yA1 SER 57 HA 0.07 0.03 0.41 -0.75 4.49 4.24 1m7yA1 SER 57 HB2 0.13 0.11 0.15 -0.04 3.95 4.30 1m7yA1 SER 57 HB3 0.08 0.00 0.01 -0.04 3.93 3.98 1m7yA1 TRP 58 H 0.31 0.40 -0.19 -0.55 7.97 7.94 1m7yA1 TRP 58 HA 0.02 0.01 0.39 -0.75 4.62 4.28 1m7yA1 TRP 58 HB2 0.03 0.08 0.18 -0.04 3.23 3.48 1m7yA1 TRP 58 HB3 0.02 0.10 0.16 -0.04 3.23 3.47 1m7yA1 TRP 58 HD1 0.01 -0.03 0.05 -0.04 7.22 7.21 1m7yA1 TRP 58 HE1 -0.01 -0.06 0.06 -0.04 10.20 10.15 1m7yA1 TRP 58 HE3 -0.01 0.07 -0.30 -0.04 7.59 7.31 1m7yA1 TRP 58 HZ2 -0.03 0.06 -0.08 -0.04 7.44 7.35 1m7yA1 TRP 58 HZ3 -0.06 -0.02 -0.01 -0.04 7.13 7.00 1m7yA1 TRP 58 HH2 -0.07 -0.09 -0.12 -0.04 7.19 6.87 1m7yA1 LEU 59 H 0.30 0.55 -0.19 -0.55 8.37 8.49 1m7yA1 LEU 59 HA 0.11 0.05 0.35 -0.75 4.35 4.10 1m7yA1 LEU 59 HB2 0.13 0.12 0.09 -0.04 1.64 1.95 1m7yA1 LEU 59 HB3 0.10 -0.04 -0.03 -0.04 1.64 1.63 1m7yA1 LEU 59 HG 0.35 0.12 0.03 -0.04 1.64 2.10 1m7yA1 LEU 59 HD13 0.14 -0.03 -0.07 -0.04 0.93 0.93 1m7yA1 LEU 59 HD23 0.30 -0.02 -0.01 -0.04 0.89 1.12 1m7yA1 ALA 60 H 0.02 0.42 -0.32 -0.55 8.40 7.98 1m7yA1 ALA 60 HA -0.03 0.02 0.43 -0.75 4.34 4.00 1m7yA1 ALA 60 HB3 -0.01 0.02 0.10 -0.04 1.41 1.49 1m7yA1 LYS 61 H -0.17 0.35 -0.26 -0.55 8.42 7.79 1m7yA1 LYS 61 HA -0.14 0.09 0.65 -0.75 4.32 4.17 1m7yA1 LYS 61 HB2 -0.33 0.06 0.09 -0.04 1.87 1.65 1m7yA1 LYS 61 HB3 -0.19 -0.08 0.09 -0.04 1.79 1.57 1m7yA1 LYS 61 HG2 -0.07 -0.03 -0.03 -0.04 1.46 1.28 1m7yA1 LYS 61 HG3 -0.07 0.26 0.05 -0.04 1.46 1.65 1m7yA1 LYS 61 HD2 -0.06 -0.04 -0.00 -0.04 1.69 1.55 1m7yA1 LYS 61 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.55 1m7yA1 LYS 61 HE2 0.01 0.02 -0.20 -0.04 2.99 2.77 1m7yA1 LYS 61 HE3 -0.12 0.01 -0.03 -0.04 2.99 2.80 1m7yA1 ASN 62 H -0.48 0.38 -0.27 -0.55 8.53 7.60 1m7yA1 ASN 62 HA -0.34 0.12 0.85 -0.75 4.76 4.64 1m7yA1 ASN 62 HB2 -2.00 0.05 0.18 -0.04 2.88 1.07 1m7yA1 ASN 62 HB3 -0.72 -0.14 0.14 -0.04 2.79 2.02 1m7yA1 ASN 62 HD21 -0.90 -0.07 -0.05 -0.04 7.03 5.97 1m7yA1 ASN 62 HD22 -1.88 0.45 0.10 -0.04 7.74 6.37 1m7yA1 PRO 63 HA -0.06 0.12 0.51 -0.51 4.44 4.50 1m7yA1 PRO 63 HB2 -0.04 -0.03 0.01 -0.04 2.28 2.18 1m7yA1 PRO 63 HB3 -0.06 0.14 0.07 -0.04 2.02 2.14 1m7yA1 PRO 63 HG2 -0.06 -0.07 -0.03 -0.04 2.03 1.83 1m7yA1 PRO 63 HG3 -0.06 0.08 -0.01 -0.04 2.03 2.00 1m7yA1 PRO 63 HD2 -0.15 0.12 -0.05 -0.04 3.68 3.57 1m7yA1 PRO 63 HD3 -0.14 0.31 -0.42 -0.04 3.65 3.35 1m7yA1 GLU 64 H -0.08 0.13 -0.30 -0.55 8.60 7.81 1m7yA1 GLU 64 HA 0.01 0.10 0.33 -0.75 4.29 3.98 1m7yA1 GLU 64 HB2 -0.01 0.00 0.04 -0.04 2.09 2.08 1m7yA1 GLU 64 HB3 0.04 0.09 -0.15 -0.04 1.99 1.93 1m7yA1 GLU 64 HG2 0.01 0.03 -0.07 -0.04 2.34 2.27 1m7yA1 GLU 64 HG3 -0.03 0.06 -0.02 -0.04 2.34 2.31 1m7yA1 ALA 65 H 0.02 0.21 -0.07 -0.55 8.40 8.00 1m7yA1 ALA 65 HA 0.11 0.11 0.41 -0.75 4.34 4.21 1m7yA1 ALA 65 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 1m7yA1 ALA 66 H 0.00 0.21 -0.18 -0.55 8.40 7.89 1m7yA1 ALA 66 HA -0.19 0.04 0.45 -0.75 4.34 3.88 1m7yA1 ALA 66 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 1m7yA1 ALA 67 H -0.02 0.28 -0.59 -0.55 8.40 7.52 1m7yA1 ALA 67 HA 0.02 0.14 0.68 -0.75 4.34 4.42 1m7yA1 ALA 67 HB3 0.03 -0.00 0.07 -0.04 1.41 1.47 1m7yA1 PHE 68 H -0.17 0.40 -0.37 -0.55 8.34 7.65 1m7yA1 PHE 68 HA 0.03 0.04 0.27 -0.75 4.62 4.21 1m7yA1 PHE 68 HB2 0.10 0.29 0.08 -0.04 3.15 3.58 1m7yA1 PHE 68 HB3 0.14 -0.28 0.22 -0.04 3.06 3.10 1m7yA1 PHE 68 HD2 0.05 0.01 -0.11 -0.04 7.28 7.19 1m7yA1 PHE 68 HE2 0.06 -0.03 -0.01 -0.04 7.38 7.37 1m7yA1 PHE 68 HZ 0.15 -0.03 0.00 -0.04 7.32 7.40 1m7yA1 LYS 69 H 0.13 0.48 -0.06 -0.55 8.42 8.41 1m7yA1 LYS 69 HA 0.09 0.27 0.86 -0.75 4.32 4.78 1m7yA1 LYS 69 HB2 0.07 -0.02 -0.07 -0.04 1.87 1.81 1m7yA1 LYS 69 HB3 0.06 -0.14 -0.24 -0.04 1.79 1.43 1m7yA1 LYS 69 HG2 0.07 -0.01 -0.31 -0.04 1.46 1.16 1m7yA1 LYS 69 HG3 0.10 0.22 -0.54 -0.04 1.46 1.19 1m7yA1 LYS 69 HD2 0.03 -0.04 -0.12 -0.04 1.69 1.52 1m7yA1 LYS 69 HD3 0.03 -0.04 -0.16 -0.04 1.68 1.47 1m7yA1 LYS 69 HE2 0.04 -0.01 -0.09 -0.04 2.99 2.88 1m7yA1 LYS 69 HE3 0.05 0.09 -0.06 -0.04 2.99 3.02 1m7yA1 LYS 70 H 0.06 0.94 0.17 -0.55 8.42 9.04 1m7yA1 LYS 70 HA 0.11 0.09 0.75 -0.75 4.32 4.51 1m7yA1 LYS 70 HB2 0.09 0.02 -0.17 -0.04 1.87 1.77 1m7yA1 LYS 70 HB3 0.04 0.05 0.03 -0.04 1.79 1.87 1m7yA1 LYS 70 HG2 0.06 0.02 -0.24 -0.04 1.46 1.26 1m7yA1 LYS 70 HG3 0.11 -0.01 -0.01 -0.04 1.46 1.52 1m7yA1 LYS 70 HD2 0.07 -0.02 -0.06 -0.04 1.69 1.64 1m7yA1 LYS 70 HD3 0.03 0.01 -0.07 -0.04 1.68 1.61 1m7yA1 LYS 70 HE2 0.04 0.02 -0.06 -0.04 2.99 2.94 1m7yA1 LYS 70 HE3 0.06 -0.00 -0.04 -0.04 2.99 2.96 1m7yA1 ASN 71 H 0.05 0.18 0.08 -0.55 8.53 8.29 1m7yA1 ASN 71 HA 0.03 0.06 0.32 -0.75 4.76 4.41 1m7yA1 ASN 71 HB2 0.03 0.21 -0.05 -0.04 2.88 3.02 1m7yA1 ASN 71 HB3 0.02 0.03 0.22 -0.04 2.79 3.03 1m7yA1 ASN 71 HD21 0.03 0.01 -0.03 -0.04 7.03 6.99 1m7yA1 ASN 71 HD22 0.03 0.03 -0.04 -0.04 7.74 7.72 1m7yA1 GLY 72 H 0.03 0.02 -0.30 -0.55 8.43 7.63 1m7yA1 GLY 72 HA2 0.02 -0.00 0.20 -0.51 4.01 3.71 1m7yA1 GLY 72 HA3 0.02 0.12 0.39 -0.51 4.01 4.03 1m7yA1 GLU 73 H 0.03 0.38 -0.69 -0.55 8.60 7.78 1m7yA1 GLU 73 HA 0.02 0.17 0.91 -0.75 4.29 4.64 1m7yA1 GLU 73 HB2 0.02 0.08 0.05 -0.04 2.09 2.20 1m7yA1 GLU 73 HB3 0.02 -0.00 0.02 -0.04 1.99 1.99 1m7yA1 GLU 73 HG2 0.02 0.20 -0.11 -0.04 2.34 2.41 1m7yA1 GLU 73 HG3 0.02 -0.05 -0.01 -0.04 2.34 2.26 1m7yA1 SER 74 H 0.03 0.15 0.18 -0.55 8.46 8.28 1m7yA1 SER 74 HA 0.08 0.32 0.76 -0.75 4.49 4.89 1m7yA1 SER 74 HB2 0.05 0.08 0.15 -0.04 3.95 4.18 1m7yA1 SER 74 HB3 0.04 -0.02 0.21 -0.04 3.93 4.12 1m7yA1 ILE 75 H 0.09 0.65 0.24 -0.55 8.25 8.69 1m7yA1 ILE 75 HA 0.01 0.18 0.87 -0.75 4.18 4.49 1m7yA1 ILE 75 HB -0.07 -0.09 0.14 -0.04 1.89 1.83 1m7yA1 ILE 75 HG12 -0.05 0.08 -0.30 -0.04 1.49 1.19 1m7yA1 ILE 75 HG13 -0.10 -0.01 -0.25 -0.04 1.21 0.81 1m7yA1 ILE 75 HG23 -0.01 0.04 -0.22 -0.04 0.93 0.70 1m7yA1 ILE 75 HD13 -0.46 0.00 -0.14 -0.04 0.88 0.24 1m7yA1 PHE 76 H 0.16 0.22 0.04 -0.55 8.34 8.20 1m7yA1 PHE 76 HA -0.20 0.09 0.43 -0.75 4.62 4.19 1m7yA1 PHE 76 HB2 -0.29 0.12 0.17 -0.04 3.15 3.11 1m7yA1 PHE 76 HB3 -0.17 -0.05 0.13 -0.04 3.06 2.94 1m7yA1 PHE 76 HD2 -1.28 -0.01 -0.06 -0.04 7.28 5.89 1m7yA1 PHE 76 HE2 -0.40 0.02 -0.03 -0.04 7.38 6.94 1m7yA1 PHE 76 HZ -0.19 0.03 -0.02 -0.04 7.32 7.11 1m7yA1 ALA 77 H 0.08 0.14 -0.11 -0.55 8.40 7.96 1m7yA1 ALA 77 HA -0.17 0.10 0.38 -0.75 4.34 3.90 1m7yA1 ALA 77 HB3 0.02 0.03 0.03 -0.04 1.41 1.45 1m7yA1 GLU 78 H -0.05 0.06 -0.31 -0.55 8.60 7.76 1m7yA1 GLU 78 HA -0.02 0.07 0.36 -0.75 4.29 3.95 1m7yA1 GLU 78 HB2 -0.04 0.10 0.10 -0.04 2.09 2.20 1m7yA1 GLU 78 HB3 -0.01 0.00 -0.00 -0.04 1.99 1.93 1m7yA1 GLU 78 HG2 -0.00 0.03 0.02 -0.04 2.34 2.34 1m7yA1 GLU 78 HG3 -0.01 0.00 0.01 -0.04 2.34 2.30 1m7yA1 LEU 79 H -0.12 0.55 -0.13 -0.55 8.37 8.12 1m7yA1 LEU 79 HA -0.00 0.02 0.52 -0.75 4.35 4.14 1m7yA1 LEU 79 HB2 -0.09 0.10 0.14 -0.04 1.64 1.75 1m7yA1 LEU 79 HB3 -0.00 -0.08 -0.09 -0.04 1.64 1.43 1m7yA1 LEU 79 HG -0.15 0.04 0.01 -0.04 1.64 1.51 1m7yA1 LEU 79 HD13 -0.17 -0.02 -0.06 -0.04 0.93 0.65 1m7yA1 LEU 79 HD23 -0.12 0.01 -0.01 -0.04 0.89 0.73 1m7yA1 ALA 80 H -0.40 0.67 -0.03 -0.55 8.40 8.09 1m7yA1 ALA 80 HA -0.26 -0.04 0.39 -0.75 4.34 3.68 1m7yA1 ALA 80 HB3 -0.57 0.01 0.09 -0.04 1.41 0.90 1m7yA1 LEU 81 H -0.10 0.35 -0.42 -0.55 8.37 7.65 1m7yA1 LEU 81 HA -0.06 0.13 0.66 -0.75 4.35 4.32 1m7yA1 LEU 81 HB2 -0.02 0.07 0.07 -0.04 1.64 1.72 1m7yA1 LEU 81 HB3 -0.04 -0.08 0.10 -0.04 1.64 1.58 1m7yA1 LEU 81 HG -0.07 0.06 -0.01 -0.04 1.64 1.57 1m7yA1 LEU 81 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.79 1m7yA1 LEU 81 HD23 -0.05 0.00 -0.03 -0.04 0.89 0.78 1m7yA1 PHE 82 H 0.09 0.31 -0.32 -0.55 8.34 7.88 1m7yA1 PHE 82 HA -0.04 -0.02 0.60 -0.75 4.62 4.41 1m7yA1 PHE 82 HB2 -0.04 0.12 0.18 -0.04 3.15 3.37 1m7yA1 PHE 82 HB3 -0.03 0.01 0.28 -0.04 3.06 3.28 1m7yA1 PHE 82 HD2 0.00 0.04 -0.04 -0.04 7.28 7.25 1m7yA1 PHE 82 HE2 0.05 -0.03 -0.13 -0.04 7.38 7.23 1m7yA1 PHE 82 HZ 0.07 0.27 -0.34 -0.04 7.32 7.28 1m7yA1 GLN 83 H -0.46 0.14 0.25 -0.55 8.47 7.86 1m7yA1 GLN 83 HA -0.17 0.19 0.80 -0.75 4.36 4.42 1m7yA1 GLN 83 HB2 -0.14 -0.00 0.14 -0.04 2.15 2.10 1m7yA1 GLN 83 HB3 -0.12 0.07 -0.16 -0.04 2.02 1.77 1m7yA1 GLN 83 HG2 -0.19 0.17 0.06 -0.04 2.40 2.40 1m7yA1 GLN 83 HG3 -0.22 -0.07 -0.12 -0.04 2.39 1.94 1m7yA1 GLN 83 HE21 -0.08 -0.04 0.01 -0.04 6.97 6.82 1m7yA1 GLN 83 HE22 -0.10 0.09 0.04 -0.04 7.69 7.67 1m7yA1 ASP 84 H -1.16 0.03 0.04 -0.55 8.40 6.76 1m7yA1 ASP 84 HA -0.35 0.09 0.47 -0.75 4.63 4.08 1m7yA1 ASP 84 HB2 -0.59 0.02 0.14 -0.04 2.71 2.24 1m7yA1 ASP 84 HB3 -0.41 -0.01 0.06 -0.04 2.70 2.30 1m7yA1 TYR 85 H -0.37 0.17 0.20 -0.55 8.29 7.75 1m7yA1 TYR 85 HA -0.09 0.15 0.46 -0.75 4.56 4.32 1m7yA1 TYR 85 HB2 -0.17 0.19 0.18 -0.04 3.06 3.22 1m7yA1 TYR 85 HB3 -0.16 0.03 0.10 -0.04 2.98 2.91 1m7yA1 TYR 85 HD2 -0.35 0.00 -0.06 -0.04 7.15 6.70 1m7yA1 TYR 85 HE2 -0.20 -0.01 -0.01 -0.04 6.85 6.60 1m7yA1 HIS 86 H 0.25 -0.03 -0.51 -0.55 8.41 7.58 1m7yA1 HIS 86 HA 0.09 0.20 0.68 -0.75 4.63 4.85 1m7yA1 HIS 86 HB2 0.14 -0.04 0.00 -0.04 3.26 3.32 1m7yA1 HIS 86 HB3 0.11 0.03 0.08 -0.04 3.20 3.37 1m7yA1 HIS 86 HD2 0.02 0.08 0.02 -0.04 6.97 7.05 1m7yA1 HIS 86 HE1 0.24 -0.01 -0.02 -0.04 7.75 7.93 1m7yA1 GLY 87 H 0.22 0.33 -0.28 -0.55 8.43 8.16 1m7yA1 GLY 87 HA2 0.33 0.04 0.28 -0.51 4.01 4.15 1m7yA1 GLY 87 HA3 0.24 0.11 0.43 -0.51 4.01 4.28 1m7yA1 LEU 88 H 0.29 0.11 0.08 -0.55 8.37 8.30 1m7yA1 LEU 88 HA -0.29 0.17 0.48 -0.75 4.35 3.95 1m7yA1 LEU 88 HB2 -0.16 0.09 0.11 -0.04 1.64 1.63 1m7yA1 LEU 88 HB3 0.09 -0.12 0.12 -0.04 1.64 1.69 1m7yA1 LEU 88 HG -0.14 -0.17 -0.08 -0.04 1.64 1.21 1m7yA1 LEU 88 HD13 -0.88 0.04 0.02 -0.04 0.93 0.07 1m7yA1 LEU 88 HD23 -0.06 0.03 -0.11 -0.04 0.89 0.70 1m7yA1 PRO 89 HA 0.08 0.13 0.34 -0.51 4.44 4.47 1m7yA1 PRO 89 HB2 0.03 -0.05 0.10 -0.04 2.28 2.31 1m7yA1 PRO 89 HB3 0.05 0.06 0.06 -0.04 2.02 2.15 1m7yA1 PRO 89 HG2 0.06 0.04 0.09 -0.04 2.03 2.17 1m7yA1 PRO 89 HG3 0.10 0.13 0.09 -0.04 2.03 2.30 1m7yA1 PRO 89 HD2 -0.10 0.03 0.20 -0.04 3.68 3.77 1m7yA1 PRO 89 HD3 0.14 0.32 0.31 -0.04 3.65 4.38 1m7yA1 ALA 90 H 0.02 0.14 -0.16 -0.55 8.40 7.85 1m7yA1 ALA 90 HA 0.05 0.09 0.38 -0.75 4.34 4.11 1m7yA1 ALA 90 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 1m7yA1 PHE 91 H 0.18 0.18 -0.31 -0.55 8.34 7.83 1m7yA1 PHE 91 HA -0.02 0.07 0.50 -0.75 4.62 4.42 1m7yA1 PHE 91 HB2 -0.02 0.04 0.04 -0.04 3.15 3.17 1m7yA1 PHE 91 HB3 0.01 0.08 0.09 -0.04 3.06 3.20 1m7yA1 PHE 91 HD2 -0.00 -0.01 -0.07 -0.04 7.28 7.15 1m7yA1 PHE 91 HE2 -0.02 0.01 -0.13 -0.04 7.38 7.20 1m7yA1 PHE 91 HZ -0.01 -0.05 -0.11 -0.04 7.32 7.12 1m7yA1 LYS 92 H 0.09 0.57 -0.09 -0.55 8.42 8.43 1m7yA1 LYS 92 HA -0.16 0.00 0.35 -0.75 4.32 3.76 1m7yA1 LYS 92 HB2 0.06 0.07 0.05 -0.04 1.87 2.01 1m7yA1 LYS 92 HB3 0.05 0.03 0.02 -0.04 1.79 1.85 1m7yA1 LYS 92 HG2 0.11 0.02 -0.17 -0.04 1.46 1.38 1m7yA1 LYS 92 HG3 0.12 0.13 -0.19 -0.04 1.46 1.48 1m7yA1 LYS 92 HD2 0.01 -0.16 -0.08 -0.04 1.69 1.41 1m7yA1 LYS 92 HD3 0.12 -0.02 -0.02 -0.04 1.68 1.72 1m7yA1 LYS 92 HE2 0.07 -0.14 0.03 -0.04 2.99 2.91 1m7yA1 LYS 92 HE3 0.07 -0.01 -0.16 -0.04 2.99 2.85 1m7yA1 LYS 93 H 0.03 0.51 -0.23 -0.55 8.42 8.18 1m7yA1 LYS 93 HA 0.04 0.02 0.45 -0.75 4.32 4.07 1m7yA1 LYS 93 HB2 0.05 0.00 0.08 -0.04 1.87 1.96 1m7yA1 LYS 93 HB3 0.04 0.10 0.13 -0.04 1.79 2.02 1m7yA1 LYS 93 HG2 0.04 -0.01 -0.02 -0.04 1.46 1.43 1m7yA1 LYS 93 HG3 0.04 0.02 -0.23 -0.04 1.46 1.25 1m7yA1 LYS 93 HD2 0.05 -0.06 0.11 -0.04 1.69 1.75 1m7yA1 LYS 93 HD3 0.05 -0.00 0.04 -0.04 1.68 1.72 1m7yA1 LYS 93 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 1m7yA1 LYS 93 HE3 0.04 0.01 -0.02 -0.04 2.99 2.97 1m7yA1 ALA 94 H 0.02 0.46 -0.15 -0.55 8.40 8.18 1m7yA1 ALA 94 HA 0.02 0.05 0.37 -0.75 4.34 4.03 1m7yA1 ALA 94 HB3 0.04 0.01 0.05 -0.04 1.41 1.47 1m7yA1 MET 95 H -0.19 0.62 -0.27 -0.55 8.47 8.09 1m7yA1 MET 95 HA -0.02 -0.01 0.39 -0.75 4.52 4.12 1m7yA1 MET 95 HB2 -0.26 0.17 0.11 -0.04 2.15 2.13 1m7yA1 MET 95 HB3 -0.12 -0.08 -0.13 -0.04 2.03 1.65 1m7yA1 MET 95 HG2 -1.05 0.11 -0.05 -0.04 2.63 1.59 1m7yA1 MET 95 HG3 -0.86 -0.02 -0.13 -0.04 2.56 1.50 1m7yA1 MET 95 HE3 0.01 -0.01 -0.25 -0.04 2.10 1.81 1m7yA1 VAL 96 H -0.03 0.65 -0.05 -0.55 8.24 8.26 1m7yA1 VAL 96 HA -0.11 -0.02 0.34 -0.75 4.13 3.58 1m7yA1 VAL 96 HB 0.14 -0.01 0.02 -0.04 2.12 2.23 1m7yA1 VAL 96 HG13 0.10 0.02 -0.19 -0.04 0.97 0.85 1m7yA1 VAL 96 HG23 0.07 0.04 0.08 -0.04 0.95 1.09 1m7yA1 ASP 97 H 0.04 0.51 -0.35 -0.55 8.40 8.05 1m7yA1 ASP 97 HA 0.06 0.01 0.48 -0.75 4.63 4.43 1m7yA1 ASP 97 HB2 0.06 0.17 0.16 -0.04 2.71 3.06 1m7yA1 ASP 97 HB3 0.07 -0.05 0.02 -0.04 2.70 2.69 1m7yA1 PHE 98 H 0.15 0.54 -0.15 -0.55 8.34 8.33 1m7yA1 PHE 98 HA -0.03 0.02 0.45 -0.75 4.62 4.30 1m7yA1 PHE 98 HB2 -0.04 0.17 0.15 -0.04 3.15 3.39 1m7yA1 PHE 98 HB3 -0.05 0.05 0.13 -0.04 3.06 3.15 1m7yA1 PHE 98 HD2 0.03 0.01 -0.02 -0.04 7.28 7.26 1m7yA1 PHE 98 HE2 0.03 -0.03 -0.01 -0.04 7.38 7.32 1m7yA1 PHE 98 HZ -0.04 -0.00 -0.04 -0.04 7.32 7.20 1m7yA1 MET 99 H -0.08 0.63 -0.17 -0.55 8.47 8.31 1m7yA1 MET 99 HA -0.48 -0.02 0.36 -0.75 4.52 3.63 1m7yA1 MET 99 HB2 -0.49 0.12 0.05 -0.04 2.15 1.79 1m7yA1 MET 99 HB3 -0.87 -0.06 -0.09 -0.04 2.03 0.97 1m7yA1 MET 99 HG2 -0.92 -0.09 -0.08 -0.04 2.63 1.50 1m7yA1 MET 99 HG3 -0.31 0.10 -0.04 -0.04 2.56 2.27 1m7yA1 MET 99 HE3 -0.76 -0.01 -0.20 -0.04 2.10 1.08 1m7yA1 ALA 100 H 0.03 0.45 -0.34 -0.55 8.40 7.99 1m7yA1 ALA 100 HA 0.15 0.09 0.46 -0.75 4.34 4.28 1m7yA1 ALA 100 HB3 0.07 0.03 0.17 -0.04 1.41 1.63 1m7yA1 GLU 101 H -0.02 0.59 -0.09 -0.55 8.60 8.54 1m7yA1 GLU 101 HA -0.01 -0.02 0.34 -0.75 4.29 3.85 1m7yA1 GLU 101 HB2 0.03 0.05 0.11 -0.04 2.09 2.24 1m7yA1 GLU 101 HB3 -0.07 0.09 0.16 -0.04 1.99 2.14 1m7yA1 GLU 101 HG2 -0.04 0.02 -0.23 -0.04 2.34 2.05 1m7yA1 GLU 101 HG3 0.01 -0.03 0.01 -0.04 2.34 2.29 1m7yA1 ILE 102 H -0.27 0.58 -0.18 -0.55 8.25 7.82 1m7yA1 ILE 102 HA -0.16 0.03 0.41 -0.75 4.18 3.71 1m7yA1 ILE 102 HB -0.29 0.12 0.07 -0.04 1.89 1.75 1m7yA1 ILE 102 HG12 -0.48 -0.03 0.04 -0.04 1.49 0.98 1m7yA1 ILE 102 HG13 -0.90 0.22 0.08 -0.04 1.21 0.57 1m7yA1 ILE 102 HG23 -0.16 -0.04 -0.25 -0.04 0.93 0.44 1m7yA1 ILE 102 HD13 -0.63 -0.06 -0.08 -0.04 0.88 0.07 1m7yA1 ARG 103 H -0.02 0.33 -0.56 -0.55 8.46 7.66 1m7yA1 ARG 103 HA 0.12 0.14 0.64 -0.75 4.34 4.49 1m7yA1 ARG 103 HB2 0.06 0.13 0.17 -0.04 1.90 2.23 1m7yA1 ARG 103 HB3 0.02 -0.13 0.17 -0.04 1.80 1.83 1m7yA1 ARG 103 HG2 0.26 -0.09 -0.05 -0.04 1.67 1.75 1m7yA1 ARG 103 HG3 0.12 0.06 -0.08 -0.04 1.67 1.73 1m7yA1 ARG 103 HD2 0.34 0.14 -0.11 -0.04 3.22 3.56 1m7yA1 ARG 103 HD3 0.12 -0.12 -0.07 -0.04 3.22 3.10 1m7yA1 GLY 104 H 0.01 0.58 -0.49 -0.55 8.43 7.98 1m7yA1 GLY 104 HA2 0.01 0.06 0.32 -0.51 4.01 3.89 1m7yA1 GLY 104 HA3 0.01 0.01 0.38 -0.51 4.01 3.90 1m7yA1 ASN 105 H 0.00 0.61 -0.30 -0.55 8.53 8.30 1m7yA1 ASN 105 HA -0.00 0.02 0.16 -0.75 4.76 4.18 1m7yA1 ASN 105 HB2 -0.00 0.19 -0.12 -0.04 2.88 2.91 1m7yA1 ASN 105 HB3 -0.01 -0.05 0.13 -0.04 2.79 2.82 1m7yA1 ASN 105 HD21 0.02 -0.03 -0.08 -0.04 7.03 6.89 1m7yA1 ASN 105 HD22 0.01 0.04 -0.14 -0.04 7.74 7.61 1m7yA1 LYS 106 H -0.02 0.47 -0.40 -0.55 8.42 7.92 1m7yA1 LYS 106 HA -0.04 0.09 0.50 -0.75 4.32 4.12 1m7yA1 LYS 106 HB2 -0.05 0.10 0.10 -0.04 1.87 1.98 1m7yA1 LYS 106 HB3 -0.06 -0.10 0.09 -0.04 1.79 1.67 1m7yA1 LYS 106 HG2 -0.03 -0.05 0.02 -0.04 1.46 1.36 1m7yA1 LYS 106 HG3 -0.02 0.16 -0.03 -0.04 1.46 1.54 1m7yA1 LYS 106 HD2 -0.05 -0.09 0.02 -0.04 1.69 1.53 1m7yA1 LYS 106 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 1m7yA1 LYS 106 HE2 -0.01 0.07 -0.06 -0.04 2.99 2.95 1m7yA1 LYS 106 HE3 -0.04 -0.02 0.04 -0.04 2.99 2.93 1m7yA1 VAL 107 H -0.07 0.17 -0.24 -0.55 8.24 7.54 1m7yA1 VAL 107 HA -0.17 0.18 0.66 -0.75 4.13 4.04 1m7yA1 VAL 107 HB -0.44 0.06 -0.11 -0.04 2.12 1.59 1m7yA1 VAL 107 HG13 -0.15 -0.03 -0.41 -0.04 0.97 0.34 1m7yA1 VAL 107 HG23 -0.14 -0.04 -0.18 -0.04 0.95 0.55 1m7yA1 THR 108 H -0.28 0.22 0.09 -0.55 8.28 7.76 1m7yA1 THR 108 HA -0.10 0.18 0.86 -0.75 4.39 4.57 1m7yA1 THR 108 HB -0.11 -0.01 -0.04 -0.04 4.32 4.12 1m7yA1 THR 108 HG23 -0.00 0.01 -0.09 -0.04 1.22 1.10 1m7yA1 PHE 109 H 0.11 0.24 0.08 -0.55 8.34 8.21 1m7yA1 PHE 109 HA -0.15 0.19 0.88 -0.75 4.62 4.79 1m7yA1 PHE 109 HB2 -0.15 -0.02 -0.01 -0.04 3.15 2.93 1m7yA1 PHE 109 HB3 -0.44 0.05 -0.16 -0.04 3.06 2.47 1m7yA1 PHE 109 HD2 -1.18 0.06 -0.17 -0.04 7.28 5.95 1m7yA1 PHE 109 HE2 -0.24 0.04 -0.31 -0.04 7.38 6.84 1m7yA1 PHE 109 HZ -0.15 -0.07 -0.18 -0.04 7.32 6.88 1m7yA1 ASP 110 H 0.44 0.20 0.05 -0.55 8.40 8.55 1m7yA1 ASP 110 HA 0.17 0.16 0.56 -0.75 4.63 4.77 1m7yA1 ASP 110 HB2 0.12 0.08 0.07 -0.04 2.71 2.93 1m7yA1 ASP 110 HB3 0.25 0.01 0.14 -0.04 2.70 3.05 1m7yA1 PRO 111 HA 0.18 0.09 0.37 -0.51 4.44 4.57 1m7yA1 PRO 111 HB2 0.09 0.05 -0.08 -0.04 2.28 2.31 1m7yA1 PRO 111 HB3 0.09 0.06 -0.11 -0.04 2.02 2.02 1m7yA1 PRO 111 HG2 0.10 0.00 0.05 -0.04 2.03 2.15 1m7yA1 PRO 111 HG3 0.08 0.05 0.04 -0.04 2.03 2.17 1m7yA1 PRO 111 HD2 0.13 0.06 0.26 -0.04 3.68 4.08 1m7yA1 PRO 111 HD3 0.12 0.26 0.22 -0.04 3.65 4.21 1m7yA1 ASN 112 H 0.17 0.07 -0.32 -0.55 8.53 7.90 1m7yA1 ASN 112 HA 0.09 0.16 0.48 -0.75 4.76 4.74 1m7yA1 ASN 112 HB2 0.18 -0.04 -0.01 -0.04 2.88 2.98 1m7yA1 ASN 112 HB3 0.04 0.04 0.06 -0.04 2.79 2.90 1m7yA1 ASN 112 HD21 0.06 0.00 -0.00 -0.04 7.03 7.05 1m7yA1 ASN 112 HD22 0.10 0.00 -0.00 -0.04 7.74 7.80 1m7yA1 HIS 113 H 0.28 0.44 -0.47 -0.55 8.41 8.11 1m7yA1 HIS 113 HA -0.08 0.17 0.78 -0.75 4.63 4.75 1m7yA1 HIS 113 HB2 -0.05 -0.01 0.10 -0.04 3.26 3.26 1m7yA1 HIS 113 HB3 -0.65 0.07 0.21 -0.04 3.20 2.79 1m7yA1 HIS 113 HD2 0.06 -0.15 -0.18 -0.04 6.97 6.65 1m7yA1 HIS 113 HE1 0.03 0.05 -0.13 -0.04 7.75 7.66 1m7yA1 LEU 114 H 0.14 0.36 -0.28 -0.55 8.37 8.05 1m7yA1 LEU 114 HA 0.18 0.24 0.93 -0.75 4.35 4.94 1m7yA1 LEU 114 HB2 0.31 -0.08 -0.05 -0.04 1.64 1.78 1m7yA1 LEU 114 HB3 0.13 0.11 0.11 -0.04 1.64 1.94 1m7yA1 LEU 114 HG 0.08 0.01 -0.23 -0.04 1.64 1.45 1m7yA1 LEU 114 HD13 0.16 0.01 -0.19 -0.04 0.93 0.87 1m7yA1 LEU 114 HD23 -0.01 -0.03 -0.12 -0.04 0.89 0.68 1m7yA1 VAL 115 H 0.04 0.58 0.29 -0.55 8.24 8.61 1m7yA1 VAL 115 HA 0.00 0.23 0.91 -0.75 4.13 4.52 1m7yA1 VAL 115 HB -0.10 -0.14 0.04 -0.04 2.12 1.89 1m7yA1 VAL 115 HG13 -0.10 0.05 -0.28 -0.04 0.97 0.59 1m7yA1 VAL 115 HG23 -0.11 0.03 -0.28 -0.04 0.95 0.56 1m7yA1 LEU 116 H 0.05 0.21 0.06 -0.55 8.37 8.13 1m7yA1 LEU 116 HA 0.05 0.17 0.76 -0.75 4.35 4.57 1m7yA1 LEU 116 HB2 0.12 0.01 0.06 -0.04 1.64 1.78 1m7yA1 LEU 116 HB3 0.15 -0.01 0.08 -0.04 1.64 1.82 1m7yA1 LEU 116 HG 0.08 0.08 -0.06 -0.04 1.64 1.70 1m7yA1 LEU 116 HD13 0.30 -0.03 -0.03 -0.04 0.93 1.12 1m7yA1 LEU 116 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.71 1m7yA1 THR 117 H 0.06 0.47 0.23 -0.55 8.28 8.49 1m7yA1 THR 117 HA 0.05 0.39 0.77 -0.75 4.39 4.84 1m7yA1 THR 117 HB 0.05 0.01 -0.13 -0.04 4.32 4.20 1m7yA1 THR 117 HG23 -0.01 0.05 -0.46 -0.04 1.22 0.76 1m7yA1 ALA 118 H 0.07 0.39 0.14 -0.55 8.40 8.46 1m7yA1 ALA 118 HA 0.08 0.33 0.55 -0.75 4.34 4.55 1m7yA1 ALA 118 HB3 0.08 0.02 0.11 -0.04 1.41 1.58 1m7yA1 GLY 119 H 0.06 0.35 -0.12 -0.55 8.43 8.18 1m7yA1 GLY 119 HA2 0.02 -0.03 0.02 -0.51 4.01 3.51 1m7yA1 GLY 119 HA3 0.06 0.15 0.47 -0.51 4.01 4.18 1m7yA1 ALA 120 H 0.00 0.13 0.11 -0.55 8.40 8.10 1m7yA1 ALA 120 HA 0.07 0.13 0.48 -0.75 4.34 4.27 1m7yA1 ALA 120 HB3 0.02 0.03 -0.02 -0.04 1.41 1.39 1m7yA1 THR 121 H 0.09 0.05 -0.24 -0.55 8.28 7.64 1m7yA1 THR 121 HA 0.20 0.05 0.33 -0.75 4.39 4.21 1m7yA1 THR 121 HB 0.13 0.09 0.04 -0.04 4.32 4.54 1m7yA1 THR 121 HG23 0.19 0.03 -0.12 -0.04 1.22 1.27 1m7yA1 SER 122 H 0.11 0.21 -0.43 -0.55 8.46 7.80 1m7yA1 SER 122 HA 0.12 0.11 0.38 -0.75 4.49 4.35 1m7yA1 SER 122 HB2 0.10 0.13 0.03 -0.04 3.95 4.16 1m7yA1 SER 122 HB3 0.08 0.01 -0.22 -0.04 3.93 3.77 1m7yA1 ALA 123 H 0.09 0.27 -0.27 -0.55 8.40 7.95 1m7yA1 ALA 123 HA 0.02 0.11 0.24 -0.75 4.34 3.94 1m7yA1 ALA 123 HB3 0.10 -0.02 -0.03 -0.04 1.41 1.41 1m7yA1 ASN 124 H 0.15 0.68 -0.17 -0.55 8.53 8.65 1m7yA1 ASN 124 HA 0.22 0.01 0.33 -0.75 4.76 4.57 1m7yA1 ASN 124 HB2 0.21 0.10 0.04 -0.04 2.88 3.18 1m7yA1 ASN 124 HB3 0.10 0.02 -0.14 -0.04 2.79 2.72 1m7yA1 ASN 124 HD21 0.33 -0.12 -0.08 -0.04 7.03 7.12 1m7yA1 ASN 124 HD22 0.38 0.01 -0.12 -0.04 7.74 7.97 1m7yA1 GLU 125 H 0.12 0.35 -0.29 -0.55 8.60 8.24 1m7yA1 GLU 125 HA -0.01 0.12 0.36 -0.75 4.29 4.00 1m7yA1 GLU 125 HB2 0.11 0.02 0.14 -0.04 2.09 2.32 1m7yA1 GLU 125 HB3 0.14 0.03 0.08 -0.04 1.99 2.20 1m7yA1 GLU 125 HG2 -0.00 -0.04 -0.18 -0.04 2.34 2.08 1m7yA1 GLU 125 HG3 -0.10 0.12 0.06 -0.04 2.34 2.38 1m7yA1 THR 126 H 0.11 0.54 -0.24 -0.55 8.28 8.14 1m7yA1 THR 126 HA 0.26 0.04 0.35 -0.75 4.39 4.28 1m7yA1 THR 126 HB -0.03 0.06 0.07 -0.04 4.32 4.38 1m7yA1 THR 126 HG23 -0.11 -0.00 -0.17 -0.04 1.22 0.90 1m7yA1 PHE 127 H 0.11 0.49 -0.25 -0.55 8.34 8.13 1m7yA1 PHE 127 HA -0.08 -0.00 0.30 -0.75 4.62 4.09 1m7yA1 PHE 127 HB2 -0.04 0.09 0.10 -0.04 3.15 3.27 1m7yA1 PHE 127 HB3 -0.10 -0.01 -0.14 -0.04 3.06 2.77 1m7yA1 PHE 127 HD2 -0.13 0.00 -0.11 -0.04 7.28 7.01 1m7yA1 PHE 127 HE2 -0.18 0.02 -0.11 -0.04 7.38 7.07 1m7yA1 PHE 127 HZ 0.08 0.07 -0.10 -0.04 7.32 7.33 1m7yA1 ILE 128 H 0.06 0.46 -0.26 -0.55 8.25 7.96 1m7yA1 ILE 128 HA -0.05 -0.03 0.33 -0.75 4.18 3.67 1m7yA1 ILE 128 HB -0.19 0.14 0.14 -0.04 1.89 1.94 1m7yA1 ILE 128 HG12 -0.04 0.22 0.03 -0.04 1.49 1.65 1m7yA1 ILE 128 HG13 -0.11 -0.04 -0.01 -0.04 1.21 1.01 1m7yA1 ILE 128 HG23 -0.17 0.07 -0.13 -0.04 0.93 0.66 1m7yA1 ILE 128 HD13 -0.12 -0.04 -0.14 -0.04 0.88 0.55 1m7yA1 PHE 129 H 0.04 0.52 -0.12 -0.55 8.34 8.23 1m7yA1 PHE 129 HA -0.03 0.10 0.38 -0.75 4.62 4.31 1m7yA1 PHE 129 HB2 -0.04 0.05 0.14 -0.04 3.15 3.27 1m7yA1 PHE 129 HB3 -0.04 -0.05 -0.06 -0.04 3.06 2.87 1m7yA1 PHE 129 HD2 -0.04 0.02 -0.08 -0.04 7.28 7.14 1m7yA1 PHE 129 HE2 -0.08 0.01 -0.06 -0.04 7.38 7.20 1m7yA1 PHE 129 HZ -0.13 -0.02 -0.21 -0.04 7.32 6.92 1m7yA1 CYS 130 H 0.08 0.40 -0.38 -0.55 8.50 8.05 1m7yA1 CYS 130 HA 0.01 0.05 0.48 -0.75 4.58 4.36 1m7yA1 CYS 130 HB2 -0.01 0.08 0.09 -0.04 2.97 3.09 1m7yA1 CYS 130 HB3 -0.06 -0.12 -0.01 -0.04 2.97 2.74 1m7yA1 LEU 131 H -0.02 0.38 -0.14 -0.55 8.37 8.04 1m7yA1 LEU 131 HA -0.12 0.17 0.97 -0.75 4.35 4.61 1m7yA1 LEU 131 HB2 -0.14 0.01 -0.02 -0.04 1.64 1.45 1m7yA1 LEU 131 HB3 -0.30 -0.03 0.06 -0.04 1.64 1.32 1m7yA1 LEU 131 HG -0.12 0.07 -0.11 -0.04 1.64 1.43 1m7yA1 LEU 131 HD13 -0.46 -0.04 -0.12 -0.04 0.93 0.27 1m7yA1 LEU 131 HD23 -0.66 0.01 -0.10 -0.04 0.89 0.10 1m7yA1 ALA 132 H -0.03 0.66 0.02 -0.55 8.40 8.51 1m7yA1 ALA 132 HA -0.02 0.10 0.89 -0.75 4.34 4.56 1m7yA1 ALA 132 HB3 -0.05 -0.01 -0.12 -0.04 1.41 1.19 1m7yA1 ASP 133 H -0.01 0.07 0.11 -0.55 8.40 8.02 1m7yA1 ASP 133 HA 0.01 0.22 0.77 -0.75 4.63 4.88 1m7yA1 ASP 133 HB2 -0.00 -0.05 0.05 -0.04 2.71 2.66 1m7yA1 ASP 133 HB3 0.00 0.07 0.09 -0.04 2.70 2.82 1m7yA1 PRO 134 HA -0.02 0.11 0.32 -0.51 4.44 4.34 1m7yA1 PRO 134 HB2 -0.00 -0.07 0.10 -0.04 2.28 2.27 1m7yA1 PRO 134 HB3 -0.00 -0.01 0.13 -0.04 2.02 2.09 1m7yA1 PRO 134 HG2 0.02 -0.07 0.09 -0.04 2.03 2.04 1m7yA1 PRO 134 HG3 0.02 0.30 0.11 -0.04 2.03 2.43 1m7yA1 PRO 134 HD2 0.01 0.01 0.22 -0.04 3.68 3.88 1m7yA1 PRO 134 HD3 0.03 0.17 0.25 -0.04 3.65 4.07 1m7yA1 GLY 135 H -0.02 0.76 0.33 -0.55 8.43 8.95 1m7yA1 GLY 135 HA2 -0.02 -0.03 0.44 -0.51 4.01 3.89 1m7yA1 GLY 135 HA3 -0.01 0.08 0.74 -0.51 4.01 4.31 1m7yA1 GLU 136 H -0.03 0.45 -0.13 -0.55 8.60 8.35 1m7yA1 GLU 136 HA -0.03 0.02 0.86 -0.75 4.29 4.38 1m7yA1 GLU 136 HB2 -0.03 0.01 0.11 -0.04 2.09 2.14 1m7yA1 GLU 136 HB3 -0.03 0.11 0.26 -0.04 1.99 2.29 1m7yA1 GLU 136 HG2 -0.02 -0.03 -0.05 -0.04 2.34 2.20 1m7yA1 GLU 136 HG3 -0.02 0.14 -0.15 -0.04 2.34 2.27 1m7yA1 ALA 137 H -0.04 0.63 0.35 -0.55 8.40 8.79 1m7yA1 ALA 137 HA -0.06 0.22 0.94 -0.75 4.34 4.69 1m7yA1 ALA 137 HB3 -0.06 -0.01 -0.25 -0.04 1.41 1.06 1m7yA1 VAL 138 H -0.08 0.64 0.34 -0.55 8.24 8.59 1m7yA1 VAL 138 HA -0.04 0.13 0.93 -0.75 4.13 4.40 1m7yA1 VAL 138 HB -0.09 0.03 -0.15 -0.04 2.12 1.86 1m7yA1 VAL 138 HG13 -0.16 0.02 -0.12 -0.04 0.97 0.67 1m7yA1 VAL 138 HG23 -0.12 0.00 -0.27 -0.04 0.95 0.52 1m7yA1 LEU 139 H -0.02 0.65 0.46 -0.55 8.37 8.92 1m7yA1 LEU 139 HA -0.07 0.36 0.95 -0.75 4.35 4.83 1m7yA1 LEU 139 HB2 0.04 -0.10 0.11 -0.04 1.64 1.66 1m7yA1 LEU 139 HB3 -0.01 -0.01 -0.03 -0.04 1.64 1.54 1m7yA1 LEU 139 HG 0.09 0.04 -0.04 -0.04 1.64 1.69 1m7yA1 LEU 139 HD13 0.31 -0.02 -0.10 -0.04 0.93 1.08 1m7yA1 LEU 139 HD23 0.01 0.01 -0.25 -0.04 0.89 0.62 1m7yA1 ILE 140 H -0.11 0.53 0.23 -0.55 8.25 8.34 1m7yA1 ILE 140 HA -0.13 0.29 1.00 -0.75 4.18 4.59 1m7yA1 ILE 140 HB -0.42 -0.06 -0.06 -0.04 1.89 1.31 1m7yA1 ILE 140 HG12 -0.33 0.08 -0.15 -0.04 1.49 1.05 1m7yA1 ILE 140 HG13 -0.26 -0.05 -0.69 -0.04 1.21 0.17 1m7yA1 ILE 140 HG23 -0.32 0.09 -0.08 -0.04 0.93 0.58 1m7yA1 ILE 140 HD13 -0.57 -0.02 -0.17 -0.04 0.88 0.08 1m7yA1 PRO 141 HA 0.00 0.21 0.59 -0.51 4.44 4.73 1m7yA1 PRO 141 HB2 0.01 0.01 0.05 -0.04 2.28 2.32 1m7yA1 PRO 141 HB3 -0.00 0.03 0.05 -0.04 2.02 2.06 1m7yA1 PRO 141 HG2 -0.01 -0.06 0.07 -0.04 2.03 1.98 1m7yA1 PRO 141 HG3 -0.04 -0.01 0.02 -0.04 2.03 1.96 1m7yA1 PRO 141 HD2 -0.02 0.12 0.32 -0.04 3.68 4.06 1m7yA1 PRO 141 HD3 -0.06 0.17 0.14 -0.04 3.65 3.87 1m7yA1 THR 142 H 0.08 0.44 0.28 -0.55 8.28 8.53 1m7yA1 THR 142 HA 0.14 0.13 0.65 -0.75 4.39 4.56 1m7yA1 THR 142 HB 0.09 0.20 0.04 -0.04 4.32 4.61 1m7yA1 THR 142 HG23 0.18 -0.01 -0.06 -0.04 1.22 1.29 1m7yA1 PRO 143 HA -0.14 0.28 0.32 -0.51 4.44 4.39 1m7yA1 PRO 143 HB2 -0.49 0.03 -0.02 -0.04 2.28 1.76 1m7yA1 PRO 143 HB3 -0.16 -0.10 -0.05 -0.04 2.02 1.66 1m7yA1 PRO 143 HG2 -0.93 -0.02 -0.04 -0.04 2.03 1.00 1m7yA1 PRO 143 HG3 -1.38 -0.04 -0.03 -0.04 2.03 0.54 1m7yA1 PRO 143 HD2 -0.40 0.12 0.34 -0.04 3.68 3.71 1m7yA1 PRO 143 HD3 -0.24 -0.01 0.12 -0.04 3.65 3.48 1m7yA1 TYR 144 H -0.40 0.58 0.29 -0.55 8.29 8.22 1m7yA1 TYR 144 HA -0.12 0.26 0.91 -0.75 4.56 4.86 1m7yA1 TYR 144 HB2 0.24 -0.18 0.14 -0.04 3.06 3.22 1m7yA1 TYR 144 HB3 0.05 0.40 -0.05 -0.04 2.98 3.33 1m7yA1 TYR 144 HD2 0.04 0.15 -0.41 -0.04 7.15 6.90 1m7yA1 TYR 144 HE2 -0.07 -0.05 -0.17 -0.04 6.85 6.52 1m7yA1 TYR 145 H 0.11 0.14 0.14 -0.55 8.29 8.13 1m7yA1 TYR 145 HA -0.36 0.09 0.40 -0.75 4.56 3.93 1m7yA1 TYR 145 HB2 -0.40 0.03 0.08 -0.04 3.06 2.73 1m7yA1 TYR 145 HB3 -1.18 0.02 0.15 -0.04 2.98 1.94 1m7yA1 TYR 145 HD2 -0.95 0.10 -0.02 -0.04 7.15 6.24 1m7yA1 TYR 145 HE2 -0.20 0.08 -0.07 -0.04 6.85 6.61 1m7yA1 PRO 146 HA -0.26 0.20 0.44 -0.51 4.44 4.30 1m7yA1 PRO 146 HB2 -1.27 -0.06 0.03 -0.04 2.28 0.94 1m7yA1 PRO 146 HB3 -0.51 0.08 0.13 -0.04 2.02 1.67 1m7yA1 PRO 146 HG2 -0.66 -0.04 0.01 -0.04 2.03 1.30 1m7yA1 PRO 146 HG3 -0.40 0.24 -0.11 -0.04 2.03 1.72 1m7yA1 PRO 146 HD2 -0.50 -0.00 0.17 -0.04 3.68 3.31 1m7yA1 PRO 146 HD3 -0.31 0.23 0.23 -0.04 3.65 3.76 1m7yA1 GLY 147 H -2.05 0.07 -0.33 -0.55 8.43 5.57 1m7yA1 GLY 147 HA2 -0.26 0.10 0.35 -0.51 4.01 3.69 1m7yA1 GLY 147 HA3 -1.04 0.01 0.24 -0.51 4.01 2.71 1m7yA1 PHE 148 H -0.49 0.54 -0.34 -0.55 8.34 7.50 1m7yA1 PHE 148 HA -0.01 -0.05 0.33 -0.75 4.62 4.14 1m7yA1 PHE 148 HB2 -0.04 0.19 -0.02 -0.04 3.15 3.24 1m7yA1 PHE 148 HB3 -0.18 0.03 -0.10 -0.04 3.06 2.77 1m7yA1 PHE 148 HD2 -0.04 0.02 -0.07 -0.04 7.28 7.14 1m7yA1 PHE 148 HE2 0.10 -0.01 -0.05 -0.04 7.38 7.37 1m7yA1 PHE 148 HZ 0.08 -0.05 -0.05 -0.04 7.32 7.26 1m7yA1 ASP 149 H 0.12 0.42 -0.29 -0.55 8.40 8.10 1m7yA1 ASP 149 HA 0.09 0.08 0.34 -0.75 4.63 4.38 1m7yA1 ASP 149 HB2 0.10 0.09 0.09 -0.04 2.71 2.94 1m7yA1 ASP 149 HB3 0.09 0.01 0.06 -0.04 2.70 2.81 1m7yA1 ARG 150 H 0.07 0.30 -0.39 -0.55 8.46 7.89 1m7yA1 ARG 150 HA 0.04 0.18 0.87 -0.75 4.34 4.68 1m7yA1 ARG 150 HB2 -0.07 0.02 0.03 -0.04 1.90 1.84 1m7yA1 ARG 150 HB3 0.08 0.03 0.17 -0.04 1.80 2.04 1m7yA1 ARG 150 HG2 0.27 -0.01 -0.36 -0.04 1.67 1.53 1m7yA1 ARG 150 HG3 -0.16 0.04 0.00 -0.04 1.67 1.50 1m7yA1 ARG 150 HD2 0.17 0.02 -0.06 -0.04 3.22 3.31 1m7yA1 ARG 150 HD3 -0.08 0.01 -0.02 -0.04 3.22 3.09 1m7yA1 ASP 151 H 0.14 0.50 0.17 -0.55 8.40 8.66 1m7yA1 ASP 151 HA 0.18 0.04 0.32 -0.75 4.63 4.42 1m7yA1 ASP 151 HB2 0.29 -0.05 0.02 -0.04 2.71 2.93 1m7yA1 ASP 151 HB3 0.21 0.03 -0.03 -0.04 2.70 2.87 1m7yA1 LEU 152 H 0.09 0.48 -0.16 -0.55 8.37 8.23 1m7yA1 LEU 152 HA -0.06 0.14 0.57 -0.75 4.35 4.25 1m7yA1 LEU 152 HB2 -0.09 0.11 -0.13 -0.04 1.64 1.50 1m7yA1 LEU 152 HB3 -0.14 0.01 -0.06 -0.04 1.64 1.41 1m7yA1 LEU 152 HG -0.00 -0.08 0.02 -0.04 1.64 1.54 1m7yA1 LEU 152 HD13 -0.60 -0.00 -0.13 -0.04 0.93 0.15 1m7yA1 LEU 152 HD23 -0.14 -0.02 -0.26 -0.04 0.89 0.43 1m7yA1 LYS 153 H 0.06 0.10 -0.39 -0.55 8.42 7.62 1m7yA1 LYS 153 HA -0.04 0.20 1.13 -0.75 4.32 4.86 1m7yA1 LYS 153 HB2 0.06 0.10 0.03 -0.04 1.87 2.02 1m7yA1 LYS 153 HB3 0.02 0.10 0.05 -0.04 1.79 1.92 1m7yA1 LYS 153 HG2 -0.04 0.08 -0.42 -0.04 1.46 1.03 1m7yA1 LYS 153 HG3 -0.00 -0.06 -0.17 -0.04 1.46 1.18 1m7yA1 LYS 153 HD2 -0.02 0.02 0.09 -0.04 1.69 1.74 1m7yA1 LYS 153 HD3 -0.03 -0.13 -0.04 -0.04 1.68 1.44 1m7yA1 LYS 153 HE2 0.03 0.01 0.11 -0.04 2.99 3.10 1m7yA1 LYS 153 HE3 0.03 0.05 0.03 -0.04 2.99 3.06 1m7yA1 TRP 154 H 0.24 0.42 0.14 -0.55 7.97 8.22 1m7yA1 TRP 154 HA -0.02 0.08 0.40 -0.75 4.62 4.32 1m7yA1 TRP 154 HB2 0.00 -0.00 0.25 -0.04 3.23 3.44 1m7yA1 TRP 154 HB3 -0.00 -0.05 0.15 -0.04 3.23 3.28 1m7yA1 TRP 154 HD1 -0.01 -0.01 0.11 -0.04 7.22 7.27 1m7yA1 TRP 154 HE1 -0.00 0.29 0.15 -0.04 10.20 10.60 1m7yA1 TRP 154 HE3 0.02 -0.03 -0.05 -0.04 7.59 7.50 1m7yA1 TRP 154 HZ2 -0.01 0.12 -0.00 -0.04 7.44 7.52 1m7yA1 TRP 154 HZ3 0.02 -0.04 -0.04 -0.04 7.13 7.02 1m7yA1 TRP 154 HH2 -0.00 -0.02 -0.03 -0.04 7.19 7.09 1m7yA1 ARG 155 H 0.02 0.15 -0.06 -0.55 8.46 8.01 1m7yA1 ARG 155 HA -0.22 0.18 0.81 -0.75 4.34 4.35 1m7yA1 ARG 155 HB2 0.02 0.04 -0.03 -0.04 1.90 1.89 1m7yA1 ARG 155 HB3 -0.05 0.01 0.09 -0.04 1.80 1.81 1m7yA1 ARG 155 HG2 -0.92 0.02 -0.13 -0.04 1.67 0.59 1m7yA1 ARG 155 HG3 -0.29 -0.03 -0.03 -0.04 1.67 1.28 1m7yA1 ARG 155 HD2 -0.31 0.00 -0.02 -0.04 3.22 2.86 1m7yA1 ARG 155 HD3 -0.52 -0.02 -0.04 -0.04 3.22 2.60 1m7yA1 THR 156 H -0.17 0.04 -0.41 -0.55 8.28 7.19 1m7yA1 THR 156 HA -0.38 0.18 0.58 -0.75 4.39 4.02 1m7yA1 THR 156 HB -0.43 0.09 -0.10 -0.04 4.32 3.85 1m7yA1 THR 156 HG23 -1.06 -0.03 -0.12 -0.04 1.22 -0.04 1m7yA1 GLY 157 H -0.05 0.42 -0.13 -0.55 8.43 8.13 1m7yA1 GLY 157 HA2 -0.00 0.05 0.29 -0.51 4.01 3.83 1m7yA1 GLY 157 HA3 -0.02 0.03 0.48 -0.51 4.01 3.99 1m7yA1 VAL 158 H -0.09 0.01 -0.32 -0.55 8.24 7.30 1m7yA1 VAL 158 HA -0.05 0.18 0.71 -0.75 4.13 4.21 1m7yA1 VAL 158 HB -0.11 0.13 -0.01 -0.04 2.12 2.09 1m7yA1 VAL 158 HG13 -0.08 0.01 -0.27 -0.04 0.97 0.59 1m7yA1 VAL 158 HG23 -0.10 0.04 -0.36 -0.04 0.95 0.49 1m7yA1 GLU 159 H -0.05 0.71 0.33 -0.55 8.60 9.04 1m7yA1 GLU 159 HA -0.04 0.13 0.84 -0.75 4.29 4.48 1m7yA1 GLU 159 HB2 -0.04 0.01 -0.07 -0.04 2.09 1.95 1m7yA1 GLU 159 HB3 -0.03 -0.02 -0.02 -0.04 1.99 1.88 1m7yA1 GLU 159 HG2 -0.02 0.07 -0.11 -0.04 2.34 2.24 1m7yA1 GLU 159 HG3 -0.02 0.03 -0.07 -0.04 2.34 2.24 1m7yA1 ILE 160 H -0.05 0.18 0.12 -0.55 8.25 7.95 1m7yA1 ILE 160 HA -0.11 0.27 0.92 -0.75 4.18 4.50 1m7yA1 ILE 160 HB -0.08 -0.03 0.04 -0.04 1.89 1.78 1m7yA1 ILE 160 HG12 -0.20 0.03 -0.20 -0.04 1.49 1.08 1m7yA1 ILE 160 HG13 -0.10 0.03 -0.32 -0.04 1.21 0.77 1m7yA1 ILE 160 HG23 -0.22 -0.02 -0.30 -0.04 0.93 0.35 1m7yA1 ILE 160 HD13 -0.15 -0.00 -0.25 -0.04 0.88 0.43 1m7yA1 VAL 161 H -0.09 0.64 0.28 -0.55 8.24 8.52 1m7yA1 VAL 161 HA -0.06 0.19 0.81 -0.75 4.13 4.31 1m7yA1 VAL 161 HB -0.05 -0.06 -0.02 -0.04 2.12 1.95 1m7yA1 VAL 161 HG13 -0.05 0.03 -0.11 -0.04 0.97 0.80 1m7yA1 VAL 161 HG23 -0.05 0.00 -0.25 -0.04 0.95 0.61 1m7yA1 PRO 162 HA -0.09 0.25 0.62 -0.51 4.44 4.71 1m7yA1 PRO 162 HB2 -0.41 -0.05 -0.08 -0.04 2.28 1.69 1m7yA1 PRO 162 HB3 -0.01 0.06 0.02 -0.04 2.02 2.05 1m7yA1 PRO 162 HG2 -0.35 -0.03 0.07 -0.04 2.03 1.68 1m7yA1 PRO 162 HG3 0.00 0.05 0.04 -0.04 2.03 2.08 1m7yA1 PRO 162 HD2 -0.07 0.11 0.20 -0.04 3.68 3.88 1m7yA1 PRO 162 HD3 -0.05 0.21 0.09 -0.04 3.65 3.86 1m7yA1 ILE 163 H -0.09 0.61 0.05 -0.55 8.25 8.27 1m7yA1 ILE 163 HA -0.13 0.20 0.71 -0.75 4.18 4.21 1m7yA1 ILE 163 HB -0.06 -0.08 -0.08 -0.04 1.89 1.63 1m7yA1 ILE 163 HG12 -0.10 0.07 -0.11 -0.04 1.49 1.30 1m7yA1 ILE 163 HG13 -0.08 0.02 -0.32 -0.04 1.21 0.79 1m7yA1 ILE 163 HG23 -0.09 0.00 -0.27 -0.04 0.93 0.53 1m7yA1 ILE 163 HD13 -0.08 -0.00 -0.19 -0.04 0.88 0.56 1m7yA1 HIS 164 H -0.18 0.22 -0.06 -0.55 8.41 7.85 1m7yA1 HIS 164 HA 0.05 0.04 0.51 -0.75 4.63 4.48 1m7yA1 HIS 164 HB2 0.03 -0.03 0.09 -0.04 3.26 3.31 1m7yA1 HIS 164 HB3 0.06 -0.01 -0.05 -0.04 3.20 3.15 1m7yA1 HIS 164 HD2 0.04 -0.00 -0.02 -0.04 6.97 6.94 1m7yA1 HIS 164 HE1 0.05 0.06 -0.03 -0.04 7.75 7.79 1m7yA1 CYS 165 H 0.19 0.32 0.30 -0.55 8.50 8.75 1m7yA1 CYS 165 HA 0.06 0.09 0.83 -0.75 4.58 4.81 1m7yA1 CYS 165 HB2 0.18 0.37 0.22 -0.04 2.97 3.70 1m7yA1 CYS 165 HB3 0.13 -0.17 -0.17 -0.04 2.97 2.72 1m7yA1 THR 166 H -0.08 0.18 0.15 -0.55 8.28 7.99 1m7yA1 THR 166 HA -0.18 0.26 0.98 -0.75 4.39 4.69 1m7yA1 THR 166 HB -0.11 -0.06 0.11 -0.04 4.32 4.21 1m7yA1 THR 166 HG23 0.01 0.04 -0.22 -0.04 1.22 1.01 1m7yA1 SER 167 H -0.50 0.24 0.14 -0.55 8.46 7.79 1m7yA1 SER 167 HA -1.17 0.06 0.44 -0.75 4.49 3.06 1m7yA1 SER 167 HB2 0.13 0.08 0.06 -0.04 3.95 4.18 1m7yA1 SER 167 HB3 -0.21 0.05 0.08 -0.04 3.93 3.80 1m7yA1 SER 168 H -0.17 0.05 -0.28 -0.55 8.46 7.51 1m7yA1 SER 168 HA -0.03 0.11 0.33 -0.75 4.49 4.15 1m7yA1 SER 168 HB2 -0.07 -0.05 -0.01 -0.04 3.95 3.78 1m7yA1 SER 168 HB3 -0.03 0.08 0.00 -0.04 3.93 3.94 1m7yA1 ASN 169 H -0.15 0.10 -0.41 -0.55 8.53 7.53 1m7yA1 ASN 169 HA -0.03 0.28 0.88 -0.75 4.76 5.14 1m7yA1 ASN 169 HB2 -0.02 0.03 0.14 -0.04 2.88 2.99 1m7yA1 ASN 169 HB3 -0.03 0.01 -0.12 -0.04 2.79 2.60 1m7yA1 ASN 169 HD21 -0.02 0.23 -0.12 -0.04 7.03 7.08 1m7yA1 ASN 169 HD22 -0.02 0.01 -0.05 -0.04 7.74 7.64 1m7yA1 GLY 170 H -0.12 0.52 -0.11 -0.55 8.43 8.17 1m7yA1 GLY 170 HA2 0.03 0.04 0.32 -0.51 4.01 3.89 1m7yA1 GLY 170 HA3 0.04 0.12 0.47 -0.51 4.01 4.13 1m7yA1 PHE 171 H -0.36 0.29 -0.00 -0.55 8.34 7.71 1m7yA1 PHE 171 HA -0.07 -0.03 0.14 -0.75 4.62 3.91 1m7yA1 PHE 171 HB2 -0.15 0.20 -0.23 -0.04 3.15 2.92 1m7yA1 PHE 171 HB3 -0.18 0.04 0.11 -0.04 3.06 2.99 1m7yA1 PHE 171 HD2 -0.15 0.11 -0.30 -0.04 7.28 6.90 1m7yA1 PHE 171 HE2 -0.83 0.02 -0.06 -0.04 7.38 6.47 1m7yA1 PHE 171 HZ -1.39 -0.00 -0.06 -0.04 7.32 5.83 1m7yA1 GLN 172 H -0.01 0.05 -0.34 -0.55 8.47 7.63 1m7yA1 GLN 172 HA 0.02 0.15 0.72 -0.75 4.36 4.49 1m7yA1 GLN 172 HB2 -0.00 -0.02 -0.03 -0.04 2.15 2.06 1m7yA1 GLN 172 HB3 0.00 -0.07 0.05 -0.04 2.02 1.97 1m7yA1 GLN 172 HG2 0.02 -0.01 -0.05 -0.04 2.40 2.31 1m7yA1 GLN 172 HG3 0.02 0.22 -0.10 -0.04 2.39 2.48 1m7yA1 GLN 172 HE21 0.01 -0.06 0.04 -0.04 6.97 6.92 1m7yA1 GLN 172 HE22 0.02 0.06 0.03 -0.04 7.69 7.75 1m7yA1 ILE 173 H -0.00 0.07 0.13 -0.55 8.25 7.90 1m7yA1 ILE 173 HA -0.02 0.11 0.47 -0.75 4.18 3.99 1m7yA1 ILE 173 HB -0.03 -0.07 0.09 -0.04 1.89 1.84 1m7yA1 ILE 173 HG12 -0.02 0.08 -0.03 -0.04 1.49 1.47 1m7yA1 ILE 173 HG13 -0.01 -0.02 0.04 -0.04 1.21 1.18 1m7yA1 ILE 173 HG23 -0.08 0.01 -0.15 -0.04 0.93 0.67 1m7yA1 ILE 173 HD13 -0.02 0.00 -0.02 -0.04 0.88 0.80 1m7yA1 THR 174 H -0.04 0.18 0.17 -0.55 8.28 8.04 1m7yA1 THR 174 HA -0.03 0.26 0.90 -0.75 4.39 4.78 1m7yA1 THR 174 HB -0.02 -0.07 0.12 -0.04 4.32 4.32 1m7yA1 THR 174 HG23 -0.02 0.08 -0.17 -0.04 1.22 1.07 1m7yA1 GLU 175 H -0.03 0.22 0.14 -0.55 8.60 8.39 1m7yA1 GLU 175 HA -0.08 0.14 0.40 -0.75 4.29 4.01 1m7yA1 GLU 175 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.13 1m7yA1 GLU 175 HB3 -0.01 0.08 0.04 -0.04 1.99 2.06 1m7yA1 GLU 175 HG2 -0.00 0.05 0.04 -0.04 2.34 2.38 1m7yA1 GLU 175 HG3 -0.01 -0.04 0.10 -0.04 2.34 2.36 1m7yA1 THR 176 H -0.02 0.09 -0.06 -0.55 8.28 7.74 1m7yA1 THR 176 HA -0.00 0.12 0.38 -0.75 4.39 4.13 1m7yA1 THR 176 HB -0.00 -0.03 0.04 -0.04 4.32 4.28 1m7yA1 THR 176 HG23 0.01 0.03 -0.08 -0.04 1.22 1.14 1m7yA1 ALA 177 H -0.03 0.03 -0.32 -0.55 8.40 7.53 1m7yA1 ALA 177 HA 0.00 0.09 0.44 -0.75 4.34 4.11 1m7yA1 ALA 177 HB3 -0.02 0.01 0.06 -0.04 1.41 1.41 1m7yA1 LEU 178 H -0.15 0.37 -0.24 -0.55 8.37 7.80 1m7yA1 LEU 178 HA -0.30 0.06 0.44 -0.75 4.35 3.79 1m7yA1 LEU 178 HB2 -0.41 0.13 0.18 -0.04 1.64 1.50 1m7yA1 LEU 178 HB3 -1.48 0.02 -0.03 -0.04 1.64 0.10 1m7yA1 LEU 178 HG -0.29 0.02 -0.03 -0.04 1.64 1.30 1m7yA1 LEU 178 HD13 -0.40 -0.02 -0.15 -0.04 0.93 0.32 1m7yA1 LEU 178 HD23 -0.58 -0.00 -0.06 -0.04 0.89 0.20 1m7yA1 GLU 179 H -0.07 0.47 -0.03 -0.55 8.60 8.43 1m7yA1 GLU 179 HA 0.17 0.08 0.45 -0.75 4.29 4.24 1m7yA1 GLU 179 HB2 0.04 0.04 0.11 -0.04 2.09 2.24 1m7yA1 GLU 179 HB3 0.04 0.03 0.05 -0.04 1.99 2.07 1m7yA1 GLU 179 HG2 0.05 -0.00 -0.01 -0.04 2.34 2.33 1m7yA1 GLU 179 HG3 0.10 -0.01 -0.01 -0.04 2.34 2.37 1m7yA1 GLU 180 H 0.01 0.49 -0.18 -0.55 8.60 8.38 1m7yA1 GLU 180 HA 0.05 0.03 0.44 -0.75 4.29 4.06 1m7yA1 GLU 180 HB2 0.03 0.07 0.18 -0.04 2.09 2.33 1m7yA1 GLU 180 HB3 0.05 -0.01 0.01 -0.04 1.99 2.00 1m7yA1 GLU 180 HG2 0.04 -0.02 0.04 -0.04 2.34 2.37 1m7yA1 GLU 180 HG3 0.03 0.06 0.07 -0.04 2.34 2.46 1m7yA1 ALA 181 H 0.00 0.35 -0.35 -0.55 8.40 7.86 1m7yA1 ALA 181 HA -0.02 0.10 0.52 -0.75 4.34 4.18 1m7yA1 ALA 181 HB3 -0.04 0.02 0.07 -0.04 1.41 1.42 1m7yA1 TYR 182 H 0.22 0.54 -0.03 -0.55 8.29 8.46 1m7yA1 TYR 182 HA 0.08 0.03 0.37 -0.75 4.56 4.29 1m7yA1 TYR 182 HB2 0.35 0.05 0.12 -0.04 3.06 3.54 1m7yA1 TYR 182 HB3 0.14 0.05 0.12 -0.04 2.98 3.26 1m7yA1 TYR 182 HD2 0.10 -0.02 -0.10 -0.04 7.15 7.09 1m7yA1 TYR 182 HE2 -0.04 0.03 -0.02 -0.04 6.85 6.78 1m7yA1 GLN 183 H 0.15 0.53 -0.31 -0.55 8.47 8.31 1m7yA1 GLN 183 HA 0.06 0.05 0.51 -0.75 4.36 4.23 1m7yA1 GLN 183 HB2 0.07 0.08 0.14 -0.04 2.15 2.40 1m7yA1 GLN 183 HB3 0.05 -0.06 0.02 -0.04 2.02 2.00 1m7yA1 GLN 183 HG2 0.15 0.24 0.06 -0.04 2.40 2.80 1m7yA1 GLN 183 HG3 0.08 -0.08 -0.02 -0.04 2.39 2.34 1m7yA1 GLN 183 HE21 0.22 0.01 -0.05 -0.04 6.97 7.12 1m7yA1 GLN 183 HE22 0.27 -0.00 -0.05 -0.04 7.69 7.86 1m7yA1 GLU 184 H 0.02 0.45 -0.21 -0.55 8.60 8.32 1m7yA1 GLU 184 HA 0.01 -0.00 0.49 -0.75 4.29 4.03 1m7yA1 GLU 184 HB2 0.02 0.03 0.17 -0.04 2.09 2.27 1m7yA1 GLU 184 HB3 -0.01 0.14 0.17 -0.04 1.99 2.25 1m7yA1 GLU 184 HG2 0.01 -0.02 0.01 -0.04 2.34 2.31 1m7yA1 GLU 184 HG3 -0.01 0.01 -0.15 -0.04 2.34 2.15 1m7yA1 ALA 185 H -0.06 0.47 -0.31 -0.55 8.40 7.95 1m7yA1 ALA 185 HA -0.07 0.02 0.32 -0.75 4.34 3.86 1m7yA1 ALA 185 HB3 -0.17 0.07 0.00 -0.04 1.41 1.27 1m7yA1 GLU 186 H -0.10 0.25 -0.41 -0.55 8.60 7.79 1m7yA1 GLU 186 HA -0.09 0.09 0.45 -0.75 4.29 3.99 1m7yA1 GLU 186 HB2 -0.08 0.06 0.19 -0.04 2.09 2.21 1m7yA1 GLU 186 HB3 -0.02 0.07 0.12 -0.04 1.99 2.12 1m7yA1 GLU 186 HG2 -0.00 -0.05 0.01 -0.04 2.34 2.25 1m7yA1 GLU 186 HG3 -0.03 -0.02 0.03 -0.04 2.34 2.28 1m7yA1 LYS 187 H -0.02 0.44 -0.04 -0.55 8.42 8.25 1m7yA1 LYS 187 HA -0.01 -0.00 0.42 -0.75 4.32 3.98 1m7yA1 LYS 187 HB2 -0.00 0.09 0.21 -0.04 1.87 2.13 1m7yA1 LYS 187 HB3 0.00 -0.03 0.02 -0.04 1.79 1.74 1m7yA1 LYS 187 HG2 0.01 -0.06 0.04 -0.04 1.46 1.41 1m7yA1 LYS 187 HG3 0.01 -0.04 0.07 -0.04 1.46 1.46 1m7yA1 LYS 187 HD2 0.00 -0.07 0.01 -0.04 1.69 1.60 1m7yA1 LYS 187 HD3 0.01 0.24 0.03 -0.04 1.68 1.92 1m7yA1 LYS 187 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 1m7yA1 LYS 187 HE3 0.01 -0.03 0.00 -0.04 2.99 2.94 1m7yA1 ARG 188 H -0.03 0.36 -0.54 -0.55 8.46 7.69 1m7yA1 ARG 188 HA -0.01 0.07 0.63 -0.75 4.34 4.28 1m7yA1 ARG 188 HB2 -0.03 0.06 0.06 -0.04 1.90 1.95 1m7yA1 ARG 188 HB3 -0.02 -0.04 0.09 -0.04 1.80 1.79 1m7yA1 ARG 188 HG2 -0.01 -0.05 -0.02 -0.04 1.67 1.55 1m7yA1 ARG 188 HG3 -0.01 0.04 -0.05 -0.04 1.67 1.61 1m7yA1 ARG 188 HD2 -0.00 -0.08 -0.03 -0.04 3.22 3.06 1m7yA1 ARG 188 HD3 -0.02 -0.00 -0.12 -0.04 3.22 3.04 1m7yA1 ASN 189 H -0.03 0.48 -0.52 -0.55 8.53 7.91 1m7yA1 ASN 189 HA -0.03 0.01 0.32 -0.75 4.76 4.31 1m7yA1 ASN 189 HB2 -0.02 0.18 0.06 -0.04 2.88 3.07 1m7yA1 ASN 189 HB3 -0.02 -0.09 0.19 -0.04 2.79 2.83 1m7yA1 ASN 189 HD21 -0.01 -0.05 -0.05 -0.04 7.03 6.88 1m7yA1 ASN 189 HD22 -0.01 -0.00 -0.11 -0.04 7.74 7.58 1m7yA1 LEU 190 H -0.06 0.66 -0.04 -0.55 8.37 8.39 1m7yA1 LEU 190 HA -0.04 0.25 0.92 -0.75 4.35 4.73 1m7yA1 LEU 190 HB2 -0.07 -0.08 -0.06 -0.04 1.64 1.40 1m7yA1 LEU 190 HB3 -0.05 -0.05 -0.18 -0.04 1.64 1.31 1m7yA1 LEU 190 HG -0.03 0.14 -0.38 -0.04 1.64 1.33 1m7yA1 LEU 190 HD13 -0.04 -0.05 -0.15 -0.04 0.93 0.65 1m7yA1 LEU 190 HD23 -0.03 0.03 -0.10 -0.04 0.89 0.75 1m7yA1 ARG 191 H -0.04 0.26 0.18 -0.55 8.46 8.30 1m7yA1 ARG 191 HA -0.08 0.10 0.72 -0.75 4.34 4.34 1m7yA1 ARG 191 HB2 -0.03 0.02 0.06 -0.04 1.90 1.91 1m7yA1 ARG 191 HB3 -0.03 -0.03 0.15 -0.04 1.80 1.85 1m7yA1 ARG 191 HG2 -0.01 0.10 -0.16 -0.04 1.67 1.56 1m7yA1 ARG 191 HG3 -0.02 -0.01 0.03 -0.04 1.67 1.63 1m7yA1 ARG 191 HD2 -0.01 -0.02 -0.00 -0.04 3.22 3.14 1m7yA1 ARG 191 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.15 1m7yA1 VAL 192 H -0.12 0.17 0.13 -0.55 8.24 7.87 1m7yA1 VAL 192 HA -0.04 0.13 0.62 -0.75 4.13 4.09 1m7yA1 VAL 192 HB 0.01 0.02 0.10 -0.04 2.12 2.20 1m7yA1 VAL 192 HG13 0.11 -0.02 -0.14 -0.04 0.97 0.87 1m7yA1 VAL 192 HG23 -0.17 0.01 -0.09 -0.04 0.95 0.66 1m7yA1 LYS 193 H 0.00 0.66 0.46 -0.55 8.42 8.98 1m7yA1 LYS 193 HA 0.05 0.23 0.99 -0.75 4.32 4.84 1m7yA1 LYS 193 HB2 -0.00 -0.02 0.04 -0.04 1.87 1.85 1m7yA1 LYS 193 HB3 0.04 0.12 0.15 -0.04 1.79 2.06 1m7yA1 LYS 193 HG2 -0.01 0.02 -0.01 -0.04 1.46 1.43 1m7yA1 LYS 193 HG3 -0.01 -0.05 0.13 -0.04 1.46 1.49 1m7yA1 LYS 193 HD2 0.02 0.12 -0.20 -0.04 1.69 1.59 1m7yA1 LYS 193 HD3 0.00 -0.07 -0.07 -0.04 1.68 1.50 1m7yA1 LYS 193 HE2 0.06 0.03 0.17 -0.04 2.99 3.20 1m7yA1 LYS 193 HE3 0.03 -0.06 0.06 -0.04 2.99 2.98 1m7yA1 GLY 194 H 0.03 0.18 0.29 -0.55 8.43 8.39 1m7yA1 GLY 194 HA2 0.07 0.08 0.45 -0.51 4.01 4.10 1m7yA1 GLY 194 HA3 0.07 0.07 0.50 -0.51 4.01 4.14 1m7yA1 VAL 195 H 0.05 0.76 0.41 -0.55 8.24 8.90 1m7yA1 VAL 195 HA -0.00 0.20 1.07 -0.75 4.13 4.64 1m7yA1 VAL 195 HB 0.07 -0.02 0.15 -0.04 2.12 2.27 1m7yA1 VAL 195 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.74 1m7yA1 VAL 195 HG23 0.21 -0.01 -0.13 -0.04 0.95 0.98 1m7yA1 LEU 196 H -0.11 0.72 0.31 -0.55 8.37 8.75 1m7yA1 LEU 196 HA -0.10 0.24 1.12 -0.75 4.35 4.85 1m7yA1 LEU 196 HB2 -0.21 0.01 -0.09 -0.04 1.64 1.31 1m7yA1 LEU 196 HB3 -0.32 0.00 0.09 -0.04 1.64 1.37 1m7yA1 LEU 196 HG -0.17 0.04 -0.01 -0.04 1.64 1.45 1m7yA1 LEU 196 HD13 -0.30 -0.01 -0.11 -0.04 0.93 0.47 1m7yA1 LEU 196 HD23 -0.49 -0.03 -0.30 -0.04 0.89 0.03 1m7yA1 VAL 197 H -0.03 0.66 0.41 -0.55 8.24 8.72 1m7yA1 VAL 197 HA -0.00 0.25 1.03 -0.75 4.13 4.66 1m7yA1 VAL 197 HB 0.02 -0.02 0.04 -0.04 2.12 2.12 1m7yA1 VAL 197 HG13 -0.01 0.01 -0.17 -0.04 0.97 0.76 1m7yA1 VAL 197 HG23 0.02 0.00 -0.13 -0.04 0.95 0.80 1m7yA1 THR 198 H 0.07 0.28 0.17 -0.55 8.28 8.26 1m7yA1 THR 198 HA 0.15 0.21 1.03 -0.75 4.39 5.02 1m7yA1 THR 198 HB 0.12 -0.03 0.26 -0.04 4.32 4.62 1m7yA1 THR 198 HG23 0.19 0.10 0.07 -0.04 1.22 1.53 1m7yA1 ASN 199 H 0.14 0.52 0.04 -0.55 8.53 8.69 1m7yA1 ASN 199 HA 0.12 -0.00 0.63 -0.75 4.76 4.76 1m7yA1 ASN 199 HB2 0.09 0.04 -0.19 -0.04 2.88 2.77 1m7yA1 ASN 199 HB3 0.14 -0.03 -0.03 -0.04 2.79 2.83 1m7yA1 ASN 199 HD21 -0.08 0.46 0.00 -0.04 7.03 7.37 1m7yA1 ASN 199 HD22 0.08 -0.14 -0.00 -0.04 7.74 7.64 1m7yA1 PRO 200 HA 0.10 0.06 0.40 -0.51 4.44 4.49 1m7yA1 PRO 200 HB2 0.01 -0.04 -0.28 -0.04 2.28 1.93 1m7yA1 PRO 200 HB3 -0.02 0.09 -0.32 -0.04 2.02 1.73 1m7yA1 PRO 200 HG2 -0.18 0.17 -0.19 -0.04 2.03 1.79 1m7yA1 PRO 200 HG3 0.01 0.02 -0.07 -0.04 2.03 1.94 1m7yA1 PRO 200 HD2 -0.05 -0.22 -0.29 -0.04 3.68 3.08 1m7yA1 PRO 200 HD3 -0.45 0.18 0.21 -0.04 3.65 3.55 1m7yA1 SER 201 H 0.02 0.71 0.20 -0.55 8.46 8.85 1m7yA1 SER 201 HA 0.04 0.15 0.50 -0.75 4.49 4.43 1m7yA1 SER 201 HB2 -0.03 0.15 0.11 -0.04 3.95 4.15 1m7yA1 SER 201 HB3 -0.06 -0.03 0.15 -0.04 3.93 3.94 1m7yA1 ASN 202 H -0.02 0.33 0.19 -0.55 8.53 8.49 1m7yA1 ASN 202 HA -0.46 0.12 0.63 -0.75 4.76 4.29 1m7yA1 ASN 202 HB2 -0.06 0.00 -0.04 -0.04 2.88 2.74 1m7yA1 ASN 202 HB3 -0.08 -0.03 0.12 -0.04 2.79 2.77 1m7yA1 ASN 202 HD21 -0.27 0.01 -0.05 -0.04 7.03 6.69 1m7yA1 ASN 202 HD22 -0.28 -0.04 -0.04 -0.04 7.74 7.34 1m7yA1 PRO 203 HA -0.97 0.01 0.18 -0.51 4.44 3.16 1m7yA1 PRO 203 HB2 -0.33 0.04 -0.08 -0.04 2.28 1.87 1m7yA1 PRO 203 HB3 -0.46 0.01 -0.09 -0.04 2.02 1.43 1m7yA1 PRO 203 HG2 -1.83 0.05 -0.24 -0.04 2.03 -0.03 1m7yA1 PRO 203 HG3 -0.81 0.04 -0.13 -0.04 2.03 1.09 1m7yA1 PRO 203 HD2 -0.59 0.27 -0.16 -0.04 3.68 3.17 1m7yA1 PRO 203 HD3 -0.40 0.10 -0.10 -0.04 3.65 3.21 1m7yA1 LEU 204 H -0.48 0.14 -0.36 -0.55 8.37 7.12 1m7yA1 LEU 204 HA -0.57 0.07 0.28 -0.75 4.35 3.37 1m7yA1 LEU 204 HB2 -0.21 -0.11 -0.01 -0.04 1.64 1.27 1m7yA1 LEU 204 HB3 -0.22 0.07 -0.04 -0.04 1.64 1.41 1m7yA1 LEU 204 HG -0.63 0.01 -0.10 -0.04 1.64 0.89 1m7yA1 LEU 204 HD13 -0.16 0.03 -0.02 -0.04 0.93 0.74 1m7yA1 LEU 204 HD23 -1.47 -0.01 -0.09 -0.04 0.89 -0.71 1m7yA1 GLY 205 H 0.09 0.45 -0.19 -0.55 8.43 8.24 1m7yA1 GLY 205 HA2 0.04 0.05 0.23 -0.51 4.01 3.82 1m7yA1 GLY 205 HA3 0.16 0.20 0.56 -0.51 4.01 4.41 1m7yA1 THR 206 H -0.02 0.02 -0.16 -0.55 8.28 7.57 1m7yA1 THR 206 HA -0.03 0.13 1.00 -0.75 4.39 4.74 1m7yA1 THR 206 HB 0.01 0.11 -0.01 -0.04 4.32 4.39 1m7yA1 THR 206 HG23 0.04 0.08 -0.20 -0.04 1.22 1.11 1m7yA1 THR 207 H -0.02 0.27 0.08 -0.55 8.28 8.06 1m7yA1 THR 207 HA 0.08 -0.07 0.65 -0.75 4.39 4.30 1m7yA1 THR 207 HB 0.12 0.01 -0.06 -0.04 4.32 4.35 1m7yA1 THR 207 HG23 0.03 0.00 -0.13 -0.04 1.22 1.08 1m7yA1 MET 208 H 0.09 0.03 0.14 -0.55 8.47 8.18 1m7yA1 MET 208 HA 0.01 0.06 0.44 -0.75 4.52 4.28 1m7yA1 MET 208 HB2 0.04 -0.00 0.09 -0.04 2.15 2.24 1m7yA1 MET 208 HB3 0.00 0.04 0.03 -0.04 2.03 2.06 1m7yA1 MET 208 HG2 -0.02 0.09 -0.11 -0.04 2.63 2.55 1m7yA1 MET 208 HG3 0.00 0.00 0.06 -0.04 2.56 2.58 1m7yA1 MET 208 HE3 0.01 0.00 -0.06 -0.04 2.10 2.01 1m7yA1 THR 209 H 0.00 0.06 0.20 -0.55 8.28 7.99 1m7yA1 THR 209 HA -0.01 0.27 0.60 -0.75 4.39 4.49 1m7yA1 THR 209 HB 0.01 -0.03 0.16 -0.04 4.32 4.42 1m7yA1 THR 209 HG23 0.01 0.07 0.07 -0.04 1.22 1.33 1m7yA1 ARG 210 H 0.00 0.25 0.17 -0.55 8.46 8.33 1m7yA1 ARG 210 HA -0.04 0.12 0.37 -0.75 4.34 4.03 1m7yA1 ARG 210 HB2 0.01 0.09 0.12 -0.04 1.90 2.08 1m7yA1 ARG 210 HB3 0.07 -0.02 0.10 -0.04 1.80 1.90 1m7yA1 ARG 210 HG2 0.39 -0.02 -0.14 -0.04 1.67 1.86 1m7yA1 ARG 210 HG3 0.07 0.02 0.03 -0.04 1.67 1.75 1m7yA1 ARG 210 HD2 0.11 -0.01 -0.02 -0.04 3.22 3.25 1m7yA1 ARG 210 HD3 0.24 0.06 -0.02 -0.04 3.22 3.46 1m7yA1 ASN 211 H 0.05 0.08 -0.18 -0.55 8.53 7.93 1m7yA1 ASN 211 HA 0.12 0.12 0.38 -0.75 4.76 4.63 1m7yA1 ASN 211 HB2 0.03 0.06 0.08 -0.04 2.88 3.02 1m7yA1 ASN 211 HB3 0.03 -0.06 0.08 -0.04 2.79 2.80 1m7yA1 ASN 211 HD21 0.01 0.03 -0.09 -0.04 7.03 6.94 1m7yA1 ASN 211 HD22 0.01 -0.05 -0.08 -0.04 7.74 7.58 1m7yA1 GLU 212 H 0.02 0.07 -0.21 -0.55 8.60 7.93 1m7yA1 GLU 212 HA 0.01 0.10 0.39 -0.75 4.29 4.03 1m7yA1 GLU 212 HB2 -0.00 0.09 0.14 -0.04 2.09 2.28 1m7yA1 GLU 212 HB3 -0.01 0.02 0.00 -0.04 1.99 1.96 1m7yA1 GLU 212 HG2 -0.00 0.13 0.14 -0.04 2.34 2.56 1m7yA1 GLU 212 HG3 0.01 -0.03 0.10 -0.04 2.34 2.37 1m7yA1 LEU 213 H -0.02 0.48 -0.28 -0.55 8.37 8.00 1m7yA1 LEU 213 HA -0.06 0.01 0.38 -0.75 4.35 3.93 1m7yA1 LEU 213 HB2 -0.17 0.12 0.11 -0.04 1.64 1.65 1m7yA1 LEU 213 HB3 -0.21 -0.01 -0.06 -0.04 1.64 1.32 1m7yA1 LEU 213 HG -0.07 0.05 -0.14 -0.04 1.64 1.45 1m7yA1 LEU 213 HD13 -0.15 0.02 -0.21 -0.04 0.93 0.55 1m7yA1 LEU 213 HD23 -0.07 -0.02 -0.08 -0.04 0.89 0.68 1m7yA1 TYR 214 H 0.06 0.58 -0.10 -0.55 8.29 8.28 1m7yA1 TYR 214 HA -0.00 0.06 0.43 -0.75 4.56 4.29 1m7yA1 TYR 214 HB2 -0.01 0.08 0.16 -0.04 3.06 3.24 1m7yA1 TYR 214 HB3 -0.01 -0.03 -0.02 -0.04 2.98 2.89 1m7yA1 TYR 214 HD2 -0.01 0.01 -0.03 -0.04 7.15 7.07 1m7yA1 TYR 214 HE2 -0.02 0.01 -0.01 -0.04 6.85 6.78 1m7yA1 LEU 215 H 0.09 0.46 -0.26 -0.55 8.37 8.11 1m7yA1 LEU 215 HA 0.07 0.02 0.41 -0.75 4.35 4.09 1m7yA1 LEU 215 HB2 0.03 -0.00 0.05 -0.04 1.64 1.68 1m7yA1 LEU 215 HB3 0.02 0.13 0.14 -0.04 1.64 1.89 1m7yA1 LEU 215 HG -0.04 0.03 -0.38 -0.04 1.64 1.21 1m7yA1 LEU 215 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 1m7yA1 LEU 215 HD23 -0.03 -0.03 -0.36 -0.04 0.89 0.42 1m7yA1 LEU 216 H 0.02 0.59 -0.15 -0.55 8.37 8.28 1m7yA1 LEU 216 HA 0.07 0.01 0.39 -0.75 4.35 4.06 1m7yA1 LEU 216 HB2 -0.00 0.11 0.14 -0.04 1.64 1.84 1m7yA1 LEU 216 HB3 0.03 -0.02 -0.06 -0.04 1.64 1.55 1m7yA1 LEU 216 HG -0.01 0.10 0.02 -0.04 1.64 1.70 1m7yA1 LEU 216 HD13 -0.01 -0.03 -0.12 -0.04 0.93 0.73 1m7yA1 LEU 216 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1m7yA1 LEU 217 H 0.02 0.58 -0.14 -0.55 8.37 8.28 1m7yA1 LEU 217 HA 0.02 0.04 0.37 -0.75 4.35 4.03 1m7yA1 LEU 217 HB2 0.02 0.07 0.11 -0.04 1.64 1.80 1m7yA1 LEU 217 HB3 0.02 -0.03 -0.07 -0.04 1.64 1.52 1m7yA1 LEU 217 HG -0.07 0.06 0.01 -0.04 1.64 1.61 1m7yA1 LEU 217 HD13 -0.17 -0.01 -0.18 -0.04 0.93 0.52 1m7yA1 LEU 217 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.72 1m7yA1 SER 218 H 0.09 0.56 -0.24 -0.55 8.46 8.32 1m7yA1 SER 218 HA 0.04 0.02 0.42 -0.75 4.49 4.23 1m7yA1 SER 218 HB2 0.08 0.04 0.11 -0.04 3.95 4.13 1m7yA1 SER 218 HB3 0.08 0.08 0.15 -0.04 3.93 4.20 1m7yA1 PHE 219 H 0.19 0.47 -0.26 -0.55 8.34 8.18 1m7yA1 PHE 219 HA -0.05 0.00 0.41 -0.75 4.62 4.23 1m7yA1 PHE 219 HB2 -0.03 0.02 0.10 -0.04 3.15 3.20 1m7yA1 PHE 219 HB3 -0.03 0.12 0.17 -0.04 3.06 3.29 1m7yA1 PHE 219 HD2 -0.05 0.01 -0.08 -0.04 7.28 7.12 1m7yA1 PHE 219 HE2 -0.06 -0.00 -0.14 -0.04 7.38 7.14 1m7yA1 PHE 219 HZ 0.06 0.03 -0.08 -0.04 7.32 7.30 1m7yA1 VAL 220 H 0.09 0.65 -0.04 -0.55 8.24 8.40 1m7yA1 VAL 220 HA -0.23 -0.01 0.32 -0.75 4.13 3.46 1m7yA1 VAL 220 HB -0.06 0.25 -0.16 -0.04 2.12 2.11 1m7yA1 VAL 220 HG13 0.10 0.01 -0.13 -0.04 0.97 0.91 1m7yA1 VAL 220 HG23 -0.01 0.02 -0.06 -0.04 0.95 0.86 1m7yA1 GLU 221 H -0.04 0.33 -0.54 -0.55 8.60 7.79 1m7yA1 GLU 221 HA -0.07 0.03 0.51 -0.75 4.29 4.00 1m7yA1 GLU 221 HB2 -0.01 0.05 0.13 -0.04 2.09 2.22 1m7yA1 GLU 221 HB3 -0.02 0.13 0.20 -0.04 1.99 2.26 1m7yA1 GLU 221 HG2 -0.03 0.04 -0.17 -0.04 2.34 2.14 1m7yA1 GLU 221 HG3 -0.02 -0.11 0.06 -0.04 2.34 2.24 1m7yA1 ASP 222 H -0.11 0.53 -0.00 -0.55 8.40 8.27 1m7yA1 ASP 222 HA -0.09 0.00 0.40 -0.75 4.63 4.19 1m7yA1 ASP 222 HB2 -0.20 0.08 0.18 -0.04 2.71 2.72 1m7yA1 ASP 222 HB3 -0.14 -0.05 0.01 -0.04 2.70 2.48 1m7yA1 LYS 223 H -0.36 0.47 -0.18 -0.55 8.42 7.80 1m7yA1 LYS 223 HA -0.25 0.10 0.58 -0.75 4.32 3.99 1m7yA1 LYS 223 HB2 -0.45 -0.03 -0.04 -0.04 1.87 1.31 1m7yA1 LYS 223 HB3 -0.27 0.00 0.02 -0.04 1.79 1.51 1m7yA1 LYS 223 HG2 -1.08 0.17 0.03 -0.04 1.46 0.53 1m7yA1 LYS 223 HG3 -1.39 -0.08 -0.07 -0.04 1.46 -0.12 1m7yA1 LYS 223 HD2 -1.07 0.02 -0.02 -0.04 1.69 0.58 1m7yA1 LYS 223 HD3 -0.51 0.04 -0.19 -0.04 1.68 0.98 1m7yA1 LYS 223 HE2 -0.48 -0.04 -0.06 -0.04 2.99 2.37 1m7yA1 LYS 223 HE3 -0.97 -0.04 -0.05 -0.04 2.99 1.89 1m7yA1 GLY 224 H -0.15 0.26 -0.47 -0.55 8.43 7.52 1m7yA1 GLY 224 HA2 -0.11 -0.01 0.33 -0.51 4.01 3.71 1m7yA1 GLY 224 HA3 -0.09 -0.01 0.42 -0.51 4.01 3.82 1m7yA1 ILE 225 H -0.15 0.20 -0.03 -0.55 8.25 7.73 1m7yA1 ILE 225 HA -0.09 0.29 0.95 -0.75 4.18 4.57 1m7yA1 ILE 225 HB 0.04 -0.02 -0.35 -0.04 1.89 1.51 1m7yA1 ILE 225 HG12 -0.17 -0.06 -0.11 -0.04 1.49 1.10 1m7yA1 ILE 225 HG13 -0.04 0.01 -0.26 -0.04 1.21 0.88 1m7yA1 ILE 225 HG23 0.01 0.04 -0.33 -0.04 0.93 0.61 1m7yA1 ILE 225 HD13 0.02 -0.04 -0.22 -0.04 0.88 0.59 1m7yA1 HIS 226 H 0.15 0.53 0.38 -0.55 8.41 8.92 1m7yA1 HIS 226 HA 0.00 0.27 0.96 -0.75 4.63 5.11 1m7yA1 HIS 226 HB2 0.01 0.00 0.15 -0.04 3.26 3.39 1m7yA1 HIS 226 HB3 0.14 -0.04 0.04 -0.04 3.20 3.30 1m7yA1 HIS 226 HD2 0.00 0.28 0.20 -0.04 6.97 7.41 1m7yA1 HIS 226 HE1 0.06 -0.06 -0.01 -0.04 7.75 7.68 1m7yA1 LEU 227 H 0.07 0.83 0.43 -0.55 8.37 9.15 1m7yA1 LEU 227 HA 0.03 0.20 1.05 -0.75 4.35 4.87 1m7yA1 LEU 227 HB2 0.01 0.03 -0.05 -0.04 1.64 1.58 1m7yA1 LEU 227 HB3 -0.03 0.00 0.20 -0.04 1.64 1.77 1m7yA1 LEU 227 HG -0.01 -0.07 -0.27 -0.04 1.64 1.26 1m7yA1 LEU 227 HD13 0.01 0.03 -0.05 -0.04 0.93 0.88 1m7yA1 LEU 227 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.68 1m7yA1 ILE 228 H -0.04 0.79 0.40 -0.55 8.25 8.85 1m7yA1 ILE 228 HA -0.11 0.16 0.97 -0.75 4.18 4.45 1m7yA1 ILE 228 HB -0.17 -0.03 0.14 -0.04 1.89 1.80 1m7yA1 ILE 228 HG12 -0.64 0.01 -0.15 -0.04 1.49 0.67 1m7yA1 ILE 228 HG13 -0.13 -0.01 -0.30 -0.04 1.21 0.73 1m7yA1 ILE 228 HG23 -0.30 -0.03 -0.27 -0.04 0.93 0.29 1m7yA1 ILE 228 HD13 -0.26 0.01 -0.19 -0.04 0.88 0.40 1m7yA1 SER 229 H -0.01 0.71 0.31 -0.55 8.46 8.93 1m7yA1 SER 229 HA 0.03 0.21 1.02 -0.75 4.49 5.00 1m7yA1 SER 229 HB2 0.03 0.03 -0.02 -0.04 3.95 3.95 1m7yA1 SER 229 HB3 0.07 -0.00 0.25 -0.04 3.93 4.20 1m7yA1 ASP 230 H 0.08 0.88 0.36 -0.55 8.40 9.17 1m7yA1 ASP 230 HA 0.12 0.04 0.75 -0.75 4.63 4.79 1m7yA1 ASP 230 HB2 0.16 0.09 0.09 -0.04 2.71 3.01 1m7yA1 ASP 230 HB3 0.21 0.02 0.32 -0.04 2.70 3.21 1m7yA1 GLU 231 H 0.13 0.72 0.37 -0.55 8.60 9.27 1m7yA1 GLU 231 HA 0.11 0.32 0.82 -0.75 4.29 4.79 1m7yA1 GLU 231 HB2 0.11 0.01 0.20 -0.04 2.09 2.38 1m7yA1 GLU 231 HB3 0.16 0.01 0.27 -0.04 1.99 2.38 1m7yA1 GLU 231 HG2 0.17 -0.01 -0.28 -0.04 2.34 2.18 1m7yA1 GLU 231 HG3 0.14 0.21 0.01 -0.04 2.34 2.65 1m7yA1 ILE 232 H 0.02 0.18 -0.33 -0.55 8.25 7.57 1m7yA1 ILE 232 HA 0.02 0.00 0.46 -0.75 4.18 3.91 1m7yA1 ILE 232 HB -0.14 0.01 -0.02 -0.04 1.89 1.71 1m7yA1 ILE 232 HG12 -0.49 -0.01 -0.05 -0.04 1.49 0.90 1m7yA1 ILE 232 HG13 -0.29 -0.04 0.09 -0.04 1.21 0.93 1m7yA1 ILE 232 HG23 -0.63 0.04 -0.16 -0.04 0.93 0.14 1m7yA1 ILE 232 HD13 -0.26 -0.01 -0.06 -0.04 0.88 0.51 1m7yA1 TYR 233 H -0.01 0.20 -0.47 -0.55 8.29 7.46 1m7yA1 TYR 233 HA -0.05 0.14 0.69 -0.75 4.56 4.59 1m7yA1 TYR 233 HB2 -0.05 0.17 -0.15 -0.04 3.06 2.99 1m7yA1 TYR 233 HB3 -0.10 -0.05 0.01 -0.04 2.98 2.80 1m7yA1 TYR 233 HD2 -0.04 0.11 -0.15 -0.04 7.15 7.02 1m7yA1 TYR 233 HE2 -0.05 0.03 -0.12 -0.04 6.85 6.66 1m7yA1 SER 234 H -0.11 0.54 -0.32 -0.55 8.46 8.03 1m7yA1 SER 234 HA -1.00 0.04 0.36 -0.75 4.49 3.14 1m7yA1 SER 234 HB2 -0.61 0.01 0.03 -0.04 3.95 3.34 1m7yA1 SER 234 HB3 -0.33 0.03 0.22 -0.04 3.93 3.80 1m7yA1 GLY 235 H -0.07 0.06 -0.32 -0.55 8.43 7.56 1m7yA1 GLY 235 HA2 -0.04 0.22 0.60 -0.51 4.01 4.28 1m7yA1 GLY 235 HA3 -0.01 -0.04 0.30 -0.51 4.01 3.75 1m7yA1 THR 236 H -0.04 0.50 -0.40 -0.55 8.28 7.80 1m7yA1 THR 236 HA 0.20 0.29 0.85 -0.75 4.39 4.97 1m7yA1 THR 236 HB 0.14 0.14 0.13 -0.04 4.32 4.69 1m7yA1 THR 236 HG23 0.12 -0.03 -0.22 -0.04 1.22 1.05 1m7yA1 ALA 237 H -0.10 0.23 -0.25 -0.55 8.40 7.74 1m7yA1 ALA 237 HA -0.37 0.10 0.79 -0.75 4.34 4.10 1m7yA1 ALA 237 HB3 -0.14 0.01 0.15 -0.04 1.41 1.39 1m7yA1 PHE 238 H -1.05 0.47 0.35 -0.55 8.34 7.55 1m7yA1 PHE 238 HA -0.44 0.16 0.91 -0.75 4.62 4.50 1m7yA1 PHE 238 HB2 -0.07 0.01 0.20 -0.04 3.15 3.25 1m7yA1 PHE 238 HB3 -0.09 -0.04 0.02 -0.04 3.06 2.91 1m7yA1 PHE 238 HD2 -0.03 0.01 -0.18 -0.04 7.28 7.04 1m7yA1 PHE 238 HE2 0.03 0.09 -0.19 -0.04 7.38 7.27 1m7yA1 PHE 238 HZ 0.04 -0.00 -0.22 -0.04 7.32 7.10 1m7yA1 SER 239 H -0.36 0.40 0.17 -0.55 8.46 8.13 1m7yA1 SER 239 HA 0.01 0.07 0.65 -0.75 4.49 4.46 1m7yA1 SER 239 HB2 -0.04 0.01 0.09 -0.04 3.95 3.97 1m7yA1 SER 239 HB3 0.03 -0.01 0.14 -0.04 3.93 4.05 1m7yA1 SER 240 H -0.01 0.06 0.12 -0.55 8.46 8.09 1m7yA1 SER 240 HA -0.03 0.00 0.24 -0.75 4.49 3.95 1m7yA1 SER 240 HB2 0.00 0.02 0.07 -0.04 3.95 4.00 1m7yA1 SER 240 HB3 -0.00 -0.04 0.06 -0.04 3.93 3.90 1m7yA1 PRO 241 HA -0.01 -0.01 0.35 -0.51 4.44 4.27 1m7yA1 PRO 241 HB2 -0.01 0.05 0.06 -0.04 2.28 2.34 1m7yA1 PRO 241 HB3 -0.00 -0.01 0.11 -0.04 2.02 2.08 1m7yA1 PRO 241 HG2 -0.01 0.03 -0.06 -0.04 2.03 1.95 1m7yA1 PRO 241 HG3 -0.00 -0.00 0.04 -0.04 2.03 2.03 1m7yA1 PRO 241 HD2 -0.02 0.13 0.32 -0.04 3.68 4.06 1m7yA1 PRO 241 HD3 -0.00 0.06 0.12 -0.04 3.65 3.79 1m7yA1 SER 242 H -0.01 0.05 0.11 -0.55 8.46 8.07 1m7yA1 SER 242 HA 0.01 0.15 0.53 -0.75 4.49 4.42 1m7yA1 SER 242 HB2 -0.01 -0.07 0.07 -0.04 3.95 3.90 1m7yA1 SER 242 HB3 0.00 0.16 0.01 -0.04 3.93 4.06 1m7yA1 PHE 243 H 0.14 0.17 0.17 -0.55 8.34 8.26 1m7yA1 PHE 243 HA -0.04 -0.00 0.46 -0.75 4.62 4.28 1m7yA1 PHE 243 HB2 -0.06 0.00 0.11 -0.04 3.15 3.17 1m7yA1 PHE 243 HB3 -0.04 0.08 0.18 -0.04 3.06 3.24 1m7yA1 PHE 243 HD2 -0.02 0.02 -0.08 -0.04 7.28 7.15 1m7yA1 PHE 243 HE2 -0.02 0.04 -0.23 -0.04 7.38 7.14 1m7yA1 PHE 243 HZ -0.01 -0.06 -0.03 -0.04 7.32 7.18 1m7yA1 ILE 244 H -0.44 0.19 0.06 -0.55 8.25 7.51 1m7yA1 ILE 244 HA -0.45 0.19 0.85 -0.75 4.18 4.02 1m7yA1 ILE 244 HB -0.21 -0.01 0.02 -0.04 1.89 1.65 1m7yA1 ILE 244 HG12 -0.13 0.06 -0.18 -0.04 1.49 1.20 1m7yA1 ILE 244 HG13 -0.13 0.18 -0.43 -0.04 1.21 0.79 1m7yA1 ILE 244 HG23 -0.19 0.02 -0.15 -0.04 0.93 0.57 1m7yA1 ILE 244 HD13 -0.06 -0.03 -0.04 -0.04 0.88 0.70 1m7yA1 SER 245 H -0.60 0.21 0.03 -0.55 8.46 7.55 1m7yA1 SER 245 HA -0.33 0.12 0.46 -0.75 4.49 3.98 1m7yA1 SER 245 HB2 -0.04 0.14 0.05 -0.04 3.95 4.06 1m7yA1 SER 245 HB3 -0.12 -0.00 0.05 -0.04 3.93 3.81 1m7yA1 VAL 246 H -0.02 0.20 0.14 -0.55 8.24 8.01 1m7yA1 VAL 246 HA -0.11 0.10 0.32 -0.75 4.13 3.69 1m7yA1 VAL 246 HB -0.01 -0.00 0.07 -0.04 2.12 2.14 1m7yA1 VAL 246 HG13 0.04 0.03 -0.13 -0.04 0.97 0.87 1m7yA1 VAL 246 HG23 -0.04 0.02 -0.05 -0.04 0.95 0.83 1m7yA1 MET 247 H -0.01 0.02 -0.41 -0.55 8.47 7.52 1m7yA1 MET 247 HA -0.03 0.17 0.34 -0.75 4.52 4.25 1m7yA1 MET 247 HB2 -0.05 -0.03 -0.11 -0.04 2.15 1.91 1m7yA1 MET 247 HB3 -0.15 0.08 -0.05 -0.04 2.03 1.86 1m7yA1 MET 247 HG2 0.13 -0.11 -0.11 -0.04 2.63 2.50 1m7yA1 MET 247 HG3 0.18 0.04 -0.13 -0.04 2.56 2.61 1m7yA1 MET 247 HE3 0.39 0.03 -0.15 -0.04 2.10 2.33 1m7yA1 GLU 248 H -0.12 0.34 -0.45 -0.55 8.60 7.82 1m7yA1 GLU 248 HA -0.11 0.16 0.47 -0.75 4.29 4.06 1m7yA1 GLU 248 HB2 -0.14 -0.10 0.04 -0.04 2.09 1.85 1m7yA1 GLU 248 HB3 -0.16 0.05 -0.00 -0.04 1.99 1.84 1m7yA1 GLU 248 HG2 -0.09 -0.02 -0.05 -0.04 2.34 2.14 1m7yA1 GLU 248 HG3 -0.09 0.08 -0.02 -0.04 2.34 2.26 1m7yA1 VAL 249 H -0.15 0.27 -0.21 -0.55 8.24 7.60 1m7yA1 VAL 249 HA -0.16 0.06 0.30 -0.75 4.13 3.57 1m7yA1 VAL 249 HB -0.24 0.13 -0.05 -0.04 2.12 1.91 1m7yA1 VAL 249 HG13 -0.81 -0.01 -0.12 -0.04 0.97 -0.01 1m7yA1 VAL 249 HG23 -0.26 -0.00 -0.06 -0.04 0.95 0.58 1m7yA1 LEU 250 H -0.09 0.15 -0.71 -0.55 8.37 7.17 1m7yA1 LEU 250 HA -0.03 0.06 0.32 -0.75 4.35 3.95 1m7yA1 LEU 250 HB2 -0.02 0.11 -0.05 -0.04 1.64 1.64 1m7yA1 LEU 250 HB3 0.02 -0.00 -0.07 -0.04 1.64 1.55 1m7yA1 LEU 250 HG -0.03 0.08 -0.09 -0.04 1.64 1.56 1m7yA1 LEU 250 HD13 0.07 -0.02 -0.06 -0.04 0.93 0.88 1m7yA1 LEU 250 HD23 0.05 -0.01 -0.14 -0.04 0.89 0.75 1m7yA1 LYS 251 H -0.08 0.32 -0.52 -0.55 8.42 7.59 1m7yA1 LYS 251 HA -0.09 -0.00 0.35 -0.75 4.32 3.83 1m7yA1 LYS 251 HB2 -0.07 0.22 0.25 -0.04 1.87 2.23 1m7yA1 LYS 251 HB3 -0.07 -0.07 0.09 -0.04 1.79 1.70 1m7yA1 LYS 251 HG2 -0.10 0.12 0.21 -0.04 1.46 1.64 1m7yA1 LYS 251 HG3 -0.09 0.06 0.15 -0.04 1.46 1.54 1m7yA1 LYS 251 HD2 -0.11 -0.05 0.06 -0.04 1.69 1.55 1m7yA1 LYS 251 HD3 -0.13 -0.06 0.10 -0.04 1.68 1.55 1m7yA1 LYS 251 HE2 -0.08 -0.06 0.01 -0.04 2.99 2.82 1m7yA1 LYS 251 HE3 -0.09 -0.07 0.03 -0.04 2.99 2.82 1m7yA1 ASP 252 H -0.03 0.24 -0.02 -0.55 8.40 8.03 1m7yA1 ASP 252 HA -0.04 0.01 0.85 -0.75 4.63 4.70 1m7yA1 ASP 252 HB2 -0.03 0.01 0.07 -0.04 2.71 2.72 1m7yA1 ASP 252 HB3 -0.01 0.03 0.19 -0.04 2.70 2.88 1m7yA1 ARG 253 H -0.02 -0.17 0.19 -0.55 8.46 7.91 1m7yA1 ARG 253 HA 0.03 0.07 0.33 -0.75 4.34 4.02 1m7yA1 ARG 253 HB2 0.12 -0.05 0.10 -0.04 1.90 2.02 1m7yA1 ARG 253 HB3 0.11 0.28 -0.19 -0.04 1.80 1.96 1m7yA1 ARG 253 HG2 -0.00 0.12 -0.45 -0.04 1.67 1.30 1m7yA1 ARG 253 HG3 0.02 -0.08 -0.40 -0.04 1.67 1.17 1m7yA1 ARG 253 HD2 -0.00 0.46 -0.11 -0.04 3.22 3.52 1m7yA1 ARG 253 HD3 0.02 -0.08 -0.15 -0.04 3.22 2.98 1m7yA1 ASN 254 H -0.03 -0.05 0.22 -0.55 8.53 8.12 1m7yA1 ASN 254 HA -0.06 -0.02 0.40 -0.75 4.76 4.33 1m7yA1 ASN 254 HB2 -0.02 -0.03 -0.12 -0.04 2.88 2.66 1m7yA1 ASN 254 HB3 -0.01 0.22 0.19 -0.04 2.79 3.15 1m7yA1 ASN 254 HD21 -0.02 -0.01 0.06 -0.04 7.03 7.02 1m7yA1 ASN 254 HD22 -0.02 0.05 0.13 -0.04 7.74 7.86 1m7yA1 CYS 255 H -0.08 0.03 0.05 -0.55 8.50 7.95 1m7yA1 CYS 255 HA -0.07 0.25 0.59 -0.75 4.58 4.60 1m7yA1 CYS 255 HB2 0.02 0.09 -0.37 -0.04 2.97 2.67 1m7yA1 CYS 255 HB3 -0.00 0.15 -0.12 -0.04 2.97 2.95 1m7yA1 ASP 256 H -0.18 -0.11 0.20 -0.55 8.40 7.77 1m7yA1 ASP 256 HA -0.34 0.15 0.45 -0.75 4.63 4.14 1m7yA1 ASP 256 HB2 -0.21 -0.13 0.16 -0.04 2.71 2.48 1m7yA1 ASP 256 HB3 -0.22 0.04 0.09 -0.04 2.70 2.57 1m7yA1 GLU 257 H -0.33 -0.08 -0.05 -0.55 8.60 7.60 1m7yA1 GLU 257 HA -0.88 0.26 0.77 -0.75 4.29 3.68 1m7yA1 GLU 257 HB2 -0.21 -0.08 0.00 -0.04 2.09 1.76 1m7yA1 GLU 257 HB3 -0.21 0.01 0.11 -0.04 1.99 1.87 1m7yA1 GLU 257 HG2 -0.15 -0.03 -0.02 -0.04 2.34 2.10 1m7yA1 GLU 257 HG3 -0.25 0.07 0.03 -0.04 2.34 2.15 1m7yA1 ASN 258 H -0.30 -0.17 -0.32 -0.55 8.53 7.19 1m7yA1 ASN 258 HA -0.07 0.19 0.81 -0.75 4.76 4.94 1m7yA1 ASN 258 HB2 -0.09 -0.10 -0.07 -0.04 2.88 2.58 1m7yA1 ASN 258 HB3 -0.07 0.21 -0.28 -0.04 2.79 2.60 1m7yA1 ASN 258 HD21 -0.01 -0.00 0.06 -0.04 7.03 7.04 1m7yA1 ASN 258 HD22 -0.03 -0.02 0.03 -0.04 7.74 7.67 1m7yA1 SER 259 H 0.04 0.05 0.15 -0.55 8.46 8.16 1m7yA1 SER 259 HA 0.09 0.03 0.38 -0.75 4.49 4.23 1m7yA1 SER 259 HB2 0.06 0.10 -0.01 -0.04 3.95 4.06 1m7yA1 SER 259 HB3 0.14 0.24 0.10 -0.04 3.93 4.36 1m7yA1 GLU 260 H 0.12 0.02 0.23 -0.55 8.60 8.42 1m7yA1 GLU 260 HA 0.21 0.27 0.86 -0.75 4.29 4.88 1m7yA1 GLU 260 HB2 -0.07 0.03 0.09 -0.04 2.09 2.11 1m7yA1 GLU 260 HB3 0.06 0.04 -0.08 -0.04 1.99 1.97 1m7yA1 GLU 260 HG2 0.02 -0.06 0.01 -0.04 2.34 2.27 1m7yA1 GLU 260 HG3 -0.02 0.04 -0.11 -0.04 2.34 2.21 1m7yA1 VAL 261 H 0.10 0.00 0.18 -0.55 8.24 7.97 1m7yA1 VAL 261 HA -0.08 0.20 0.41 -0.75 4.13 3.92 1m7yA1 VAL 261 HB 0.00 0.01 0.12 -0.04 2.12 2.22 1m7yA1 VAL 261 HG13 0.09 0.00 -0.05 -0.04 0.97 0.97 1m7yA1 VAL 261 HG23 -0.03 0.05 -0.08 -0.04 0.95 0.85 1m7yA1 TRP 262 H 0.38 0.15 -0.28 -0.55 7.97 7.67 1m7yA1 TRP 262 HA -0.06 0.03 0.33 -0.75 4.62 4.16 1m7yA1 TRP 262 HB2 -0.04 -0.01 0.05 -0.04 3.23 3.19 1m7yA1 TRP 262 HB3 -0.03 0.09 0.06 -0.04 3.23 3.31 1m7yA1 TRP 262 HD1 -0.02 -0.10 -0.06 -0.04 7.22 6.99 1m7yA1 TRP 262 HE1 -0.02 -0.06 -0.02 -0.04 10.20 10.06 1m7yA1 TRP 262 HE3 -0.02 -0.09 -0.34 -0.04 7.59 7.09 1m7yA1 TRP 262 HZ2 0.00 -0.06 0.01 -0.04 7.44 7.35 1m7yA1 TRP 262 HZ3 -0.01 0.20 -0.04 -0.04 7.13 7.24 1m7yA1 TRP 262 HH2 0.00 -0.06 -0.02 -0.04 7.19 7.07 1m7yA1 GLN 263 H -0.68 0.27 -0.51 -0.55 8.47 7.00 1m7yA1 GLN 263 HA -0.82 0.00 0.40 -0.75 4.36 3.19 1m7yA1 GLN 263 HB2 -0.61 0.28 0.08 -0.04 2.15 1.86 1m7yA1 GLN 263 HB3 -0.44 -0.07 0.04 -0.04 2.02 1.51 1m7yA1 GLN 263 HG2 -3.16 0.00 -0.05 -0.04 2.40 -0.85 1m7yA1 GLN 263 HG3 -0.98 0.01 0.03 -0.04 2.39 1.41 1m7yA1 GLN 263 HE21 -0.06 0.21 -0.00 -0.04 6.97 7.08 1m7yA1 GLN 263 HE22 -0.97 0.03 -0.09 -0.04 7.69 6.62 1m7yA1 ARG 264 H -0.26 0.49 -0.44 -0.55 8.46 7.71 1m7yA1 ARG 264 HA 0.00 0.15 0.88 -0.75 4.34 4.62 1m7yA1 ARG 264 HB2 -0.21 0.08 0.11 -0.04 1.90 1.83 1m7yA1 ARG 264 HB3 -0.41 -0.05 0.14 -0.04 1.80 1.43 1m7yA1 ARG 264 HG2 -0.28 -0.03 -0.24 -0.04 1.67 1.09 1m7yA1 ARG 264 HG3 -0.25 0.02 -0.09 -0.04 1.67 1.31 1m7yA1 ARG 264 HD2 -0.88 -0.02 -0.27 -0.04 3.22 2.01 1m7yA1 ARG 264 HD3 -0.30 -0.03 -0.13 -0.04 3.22 2.71 1m7yA1 VAL 265 H -0.33 0.33 -0.22 -0.55 8.24 7.46 1m7yA1 VAL 265 HA -0.20 0.24 1.08 -0.75 4.13 4.49 1m7yA1 VAL 265 HB -0.06 0.05 0.12 -0.04 2.12 2.20 1m7yA1 VAL 265 HG13 -0.02 -0.03 -0.18 -0.04 0.97 0.70 1m7yA1 VAL 265 HG23 -0.05 0.05 -0.12 -0.04 0.95 0.79 1m7yA1 HIS 266 H -0.10 0.72 0.46 -0.55 8.41 8.94 1m7yA1 HIS 266 HA 0.14 0.21 1.08 -0.75 4.63 5.31 1m7yA1 HIS 266 HB2 -0.62 -0.10 0.00 -0.04 3.26 2.51 1m7yA1 HIS 266 HB3 0.05 0.08 0.14 -0.04 3.20 3.43 1m7yA1 HIS 266 HD2 -0.12 0.02 -0.23 -0.04 6.97 6.59 1m7yA1 HIS 266 HE1 0.11 0.05 0.02 -0.04 7.75 7.88 1m7yA1 VAL 267 H 0.38 0.68 0.40 -0.55 8.24 9.15 1m7yA1 VAL 267 HA 0.13 0.22 1.18 -0.75 4.13 4.91 1m7yA1 VAL 267 HB 0.31 -0.00 0.05 -0.04 2.12 2.44 1m7yA1 VAL 267 HG13 0.12 -0.01 -0.15 -0.04 0.97 0.89 1m7yA1 VAL 267 HG23 0.19 -0.01 -0.17 -0.04 0.95 0.91 1m7yA1 VAL 268 H 0.16 0.58 0.42 -0.55 8.24 8.84 1m7yA1 VAL 268 HA 0.27 0.38 1.06 -0.75 4.13 5.09 1m7yA1 VAL 268 HB 0.16 -0.10 0.10 -0.04 2.12 2.24 1m7yA1 VAL 268 HG13 0.15 -0.02 -0.07 -0.04 0.97 0.99 1m7yA1 VAL 268 HG23 0.34 0.02 -0.20 -0.04 0.95 1.07 1m7yA1 TYR 269 H 0.17 0.67 0.36 -0.55 8.29 8.94 1m7yA1 TYR 269 HA -0.02 0.04 0.63 -0.75 4.56 4.46 1m7yA1 TYR 269 HB2 -0.04 0.07 -0.27 -0.04 3.06 2.77 1m7yA1 TYR 269 HB3 -0.03 0.04 -0.14 -0.04 2.98 2.81 1m7yA1 TYR 269 HD2 -0.07 0.04 -0.10 -0.04 7.15 6.98 1m7yA1 TYR 269 HE2 -0.01 -0.01 -0.03 -0.04 6.85 6.76 1m7yA1 SER 270 H -1.24 0.40 0.25 -0.55 8.46 7.32 1m7yA1 SER 270 HA -0.33 0.30 0.68 -0.75 4.49 4.38 1m7yA1 SER 270 HB2 -0.12 0.01 0.19 -0.04 3.95 3.99 1m7yA1 SER 270 HB3 -0.22 -0.03 -0.08 -0.04 3.93 3.56 1m7yA1 LEU 271 H -0.18 0.58 0.27 -0.55 8.37 8.50 1m7yA1 LEU 271 HA -0.19 0.18 0.84 -0.75 4.35 4.42 1m7yA1 LEU 271 HB2 -0.03 0.04 0.06 -0.04 1.64 1.67 1m7yA1 LEU 271 HB3 -0.06 -0.01 0.14 -0.04 1.64 1.68 1m7yA1 LEU 271 HG -0.05 0.03 -0.09 -0.04 1.64 1.50 1m7yA1 LEU 271 HD13 0.11 0.02 -0.05 -0.04 0.93 0.97 1m7yA1 LEU 271 HD23 0.05 0.03 -0.13 -0.04 0.89 0.80 1m7yA1 SER 272 H -0.17 0.08 -0.24 -0.55 8.46 7.58 1m7yA1 SER 272 HA -0.07 0.01 0.12 -0.75 4.49 3.79 1m7yA1 SER 272 HB2 -0.13 -0.02 0.04 -0.04 3.95 3.79 1m7yA1 SER 272 HB3 -0.07 0.12 -0.02 -0.04 3.93 3.92 1m7yA1 LYS 273 H -0.16 0.09 -0.17 -0.55 8.42 7.62 1m7yA1 LYS 273 HA -0.05 0.24 0.84 -0.75 4.32 4.61 1m7yA1 LYS 273 HB2 -0.27 0.13 -0.03 -0.04 1.87 1.66 1m7yA1 LYS 273 HB3 0.01 0.05 -0.11 -0.04 1.79 1.70 1m7yA1 LYS 273 HG2 -0.31 -0.16 -0.10 -0.04 1.46 0.85 1m7yA1 LYS 273 HG3 -0.65 0.01 -0.14 -0.04 1.46 0.64 1m7yA1 LYS 273 HD2 0.06 0.18 -0.09 -0.04 1.69 1.80 1m7yA1 LYS 273 HD3 -0.06 0.01 -0.45 -0.04 1.68 1.15 1m7yA1 LYS 273 HE2 -0.12 -0.17 -0.11 -0.04 2.99 2.55 1m7yA1 LYS 273 HE3 -0.09 -0.03 -0.06 -0.04 2.99 2.78 1m7yA1 ASP 274 H -0.03 0.07 -0.01 -0.55 8.40 7.88 1m7yA1 ASP 274 HA 0.10 0.21 0.53 -0.75 4.63 4.71 1m7yA1 ASP 274 HB2 0.20 0.13 -0.05 -0.04 2.71 2.94 1m7yA1 ASP 274 HB3 0.10 -0.06 -0.02 -0.04 2.70 2.69 1m7yA1 LEU 275 H -0.01 0.04 -0.07 -0.55 8.37 7.79 1m7yA1 LEU 275 HA -0.17 0.19 0.53 -0.75 4.35 4.14 1m7yA1 LEU 275 HB2 -0.11 0.05 0.08 -0.04 1.64 1.62 1m7yA1 LEU 275 HB3 -0.23 0.02 0.04 -0.04 1.64 1.42 1m7yA1 LEU 275 HG -0.07 -0.06 -0.05 -0.04 1.64 1.42 1m7yA1 LEU 275 HD13 -0.31 -0.00 -0.02 -0.04 0.93 0.55 1m7yA1 LEU 275 HD23 -0.96 0.03 -0.07 -0.04 0.89 -0.15 1m7yA1 GLY 276 H -0.05 -0.07 -0.73 -0.55 8.43 7.04 1m7yA1 GLY 276 HA2 -0.05 0.12 0.34 -0.51 4.01 3.91 1m7yA1 GLY 276 HA3 -0.18 0.17 0.44 -0.51 4.01 3.93 1m7yA1 LEU 277 H -0.08 0.26 -0.09 -0.55 8.37 7.91 1m7yA1 LEU 277 HA -0.27 0.26 0.89 -0.75 4.35 4.47 1m7yA1 LEU 277 HB2 -0.10 -0.06 -0.01 -0.04 1.64 1.43 1m7yA1 LEU 277 HB3 -0.45 -0.07 0.08 -0.04 1.64 1.17 1m7yA1 LEU 277 HG -0.10 0.03 -0.43 -0.04 1.64 1.09 1m7yA1 LEU 277 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.82 1m7yA1 LEU 277 HD23 -0.18 0.05 -0.17 -0.04 0.89 0.56 1m7yA1 PRO 278 HA -0.01 -0.09 0.42 -0.51 4.44 4.25 1m7yA1 PRO 278 HB2 0.03 0.08 -0.03 -0.04 2.28 2.32 1m7yA1 PRO 278 HB3 -0.01 -0.02 0.09 -0.04 2.02 2.03 1m7yA1 PRO 278 HG2 0.01 0.02 0.02 -0.04 2.03 2.04 1m7yA1 PRO 278 HG3 0.02 0.08 0.01 -0.04 2.03 2.09 1m7yA1 PRO 278 HD2 -0.00 0.44 -0.35 -0.04 3.68 3.72 1m7yA1 PRO 278 HD3 -0.02 0.32 -0.03 -0.04 3.65 3.88 1m7yA1 GLY 279 H -0.08 0.19 -0.26 -0.55 8.43 7.73 1m7yA1 GLY 279 HA2 0.09 0.11 0.36 -0.51 4.01 4.07 1m7yA1 GLY 279 HA3 0.06 0.07 0.25 -0.51 4.01 3.89 1m7yA1 PHE 280 H 0.03 0.29 -0.41 -0.55 8.34 7.70 1m7yA1 PHE 280 HA 0.02 0.15 0.54 -0.75 4.62 4.57 1m7yA1 PHE 280 HB2 -0.00 0.06 0.02 -0.04 3.15 3.19 1m7yA1 PHE 280 HB3 -0.02 -0.04 0.03 -0.04 3.06 2.99 1m7yA1 PHE 280 HD2 -0.01 0.00 -0.26 -0.04 7.28 6.97 1m7yA1 PHE 280 HE2 -0.01 0.02 -0.07 -0.04 7.38 7.28 1m7yA1 PHE 280 HZ -0.01 0.03 -0.04 -0.04 7.32 7.25 1m7yA1 ARG 281 H 0.13 0.30 -0.35 -0.55 8.46 7.98 1m7yA1 ARG 281 HA 0.08 -0.05 0.23 -0.75 4.34 3.85 1m7yA1 ARG 281 HB2 0.10 0.13 0.05 -0.04 1.90 2.14 1m7yA1 ARG 281 HB3 0.09 -0.09 -0.01 -0.04 1.80 1.74 1m7yA1 ARG 281 HG2 0.12 0.14 -0.36 -0.04 1.67 1.53 1m7yA1 ARG 281 HG3 0.10 0.03 -0.08 -0.04 1.67 1.68 1m7yA1 ARG 281 HD2 0.10 0.27 0.06 -0.04 3.22 3.60 1m7yA1 ARG 281 HD3 0.11 0.01 -0.02 -0.04 3.22 3.27 1m7yA1 VAL 282 H 0.07 0.06 -0.07 -0.55 8.24 7.75 1m7yA1 VAL 282 HA 0.12 0.36 1.05 -0.75 4.13 4.91 1m7yA1 VAL 282 HB 0.08 -0.19 0.13 -0.04 2.12 2.10 1m7yA1 VAL 282 HG13 0.28 0.02 -0.14 -0.04 0.97 1.09 1m7yA1 VAL 282 HG23 0.15 0.03 -0.22 -0.04 0.95 0.87 1m7yA1 GLY 283 H 0.07 0.86 0.39 -0.55 8.43 9.21 1m7yA1 GLY 283 HA2 -0.05 0.10 1.02 -0.51 4.01 4.57 1m7yA1 GLY 283 HA3 0.02 -0.02 -0.00 -0.51 4.01 3.50 1m7yA1 ALA 284 H 0.04 0.46 0.27 -0.55 8.40 8.62 1m7yA1 ALA 284 HA 0.05 0.36 0.79 -0.75 4.34 4.78 1m7yA1 ALA 284 HB3 0.10 -0.00 -0.24 -0.04 1.41 1.22 1m7yA1 ILE 285 H 0.04 0.72 0.34 -0.55 8.25 8.80 1m7yA1 ILE 285 HA 0.22 0.18 0.98 -0.75 4.18 4.80 1m7yA1 ILE 285 HB -0.15 0.07 0.10 -0.04 1.89 1.87 1m7yA1 ILE 285 HG12 -0.45 0.02 -0.03 -0.04 1.49 0.98 1m7yA1 ILE 285 HG13 -0.09 -0.17 -0.21 -0.04 1.21 0.71 1m7yA1 ILE 285 HG23 -0.39 0.01 -0.25 -0.04 0.93 0.25 1m7yA1 ILE 285 HD13 -0.47 0.06 -0.09 -0.04 0.88 0.33 1m7yA1 TYR 286 H 0.44 0.63 0.35 -0.55 8.29 9.16 1m7yA1 TYR 286 HA 0.17 0.43 1.02 -0.75 4.56 5.43 1m7yA1 TYR 286 HB2 0.09 -0.06 -0.15 -0.04 3.06 2.89 1m7yA1 TYR 286 HB3 0.22 -0.12 0.07 -0.04 2.98 3.11 1m7yA1 TYR 286 HD2 0.23 -0.05 -0.24 -0.04 7.15 7.04 1m7yA1 TYR 286 HE2 0.21 0.11 -0.16 -0.04 6.85 6.96 1m7yA1 SER 287 H -0.38 0.61 0.25 -0.55 8.46 8.39 1m7yA1 SER 287 HA 0.26 0.18 0.85 -0.75 4.49 5.03 1m7yA1 SER 287 HB2 0.42 0.04 -0.18 -0.04 3.95 4.19 1m7yA1 SER 287 HB3 0.10 0.03 -0.04 -0.04 3.93 3.98 1m7yA1 ASN 288 H 0.08 0.34 0.21 -0.55 8.53 8.61 1m7yA1 ASN 288 HA 0.05 0.10 0.66 -0.75 4.76 4.81 1m7yA1 ASN 288 HB2 -0.12 0.12 0.09 -0.04 2.88 2.93 1m7yA1 ASN 288 HB3 0.23 -0.02 0.10 -0.04 2.79 3.06 1m7yA1 ASN 288 HD21 0.20 -0.12 0.04 -0.04 7.03 7.11 1m7yA1 ASN 288 HD22 0.07 0.51 0.20 -0.04 7.74 8.49 1m7yA1 ASP 289 H 0.11 0.06 -0.08 -0.55 8.40 7.95 1m7yA1 ASP 289 HA -0.02 0.13 0.72 -0.75 4.63 4.70 1m7yA1 ASP 289 HB2 0.03 0.39 0.20 -0.04 2.71 3.28 1m7yA1 ASP 289 HB3 0.12 -0.08 0.19 -0.04 2.70 2.89 1m7yA1 ASP 290 H 0.05 0.26 0.20 -0.55 8.40 8.36 1m7yA1 ASP 290 HA -0.10 0.12 0.31 -0.75 4.63 4.20 1m7yA1 ASP 290 HB2 0.01 -0.02 0.13 -0.04 2.71 2.79 1m7yA1 ASP 290 HB3 -0.02 0.02 0.00 -0.04 2.70 2.66 1m7yA1 MET 291 H -0.01 0.11 -0.18 -0.55 8.47 7.84 1m7yA1 MET 291 HA -0.04 0.09 0.48 -0.75 4.52 4.29 1m7yA1 MET 291 HB2 -0.01 0.01 0.04 -0.04 2.15 2.16 1m7yA1 MET 291 HB3 -0.02 0.09 0.00 -0.04 2.03 2.06 1m7yA1 MET 291 HG2 -0.01 0.03 0.02 -0.04 2.63 2.62 1m7yA1 MET 291 HG3 -0.01 -0.09 0.03 -0.04 2.56 2.44 1m7yA1 MET 291 HE3 -0.01 0.02 -0.00 -0.04 2.10 2.06 1m7yA1 VAL 292 H -0.01 0.14 -0.24 -0.55 8.24 7.58 1m7yA1 VAL 292 HA -0.06 0.13 0.42 -0.75 4.13 3.87 1m7yA1 VAL 292 HB 0.05 0.06 0.09 -0.04 2.12 2.28 1m7yA1 VAL 292 HG13 -0.03 0.01 -0.17 -0.04 0.97 0.73 1m7yA1 VAL 292 HG23 0.02 0.02 0.00 -0.04 0.95 0.95 1m7yA1 VAL 293 H -0.07 0.46 -0.17 -0.55 8.24 7.90 1m7yA1 VAL 293 HA -0.14 0.02 0.27 -0.75 4.13 3.53 1m7yA1 VAL 293 HB -0.19 0.07 0.10 -0.04 2.12 2.06 1m7yA1 VAL 293 HG13 -0.17 0.04 -0.14 -0.04 0.97 0.65 1m7yA1 VAL 293 HG23 -0.19 0.03 -0.04 -0.04 0.95 0.71 1m7yA1 ALA 294 H -0.10 0.49 -0.18 -0.55 8.40 8.06 1m7yA1 ALA 294 HA -0.15 0.02 0.39 -0.75 4.34 3.84 1m7yA1 ALA 294 HB3 -0.07 0.02 0.10 -0.04 1.41 1.41 1m7yA1 ALA 295 H -0.10 0.56 -0.15 -0.55 8.40 8.16 1m7yA1 ALA 295 HA -0.11 -0.00 0.44 -0.75 4.34 3.92 1m7yA1 ALA 295 HB3 -0.08 0.02 0.10 -0.04 1.41 1.42 1m7yA1 ALA 296 H -0.16 0.75 -0.11 -0.55 8.40 8.33 1m7yA1 ALA 296 HA -0.15 0.01 0.34 -0.75 4.34 3.78 1m7yA1 ALA 296 HB3 -0.26 0.00 -0.02 -0.04 1.41 1.09 1m7yA1 THR 297 H -0.23 0.57 -0.30 -0.55 8.28 7.78 1m7yA1 THR 297 HA -0.27 0.04 0.43 -0.75 4.39 3.84 1m7yA1 THR 297 HB -0.42 0.11 0.17 -0.04 4.32 4.14 1m7yA1 THR 297 HG23 -0.98 0.02 -0.18 -0.04 1.22 0.04 1m7yA1 LYS 298 H -0.35 0.52 -0.11 -0.55 8.42 7.93 1m7yA1 LYS 298 HA -0.52 -0.03 0.45 -0.75 4.32 3.47 1m7yA1 LYS 298 HB2 -0.17 0.16 0.15 -0.04 1.87 1.97 1m7yA1 LYS 298 HB3 -0.13 -0.06 0.05 -0.04 1.79 1.61 1m7yA1 LYS 298 HG2 -0.21 -0.09 0.05 -0.04 1.46 1.16 1m7yA1 LYS 298 HG3 -0.32 0.19 0.12 -0.04 1.46 1.41 1m7yA1 LYS 298 HD2 -0.10 0.03 -0.01 -0.04 1.69 1.58 1m7yA1 LYS 298 HD3 -0.06 -0.05 0.01 -0.04 1.68 1.54 1m7yA1 LYS 298 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 1m7yA1 LYS 298 HE3 -0.11 0.04 -0.05 -0.04 2.99 2.83 1m7yA1 MET 299 H -0.16 0.49 -0.26 -0.55 8.47 8.00 1m7yA1 MET 299 HA 0.03 0.03 0.47 -0.75 4.52 4.29 1m7yA1 MET 299 HB2 -0.07 0.10 0.12 -0.04 2.15 2.26 1m7yA1 MET 299 HB3 0.03 -0.08 -0.05 -0.04 2.03 1.88 1m7yA1 MET 299 HG2 0.03 -0.06 0.02 -0.04 2.63 2.58 1m7yA1 MET 299 HG3 -0.04 0.05 -0.02 -0.04 2.56 2.52 1m7yA1 MET 299 HE3 -0.03 0.01 -0.20 -0.04 2.10 1.84 1m7yA1 SER 300 H -0.14 0.48 -0.36 -0.55 8.46 7.89 1m7yA1 SER 300 HA -0.00 -0.04 0.34 -0.75 4.49 4.04 1m7yA1 SER 300 HB2 -0.01 0.03 0.14 -0.04 3.95 4.06 1m7yA1 SER 300 HB3 -0.08 0.06 0.11 -0.04 3.93 3.98 1m7yA1 SER 301 H -0.18 0.40 -0.61 -0.55 8.46 7.53 1m7yA1 SER 301 HA -0.10 -0.01 0.33 -0.75 4.49 3.96 1m7yA1 SER 301 HB2 -0.65 0.12 0.09 -0.04 3.95 3.46 1m7yA1 SER 301 HB3 -0.36 -0.08 0.05 -0.04 3.93 3.50 1m7yA1 PHE 302 H -0.16 0.47 -0.41 -0.55 8.34 7.69 1m7yA1 PHE 302 HA -0.02 0.08 0.59 -0.75 4.62 4.52 1m7yA1 PHE 302 HB2 -0.04 0.10 0.04 -0.04 3.15 3.20 1m7yA1 PHE 302 HB3 -0.03 -0.06 0.12 -0.04 3.06 3.05 1m7yA1 PHE 302 HD2 -0.08 0.09 0.06 -0.04 7.28 7.31 1m7yA1 PHE 302 HE2 -0.10 -0.02 -0.01 -0.04 7.38 7.21 1m7yA1 PHE 302 HZ -0.09 -0.02 -0.01 -0.04 7.32 7.15 1m7yA1 GLY 303 H 0.05 0.66 -0.40 -0.55 8.43 8.19 1m7yA1 GLY 303 HA2 0.08 0.11 0.61 -0.51 4.01 4.31 1m7yA1 GLY 303 HA3 0.09 -0.13 0.36 -0.51 4.01 3.82 1m7yA1 LEU 304 H 0.03 0.16 -0.00 -0.55 8.37 8.01 1m7yA1 LEU 304 HA 0.05 0.11 0.49 -0.75 4.35 4.25 1m7yA1 LEU 304 HB2 0.02 -0.04 -0.01 -0.04 1.64 1.57 1m7yA1 LEU 304 HB3 0.04 -0.01 -0.02 -0.04 1.64 1.61 1m7yA1 LEU 304 HG -0.02 0.11 0.01 -0.04 1.64 1.71 1m7yA1 LEU 304 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.79 1m7yA1 LEU 304 HD23 0.03 -0.01 -0.16 -0.04 0.89 0.71 1m7yA1 VAL 305 H 0.09 0.11 0.05 -0.55 8.24 7.94 1m7yA1 VAL 305 HA 0.07 0.19 0.67 -0.75 4.13 4.30 1m7yA1 VAL 305 HB 0.14 -0.08 0.05 -0.04 2.12 2.18 1m7yA1 VAL 305 HG13 0.06 0.05 -0.08 -0.04 0.97 0.95 1m7yA1 VAL 305 HG23 0.13 0.05 -0.03 -0.04 0.95 1.06 1m7yA1 SER 306 H 0.03 0.21 0.15 -0.55 8.46 8.30 1m7yA1 SER 306 HA 0.03 0.15 0.41 -0.75 4.49 4.32 1m7yA1 SER 306 HB2 0.01 0.17 0.16 -0.04 3.95 4.24 1m7yA1 SER 306 HB3 -0.03 -0.03 0.18 -0.04 3.93 4.01 1m7yA1 SER 307 H 0.05 0.31 0.24 -0.55 8.46 8.51 1m7yA1 SER 307 HA 0.06 0.02 0.44 -0.75 4.49 4.26 1m7yA1 SER 307 HB2 0.10 -0.12 0.16 -0.04 3.95 4.05 1m7yA1 SER 307 HB3 0.22 0.30 0.25 -0.04 3.93 4.65 1m7yA1 GLN 308 H 0.03 0.12 -0.20 -0.55 8.47 7.88 1m7yA1 GLN 308 HA 0.09 0.10 0.43 -0.75 4.36 4.21 1m7yA1 GLN 308 HB2 0.21 0.06 0.07 -0.04 2.15 2.45 1m7yA1 GLN 308 HB3 0.01 -0.04 0.06 -0.04 2.02 2.01 1m7yA1 GLN 308 HG2 -0.15 -0.02 -0.29 -0.04 2.40 1.89 1m7yA1 GLN 308 HG3 -0.20 0.03 0.02 -0.04 2.39 2.21 1m7yA1 GLN 308 HE21 0.09 0.02 -0.00 -0.04 6.97 7.04 1m7yA1 GLN 308 HE22 -0.15 0.05 0.01 -0.04 7.69 7.56 1m7yA1 THR 309 H -0.10 0.14 -0.29 -0.55 8.28 7.48 1m7yA1 THR 309 HA -0.29 0.05 0.43 -0.75 4.39 3.83 1m7yA1 THR 309 HB -0.13 0.16 0.09 -0.04 4.32 4.40 1m7yA1 THR 309 HG23 -0.17 0.02 -0.11 -0.04 1.22 0.91 1m7yA1 GLN 310 H -0.18 0.57 -0.11 -0.55 8.47 8.21 1m7yA1 GLN 310 HA -1.22 0.01 0.35 -0.75 4.36 2.74 1m7yA1 GLN 310 HB2 -0.10 0.10 0.14 -0.04 2.15 2.25 1m7yA1 GLN 310 HB3 -0.16 -0.12 0.01 -0.04 2.02 1.70 1m7yA1 GLN 310 HG2 -0.06 -0.05 -0.04 -0.04 2.40 2.21 1m7yA1 GLN 310 HG3 -0.03 0.28 -0.21 -0.04 2.39 2.40 1m7yA1 GLN 310 HE21 0.28 -0.02 -0.01 -0.04 6.97 7.17 1m7yA1 GLN 310 HE22 0.14 0.48 -0.17 -0.04 7.69 8.10 1m7yA1 HIS 311 H -0.08 0.58 -0.28 -0.55 8.41 8.09 1m7yA1 HIS 311 HA -0.14 -0.03 0.41 -0.75 4.63 4.12 1m7yA1 HIS 311 HB2 -0.09 0.02 0.11 -0.04 3.26 3.27 1m7yA1 HIS 311 HB3 -0.12 0.16 0.16 -0.04 3.20 3.36 1m7yA1 HIS 311 HD2 -0.05 -0.06 0.00 -0.04 6.97 6.82 1m7yA1 HIS 311 HE1 0.01 0.18 -0.05 -0.04 7.75 7.84 1m7yA1 LEU 312 H -0.17 0.51 -0.10 -0.55 8.37 8.06 1m7yA1 LEU 312 HA -0.21 -0.02 0.33 -0.75 4.35 3.70 1m7yA1 LEU 312 HB2 -0.17 0.09 0.06 -0.04 1.64 1.58 1m7yA1 LEU 312 HB3 -0.21 0.06 0.16 -0.04 1.64 1.61 1m7yA1 LEU 312 HG -0.09 -0.04 -0.30 -0.04 1.64 1.17 1m7yA1 LEU 312 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.90 1m7yA1 LEU 312 HD23 -0.08 0.01 -0.04 -0.04 0.89 0.73 1m7yA1 LEU 313 H -0.33 0.66 -0.13 -0.55 8.37 8.03 1m7yA1 LEU 313 HA -0.21 0.00 0.47 -0.75 4.35 3.86 1m7yA1 LEU 313 HB2 -0.49 0.11 0.03 -0.04 1.64 1.24 1m7yA1 LEU 313 HB3 0.03 -0.06 0.03 -0.04 1.64 1.60 1m7yA1 LEU 313 HG -0.16 0.13 0.05 -0.04 1.64 1.62 1m7yA1 LEU 313 HD13 0.08 -0.02 -0.06 -0.04 0.93 0.89 1m7yA1 LEU 313 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.73 1m7yA1 SER 314 H -0.26 0.44 -0.39 -0.55 8.46 7.71 1m7yA1 SER 314 HA 0.23 0.02 0.40 -0.75 4.49 4.38 1m7yA1 SER 314 HB2 0.09 -0.09 -0.25 -0.04 3.95 3.66 1m7yA1 SER 314 HB3 0.05 0.12 0.07 -0.04 3.93 4.13 1m7yA1 ALA 315 H -0.19 0.46 -0.19 -0.55 8.40 7.93 1m7yA1 ALA 315 HA 0.01 0.03 0.43 -0.75 4.34 4.06 1m7yA1 ALA 315 HB3 0.04 0.03 0.13 -0.04 1.41 1.57 1m7yA1 MET 316 H -0.31 0.45 -0.04 -0.55 8.47 8.03 1m7yA1 MET 316 HA -1.66 0.03 0.41 -0.75 4.52 2.55 1m7yA1 MET 316 HB2 -0.65 0.00 0.11 -0.04 2.15 1.57 1m7yA1 MET 316 HB3 -0.46 0.00 0.14 -0.04 2.03 1.67 1m7yA1 MET 316 HG2 -0.74 -0.01 -0.14 -0.04 2.63 1.69 1m7yA1 MET 316 HG3 -1.48 -0.01 0.03 -0.04 2.56 1.06 1m7yA1 MET 316 HE3 -0.07 0.00 -0.02 -0.04 2.10 1.97 1m7yA1 LEU 317 H -0.25 0.74 -0.05 -0.55 8.37 8.26 1m7yA1 LEU 317 HA -0.36 0.03 0.41 -0.75 4.35 3.68 1m7yA1 LEU 317 HB2 -0.09 0.10 0.03 -0.04 1.64 1.65 1m7yA1 LEU 317 HB3 -0.22 0.01 0.03 -0.04 1.64 1.42 1m7yA1 LEU 317 HG -0.26 0.03 0.05 -0.04 1.64 1.42 1m7yA1 LEU 317 HD13 -0.13 -0.02 -0.10 -0.04 0.93 0.64 1m7yA1 LEU 317 HD23 -0.97 -0.02 -0.07 -0.04 0.89 -0.20 1m7yA1 SER 318 H -0.10 0.28 -0.67 -0.55 8.46 7.42 1m7yA1 SER 318 HA 0.00 0.06 0.57 -0.75 4.49 4.36 1m7yA1 SER 318 HB2 0.02 0.11 0.14 -0.04 3.95 4.19 1m7yA1 SER 318 HB3 0.04 -0.12 0.10 -0.04 3.93 3.90 1m7yA1 ASP 319 H -0.07 0.44 -0.32 -0.55 8.40 7.90 1m7yA1 ASP 319 HA 0.11 0.06 0.67 -0.75 4.63 4.70 1m7yA1 ASP 319 HB2 0.32 0.15 0.19 -0.04 2.71 3.33 1m7yA1 ASP 319 HB3 -0.01 0.09 0.32 -0.04 2.70 3.06 1m7yA1 LYS 320 H 0.06 0.30 0.20 -0.55 8.42 8.43 1m7yA1 LYS 320 HA 0.05 0.10 0.34 -0.75 4.32 4.06 1m7yA1 LYS 320 HB2 0.05 -0.02 0.10 -0.04 1.87 1.97 1m7yA1 LYS 320 HB3 0.05 0.01 0.06 -0.04 1.79 1.87 1m7yA1 LYS 320 HG2 0.05 0.16 0.09 -0.04 1.46 1.71 1m7yA1 LYS 320 HG3 0.04 0.01 0.05 -0.04 1.46 1.52 1m7yA1 LYS 320 HD2 0.05 0.01 0.00 -0.04 1.69 1.71 1m7yA1 LYS 320 HD3 0.06 -0.06 0.02 -0.04 1.68 1.66 1m7yA1 LYS 320 HE2 0.04 0.08 -0.05 -0.04 2.99 3.02 1m7yA1 LYS 320 HE3 0.06 -0.01 -0.05 -0.04 2.99 2.94 1m7yA1 LYS 321 H 0.09 0.09 -0.21 -0.55 8.42 7.83 1m7yA1 LYS 321 HA 0.07 0.12 0.53 -0.75 4.32 4.29 1m7yA1 LYS 321 HB2 0.12 -0.01 0.06 -0.04 1.87 2.00 1m7yA1 LYS 321 HB3 0.08 0.04 0.03 -0.04 1.79 1.91 1m7yA1 LYS 321 HG2 0.06 0.04 0.02 -0.04 1.46 1.53 1m7yA1 LYS 321 HG3 0.07 -0.06 0.04 -0.04 1.46 1.47 1m7yA1 LYS 321 HD2 0.05 0.02 0.01 -0.04 1.69 1.73 1m7yA1 LYS 321 HD3 0.07 0.01 0.02 -0.04 1.68 1.73 1m7yA1 LYS 321 HE2 0.06 -0.00 -0.00 -0.04 2.99 3.00 1m7yA1 LYS 321 HE3 0.05 0.01 0.01 -0.04 2.99 3.01 1m7yA1 LEU 322 H 0.10 0.13 -0.21 -0.55 8.37 7.85 1m7yA1 LEU 322 HA 0.12 0.05 0.41 -0.75 4.35 4.18 1m7yA1 LEU 322 HB2 0.13 -0.04 0.12 -0.04 1.64 1.81 1m7yA1 LEU 322 HB3 -0.13 0.26 0.21 -0.04 1.64 1.94 1m7yA1 LEU 322 HG -0.14 -0.04 -0.33 -0.04 1.64 1.09 1m7yA1 LEU 322 HD13 0.13 -0.02 -0.00 -0.04 0.93 1.00 1m7yA1 LEU 322 HD23 -1.00 0.05 -0.01 -0.04 0.89 -0.12 1m7yA1 THR 323 H 0.00 0.56 -0.01 -0.55 8.28 8.27 1m7yA1 THR 323 HA 0.08 0.00 0.36 -0.75 4.39 4.08 1m7yA1 THR 323 HB 0.36 -0.03 0.01 -0.04 4.32 4.62 1m7yA1 THR 323 HG23 -0.16 0.07 0.03 -0.04 1.22 1.11 1m7yA1 LYS 324 H 0.08 0.42 -0.29 -0.55 8.42 8.07 1m7yA1 LYS 324 HA 0.06 0.04 0.43 -0.75 4.32 4.10 1m7yA1 LYS 324 HB2 0.05 0.05 0.15 -0.04 1.87 2.09 1m7yA1 LYS 324 HB3 0.06 0.06 0.18 -0.04 1.79 2.04 1m7yA1 LYS 324 HG2 0.03 -0.02 -0.20 -0.04 1.46 1.23 1m7yA1 LYS 324 HG3 0.03 -0.01 0.04 -0.04 1.46 1.48 1m7yA1 LYS 324 HD2 0.03 0.00 0.01 -0.04 1.69 1.69 1m7yA1 LYS 324 HD3 0.04 -0.01 0.01 -0.04 1.68 1.68 1m7yA1 LYS 324 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.93 1m7yA1 LYS 324 HE3 0.03 0.01 -0.01 -0.04 2.99 2.97 1m7yA1 ASN 325 H 0.07 0.55 -0.08 -0.55 8.53 8.52 1m7yA1 ASN 325 HA 0.03 0.02 0.46 -0.75 4.76 4.51 1m7yA1 ASN 325 HB2 0.06 0.00 0.15 -0.04 2.88 3.04 1m7yA1 ASN 325 HB3 0.08 0.07 0.14 -0.04 2.79 3.05 1m7yA1 ASN 325 HD21 0.02 -0.01 0.03 -0.04 7.03 7.02 1m7yA1 ASN 325 HD22 0.03 0.01 0.05 -0.04 7.74 7.79 1m7yA1 TYR 326 H 0.17 0.70 -0.17 -0.55 8.29 8.43 1m7yA1 TYR 326 HA -0.00 -0.02 0.44 -0.75 4.56 4.22 1m7yA1 TYR 326 HB2 -0.02 0.05 0.06 -0.04 3.06 3.11 1m7yA1 TYR 326 HB3 0.03 0.06 0.12 -0.04 2.98 3.14 1m7yA1 TYR 326 HD2 0.02 0.01 -0.20 -0.04 7.15 6.94 1m7yA1 TYR 326 HE2 -0.02 0.06 -0.11 -0.04 6.85 6.74 1m7yA1 ILE 327 H 0.16 0.63 -0.02 -0.55 8.25 8.46 1m7yA1 ILE 327 HA -0.04 0.01 0.42 -0.75 4.18 3.82 1m7yA1 ILE 327 HB -0.05 0.10 0.17 -0.04 1.89 2.07 1m7yA1 ILE 327 HG12 0.03 -0.07 0.07 -0.04 1.49 1.47 1m7yA1 ILE 327 HG13 0.25 0.07 0.14 -0.04 1.21 1.63 1m7yA1 ILE 327 HG23 -0.38 0.01 -0.05 -0.04 0.93 0.47 1m7yA1 ILE 327 HD13 -0.09 -0.01 -0.07 -0.04 0.88 0.67 1m7yA1 ALA 328 H -0.06 0.47 -0.18 -0.55 8.40 8.08 1m7yA1 ALA 328 HA -0.08 0.05 0.44 -0.75 4.34 3.98 1m7yA1 ALA 328 HB3 -0.01 0.02 0.12 -0.04 1.41 1.50 1m7yA1 GLU 329 H -0.10 0.64 -0.04 -0.55 8.60 8.55 1m7yA1 GLU 329 HA -0.06 0.00 0.53 -0.75 4.29 4.01 1m7yA1 GLU 329 HB2 -0.07 0.06 0.17 -0.04 2.09 2.21 1m7yA1 GLU 329 HB3 -0.21 0.06 0.16 -0.04 1.99 1.96 1m7yA1 GLU 329 HG2 -0.07 -0.03 0.02 -0.04 2.34 2.21 1m7yA1 GLU 329 HG3 -0.11 -0.04 -0.04 -0.04 2.34 2.10 1m7yA1 ASN 330 H -0.29 0.78 -0.06 -0.55 8.53 8.41 1m7yA1 ASN 330 HA -0.20 -0.08 0.42 -0.75 4.76 4.15 1m7yA1 ASN 330 HB2 -0.59 0.08 0.13 -0.04 2.88 2.46 1m7yA1 ASN 330 HB3 -0.11 0.14 0.16 -0.04 2.79 2.93 1m7yA1 ASN 330 HD21 0.13 -0.06 0.03 -0.04 7.03 7.09 1m7yA1 ASN 330 HD22 0.16 0.05 -0.03 -0.04 7.74 7.89 1m7yA1 HIS 331 H -0.03 0.61 -0.14 -0.55 8.41 8.30 1m7yA1 HIS 331 HA 0.10 -0.00 0.37 -0.75 4.63 4.34 1m7yA1 HIS 331 HB2 0.02 0.13 0.23 -0.04 3.26 3.60 1m7yA1 HIS 331 HB3 0.07 -0.03 0.05 -0.04 3.20 3.25 1m7yA1 HIS 331 HD2 0.07 -0.12 -0.08 -0.04 6.97 6.79 1m7yA1 HIS 331 HE1 0.01 -0.07 0.05 -0.04 7.75 7.70 1m7yA1 LYS 332 H 0.05 0.46 -0.14 -0.55 8.42 8.23 1m7yA1 LYS 332 HA 0.01 0.03 0.46 -0.75 4.32 4.07 1m7yA1 LYS 332 HB2 0.01 0.06 0.18 -0.04 1.87 2.07 1m7yA1 LYS 332 HB3 -0.02 0.07 0.27 -0.04 1.79 2.06 1m7yA1 LYS 332 HG2 -0.03 -0.03 -0.21 -0.04 1.46 1.14 1m7yA1 LYS 332 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.43 1m7yA1 LYS 332 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 1m7yA1 LYS 332 HD3 -0.02 -0.01 0.03 -0.04 1.68 1.64 1m7yA1 LYS 332 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.94 1m7yA1 LYS 332 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.93 1m7yA1 ARG 333 H -0.05 0.75 0.03 -0.55 8.46 8.63 1m7yA1 ARG 333 HA -0.08 -0.01 0.48 -0.75 4.34 3.98 1m7yA1 ARG 333 HB2 -0.08 0.06 0.12 -0.04 1.90 1.96 1m7yA1 ARG 333 HB3 -0.06 -0.07 0.08 -0.04 1.80 1.70 1m7yA1 ARG 333 HG2 -0.05 -0.06 0.07 -0.04 1.67 1.58 1m7yA1 ARG 333 HG3 -0.07 0.19 0.14 -0.04 1.67 1.89 1m7yA1 ARG 333 HD2 -0.09 -0.03 -0.07 -0.04 3.22 2.98 1m7yA1 ARG 333 HD3 -0.05 0.01 0.08 -0.04 3.22 3.22 1m7yA1 LEU 334 H -0.06 0.69 -0.16 -0.55 8.37 8.30 1m7yA1 LEU 334 HA -0.10 -0.05 0.47 -0.75 4.35 3.91 1m7yA1 LEU 334 HB2 0.02 0.15 0.19 -0.04 1.64 1.96 1m7yA1 LEU 334 HB3 -0.15 -0.01 -0.01 -0.04 1.64 1.44 1m7yA1 LEU 334 HG 0.03 0.03 0.10 -0.04 1.64 1.75 1m7yA1 LEU 334 HD13 0.21 0.01 -0.08 -0.04 0.93 1.03 1m7yA1 LEU 334 HD23 0.12 -0.01 0.04 -0.04 0.89 1.00 1m7yA1 LYS 335 H -0.25 0.67 -0.07 -0.55 8.42 8.21 1m7yA1 LYS 335 HA -1.00 -0.01 0.38 -0.75 4.32 2.94 1m7yA1 LYS 335 HB2 -0.01 0.16 0.19 -0.04 1.87 2.17 1m7yA1 LYS 335 HB3 -0.10 0.08 0.21 -0.04 1.79 1.94 1m7yA1 LYS 335 HG2 -0.08 -0.09 -0.14 -0.04 1.46 1.11 1m7yA1 LYS 335 HG3 0.06 -0.04 0.03 -0.04 1.46 1.47 1m7yA1 LYS 335 HD2 0.08 0.22 0.11 -0.04 1.69 2.06 1m7yA1 LYS 335 HD3 0.01 -0.05 0.03 -0.04 1.68 1.63 1m7yA1 LYS 335 HE2 0.01 -0.05 0.01 -0.04 2.99 2.91 1m7yA1 LYS 335 HE3 0.07 -0.01 0.04 -0.04 2.99 3.05 1m7yA1 GLN 336 H -0.18 0.54 -0.12 -0.55 8.47 8.17 1m7yA1 GLN 336 HA -0.14 0.01 0.43 -0.75 4.36 3.91 1m7yA1 GLN 336 HB2 -0.09 0.02 0.13 -0.04 2.15 2.18 1m7yA1 GLN 336 HB3 -0.11 0.10 0.19 -0.04 2.02 2.16 1m7yA1 GLN 336 HG2 -0.09 -0.01 -0.21 -0.04 2.40 2.05 1m7yA1 GLN 336 HG3 -0.08 -0.04 0.04 -0.04 2.39 2.28 1m7yA1 GLN 336 HE21 -0.04 -0.03 0.01 -0.04 6.97 6.88 1m7yA1 GLN 336 HE22 -0.05 0.00 0.00 -0.04 7.69 7.60 1m7yA1 ARG 337 H -0.25 0.56 -0.17 -0.55 8.46 8.05 1m7yA1 ARG 337 HA -0.18 -0.01 0.47 -0.75 4.34 3.87 1m7yA1 ARG 337 HB2 -0.10 0.03 0.15 -0.04 1.90 1.95 1m7yA1 ARG 337 HB3 -0.23 0.08 0.13 -0.04 1.80 1.74 1m7yA1 ARG 337 HG2 0.17 0.03 -0.05 -0.04 1.67 1.78 1m7yA1 ARG 337 HG3 -0.05 -0.09 -0.17 -0.04 1.67 1.32 1m7yA1 ARG 337 HD2 0.03 0.06 0.07 -0.04 3.22 3.34 1m7yA1 ARG 337 HD3 -0.07 -0.08 0.13 -0.04 3.22 3.16 1m7yA1 GLN 338 H -0.77 0.70 -0.08 -0.55 8.47 7.77 1m7yA1 GLN 338 HA -1.26 -0.03 0.40 -0.75 4.36 2.71 1m7yA1 GLN 338 HB2 -1.13 0.06 0.03 -0.04 2.15 1.07 1m7yA1 GLN 338 HB3 -0.64 0.11 0.09 -0.04 2.02 1.54 1m7yA1 GLN 338 HG2 -0.20 -0.12 -0.02 -0.04 2.40 2.02 1m7yA1 GLN 338 HG3 0.10 0.03 -0.10 -0.04 2.39 2.38 1m7yA1 GLN 338 HE21 0.28 0.27 -0.09 -0.04 6.97 7.39 1m7yA1 GLN 338 HE22 0.42 -0.04 -0.19 -0.04 7.69 7.85 1m7yA1 LYS 339 H -0.31 0.62 -0.18 -0.55 8.42 7.99 1m7yA1 LYS 339 HA -0.10 -0.01 0.42 -0.75 4.32 3.88 1m7yA1 LYS 339 HB2 -0.13 0.16 0.18 -0.04 1.87 2.03 1m7yA1 LYS 339 HB3 -0.08 -0.07 0.02 -0.04 1.79 1.62 1m7yA1 LYS 339 HG2 -0.04 -0.06 0.05 -0.04 1.46 1.36 1m7yA1 LYS 339 HG3 -0.10 0.08 0.07 -0.04 1.46 1.47 1m7yA1 LYS 339 HD2 -0.03 -0.03 -0.01 -0.04 1.69 1.58 1m7yA1 LYS 339 HD3 -0.08 0.03 -0.09 -0.04 1.68 1.50 1m7yA1 LYS 339 HE2 -0.05 0.00 -0.00 -0.04 2.99 2.90 1m7yA1 LYS 339 HE3 -0.03 -0.03 0.00 -0.04 2.99 2.90 1m7yA1 LYS 340 H -0.18 0.42 -0.29 -0.55 8.42 7.82 1m7yA1 LYS 340 HA -0.07 0.01 0.44 -0.75 4.32 3.95 1m7yA1 LYS 340 HB2 -0.08 -0.01 0.12 -0.04 1.87 1.86 1m7yA1 LYS 340 HB3 -0.12 0.17 0.21 -0.04 1.79 2.01 1m7yA1 LYS 340 HG2 -0.04 0.02 -0.16 -0.04 1.46 1.24 1m7yA1 LYS 340 HG3 -0.04 -0.05 -0.03 -0.04 1.46 1.29 1m7yA1 LYS 340 HD2 -0.04 -0.02 0.02 -0.04 1.69 1.60 1m7yA1 LYS 340 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.58 1m7yA1 LYS 340 HE2 -0.03 0.00 0.00 -0.04 2.99 2.93 1m7yA1 LYS 340 HE3 -0.04 0.02 0.01 -0.04 2.99 2.95 1m7yA1 LEU 341 H -0.17 0.48 -0.17 -0.55 8.37 7.96 1m7yA1 LEU 341 HA -0.01 0.04 0.43 -0.75 4.35 4.05 1m7yA1 LEU 341 HB2 0.01 0.01 0.05 -0.04 1.64 1.68 1m7yA1 LEU 341 HB3 -0.09 0.11 0.13 -0.04 1.64 1.75 1m7yA1 LEU 341 HG 0.07 -0.01 -0.33 -0.04 1.64 1.33 1m7yA1 LEU 341 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.88 1m7yA1 LEU 341 HD23 0.28 -0.02 -0.13 -0.04 0.89 0.98 1m7yA1 VAL 342 H -0.07 0.66 -0.05 -0.55 8.24 8.23 1m7yA1 VAL 342 HA 0.03 -0.00 0.37 -0.75 4.13 3.77 1m7yA1 VAL 342 HB -0.02 0.08 0.15 -0.04 2.12 2.29 1m7yA1 VAL 342 HG13 0.03 -0.02 -0.07 -0.04 0.97 0.86 1m7yA1 VAL 342 HG23 0.02 0.06 0.02 -0.04 0.95 1.01 1m7yA1 SER 343 H -0.04 0.69 -0.15 -0.55 8.46 8.42 1m7yA1 SER 343 HA -0.01 -0.01 0.42 -0.75 4.49 4.14 1m7yA1 SER 343 HB2 -0.03 0.02 0.12 -0.04 3.95 4.03 1m7yA1 SER 343 HB3 -0.03 0.07 0.15 -0.04 3.93 4.08 1m7yA1 GLY 344 H -0.02 0.56 -0.22 -0.55 8.43 8.20 1m7yA1 GLY 344 HA2 -0.01 -0.00 0.42 -0.51 4.01 3.91 1m7yA1 GLY 344 HA3 -0.01 0.05 0.32 -0.51 4.01 3.86 1m7yA1 LEU 345 H 0.00 0.59 -0.17 -0.55 8.37 8.25 1m7yA1 LEU 345 HA 0.00 0.03 0.47 -0.75 4.35 4.09 1m7yA1 LEU 345 HB2 0.02 0.09 0.09 -0.04 1.64 1.80 1m7yA1 LEU 345 HB3 0.01 -0.04 -0.08 -0.04 1.64 1.50 1m7yA1 LEU 345 HG 0.02 0.14 -0.01 -0.04 1.64 1.75 1m7yA1 LEU 345 HD13 0.06 -0.04 -0.20 -0.04 0.93 0.70 1m7yA1 LEU 345 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.73 1m7yA1 GLN 346 H 0.00 0.46 -0.18 -0.55 8.47 8.20 1m7yA1 GLN 346 HA -0.00 0.07 0.39 -0.75 4.36 4.07 1m7yA1 GLN 346 HB2 -0.00 0.15 0.17 -0.04 2.15 2.42 1m7yA1 GLN 346 HB3 -0.00 -0.09 0.03 -0.04 2.02 1.91 1m7yA1 GLN 346 HG2 0.01 -0.08 0.04 -0.04 2.40 2.33 1m7yA1 GLN 346 HG3 0.01 0.49 0.14 -0.04 2.39 2.99 1m7yA1 GLN 346 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 1m7yA1 GLN 346 HE22 0.02 -0.04 -0.00 -0.04 7.69 7.63 1m7yA1 LYS 347 H -0.00 0.39 -0.33 -0.55 8.42 7.93 1m7yA1 LYS 347 HA -0.00 0.02 0.43 -0.75 4.32 4.01 1m7yA1 LYS 347 HB2 -0.00 0.21 0.10 -0.04 1.87 2.13 1m7yA1 LYS 347 HB3 -0.00 -0.05 0.10 -0.04 1.79 1.80 1m7yA1 LYS 347 HG2 -0.00 -0.07 0.04 -0.04 1.46 1.39 1m7yA1 LYS 347 HG3 -0.01 0.18 0.09 -0.04 1.46 1.68 1m7yA1 LYS 347 HD2 -0.01 0.02 0.00 -0.04 1.69 1.67 1m7yA1 LYS 347 HD3 -0.00 -0.03 0.01 -0.04 1.68 1.62 1m7yA1 LYS 347 HE2 -0.01 -0.05 -0.02 -0.04 2.99 2.87 1m7yA1 LYS 347 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.90 1m7yA1 SER 348 H 0.00 0.37 -0.66 -0.55 8.46 7.62 1m7yA1 SER 348 HA 0.01 0.16 0.80 -0.75 4.49 4.71 1m7yA1 SER 348 HB2 0.00 0.10 0.08 -0.04 3.95 4.09 1m7yA1 SER 348 HB3 0.01 -0.06 0.12 -0.04 3.93 3.96 1m7yA1 GLY 349 H -0.01 0.53 -0.29 -0.55 8.43 8.11 1m7yA1 GLY 349 HA2 -0.04 0.02 0.31 -0.51 4.01 3.79 1m7yA1 GLY 349 HA3 -0.03 0.02 0.42 -0.51 4.01 3.91 1m7yA1 ILE 350 H 0.00 0.53 -0.13 -0.55 8.25 8.10 1m7yA1 ILE 350 HA 0.08 0.12 0.91 -0.75 4.18 4.54 1m7yA1 ILE 350 HB -0.00 0.01 0.02 -0.04 1.89 1.87 1m7yA1 ILE 350 HG12 0.01 -0.02 -0.13 -0.04 1.49 1.31 1m7yA1 ILE 350 HG13 0.02 0.16 -0.37 -0.04 1.21 0.97 1m7yA1 ILE 350 HG23 -0.03 0.02 -0.17 -0.04 0.93 0.71 1m7yA1 ILE 350 HD13 -0.06 -0.02 -0.07 -0.04 0.88 0.68 1m7yA1 SER 351 H -0.01 0.19 0.20 -0.55 8.46 8.29 1m7yA1 SER 351 HA 0.03 0.20 0.82 -0.75 4.49 4.79 1m7yA1 SER 351 HB2 0.00 -0.05 0.06 -0.04 3.95 3.92 1m7yA1 SER 351 HB3 0.05 0.03 0.08 -0.04 3.93 4.05 1m7yA1 CYS 352 H 0.10 0.23 0.18 -0.55 8.50 8.45 1m7yA1 CYS 352 HA 0.21 0.08 1.05 -0.75 4.58 5.16 1m7yA1 CYS 352 HB2 0.15 -0.01 -0.03 -0.04 2.97 3.04 1m7yA1 CYS 352 HB3 0.23 0.08 0.04 -0.04 2.97 3.28 1m7yA1 LEU 353 H 0.46 0.62 0.31 -0.55 8.37 9.22 1m7yA1 LEU 353 HA 0.35 -0.02 0.49 -0.75 4.35 4.43 1m7yA1 LEU 353 HB2 0.53 -0.07 0.10 -0.04 1.64 2.16 1m7yA1 LEU 353 HB3 0.42 0.04 0.18 -0.04 1.64 2.24 1m7yA1 LEU 353 HG 0.21 0.15 -0.25 -0.04 1.64 1.70 1m7yA1 LEU 353 HD13 0.27 -0.03 0.02 -0.04 0.93 1.15 1m7yA1 LEU 353 HD23 0.17 0.03 -0.08 -0.04 0.89 0.97 1m7yA1 ASN 354 H 0.17 0.06 0.19 -0.55 8.53 8.41 1m7yA1 ASN 354 HA 0.12 0.04 0.42 -0.75 4.76 4.59 1m7yA1 ASN 354 HB2 0.10 -0.02 0.19 -0.04 2.88 3.10 1m7yA1 ASN 354 HB3 0.09 -0.04 0.21 -0.04 2.79 3.00 1m7yA1 ASN 354 HD21 0.04 0.01 -0.01 -0.04 7.03 7.03 1m7yA1 ASN 354 HD22 0.05 -0.06 0.02 -0.04 7.74 7.71 1m7yA1 GLY 355 H 0.13 0.12 0.31 -0.55 8.43 8.45 1m7yA1 GLY 355 HA2 0.05 0.08 0.83 -0.51 4.01 4.47 1m7yA1 GLY 355 HA3 0.11 0.09 0.38 -0.51 4.01 4.08 1m7yA1 ASN 356 H -0.11 0.38 0.45 -0.55 8.53 8.70 1m7yA1 ASN 356 HA -0.32 0.12 0.73 -0.75 4.76 4.53 1m7yA1 ASN 356 HB2 -0.25 0.06 0.03 -0.04 2.88 2.69 1m7yA1 ASN 356 HB3 -0.10 0.17 -0.32 -0.04 2.79 2.50 1m7yA1 ASN 356 HD21 -0.06 -0.22 -0.12 -0.04 7.03 6.59 1m7yA1 ASN 356 HD22 -0.11 0.62 -0.05 -0.04 7.74 8.15 1m7yA1 ALA 357 H -0.26 0.52 0.31 -0.55 8.40 8.42 1m7yA1 ALA 357 HA -0.74 0.34 0.80 -0.75 4.34 3.99 1m7yA1 ALA 357 HB3 -0.21 -0.04 -0.26 -0.04 1.41 0.86 1m7yA1 GLY 358 H -0.11 0.18 0.05 -0.55 8.43 8.00 1m7yA1 GLY 358 HA2 -0.49 -0.06 0.26 -0.51 4.01 3.21 1m7yA1 GLY 358 HA3 -0.86 0.10 0.58 -0.51 4.01 3.32 1m7yA1 LEU 359 H -2.01 0.09 0.07 -0.55 8.37 5.98 1m7yA1 LEU 359 HA -0.71 0.26 0.78 -0.75 4.35 3.93 1m7yA1 LEU 359 HB2 -0.31 -0.07 -0.03 -0.04 1.64 1.19 1m7yA1 LEU 359 HB3 -0.35 0.02 0.10 -0.04 1.64 1.37 1m7yA1 LEU 359 HG -0.08 -0.13 -0.28 -0.04 1.64 1.11 1m7yA1 LEU 359 HD13 0.05 0.01 -0.41 -0.04 0.93 0.54 1m7yA1 LEU 359 HD23 -0.05 0.09 -0.17 -0.04 0.89 0.72 1m7yA1 PHE 360 H -1.04 0.35 -0.03 -0.55 8.34 7.07 1m7yA1 PHE 360 HA -0.36 0.16 0.82 -0.75 4.62 4.48 1m7yA1 PHE 360 HB2 -0.01 0.12 -0.16 -0.04 3.15 3.06 1m7yA1 PHE 360 HB3 -0.17 -0.01 -0.28 -0.04 3.06 2.56 1m7yA1 PHE 360 HD2 -0.14 0.15 -0.34 -0.04 7.28 6.90 1m7yA1 PHE 360 HE2 -0.38 0.09 -0.05 -0.04 7.38 6.99 1m7yA1 PHE 360 HZ -1.13 0.02 -0.11 -0.04 7.32 6.05 1m7yA1 CYS 361 H 0.34 0.58 0.34 -0.55 8.50 9.21 1m7yA1 CYS 361 HA 0.37 0.23 0.88 -0.75 4.58 5.31 1m7yA1 CYS 361 HB2 0.29 -0.00 0.05 -0.04 2.97 3.26 1m7yA1 CYS 361 HB3 0.27 0.02 -0.06 -0.04 2.97 3.15 1m7yA1 TRP 362 H 0.45 0.30 0.15 -0.55 7.97 8.32 1m7yA1 TRP 362 HA 0.14 0.13 0.73 -0.75 4.62 4.86 1m7yA1 TRP 362 HB2 0.00 0.16 0.07 -0.04 3.23 3.42 1m7yA1 TRP 362 HB3 0.10 -0.06 0.24 -0.04 3.23 3.47 1m7yA1 TRP 362 HD1 -0.63 -0.02 -0.07 -0.04 7.22 6.45 1m7yA1 TRP 362 HE1 -2.36 -0.05 -0.10 -0.04 10.20 7.65 1m7yA1 TRP 362 HE3 -0.04 0.12 -0.19 -0.04 7.59 7.44 1m7yA1 TRP 362 HZ2 -0.40 -0.04 -0.06 -0.04 7.44 6.90 1m7yA1 TRP 362 HZ3 -0.13 -0.02 -0.24 -0.04 7.13 6.69 1m7yA1 TRP 362 HH2 -0.17 -0.04 -0.07 -0.04 7.19 6.88 1m7yA1 VAL 363 H 0.10 0.89 0.34 -0.55 8.24 9.01 1m7yA1 VAL 363 HA 0.14 0.13 0.89 -0.75 4.13 4.54 1m7yA1 VAL 363 HB 0.05 -0.06 0.04 -0.04 2.12 2.10 1m7yA1 VAL 363 HG13 -0.03 0.03 -0.26 -0.04 0.97 0.67 1m7yA1 VAL 363 HG23 0.13 0.03 -0.19 -0.04 0.95 0.88 1m7yA1 ASP 364 H -0.09 0.73 0.35 -0.55 8.40 8.84 1m7yA1 ASP 364 HA -1.26 0.03 0.76 -0.75 4.63 3.40 1m7yA1 ASP 364 HB2 -0.83 -0.03 -0.01 -0.04 2.71 1.80 1m7yA1 ASP 364 HB3 -0.25 0.13 0.18 -0.04 2.70 2.71 1m7yA1 MET 365 H -0.41 0.66 0.30 -0.55 8.47 8.48 1m7yA1 MET 365 HA -0.33 0.24 0.90 -0.75 4.52 4.58 1m7yA1 MET 365 HB2 -0.01 0.08 0.04 -0.04 2.15 2.22 1m7yA1 MET 365 HB3 -0.27 -0.03 0.13 -0.04 2.03 1.81 1m7yA1 MET 365 HG2 -0.23 0.10 -0.18 -0.04 2.63 2.28 1m7yA1 MET 365 HG3 -0.17 -0.05 -0.37 -0.04 2.56 1.93 1m7yA1 MET 365 HE3 -0.22 0.01 -0.14 -0.04 2.10 1.71 1m7yA1 ARG 366 H -0.40 0.10 -0.10 -0.55 8.46 7.50 1m7yA1 ARG 366 HA -0.17 0.03 0.42 -0.75 4.34 3.87 1m7yA1 ARG 366 HB2 -0.19 -0.01 0.05 -0.04 1.90 1.71 1m7yA1 ARG 366 HB3 -0.11 0.03 -0.01 -0.04 1.80 1.67 1m7yA1 ARG 366 HG2 -0.22 0.32 0.14 -0.04 1.67 1.86 1m7yA1 ARG 366 HG3 -0.70 -0.09 -0.01 -0.04 1.67 0.82 1m7yA1 ARG 366 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 1m7yA1 ARG 366 HD3 0.08 -0.04 -0.06 -0.04 3.22 3.16 1m7yA1 HIS 367 H -0.00 0.12 -0.24 -0.55 8.41 7.75 1m7yA1 HIS 367 HA -0.06 0.09 0.37 -0.75 4.63 4.27 1m7yA1 HIS 367 HB2 -0.07 0.04 0.11 -0.04 3.26 3.31 1m7yA1 HIS 367 HB3 -0.09 -0.06 0.06 -0.04 3.20 3.06 1m7yA1 HIS 367 HD2 -0.13 -0.01 -0.12 -0.04 6.97 6.66 1m7yA1 HIS 367 HE1 -0.15 0.03 0.11 -0.04 7.75 7.70 1m7yA1 LEU 368 H -0.43 0.33 -0.70 -0.55 8.37 7.03 1m7yA1 LEU 368 HA -0.38 0.21 0.78 -0.75 4.35 4.20 1m7yA1 LEU 368 HB2 -0.39 0.09 0.05 -0.04 1.64 1.34 1m7yA1 LEU 368 HB3 -0.56 -0.04 0.12 -0.04 1.64 1.12 1m7yA1 LEU 368 HG -1.22 -0.10 -0.12 -0.04 1.64 0.16 1m7yA1 LEU 368 HD13 -0.37 0.00 -0.02 -0.04 0.93 0.50 1m7yA1 LEU 368 HD23 -1.08 0.04 -0.06 -0.04 0.89 -0.24 1m7yA1 LEU 369 H -0.07 0.39 -0.21 -0.55 8.37 7.94 1m7yA1 LEU 369 HA 0.06 0.05 0.60 -0.75 4.35 4.31 1m7yA1 LEU 369 HB2 -0.02 0.15 0.01 -0.04 1.64 1.74 1m7yA1 LEU 369 HB3 0.01 -0.06 0.06 -0.04 1.64 1.61 1m7yA1 LEU 369 HG -0.04 0.14 0.02 -0.04 1.64 1.72 1m7yA1 LEU 369 HD13 -0.07 -0.04 -0.17 -0.04 0.93 0.62 1m7yA1 LEU 369 HD23 0.08 -0.06 -0.19 -0.04 0.89 0.68 1m7yA1 ARG 370 H 0.06 0.06 0.19 -0.55 8.46 8.21 1m7yA1 ARG 370 HA 0.04 0.16 0.43 -0.75 4.34 4.22 1m7yA1 ARG 370 HB2 0.03 0.06 0.14 -0.04 1.90 2.09 1m7yA1 ARG 370 HB3 0.03 -0.15 0.14 -0.04 1.80 1.78 1m7yA1 ARG 370 HG2 0.02 -0.02 -0.12 -0.04 1.67 1.51 1m7yA1 ARG 370 HG3 0.01 0.07 0.06 -0.04 1.67 1.76 1m7yA1 ARG 370 HD2 0.02 -0.08 -0.02 -0.04 3.22 3.10 1m7yA1 ARG 370 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 1m7yA1 SER 371 H 0.02 0.08 0.01 -0.55 8.46 8.02 1m7yA1 SER 371 HA 0.00 0.24 0.50 -0.75 4.49 4.47 1m7yA1 SER 371 HB2 0.01 0.16 -0.19 -0.04 3.95 3.89 1m7yA1 SER 371 HB3 0.00 -0.14 -0.11 -0.04 3.93 3.65 1m7yA1 ASN 372 H -0.02 0.21 0.05 -0.55 8.53 8.23 1m7yA1 ASN 372 HA -0.07 0.14 0.54 -0.75 4.76 4.61 1m7yA1 ASN 372 HB2 -0.03 0.05 0.11 -0.04 2.88 2.97 1m7yA1 ASN 372 HB3 -0.04 0.00 0.23 -0.04 2.79 2.95 1m7yA1 ASN 372 HD21 -0.03 -0.01 0.04 -0.04 7.03 6.99 1m7yA1 ASN 372 HD22 -0.02 0.01 0.06 -0.04 7.74 7.75 1m7yA1 THR 373 H -0.07 0.57 0.09 -0.55 8.28 8.31 1m7yA1 THR 373 HA -0.16 0.29 0.84 -0.75 4.39 4.60 1m7yA1 THR 373 HB 0.01 -0.05 0.13 -0.04 4.32 4.38 1m7yA1 THR 373 HG23 -0.01 0.04 -0.28 -0.04 1.22 0.93 1m7yA1 PHE 374 H 0.01 0.31 0.19 -0.55 8.34 8.30 1m7yA1 PHE 374 HA -0.01 0.04 0.61 -0.75 4.62 4.51 1m7yA1 PHE 374 HB2 -0.00 0.07 0.13 -0.04 3.15 3.30 1m7yA1 PHE 374 HB3 -0.03 0.02 0.09 -0.04 3.06 3.11 1m7yA1 PHE 374 HD2 -0.03 -0.08 0.05 -0.04 7.28 7.19 1m7yA1 PHE 374 HE2 0.00 0.03 -0.19 -0.04 7.38 7.18 1m7yA1 PHE 374 HZ 0.03 0.06 -0.40 -0.04 7.32 6.96 1m7yA1 GLU 375 H 0.10 0.10 -0.14 -0.55 8.60 8.11 1m7yA1 GLU 375 HA 0.10 0.15 0.47 -0.75 4.29 4.25 1m7yA1 GLU 375 HB2 0.05 -0.01 0.02 -0.04 2.09 2.11 1m7yA1 GLU 375 HB3 0.06 0.10 0.04 -0.04 1.99 2.15 1m7yA1 GLU 375 HG2 0.08 0.07 0.03 -0.04 2.34 2.47 1m7yA1 GLU 375 HG3 0.09 -0.12 0.08 -0.04 2.34 2.34 1m7yA1 ALA 376 H 0.04 0.07 -0.29 -0.55 8.40 7.68 1m7yA1 ALA 376 HA 0.07 0.13 0.50 -0.75 4.34 4.28 1m7yA1 ALA 376 HB3 0.03 0.02 0.20 -0.04 1.41 1.62 1m7yA1 GLU 377 H 0.07 0.21 -0.24 -0.55 8.60 8.09 1m7yA1 GLU 377 HA 0.15 0.10 0.47 -0.75 4.29 4.26 1m7yA1 GLU 377 HB2 0.02 -0.04 0.21 -0.04 2.09 2.24 1m7yA1 GLU 377 HB3 0.13 0.17 0.26 -0.04 1.99 2.51 1m7yA1 GLU 377 HG2 -0.08 0.05 -0.15 -0.04 2.34 2.12 1m7yA1 GLU 377 HG3 -0.20 0.04 0.09 -0.04 2.34 2.23 1m7yA1 MET 378 H 0.14 0.51 -0.12 -0.55 8.47 8.45 1m7yA1 MET 378 HA 0.31 -0.01 0.46 -0.75 4.52 4.52 1m7yA1 MET 378 HB2 0.14 0.12 0.17 -0.04 2.15 2.55 1m7yA1 MET 378 HB3 0.22 0.01 0.05 -0.04 2.03 2.27 1m7yA1 MET 378 HG2 0.08 0.12 0.12 -0.04 2.63 2.92 1m7yA1 MET 378 HG3 0.07 0.02 0.05 -0.04 2.56 2.66 1m7yA1 MET 378 HE3 0.10 0.02 0.05 -0.04 2.10 2.22 1m7yA1 GLU 379 H 0.15 0.30 -0.32 -0.55 8.60 8.18 1m7yA1 GLU 379 HA 0.12 0.05 0.45 -0.75 4.29 4.16 1m7yA1 GLU 379 HB2 0.08 0.01 0.13 -0.04 2.09 2.27 1m7yA1 GLU 379 HB3 0.10 0.08 0.24 -0.04 1.99 2.36 1m7yA1 GLU 379 HG2 0.07 0.05 -0.28 -0.04 2.34 2.14 1m7yA1 GLU 379 HG3 0.05 -0.01 0.02 -0.04 2.34 2.36 1m7yA1 LEU 380 H 0.18 0.46 -0.06 -0.55 8.37 8.41 1m7yA1 LEU 380 HA 0.13 0.07 0.42 -0.75 4.35 4.22 1m7yA1 LEU 380 HB2 0.15 0.05 0.12 -0.04 1.64 1.93 1m7yA1 LEU 380 HB3 0.30 0.02 0.18 -0.04 1.64 2.10 1m7yA1 LEU 380 HG -0.08 -0.05 -0.23 -0.04 1.64 1.24 1m7yA1 LEU 380 HD13 0.14 0.02 0.02 -0.04 0.93 1.07 1m7yA1 LEU 380 HD23 0.00 -0.01 -0.12 -0.04 0.89 0.73 1m7yA1 TRP 381 H 0.48 0.57 -0.08 -0.55 7.97 8.39 1m7yA1 TRP 381 HA 0.12 0.03 0.35 -0.75 4.62 4.37 1m7yA1 TRP 381 HB2 0.36 -0.05 0.12 -0.04 3.23 3.62 1m7yA1 TRP 381 HB3 0.15 0.07 0.20 -0.04 3.23 3.61 1m7yA1 TRP 381 HD1 0.31 -0.03 -0.06 -0.04 7.22 7.40 1m7yA1 TRP 381 HE1 0.07 0.46 0.21 -0.04 10.20 10.90 1m7yA1 TRP 381 HE3 0.09 0.07 0.05 -0.04 7.59 7.76 1m7yA1 TRP 381 HZ2 0.04 -0.03 0.11 -0.04 7.44 7.52 1m7yA1 TRP 381 HZ3 0.08 0.02 0.02 -0.04 7.13 7.22 1m7yA1 TRP 381 HH2 0.06 -0.06 0.05 -0.04 7.19 7.20 1m7yA1 LYS 382 H 0.23 0.61 -0.11 -0.55 8.42 8.60 1m7yA1 LYS 382 HA -0.41 -0.01 0.45 -0.75 4.32 3.60 1m7yA1 LYS 382 HB2 0.09 0.14 0.18 -0.04 1.87 2.24 1m7yA1 LYS 382 HB3 0.10 -0.04 0.06 -0.04 1.79 1.86 1m7yA1 LYS 382 HG2 0.12 -0.06 0.07 -0.04 1.46 1.54 1m7yA1 LYS 382 HG3 0.35 0.15 0.14 -0.04 1.46 2.06 1m7yA1 LYS 382 HD2 0.13 0.01 -0.01 -0.04 1.69 1.77 1m7yA1 LYS 382 HD3 0.08 -0.00 0.01 -0.04 1.68 1.73 1m7yA1 LYS 382 HE2 0.24 -0.02 0.01 -0.04 2.99 3.18 1m7yA1 LYS 382 HE3 0.28 -0.04 -0.01 -0.04 2.99 3.18 1m7yA1 LYS 383 H 0.01 0.50 -0.22 -0.55 8.42 8.15 1m7yA1 LYS 383 HA -0.02 -0.00 0.50 -0.75 4.32 4.04 1m7yA1 LYS 383 HB2 0.03 0.11 0.17 -0.04 1.87 2.13 1m7yA1 LYS 383 HB3 -0.01 0.10 0.12 -0.04 1.79 1.96 1m7yA1 LYS 383 HG2 0.11 -0.00 -0.02 -0.04 1.46 1.51 1m7yA1 LYS 383 HG3 -0.01 -0.04 0.08 -0.04 1.46 1.45 1m7yA1 LYS 383 HD2 -0.04 -0.03 -0.00 -0.04 1.69 1.58 1m7yA1 LYS 383 HD3 0.11 0.02 -0.01 -0.04 1.68 1.76 1m7yA1 LYS 383 HE2 -0.88 0.03 -0.01 -0.04 2.99 2.09 1m7yA1 LYS 383 HE3 -0.23 -0.03 0.00 -0.04 2.99 2.70 1m7yA1 ILE 384 H -0.23 0.55 -0.10 -0.55 8.25 7.92 1m7yA1 ILE 384 HA -0.59 0.02 0.47 -0.75 4.18 3.32 1m7yA1 ILE 384 HB -0.27 0.11 0.14 -0.04 1.89 1.83 1m7yA1 ILE 384 HG12 -0.54 -0.01 -0.01 -0.04 1.49 0.89 1m7yA1 ILE 384 HG13 -0.30 0.21 0.05 -0.04 1.21 1.13 1m7yA1 ILE 384 HG23 -0.25 0.02 -0.09 -0.04 0.93 0.56 1m7yA1 ILE 384 HD13 -0.39 -0.04 -0.12 -0.04 0.88 0.29 1m7yA1 VAL 385 H -0.40 0.33 -0.23 -0.55 8.24 7.39 1m7yA1 VAL 385 HA -0.31 0.17 0.56 -0.75 4.13 3.80 1m7yA1 VAL 385 HB -0.74 0.04 0.18 -0.04 2.12 1.57 1m7yA1 VAL 385 HG13 -0.65 -0.02 -0.14 -0.04 0.97 0.13 1m7yA1 VAL 385 HG23 -1.06 0.09 0.09 -0.04 0.95 0.03 1m7yA1 TYR 386 H -0.06 0.58 0.09 -0.55 8.29 8.35 1m7yA1 TYR 386 HA 0.06 0.16 0.69 -0.75 4.56 4.73 1m7yA1 TYR 386 HB2 -0.07 0.03 0.13 -0.04 3.06 3.12 1m7yA1 TYR 386 HB3 -0.00 -0.01 0.03 -0.04 2.98 2.95 1m7yA1 TYR 386 HD2 -0.09 0.20 0.09 -0.04 7.15 7.31 1m7yA1 TYR 386 HE2 -0.11 -0.04 0.01 -0.04 6.85 6.67 1m7yA1 GLU 387 H -0.03 0.48 0.08 -0.55 8.60 8.58 1m7yA1 GLU 387 HA -0.03 0.15 0.79 -0.75 4.29 4.45 1m7yA1 GLU 387 HB2 -0.08 0.24 0.21 -0.04 2.09 2.42 1m7yA1 GLU 387 HB3 0.09 -0.01 0.01 -0.04 1.99 2.04 1m7yA1 GLU 387 HG2 0.08 0.01 0.01 -0.04 2.34 2.40 1m7yA1 GLU 387 HG3 0.05 -0.09 -0.02 -0.04 2.34 2.25 1m7yA1 VAL 388 H -0.24 0.18 0.00 -0.55 8.24 7.64 1m7yA1 VAL 388 HA -0.13 0.16 0.66 -0.75 4.13 4.06 1m7yA1 VAL 388 HB -0.28 0.20 0.13 -0.04 2.12 2.12 1m7yA1 VAL 388 HG13 -0.12 0.01 -0.12 -0.04 0.97 0.70 1m7yA1 VAL 388 HG23 -0.78 -0.00 0.00 -0.04 0.95 0.12 1m7yA1 HIS 389 H 0.00 -0.02 -0.55 -0.55 8.41 7.29 1m7yA1 HIS 389 HA -0.13 0.33 0.31 -0.75 4.63 4.39 1m7yA1 HIS 389 HB2 -0.03 0.16 -0.27 -0.04 3.26 3.08 1m7yA1 HIS 389 HB3 -0.01 -0.06 -0.01 -0.04 3.20 3.08 1m7yA1 HIS 389 HD2 -0.07 0.03 -0.11 -0.04 6.97 6.78 1m7yA1 HIS 389 HE1 0.03 -0.14 -0.01 -0.04 7.75 7.58 1m7yA1 LEU 390 H -0.11 0.54 0.08 -0.55 8.37 8.33 1m7yA1 LEU 390 HA -0.03 0.11 0.97 -0.75 4.35 4.64 1m7yA1 LEU 390 HB2 -0.12 -0.03 -0.07 -0.04 1.64 1.38 1m7yA1 LEU 390 HB3 -0.06 -0.06 -0.12 -0.04 1.64 1.35 1m7yA1 LEU 390 HG -0.08 0.21 -0.36 -0.04 1.64 1.37 1m7yA1 LEU 390 HD13 -0.08 0.01 -0.07 -0.04 0.93 0.74 1m7yA1 LEU 390 HD23 -0.06 0.00 0.02 -0.04 0.89 0.81 1m7yA1 ASN 391 H -0.02 0.64 0.21 -0.55 8.53 8.81 1m7yA1 ASN 391 HA -0.00 0.19 0.96 -0.75 4.76 5.16 1m7yA1 ASN 391 HB2 0.04 0.11 -0.07 -0.04 2.88 2.92 1m7yA1 ASN 391 HB3 -0.02 -0.16 0.15 -0.04 2.79 2.72 1m7yA1 ASN 391 HD21 -0.01 0.00 -0.29 -0.04 7.03 6.69 1m7yA1 ASN 391 HD22 -0.08 -0.13 -0.10 -0.04 7.74 7.39 1m7yA1 ILE 392 H 0.24 0.32 0.13 -0.55 8.25 8.39 1m7yA1 ILE 392 HA 0.12 0.23 0.59 -0.75 4.18 4.36 1m7yA1 ILE 392 HB 0.19 0.08 0.01 -0.04 1.89 2.12 1m7yA1 ILE 392 HG12 0.11 0.05 -0.14 -0.04 1.49 1.47 1m7yA1 ILE 392 HG13 0.48 -0.08 -0.34 -0.04 1.21 1.23 1m7yA1 ILE 392 HG23 0.03 0.01 -0.26 -0.04 0.93 0.66 1m7yA1 ILE 392 HD13 -0.22 -0.00 -0.18 -0.04 0.88 0.44 1m7yA1 SER 393 H 0.18 0.63 0.30 -0.55 8.46 9.02 1m7yA1 SER 393 HA 0.05 0.24 1.01 -0.75 4.49 5.03 1m7yA1 SER 393 HB2 0.09 -0.09 0.17 -0.04 3.95 4.08 1m7yA1 SER 393 HB3 0.02 -0.02 0.03 -0.04 3.93 3.92 1m7yA1 PRO 394 HA -1.02 0.18 0.63 -0.51 4.44 3.72 1m7yA1 PRO 394 HB2 -0.47 -0.10 0.06 -0.04 2.28 1.73 1m7yA1 PRO 394 HB3 -0.49 0.14 0.10 -0.04 2.02 1.72 1m7yA1 PRO 394 HG2 -0.59 -0.17 0.17 -0.04 2.03 1.40 1m7yA1 PRO 394 HG3 -1.34 0.10 0.12 -0.04 2.03 0.86 1m7yA1 PRO 394 HD2 -0.54 0.03 0.21 -0.04 3.68 3.35 1m7yA1 PRO 394 HD3 -1.38 0.32 0.21 -0.04 3.65 2.76 1m7yA1 GLY 395 H -0.65 0.71 0.42 -0.55 8.43 8.36 1m7yA1 GLY 395 HA2 0.19 0.04 0.29 -0.51 4.01 4.02 1m7yA1 GLY 395 HA3 -0.02 0.09 0.36 -0.51 4.01 3.93 1m7yA1 SER 396 H -0.17 0.08 -0.24 -0.55 8.46 7.59 1m7yA1 SER 396 HA -0.29 0.14 0.43 -0.75 4.49 4.03 1m7yA1 SER 396 HB2 -0.42 0.09 0.06 -0.04 3.95 3.64 1m7yA1 SER 396 HB3 -0.28 -0.01 0.09 -0.04 3.93 3.69 1m7yA1 SER 397 H -0.30 0.45 -0.23 -0.55 8.46 7.84 1m7yA1 SER 397 HA -0.36 0.13 0.50 -0.75 4.49 4.01 1m7yA1 SER 397 HB2 -0.21 -0.12 0.17 -0.04 3.95 3.75 1m7yA1 SER 397 HB3 -0.32 -0.11 0.19 -0.04 3.93 3.64 1m7yA1 CYS 398 H -0.22 0.33 -0.41 -0.55 8.50 7.65 1m7yA1 CYS 398 HA -0.37 0.26 0.79 -0.75 4.58 4.51 1m7yA1 CYS 398 HB2 -0.04 0.03 0.07 -0.04 2.97 2.99 1m7yA1 CYS 398 HB3 -0.30 -0.05 0.16 -0.04 2.97 2.73 1m7yA1 HIS 399 H -0.50 0.38 -0.44 -0.55 8.41 7.31 1m7yA1 HIS 399 HA -0.21 0.10 0.29 -0.75 4.63 4.05 1m7yA1 HIS 399 HB2 -0.56 0.13 -0.01 -0.04 3.26 2.78 1m7yA1 HIS 399 HB3 -0.13 -0.04 0.15 -0.04 3.20 3.13 1m7yA1 HIS 399 HD2 -0.97 -0.01 -0.29 -0.04 6.97 5.65 1m7yA1 HIS 399 HE1 -0.05 -0.00 -0.01 -0.04 7.75 7.64 1m7yA1 CYS 400 H -0.01 0.35 -0.19 -0.55 8.50 8.10 1m7yA1 CYS 400 HA 0.13 0.07 0.45 -0.75 4.58 4.48 1m7yA1 CYS 400 HB2 0.33 0.04 0.01 -0.04 2.97 3.31 1m7yA1 CYS 400 HB3 0.28 -0.09 -0.11 -0.04 2.97 3.02 1m7yA1 THR 401 H 0.20 0.18 0.14 -0.55 8.28 8.25 1m7yA1 THR 401 HA 0.23 0.15 0.42 -0.75 4.39 4.44 1m7yA1 THR 401 HB -0.02 0.01 0.07 -0.04 4.32 4.33 1m7yA1 THR 401 HG23 -0.33 0.02 0.02 -0.04 1.22 0.89 1m7yA1 GLU 402 H 0.32 0.02 -0.26 -0.55 8.60 8.13 1m7yA1 GLU 402 HA 0.07 0.26 0.82 -0.75 4.29 4.68 1m7yA1 GLU 402 HB2 0.47 -0.08 0.08 -0.04 2.09 2.52 1m7yA1 GLU 402 HB3 0.40 0.13 -0.07 -0.04 1.99 2.42 1m7yA1 GLU 402 HG2 0.14 0.10 -0.01 -0.04 2.34 2.53 1m7yA1 GLU 402 HG3 0.16 -0.03 -0.10 -0.04 2.34 2.33 1m7yA1 PRO 403 HA -0.13 -0.02 0.40 -0.51 4.44 4.18 1m7yA1 PRO 403 HB2 -0.26 0.05 -0.13 -0.04 2.28 1.90 1m7yA1 PRO 403 HB3 -0.44 0.01 -0.28 -0.04 2.02 1.27 1m7yA1 PRO 403 HG2 -0.60 0.06 -0.27 -0.04 2.03 1.17 1m7yA1 PRO 403 HG3 -2.37 0.03 -0.13 -0.04 2.03 -0.49 1m7yA1 PRO 403 HD2 -0.21 0.10 0.12 -0.04 3.68 3.65 1m7yA1 PRO 403 HD3 -0.37 0.37 0.24 -0.04 3.65 3.85 1m7yA1 GLY 404 H -0.09 0.06 0.16 -0.55 8.43 8.02 1m7yA1 GLY 404 HA2 -0.01 0.08 0.21 -0.51 4.01 3.78 1m7yA1 GLY 404 HA3 -0.19 0.19 0.71 -0.51 4.01 4.21 1m7yA1 TRP 405 H 0.02 0.14 -0.01 -0.55 7.97 7.57 1m7yA1 TRP 405 HA -0.36 0.39 1.00 -0.75 4.62 4.89 1m7yA1 TRP 405 HB2 -0.57 -0.07 0.07 -0.04 3.23 2.61 1m7yA1 TRP 405 HB3 -2.07 0.06 -0.03 -0.04 3.23 1.15 1m7yA1 TRP 405 HD1 0.07 0.23 -0.19 -0.04 7.22 7.28 1m7yA1 TRP 405 HE1 0.19 -0.04 -0.08 -0.04 10.20 10.23 1m7yA1 TRP 405 HE3 -0.96 0.06 -0.46 -0.04 7.59 6.19 1m7yA1 TRP 405 HZ2 0.16 -0.03 -0.05 -0.04 7.44 7.48 1m7yA1 TRP 405 HZ3 0.10 0.05 -0.16 -0.04 7.13 7.07 1m7yA1 TRP 405 HH2 0.20 0.04 -0.09 -0.04 7.19 7.30 1m7yA1 PHE 406 H -0.22 0.62 0.36 -0.55 8.34 8.54 1m7yA1 PHE 406 HA -0.17 0.14 0.99 -0.75 4.62 4.83 1m7yA1 PHE 406 HB2 -0.09 0.00 -0.05 -0.04 3.15 2.97 1m7yA1 PHE 406 HB3 -0.01 0.08 -0.14 -0.04 3.06 2.95 1m7yA1 PHE 406 HD2 -0.03 0.05 -0.44 -0.04 7.28 6.81 1m7yA1 PHE 406 HE2 0.13 0.00 -0.14 -0.04 7.38 7.34 1m7yA1 PHE 406 HZ 0.09 0.05 -0.02 -0.04 7.32 7.40 1m7yA1 ARG 407 H 0.18 0.59 0.28 -0.55 8.46 8.96 1m7yA1 ARG 407 HA 0.40 0.30 0.98 -0.75 4.34 5.27 1m7yA1 ARG 407 HB2 0.37 -0.04 0.01 -0.04 1.90 2.19 1m7yA1 ARG 407 HB3 0.12 -0.07 0.13 -0.04 1.80 1.95 1m7yA1 ARG 407 HG2 0.06 0.02 -0.24 -0.04 1.67 1.47 1m7yA1 ARG 407 HG3 0.01 0.16 -0.07 -0.04 1.67 1.73 1m7yA1 ARG 407 HD2 -1.11 -0.07 -0.13 -0.04 3.22 1.87 1m7yA1 ARG 407 HD3 -0.37 -0.03 -0.09 -0.04 3.22 2.70 1m7yA1 VAL 408 H 0.24 0.63 0.31 -0.55 8.24 8.87 1m7yA1 VAL 408 HA 0.11 0.27 1.02 -0.75 4.13 4.79 1m7yA1 VAL 408 HB 0.17 -0.06 0.10 -0.04 2.12 2.29 1m7yA1 VAL 408 HG13 0.09 0.02 -0.15 -0.04 0.97 0.89 1m7yA1 VAL 408 HG23 0.09 0.00 -0.27 -0.04 0.95 0.74 1m7yA1 CYS 409 H 0.05 0.73 0.22 -0.55 8.50 8.96 1m7yA1 CYS 409 HA -0.06 0.11 0.89 -0.75 4.58 4.76 1m7yA1 CYS 409 HB2 -0.03 -0.07 -0.13 -0.04 2.97 2.69 1m7yA1 CYS 409 HB3 -0.07 0.00 -0.02 -0.04 2.97 2.84 1m7yA1 PHE 410 H -0.70 0.37 0.23 -0.55 8.34 7.68 1m7yA1 PHE 410 HA -0.01 0.28 0.97 -0.75 4.62 5.11 1m7yA1 PHE 410 HB2 -0.04 0.03 0.01 -0.04 3.15 3.11 1m7yA1 PHE 410 HB3 0.00 0.03 -0.12 -0.04 3.06 2.92 1m7yA1 PHE 410 HD2 -0.02 0.01 -0.32 -0.04 7.28 6.90 1m7yA1 PHE 410 HE2 -0.06 0.08 -0.21 -0.04 7.38 7.15 1m7yA1 PHE 410 HZ -0.02 0.17 -0.22 -0.04 7.32 7.21 1m7yA1 ALA 411 H -0.22 0.18 0.13 -0.55 8.40 7.95 1m7yA1 ALA 411 HA 0.10 0.29 1.02 -0.75 4.34 4.99 1m7yA1 ALA 411 HB3 -0.02 -0.00 0.20 -0.04 1.41 1.55 1m7yA1 ASN 412 H -0.02 0.17 -0.18 -0.55 8.53 7.95 1m7yA1 ASN 412 HA 0.01 0.07 0.76 -0.75 4.76 4.84 1m7yA1 ASN 412 HB2 -0.05 -0.03 0.07 -0.04 2.88 2.82 1m7yA1 ASN 412 HB3 -0.06 0.09 0.12 -0.04 2.79 2.91 1m7yA1 ASN 412 HD21 -0.09 -0.02 0.00 -0.04 7.03 6.88 1m7yA1 ASN 412 HD22 -0.13 -0.00 0.04 -0.04 7.74 7.61 1m7yA1 LEU 413 H 0.03 0.32 -0.34 -0.55 8.37 7.83 1m7yA1 LEU 413 HA 0.04 0.06 0.39 -0.75 4.35 4.09 1m7yA1 LEU 413 HB2 0.03 -0.03 0.06 -0.04 1.64 1.66 1m7yA1 LEU 413 HB3 0.02 0.16 0.15 -0.04 1.64 1.92 1m7yA1 LEU 413 HG -0.00 0.03 -0.37 -0.04 1.64 1.26 1m7yA1 LEU 413 HD13 0.03 -0.01 -0.25 -0.04 0.93 0.66 1m7yA1 LEU 413 HD23 -0.02 -0.01 -0.20 -0.04 0.89 0.62 1m7yA1 PRO 414 HA 0.03 0.13 0.55 -0.51 4.44 4.64 1m7yA1 PRO 414 HB2 0.04 -0.16 0.07 -0.04 2.28 2.19 1m7yA1 PRO 414 HB3 0.03 0.06 0.15 -0.04 2.02 2.22 1m7yA1 PRO 414 HG2 0.04 0.06 0.09 -0.04 2.03 2.18 1m7yA1 PRO 414 HG3 0.04 0.09 0.06 -0.04 2.03 2.18 1m7yA1 PRO 414 HD2 0.07 0.09 0.20 -0.04 3.68 4.00 1m7yA1 PRO 414 HD3 0.05 0.19 0.19 -0.04 3.65 4.04 1m7yA1 GLU 415 H 0.01 0.18 0.21 -0.55 8.60 8.46 1m7yA1 GLU 415 HA 0.00 0.18 0.42 -0.75 4.29 4.13 1m7yA1 GLU 415 HB2 -0.00 0.05 0.19 -0.04 2.09 2.29 1m7yA1 GLU 415 HB3 -0.00 -0.03 0.12 -0.04 1.99 2.04 1m7yA1 GLU 415 HG2 -0.01 -0.02 -0.05 -0.04 2.34 2.21 1m7yA1 GLU 415 HG3 -0.02 0.06 0.08 -0.04 2.34 2.41 1m7yA1 ARG 416 H 0.02 0.08 -0.12 -0.55 8.46 7.89 1m7yA1 ARG 416 HA 0.01 0.11 0.41 -0.75 4.34 4.12 1m7yA1 ARG 416 HB2 0.03 0.08 0.03 -0.04 1.90 2.00 1m7yA1 ARG 416 HB3 0.02 0.03 0.10 -0.04 1.80 1.90 1m7yA1 ARG 416 HG2 0.03 -0.13 0.04 -0.04 1.67 1.57 1m7yA1 ARG 416 HG3 0.05 0.05 -0.09 -0.04 1.67 1.64 1m7yA1 ARG 416 HD2 0.04 0.07 -0.01 -0.04 3.22 3.28 1m7yA1 ARG 416 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 1m7yA1 THR 417 H 0.02 0.13 -0.36 -0.55 8.28 7.52 1m7yA1 THR 417 HA -0.06 0.09 0.45 -0.75 4.39 4.12 1m7yA1 THR 417 HB 0.01 0.15 0.04 -0.04 4.32 4.48 1m7yA1 THR 417 HG23 -0.20 0.02 -0.03 -0.04 1.22 0.97 1m7yA1 LEU 418 H -0.01 0.35 -0.28 -0.55 8.37 7.89 1m7yA1 LEU 418 HA -0.02 0.07 0.40 -0.75 4.35 4.05 1m7yA1 LEU 418 HB2 0.02 0.04 0.04 -0.04 1.64 1.69 1m7yA1 LEU 418 HB3 -0.00 0.17 0.20 -0.04 1.64 1.97 1m7yA1 LEU 418 HG -0.01 -0.00 -0.30 -0.04 1.64 1.29 1m7yA1 LEU 418 HD13 0.03 -0.01 -0.02 -0.04 0.93 0.89 1m7yA1 LEU 418 HD23 0.00 0.00 -0.02 -0.04 0.89 0.84 1m7yA1 ASP 419 H -0.01 0.45 -0.11 -0.55 8.40 8.18 1m7yA1 ASP 419 HA -0.01 0.05 0.39 -0.75 4.63 4.30 1m7yA1 ASP 419 HB2 -0.01 0.10 0.15 -0.04 2.71 2.91 1m7yA1 ASP 419 HB3 -0.01 -0.01 0.02 -0.04 2.70 2.66 1m7yA1 LEU 420 H -0.03 0.42 -0.24 -0.55 8.37 7.97 1m7yA1 LEU 420 HA -0.02 0.01 0.43 -0.75 4.35 4.01 1m7yA1 LEU 420 HB2 -0.03 -0.01 0.14 -0.04 1.64 1.70 1m7yA1 LEU 420 HB3 -0.13 0.12 0.17 -0.04 1.64 1.76 1m7yA1 LEU 420 HG -0.11 0.06 -0.16 -0.04 1.64 1.39 1m7yA1 LEU 420 HD13 0.01 -0.02 0.06 -0.04 0.93 0.94 1m7yA1 LEU 420 HD23 -0.13 0.01 0.01 -0.04 0.89 0.73 1m7yA1 ALA 421 H -0.08 0.48 -0.25 -0.55 8.40 8.00 1m7yA1 ALA 421 HA -0.07 0.08 0.39 -0.75 4.34 3.99 1m7yA1 ALA 421 HB3 -0.06 0.03 0.08 -0.04 1.41 1.42 1m7yA1 MET 422 H -0.03 0.45 -0.23 -0.55 8.47 8.12 1m7yA1 MET 422 HA -0.01 0.02 0.41 -0.75 4.52 4.18 1m7yA1 MET 422 HB2 -0.01 0.10 0.15 -0.04 2.15 2.35 1m7yA1 MET 422 HB3 -0.01 0.01 0.02 -0.04 2.03 2.01 1m7yA1 MET 422 HG2 -0.01 0.22 0.01 -0.04 2.63 2.81 1m7yA1 MET 422 HG3 -0.01 -0.05 -0.02 -0.04 2.56 2.44 1m7yA1 MET 422 HE3 -0.01 -0.02 -0.20 -0.04 2.10 1.84 1m7yA1 GLN 423 H -0.01 0.50 -0.18 -0.55 8.47 8.23 1m7yA1 GLN 423 HA 0.01 0.02 0.47 -0.75 4.36 4.10 1m7yA1 GLN 423 HB2 -0.00 0.15 0.21 -0.04 2.15 2.47 1m7yA1 GLN 423 HB3 0.01 -0.06 0.03 -0.04 2.02 1.96 1m7yA1 GLN 423 HG2 0.00 -0.06 0.03 -0.04 2.40 2.32 1m7yA1 GLN 423 HG3 -0.01 0.38 0.08 -0.04 2.39 2.80 1m7yA1 GLN 423 HE21 0.01 -0.05 -0.04 -0.04 6.97 6.85 1m7yA1 GLN 423 HE22 0.00 -0.02 -0.08 -0.04 7.69 7.54 1m7yA1 ARG 424 H -0.01 0.62 -0.03 -0.55 8.46 8.49 1m7yA1 ARG 424 HA 0.02 -0.00 0.42 -0.75 4.34 4.02 1m7yA1 ARG 424 HB2 -0.03 0.09 0.10 -0.04 1.90 2.02 1m7yA1 ARG 424 HB3 -0.02 0.04 0.11 -0.04 1.80 1.90 1m7yA1 ARG 424 HG2 -0.01 -0.14 0.06 -0.04 1.67 1.54 1m7yA1 ARG 424 HG3 -0.04 0.36 0.10 -0.04 1.67 2.05 1m7yA1 ARG 424 HD2 -0.01 -0.01 0.02 -0.04 3.22 3.19 1m7yA1 ARG 424 HD3 -0.01 -0.08 -0.00 -0.04 3.22 3.09 1m7yA1 LEU 425 H -0.00 0.38 -0.40 -0.55 8.37 7.81 1m7yA1 LEU 425 HA 0.04 0.03 0.49 -0.75 4.35 4.16 1m7yA1 LEU 425 HB2 -0.03 0.09 0.08 -0.04 1.64 1.73 1m7yA1 LEU 425 HB3 0.00 0.12 0.11 -0.04 1.64 1.83 1m7yA1 LEU 425 HG 0.03 -0.02 -0.15 -0.04 1.64 1.47 1m7yA1 LEU 425 HD13 -0.05 -0.02 0.01 -0.04 0.93 0.82 1m7yA1 LEU 425 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 1m7yA1 LYS 426 H 0.03 0.50 -0.13 -0.55 8.42 8.27 1m7yA1 LYS 426 HA 0.05 0.02 0.47 -0.75 4.32 4.09 1m7yA1 LYS 426 HB2 0.02 0.10 0.12 -0.04 1.87 2.07 1m7yA1 LYS 426 HB3 0.02 0.06 0.12 -0.04 1.79 1.95 1m7yA1 LYS 426 HG2 0.02 -0.06 -0.07 -0.04 1.46 1.31 1m7yA1 LYS 426 HG3 0.02 0.02 0.06 -0.04 1.46 1.51 1m7yA1 LYS 426 HD2 0.01 0.07 0.02 -0.04 1.69 1.74 1m7yA1 LYS 426 HD3 0.01 -0.02 -0.06 -0.04 1.68 1.57 1m7yA1 LYS 426 HE2 0.01 0.02 0.00 -0.04 2.99 2.99 1m7yA1 LYS 426 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.90 1m7yA1 ALA 427 H 0.06 0.46 -0.21 -0.55 8.40 8.16 1m7yA1 ALA 427 HA 0.04 0.02 0.38 -0.75 4.34 4.03 1m7yA1 ALA 427 HB3 0.05 0.04 0.07 -0.04 1.41 1.52 1m7yA1 PHE 428 H 0.22 0.32 -0.42 -0.55 8.34 7.91 1m7yA1 PHE 428 HA 0.14 0.03 0.41 -0.75 4.62 4.44 1m7yA1 PHE 428 HB2 0.02 0.09 0.12 -0.04 3.15 3.34 1m7yA1 PHE 428 HB3 0.01 0.21 0.24 -0.04 3.06 3.48 1m7yA1 PHE 428 HD2 0.02 0.05 -0.05 -0.04 7.28 7.26 1m7yA1 PHE 428 HE2 -0.18 -0.03 -0.06 -0.04 7.38 7.08 1m7yA1 PHE 428 HZ -0.13 -0.05 -0.05 -0.04 7.32 7.05 1m7yA1 VAL 429 H 0.16 0.56 0.03 -0.55 8.24 8.43 1m7yA1 VAL 429 HA -0.01 -0.05 0.47 -0.75 4.13 3.79 1m7yA1 VAL 429 HB -0.02 -0.02 0.07 -0.04 2.12 2.10 1m7yA1 VAL 429 HG13 0.01 0.03 0.07 -0.04 0.97 1.03 1m7yA1 VAL 429 HG23 0.04 0.05 0.15 -0.04 0.95 1.15 1m7yA1 GLY 430 H 0.04 0.55 -0.24 -0.55 8.43 8.23 1m7yA1 GLY 430 HA2 0.02 0.06 0.44 -0.51 4.01 4.02 1m7yA1 GLY 430 HA3 0.01 -0.00 0.30 -0.51 4.01 3.80 1m7yA1 GLU 431 H -0.01 0.21 -0.67 -0.55 8.60 7.58 1m7yA1 GLU 431 HA -0.12 0.07 0.73 -0.75 4.29 4.22 1m7yA1 GLU 431 HB2 -0.03 0.08 0.10 -0.04 2.09 2.20 1m7yA1 GLU 431 HB3 0.01 0.12 0.21 -0.04 1.99 2.30 1m7yA1 GLU 431 HG2 -0.15 -0.06 -0.02 -0.04 2.34 2.08 1m7yA1 GLU 431 HG3 -0.85 -0.03 -0.21 -0.04 2.34 1.20 1m7yA1 TYR 432 H 0.01 0.26 0.07 -0.55 8.29 8.08 1m7yA1 TYR 432 HA -0.22 0.17 0.96 -0.75 4.56 4.71 1m7yA1 TYR 432 HB2 -0.60 0.01 0.10 -0.04 3.06 2.54 1m7yA1 TYR 432 HB3 -0.58 -0.07 0.00 -0.04 2.98 2.30 1m7yA1 TYR 432 HD2 -0.33 0.12 0.04 -0.04 7.15 6.93 1m7yA1 TYR 432 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.77 1m7yA1 TYR 433 H 0.18 0.25 0.08 -0.55 8.29 8.26 1m7yA1 TYR 433 HA -0.02 0.16 0.62 -0.75 4.56 4.57 1m7yA1 TYR 433 HB2 -0.04 0.13 0.14 -0.04 3.06 3.25 1m7yA1 TYR 433 HB3 -0.01 -0.02 0.07 -0.04 2.98 2.98 1m7yA1 TYR 433 HD2 -0.12 0.04 0.08 -0.04 7.15 7.11 1m7yA1 TYR 433 HE2 -0.26 0.02 -0.05 -0.04 6.85 6.52