============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 14 1.040 -154.747 21.824 -34.965 -99.200 -91.000 TRP6 14 1.020 -156.304 20.070 -34.661 -99.200 -91.000 TYR 31 0.840 -166.495 34.996 -29.543 -99.200 -91.000 PHE 38 1.000 -167.045 24.649 -30.328 -99.200 -91.000 PHE 51 1.000 -166.142 33.892 -8.418 -99.200 -91.000 HIS 60 0.900 -159.918 38.374 -14.208 -99.200 -91.000 HIS 61 0.900 -160.124 42.381 -16.195 -99.200 -91.000 PHE 62 1.000 -159.154 38.364 -18.625 -99.200 -91.000 PHE 68 1.000 -161.507 32.760 -19.625 -99.200 -91.000 PHE 69 1.000 -167.487 32.164 -25.569 -99.200 -91.000 PHE 74 1.000 -167.544 28.649 -12.471 -99.200 -91.000 TYR 81 0.840 -164.176 28.232 -2.307 -99.200 -91.000 PHE 87 1.000 -162.264 23.646 -7.094 -99.200 -91.000 PHE 88 1.000 -156.911 18.117 -11.306 -99.200 -91.000 TYR 90 0.840 -155.338 19.960 -18.292 -99.200 -91.000 HIS 101 0.900 -149.847 34.828 -29.601 -99.200 -91.000 HIS 104 0.900 -149.582 32.034 -27.563 -99.200 -91.000 PHE 108 1.000 -150.743 29.672 -19.641 -99.200 -91.000 PHE 110 1.000 -161.013 33.256 -15.741 -99.200 -91.000 TRP 113 1.040 -159.515 36.432 -9.984 -99.200 -91.000 TRP6 113 1.020 -161.508 35.329 -10.620 -99.200 -91.000 PHE 118 1.000 -163.079 28.885 -7.530 -99.200 -91.000 PHE 132 1.000 -141.021 14.700 -33.377 -99.200 -91.000 PHE 134 1.000 -151.481 17.608 -34.379 -99.200 -91.000 HIS 136 0.900 -143.283 19.506 -42.469 -99.200 -91.000 PHE 146 1.000 -139.153 25.893 -30.325 -99.200 -91.000 PHE 159 1.000 -149.724 30.724 -13.094 -99.200 -91.000 PHE 165 1.000 -145.745 18.530 -12.325 -99.200 -91.000 PHE 167 1.000 -147.797 17.792 -17.249 -99.200 -91.000 TYR 172 0.840 -145.774 13.931 -14.687 -99.200 -91.000 PHE 177 1.000 -149.011 12.185 -18.456 -99.200 -91.000 TYR 178 0.840 -147.675 4.415 -21.541 -99.200 -91.000 PHE 197 1.000 -159.462 15.718 -31.360 -99.200 -91.000 PHE 199 1.000 -156.383 14.168 -35.871 -99.200 -91.000 PHE 208 1.000 -155.935 8.743 -37.279 -99.200 -91.000 HIS 209 0.900 -151.507 7.588 -27.992 -99.200 -91.000 PHE 210 1.000 -151.245 15.626 -27.751 -99.200 -91.000 PHE 219 1.000 -160.057 11.799 -17.043 -99.200 -91.000 PHE 223 1.000 -150.990 15.604 -13.340 -99.200 -91.000 TYR 246 0.840 -157.108 18.441 -28.207 -99.200 -91.000 PHE 247 1.000 -159.637 19.948 -22.395 -99.200 -91.000 TYR 259 0.840 -160.164 7.986 -13.809 -99.200 -91.000 HIS 266 0.900 -165.700 26.243 -23.262 -99.200 -91.000 PHE 269 1.000 -161.470 31.690 -31.295 -99.200 -91.000 PHE 270 1.000 -155.163 39.738 -27.364 -99.200 -91.000 PHE 290 1.000 -144.216 37.244 -31.760 -99.200 -91.000 TYR 305 0.840 -147.064 46.330 -39.018 -99.200 -91.000 PHE 307 1.000 -159.773 47.163 -39.508 -99.200 -91.000 HIS 317 0.900 -162.578 59.040 -35.015 -99.200 -91.000 TYR 330 0.840 -163.478 49.471 -26.442 -99.200 -91.000 TYR 332 0.840 -154.755 43.764 -29.382 -99.200 -91.000 PHE 335 1.000 -159.527 40.029 -24.886 -99.200 -91.000 PHE 336 1.000 -153.425 42.107 -22.221 -99.200 -91.000 PHE 342 1.000 -159.371 53.932 -20.330 -99.200 -91.000 TYR 347 0.840 -169.028 50.592 -27.278 -99.200 -91.000 TYR 350 0.840 -162.531 54.741 -31.852 -99.200 -91.000 PHE 371 1.000 -149.944 41.359 -19.150 -99.200 -91.000 PHE 375 1.000 -144.259 37.452 -19.529 -99.200 -91.000 PHE 390 1.000 -143.047 27.749 -10.803 -99.200 -91.000 HIS 394 0.900 -143.559 20.973 -7.335 -99.200 -91.000 TRP 398 1.040 -155.351 22.002 -2.266 -99.200 -91.000 TRP6 398 1.020 -154.168 20.020 -2.775 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3kt6A1 LEU 17 HA -0.00 -0.09 0.19 -0.75 4.35 3.69 3kt6A1 LEU 17 HB2 -0.00 -0.02 -0.02 -0.04 1.64 1.56 3kt6A1 LEU 17 HB3 -0.00 0.08 0.05 -0.04 1.64 1.73 3kt6A1 LEU 17 HG -0.00 -0.00 0.02 -0.04 1.64 1.61 3kt6A1 LEU 17 HD13 -0.00 -0.01 0.04 -0.04 0.93 0.92 3kt6A1 LEU 17 HD23 -0.00 -0.01 0.03 -0.04 0.89 0.87 3kt6A1 LYS 18 H -0.00 0.07 0.08 -0.55 8.42 8.02 3kt6A1 LYS 18 HA -0.00 0.23 0.82 -0.75 4.32 4.61 3kt6A1 LYS 18 HB2 -0.00 -0.01 0.04 -0.04 1.87 1.85 3kt6A1 LYS 18 HB3 -0.00 0.04 0.05 -0.04 1.79 1.84 3kt6A1 LYS 18 HG2 -0.00 0.07 0.02 -0.04 1.46 1.51 3kt6A1 LYS 18 HG3 -0.00 -0.00 0.05 -0.04 1.46 1.47 3kt6A1 LYS 18 HD2 -0.00 0.08 0.20 -0.04 1.69 1.93 3kt6A1 LYS 18 HD3 -0.00 0.02 0.09 -0.04 1.68 1.74 3kt6A1 LYS 18 HE2 -0.00 0.07 0.15 -0.04 2.99 3.16 3kt6A1 LYS 18 HE3 -0.00 -0.02 0.11 -0.04 2.99 3.03 3kt6A1 SER 19 H -0.00 0.14 0.14 -0.55 8.46 8.19 3kt6A1 SER 19 HA -0.01 0.17 0.65 -0.75 4.49 4.54 3kt6A1 SER 19 HB2 -0.01 -0.00 0.04 -0.04 3.95 3.94 3kt6A1 SER 19 HB3 -0.01 -0.07 -0.07 -0.04 3.93 3.75 3kt6A1 THR 20 H -0.01 0.21 0.15 -0.55 8.28 8.09 3kt6A1 THR 20 HA -0.00 0.21 0.80 -0.75 4.39 4.64 3kt6A1 THR 20 HB -0.00 0.02 0.17 -0.04 4.32 4.46 3kt6A1 THR 20 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.16 3kt6A1 ASP 21 H -0.01 0.03 -0.31 -0.55 8.40 7.57 3kt6A1 ASP 21 HA -0.01 0.25 0.75 -0.75 4.63 4.87 3kt6A1 ASP 21 HB2 -0.01 -0.00 -0.17 -0.04 2.71 2.49 3kt6A1 ASP 21 HB3 -0.01 0.01 0.05 -0.04 2.70 2.70 3kt6A1 VAL 22 H -0.01 0.17 -0.24 -0.55 8.24 7.61 3kt6A1 VAL 22 HA -0.01 0.13 0.51 -0.75 4.13 4.01 3kt6A1 VAL 22 HB -0.00 0.01 0.14 -0.04 2.12 2.23 3kt6A1 VAL 22 HG13 -0.01 -0.00 -0.06 -0.04 0.97 0.86 3kt6A1 VAL 22 HG23 -0.00 0.00 -0.02 -0.04 0.95 0.89 3kt6A1 LYS 23 H -0.01 0.61 0.41 -0.55 8.42 8.88 3kt6A1 LYS 23 HA -0.01 0.15 0.87 -0.75 4.32 4.57 3kt6A1 LYS 23 HB2 -0.01 0.05 -0.18 -0.04 1.87 1.68 3kt6A1 LYS 23 HB3 -0.02 -0.22 0.19 -0.04 1.79 1.70 3kt6A1 LYS 23 HG2 -0.02 0.16 -0.14 -0.04 1.46 1.42 3kt6A1 LYS 23 HG3 -0.01 0.04 0.01 -0.04 1.46 1.46 3kt6A1 LYS 23 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.62 3kt6A1 LYS 23 HD3 -0.02 -0.12 -0.05 -0.04 1.68 1.45 3kt6A1 LYS 23 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.84 3kt6A1 LYS 23 HE3 -0.01 0.06 -0.03 -0.04 2.99 2.97 3kt6A1 GLU 24 H -0.01 0.18 0.15 -0.55 8.60 8.38 3kt6A1 GLU 24 HA -0.02 0.10 0.77 -0.75 4.29 4.39 3kt6A1 GLU 24 HB2 -0.00 0.01 0.06 -0.04 2.09 2.12 3kt6A1 GLU 24 HB3 -0.01 0.10 0.03 -0.04 1.99 2.07 3kt6A1 GLU 24 HG2 -0.01 -0.03 -0.06 -0.04 2.34 2.20 3kt6A1 GLU 24 HG3 0.00 0.04 0.01 -0.04 2.34 2.35 3kt6A1 GLN 25 H -0.04 0.09 0.14 -0.55 8.47 8.11 3kt6A1 GLN 25 HA -0.05 0.02 0.27 -0.75 4.36 3.85 3kt6A1 GLN 25 HB2 -0.10 0.12 0.02 -0.04 2.15 2.15 3kt6A1 GLN 25 HB3 -0.08 0.22 0.09 -0.04 2.02 2.21 3kt6A1 GLN 25 HG2 -0.07 -0.07 0.13 -0.04 2.40 2.36 3kt6A1 GLN 25 HG3 -0.08 0.01 -0.01 -0.04 2.39 2.26 3kt6A1 GLN 25 HE21 -0.22 0.34 0.06 -0.04 6.97 7.11 3kt6A1 GLN 25 HE22 -0.13 -0.03 -0.08 -0.04 7.69 7.41 3kt6A1 VAL 26 H -0.04 0.24 0.15 -0.55 8.24 8.04 3kt6A1 VAL 26 HA 0.02 0.19 0.85 -0.75 4.13 4.43 3kt6A1 VAL 26 HB -0.01 -0.10 0.09 -0.04 2.12 2.06 3kt6A1 VAL 26 HG13 0.04 0.01 -0.22 -0.04 0.97 0.76 3kt6A1 VAL 26 HG23 0.01 0.06 -0.15 -0.04 0.95 0.83 3kt6A1 VAL 27 H 0.09 0.28 0.11 -0.55 8.24 8.17 3kt6A1 VAL 27 HA 0.04 0.23 1.05 -0.75 4.13 4.70 3kt6A1 VAL 27 HB 0.02 0.02 0.09 -0.04 2.12 2.21 3kt6A1 VAL 27 HG13 0.31 -0.00 -0.18 -0.04 0.97 1.06 3kt6A1 VAL 27 HG23 0.02 -0.02 -0.19 -0.04 0.95 0.71 3kt6A1 THR 28 H 0.07 0.67 0.34 -0.55 8.28 8.81 3kt6A1 THR 28 HA 0.05 0.28 0.82 -0.75 4.39 4.79 3kt6A1 THR 28 HB 0.15 0.14 0.19 -0.04 4.32 4.76 3kt6A1 THR 28 HG23 0.10 0.03 -0.21 -0.04 1.22 1.10 3kt6A1 PRO 29 HA -0.27 0.10 0.50 -0.51 4.44 4.26 3kt6A1 PRO 29 HB2 -2.61 -0.01 -0.00 -0.04 2.28 -0.38 3kt6A1 PRO 29 HB3 -0.59 -0.02 0.12 -0.04 2.02 1.49 3kt6A1 PRO 29 HG2 -0.72 0.01 0.08 -0.04 2.03 1.36 3kt6A1 PRO 29 HG3 -0.29 0.13 0.15 -0.04 2.03 1.98 3kt6A1 PRO 29 HD2 -0.32 0.11 0.23 -0.04 3.68 3.66 3kt6A1 PRO 29 HD3 -0.18 0.18 0.26 -0.04 3.65 3.87 3kt6A1 TRP 30 H 0.06 -0.08 -0.55 -0.55 7.97 6.85 3kt6A1 TRP 30 HA 0.03 0.20 0.89 -0.75 4.62 4.98 3kt6A1 TRP 30 HB2 0.03 0.02 -0.06 -0.04 3.23 3.18 3kt6A1 TRP 30 HB3 0.03 -0.01 0.05 -0.04 3.23 3.27 3kt6A1 TRP 30 HD1 -0.05 -0.01 -0.04 -0.04 7.22 7.07 3kt6A1 TRP 30 HE1 -0.62 -0.04 -0.08 -0.04 10.20 9.42 3kt6A1 TRP 30 HE3 0.02 -0.01 -0.02 -0.04 7.59 7.54 3kt6A1 TRP 30 HZ2 -0.25 -0.04 -0.05 -0.04 7.44 7.05 3kt6A1 TRP 30 HZ3 -0.05 0.17 0.10 -0.04 7.13 7.32 3kt6A1 TRP 30 HH2 -0.10 -0.02 0.01 -0.04 7.19 7.04 3kt6A1 ASP 31 H 0.12 0.09 0.01 -0.55 8.40 8.06 3kt6A1 ASP 31 HA 0.04 0.17 0.86 -0.75 4.63 4.94 3kt6A1 ASP 31 HB2 0.09 -0.04 -0.04 -0.04 2.71 2.68 3kt6A1 ASP 31 HB3 0.03 0.02 -0.07 -0.04 2.70 2.64 3kt6A1 VAL 32 H -0.09 0.23 0.12 -0.55 8.24 7.95 3kt6A1 VAL 32 HA -0.19 0.28 0.93 -0.75 4.13 4.40 3kt6A1 VAL 32 HB -0.37 -0.08 0.19 -0.04 2.12 1.82 3kt6A1 VAL 32 HG13 -0.70 0.02 -0.13 -0.04 0.97 0.12 3kt6A1 VAL 32 HG23 -0.67 -0.01 -0.16 -0.04 0.95 0.08 3kt6A1 GLU 33 H -0.10 0.65 0.27 -0.55 8.60 8.88 3kt6A1 GLU 33 HA -0.09 0.27 1.03 -0.75 4.29 4.74 3kt6A1 GLU 33 HB2 -0.04 -0.02 0.10 -0.04 2.09 2.09 3kt6A1 GLU 33 HB3 -0.05 -0.07 0.06 -0.04 1.99 1.90 3kt6A1 GLU 33 HG2 -0.05 0.16 -0.13 -0.04 2.34 2.27 3kt6A1 GLU 33 HG3 -0.03 -0.04 -0.21 -0.04 2.34 2.02 3kt6A1 GLY 34 H -0.07 0.15 0.15 -0.55 8.43 8.11 3kt6A1 GLY 34 HA2 -0.09 0.04 0.15 -0.51 4.01 3.59 3kt6A1 GLY 34 HA3 -0.07 0.13 0.29 -0.51 4.01 3.85 3kt6A1 GLY 35 H -0.05 0.01 -0.14 -0.55 8.43 7.71 3kt6A1 GLY 35 HA2 -0.03 0.06 -0.10 -0.51 4.01 3.44 3kt6A1 GLY 35 HA3 -0.04 0.10 0.61 -0.51 4.01 4.16 3kt6A1 VAL 36 H -0.02 0.45 0.25 -0.55 8.24 8.37 3kt6A1 VAL 36 HA -0.03 0.07 1.02 -0.75 4.13 4.45 3kt6A1 VAL 36 HB -0.02 0.18 0.23 -0.04 2.12 2.47 3kt6A1 VAL 36 HG13 -0.02 0.01 -0.19 -0.04 0.97 0.74 3kt6A1 VAL 36 HG23 -0.03 -0.05 -0.13 -0.04 0.95 0.71 3kt6A1 ASP 37 H -0.02 0.59 0.20 -0.55 8.40 8.62 3kt6A1 ASP 37 HA -0.01 0.17 0.80 -0.75 4.63 4.84 3kt6A1 ASP 37 HB2 -0.02 0.25 0.11 -0.04 2.71 3.01 3kt6A1 ASP 37 HB3 -0.01 -0.34 0.24 -0.04 2.70 2.55 3kt6A1 GLU 38 H -0.01 0.17 0.17 -0.55 8.60 8.38 3kt6A1 GLU 38 HA -0.01 0.14 0.73 -0.75 4.29 4.40 3kt6A1 GLU 38 HB2 -0.01 -0.00 0.11 -0.04 2.09 2.15 3kt6A1 GLU 38 HB3 -0.01 0.08 0.08 -0.04 1.99 2.10 3kt6A1 GLU 38 HG2 -0.01 0.05 0.07 -0.04 2.34 2.42 3kt6A1 GLU 38 HG3 -0.01 -0.03 0.06 -0.04 2.34 2.32 3kt6A1 GLN 39 H -0.01 0.02 -0.07 -0.55 8.47 7.86 3kt6A1 GLN 39 HA -0.01 0.18 0.57 -0.75 4.36 4.35 3kt6A1 GLN 39 HB2 -0.01 0.05 0.02 -0.04 2.15 2.17 3kt6A1 GLN 39 HB3 -0.01 0.04 0.12 -0.04 2.02 2.13 3kt6A1 GLN 39 HG2 -0.01 -0.11 0.09 -0.04 2.40 2.33 3kt6A1 GLN 39 HG3 -0.01 0.04 0.03 -0.04 2.39 2.41 3kt6A1 GLN 39 HE21 -0.01 0.08 -0.03 -0.04 6.97 6.98 3kt6A1 GLN 39 HE22 -0.01 -0.11 0.06 -0.04 7.69 7.59 3kt6A1 GLY 40 H -0.01 0.09 -0.79 -0.55 8.43 7.17 3kt6A1 GLY 40 HA2 -0.01 0.03 0.21 -0.51 4.01 3.73 3kt6A1 GLY 40 HA3 -0.01 0.22 0.72 -0.51 4.01 4.43 3kt6A1 ARG 41 H -0.02 0.11 0.11 -0.55 8.46 8.11 3kt6A1 ARG 41 HA -0.03 0.03 0.69 -0.75 4.34 4.28 3kt6A1 ARG 41 HB2 -0.04 0.05 0.03 -0.04 1.90 1.90 3kt6A1 ARG 41 HB3 -0.03 -0.05 0.08 -0.04 1.80 1.76 3kt6A1 ARG 41 HG2 -0.03 -0.07 0.08 -0.04 1.67 1.60 3kt6A1 ARG 41 HG3 -0.04 0.11 -0.22 -0.04 1.67 1.48 3kt6A1 ARG 41 HD2 -0.04 0.00 -0.02 -0.04 3.22 3.11 3kt6A1 ARG 41 HD3 -0.03 -0.03 0.01 -0.04 3.22 3.12 3kt6A1 ALA 42 H -0.04 0.67 0.27 -0.55 8.40 8.76 3kt6A1 ALA 42 HA -0.03 -0.01 0.49 -0.75 4.34 4.03 3kt6A1 ALA 42 HB3 -0.05 0.01 0.12 -0.04 1.41 1.45 3kt6A1 GLN 43 H -0.03 0.10 0.20 -0.55 8.47 8.19 3kt6A1 GLN 43 HA -0.06 0.15 0.68 -0.75 4.36 4.37 3kt6A1 GLN 43 HB2 -0.01 -0.03 0.10 -0.04 2.15 2.17 3kt6A1 GLN 43 HB3 -0.02 -0.01 0.09 -0.04 2.02 2.03 3kt6A1 GLN 43 HG2 -0.04 0.01 0.02 -0.04 2.40 2.36 3kt6A1 GLN 43 HG3 -0.02 0.07 0.02 -0.04 2.39 2.42 3kt6A1 GLN 43 HE21 0.02 0.00 0.02 -0.04 6.97 6.96 3kt6A1 GLN 43 HE22 -0.00 0.05 0.02 -0.04 7.69 7.71 3kt6A1 ASN 44 H -0.04 0.07 -0.01 -0.55 8.53 8.00 3kt6A1 ASN 44 HA -0.03 0.15 0.83 -0.75 4.76 4.95 3kt6A1 ASN 44 HB2 -0.01 -0.07 -0.03 -0.04 2.88 2.73 3kt6A1 ASN 44 HB3 0.01 0.09 -0.00 -0.04 2.79 2.85 3kt6A1 ASN 44 HD21 0.04 0.15 0.08 -0.04 7.03 7.25 3kt6A1 ASN 44 HD22 0.03 -0.12 0.18 -0.04 7.74 7.79 3kt6A1 ILE 45 H -0.05 0.17 0.12 -0.55 8.25 7.94 3kt6A1 ILE 45 HA -0.19 0.21 0.76 -0.75 4.18 4.20 3kt6A1 ILE 45 HB -0.37 -0.02 0.11 -0.04 1.89 1.57 3kt6A1 ILE 45 HG12 -0.10 -0.07 -0.13 -0.04 1.49 1.15 3kt6A1 ILE 45 HG13 -0.03 -0.02 -0.12 -0.04 1.21 1.00 3kt6A1 ILE 45 HG23 -0.76 -0.01 -0.26 -0.04 0.93 -0.14 3kt6A1 ILE 45 HD13 -0.16 0.04 -0.18 -0.04 0.88 0.55 3kt6A1 ASP 46 H -0.19 0.27 0.12 -0.55 8.40 8.05 3kt6A1 ASP 46 HA -0.09 0.11 0.70 -0.75 4.63 4.59 3kt6A1 ASP 46 HB2 -0.07 0.12 0.13 -0.04 2.71 2.85 3kt6A1 ASP 46 HB3 -0.10 0.02 0.25 -0.04 2.70 2.82 3kt6A1 TYR 47 H 0.00 0.32 0.19 -0.55 8.29 8.25 3kt6A1 TYR 47 HA -0.23 0.09 0.37 -0.75 4.56 4.04 3kt6A1 TYR 47 HB2 -0.31 0.06 0.10 -0.04 3.06 2.86 3kt6A1 TYR 47 HB3 -0.75 0.05 0.03 -0.04 2.98 2.26 3kt6A1 TYR 47 HD2 -0.79 0.04 0.03 -0.04 7.15 6.38 3kt6A1 TYR 47 HE2 -0.36 0.01 0.05 -0.04 6.85 6.51 3kt6A1 ASP 48 H 0.02 0.07 -0.11 -0.55 8.40 7.82 3kt6A1 ASP 48 HA 0.08 0.19 0.63 -0.75 4.63 4.78 3kt6A1 ASP 48 HB2 0.01 -0.06 0.10 -0.04 2.71 2.72 3kt6A1 ASP 48 HB3 0.03 0.07 -0.03 -0.04 2.70 2.72 3kt6A1 LYS 49 H -0.02 0.08 -0.15 -0.55 8.42 7.77 3kt6A1 LYS 49 HA 0.00 0.11 0.48 -0.75 4.32 4.15 3kt6A1 LYS 49 HB2 -0.03 -0.04 0.12 -0.04 1.87 1.88 3kt6A1 LYS 49 HB3 -0.06 0.11 0.08 -0.04 1.79 1.89 3kt6A1 LYS 49 HG2 -0.02 0.03 -0.00 -0.04 1.46 1.42 3kt6A1 LYS 49 HG3 -0.01 0.01 0.09 -0.04 1.46 1.51 3kt6A1 LYS 49 HD2 -0.02 -0.02 0.04 -0.04 1.69 1.65 3kt6A1 LYS 49 HD3 -0.03 -0.01 0.05 -0.04 1.68 1.65 3kt6A1 LYS 49 HE2 -0.01 0.02 0.02 -0.04 2.99 2.99 3kt6A1 LYS 49 HE3 -0.00 0.01 0.02 -0.04 2.99 2.98 3kt6A1 LEU 50 H -0.08 0.30 -0.24 -0.55 8.37 7.81 3kt6A1 LEU 50 HA -0.16 0.07 0.40 -0.75 4.35 3.90 3kt6A1 LEU 50 HB2 -0.22 0.10 0.09 -0.04 1.64 1.57 3kt6A1 LEU 50 HB3 -0.03 0.08 -0.09 -0.04 1.64 1.55 3kt6A1 LEU 50 HG -0.30 0.01 -0.05 -0.04 1.64 1.27 3kt6A1 LEU 50 HD13 -0.24 -0.01 -0.12 -0.04 0.93 0.52 3kt6A1 LEU 50 HD23 -0.96 0.00 -0.03 -0.04 0.89 -0.15 3kt6A1 ILE 51 H 0.08 0.27 -0.50 -0.55 8.25 7.56 3kt6A1 ILE 51 HA 0.09 0.01 0.42 -0.75 4.18 3.95 3kt6A1 ILE 51 HB 0.10 0.18 0.14 -0.04 1.89 2.27 3kt6A1 ILE 51 HG12 0.10 -0.09 -0.11 -0.04 1.49 1.35 3kt6A1 ILE 51 HG13 0.39 0.20 0.04 -0.04 1.21 1.79 3kt6A1 ILE 51 HG23 0.07 -0.03 -0.25 -0.04 0.93 0.67 3kt6A1 ILE 51 HD13 0.20 -0.02 -0.07 -0.04 0.88 0.96 3kt6A1 LYS 52 H 0.04 0.26 -0.22 -0.55 8.42 7.95 3kt6A1 LYS 52 HA 0.05 0.10 0.54 -0.75 4.32 4.26 3kt6A1 LYS 52 HB2 0.03 0.03 0.20 -0.04 1.87 2.09 3kt6A1 LYS 52 HB3 0.03 0.00 -0.00 -0.04 1.79 1.78 3kt6A1 LYS 52 HG2 0.04 0.03 0.04 -0.04 1.46 1.52 3kt6A1 LYS 52 HG3 0.03 0.03 0.03 -0.04 1.46 1.51 3kt6A1 LYS 52 HD2 0.02 -0.05 0.01 -0.04 1.69 1.63 3kt6A1 LYS 52 HD3 0.02 0.01 0.01 -0.04 1.68 1.69 3kt6A1 LYS 52 HE2 0.02 0.03 0.01 -0.04 2.99 3.00 3kt6A1 LYS 52 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 3kt6A1 GLN 53 H 0.04 0.58 0.01 -0.55 8.47 8.55 3kt6A1 GLN 53 HA 0.08 0.03 0.41 -0.75 4.36 4.13 3kt6A1 GLN 53 HB2 0.03 -0.01 0.16 -0.04 2.15 2.29 3kt6A1 GLN 53 HB3 0.16 0.01 0.01 -0.04 2.02 2.16 3kt6A1 GLN 53 HG2 0.04 -0.02 0.04 -0.04 2.40 2.41 3kt6A1 GLN 53 HG3 0.02 0.05 0.07 -0.04 2.39 2.48 3kt6A1 GLN 53 HE21 -0.04 -0.07 0.00 -0.04 6.97 6.82 3kt6A1 GLN 53 HE22 -0.01 -0.03 -0.01 -0.04 7.69 7.59 3kt6A1 PHE 54 H 0.22 0.44 -0.18 -0.55 8.34 8.27 3kt6A1 PHE 54 HA -0.02 0.09 0.49 -0.75 4.62 4.42 3kt6A1 PHE 54 HB2 -0.02 0.14 0.08 -0.04 3.15 3.30 3kt6A1 PHE 54 HB3 -0.05 -0.04 -0.06 -0.04 3.06 2.87 3kt6A1 PHE 54 HD2 -0.11 -0.05 -0.16 -0.04 7.28 6.91 3kt6A1 PHE 54 HE2 -0.04 0.12 0.00 -0.04 7.38 7.41 3kt6A1 PHE 54 HZ -0.01 0.08 -0.06 -0.04 7.32 7.30 3kt6A1 GLY 55 H 0.13 0.14 -0.57 -0.55 8.43 7.59 3kt6A1 GLY 55 HA2 0.07 0.04 0.35 -0.51 4.01 3.95 3kt6A1 GLY 55 HA3 0.06 0.01 0.44 -0.51 4.01 4.01 3kt6A1 THR 56 H 0.10 0.45 0.12 -0.55 8.28 8.39 3kt6A1 THR 56 HA 0.09 0.21 0.83 -0.75 4.39 4.76 3kt6A1 THR 56 HB 0.09 -0.08 0.13 -0.04 4.32 4.42 3kt6A1 THR 56 HG23 0.15 -0.00 -0.24 -0.04 1.22 1.09 3kt6A1 LYS 57 H 0.04 0.44 0.32 -0.55 8.42 8.68 3kt6A1 LYS 57 HA 0.04 0.21 0.92 -0.75 4.32 4.74 3kt6A1 LYS 57 HB2 0.04 -0.00 0.06 -0.04 1.87 1.92 3kt6A1 LYS 57 HB3 0.04 -0.06 0.13 -0.04 1.79 1.86 3kt6A1 LYS 57 HG2 0.04 0.10 0.01 -0.04 1.46 1.57 3kt6A1 LYS 57 HG3 0.04 0.03 0.09 -0.04 1.46 1.58 3kt6A1 LYS 57 HD2 0.05 -0.12 -0.00 -0.04 1.69 1.58 3kt6A1 LYS 57 HD3 0.04 -0.02 0.01 -0.04 1.68 1.67 3kt6A1 LYS 57 HE2 0.03 0.04 0.01 -0.04 2.99 3.04 3kt6A1 LYS 57 HE3 0.04 0.03 0.02 -0.04 2.99 3.03 3kt6A1 PRO 58 HA 0.01 0.19 0.63 -0.51 4.44 4.76 3kt6A1 PRO 58 HB2 0.04 -0.02 -0.10 -0.04 2.28 2.15 3kt6A1 PRO 58 HB3 0.06 0.05 0.10 -0.04 2.02 2.19 3kt6A1 PRO 58 HG2 0.04 0.01 0.06 -0.04 2.03 2.10 3kt6A1 PRO 58 HG3 0.05 0.05 0.05 -0.04 2.03 2.14 3kt6A1 PRO 58 HD2 0.04 0.05 0.20 -0.04 3.68 3.93 3kt6A1 PRO 58 HD3 0.04 0.23 0.26 -0.04 3.65 4.14 3kt6A1 VAL 59 H -0.00 0.72 0.30 -0.55 8.24 8.71 3kt6A1 VAL 59 HA 0.01 -0.04 0.66 -0.75 4.13 4.01 3kt6A1 VAL 59 HB -0.02 0.10 0.21 -0.04 2.12 2.37 3kt6A1 VAL 59 HG13 -0.03 -0.00 -0.10 -0.04 0.97 0.80 3kt6A1 VAL 59 HG23 -0.10 0.00 -0.35 -0.04 0.95 0.46 3kt6A1 ASN 60 H 0.05 0.05 0.17 -0.55 8.53 8.26 3kt6A1 ASN 60 HA 0.03 0.24 0.54 -0.75 4.76 4.81 3kt6A1 ASN 60 HB2 0.05 -0.25 0.12 -0.04 2.88 2.77 3kt6A1 ASN 60 HB3 0.04 -0.15 0.22 -0.04 2.79 2.86 3kt6A1 ASN 60 HD21 0.04 0.09 0.03 -0.04 7.03 7.15 3kt6A1 ASN 60 HD22 0.05 -0.10 0.05 -0.04 7.74 7.70 3kt6A1 GLU 61 H 0.03 0.20 0.18 -0.55 8.60 8.46 3kt6A1 GLU 61 HA 0.03 0.18 0.66 -0.75 4.29 4.42 3kt6A1 GLU 61 HB2 0.02 0.08 0.15 -0.04 2.09 2.30 3kt6A1 GLU 61 HB3 0.03 -0.03 0.12 -0.04 1.99 2.07 3kt6A1 GLU 61 HG2 0.02 0.04 0.01 -0.04 2.34 2.37 3kt6A1 GLU 61 HG3 0.03 -0.01 -0.12 -0.04 2.34 2.20 3kt6A1 GLU 62 H 0.05 0.09 -0.02 -0.55 8.60 8.17 3kt6A1 GLU 62 HA 0.06 0.12 0.43 -0.75 4.29 4.15 3kt6A1 GLU 62 HB2 0.04 0.05 0.10 -0.04 2.09 2.23 3kt6A1 GLU 62 HB3 0.05 -0.04 0.09 -0.04 1.99 2.05 3kt6A1 GLU 62 HG2 0.04 0.05 -0.02 -0.04 2.34 2.37 3kt6A1 GLU 62 HG3 0.06 0.02 -0.23 -0.04 2.34 2.15 3kt6A1 THR 63 H 0.08 0.00 -0.30 -0.55 8.28 7.51 3kt6A1 THR 63 HA 0.17 0.08 0.34 -0.75 4.39 4.23 3kt6A1 THR 63 HB 0.09 0.19 -0.01 -0.04 4.32 4.55 3kt6A1 THR 63 HG23 0.26 0.02 -0.07 -0.04 1.22 1.39 3kt6A1 LEU 64 H 0.09 0.29 -0.32 -0.55 8.37 7.89 3kt6A1 LEU 64 HA 0.18 0.06 0.37 -0.75 4.35 4.21 3kt6A1 LEU 64 HB2 0.07 0.07 0.06 -0.04 1.64 1.80 3kt6A1 LEU 64 HB3 0.08 -0.01 0.02 -0.04 1.64 1.69 3kt6A1 LEU 64 HG 0.04 0.24 0.10 -0.04 1.64 1.98 3kt6A1 LEU 64 HD13 0.01 0.00 -0.03 -0.04 0.93 0.87 3kt6A1 LEU 64 HD23 -0.01 0.01 -0.18 -0.04 0.89 0.66 3kt6A1 LYS 65 H 0.10 0.48 -0.16 -0.55 8.42 8.29 3kt6A1 LYS 65 HA 0.10 0.04 0.44 -0.75 4.32 4.15 3kt6A1 LYS 65 HB2 0.06 0.03 0.10 -0.04 1.87 2.02 3kt6A1 LYS 65 HB3 0.07 0.02 0.17 -0.04 1.79 2.01 3kt6A1 LYS 65 HG2 0.06 0.02 -0.18 -0.04 1.46 1.32 3kt6A1 LYS 65 HG3 0.05 -0.01 0.01 -0.04 1.46 1.47 3kt6A1 LYS 65 HD2 0.04 -0.04 -0.03 -0.04 1.69 1.61 3kt6A1 LYS 65 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 3kt6A1 LYS 65 HE2 0.03 0.00 -0.03 -0.04 2.99 2.96 3kt6A1 LYS 65 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 3kt6A1 ARG 66 H 0.12 0.67 -0.05 -0.55 8.46 8.64 3kt6A1 ARG 66 HA 0.07 0.03 0.44 -0.75 4.34 4.13 3kt6A1 ARG 66 HB2 0.07 -0.05 0.07 -0.04 1.90 1.95 3kt6A1 ARG 66 HB3 0.11 0.05 0.10 -0.04 1.80 2.03 3kt6A1 ARG 66 HG2 0.05 -0.00 -0.15 -0.04 1.67 1.53 3kt6A1 ARG 66 HG3 0.04 0.00 -0.01 -0.04 1.67 1.66 3kt6A1 ARG 66 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.17 3kt6A1 ARG 66 HD3 0.02 -0.06 -0.04 -0.04 3.22 3.09 3kt6A1 PHE 67 H 0.30 0.44 -0.30 -0.55 8.34 8.23 3kt6A1 PHE 67 HA 0.11 0.03 0.41 -0.75 4.62 4.41 3kt6A1 PHE 67 HB2 0.27 -0.00 0.07 -0.04 3.15 3.46 3kt6A1 PHE 67 HB3 0.16 0.09 0.15 -0.04 3.06 3.42 3kt6A1 PHE 67 HD2 0.26 0.04 -0.15 -0.04 7.28 7.39 3kt6A1 PHE 67 HE2 -0.06 0.04 -0.36 -0.04 7.38 6.96 3kt6A1 PHE 67 HZ -0.58 0.02 -0.14 -0.04 7.32 6.58 3kt6A1 LYS 68 H 0.21 0.39 -0.23 -0.55 8.42 8.24 3kt6A1 LYS 68 HA -0.00 0.27 0.41 -0.75 4.32 4.24 3kt6A1 LYS 68 HB2 0.18 0.03 0.14 -0.04 1.87 2.17 3kt6A1 LYS 68 HB3 0.09 0.01 0.08 -0.04 1.79 1.93 3kt6A1 LYS 68 HG2 0.05 -0.02 -0.20 -0.04 1.46 1.25 3kt6A1 LYS 68 HG3 0.12 0.09 -0.18 -0.04 1.46 1.44 3kt6A1 LYS 68 HD2 0.08 -0.05 -0.03 -0.04 1.69 1.65 3kt6A1 LYS 68 HD3 0.06 -0.01 -0.08 -0.04 1.68 1.60 3kt6A1 LYS 68 HE2 0.08 -0.05 -0.09 -0.04 2.99 2.88 3kt6A1 LYS 68 HE3 0.05 -0.06 -0.05 -0.04 2.99 2.88 3kt6A1 GLN 69 H 0.04 0.35 -0.08 -0.55 8.47 8.24 3kt6A1 GLN 69 HA 0.01 0.06 0.42 -0.75 4.36 4.09 3kt6A1 GLN 69 HB2 0.02 -0.01 0.04 -0.04 2.15 2.16 3kt6A1 GLN 69 HB3 0.03 -0.06 0.08 -0.04 2.02 2.03 3kt6A1 GLN 69 HG2 0.04 0.08 0.18 -0.04 2.40 2.65 3kt6A1 GLN 69 HG3 0.02 0.08 -0.09 -0.04 2.39 2.36 3kt6A1 GLN 69 HE21 0.02 -0.07 -0.03 -0.04 6.97 6.85 3kt6A1 GLN 69 HE22 0.02 0.07 -0.05 -0.04 7.69 7.69 3kt6A1 VAL 70 H -0.03 0.34 -0.28 -0.55 8.24 7.72 3kt6A1 VAL 70 HA 0.03 0.08 0.46 -0.75 4.13 3.94 3kt6A1 VAL 70 HB -0.04 0.05 0.13 -0.04 2.12 2.22 3kt6A1 VAL 70 HG13 0.14 -0.00 -0.11 -0.04 0.97 0.95 3kt6A1 VAL 70 HG23 0.01 -0.04 -0.01 -0.04 0.95 0.88 3kt6A1 THR 71 H -0.23 0.31 -0.11 -0.55 8.28 7.69 3kt6A1 THR 71 HA 0.08 0.25 0.76 -0.75 4.39 4.72 3kt6A1 THR 71 HB -0.50 0.04 0.06 -0.04 4.32 3.88 3kt6A1 THR 71 HG23 -0.82 -0.00 -0.05 -0.04 1.22 0.30 3kt6A1 GLY 72 H -0.10 0.58 0.04 -0.55 8.43 8.40 3kt6A1 GLY 72 HA2 -0.01 0.03 0.33 -0.51 4.01 3.85 3kt6A1 GLY 72 HA3 -0.01 0.07 0.66 -0.51 4.01 4.22 3kt6A1 ARG 73 H -0.16 0.05 -0.34 -0.55 8.46 7.46 3kt6A1 ARG 73 HA 0.06 0.10 0.68 -0.75 4.34 4.43 3kt6A1 ARG 73 HB2 -0.16 0.02 -0.04 -0.04 1.90 1.68 3kt6A1 ARG 73 HB3 0.20 0.02 -0.11 -0.04 1.80 1.87 3kt6A1 ARG 73 HG2 -0.06 0.08 -0.13 -0.04 1.67 1.52 3kt6A1 ARG 73 HG3 -0.13 0.05 -0.02 -0.04 1.67 1.53 3kt6A1 ARG 73 HD2 0.12 -0.11 0.06 -0.04 3.22 3.24 3kt6A1 ARG 73 HD3 0.03 0.02 -0.03 -0.04 3.22 3.20 3kt6A1 GLU 74 H 0.18 0.10 0.10 -0.55 8.60 8.44 3kt6A1 GLU 74 HA 0.21 0.13 0.57 -0.75 4.29 4.43 3kt6A1 GLU 74 HB2 0.10 0.01 0.08 -0.04 2.09 2.24 3kt6A1 GLU 74 HB3 0.14 -0.04 0.08 -0.04 1.99 2.12 3kt6A1 GLU 74 HG2 0.04 -0.09 -0.04 -0.04 2.34 2.22 3kt6A1 GLU 74 HG3 0.07 0.19 -0.15 -0.04 2.34 2.41 3kt6A1 PRO 75 HA 0.03 0.04 0.39 -0.51 4.44 4.39 3kt6A1 PRO 75 HB2 -0.02 -0.05 -0.03 -0.04 2.28 2.15 3kt6A1 PRO 75 HB3 -0.11 -0.00 0.04 -0.04 2.02 1.90 3kt6A1 PRO 75 HG2 0.14 -0.03 0.05 -0.04 2.03 2.15 3kt6A1 PRO 75 HG3 0.39 0.13 0.09 -0.04 2.03 2.60 3kt6A1 PRO 75 HD2 0.14 0.02 0.16 -0.04 3.68 3.96 3kt6A1 PRO 75 HD3 0.30 0.27 0.24 -0.04 3.65 4.42 3kt6A1 HIS 76 H -0.81 0.12 0.14 -0.55 8.41 7.32 3kt6A1 HIS 76 HA -0.78 0.14 0.41 -0.75 4.63 3.65 3kt6A1 HIS 76 HB2 -3.82 0.16 0.13 -0.04 3.26 -0.31 3kt6A1 HIS 76 HB3 -0.97 -0.11 0.08 -0.04 3.20 2.16 3kt6A1 HIS 76 HD2 -1.53 0.10 0.04 -0.04 6.97 5.54 3kt6A1 HIS 76 HE1 -2.87 0.10 -0.04 -0.04 7.75 4.89 3kt6A1 HIS 77 H -0.86 0.23 0.16 -0.55 8.41 7.39 3kt6A1 HIS 77 HA -0.23 0.07 0.34 -0.75 4.63 4.06 3kt6A1 HIS 77 HB2 -0.19 0.02 0.09 -0.04 3.26 3.15 3kt6A1 HIS 77 HB3 -0.32 0.03 0.12 -0.04 3.20 2.99 3kt6A1 HIS 77 HD2 -0.98 0.01 0.07 -0.04 6.97 6.02 3kt6A1 HIS 77 HE1 0.02 0.33 -0.17 -0.04 7.75 7.89 3kt6A1 PHE 78 H -0.39 0.11 -0.30 -0.55 8.34 7.20 3kt6A1 PHE 78 HA -0.29 0.13 0.46 -0.75 4.62 4.16 3kt6A1 PHE 78 HB2 -0.36 0.01 -0.03 -0.04 3.15 2.74 3kt6A1 PHE 78 HB3 -0.14 -0.06 -0.08 -0.04 3.06 2.74 3kt6A1 PHE 78 HD2 -0.34 -0.01 -0.08 -0.04 7.28 6.80 3kt6A1 PHE 78 HE2 -0.01 0.30 0.05 -0.04 7.38 7.68 3kt6A1 PHE 78 HZ -0.15 0.03 -0.02 -0.04 7.32 7.14 3kt6A1 LEU 79 H -0.14 0.35 -0.29 -0.55 8.37 7.75 3kt6A1 LEU 79 HA -0.09 0.20 0.56 -0.75 4.35 4.26 3kt6A1 LEU 79 HB2 -0.17 0.13 0.07 -0.04 1.64 1.62 3kt6A1 LEU 79 HB3 -0.10 0.02 -0.08 -0.04 1.64 1.43 3kt6A1 LEU 79 HG -0.18 -0.10 -0.07 -0.04 1.64 1.25 3kt6A1 LEU 79 HD13 -0.10 -0.02 -0.03 -0.04 0.93 0.75 3kt6A1 LEU 79 HD23 -0.14 0.05 -0.06 -0.04 0.89 0.69 3kt6A1 ARG 80 H -0.10 0.33 -0.10 -0.55 8.46 8.03 3kt6A1 ARG 80 HA -0.04 0.06 0.39 -0.75 4.34 4.00 3kt6A1 ARG 80 HB2 -0.05 -0.00 0.08 -0.04 1.90 1.89 3kt6A1 ARG 80 HB3 -0.03 -0.03 -0.01 -0.04 1.80 1.69 3kt6A1 ARG 80 HG2 -0.03 -0.03 -0.07 -0.04 1.67 1.50 3kt6A1 ARG 80 HG3 -0.09 0.14 -0.24 -0.04 1.67 1.43 3kt6A1 ARG 80 HD2 -0.02 -0.04 -0.03 -0.04 3.22 3.09 3kt6A1 ARG 80 HD3 -0.02 0.10 -0.06 -0.04 3.22 3.20 3kt6A1 LYS 81 H -0.06 0.53 -0.14 -0.55 8.42 8.20 3kt6A1 LYS 81 HA -0.07 0.05 0.39 -0.75 4.32 3.94 3kt6A1 LYS 81 HB2 -0.11 -0.00 0.06 -0.04 1.87 1.77 3kt6A1 LYS 81 HB3 -0.13 -0.03 0.06 -0.04 1.79 1.64 3kt6A1 LYS 81 HG2 -0.04 -0.08 0.01 -0.04 1.46 1.31 3kt6A1 LYS 81 HG3 -0.02 0.00 0.09 -0.04 1.46 1.49 3kt6A1 LYS 81 HD2 0.00 0.03 -0.01 -0.04 1.69 1.67 3kt6A1 LYS 81 HD3 -0.07 -0.04 0.05 -0.04 1.68 1.58 3kt6A1 LYS 81 HE2 -0.01 -0.16 0.01 -0.04 2.99 2.80 3kt6A1 LYS 81 HE3 0.12 -0.13 0.01 -0.04 2.99 2.95 3kt6A1 GLY 82 H -0.08 0.15 -0.75 -0.55 8.43 7.20 3kt6A1 GLY 82 HA2 -0.05 0.20 0.19 -0.51 4.01 3.83 3kt6A1 GLY 82 HA3 -0.08 0.03 0.44 -0.51 4.01 3.89 3kt6A1 LEU 83 H -0.19 0.26 -0.08 -0.55 8.37 7.81 3kt6A1 LEU 83 HA -0.40 0.03 0.51 -0.75 4.35 3.73 3kt6A1 LEU 83 HB2 -0.41 -0.06 0.13 -0.04 1.64 1.26 3kt6A1 LEU 83 HB3 -0.68 -0.06 0.01 -0.04 1.64 0.88 3kt6A1 LEU 83 HG -0.38 0.00 -0.09 -0.04 1.64 1.13 3kt6A1 LEU 83 HD13 -0.73 0.02 -0.07 -0.04 0.93 0.10 3kt6A1 LEU 83 HD23 -0.92 0.00 -0.11 -0.04 0.89 -0.18 3kt6A1 PHE 84 H -0.05 0.36 -0.14 -0.55 8.34 7.95 3kt6A1 PHE 84 HA -0.18 0.17 0.81 -0.75 4.62 4.68 3kt6A1 PHE 84 HB2 -0.51 -0.10 -0.11 -0.04 3.15 2.38 3kt6A1 PHE 84 HB3 -0.36 0.04 -0.15 -0.04 3.06 2.55 3kt6A1 PHE 84 HD2 -0.47 -0.05 -0.43 -0.04 7.28 6.29 3kt6A1 PHE 84 HE2 -0.17 0.09 -0.13 -0.04 7.38 7.13 3kt6A1 PHE 84 HZ -0.01 -0.04 -0.15 -0.04 7.32 7.08 3kt6A1 PHE 85 H -0.01 0.35 0.14 -0.55 8.34 8.26 3kt6A1 PHE 85 HA -0.10 0.18 0.59 -0.75 4.62 4.53 3kt6A1 PHE 85 HB2 -0.11 -0.08 0.04 -0.04 3.15 2.96 3kt6A1 PHE 85 HB3 -0.25 0.32 -0.04 -0.04 3.06 3.05 3kt6A1 PHE 85 HD2 -0.18 0.03 -0.13 -0.04 7.28 6.96 3kt6A1 PHE 85 HE2 -0.12 0.05 -0.35 -0.04 7.38 6.92 3kt6A1 PHE 85 HZ -0.09 -0.03 -0.13 -0.04 7.32 7.02 3kt6A1 SER 86 H -0.77 0.25 0.19 -0.55 8.46 7.58 3kt6A1 SER 86 HA -0.17 0.23 1.02 -0.75 4.49 4.81 3kt6A1 SER 86 HB2 -0.13 0.04 -0.02 -0.04 3.95 3.80 3kt6A1 SER 86 HB3 -0.71 -0.04 -0.19 -0.04 3.93 2.95 3kt6A1 GLU 87 H -0.05 0.68 0.36 -0.55 8.60 9.04 3kt6A1 GLU 87 HA -0.26 0.12 0.60 -0.75 4.29 4.00 3kt6A1 GLU 87 HB2 -0.05 0.05 0.14 -0.04 2.09 2.19 3kt6A1 GLU 87 HB3 -0.20 0.05 -0.06 -0.04 1.99 1.74 3kt6A1 GLU 87 HG2 -0.02 -0.02 -0.15 -0.04 2.34 2.10 3kt6A1 GLU 87 HG3 -0.03 0.15 -0.15 -0.04 2.34 2.26 3kt6A1 ARG 88 H -0.09 0.49 0.32 -0.55 8.46 8.62 3kt6A1 ARG 88 HA 0.04 0.11 0.72 -0.75 4.34 4.46 3kt6A1 ARG 88 HB2 0.02 -0.01 0.16 -0.04 1.90 2.02 3kt6A1 ARG 88 HB3 0.05 0.09 0.09 -0.04 1.80 1.99 3kt6A1 ARG 88 HG2 0.09 0.07 0.10 -0.04 1.67 1.89 3kt6A1 ARG 88 HG3 0.17 -0.10 -0.23 -0.04 1.67 1.46 3kt6A1 ARG 88 HD2 0.11 0.05 -0.04 -0.04 3.22 3.30 3kt6A1 ARG 88 HD3 0.08 0.05 0.02 -0.04 3.22 3.34 3kt6A1 ASP 89 H 0.04 0.19 0.13 -0.55 8.40 8.21 3kt6A1 ASP 89 HA 0.02 -0.04 0.36 -0.75 4.63 4.22 3kt6A1 ASP 89 HB2 0.01 0.17 -0.29 -0.04 2.71 2.56 3kt6A1 ASP 89 HB3 -0.02 0.02 0.18 -0.04 2.70 2.85 3kt6A1 PHE 90 H 0.15 0.07 -0.35 -0.55 8.34 7.66 3kt6A1 PHE 90 HA -0.09 0.20 0.52 -0.75 4.62 4.49 3kt6A1 PHE 90 HB2 -0.04 0.10 0.01 -0.04 3.15 3.19 3kt6A1 PHE 90 HB3 -0.01 -0.06 -0.03 -0.04 3.06 2.92 3kt6A1 PHE 90 HD2 -0.00 -0.01 -0.09 -0.04 7.28 7.13 3kt6A1 PHE 90 HE2 0.17 0.05 -0.10 -0.04 7.38 7.46 3kt6A1 PHE 90 HZ 0.40 0.05 -0.08 -0.04 7.32 7.64 3kt6A1 THR 91 H 0.05 0.03 -0.14 -0.55 8.28 7.67 3kt6A1 THR 91 HA -0.10 0.10 0.38 -0.75 4.39 4.02 3kt6A1 THR 91 HB -0.01 -0.03 0.04 -0.04 4.32 4.28 3kt6A1 THR 91 HG23 -0.02 0.03 -0.11 -0.04 1.22 1.08 3kt6A1 LYS 92 H -0.08 0.09 -0.32 -0.55 8.42 7.56 3kt6A1 LYS 92 HA -0.10 0.04 0.29 -0.75 4.32 3.80 3kt6A1 LYS 92 HB2 -0.06 0.04 0.07 -0.04 1.87 1.89 3kt6A1 LYS 92 HB3 -0.05 -0.11 0.08 -0.04 1.79 1.68 3kt6A1 LYS 92 HG2 -0.08 0.25 0.07 -0.04 1.46 1.65 3kt6A1 LYS 92 HG3 -0.12 0.06 -0.30 -0.04 1.46 1.05 3kt6A1 LYS 92 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 3kt6A1 LYS 92 HD3 -0.02 -0.10 0.01 -0.04 1.68 1.53 3kt6A1 LYS 92 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.86 3kt6A1 LYS 92 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.88 3kt6A1 ILE 93 H -0.28 0.20 -0.38 -0.55 8.25 7.24 3kt6A1 ILE 93 HA -0.57 0.13 0.50 -0.75 4.18 3.49 3kt6A1 ILE 93 HB -0.58 0.07 0.11 -0.04 1.89 1.45 3kt6A1 ILE 93 HG12 -0.23 0.09 0.06 -0.04 1.49 1.36 3kt6A1 ILE 93 HG13 -0.20 -0.07 -0.02 -0.04 1.21 0.87 3kt6A1 ILE 93 HG23 -1.19 0.01 -0.16 -0.04 0.93 -0.46 3kt6A1 ILE 93 HD13 -0.44 0.03 -0.15 -0.04 0.88 0.28 3kt6A1 LEU 94 H -0.48 0.42 -0.11 -0.55 8.37 7.65 3kt6A1 LEU 94 HA -0.24 0.08 0.45 -0.75 4.35 3.89 3kt6A1 LEU 94 HB2 -0.22 0.10 0.15 -0.04 1.64 1.63 3kt6A1 LEU 94 HB3 -0.11 -0.00 -0.03 -0.04 1.64 1.46 3kt6A1 LEU 94 HG -0.96 0.07 -0.01 -0.04 1.64 0.70 3kt6A1 LEU 94 HD13 -0.06 -0.05 -0.13 -0.04 0.93 0.65 3kt6A1 LEU 94 HD23 0.07 0.01 -0.06 -0.04 0.89 0.87 3kt6A1 ASP 95 H -0.16 0.46 -0.12 -0.55 8.40 8.03 3kt6A1 ASP 95 HA -0.05 0.03 0.46 -0.75 4.63 4.31 3kt6A1 ASP 95 HB2 -0.09 0.14 0.14 -0.04 2.71 2.87 3kt6A1 ASP 95 HB3 -0.05 0.00 -0.02 -0.04 2.70 2.60 3kt6A1 LEU 96 H -0.15 0.47 -0.20 -0.55 8.37 7.95 3kt6A1 LEU 96 HA -0.01 -0.04 0.33 -0.75 4.35 3.88 3kt6A1 LEU 96 HB2 -0.25 0.10 0.11 -0.04 1.64 1.56 3kt6A1 LEU 96 HB3 0.09 0.11 -0.16 -0.04 1.64 1.64 3kt6A1 LEU 96 HG -0.10 0.13 0.09 -0.04 1.64 1.71 3kt6A1 LEU 96 HD13 -0.06 0.02 -0.05 -0.04 0.93 0.81 3kt6A1 LEU 96 HD23 0.02 -0.03 -0.02 -0.04 0.89 0.82 3kt6A1 TYR 97 H -0.03 0.41 -0.21 -0.55 8.29 7.90 3kt6A1 TYR 97 HA 0.13 0.14 0.47 -0.75 4.56 4.54 3kt6A1 TYR 97 HB2 -0.05 -0.00 0.08 -0.04 3.06 3.05 3kt6A1 TYR 97 HB3 -0.02 0.00 0.07 -0.04 2.98 2.99 3kt6A1 TYR 97 HD2 0.16 0.03 -0.10 -0.04 7.15 7.20 3kt6A1 TYR 97 HE2 0.07 0.12 0.10 -0.04 6.85 7.10 3kt6A1 GLU 98 H 0.04 0.44 -0.21 -0.55 8.60 8.32 3kt6A1 GLU 98 HA -0.02 0.12 0.48 -0.75 4.29 4.12 3kt6A1 GLU 98 HB2 0.01 0.04 0.17 -0.04 2.09 2.28 3kt6A1 GLU 98 HB3 -0.01 0.10 0.16 -0.04 1.99 2.19 3kt6A1 GLU 98 HG2 -0.01 -0.00 0.01 -0.04 2.34 2.29 3kt6A1 GLU 98 HG3 -0.00 0.06 0.11 -0.04 2.34 2.47 3kt6A1 GLN 99 H -0.03 0.38 -0.34 -0.55 8.47 7.93 3kt6A1 GLN 99 HA -0.04 -0.02 0.32 -0.75 4.36 3.87 3kt6A1 GLN 99 HB2 -0.01 0.05 0.07 -0.04 2.15 2.22 3kt6A1 GLN 99 HB3 -0.01 -0.11 0.07 -0.04 2.02 1.93 3kt6A1 GLN 99 HG2 -0.01 0.15 0.01 -0.04 2.40 2.51 3kt6A1 GLN 99 HG3 -0.02 0.05 -0.03 -0.04 2.39 2.34 3kt6A1 GLN 99 HE21 -0.01 -0.11 -0.05 -0.04 6.97 6.76 3kt6A1 GLN 99 HE22 -0.02 0.00 -0.02 -0.04 7.69 7.62 3kt6A1 GLY 100 H -0.12 0.40 -0.40 -0.55 8.43 7.76 3kt6A1 GLY 100 HA2 -0.15 0.10 0.34 -0.51 4.01 3.79 3kt6A1 GLY 100 HA3 -0.07 -0.04 0.50 -0.51 4.01 3.89 3kt6A1 LYS 101 H 0.02 0.34 -0.16 -0.55 8.42 8.06 3kt6A1 LYS 101 HA 0.06 0.07 0.54 -0.75 4.32 4.24 3kt6A1 LYS 101 HB2 0.06 -0.03 0.08 -0.04 1.87 1.94 3kt6A1 LYS 101 HB3 0.08 0.04 0.05 -0.04 1.79 1.91 3kt6A1 LYS 101 HG2 0.03 0.01 -0.07 -0.04 1.46 1.39 3kt6A1 LYS 101 HG3 0.01 -0.01 -0.08 -0.04 1.46 1.34 3kt6A1 LYS 101 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 3kt6A1 LYS 101 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 3kt6A1 LYS 101 HE2 0.05 0.09 0.03 -0.04 2.99 3.12 3kt6A1 LYS 101 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 3kt6A1 PRO 102 HA 0.11 0.16 0.58 -0.51 4.44 4.78 3kt6A1 PRO 102 HB2 0.19 0.02 -0.01 -0.04 2.28 2.44 3kt6A1 PRO 102 HB3 0.30 0.05 0.10 -0.04 2.02 2.43 3kt6A1 PRO 102 HG2 0.14 -0.02 0.08 -0.04 2.03 2.19 3kt6A1 PRO 102 HG3 0.15 0.01 0.10 -0.04 2.03 2.25 3kt6A1 PRO 102 HD2 0.10 0.02 0.21 -0.04 3.68 3.97 3kt6A1 PRO 102 HD3 0.09 0.14 0.25 -0.04 3.65 4.09 3kt6A1 PHE 103 H -0.32 0.37 0.27 -0.55 8.34 8.10 3kt6A1 PHE 103 HA 0.03 0.16 0.38 -0.75 4.62 4.43 3kt6A1 PHE 103 HB2 -0.14 0.01 0.06 -0.04 3.15 3.04 3kt6A1 PHE 103 HB3 -0.07 0.06 0.02 -0.04 3.06 3.02 3kt6A1 PHE 103 HD2 -0.14 0.08 -0.30 -0.04 7.28 6.87 3kt6A1 PHE 103 HE2 -0.22 -0.01 -0.12 -0.04 7.38 6.98 3kt6A1 PHE 103 HZ -1.20 -0.03 -0.08 -0.04 7.32 5.98 3kt6A1 PHE 104 H -0.01 0.43 0.32 -0.55 8.34 8.52 3kt6A1 PHE 104 HA -0.40 0.27 1.01 -0.75 4.62 4.74 3kt6A1 PHE 104 HB2 -0.32 0.09 0.08 -0.04 3.15 2.95 3kt6A1 PHE 104 HB3 -0.39 -0.02 -0.12 -0.04 3.06 2.49 3kt6A1 PHE 104 HD2 -0.12 0.07 -0.18 -0.04 7.28 7.01 3kt6A1 PHE 104 HE2 -0.05 0.10 -0.22 -0.04 7.38 7.16 3kt6A1 PHE 104 HZ 0.00 0.05 -0.56 -0.04 7.32 6.78 3kt6A1 LEU 105 H -0.01 0.81 0.39 -0.55 8.37 9.02 3kt6A1 LEU 105 HA -0.09 0.19 1.09 -0.75 4.35 4.78 3kt6A1 LEU 105 HB2 -0.02 0.08 0.11 -0.04 1.64 1.77 3kt6A1 LEU 105 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.54 3kt6A1 LEU 105 HG -0.00 0.03 -0.20 -0.04 1.64 1.43 3kt6A1 LEU 105 HD13 0.01 -0.01 -0.20 -0.04 0.93 0.70 3kt6A1 LEU 105 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.85 3kt6A1 TYR 106 H -0.07 0.57 0.31 -0.55 8.29 8.56 3kt6A1 TYR 106 HA -0.02 0.34 0.90 -0.75 4.56 5.03 3kt6A1 TYR 106 HB2 0.11 0.09 -0.04 -0.04 3.06 3.17 3kt6A1 TYR 106 HB3 -0.19 -0.04 -0.07 -0.04 2.98 2.64 3kt6A1 TYR 106 HD2 -0.04 0.11 -0.06 -0.04 7.15 7.11 3kt6A1 TYR 106 HE2 0.18 -0.09 -0.16 -0.04 6.85 6.74 3kt6A1 THR 107 H -0.03 0.51 0.37 -0.55 8.28 8.58 3kt6A1 THR 107 HA -0.51 0.13 0.60 -0.75 4.39 3.86 3kt6A1 THR 107 HB -0.24 0.08 0.01 -0.04 4.32 4.13 3kt6A1 THR 107 HG23 -0.29 -0.02 -0.15 -0.04 1.22 0.72 3kt6A1 GLY 108 H -0.21 0.23 0.23 -0.55 8.43 8.12 3kt6A1 GLY 108 HA2 0.02 0.13 0.90 -0.51 4.01 4.55 3kt6A1 GLY 108 HA3 0.00 -0.01 0.33 -0.51 4.01 3.83 3kt6A1 ARG 109 H 0.03 0.76 0.38 -0.55 8.46 9.07 3kt6A1 ARG 109 HA 0.04 0.08 0.78 -0.75 4.34 4.48 3kt6A1 ARG 109 HB2 0.28 0.11 -0.14 -0.04 1.90 2.11 3kt6A1 ARG 109 HB3 0.09 0.04 -0.09 -0.04 1.80 1.79 3kt6A1 ARG 109 HG2 -0.09 0.04 -0.18 -0.04 1.67 1.39 3kt6A1 ARG 109 HG3 -0.05 -0.10 -0.51 -0.04 1.67 0.97 3kt6A1 ARG 109 HD2 -0.17 -0.05 -0.04 -0.04 3.22 2.92 3kt6A1 ARG 109 HD3 -0.16 0.04 -0.04 -0.04 3.22 3.01 3kt6A1 GLY 110 H -0.04 0.21 0.11 -0.55 8.43 8.16 3kt6A1 GLY 110 HA2 0.01 0.04 0.78 -0.51 4.01 4.34 3kt6A1 GLY 110 HA3 -0.01 0.06 0.31 -0.51 4.01 3.86 3kt6A1 PRO 111 HA -0.05 0.09 0.36 -0.51 4.44 4.33 3kt6A1 PRO 111 HB2 0.19 -0.03 -0.10 -0.04 2.28 2.29 3kt6A1 PRO 111 HB3 0.04 0.10 -0.18 -0.04 2.02 1.95 3kt6A1 PRO 111 HG2 0.12 0.00 0.04 -0.04 2.03 2.15 3kt6A1 PRO 111 HG3 0.06 0.02 -0.04 -0.04 2.03 2.03 3kt6A1 PRO 111 HD2 0.06 0.09 -0.31 -0.04 3.68 3.48 3kt6A1 PRO 111 HD3 0.02 0.28 0.11 -0.04 3.65 4.02 3kt6A1 SER 112 H -0.08 0.31 0.24 -0.55 8.46 8.38 3kt6A1 SER 112 HA 0.10 0.16 0.75 -0.75 4.49 4.74 3kt6A1 SER 112 HB2 0.02 0.01 0.14 -0.04 3.95 4.08 3kt6A1 SER 112 HB3 0.05 -0.01 -0.05 -0.04 3.93 3.88 3kt6A1 SER 113 H -0.40 0.27 -0.04 -0.55 8.46 7.74 3kt6A1 SER 113 HA -1.36 0.11 0.25 -0.75 4.49 2.73 3kt6A1 SER 113 HB2 -0.31 -0.03 0.16 -0.04 3.95 3.73 3kt6A1 SER 113 HB3 -0.22 0.16 -0.12 -0.04 3.93 3.71 3kt6A1 ASP 114 H -0.38 0.15 0.08 -0.55 8.40 7.70 3kt6A1 ASP 114 HA -0.08 0.20 0.60 -0.75 4.63 4.60 3kt6A1 ASP 114 HB2 0.07 0.06 0.06 -0.04 2.71 2.85 3kt6A1 ASP 114 HB3 0.23 -0.01 -0.02 -0.04 2.70 2.87 3kt6A1 SER 115 H -0.16 0.07 -0.13 -0.55 8.46 7.70 3kt6A1 SER 115 HA 0.00 0.25 0.90 -0.75 4.49 4.89 3kt6A1 SER 115 HB2 -0.05 0.06 -0.13 -0.04 3.95 3.79 3kt6A1 SER 115 HB3 -0.16 -0.07 0.00 -0.04 3.93 3.66 3kt6A1 MET 116 H 0.04 0.21 0.03 -0.55 8.47 8.21 3kt6A1 MET 116 HA 0.13 0.07 0.51 -0.75 4.52 4.48 3kt6A1 MET 116 HB2 0.02 0.04 -0.05 -0.04 2.15 2.13 3kt6A1 MET 116 HB3 0.13 0.01 0.04 -0.04 2.03 2.17 3kt6A1 MET 116 HG2 -0.10 -0.03 -0.10 -0.04 2.63 2.36 3kt6A1 MET 116 HG3 -0.02 0.04 -0.00 -0.04 2.56 2.53 3kt6A1 MET 116 HE3 -0.14 0.01 -0.22 -0.04 2.10 1.70 3kt6A1 HIS 117 H -0.19 0.11 0.13 -0.55 8.41 7.91 3kt6A1 HIS 117 HA -0.03 0.12 1.02 -0.75 4.63 4.98 3kt6A1 HIS 117 HB2 -0.39 0.11 0.10 -0.04 3.26 3.05 3kt6A1 HIS 117 HB3 -0.28 0.03 -0.14 -0.04 3.20 2.76 3kt6A1 HIS 117 HD2 -0.03 0.01 -0.18 -0.04 6.97 6.72 3kt6A1 HIS 117 HE1 -0.57 0.09 -0.06 -0.04 7.75 7.16 3kt6A1 LEU 118 H -0.15 0.61 0.23 -0.55 8.37 8.51 3kt6A1 LEU 118 HA -0.21 0.11 0.24 -0.75 4.35 3.75 3kt6A1 LEU 118 HB2 -0.28 0.09 0.16 -0.04 1.64 1.57 3kt6A1 LEU 118 HB3 -0.60 -0.00 0.03 -0.04 1.64 1.03 3kt6A1 LEU 118 HG -0.68 0.04 -0.05 -0.04 1.64 0.91 3kt6A1 LEU 118 HD13 -0.41 0.02 -0.06 -0.04 0.93 0.44 3kt6A1 LEU 118 HD23 -0.42 -0.00 -0.03 -0.04 0.89 0.40 3kt6A1 GLY 119 H -0.29 0.05 -0.17 -0.55 8.43 7.48 3kt6A1 GLY 119 HA2 -1.15 0.10 0.39 -0.51 4.01 2.84 3kt6A1 GLY 119 HA3 -0.26 0.05 0.29 -0.51 4.01 3.58 3kt6A1 HIS 120 H -0.26 0.18 -0.26 -0.55 8.41 7.53 3kt6A1 HIS 120 HA 0.02 0.06 0.41 -0.75 4.63 4.37 3kt6A1 HIS 120 HB2 -0.12 0.14 0.04 -0.04 3.26 3.29 3kt6A1 HIS 120 HB3 0.03 0.04 0.04 -0.04 3.20 3.27 3kt6A1 HIS 120 HD2 -0.04 0.06 0.00 -0.04 6.97 6.95 3kt6A1 HIS 120 HE1 -0.47 0.04 0.02 -0.04 7.75 7.30 3kt6A1 MET 121 H -0.02 0.35 -0.44 -0.55 8.47 7.81 3kt6A1 MET 121 HA 0.29 0.05 0.29 -0.75 4.52 4.40 3kt6A1 MET 121 HB2 0.07 0.15 0.04 -0.04 2.15 2.37 3kt6A1 MET 121 HB3 0.30 0.00 0.01 -0.04 2.03 2.30 3kt6A1 MET 121 HG2 -0.03 0.06 -0.06 -0.04 2.63 2.56 3kt6A1 MET 121 HG3 0.08 -0.01 -0.09 -0.04 2.56 2.49 3kt6A1 MET 121 HE3 0.12 0.03 -0.08 -0.04 2.10 2.13 3kt6A1 ILE 122 H -0.07 0.32 -0.28 -0.55 8.25 7.66 3kt6A1 ILE 122 HA 0.07 0.04 0.29 -0.75 4.18 3.82 3kt6A1 ILE 122 HB -0.13 0.10 0.14 -0.04 1.89 1.96 3kt6A1 ILE 122 HG12 -0.48 0.08 0.13 -0.04 1.49 1.19 3kt6A1 ILE 122 HG13 -0.41 -0.03 0.04 -0.04 1.21 0.77 3kt6A1 ILE 122 HG23 -0.33 -0.01 -0.13 -0.04 0.93 0.42 3kt6A1 ILE 122 HD13 -0.44 -0.01 -0.06 -0.04 0.88 0.32 3kt6A1 PRO 123 HA 0.42 0.03 0.37 -0.51 4.44 4.76 3kt6A1 PRO 123 HB2 -0.19 0.13 -0.06 -0.04 2.28 2.12 3kt6A1 PRO 123 HB3 0.08 -0.05 -0.05 -0.04 2.02 1.96 3kt6A1 PRO 123 HG2 -0.05 0.19 0.07 -0.04 2.03 2.20 3kt6A1 PRO 123 HG3 -0.01 -0.07 0.08 -0.04 2.03 1.99 3kt6A1 PRO 123 HD2 0.08 0.17 -0.14 -0.04 3.68 3.75 3kt6A1 PRO 123 HD3 -0.01 0.06 0.09 -0.04 3.65 3.75 3kt6A1 PHE 124 H 0.30 0.24 -0.42 -0.55 8.34 7.91 3kt6A1 PHE 124 HA 0.27 0.07 0.50 -0.75 4.62 4.72 3kt6A1 PHE 124 HB2 0.21 0.06 0.08 -0.04 3.15 3.45 3kt6A1 PHE 124 HB3 0.35 0.03 -0.03 -0.04 3.06 3.38 3kt6A1 PHE 124 HD2 0.14 0.17 -0.02 -0.04 7.28 7.53 3kt6A1 PHE 124 HE2 -0.04 -0.02 -0.11 -0.04 7.38 7.17 3kt6A1 PHE 124 HZ -0.04 -0.06 -0.32 -0.04 7.32 6.86 3kt6A1 VAL 125 H 0.36 0.74 0.04 -0.55 8.24 8.83 3kt6A1 VAL 125 HA 0.20 0.09 0.48 -0.75 4.13 4.15 3kt6A1 VAL 125 HB 0.34 0.10 0.14 -0.04 2.12 2.65 3kt6A1 VAL 125 HG13 0.09 -0.02 -0.13 -0.04 0.97 0.88 3kt6A1 VAL 125 HG23 0.39 0.01 0.01 -0.04 0.95 1.31 3kt6A1 PHE 126 H 0.40 0.48 -0.20 -0.55 8.34 8.47 3kt6A1 PHE 126 HA -0.37 -0.01 0.47 -0.75 4.62 3.95 3kt6A1 PHE 126 HB2 0.29 0.02 0.04 -0.04 3.15 3.46 3kt6A1 PHE 126 HB3 -0.04 0.13 0.07 -0.04 3.06 3.18 3kt6A1 PHE 126 HD2 -0.95 0.01 -0.04 -0.04 7.28 6.26 3kt6A1 PHE 126 HE2 -0.70 -0.04 -0.06 -0.04 7.38 6.53 3kt6A1 PHE 126 HZ -0.36 0.02 -0.08 -0.04 7.32 6.86 3kt6A1 THR 127 H 0.18 0.56 -0.12 -0.55 8.28 8.35 3kt6A1 THR 127 HA -0.09 -0.00 0.37 -0.75 4.39 3.91 3kt6A1 THR 127 HB 0.27 0.05 0.11 -0.04 4.32 4.71 3kt6A1 THR 127 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.10 3kt6A1 LYS 128 H 0.22 0.55 -0.26 -0.55 8.42 8.37 3kt6A1 LYS 128 HA 0.20 0.03 0.35 -0.75 4.32 4.15 3kt6A1 LYS 128 HB2 -0.52 0.02 0.00 -0.04 1.87 1.34 3kt6A1 LYS 128 HB3 -0.01 0.11 0.09 -0.04 1.79 1.94 3kt6A1 LYS 128 HG2 -0.03 -0.05 -0.26 -0.04 1.46 1.08 3kt6A1 LYS 128 HG3 -0.22 -0.03 -0.10 -0.04 1.46 1.07 3kt6A1 LYS 128 HD2 -0.40 -0.04 -0.35 -0.04 1.69 0.87 3kt6A1 LYS 128 HD3 -0.18 -0.00 -0.10 -0.04 1.68 1.36 3kt6A1 LYS 128 HE2 -0.05 0.12 0.05 -0.04 2.99 3.08 3kt6A1 LYS 128 HE3 0.00 -0.10 -0.03 -0.04 2.99 2.82 3kt6A1 TRP 129 H 0.13 0.33 -0.31 -0.55 7.97 7.58 3kt6A1 TRP 129 HA -0.08 0.04 0.44 -0.75 4.62 4.27 3kt6A1 TRP 129 HB2 -0.10 0.01 0.12 -0.04 3.23 3.22 3kt6A1 TRP 129 HB3 -0.42 0.11 0.20 -0.04 3.23 3.09 3kt6A1 TRP 129 HD1 0.04 0.02 0.02 -0.04 7.22 7.26 3kt6A1 TRP 129 HE1 0.04 0.07 -0.04 -0.04 10.20 10.23 3kt6A1 TRP 129 HE3 -0.90 0.13 -0.02 -0.04 7.59 6.76 3kt6A1 TRP 129 HZ2 0.08 0.28 -0.07 -0.04 7.44 7.69 3kt6A1 TRP 129 HZ3 -0.48 0.02 -0.04 -0.04 7.13 6.59 3kt6A1 TRP 129 HH2 -0.95 0.02 -0.02 -0.04 7.19 6.20 3kt6A1 LEU 130 H -0.17 0.65 0.02 -0.55 8.37 8.33 3kt6A1 LEU 130 HA -0.87 -0.03 0.38 -0.75 4.35 3.07 3kt6A1 LEU 130 HB2 -0.22 0.10 0.12 -0.04 1.64 1.60 3kt6A1 LEU 130 HB3 -0.05 0.02 -0.06 -0.04 1.64 1.51 3kt6A1 LEU 130 HG -0.87 -0.01 -0.00 -0.04 1.64 0.72 3kt6A1 LEU 130 HD13 -0.44 -0.02 -0.13 -0.04 0.93 0.30 3kt6A1 LEU 130 HD23 -0.09 -0.01 -0.05 -0.04 0.89 0.69 3kt6A1 GLN 131 H -0.07 0.55 -0.37 -0.55 8.47 8.03 3kt6A1 GLN 131 HA -0.01 0.02 0.42 -0.75 4.36 4.03 3kt6A1 GLN 131 HB2 0.10 0.02 0.05 -0.04 2.15 2.28 3kt6A1 GLN 131 HB3 0.09 0.13 0.13 -0.04 2.02 2.33 3kt6A1 GLN 131 HG2 0.06 -0.07 -0.15 -0.04 2.40 2.20 3kt6A1 GLN 131 HG3 0.03 0.24 0.08 -0.04 2.39 2.70 3kt6A1 GLN 131 HE21 0.16 -0.09 -0.16 -0.04 6.97 6.84 3kt6A1 GLN 131 HE22 0.06 0.22 0.06 -0.04 7.69 7.99 3kt6A1 GLU 132 H -0.14 0.40 -0.05 -0.55 8.60 8.26 3kt6A1 GLU 132 HA -0.05 0.07 0.61 -0.75 4.29 4.17 3kt6A1 GLU 132 HB2 -0.07 -0.03 0.03 -0.04 2.09 1.97 3kt6A1 GLU 132 HB3 -0.03 -0.03 0.09 -0.04 1.99 1.99 3kt6A1 GLU 132 HG2 -0.10 0.23 0.29 -0.04 2.34 2.72 3kt6A1 GLU 132 HG3 -0.14 -0.05 0.08 -0.04 2.34 2.19 3kt6A1 VAL 133 H -0.60 0.58 -0.06 -0.55 8.24 7.61 3kt6A1 VAL 133 HA -0.40 0.04 0.46 -0.75 4.13 3.48 3kt6A1 VAL 133 HB -1.38 0.06 0.08 -0.04 2.12 0.84 3kt6A1 VAL 133 HG13 -1.06 -0.01 -0.19 -0.04 0.97 -0.33 3kt6A1 VAL 133 HG23 -0.82 -0.04 -0.03 -0.04 0.95 0.02 3kt6A1 PHE 134 H -0.27 0.40 -0.22 -0.55 8.34 7.70 3kt6A1 PHE 134 HA -0.36 0.17 0.70 -0.75 4.62 4.38 3kt6A1 PHE 134 HB2 -0.11 0.13 0.04 -0.04 3.15 3.17 3kt6A1 PHE 134 HB3 -0.02 0.00 -0.01 -0.04 3.06 3.00 3kt6A1 PHE 134 HD2 -0.50 0.08 -0.05 -0.04 7.28 6.77 3kt6A1 PHE 134 HE2 -0.15 -0.05 -0.09 -0.04 7.38 7.05 3kt6A1 PHE 134 HZ 0.21 -0.09 -0.10 -0.04 7.32 7.30 3kt6A1 ASP 135 H -0.01 0.23 -0.22 -0.55 8.40 7.85 3kt6A1 ASP 135 HA 0.06 0.06 0.41 -0.75 4.63 4.41 3kt6A1 ASP 135 HB2 0.09 0.10 -0.10 -0.04 2.71 2.75 3kt6A1 ASP 135 HB3 0.17 0.16 0.12 -0.04 2.70 3.10 3kt6A1 VAL 136 H -0.04 0.19 0.05 -0.55 8.24 7.90 3kt6A1 VAL 136 HA -0.40 0.19 0.95 -0.75 4.13 4.12 3kt6A1 VAL 136 HB -0.61 0.18 0.17 -0.04 2.12 1.82 3kt6A1 VAL 136 HG13 -1.02 0.02 -0.17 -0.04 0.97 -0.24 3kt6A1 VAL 136 HG23 -0.15 -0.05 -0.16 -0.04 0.95 0.55 3kt6A1 PRO 137 HA -0.14 0.26 0.72 -0.51 4.44 4.77 3kt6A1 PRO 137 HB2 -0.43 0.00 -0.03 -0.04 2.28 1.78 3kt6A1 PRO 137 HB3 -0.45 0.04 0.01 -0.04 2.02 1.58 3kt6A1 PRO 137 HG2 -0.75 -0.06 0.05 -0.04 2.03 1.23 3kt6A1 PRO 137 HG3 -2.33 0.08 0.03 -0.04 2.03 -0.23 3kt6A1 PRO 137 HD2 -0.97 0.30 0.38 -0.04 3.68 3.35 3kt6A1 PRO 137 HD3 -2.70 0.12 0.22 -0.04 3.65 1.24 3kt6A1 LEU 138 H -0.08 0.51 0.32 -0.55 8.37 8.58 3kt6A1 LEU 138 HA -0.01 0.24 1.10 -0.75 4.35 4.92 3kt6A1 LEU 138 HB2 -0.01 0.02 -0.12 -0.04 1.64 1.48 3kt6A1 LEU 138 HB3 -0.00 0.08 0.15 -0.04 1.64 1.83 3kt6A1 LEU 138 HG -0.10 -0.06 -0.40 -0.04 1.64 1.03 3kt6A1 LEU 138 HD13 -0.03 0.02 -0.21 -0.04 0.93 0.67 3kt6A1 LEU 138 HD23 -0.20 -0.02 -0.15 -0.04 0.89 0.48 3kt6A1 VAL 139 H 0.06 0.74 0.38 -0.55 8.24 8.87 3kt6A1 VAL 139 HA -0.00 0.28 1.12 -0.75 4.13 4.77 3kt6A1 VAL 139 HB -0.09 -0.06 0.02 -0.04 2.12 1.94 3kt6A1 VAL 139 HG13 -0.82 -0.00 -0.12 -0.04 0.97 -0.02 3kt6A1 VAL 139 HG23 0.03 0.04 0.07 -0.04 0.95 1.05 3kt6A1 ILE 140 H -0.02 0.83 0.39 -0.55 8.25 8.89 3kt6A1 ILE 140 HA 0.05 0.45 1.10 -0.75 4.18 5.02 3kt6A1 ILE 140 HB -0.10 -0.01 0.10 -0.04 1.89 1.83 3kt6A1 ILE 140 HG12 -0.01 -0.03 -0.15 -0.04 1.49 1.27 3kt6A1 ILE 140 HG13 -0.09 0.00 -0.55 -0.04 1.21 0.53 3kt6A1 ILE 140 HG23 0.07 -0.04 -0.24 -0.04 0.93 0.68 3kt6A1 ILE 140 HD13 -0.38 -0.01 -0.19 -0.04 0.88 0.27 3kt6A1 GLU 141 H 0.03 0.47 0.34 -0.55 8.60 8.90 3kt6A1 GLU 141 HA -1.31 0.20 0.85 -0.75 4.29 3.27 3kt6A1 GLU 141 HB2 0.07 0.13 -0.03 -0.04 2.09 2.22 3kt6A1 GLU 141 HB3 0.17 -0.04 0.09 -0.04 1.99 2.17 3kt6A1 GLU 141 HG2 -0.04 -0.15 -0.43 -0.04 2.34 1.67 3kt6A1 GLU 141 HG3 -0.20 0.03 -0.11 -0.04 2.34 2.02 3kt6A1 LEU 142 H -0.49 0.81 0.42 -0.55 8.37 8.56 3kt6A1 LEU 142 HA -0.06 0.41 1.09 -0.75 4.35 5.04 3kt6A1 LEU 142 HB2 -0.09 -0.10 0.29 -0.04 1.64 1.69 3kt6A1 LEU 142 HB3 -0.03 -0.07 0.12 -0.04 1.64 1.62 3kt6A1 LEU 142 HG -0.18 0.09 -0.19 -0.04 1.64 1.32 3kt6A1 LEU 142 HD13 -0.08 -0.00 -0.14 -0.04 0.93 0.67 3kt6A1 LEU 142 HD23 -0.07 0.01 -0.14 -0.04 0.89 0.65 3kt6A1 THR 143 H 0.04 0.57 0.17 -0.55 8.28 8.51 3kt6A1 THR 143 HA 0.20 0.05 0.50 -0.75 4.39 4.38 3kt6A1 THR 143 HB 0.18 -0.12 0.11 -0.04 4.32 4.45 3kt6A1 THR 143 HG23 0.29 0.06 -0.14 -0.04 1.22 1.39 3kt6A1 ASP 144 H 0.10 0.42 0.10 -0.55 8.40 8.47 3kt6A1 ASP 144 HA 0.11 0.17 0.42 -0.75 4.63 4.57 3kt6A1 ASP 144 HB2 0.08 -0.01 -0.11 -0.04 2.71 2.63 3kt6A1 ASP 144 HB3 0.08 0.21 0.06 -0.04 2.70 3.01 3kt6A1 ASP 145 H 0.16 0.06 -0.03 -0.55 8.40 8.04 3kt6A1 ASP 145 HA 0.13 0.10 0.40 -0.75 4.63 4.52 3kt6A1 ASP 145 HB2 0.21 0.09 -0.06 -0.04 2.71 2.92 3kt6A1 ASP 145 HB3 0.14 0.03 0.04 -0.04 2.70 2.88 3kt6A1 GLU 146 H -0.03 0.06 -0.35 -0.55 8.60 7.74 3kt6A1 GLU 146 HA -0.31 0.07 0.36 -0.75 4.29 3.65 3kt6A1 GLU 146 HB2 -1.76 -0.04 0.04 -0.04 2.09 0.29 3kt6A1 GLU 146 HB3 -0.26 0.19 0.09 -0.04 1.99 1.96 3kt6A1 GLU 146 HG2 -0.13 -0.01 -0.23 -0.04 2.34 1.93 3kt6A1 GLU 146 HG3 -0.69 0.01 -0.04 -0.04 2.34 1.58 3kt6A1 LYS 147 H 0.06 0.38 -0.20 -0.55 8.42 8.11 3kt6A1 LYS 147 HA 0.14 0.03 0.29 -0.75 4.32 4.02 3kt6A1 LYS 147 HB2 0.14 0.08 0.05 -0.04 1.87 2.10 3kt6A1 LYS 147 HB3 0.14 0.01 -0.11 -0.04 1.79 1.79 3kt6A1 LYS 147 HG2 0.05 0.09 -0.11 -0.04 1.46 1.45 3kt6A1 LYS 147 HG3 0.07 -0.08 -0.72 -0.04 1.46 0.69 3kt6A1 LYS 147 HD2 0.06 0.01 -0.16 -0.04 1.69 1.56 3kt6A1 LYS 147 HD3 0.09 0.00 -0.11 -0.04 1.68 1.62 3kt6A1 LYS 147 HE2 -0.02 -0.03 -0.12 -0.04 2.99 2.79 3kt6A1 LYS 147 HE3 0.01 -0.10 -0.06 -0.04 2.99 2.80 3kt6A1 PHE 148 H 0.25 0.51 -0.16 -0.55 8.34 8.39 3kt6A1 PHE 148 HA 0.05 0.09 0.40 -0.75 4.62 4.40 3kt6A1 PHE 148 HB2 0.03 -0.07 -0.04 -0.04 3.15 3.04 3kt6A1 PHE 148 HB3 0.04 0.07 0.09 -0.04 3.06 3.22 3kt6A1 PHE 148 HD2 0.02 -0.01 -0.37 -0.04 7.28 6.87 3kt6A1 PHE 148 HE2 0.01 -0.09 -0.02 -0.04 7.38 7.23 3kt6A1 PHE 148 HZ 0.01 -0.01 -0.01 -0.04 7.32 7.26 3kt6A1 LEU 149 H 0.20 0.47 -0.27 -0.55 8.37 8.22 3kt6A1 LEU 149 HA -0.10 -0.00 0.34 -0.75 4.35 3.84 3kt6A1 LEU 149 HB2 0.08 0.14 0.15 -0.04 1.64 1.97 3kt6A1 LEU 149 HB3 -0.24 -0.05 -0.14 -0.04 1.64 1.16 3kt6A1 LEU 149 HG -0.02 -0.21 -0.22 -0.04 1.64 1.15 3kt6A1 LEU 149 HD13 0.21 -0.01 -0.06 -0.04 0.93 1.03 3kt6A1 LEU 149 HD23 0.19 0.03 -0.18 -0.04 0.89 0.89 3kt6A1 PHE 150 H 0.22 0.41 -0.20 -0.55 8.34 8.21 3kt6A1 PHE 150 HA -0.07 0.09 0.61 -0.75 4.62 4.49 3kt6A1 PHE 150 HB2 0.03 0.05 0.02 -0.04 3.15 3.21 3kt6A1 PHE 150 HB3 0.00 -0.03 0.03 -0.04 3.06 3.02 3kt6A1 PHE 150 HD2 -0.17 0.16 0.01 -0.04 7.28 7.24 3kt6A1 PHE 150 HE2 -0.17 -0.01 -0.03 -0.04 7.38 7.12 3kt6A1 PHE 150 HZ 0.41 0.04 -0.03 -0.04 7.32 7.70 3kt6A1 LYS 151 H 0.02 0.45 -0.31 -0.55 8.42 8.02 3kt6A1 LYS 151 HA -0.01 0.11 0.95 -0.75 4.32 4.62 3kt6A1 LYS 151 HB2 0.00 -0.04 0.22 -0.04 1.87 2.01 3kt6A1 LYS 151 HB3 -0.03 -0.06 0.12 -0.04 1.79 1.78 3kt6A1 LYS 151 HG2 0.13 -0.07 -0.49 -0.04 1.46 0.98 3kt6A1 LYS 151 HG3 0.10 0.06 0.03 -0.04 1.46 1.61 3kt6A1 LYS 151 HD2 0.08 -0.04 -0.01 -0.04 1.69 1.68 3kt6A1 LYS 151 HD3 0.05 -0.02 0.03 -0.04 1.68 1.69 3kt6A1 LYS 151 HE2 0.05 -0.01 0.03 -0.04 2.99 3.02 3kt6A1 LYS 151 HE3 0.12 0.05 -0.08 -0.04 2.99 3.03 3kt6A1 HIS 152 H 0.04 0.19 0.01 -0.55 8.41 8.10 3kt6A1 HIS 152 HA -0.21 0.16 0.27 -0.75 4.63 4.08 3kt6A1 HIS 152 HB2 -0.09 0.01 0.07 -0.04 3.26 3.20 3kt6A1 HIS 152 HB3 -0.11 0.03 0.09 -0.04 3.20 3.17 3kt6A1 HIS 152 HD2 -0.04 0.06 0.07 -0.04 6.97 7.02 3kt6A1 HIS 152 HE1 -0.02 -0.01 -0.03 -0.04 7.75 7.66 3kt6A1 LYS 153 H -0.53 -0.04 -0.50 -0.55 8.42 6.79 3kt6A1 LYS 153 HA -0.12 0.06 0.42 -0.75 4.32 3.92 3kt6A1 LYS 153 HB2 -0.41 -0.04 0.06 -0.04 1.87 1.44 3kt6A1 LYS 153 HB3 -0.13 0.01 -0.00 -0.04 1.79 1.63 3kt6A1 LYS 153 HG2 -0.04 -0.02 -0.03 -0.04 1.46 1.32 3kt6A1 LYS 153 HG3 -0.06 0.01 0.05 -0.04 1.46 1.42 3kt6A1 LYS 153 HD2 -0.07 0.01 0.00 -0.04 1.69 1.59 3kt6A1 LYS 153 HD3 -0.02 -0.01 0.00 -0.04 1.68 1.61 3kt6A1 LYS 153 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 3kt6A1 LYS 153 HE3 -0.28 -0.02 0.00 -0.04 2.99 2.65 3kt6A1 LEU 154 H -0.09 0.26 -0.04 -0.55 8.37 7.96 3kt6A1 LEU 154 HA 0.03 -0.06 0.39 -0.75 4.35 3.96 3kt6A1 LEU 154 HB2 0.05 0.17 0.04 -0.04 1.64 1.87 3kt6A1 LEU 154 HB3 0.11 -0.12 0.04 -0.04 1.64 1.63 3kt6A1 LEU 154 HG 0.04 -0.05 0.08 -0.04 1.64 1.66 3kt6A1 LEU 154 HD13 0.18 0.05 -0.03 -0.04 0.93 1.09 3kt6A1 LEU 154 HD23 0.24 -0.01 -0.04 -0.04 0.89 1.05 3kt6A1 THR 155 H 0.04 -0.03 0.21 -0.55 8.28 7.96 3kt6A1 THR 155 HA 0.30 0.35 0.87 -0.75 4.39 5.16 3kt6A1 THR 155 HB 0.09 -0.04 0.20 -0.04 4.32 4.53 3kt6A1 THR 155 HG23 0.04 0.07 0.01 -0.04 1.22 1.30 3kt6A1 ILE 156 H 0.10 0.23 0.16 -0.55 8.25 8.20 3kt6A1 ILE 156 HA -0.12 0.10 0.43 -0.75 4.18 3.83 3kt6A1 ILE 156 HB -0.10 -0.00 0.14 -0.04 1.89 1.88 3kt6A1 ILE 156 HG12 -0.72 0.02 0.05 -0.04 1.49 0.80 3kt6A1 ILE 156 HG13 -0.37 0.06 0.03 -0.04 1.21 0.90 3kt6A1 ILE 156 HG23 -0.12 0.01 -0.10 -0.04 0.93 0.68 3kt6A1 ILE 156 HD13 -0.77 0.01 -0.02 -0.04 0.88 0.06 3kt6A1 ASN 157 H -0.02 0.10 -0.09 -0.55 8.53 7.97 3kt6A1 ASN 157 HA -0.06 0.13 0.51 -0.75 4.76 4.59 3kt6A1 ASN 157 HB2 -0.04 -0.04 0.09 -0.04 2.88 2.85 3kt6A1 ASN 157 HB3 -0.06 0.07 -0.05 -0.04 2.79 2.70 3kt6A1 ASN 157 HD21 -0.02 0.05 0.01 -0.04 7.03 7.03 3kt6A1 ASN 157 HD22 -0.02 0.01 0.02 -0.04 7.74 7.71 3kt6A1 ASP 158 H -0.09 0.03 -0.21 -0.55 8.40 7.58 3kt6A1 ASP 158 HA -0.47 0.06 0.34 -0.75 4.63 3.81 3kt6A1 ASP 158 HB2 -0.09 0.06 0.22 -0.04 2.71 2.86 3kt6A1 ASP 158 HB3 -0.38 0.09 -0.01 -0.04 2.70 2.36 3kt6A1 VAL 159 H -0.08 0.45 -0.20 -0.55 8.24 7.87 3kt6A1 VAL 159 HA 0.03 0.13 0.36 -0.75 4.13 3.90 3kt6A1 VAL 159 HB 0.12 -0.11 0.09 -0.04 2.12 2.18 3kt6A1 VAL 159 HG13 0.20 0.04 -0.07 -0.04 0.97 1.10 3kt6A1 VAL 159 HG23 0.07 0.04 -0.05 -0.04 0.95 0.96 3kt6A1 LYS 160 H -0.07 0.42 -0.19 -0.55 8.42 8.03 3kt6A1 LYS 160 HA 0.01 -0.03 0.56 -0.75 4.32 4.11 3kt6A1 LYS 160 HB2 -0.05 0.11 0.22 -0.04 1.87 2.11 3kt6A1 LYS 160 HB3 -0.01 0.00 -0.01 -0.04 1.79 1.73 3kt6A1 LYS 160 HG2 0.01 -0.04 0.04 -0.04 1.46 1.43 3kt6A1 LYS 160 HG3 -0.01 -0.08 0.04 -0.04 1.46 1.37 3kt6A1 LYS 160 HD2 -0.03 -0.04 -0.04 -0.04 1.69 1.53 3kt6A1 LYS 160 HD3 -0.04 0.02 -0.10 -0.04 1.68 1.52 3kt6A1 LYS 160 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 3kt6A1 LYS 160 HE3 0.00 0.02 -0.04 -0.04 2.99 2.93 3kt6A1 ASN 161 H -0.14 0.58 -0.12 -0.55 8.53 8.30 3kt6A1 ASN 161 HA -0.02 0.06 0.55 -0.75 4.76 4.59 3kt6A1 ASN 161 HB2 -0.27 0.12 0.14 -0.04 2.88 2.83 3kt6A1 ASN 161 HB3 -0.05 -0.04 -0.02 -0.04 2.79 2.65 3kt6A1 ASN 161 HD21 -0.07 -0.05 -0.07 -0.04 7.03 6.80 3kt6A1 ASN 161 HD22 -0.13 -0.04 -0.10 -0.04 7.74 7.43 3kt6A1 PHE 162 H -0.22 0.61 -0.01 -0.55 8.34 8.17 3kt6A1 PHE 162 HA -0.01 -0.01 0.31 -0.75 4.62 4.16 3kt6A1 PHE 162 HB2 0.01 0.11 0.09 -0.04 3.15 3.32 3kt6A1 PHE 162 HB3 -0.00 -0.03 -0.17 -0.04 3.06 2.82 3kt6A1 PHE 162 HD2 0.01 0.09 -0.20 -0.04 7.28 7.13 3kt6A1 PHE 162 HE2 0.01 0.00 -0.15 -0.04 7.38 7.20 3kt6A1 PHE 162 HZ 0.00 0.00 -0.08 -0.04 7.32 7.21 3kt6A1 ALA 163 H 0.11 0.47 -0.34 -0.55 8.40 8.09 3kt6A1 ALA 163 HA 0.04 -0.02 0.37 -0.75 4.34 3.98 3kt6A1 ALA 163 HB3 0.04 0.04 0.14 -0.04 1.41 1.59 3kt6A1 ARG 164 H 0.04 0.39 -0.19 -0.55 8.46 8.15 3kt6A1 ARG 164 HA 0.00 0.06 0.44 -0.75 4.34 4.09 3kt6A1 ARG 164 HB2 0.02 0.10 0.16 -0.04 1.90 2.14 3kt6A1 ARG 164 HB3 0.01 -0.02 0.01 -0.04 1.80 1.77 3kt6A1 ARG 164 HG2 0.02 -0.01 0.02 -0.04 1.67 1.67 3kt6A1 ARG 164 HG3 0.02 0.11 0.09 -0.04 1.67 1.85 3kt6A1 ARG 164 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 3kt6A1 ARG 164 HD3 0.02 -0.01 0.01 -0.04 3.22 3.19 3kt6A1 GLU 165 H 0.06 0.46 -0.13 -0.55 8.60 8.43 3kt6A1 GLU 165 HA 0.01 0.06 0.52 -0.75 4.29 4.13 3kt6A1 GLU 165 HB2 0.10 0.03 0.19 -0.04 2.09 2.37 3kt6A1 GLU 165 HB3 0.04 0.13 0.10 -0.04 1.99 2.21 3kt6A1 GLU 165 HG2 0.06 0.06 0.02 -0.04 2.34 2.44 3kt6A1 GLU 165 HG3 0.08 -0.08 -0.00 -0.04 2.34 2.29 3kt6A1 ASN 166 H 0.02 0.74 -0.02 -0.55 8.53 8.72 3kt6A1 ASN 166 HA -0.04 -0.02 0.46 -0.75 4.76 4.41 3kt6A1 ASN 166 HB2 -0.02 0.10 0.05 -0.04 2.88 2.97 3kt6A1 ASN 166 HB3 -0.08 -0.06 -0.09 -0.04 2.79 2.51 3kt6A1 ASN 166 HD21 -0.08 0.05 -0.15 -0.04 7.03 6.82 3kt6A1 ASN 166 HD22 -0.01 -0.08 -0.14 -0.04 7.74 7.48 3kt6A1 ALA 167 H -0.04 0.48 -0.29 -0.55 8.40 8.01 3kt6A1 ALA 167 HA -0.13 0.01 0.42 -0.75 4.34 3.88 3kt6A1 ALA 167 HB3 -0.07 0.06 0.05 -0.04 1.41 1.41 3kt6A1 LYS 168 H -0.06 0.38 -0.29 -0.55 8.42 7.89 3kt6A1 LYS 168 HA -0.13 0.04 0.45 -0.75 4.32 3.93 3kt6A1 LYS 168 HB2 -0.04 0.16 0.21 -0.04 1.87 2.17 3kt6A1 LYS 168 HB3 -0.07 -0.01 -0.02 -0.04 1.79 1.65 3kt6A1 LYS 168 HG2 -0.06 -0.00 0.02 -0.04 1.46 1.37 3kt6A1 LYS 168 HG3 -0.04 0.03 0.04 -0.04 1.46 1.44 3kt6A1 LYS 168 HD2 -0.01 -0.07 -0.00 -0.04 1.69 1.57 3kt6A1 LYS 168 HD3 -0.03 0.02 0.02 -0.04 1.68 1.64 3kt6A1 LYS 168 HE2 -0.02 0.21 -0.07 -0.04 2.99 3.06 3kt6A1 LYS 168 HE3 -0.01 -0.13 -0.09 -0.04 2.99 2.72 3kt6A1 ASP 169 H -0.03 0.40 -0.12 -0.55 8.40 8.11 3kt6A1 ASP 169 HA 0.11 0.04 0.41 -0.75 4.63 4.43 3kt6A1 ASP 169 HB2 -0.01 0.15 0.16 -0.04 2.71 2.97 3kt6A1 ASP 169 HB3 0.17 -0.07 -0.05 -0.04 2.70 2.71 3kt6A1 ILE 170 H -0.13 0.54 -0.25 -0.55 8.25 7.86 3kt6A1 ILE 170 HA -0.17 -0.02 0.34 -0.75 4.18 3.57 3kt6A1 ILE 170 HB -0.22 0.12 0.09 -0.04 1.89 1.84 3kt6A1 ILE 170 HG12 -1.37 -0.05 -0.09 -0.04 1.49 -0.05 3kt6A1 ILE 170 HG13 -0.44 -0.02 -0.05 -0.04 1.21 0.66 3kt6A1 ILE 170 HG23 -0.15 -0.01 -0.20 -0.04 0.93 0.53 3kt6A1 ILE 170 HD13 -0.20 -0.02 -0.20 -0.04 0.88 0.42 3kt6A1 ILE 171 H -0.20 0.59 -0.13 -0.55 8.25 7.96 3kt6A1 ILE 171 HA -0.19 -0.01 0.39 -0.75 4.18 3.61 3kt6A1 ILE 171 HB -0.26 0.08 0.14 -0.04 1.89 1.80 3kt6A1 ILE 171 HG12 -2.10 0.00 -0.05 -0.04 1.49 -0.70 3kt6A1 ILE 171 HG13 -0.65 0.02 0.01 -0.04 1.21 0.55 3kt6A1 ILE 171 HG23 -0.20 -0.00 -0.14 -0.04 0.93 0.55 3kt6A1 ILE 171 HD13 -0.33 -0.03 -0.15 -0.04 0.88 0.33 3kt6A1 ALA 172 H -0.18 0.47 -0.36 -0.55 8.40 7.77 3kt6A1 ALA 172 HA -0.24 0.03 0.24 -0.75 4.34 3.62 3kt6A1 ALA 172 HB3 -0.84 0.04 0.08 -0.04 1.41 0.65 3kt6A1 VAL 173 H 0.06 0.36 -0.50 -0.55 8.24 7.61 3kt6A1 VAL 173 HA 0.14 -0.02 0.50 -0.75 4.13 3.99 3kt6A1 VAL 173 HB 0.02 0.11 0.02 -0.04 2.12 2.23 3kt6A1 VAL 173 HG13 0.04 -0.03 -0.17 -0.04 0.97 0.77 3kt6A1 VAL 173 HG23 0.26 -0.01 0.01 -0.04 0.95 1.16 3kt6A1 GLY 174 H -0.06 0.32 -0.14 -0.55 8.43 8.00 3kt6A1 GLY 174 HA2 -0.04 0.04 0.17 -0.51 4.01 3.67 3kt6A1 GLY 174 HA3 -0.10 0.11 0.79 -0.51 4.01 4.30 3kt6A1 PHE 175 H 0.09 0.07 0.13 -0.55 8.34 8.08 3kt6A1 PHE 175 HA 0.14 0.09 0.49 -0.75 4.62 4.58 3kt6A1 PHE 175 HB2 0.15 -0.02 -0.03 -0.04 3.15 3.20 3kt6A1 PHE 175 HB3 0.29 0.06 -0.06 -0.04 3.06 3.31 3kt6A1 PHE 175 HD2 0.07 0.11 -0.06 -0.04 7.28 7.35 3kt6A1 PHE 175 HE2 0.15 -0.02 -0.16 -0.04 7.38 7.31 3kt6A1 PHE 175 HZ 0.27 0.01 -0.03 -0.04 7.32 7.53 3kt6A1 ASP 176 H 0.33 0.16 0.13 -0.55 8.40 8.48 3kt6A1 ASP 176 HA 0.19 0.23 0.87 -0.75 4.63 5.16 3kt6A1 ASP 176 HB2 0.11 0.07 0.04 -0.04 2.71 2.90 3kt6A1 ASP 176 HB3 0.10 -0.06 0.08 -0.04 2.70 2.79 3kt6A1 PRO 177 HA -0.72 0.23 0.47 -0.51 4.44 3.92 3kt6A1 PRO 177 HB2 -0.50 0.15 -0.06 -0.04 2.28 1.84 3kt6A1 PRO 177 HB3 -1.28 0.01 -0.13 -0.04 2.02 0.58 3kt6A1 PRO 177 HG2 -0.23 -0.02 0.08 -0.04 2.03 1.83 3kt6A1 PRO 177 HG3 -0.31 0.00 0.05 -0.04 2.03 1.73 3kt6A1 PRO 177 HD2 -0.07 0.05 0.24 -0.04 3.68 3.85 3kt6A1 PRO 177 HD3 -0.24 0.19 0.14 -0.04 3.65 3.69 3kt6A1 LYS 178 H -0.07 0.02 -0.20 -0.55 8.42 7.62 3kt6A1 LYS 178 HA 0.04 0.08 0.35 -0.75 4.32 4.03 3kt6A1 LYS 178 HB2 -0.00 -0.07 0.10 -0.04 1.87 1.86 3kt6A1 LYS 178 HB3 0.04 0.02 0.02 -0.04 1.79 1.84 3kt6A1 LYS 178 HG2 0.05 0.06 0.06 -0.04 1.46 1.58 3kt6A1 LYS 178 HG3 0.01 -0.03 0.07 -0.04 1.46 1.47 3kt6A1 LYS 178 HD2 0.01 -0.06 -0.00 -0.04 1.69 1.60 3kt6A1 LYS 178 HD3 0.03 0.06 -0.05 -0.04 1.68 1.68 3kt6A1 LYS 178 HE2 0.00 0.03 -0.01 -0.04 2.99 2.97 3kt6A1 LYS 178 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.90 3kt6A1 ASN 179 H 0.08 0.12 -0.31 -0.55 8.53 7.88 3kt6A1 ASN 179 HA 0.12 0.14 0.95 -0.75 4.76 5.22 3kt6A1 ASN 179 HB2 0.11 -0.02 0.12 -0.04 2.88 3.06 3kt6A1 ASN 179 HB3 0.15 0.32 0.02 -0.04 2.79 3.25 3kt6A1 ASN 179 HD21 0.10 -0.08 -0.03 -0.04 7.03 6.99 3kt6A1 ASN 179 HD22 0.11 0.05 -0.03 -0.04 7.74 7.83 3kt6A1 THR 180 H 0.11 0.43 -0.10 -0.55 8.28 8.17 3kt6A1 THR 180 HA 0.07 0.21 1.07 -0.75 4.39 4.98 3kt6A1 THR 180 HB 0.34 -0.01 -0.08 -0.04 4.32 4.52 3kt6A1 THR 180 HG23 -0.02 -0.04 -0.21 -0.04 1.22 0.91 3kt6A1 PHE 181 H 0.11 0.70 0.35 -0.55 8.34 8.94 3kt6A1 PHE 181 HA 0.12 0.38 0.99 -0.75 4.62 5.36 3kt6A1 PHE 181 HB2 -0.29 0.09 -0.00 -0.04 3.15 2.90 3kt6A1 PHE 181 HB3 -0.22 -0.07 0.21 -0.04 3.06 2.94 3kt6A1 PHE 181 HD2 -0.17 0.13 -0.02 -0.04 7.28 7.18 3kt6A1 PHE 181 HE2 -0.59 0.07 -0.25 -0.04 7.38 6.57 3kt6A1 PHE 181 HZ -0.65 -0.07 -0.05 -0.04 7.32 6.51 3kt6A1 ILE 182 H 0.07 0.61 0.12 -0.55 8.25 8.50 3kt6A1 ILE 182 HA -0.22 0.17 1.03 -0.75 4.18 4.41 3kt6A1 ILE 182 HB -0.02 -0.00 -0.02 -0.04 1.89 1.81 3kt6A1 ILE 182 HG12 -0.11 -0.01 -0.17 -0.04 1.49 1.15 3kt6A1 ILE 182 HG13 0.15 0.04 -0.30 -0.04 1.21 1.05 3kt6A1 ILE 182 HG23 -0.15 -0.04 -0.14 -0.04 0.93 0.56 3kt6A1 ILE 182 HD13 -0.32 -0.01 -0.13 -0.04 0.88 0.39 3kt6A1 PHE 183 H -0.52 0.64 0.33 -0.55 8.34 8.24 3kt6A1 PHE 183 HA -0.29 0.21 1.04 -0.75 4.62 4.83 3kt6A1 PHE 183 HB2 -0.32 -0.01 -0.00 -0.04 3.15 2.78 3kt6A1 PHE 183 HB3 -1.51 0.15 -0.24 -0.04 3.06 1.42 3kt6A1 PHE 183 HD2 -0.33 0.05 -0.35 -0.04 7.28 6.61 3kt6A1 PHE 183 HE2 0.03 -0.02 -0.20 -0.04 7.38 7.15 3kt6A1 PHE 183 HZ 0.06 0.03 -0.12 -0.04 7.32 7.25 3kt6A1 SER 184 H 0.11 0.26 0.17 -0.55 8.46 8.45 3kt6A1 SER 184 HA 0.00 0.17 0.98 -0.75 4.49 4.88 3kt6A1 SER 184 HB2 0.05 0.09 0.14 -0.04 3.95 4.18 3kt6A1 SER 184 HB3 0.10 0.12 0.20 -0.04 3.93 4.32 3kt6A1 ASP 185 H 0.14 0.54 0.35 -0.55 8.40 8.88 3kt6A1 ASP 185 HA 0.58 0.18 0.37 -0.75 4.63 5.01 3kt6A1 ASP 185 HB2 0.26 -0.26 0.29 -0.04 2.71 2.95 3kt6A1 ASP 185 HB3 0.35 0.05 -0.01 -0.04 2.70 3.05 3kt6A1 LEU 186 H 0.17 -0.01 -0.05 -0.55 8.37 7.94 3kt6A1 LEU 186 HA 0.12 0.09 0.36 -0.75 4.35 4.16 3kt6A1 LEU 186 HB2 0.08 -0.03 0.07 -0.04 1.64 1.71 3kt6A1 LEU 186 HB3 0.04 0.11 -0.00 -0.04 1.64 1.74 3kt6A1 LEU 186 HG 0.08 -0.22 0.05 -0.04 1.64 1.51 3kt6A1 LEU 186 HD13 -0.01 0.02 -0.06 -0.04 0.93 0.83 3kt6A1 LEU 186 HD23 -0.02 0.03 -0.00 -0.04 0.89 0.86 3kt6A1 GLN 187 H 0.18 0.00 -0.35 -0.55 8.47 7.76 3kt6A1 GLN 187 HA 0.12 0.09 0.40 -0.75 4.36 4.21 3kt6A1 GLN 187 HB2 0.12 -0.13 0.09 -0.04 2.15 2.18 3kt6A1 GLN 187 HB3 0.19 0.04 0.11 -0.04 2.02 2.32 3kt6A1 GLN 187 HG2 0.17 0.10 0.01 -0.04 2.40 2.64 3kt6A1 GLN 187 HG3 0.10 -0.04 0.06 -0.04 2.39 2.47 3kt6A1 GLN 187 HE21 0.09 -0.00 -0.04 -0.04 6.97 6.98 3kt6A1 GLN 187 HE22 0.09 -0.01 -0.00 -0.04 7.69 7.73 3kt6A1 TYR 188 H 0.39 0.32 -0.13 -0.55 8.29 8.32 3kt6A1 TYR 188 HA 0.15 0.19 0.73 -0.75 4.56 4.87 3kt6A1 TYR 188 HB2 0.24 -0.04 -0.01 -0.04 3.06 3.20 3kt6A1 TYR 188 HB3 0.22 -0.05 -0.04 -0.04 2.98 3.06 3kt6A1 TYR 188 HD2 -0.55 -0.01 -0.05 -0.04 7.15 6.50 3kt6A1 TYR 188 HE2 -0.64 0.03 -0.01 -0.04 6.85 6.19 3kt6A1 MET 189 H 0.29 0.35 -0.06 -0.55 8.47 8.50 3kt6A1 MET 189 HA 0.27 -0.07 0.37 -0.75 4.52 4.33 3kt6A1 MET 189 HB2 0.19 0.09 0.10 -0.04 2.15 2.49 3kt6A1 MET 189 HB3 0.05 0.04 0.07 -0.04 2.03 2.14 3kt6A1 MET 189 HG2 -0.03 -0.06 -0.04 -0.04 2.63 2.46 3kt6A1 MET 189 HG3 -0.17 -0.01 -0.14 -0.04 2.56 2.20 3kt6A1 MET 189 HE3 -0.00 -0.01 -0.06 -0.04 2.10 1.99 3kt6A1 GLY 190 H -0.01 0.04 0.23 -0.55 8.43 8.14 3kt6A1 GLY 190 HA2 -0.06 -0.03 0.36 -0.51 4.01 3.77 3kt6A1 GLY 190 HA3 -0.06 0.25 0.75 -0.51 4.01 4.44 3kt6A1 GLY 191 H -0.00 0.14 0.17 -0.55 8.43 8.19 3kt6A1 GLY 191 HA2 -0.00 0.08 0.37 -0.51 4.01 3.95 3kt6A1 GLY 191 HA3 -0.05 0.10 0.39 -0.51 4.01 3.94 3kt6A1 ALA 192 H -0.03 0.21 0.23 -0.55 8.40 8.25 3kt6A1 ALA 192 HA -0.00 0.01 0.45 -0.75 4.34 4.04 3kt6A1 ALA 192 HB3 -0.02 0.08 0.16 -0.04 1.41 1.59 3kt6A1 PHE 193 H -0.00 0.21 -0.10 -0.55 8.34 7.89 3kt6A1 PHE 193 HA -0.18 0.08 0.59 -0.75 4.62 4.35 3kt6A1 PHE 193 HB2 -0.41 0.25 0.19 -0.04 3.15 3.14 3kt6A1 PHE 193 HB3 -0.34 0.23 0.22 -0.04 3.06 3.12 3kt6A1 PHE 193 HD2 -0.19 0.10 -0.13 -0.04 7.28 7.03 3kt6A1 PHE 193 HE2 0.16 0.00 -0.12 -0.04 7.38 7.38 3kt6A1 PHE 193 HZ 0.28 -0.09 -0.09 -0.04 7.32 7.38 3kt6A1 TYR 194 H 0.04 0.47 -0.25 -0.55 8.29 7.99 3kt6A1 TYR 194 HA -0.33 0.03 0.42 -0.75 4.56 3.93 3kt6A1 TYR 194 HB2 -0.14 -0.13 0.07 -0.04 3.06 2.82 3kt6A1 TYR 194 HB3 -0.09 0.11 -0.06 -0.04 2.98 2.90 3kt6A1 TYR 194 HD2 -0.09 0.00 -0.05 -0.04 7.15 6.97 3kt6A1 TYR 194 HE2 -0.02 0.01 -0.06 -0.04 6.85 6.74 3kt6A1 GLU 195 H -0.02 0.47 -0.21 -0.55 8.60 8.29 3kt6A1 GLU 195 HA -0.19 -0.00 0.41 -0.75 4.29 3.76 3kt6A1 GLU 195 HB2 -0.02 0.13 0.11 -0.04 2.09 2.28 3kt6A1 GLU 195 HB3 -0.03 0.02 -0.03 -0.04 1.99 1.91 3kt6A1 GLU 195 HG2 -0.03 -0.04 0.00 -0.04 2.34 2.24 3kt6A1 GLU 195 HG3 0.00 0.07 -0.02 -0.04 2.34 2.35 3kt6A1 THR 196 H -0.03 0.48 -0.32 -0.55 8.28 7.86 3kt6A1 THR 196 HA 0.07 0.02 0.39 -0.75 4.39 4.12 3kt6A1 THR 196 HB 0.09 0.09 0.08 -0.04 4.32 4.54 3kt6A1 THR 196 HG23 0.26 0.01 0.02 -0.04 1.22 1.47 3kt6A1 VAL 197 H -0.16 0.44 -0.19 -0.55 8.24 7.78 3kt6A1 VAL 197 HA -0.06 0.06 0.35 -0.75 4.13 3.72 3kt6A1 VAL 197 HB -0.19 0.12 0.15 -0.04 2.12 2.15 3kt6A1 VAL 197 HG13 0.05 -0.04 -0.18 -0.04 0.97 0.75 3kt6A1 VAL 197 HG23 -0.41 0.08 -0.03 -0.04 0.95 0.55 3kt6A1 VAL 198 H -0.33 0.63 -0.16 -0.55 8.24 7.83 3kt6A1 VAL 198 HA -0.10 -0.03 0.37 -0.75 4.13 3.61 3kt6A1 VAL 198 HB -0.26 0.17 0.17 -0.04 2.12 2.16 3kt6A1 VAL 198 HG13 -0.10 -0.02 -0.12 -0.04 0.97 0.69 3kt6A1 VAL 198 HG23 -0.73 0.02 -0.01 -0.04 0.95 0.19 3kt6A1 ARG 199 H -0.07 0.66 -0.03 -0.55 8.46 8.47 3kt6A1 ARG 199 HA -0.02 -0.02 0.38 -0.75 4.34 3.92 3kt6A1 ARG 199 HB2 0.05 0.08 0.18 -0.04 1.90 2.17 3kt6A1 ARG 199 HB3 0.01 0.01 -0.04 -0.04 1.80 1.74 3kt6A1 ARG 199 HG2 -0.03 -0.06 0.03 -0.04 1.67 1.57 3kt6A1 ARG 199 HG3 -0.02 0.09 0.02 -0.04 1.67 1.72 3kt6A1 ARG 199 HD2 0.11 -0.00 -0.04 -0.04 3.22 3.24 3kt6A1 ARG 199 HD3 -0.04 0.05 -0.01 -0.04 3.22 3.17 3kt6A1 VAL 200 H 0.05 0.70 -0.15 -0.55 8.24 8.29 3kt6A1 VAL 200 HA 0.10 0.03 0.38 -0.75 4.13 3.88 3kt6A1 VAL 200 HB 0.08 0.08 0.15 -0.04 2.12 2.39 3kt6A1 VAL 200 HG13 0.14 -0.03 -0.12 -0.04 0.97 0.93 3kt6A1 VAL 200 HG23 0.32 0.04 -0.05 -0.04 0.95 1.22 3kt6A1 SER 201 H 0.02 0.57 -0.18 -0.55 8.46 8.32 3kt6A1 SER 201 HA 0.04 -0.03 0.33 -0.75 4.49 4.07 3kt6A1 SER 201 HB2 0.17 -0.11 0.10 -0.04 3.95 4.07 3kt6A1 SER 201 HB3 0.07 0.04 0.12 -0.04 3.93 4.12 3kt6A1 ARG 202 H 0.03 0.42 -0.46 -0.55 8.46 7.89 3kt6A1 ARG 202 HA 0.04 0.02 0.59 -0.75 4.34 4.24 3kt6A1 ARG 202 HB2 0.01 0.03 0.07 -0.04 1.90 1.97 3kt6A1 ARG 202 HB3 0.01 0.13 0.03 -0.04 1.80 1.93 3kt6A1 ARG 202 HG2 0.01 -0.02 0.03 -0.04 1.67 1.64 3kt6A1 ARG 202 HG3 0.01 -0.06 0.08 -0.04 1.67 1.66 3kt6A1 ARG 202 HD2 -0.00 -0.07 -0.00 -0.04 3.22 3.11 3kt6A1 ARG 202 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 3kt6A1 GLN 203 H 0.05 0.50 -0.25 -0.55 8.47 8.22 3kt6A1 GLN 203 HA 0.03 0.10 0.59 -0.75 4.36 4.33 3kt6A1 GLN 203 HB2 0.07 0.09 0.09 -0.04 2.15 2.36 3kt6A1 GLN 203 HB3 0.05 -0.07 0.16 -0.04 2.02 2.11 3kt6A1 GLN 203 HG2 0.02 0.24 0.03 -0.04 2.40 2.65 3kt6A1 GLN 203 HG3 0.01 -0.01 -0.02 -0.04 2.39 2.33 3kt6A1 GLN 203 HE21 -0.01 -0.05 -0.11 -0.04 6.97 6.76 3kt6A1 GLN 203 HE22 -0.01 0.10 -0.08 -0.04 7.69 7.65 3kt6A1 ILE 204 H 0.07 0.32 -0.36 -0.55 8.25 7.73 3kt6A1 ILE 204 HA 0.09 0.12 0.95 -0.75 4.18 4.58 3kt6A1 ILE 204 HB 0.12 0.03 0.02 -0.04 1.89 2.02 3kt6A1 ILE 204 HG12 0.12 0.02 -0.16 -0.04 1.49 1.43 3kt6A1 ILE 204 HG13 0.10 0.04 -0.41 -0.04 1.21 0.90 3kt6A1 ILE 204 HG23 0.17 -0.01 -0.13 -0.04 0.93 0.93 3kt6A1 ILE 204 HD13 0.13 -0.02 -0.19 -0.04 0.88 0.76 3kt6A1 THR 205 H 0.09 0.10 0.11 -0.55 8.28 8.03 3kt6A1 THR 205 HA 0.08 0.26 0.61 -0.75 4.39 4.59 3kt6A1 THR 205 HB 0.06 -0.06 0.14 -0.04 4.32 4.42 3kt6A1 THR 205 HG23 0.05 0.07 -0.02 -0.04 1.22 1.27 3kt6A1 GLY 206 H 0.08 0.22 0.15 -0.55 8.43 8.34 3kt6A1 GLY 206 HA2 0.26 0.12 0.44 -0.51 4.01 4.32 3kt6A1 GLY 206 HA3 0.10 0.08 0.31 -0.51 4.01 3.98 3kt6A1 SER 207 H 0.09 0.09 -0.19 -0.55 8.46 7.91 3kt6A1 SER 207 HA 0.11 0.10 0.37 -0.75 4.49 4.31 3kt6A1 SER 207 HB2 0.06 -0.04 0.07 -0.04 3.95 4.00 3kt6A1 SER 207 HB3 0.05 0.08 -0.07 -0.04 3.93 3.95 3kt6A1 THR 208 H 0.10 0.07 -0.21 -0.55 8.28 7.68 3kt6A1 THR 208 HA 0.04 0.07 0.43 -0.75 4.39 4.17 3kt6A1 THR 208 HB 0.12 0.12 0.11 -0.04 4.32 4.62 3kt6A1 THR 208 HG23 0.04 0.03 -0.03 -0.04 1.22 1.21 3kt6A1 ALA 209 H 0.22 0.51 -0.19 -0.55 8.40 8.39 3kt6A1 ALA 209 HA 0.45 0.02 0.36 -0.75 4.34 4.42 3kt6A1 ALA 209 HB3 0.47 0.05 0.06 -0.04 1.41 1.95 3kt6A1 LYS 210 H 0.22 0.50 -0.19 -0.55 8.42 8.40 3kt6A1 LYS 210 HA 0.12 -0.06 0.45 -0.75 4.32 4.07 3kt6A1 LYS 210 HB2 0.13 0.03 0.09 -0.04 1.87 2.09 3kt6A1 LYS 210 HB3 0.12 0.04 -0.00 -0.04 1.79 1.91 3kt6A1 LYS 210 HG2 0.31 0.03 -0.20 -0.04 1.46 1.55 3kt6A1 LYS 210 HG3 0.38 0.17 -0.03 -0.04 1.46 1.94 3kt6A1 LYS 210 HD2 0.16 -0.06 -0.11 -0.04 1.69 1.64 3kt6A1 LYS 210 HD3 0.16 0.02 -0.04 -0.04 1.68 1.79 3kt6A1 LYS 210 HE2 0.41 -0.05 -0.26 -0.04 2.99 3.05 3kt6A1 LYS 210 HE3 0.26 -0.03 -0.16 -0.04 2.99 3.02 3kt6A1 ALA 211 H 0.05 0.51 -0.12 -0.55 8.40 8.29 3kt6A1 ALA 211 HA -0.01 0.04 0.48 -0.75 4.34 4.09 3kt6A1 ALA 211 HB3 -0.02 -0.01 0.10 -0.04 1.41 1.45 3kt6A1 VAL 212 H -0.13 0.61 -0.01 -0.55 8.24 8.16 3kt6A1 VAL 212 HA -0.30 0.10 0.49 -0.75 4.13 3.67 3kt6A1 VAL 212 HB -0.65 0.03 0.09 -0.04 2.12 1.55 3kt6A1 VAL 212 HG13 -0.99 0.00 -0.11 -0.04 0.97 -0.17 3kt6A1 VAL 212 HG23 -0.21 0.00 0.03 -0.04 0.95 0.73 3kt6A1 PHE 213 H -0.17 0.48 -0.02 -0.55 8.34 8.08 3kt6A1 PHE 213 HA -0.10 0.18 0.81 -0.75 4.62 4.75 3kt6A1 PHE 213 HB2 -1.05 0.11 0.09 -0.04 3.15 2.26 3kt6A1 PHE 213 HB3 -0.66 -0.07 0.11 -0.04 3.06 2.40 3kt6A1 PHE 213 HD2 -0.14 0.04 0.03 -0.04 7.28 7.17 3kt6A1 PHE 213 HE2 -0.80 -0.03 -0.09 -0.04 7.38 6.41 3kt6A1 PHE 213 HZ -0.35 0.01 -0.07 -0.04 7.32 6.87 3kt6A1 GLY 214 H -0.10 0.28 -0.27 -0.55 8.43 7.80 3kt6A1 GLY 214 HA2 -0.03 0.17 0.32 -0.51 4.01 3.96 3kt6A1 GLY 214 HA3 -0.04 -0.01 0.34 -0.51 4.01 3.79 3kt6A1 PHE 215 H -0.29 0.07 -0.31 -0.55 8.34 7.26 3kt6A1 PHE 215 HA -0.15 0.01 0.33 -0.75 4.62 4.06 3kt6A1 PHE 215 HB2 -0.33 -0.03 -0.17 -0.04 3.15 2.57 3kt6A1 PHE 215 HB3 -0.71 0.03 -0.03 -0.04 3.06 2.31 3kt6A1 PHE 215 HD2 -0.24 -0.03 -0.13 -0.04 7.28 6.83 3kt6A1 PHE 215 HE2 -0.17 0.01 -0.07 -0.04 7.38 7.11 3kt6A1 PHE 215 HZ 0.24 -0.03 -0.06 -0.04 7.32 7.43 3kt6A1 ASN 216 H 0.09 0.07 0.18 -0.55 8.53 8.32 3kt6A1 ASN 216 HA 0.18 0.23 0.56 -0.75 4.76 4.98 3kt6A1 ASN 216 HB2 0.08 -0.14 0.21 -0.04 2.88 3.00 3kt6A1 ASN 216 HB3 0.07 0.20 0.04 -0.04 2.79 3.06 3kt6A1 ASN 216 HD21 0.02 0.00 -0.01 -0.04 7.03 7.00 3kt6A1 ASN 216 HD22 0.04 0.10 -0.01 -0.04 7.74 7.82 3kt6A1 ASP 217 H 0.12 0.18 0.13 -0.55 8.40 8.29 3kt6A1 ASP 217 HA 0.21 0.15 0.29 -0.75 4.63 4.53 3kt6A1 ASP 217 HB2 0.06 -0.02 0.10 -0.04 2.71 2.82 3kt6A1 ASP 217 HB3 0.03 0.04 0.07 -0.04 2.70 2.81 3kt6A1 SER 218 H 0.07 -0.00 -0.27 -0.55 8.46 7.70 3kt6A1 SER 218 HA 0.02 0.12 0.51 -0.75 4.49 4.39 3kt6A1 SER 218 HB2 -0.01 0.02 0.07 -0.04 3.95 3.99 3kt6A1 SER 218 HB3 0.01 -0.02 0.06 -0.04 3.93 3.93 3kt6A1 ASP 219 H 0.07 0.25 -0.29 -0.55 8.40 7.88 3kt6A1 ASP 219 HA -0.11 0.04 0.56 -0.75 4.63 4.37 3kt6A1 ASP 219 HB2 -0.25 0.17 0.09 -0.04 2.71 2.67 3kt6A1 ASP 219 HB3 -0.47 -0.03 0.04 -0.04 2.70 2.20 3kt6A1 CYS 220 H -0.15 0.10 0.18 -0.55 8.50 8.08 3kt6A1 CYS 220 HA 0.00 0.19 0.47 -0.75 4.58 4.50 3kt6A1 CYS 220 HB2 -0.04 -0.04 0.16 -0.04 2.97 3.02 3kt6A1 CYS 220 HB3 -0.08 0.14 0.16 -0.04 2.97 3.15 3kt6A1 ILE 221 H 0.01 0.20 0.18 -0.55 8.25 8.09 3kt6A1 ILE 221 HA 0.15 0.13 0.36 -0.75 4.18 4.06 3kt6A1 ILE 221 HB 0.00 0.04 0.07 -0.04 1.89 1.96 3kt6A1 ILE 221 HG12 -0.01 -0.02 0.12 -0.04 1.49 1.54 3kt6A1 ILE 221 HG13 0.01 -0.02 -0.06 -0.04 1.21 1.09 3kt6A1 ILE 221 HG23 -0.10 0.03 0.05 -0.04 0.93 0.87 3kt6A1 ILE 221 HD13 -0.02 0.02 -0.01 -0.04 0.88 0.83 3kt6A1 GLY 222 H 0.02 0.06 -0.25 -0.55 8.43 7.71 3kt6A1 GLY 222 HA2 0.12 0.11 0.45 -0.51 4.01 4.17 3kt6A1 GLY 222 HA3 0.05 0.07 0.21 -0.51 4.01 3.84 3kt6A1 LYS 223 H -0.17 0.18 -0.25 -0.55 8.42 7.63 3kt6A1 LYS 223 HA -0.25 0.05 0.41 -0.75 4.32 3.78 3kt6A1 LYS 223 HB2 -0.63 0.17 0.08 -0.04 1.87 1.45 3kt6A1 LYS 223 HB3 -1.23 0.03 -0.09 -0.04 1.79 0.46 3kt6A1 LYS 223 HG2 -1.56 0.01 -0.08 -0.04 1.46 -0.22 3kt6A1 LYS 223 HG3 -0.60 -0.03 -0.00 -0.04 1.46 0.78 3kt6A1 LYS 223 HD2 -0.56 -0.09 0.04 -0.04 1.69 1.03 3kt6A1 LYS 223 HD3 -0.79 0.03 -0.02 -0.04 1.68 0.86 3kt6A1 LYS 223 HE2 -0.88 0.03 -0.01 -0.04 2.99 2.09 3kt6A1 LYS 223 HE3 -0.43 0.02 0.06 -0.04 2.99 2.60 3kt6A1 PHE 224 H -0.04 0.34 -0.18 -0.55 8.34 7.90 3kt6A1 PHE 224 HA -0.13 0.03 0.32 -0.75 4.62 4.09 3kt6A1 PHE 224 HB2 -0.04 0.04 0.09 -0.04 3.15 3.19 3kt6A1 PHE 224 HB3 0.05 0.02 -0.09 -0.04 3.06 2.99 3kt6A1 PHE 224 HD2 -0.02 0.07 -0.18 -0.04 7.28 7.11 3kt6A1 PHE 224 HE2 0.03 0.14 -0.13 -0.04 7.38 7.38 3kt6A1 PHE 224 HZ 0.05 -0.05 -0.41 -0.04 7.32 6.87 3kt6A1 HIS 225 H 0.27 0.32 -0.42 -0.55 8.41 8.04 3kt6A1 HIS 225 HA 0.15 0.11 0.35 -0.75 4.63 4.49 3kt6A1 HIS 225 HB2 0.10 0.03 0.07 -0.04 3.26 3.43 3kt6A1 HIS 225 HB3 0.13 0.04 0.10 -0.04 3.20 3.43 3kt6A1 HIS 225 HD2 0.07 0.06 0.01 -0.04 6.97 7.07 3kt6A1 HIS 225 HE1 0.10 -0.03 -0.09 -0.04 7.75 7.68 3kt6A1 PHE 226 H 0.29 0.36 -0.34 -0.55 8.34 8.10 3kt6A1 PHE 226 HA 0.11 -0.03 0.04 -0.75 4.62 3.99 3kt6A1 PHE 226 HB2 0.22 0.09 0.07 -0.04 3.15 3.50 3kt6A1 PHE 226 HB3 0.28 0.12 0.08 -0.04 3.06 3.50 3kt6A1 PHE 226 HD2 0.27 0.07 -0.13 -0.04 7.28 7.45 3kt6A1 PHE 226 HE2 0.08 -0.01 -0.07 -0.04 7.38 7.34 3kt6A1 PHE 226 HZ 0.10 0.00 -0.06 -0.04 7.32 7.32 3kt6A1 ALA 227 H 0.11 0.28 -0.21 -0.55 8.40 8.04 3kt6A1 ALA 227 HA 0.11 -0.04 0.35 -0.75 4.34 4.01 3kt6A1 ALA 227 HB3 0.06 0.05 0.00 -0.04 1.41 1.48 3kt6A1 SER 228 H -0.18 0.51 -0.33 -0.55 8.46 7.92 3kt6A1 SER 228 HA -0.03 0.05 0.29 -0.75 4.49 4.04 3kt6A1 SER 228 HB2 -0.55 -0.07 0.07 -0.04 3.95 3.36 3kt6A1 SER 228 HB3 -0.17 0.08 0.04 -0.04 3.93 3.84 3kt6A1 ILE 229 H -0.36 0.41 -0.13 -0.55 8.25 7.62 3kt6A1 ILE 229 HA -0.06 0.05 0.29 -0.75 4.18 3.70 3kt6A1 ILE 229 HB -0.54 0.05 0.10 -0.04 1.89 1.46 3kt6A1 ILE 229 HG12 0.00 -0.00 -0.03 -0.04 1.49 1.42 3kt6A1 ILE 229 HG13 -0.10 0.02 0.00 -0.04 1.21 1.10 3kt6A1 ILE 229 HG23 0.27 -0.02 -0.13 -0.04 0.93 1.01 3kt6A1 ILE 229 HD13 0.31 -0.03 -0.05 -0.04 0.88 1.08 3kt6A1 GLN 230 H -0.57 0.26 -0.09 -0.55 8.47 7.53 3kt6A1 GLN 230 HA 0.09 0.00 0.32 -0.75 4.36 4.02 3kt6A1 GLN 230 HB2 -0.29 -0.10 0.02 -0.04 2.15 1.75 3kt6A1 GLN 230 HB3 -0.21 0.07 0.04 -0.04 2.02 1.88 3kt6A1 GLN 230 HG2 -0.28 0.07 -0.21 -0.04 2.40 1.94 3kt6A1 GLN 230 HG3 0.14 -0.00 -0.04 -0.04 2.39 2.45 3kt6A1 GLN 230 HE21 -0.58 -0.03 -0.04 -0.04 6.97 6.28 3kt6A1 GLN 230 HE22 -0.45 0.08 -0.08 -0.04 7.69 7.20 3kt6A1 ILE 231 H -0.00 0.61 -0.22 -0.55 8.25 8.09 3kt6A1 ILE 231 HA 0.12 0.02 0.39 -0.75 4.18 3.96 3kt6A1 ILE 231 HB 0.10 0.13 0.08 -0.04 1.89 2.16 3kt6A1 ILE 231 HG12 0.15 -0.04 -0.02 -0.04 1.49 1.54 3kt6A1 ILE 231 HG13 0.11 -0.12 -0.02 -0.04 1.21 1.13 3kt6A1 ILE 231 HG23 0.22 -0.01 -0.15 -0.04 0.93 0.95 3kt6A1 ILE 231 HD13 0.18 -0.01 -0.17 -0.04 0.88 0.84 3kt6A1 ALA 232 H 0.07 0.62 -0.08 -0.55 8.40 8.46 3kt6A1 ALA 232 HA 0.27 0.03 0.31 -0.75 4.34 4.20 3kt6A1 ALA 232 HB3 0.12 -0.00 -0.05 -0.04 1.41 1.44 3kt6A1 THR 233 H 0.13 0.36 -0.41 -0.55 8.28 7.81 3kt6A1 THR 233 HA 0.09 0.04 0.32 -0.75 4.39 4.08 3kt6A1 THR 233 HB 0.21 -0.03 0.00 -0.04 4.32 4.46 3kt6A1 THR 233 HG23 0.40 0.06 -0.04 -0.04 1.22 1.59 3kt6A1 ALA 234 H -0.21 0.40 -0.51 -0.55 8.40 7.53 3kt6A1 ALA 234 HA -0.18 0.06 0.51 -0.75 4.34 3.98 3kt6A1 ALA 234 HB3 -0.19 0.01 0.05 -0.04 1.41 1.24 3kt6A1 PHE 235 H -0.07 0.39 -0.32 -0.55 8.34 7.79 3kt6A1 PHE 235 HA 0.08 0.33 0.90 -0.75 4.62 5.18 3kt6A1 PHE 235 HB2 -0.16 -0.04 0.13 -0.04 3.15 3.03 3kt6A1 PHE 235 HB3 -0.61 -0.00 0.06 -0.04 3.06 2.47 3kt6A1 PHE 235 HD2 0.08 0.06 -0.05 -0.04 7.28 7.32 3kt6A1 PHE 235 HE2 0.17 0.01 -0.18 -0.04 7.38 7.34 3kt6A1 PHE 235 HZ 0.18 0.04 -0.12 -0.04 7.32 7.39 3kt6A1 PRO 236 HA -0.09 0.04 0.22 -0.51 4.44 4.10 3kt6A1 PRO 236 HB2 -0.04 0.05 -0.11 -0.04 2.28 2.14 3kt6A1 PRO 236 HB3 -0.18 0.03 -0.02 -0.04 2.02 1.81 3kt6A1 PRO 236 HG2 0.02 -0.06 -0.01 -0.04 2.03 1.94 3kt6A1 PRO 236 HG3 0.17 0.18 0.00 -0.04 2.03 2.34 3kt6A1 PRO 236 HD2 0.15 0.10 0.26 -0.04 3.68 4.15 3kt6A1 PRO 236 HD3 0.49 0.29 0.15 -0.04 3.65 4.53 3kt6A1 SER 237 H -0.12 0.17 -0.48 -0.55 8.46 7.49 3kt6A1 SER 237 HA -0.03 0.06 0.40 -0.75 4.49 4.17 3kt6A1 SER 237 HB2 0.01 -0.05 0.06 -0.04 3.95 3.93 3kt6A1 SER 237 HB3 -0.14 0.04 0.07 -0.04 3.93 3.86 3kt6A1 SER 238 H -0.05 0.58 -0.23 -0.55 8.46 8.21 3kt6A1 SER 238 HA -0.08 0.01 0.17 -0.75 4.49 3.83 3kt6A1 SER 238 HB2 -0.63 0.17 -0.02 -0.04 3.95 3.43 3kt6A1 SER 238 HB3 -0.34 -0.16 0.04 -0.04 3.93 3.43 3kt6A1 PHE 239 H -0.04 0.48 -0.62 -0.55 8.34 7.60 3kt6A1 PHE 239 HA -0.05 0.16 0.87 -0.75 4.62 4.85 3kt6A1 PHE 239 HB2 -0.28 0.10 0.14 -0.04 3.15 3.07 3kt6A1 PHE 239 HB3 -0.26 -0.16 0.13 -0.04 3.06 2.74 3kt6A1 PHE 239 HD2 -0.30 0.00 -0.12 -0.04 7.28 6.82 3kt6A1 PHE 239 HE2 -0.59 0.17 -0.08 -0.04 7.38 6.84 3kt6A1 PHE 239 HZ -0.23 -0.07 -0.09 -0.04 7.32 6.88 3kt6A1 PRO 240 HA -0.00 0.12 0.39 -0.51 4.44 4.44 3kt6A1 PRO 240 HB2 -0.01 0.04 -0.02 -0.04 2.28 2.25 3kt6A1 PRO 240 HB3 -0.01 0.08 0.10 -0.04 2.02 2.15 3kt6A1 PRO 240 HG2 -0.02 -0.02 0.08 -0.04 2.03 2.03 3kt6A1 PRO 240 HG3 -0.02 -0.03 0.08 -0.04 2.03 2.02 3kt6A1 PRO 240 HD2 -0.03 0.14 0.01 -0.04 3.68 3.76 3kt6A1 PRO 240 HD3 -0.05 0.32 -0.25 -0.04 3.65 3.64 3kt6A1 ASN 241 H -0.01 0.10 -0.14 -0.55 8.53 7.94 3kt6A1 ASN 241 HA -0.02 0.24 0.68 -0.75 4.76 4.91 3kt6A1 ASN 241 HB2 -0.04 0.03 -0.10 -0.04 2.88 2.73 3kt6A1 ASN 241 HB3 -0.02 0.04 0.04 -0.04 2.79 2.80 3kt6A1 ASN 241 HD21 -0.01 -0.05 -0.01 -0.04 7.03 6.92 3kt6A1 ASN 241 HD22 -0.01 0.05 -0.03 -0.04 7.74 7.72 3kt6A1 VAL 242 H -0.06 -0.03 -0.49 -0.55 8.24 7.12 3kt6A1 VAL 242 HA -0.28 0.39 0.76 -0.75 4.13 4.25 3kt6A1 VAL 242 HB -0.14 -0.12 0.07 -0.04 2.12 1.88 3kt6A1 VAL 242 HG13 -0.59 0.05 -0.12 -0.04 0.97 0.28 3kt6A1 VAL 242 HG23 -0.78 -0.04 -0.09 -0.04 0.95 -0.00 3kt6A1 LEU 243 H -0.08 0.32 0.12 -0.55 8.37 8.18 3kt6A1 LEU 243 HA -0.09 0.20 0.78 -0.75 4.35 4.48 3kt6A1 LEU 243 HB2 -0.19 0.01 0.18 -0.04 1.64 1.60 3kt6A1 LEU 243 HB3 -0.30 0.03 -0.06 -0.04 1.64 1.26 3kt6A1 LEU 243 HG -0.51 -0.10 -0.06 -0.04 1.64 0.93 3kt6A1 LEU 243 HD13 -1.19 0.01 -0.09 -0.04 0.93 -0.38 3kt6A1 LEU 243 HD23 -0.54 0.03 -0.16 -0.04 0.89 0.17 3kt6A1 GLY 244 H -0.02 0.27 0.15 -0.55 8.43 8.29 3kt6A1 GLY 244 HA2 0.02 0.01 0.36 -0.51 4.01 3.88 3kt6A1 GLY 244 HA3 0.04 0.07 0.48 -0.51 4.01 4.10 3kt6A1 LEU 245 H -0.00 0.10 -0.05 -0.55 8.37 7.87 3kt6A1 LEU 245 HA 0.10 0.25 0.86 -0.75 4.35 4.81 3kt6A1 LEU 245 HB2 -0.04 -0.07 -0.06 -0.04 1.64 1.44 3kt6A1 LEU 245 HB3 0.08 0.06 -0.05 -0.04 1.64 1.68 3kt6A1 LEU 245 HG 0.05 -0.01 -0.47 -0.04 1.64 1.17 3kt6A1 LEU 245 HD13 -0.22 0.00 -0.18 -0.04 0.93 0.50 3kt6A1 LEU 245 HD23 0.35 0.03 -0.07 -0.04 0.89 1.16 3kt6A1 PRO 246 HA 0.05 -0.02 0.43 -0.51 4.44 4.40 3kt6A1 PRO 246 HB2 0.08 -0.01 0.01 -0.04 2.28 2.32 3kt6A1 PRO 246 HB3 0.06 0.00 0.08 -0.04 2.02 2.13 3kt6A1 PRO 246 HG2 0.07 0.09 0.08 -0.04 2.03 2.23 3kt6A1 PRO 246 HG3 0.05 0.03 0.09 -0.04 2.03 2.16 3kt6A1 PRO 246 HD2 0.10 0.16 0.21 -0.04 3.68 4.10 3kt6A1 PRO 246 HD3 0.07 0.21 0.16 -0.04 3.65 4.04 3kt6A1 ASP 247 H 0.07 0.10 0.16 -0.55 8.40 8.19 3kt6A1 ASP 247 HA 0.02 0.05 0.32 -0.75 4.63 4.27 3kt6A1 ASP 247 HB2 0.15 -0.03 0.12 -0.04 2.71 2.91 3kt6A1 ASP 247 HB3 0.38 0.09 0.03 -0.04 2.70 3.16 3kt6A1 LYS 248 H 0.10 -0.04 -0.53 -0.55 8.42 7.40 3kt6A1 LYS 248 HA 0.17 0.09 0.64 -0.75 4.32 4.47 3kt6A1 LYS 248 HB2 0.08 -0.04 -0.02 -0.04 1.87 1.85 3kt6A1 LYS 248 HB3 0.09 0.00 0.07 -0.04 1.79 1.90 3kt6A1 LYS 248 HG2 0.12 0.27 -0.03 -0.04 1.46 1.78 3kt6A1 LYS 248 HG3 0.09 -0.13 -0.03 -0.04 1.46 1.35 3kt6A1 LYS 248 HD2 0.05 -0.07 -0.02 -0.04 1.69 1.61 3kt6A1 LYS 248 HD3 0.05 0.00 -0.06 -0.04 1.68 1.63 3kt6A1 LYS 248 HE2 0.02 0.31 0.06 -0.04 2.99 3.34 3kt6A1 LYS 248 HE3 0.03 -0.10 0.01 -0.04 2.99 2.89 3kt6A1 THR 249 H 0.12 0.56 -0.26 -0.55 8.28 8.15 3kt6A1 THR 249 HA 0.13 0.10 0.58 -0.75 4.39 4.45 3kt6A1 THR 249 HB 0.19 -0.05 -0.02 -0.04 4.32 4.40 3kt6A1 THR 249 HG23 0.19 0.08 -0.14 -0.04 1.22 1.31 3kt6A1 PRO 250 HA 0.11 0.21 0.69 -0.51 4.44 4.93 3kt6A1 PRO 250 HB2 -0.03 0.02 0.05 -0.04 2.28 2.28 3kt6A1 PRO 250 HB3 0.05 0.03 -0.03 -0.04 2.02 2.03 3kt6A1 PRO 250 HG2 -0.02 -0.02 -0.00 -0.04 2.03 1.95 3kt6A1 PRO 250 HG3 0.01 -0.02 0.05 -0.04 2.03 2.02 3kt6A1 PRO 250 HD2 0.12 0.18 0.29 -0.04 3.68 4.23 3kt6A1 PRO 250 HD3 0.09 0.19 0.31 -0.04 3.65 4.20 3kt6A1 CYS 251 H -0.17 0.17 0.21 -0.55 8.50 8.16 3kt6A1 CYS 251 HA -0.52 0.19 0.94 -0.75 4.58 4.43 3kt6A1 CYS 251 HB2 -0.98 0.03 -0.10 -0.04 2.97 1.87 3kt6A1 CYS 251 HB3 -2.44 0.04 -0.11 -0.04 2.97 0.41 3kt6A1 LEU 252 H -0.19 0.69 0.38 -0.55 8.37 8.71 3kt6A1 LEU 252 HA -0.13 0.13 0.91 -0.75 4.35 4.50 3kt6A1 LEU 252 HB2 -0.12 -0.01 -0.02 -0.04 1.64 1.46 3kt6A1 LEU 252 HB3 0.00 0.06 0.12 -0.04 1.64 1.77 3kt6A1 LEU 252 HG -0.02 -0.02 -0.34 -0.04 1.64 1.21 3kt6A1 LEU 252 HD13 0.04 -0.01 -0.32 -0.04 0.93 0.60 3kt6A1 LEU 252 HD23 0.17 -0.01 -0.12 -0.04 0.89 0.89 3kt6A1 ILE 253 H -0.18 0.79 0.22 -0.55 8.25 8.53 3kt6A1 ILE 253 HA -0.26 0.47 1.11 -0.75 4.18 4.74 3kt6A1 ILE 253 HB -0.49 -0.06 0.17 -0.04 1.89 1.47 3kt6A1 ILE 253 HG12 -0.29 0.10 -0.09 -0.04 1.49 1.17 3kt6A1 ILE 253 HG13 -0.25 -0.05 -0.33 -0.04 1.21 0.54 3kt6A1 ILE 253 HG23 -0.79 -0.01 -0.16 -0.04 0.93 -0.07 3kt6A1 ILE 253 HD13 -0.70 -0.02 -0.09 -0.04 0.88 0.03 3kt6A1 PRO 254 HA 0.07 0.18 0.88 -0.51 4.44 5.06 3kt6A1 PRO 254 HB2 0.17 -0.03 0.03 -0.04 2.28 2.40 3kt6A1 PRO 254 HB3 0.04 -0.02 0.04 -0.04 2.02 2.05 3kt6A1 PRO 254 HG2 -0.09 -0.01 0.11 -0.04 2.03 2.00 3kt6A1 PRO 254 HG3 -0.08 0.02 0.02 -0.04 2.03 1.95 3kt6A1 PRO 254 HD2 -0.17 0.34 0.26 -0.04 3.68 4.07 3kt6A1 PRO 254 HD3 -0.10 0.16 -0.12 -0.04 3.65 3.56 3kt6A1 CYS 255 H 0.15 0.67 0.37 -0.55 8.50 9.15 3kt6A1 CYS 255 HA 0.01 0.06 0.70 -0.75 4.58 4.59 3kt6A1 CYS 255 HB2 0.09 -0.07 0.07 -0.04 2.97 3.01 3kt6A1 CYS 255 HB3 -0.05 0.12 -0.26 -0.04 2.97 2.74 3kt6A1 ALA 256 H 0.01 0.14 0.17 -0.55 8.40 8.18 3kt6A1 ALA 256 HA -0.14 0.13 0.71 -0.75 4.34 4.28 3kt6A1 ALA 256 HB3 0.01 0.01 0.10 -0.04 1.41 1.50 3kt6A1 ILE 257 H -0.17 0.55 0.24 -0.55 8.25 8.32 3kt6A1 ILE 257 HA -0.05 0.08 0.27 -0.75 4.18 3.74 3kt6A1 ILE 257 HB 0.10 0.04 0.03 -0.04 1.89 2.02 3kt6A1 ILE 257 HG12 -0.11 -0.01 -0.10 -0.04 1.49 1.22 3kt6A1 ILE 257 HG13 -0.08 0.01 -0.12 -0.04 1.21 0.98 3kt6A1 ILE 257 HG23 -0.41 0.02 -0.02 -0.04 0.93 0.48 3kt6A1 ILE 257 HD13 -0.42 0.01 -0.06 -0.04 0.88 0.36 3kt6A1 ASP 258 H 0.07 0.04 -0.43 -0.55 8.40 7.53 3kt6A1 ASP 258 HA 0.26 0.13 0.24 -0.75 4.63 4.49 3kt6A1 ASP 258 HB2 0.13 0.25 -0.14 -0.04 2.71 2.92 3kt6A1 ASP 258 HB3 0.51 -0.05 -0.04 -0.04 2.70 3.08 3kt6A1 GLN 259 H 0.13 0.56 -0.47 -0.55 8.47 8.15 3kt6A1 GLN 259 HA 0.14 0.11 0.69 -0.75 4.36 4.55 3kt6A1 GLN 259 HB2 0.19 0.17 0.01 -0.04 2.15 2.48 3kt6A1 GLN 259 HB3 0.26 -0.01 0.09 -0.04 2.02 2.31 3kt6A1 GLN 259 HG2 0.06 -0.08 -0.08 -0.04 2.40 2.26 3kt6A1 GLN 259 HG3 0.06 -0.01 0.03 -0.04 2.39 2.42 3kt6A1 GLN 259 HE21 -0.10 0.01 -0.01 -0.04 6.97 6.82 3kt6A1 GLN 259 HE22 -0.03 -0.03 -0.13 -0.04 7.69 7.46 3kt6A1 ASP 260 H 0.15 0.43 -0.35 -0.55 8.40 8.08 3kt6A1 ASP 260 HA 0.30 0.04 0.35 -0.75 4.63 4.56 3kt6A1 ASP 260 HB2 -0.07 -0.01 0.05 -0.04 2.71 2.64 3kt6A1 ASP 260 HB3 -0.04 0.10 0.06 -0.04 2.70 2.79 3kt6A1 PRO 261 HA -0.34 0.07 0.36 -0.51 4.44 4.02 3kt6A1 PRO 261 HB2 -0.39 -0.04 -0.00 -0.04 2.28 1.80 3kt6A1 PRO 261 HB3 -0.52 0.16 0.06 -0.04 2.02 1.67 3kt6A1 PRO 261 HG2 -0.19 0.04 0.09 -0.04 2.03 1.93 3kt6A1 PRO 261 HG3 -0.38 0.09 0.09 -0.04 2.03 1.80 3kt6A1 PRO 261 HD2 -0.03 0.19 -0.30 -0.04 3.68 3.49 3kt6A1 PRO 261 HD3 -0.15 0.13 0.02 -0.04 3.65 3.61 3kt6A1 TYR 262 H -0.00 0.20 -0.36 -0.55 8.29 7.58 3kt6A1 TYR 262 HA 0.14 0.02 0.41 -0.75 4.56 4.37 3kt6A1 TYR 262 HB2 -0.78 0.22 0.04 -0.04 3.06 2.51 3kt6A1 TYR 262 HB3 -0.65 -0.00 -0.08 -0.04 2.98 2.21 3kt6A1 TYR 262 HD2 -0.07 0.04 0.02 -0.04 7.15 7.10 3kt6A1 TYR 262 HE2 -0.08 -0.03 -0.04 -0.04 6.85 6.66 3kt6A1 PHE 263 H 0.04 0.48 -0.22 -0.55 8.34 8.08 3kt6A1 PHE 263 HA 0.13 0.03 0.41 -0.75 4.62 4.43 3kt6A1 PHE 263 HB2 0.11 0.05 0.04 -0.04 3.15 3.31 3kt6A1 PHE 263 HB3 0.08 0.03 0.05 -0.04 3.06 3.18 3kt6A1 PHE 263 HD2 0.10 0.03 -0.10 -0.04 7.28 7.27 3kt6A1 PHE 263 HE2 0.12 0.02 -0.12 -0.04 7.38 7.35 3kt6A1 PHE 263 HZ -0.07 -0.04 -0.13 -0.04 7.32 7.04 3kt6A1 ARG 264 H 0.04 0.44 -0.07 -0.55 8.46 8.31 3kt6A1 ARG 264 HA 0.08 0.13 0.83 -0.75 4.34 4.62 3kt6A1 ARG 264 HB2 -0.02 0.00 0.08 -0.04 1.90 1.92 3kt6A1 ARG 264 HB3 -0.02 0.03 0.05 -0.04 1.80 1.82 3kt6A1 ARG 264 HG2 -0.17 0.02 0.04 -0.04 1.67 1.52 3kt6A1 ARG 264 HG3 -0.12 -0.00 -0.06 -0.04 1.67 1.44 3kt6A1 ARG 264 HD2 -0.12 -0.03 -0.02 -0.04 3.22 3.01 3kt6A1 ARG 264 HD3 -0.19 0.07 -0.01 -0.04 3.22 3.06 3kt6A1 VAL 265 H -0.00 0.35 -0.18 -0.55 8.24 7.87 3kt6A1 VAL 265 HA 0.04 0.05 0.56 -0.75 4.13 4.03 3kt6A1 VAL 265 HB 0.07 0.24 0.15 -0.04 2.12 2.53 3kt6A1 VAL 265 HG13 0.13 -0.02 -0.13 -0.04 0.97 0.91 3kt6A1 VAL 265 HG23 -0.11 0.01 0.02 -0.04 0.95 0.83 3kt6A1 CYS 266 H 0.16 0.32 -0.02 -0.55 8.50 8.41 3kt6A1 CYS 266 HA 0.24 0.04 0.38 -0.75 4.58 4.49 3kt6A1 CYS 266 HB2 0.26 0.02 0.06 -0.04 2.97 3.27 3kt6A1 CYS 266 HB3 0.34 0.05 0.15 -0.04 2.97 3.47 3kt6A1 ARG 267 H 0.18 0.39 -0.28 -0.55 8.46 8.20 3kt6A1 ARG 267 HA 0.20 0.05 0.43 -0.75 4.34 4.26 3kt6A1 ARG 267 HB2 0.11 0.08 0.15 -0.04 1.90 2.20 3kt6A1 ARG 267 HB3 0.10 -0.06 0.03 -0.04 1.80 1.83 3kt6A1 ARG 267 HG2 0.11 -0.04 0.08 -0.04 1.67 1.78 3kt6A1 ARG 267 HG3 0.15 0.05 0.13 -0.04 1.67 1.95 3kt6A1 ARG 267 HD2 0.08 0.07 0.01 -0.04 3.22 3.35 3kt6A1 ARG 267 HD3 0.11 0.03 0.06 -0.04 3.22 3.39 3kt6A1 ASP 268 H 0.11 0.33 -0.37 -0.55 8.40 7.93 3kt6A1 ASP 268 HA 0.07 0.01 0.51 -0.75 4.63 4.46 3kt6A1 ASP 268 HB2 0.05 0.07 0.16 -0.04 2.71 2.94 3kt6A1 ASP 268 HB3 0.07 0.15 0.15 -0.04 2.70 3.03 3kt6A1 VAL 269 H 0.16 0.44 -0.29 -0.55 8.24 8.00 3kt6A1 VAL 269 HA 0.08 0.03 0.51 -0.75 4.13 4.00 3kt6A1 VAL 269 HB 0.26 0.14 0.14 -0.04 2.12 2.62 3kt6A1 VAL 269 HG13 0.19 -0.02 -0.15 -0.04 0.97 0.95 3kt6A1 VAL 269 HG23 0.12 0.00 -0.05 -0.04 0.95 0.99 3kt6A1 ALA 270 H 0.22 0.38 -0.27 -0.55 8.40 8.19 3kt6A1 ALA 270 HA -0.04 -0.02 0.12 -0.75 4.34 3.65 3kt6A1 ALA 270 HB3 0.31 0.05 -0.26 -0.04 1.41 1.47 3kt6A1 ASP 271 H 0.06 0.26 -0.30 -0.55 8.40 7.88 3kt6A1 ASP 271 HA 0.01 0.11 0.45 -0.75 4.63 4.44 3kt6A1 ASP 271 HB2 0.02 0.06 0.11 -0.04 2.71 2.86 3kt6A1 ASP 271 HB3 0.01 -0.05 0.01 -0.04 2.70 2.63 3kt6A1 LYS 272 H -0.00 0.25 -0.14 -0.55 8.42 7.97 3kt6A1 LYS 272 HA -0.04 -0.01 0.35 -0.75 4.32 3.87 3kt6A1 LYS 272 HB2 -0.02 0.15 0.13 -0.04 1.87 2.09 3kt6A1 LYS 272 HB3 -0.03 -0.06 0.06 -0.04 1.79 1.72 3kt6A1 LYS 272 HG2 0.00 -0.08 0.07 -0.04 1.46 1.41 3kt6A1 LYS 272 HG3 0.01 0.08 0.15 -0.04 1.46 1.66 3kt6A1 LYS 272 HD2 0.03 0.04 0.09 -0.04 1.69 1.81 3kt6A1 LYS 272 HD3 0.01 -0.06 0.06 -0.04 1.68 1.65 3kt6A1 LYS 272 HE2 0.02 -0.09 0.04 -0.04 2.99 2.92 3kt6A1 LYS 272 HE3 0.03 0.18 0.03 -0.04 2.99 3.19 3kt6A1 LEU 273 H -0.14 0.41 -0.31 -0.55 8.37 7.78 3kt6A1 LEU 273 HA -0.26 0.07 0.51 -0.75 4.35 3.92 3kt6A1 LEU 273 HB2 -0.46 0.06 -0.04 -0.04 1.64 1.16 3kt6A1 LEU 273 HB3 -0.82 -0.06 0.05 -0.04 1.64 0.77 3kt6A1 LEU 273 HG -0.09 0.09 -0.08 -0.04 1.64 1.51 3kt6A1 LEU 273 HD13 -0.01 -0.02 -0.17 -0.04 0.93 0.68 3kt6A1 LEU 273 HD23 -0.10 0.02 -0.13 -0.04 0.89 0.63 3kt6A1 LYS 274 H -0.17 0.43 -0.52 -0.55 8.42 7.60 3kt6A1 LYS 274 HA -0.10 0.07 0.32 -0.75 4.32 3.86 3kt6A1 LYS 274 HB2 -0.21 0.10 0.14 -0.04 1.87 1.86 3kt6A1 LYS 274 HB3 -0.08 -0.10 0.18 -0.04 1.79 1.74 3kt6A1 LYS 274 HG2 -0.14 0.08 -0.34 -0.04 1.46 1.02 3kt6A1 LYS 274 HG3 -0.10 -0.10 -0.07 -0.04 1.46 1.15 3kt6A1 LYS 274 HD2 -0.05 -0.09 0.02 -0.04 1.69 1.53 3kt6A1 LYS 274 HD3 -0.06 0.18 0.05 -0.04 1.68 1.81 3kt6A1 LYS 274 HE2 -0.06 0.11 0.01 -0.04 2.99 3.01 3kt6A1 LYS 274 HE3 -0.05 -0.08 -0.01 -0.04 2.99 2.81 3kt6A1 TYR 275 H -0.20 0.37 -0.16 -0.55 8.29 7.75 3kt6A1 TYR 275 HA -0.04 0.15 0.72 -0.75 4.56 4.63 3kt6A1 TYR 275 HB2 -0.51 -0.06 -0.06 -0.04 3.06 2.39 3kt6A1 TYR 275 HB3 -0.10 0.05 0.10 -0.04 2.98 2.99 3kt6A1 TYR 275 HD2 -0.75 0.03 -0.12 -0.04 7.15 6.27 3kt6A1 TYR 275 HE2 -0.14 -0.09 -0.03 -0.04 6.85 6.55 3kt6A1 SER 276 H 0.23 0.24 0.03 -0.55 8.46 8.42 3kt6A1 SER 276 HA 0.12 0.05 0.72 -0.75 4.49 4.62 3kt6A1 SER 276 HB2 0.15 0.05 -0.26 -0.04 3.95 3.85 3kt6A1 SER 276 HB3 0.10 0.03 -0.10 -0.04 3.93 3.92 3kt6A1 LYS 277 H 0.11 0.07 0.10 -0.55 8.42 8.15 3kt6A1 LYS 277 HA 0.21 0.07 0.49 -0.75 4.32 4.34 3kt6A1 LYS 277 HB2 0.07 -0.08 0.11 -0.04 1.87 1.93 3kt6A1 LYS 277 HB3 0.09 0.07 0.03 -0.04 1.79 1.94 3kt6A1 LYS 277 HG2 0.12 0.11 0.16 -0.04 1.46 1.81 3kt6A1 LYS 277 HG3 0.10 -0.01 0.08 -0.04 1.46 1.58 3kt6A1 LYS 277 HD2 0.05 -0.05 0.04 -0.04 1.69 1.69 3kt6A1 LYS 277 HD3 0.06 -0.03 0.02 -0.04 1.68 1.69 3kt6A1 LYS 277 HE2 0.07 0.06 -0.05 -0.04 2.99 3.02 3kt6A1 LYS 277 HE3 0.06 0.00 0.03 -0.04 2.99 3.04 3kt6A1 PRO 278 HA -0.03 0.12 0.76 -0.51 4.44 4.78 3kt6A1 PRO 278 HB2 -0.12 0.06 -0.03 -0.04 2.28 2.14 3kt6A1 PRO 278 HB3 -0.07 0.07 0.13 -0.04 2.02 2.10 3kt6A1 PRO 278 HG2 0.05 -0.04 0.03 -0.04 2.03 2.03 3kt6A1 PRO 278 HG3 0.04 0.01 0.02 -0.04 2.03 2.05 3kt6A1 PRO 278 HD2 0.17 -0.06 0.15 -0.04 3.68 3.89 3kt6A1 PRO 278 HD3 0.22 0.25 0.13 -0.04 3.65 4.21 3kt6A1 ALA 279 H -0.10 0.64 0.40 -0.55 8.40 8.80 3kt6A1 ALA 279 HA -0.03 0.11 0.75 -0.75 4.34 4.42 3kt6A1 ALA 279 HB3 -0.05 -0.01 0.05 -0.04 1.41 1.37 3kt6A1 LEU 280 H -0.07 0.44 0.35 -0.55 8.37 8.55 3kt6A1 LEU 280 HA -0.21 0.32 1.02 -0.75 4.35 4.73 3kt6A1 LEU 280 HB2 -0.18 -0.15 0.05 -0.04 1.64 1.32 3kt6A1 LEU 280 HB3 -0.50 -0.01 -0.06 -0.04 1.64 1.04 3kt6A1 LEU 280 HG -0.09 0.08 -0.52 -0.04 1.64 1.07 3kt6A1 LEU 280 HD13 0.22 -0.02 -0.14 -0.04 0.93 0.96 3kt6A1 LEU 280 HD23 -0.23 0.02 -0.06 -0.04 0.89 0.58 3kt6A1 LEU 281 H -0.21 0.64 0.19 -0.55 8.37 8.44 3kt6A1 LEU 281 HA -0.26 0.19 0.76 -0.75 4.35 4.28 3kt6A1 LEU 281 HB2 -0.03 -0.01 0.03 -0.04 1.64 1.58 3kt6A1 LEU 281 HB3 0.00 -0.03 -0.03 -0.04 1.64 1.54 3kt6A1 LEU 281 HG -0.25 0.05 -0.28 -0.04 1.64 1.11 3kt6A1 LEU 281 HD13 -0.23 -0.00 -0.13 -0.04 0.93 0.53 3kt6A1 LEU 281 HD23 -0.55 0.00 -0.03 -0.04 0.89 0.28 3kt6A1 HIS 282 H -0.29 0.71 0.20 -0.55 8.41 8.49 3kt6A1 HIS 282 HA -0.07 0.44 0.81 -0.75 4.63 5.05 3kt6A1 HIS 282 HB2 -0.63 -0.13 0.05 -0.04 3.26 2.51 3kt6A1 HIS 282 HB3 -0.21 -0.04 -0.02 -0.04 3.20 2.89 3kt6A1 HIS 282 HD2 0.03 0.08 -0.29 -0.04 6.97 6.75 3kt6A1 HIS 282 HE1 0.02 0.05 -0.23 -0.04 7.75 7.54 3kt6A1 SER 283 H -0.29 0.40 0.40 -0.55 8.46 8.42 3kt6A1 SER 283 HA -0.67 0.24 1.22 -0.75 4.49 4.52 3kt6A1 SER 283 HB2 -0.87 0.10 0.06 -0.04 3.95 3.20 3kt6A1 SER 283 HB3 -2.89 -0.03 -0.05 -0.04 3.93 0.92 3kt6A1 ARG 284 H -0.36 0.79 0.37 -0.55 8.46 8.70 3kt6A1 ARG 284 HA -0.53 -0.01 0.56 -0.75 4.34 3.60 3kt6A1 ARG 284 HB2 -0.33 0.03 0.09 -0.04 1.90 1.64 3kt6A1 ARG 284 HB3 -0.57 -0.02 0.09 -0.04 1.80 1.26 3kt6A1 ARG 284 HG2 -2.39 -0.11 0.07 -0.04 1.67 -0.80 3kt6A1 ARG 284 HG3 -0.74 0.12 0.14 -0.04 1.67 1.14 3kt6A1 ARG 284 HD2 -0.48 -0.04 0.04 -0.04 3.22 2.70 3kt6A1 ARG 284 HD3 -0.68 -0.06 0.03 -0.04 3.22 2.46 3kt6A1 PHE 285 H 0.09 0.09 0.11 -0.55 8.34 8.08 3kt6A1 PHE 285 HA 0.02 0.04 0.59 -0.75 4.62 4.52 3kt6A1 PHE 285 HB2 0.08 0.00 0.00 -0.04 3.15 3.20 3kt6A1 PHE 285 HB3 0.02 0.03 -0.11 -0.04 3.06 2.96 3kt6A1 PHE 285 HD2 0.01 0.01 -0.02 -0.04 7.28 7.24 3kt6A1 PHE 285 HE2 -0.06 0.01 -0.06 -0.04 7.38 7.23 3kt6A1 PHE 285 HZ -0.01 0.05 -0.07 -0.04 7.32 7.25 3kt6A1 PHE 286 H 0.15 0.11 0.19 -0.55 8.34 8.24 3kt6A1 PHE 286 HA -0.47 0.17 0.60 -0.75 4.62 4.16 3kt6A1 PHE 286 HB2 -0.43 0.09 0.19 -0.04 3.15 2.95 3kt6A1 PHE 286 HB3 -0.22 -0.17 0.21 -0.04 3.06 2.83 3kt6A1 PHE 286 HD2 -1.07 -0.04 -0.06 -0.04 7.28 6.06 3kt6A1 PHE 286 HE2 -0.54 -0.03 -0.05 -0.04 7.38 6.72 3kt6A1 PHE 286 HZ -1.05 -0.02 -0.06 -0.04 7.32 6.15 3kt6A1 PRO 287 HA -0.05 0.29 0.37 -0.51 4.44 4.54 3kt6A1 PRO 287 HB2 -0.09 -0.01 -0.03 -0.04 2.28 2.11 3kt6A1 PRO 287 HB3 -0.05 0.09 0.10 -0.04 2.02 2.11 3kt6A1 PRO 287 HG2 -0.03 -0.03 0.03 -0.04 2.03 1.96 3kt6A1 PRO 287 HG3 0.01 0.09 0.09 -0.04 2.03 2.19 3kt6A1 PRO 287 HD2 -0.90 0.02 0.11 -0.04 3.68 2.87 3kt6A1 PRO 287 HD3 -0.36 0.17 0.29 -0.04 3.65 3.71 3kt6A1 ALA 288 H -0.06 0.44 0.09 -0.55 8.40 8.32 3kt6A1 ALA 288 HA -0.04 -0.01 0.54 -0.75 4.34 4.08 3kt6A1 ALA 288 HB3 -0.07 0.04 -0.08 -0.04 1.41 1.26 3kt6A1 LEU 289 H -0.01 0.34 0.19 -0.55 8.37 8.35 3kt6A1 LEU 289 HA -0.02 0.03 0.33 -0.75 4.35 3.94 3kt6A1 LEU 289 HB2 0.01 0.02 -0.14 -0.04 1.64 1.48 3kt6A1 LEU 289 HB3 0.01 0.10 -0.07 -0.04 1.64 1.63 3kt6A1 LEU 289 HG 0.09 0.03 -0.34 -0.04 1.64 1.38 3kt6A1 LEU 289 HD13 0.12 -0.03 -0.14 -0.04 0.93 0.83 3kt6A1 LEU 289 HD23 0.06 0.03 -0.35 -0.04 0.89 0.59 3kt6A1 GLN 290 H -0.03 0.02 -0.17 -0.55 8.47 7.74 3kt6A1 GLN 290 HA 0.06 0.26 0.43 -0.75 4.36 4.35 3kt6A1 GLN 290 HB2 -0.06 -0.01 -0.06 -0.04 2.15 1.99 3kt6A1 GLN 290 HB3 -0.02 0.02 0.11 -0.04 2.02 2.09 3kt6A1 GLN 290 HG2 -0.05 -0.10 0.10 -0.04 2.40 2.31 3kt6A1 GLN 290 HG3 -0.04 -0.03 0.02 -0.04 2.39 2.29 3kt6A1 GLN 290 HE21 -0.15 0.01 -0.07 -0.04 6.97 6.71 3kt6A1 GLN 290 HE22 -0.13 -0.19 -0.25 -0.04 7.69 7.07 3kt6A1 GLY 291 H -0.07 0.28 -0.57 -0.55 8.43 7.53 3kt6A1 GLY 291 HA2 -0.07 0.04 0.25 -0.51 4.01 3.72 3kt6A1 GLY 291 HA3 -0.30 0.12 0.67 -0.51 4.01 3.98 3kt6A1 SER 292 H -0.41 0.20 0.19 -0.55 8.46 7.89 3kt6A1 SER 292 HA -0.16 0.04 0.24 -0.75 4.49 3.85 3kt6A1 SER 292 HB2 -0.34 -0.00 0.19 -0.04 3.95 3.76 3kt6A1 SER 292 HB3 -0.22 -0.03 0.13 -0.04 3.93 3.76 3kt6A1 THR 293 H -0.08 0.22 0.17 -0.55 8.28 8.04 3kt6A1 THR 293 HA -0.07 -0.06 0.23 -0.75 4.39 3.73 3kt6A1 THR 293 HB -0.08 0.07 -0.32 -0.04 4.32 3.94 3kt6A1 THR 293 HG23 -0.09 -0.01 -0.23 -0.04 1.22 0.85 3kt6A1 THR 294 H -0.09 0.27 -0.15 -0.55 8.28 7.76 3kt6A1 THR 294 HA -0.16 0.18 0.91 -0.75 4.39 4.57 3kt6A1 THR 294 HB -0.09 -0.15 -0.08 -0.04 4.32 3.96 3kt6A1 THR 294 HG23 -0.09 0.04 0.09 -0.04 1.22 1.22 3kt6A1 LYS 295 H -0.21 0.13 0.09 -0.55 8.42 7.88 3kt6A1 LYS 295 HA 0.01 0.31 0.69 -0.75 4.32 4.57 3kt6A1 LYS 295 HB2 0.14 -0.03 0.09 -0.04 1.87 2.03 3kt6A1 LYS 295 HB3 -0.29 -0.05 0.03 -0.04 1.79 1.44 3kt6A1 LYS 295 HG2 -0.15 -0.03 -0.06 -0.04 1.46 1.18 3kt6A1 LYS 295 HG3 -0.01 0.06 -0.44 -0.04 1.46 1.03 3kt6A1 LYS 295 HD2 0.18 -0.03 -0.05 -0.04 1.69 1.76 3kt6A1 LYS 295 HD3 0.07 -0.02 -0.08 -0.04 1.68 1.61 3kt6A1 LYS 295 HE2 0.04 0.02 -0.14 -0.04 2.99 2.87 3kt6A1 LYS 295 HE3 0.10 0.05 -0.11 -0.04 2.99 2.99 3kt6A1 MET 296 H 0.03 0.47 0.10 -0.55 8.47 8.53 3kt6A1 MET 296 HA -0.14 -0.01 0.44 -0.75 4.52 4.06 3kt6A1 MET 296 HB2 0.02 0.23 -0.05 -0.04 2.15 2.30 3kt6A1 MET 296 HB3 -0.21 -0.10 0.09 -0.04 2.03 1.77 3kt6A1 MET 296 HG2 -1.33 -0.05 -0.29 -0.04 2.63 0.92 3kt6A1 MET 296 HG3 -0.39 0.10 0.07 -0.04 2.56 2.29 3kt6A1 MET 296 HE3 0.01 0.08 0.11 -0.04 2.10 2.25 3kt6A1 SER 297 H -0.16 0.19 0.19 -0.55 8.46 8.14 3kt6A1 SER 297 HA 0.08 0.16 0.85 -0.75 4.49 4.84 3kt6A1 SER 297 HB2 0.04 0.04 -0.09 -0.04 3.95 3.89 3kt6A1 SER 297 HB3 0.00 0.13 -0.12 -0.04 3.93 3.89 3kt6A1 ALA 298 H 0.22 0.21 0.04 -0.55 8.40 8.32 3kt6A1 ALA 298 HA 0.23 0.04 0.49 -0.75 4.34 4.34 3kt6A1 ALA 298 HB3 0.31 0.01 0.07 -0.04 1.41 1.77 3kt6A1 SER 299 H 0.06 0.27 0.16 -0.55 8.46 8.41 3kt6A1 SER 299 HA 0.06 0.23 0.87 -0.75 4.49 4.89 3kt6A1 SER 299 HB2 0.00 -0.11 0.15 -0.04 3.95 3.95 3kt6A1 SER 299 HB3 0.02 0.02 0.01 -0.04 3.93 3.94 3kt6A1 ASP 300 H 0.01 0.09 0.23 -0.55 8.40 8.18 3kt6A1 ASP 300 HA 0.03 0.31 0.92 -0.75 4.63 5.14 3kt6A1 ASP 300 HB2 -0.08 -0.22 0.10 -0.04 2.71 2.47 3kt6A1 ASP 300 HB3 -0.04 0.08 0.16 -0.04 2.70 2.85 3kt6A1 ASP 301 H 0.04 0.26 0.15 -0.55 8.40 8.30 3kt6A1 ASP 301 HA 0.34 0.14 0.63 -0.75 4.63 4.99 3kt6A1 ASP 301 HB2 0.07 0.02 0.13 -0.04 2.71 2.89 3kt6A1 ASP 301 HB3 0.05 0.04 0.05 -0.04 2.70 2.81 3kt6A1 THR 302 H -0.11 -0.14 -0.52 -0.55 8.28 6.96 3kt6A1 THR 302 HA -0.46 0.28 0.83 -0.75 4.39 4.29 3kt6A1 THR 302 HB -1.38 0.09 0.06 -0.04 4.32 3.05 3kt6A1 THR 302 HG23 -0.28 -0.00 -0.13 -0.04 1.22 0.77 3kt6A1 THR 303 H -0.13 0.08 -0.08 -0.55 8.28 7.61 3kt6A1 THR 303 HA -0.12 0.21 0.82 -0.75 4.39 4.55 3kt6A1 THR 303 HB -0.09 0.01 0.19 -0.04 4.32 4.39 3kt6A1 THR 303 HG23 -0.08 0.01 0.01 -0.04 1.22 1.13 3kt6A1 ALA 304 H -0.20 0.20 -0.15 -0.55 8.40 7.71 3kt6A1 ALA 304 HA -0.25 0.11 0.82 -0.75 4.34 4.27 3kt6A1 ALA 304 HB3 -0.62 0.04 -0.18 -0.04 1.41 0.61 3kt6A1 ILE 305 H -0.25 0.15 0.10 -0.55 8.25 7.70 3kt6A1 ILE 305 HA -0.13 0.19 0.85 -0.75 4.18 4.32 3kt6A1 ILE 305 HB -0.13 -0.07 0.14 -0.04 1.89 1.78 3kt6A1 ILE 305 HG12 0.02 0.06 -0.03 -0.04 1.49 1.50 3kt6A1 ILE 305 HG13 0.01 -0.07 -0.22 -0.04 1.21 0.89 3kt6A1 ILE 305 HG23 -0.06 0.02 -0.13 -0.04 0.93 0.72 3kt6A1 ILE 305 HD13 0.12 0.02 -0.06 -0.04 0.88 0.91 3kt6A1 PHE 306 H 0.04 0.18 0.08 -0.55 8.34 8.09 3kt6A1 PHE 306 HA 0.02 0.12 0.79 -0.75 4.62 4.81 3kt6A1 PHE 306 HB2 0.01 -0.03 0.04 -0.04 3.15 3.13 3kt6A1 PHE 306 HB3 0.02 0.03 0.01 -0.04 3.06 3.08 3kt6A1 PHE 306 HD2 0.04 0.07 -0.19 -0.04 7.28 7.15 3kt6A1 PHE 306 HE2 0.05 -0.01 -0.10 -0.04 7.38 7.28 3kt6A1 PHE 306 HZ 0.02 0.01 -0.20 -0.04 7.32 7.10 3kt6A1 MET 307 H 0.15 0.64 0.21 -0.55 8.47 8.92 3kt6A1 MET 307 HA -0.03 0.13 0.47 -0.75 4.52 4.33 3kt6A1 MET 307 HB2 0.03 -0.01 0.02 -0.04 2.15 2.15 3kt6A1 MET 307 HB3 -0.26 0.08 0.08 -0.04 2.03 1.88 3kt6A1 MET 307 HG2 -0.11 0.00 -0.34 -0.04 2.63 2.14 3kt6A1 MET 307 HG3 -0.55 0.05 -0.16 -0.04 2.56 1.86 3kt6A1 MET 307 HE3 -0.63 0.03 -0.05 -0.04 2.10 1.41 3kt6A1 THR 308 H 0.16 -0.10 -0.49 -0.55 8.28 7.30 3kt6A1 THR 308 HA 0.10 0.29 0.80 -0.75 4.39 4.83 3kt6A1 THR 308 HB 0.04 0.02 0.03 -0.04 4.32 4.36 3kt6A1 THR 308 HG23 0.05 0.01 -0.10 -0.04 1.22 1.14 3kt6A1 ASP 309 H 0.13 0.23 -0.28 -0.55 8.40 7.93 3kt6A1 ASP 309 HA 0.09 -0.05 0.40 -0.75 4.63 4.32 3kt6A1 ASP 309 HB2 0.07 0.20 0.08 -0.04 2.71 3.01 3kt6A1 ASP 309 HB3 0.07 -0.02 -0.06 -0.04 2.70 2.64 3kt6A1 THR 310 H 0.05 0.00 0.18 -0.55 8.28 7.96 3kt6A1 THR 310 HA 0.04 0.31 0.59 -0.75 4.39 4.57 3kt6A1 THR 310 HB 0.03 0.04 0.17 -0.04 4.32 4.51 3kt6A1 THR 310 HG23 0.03 0.05 0.06 -0.04 1.22 1.33 3kt6A1 PRO 311 HA 0.03 0.12 0.48 -0.51 4.44 4.56 3kt6A1 PRO 311 HB2 0.02 -0.02 0.07 -0.04 2.28 2.31 3kt6A1 PRO 311 HB3 0.02 0.08 0.08 -0.04 2.02 2.16 3kt6A1 PRO 311 HG2 0.02 0.08 0.09 -0.04 2.03 2.17 3kt6A1 PRO 311 HG3 0.03 0.14 0.09 -0.04 2.03 2.24 3kt6A1 PRO 311 HD2 0.03 0.06 0.22 -0.04 3.68 3.94 3kt6A1 PRO 311 HD3 0.03 0.25 0.20 -0.04 3.65 4.09 3kt6A1 LYS 312 H 0.03 0.16 -0.13 -0.55 8.42 7.93 3kt6A1 LYS 312 HA 0.02 0.11 0.39 -0.75 4.32 4.09 3kt6A1 LYS 312 HB2 0.02 0.05 0.08 -0.04 1.87 1.98 3kt6A1 LYS 312 HB3 0.03 -0.02 0.03 -0.04 1.79 1.79 3kt6A1 LYS 312 HG2 0.02 -0.02 -0.12 -0.04 1.46 1.31 3kt6A1 LYS 312 HG3 0.02 0.02 0.04 -0.04 1.46 1.49 3kt6A1 LYS 312 HD2 0.02 0.02 -0.00 -0.04 1.69 1.69 3kt6A1 LYS 312 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 3kt6A1 LYS 312 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.92 3kt6A1 LYS 312 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 3kt6A1 GLN 313 H 0.04 0.06 -0.33 -0.55 8.47 7.69 3kt6A1 GLN 313 HA 0.05 0.07 0.40 -0.75 4.36 4.13 3kt6A1 GLN 313 HB2 0.06 -0.03 0.17 -0.04 2.15 2.30 3kt6A1 GLN 313 HB3 0.08 0.04 0.02 -0.04 2.02 2.12 3kt6A1 GLN 313 HG2 0.06 0.06 0.04 -0.04 2.40 2.52 3kt6A1 GLN 313 HG3 0.05 -0.04 0.03 -0.04 2.39 2.38 3kt6A1 GLN 313 HE21 0.04 0.06 0.01 -0.04 6.97 7.04 3kt6A1 GLN 313 HE22 0.05 0.02 0.01 -0.04 7.69 7.73 3kt6A1 ILE 314 H 0.04 0.59 -0.17 -0.55 8.25 8.16 3kt6A1 ILE 314 HA 0.04 0.00 0.45 -0.75 4.18 3.92 3kt6A1 ILE 314 HB 0.03 0.12 0.09 -0.04 1.89 2.08 3kt6A1 ILE 314 HG12 0.01 -0.08 -0.07 -0.04 1.49 1.32 3kt6A1 ILE 314 HG13 0.04 0.05 -0.14 -0.04 1.21 1.12 3kt6A1 ILE 314 HG23 0.01 -0.02 -0.17 -0.04 0.93 0.72 3kt6A1 ILE 314 HD13 0.02 0.02 -0.21 -0.04 0.88 0.66 3kt6A1 GLN 315 H 0.03 0.49 -0.14 -0.55 8.47 8.31 3kt6A1 GLN 315 HA 0.02 0.00 0.39 -0.75 4.36 4.01 3kt6A1 GLN 315 HB2 0.02 0.06 0.11 -0.04 2.15 2.29 3kt6A1 GLN 315 HB3 0.02 0.14 0.14 -0.04 2.02 2.28 3kt6A1 GLN 315 HG2 0.00 -0.02 -0.18 -0.04 2.40 2.16 3kt6A1 GLN 315 HG3 0.01 -0.03 0.01 -0.04 2.39 2.34 3kt6A1 GLN 315 HE21 0.01 -0.00 -0.03 -0.04 6.97 6.90 3kt6A1 GLN 315 HE22 0.01 -0.00 -0.02 -0.04 7.69 7.63 3kt6A1 LYS 316 H 0.03 0.49 -0.19 -0.55 8.42 8.19 3kt6A1 LYS 316 HA -0.01 0.02 0.39 -0.75 4.32 3.96 3kt6A1 LYS 316 HB2 0.03 0.10 0.13 -0.04 1.87 2.09 3kt6A1 LYS 316 HB3 0.06 0.06 0.12 -0.04 1.79 1.99 3kt6A1 LYS 316 HG2 0.02 -0.01 -0.07 -0.04 1.46 1.36 3kt6A1 LYS 316 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.43 3kt6A1 LYS 316 HD2 0.05 -0.01 -0.02 -0.04 1.69 1.67 3kt6A1 LYS 316 HD3 0.03 -0.00 -0.02 -0.04 1.68 1.64 3kt6A1 LYS 316 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 3kt6A1 LYS 316 HE3 0.02 0.05 -0.03 -0.04 2.99 2.99 3kt6A1 LYS 317 H 0.08 0.54 -0.13 -0.55 8.42 8.36 3kt6A1 LYS 317 HA 0.31 0.02 0.38 -0.75 4.32 4.28 3kt6A1 LYS 317 HB2 0.09 0.06 0.14 -0.04 1.87 2.12 3kt6A1 LYS 317 HB3 0.15 -0.06 -0.07 -0.04 1.79 1.78 3kt6A1 LYS 317 HG2 0.22 -0.02 0.07 -0.04 1.46 1.69 3kt6A1 LYS 317 HG3 0.12 0.19 0.13 -0.04 1.46 1.86 3kt6A1 LYS 317 HD2 0.04 -0.13 0.01 -0.04 1.69 1.57 3kt6A1 LYS 317 HD3 0.02 0.05 -0.04 -0.04 1.68 1.67 3kt6A1 LYS 317 HE2 0.11 0.08 0.13 -0.04 2.99 3.27 3kt6A1 LYS 317 HE3 0.10 -0.12 0.02 -0.04 2.99 2.95 3kt6A1 ILE 318 H 0.05 0.58 -0.12 -0.55 8.25 8.21 3kt6A1 ILE 318 HA 0.03 -0.02 0.43 -0.75 4.18 3.86 3kt6A1 ILE 318 HB 0.02 0.10 0.11 -0.04 1.89 2.07 3kt6A1 ILE 318 HG12 0.07 0.09 0.03 -0.04 1.49 1.64 3kt6A1 ILE 318 HG13 0.06 -0.04 -0.08 -0.04 1.21 1.10 3kt6A1 ILE 318 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.75 3kt6A1 ILE 318 HD13 0.11 -0.02 -0.07 -0.04 0.88 0.86 3kt6A1 ASN 319 H -0.02 0.54 -0.12 -0.55 8.53 8.38 3kt6A1 ASN 319 HA -0.05 -0.01 0.42 -0.75 4.76 4.37 3kt6A1 ASN 319 HB2 -0.05 0.11 0.17 -0.04 2.88 3.07 3kt6A1 ASN 319 HB3 -0.06 -0.04 -0.02 -0.04 2.79 2.62 3kt6A1 ASN 319 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.87 3kt6A1 ASN 319 HD22 -0.02 -0.01 -0.07 -0.04 7.74 7.60 3kt6A1 LYS 320 H -0.15 0.58 -0.05 -0.55 8.42 8.24 3kt6A1 LYS 320 HA -0.23 0.05 0.46 -0.75 4.32 3.85 3kt6A1 LYS 320 HB2 -0.33 -0.05 0.10 -0.04 1.87 1.56 3kt6A1 LYS 320 HB3 -0.93 0.02 0.09 -0.04 1.79 0.93 3kt6A1 LYS 320 HG2 -1.05 0.01 -0.13 -0.04 1.46 0.25 3kt6A1 LYS 320 HG3 -0.34 -0.02 0.05 -0.04 1.46 1.10 3kt6A1 LYS 320 HD2 -0.22 -0.03 -0.01 -0.04 1.69 1.40 3kt6A1 LYS 320 HD3 -0.48 -0.02 -0.04 -0.04 1.68 1.10 3kt6A1 LYS 320 HE2 -0.08 0.01 -0.03 -0.04 2.99 2.85 3kt6A1 LYS 320 HE3 -0.10 -0.00 -0.01 -0.04 2.99 2.83 3kt6A1 TYR 321 H -0.07 0.49 -0.03 -0.55 8.29 8.13 3kt6A1 TYR 321 HA 0.01 0.17 0.71 -0.75 4.56 4.70 3kt6A1 TYR 321 HB2 -0.00 0.05 0.04 -0.04 3.06 3.11 3kt6A1 TYR 321 HB3 0.00 -0.04 0.01 -0.04 2.98 2.92 3kt6A1 TYR 321 HD2 0.01 0.01 0.02 -0.04 7.15 7.15 3kt6A1 TYR 321 HE2 0.01 -0.02 -0.05 -0.04 6.85 6.75 3kt6A1 ALA 322 H 0.04 0.24 0.05 -0.55 8.40 8.18 3kt6A1 ALA 322 HA 0.00 0.15 0.49 -0.75 4.34 4.24 3kt6A1 ALA 322 HB3 -0.08 0.00 0.12 -0.04 1.41 1.41 3kt6A1 PHE 323 H 0.12 0.48 0.34 -0.55 8.34 8.73 3kt6A1 PHE 323 HA -0.03 0.06 0.50 -0.75 4.62 4.40 3kt6A1 PHE 323 HB2 -0.04 0.22 -0.02 -0.04 3.15 3.26 3kt6A1 PHE 323 HB3 -0.07 -0.13 0.10 -0.04 3.06 2.92 3kt6A1 PHE 323 HD2 -0.03 0.07 0.03 -0.04 7.28 7.31 3kt6A1 PHE 323 HE2 -0.01 -0.06 0.03 -0.04 7.38 7.29 3kt6A1 PHE 323 HZ -0.01 -0.05 0.06 -0.04 7.32 7.27 3kt6A1 SER 324 H -0.61 0.21 0.22 -0.55 8.46 7.73 3kt6A1 SER 324 HA -0.18 -0.02 0.86 -0.75 4.49 4.39 3kt6A1 SER 324 HB2 -0.16 0.12 0.01 -0.04 3.95 3.87 3kt6A1 SER 324 HB3 -0.27 0.09 0.08 -0.04 3.93 3.78 3kt6A1 GLY 325 H -0.01 0.03 0.14 -0.55 8.43 8.04 3kt6A1 GLY 325 HA2 -0.09 0.25 0.76 -0.51 4.01 4.42 3kt6A1 GLY 325 HA3 0.07 0.12 0.29 -0.51 4.01 3.98 3kt6A1 GLY 326 H 0.01 -0.09 -0.12 -0.55 8.43 7.68 3kt6A1 GLY 326 HA2 -0.08 0.26 0.70 -0.51 4.01 4.38 3kt6A1 GLY 326 HA3 -0.11 -0.08 0.31 -0.51 4.01 3.62 3kt6A1 GLN 327 H 0.15 0.11 0.10 -0.55 8.47 8.28 3kt6A1 GLN 327 HA -0.04 0.22 0.78 -0.75 4.36 4.57 3kt6A1 GLN 327 HB2 0.08 -0.01 -0.10 -0.04 2.15 2.08 3kt6A1 GLN 327 HB3 -0.01 -0.13 -0.02 -0.04 2.02 1.83 3kt6A1 GLN 327 HG2 0.04 0.10 -0.12 -0.04 2.40 2.38 3kt6A1 GLN 327 HG3 -0.02 0.15 -0.29 -0.04 2.39 2.19 3kt6A1 GLN 327 HE21 -0.05 -0.03 -0.06 -0.04 6.97 6.79 3kt6A1 GLN 327 HE22 -0.07 0.25 -0.07 -0.04 7.69 7.76 3kt6A1 VAL 328 H -0.05 0.15 0.14 -0.55 8.24 7.93 3kt6A1 VAL 328 HA -0.08 0.11 0.42 -0.75 4.13 3.82 3kt6A1 VAL 328 HB -0.06 0.08 0.08 -0.04 2.12 2.18 3kt6A1 VAL 328 HG13 -0.04 0.01 0.11 -0.04 0.97 1.01 3kt6A1 VAL 328 HG23 -0.04 -0.01 -0.09 -0.04 0.95 0.77 3kt6A1 SER 329 H -0.03 0.05 0.01 -0.55 8.46 7.94 3kt6A1 SER 329 HA -0.03 0.23 0.84 -0.75 4.49 4.78 3kt6A1 SER 329 HB2 -0.02 -0.02 0.13 -0.04 3.95 4.00 3kt6A1 SER 329 HB3 -0.02 0.10 0.07 -0.04 3.93 4.04 3kt6A1 ALA 330 H -0.02 0.20 0.17 -0.55 8.40 8.20 3kt6A1 ALA 330 HA 0.01 0.12 0.42 -0.75 4.34 4.13 3kt6A1 ALA 330 HB3 -0.01 0.04 0.12 -0.04 1.41 1.52 3kt6A1 ASP 331 H -0.01 0.08 -0.03 -0.55 8.40 7.89 3kt6A1 ASP 331 HA -0.01 0.14 0.37 -0.75 4.63 4.38 3kt6A1 ASP 331 HB2 -0.01 -0.08 0.10 -0.04 2.71 2.68 3kt6A1 ASP 331 HB3 -0.02 0.09 -0.01 -0.04 2.70 2.73 3kt6A1 LEU 332 H -0.01 0.02 -0.23 -0.55 8.37 7.61 3kt6A1 LEU 332 HA -0.03 0.12 0.43 -0.75 4.35 4.12 3kt6A1 LEU 332 HB2 -0.02 -0.04 0.08 -0.04 1.64 1.62 3kt6A1 LEU 332 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.58 3kt6A1 LEU 332 HG -0.03 0.05 0.07 -0.04 1.64 1.68 3kt6A1 LEU 332 HD13 -0.03 0.02 0.04 -0.04 0.93 0.92 3kt6A1 LEU 332 HD23 -0.02 -0.00 0.02 -0.04 0.89 0.84 3kt6A1 HIS 333 H 0.06 0.26 -0.41 -0.55 8.41 7.77 3kt6A1 HIS 333 HA -0.12 0.07 0.56 -0.75 4.63 4.39 3kt6A1 HIS 333 HB2 -0.10 0.05 0.06 -0.04 3.26 3.24 3kt6A1 HIS 333 HB3 -0.09 0.11 0.15 -0.04 3.20 3.33 3kt6A1 HIS 333 HD2 -0.12 0.15 -0.22 -0.04 6.97 6.74 3kt6A1 HIS 333 HE1 -0.90 -0.07 -0.04 -0.04 7.75 6.69 3kt6A1 ARG 334 H -0.01 0.49 0.03 -0.55 8.46 8.42 3kt6A1 ARG 334 HA -0.13 0.15 0.48 -0.75 4.34 4.09 3kt6A1 ARG 334 HB2 -0.04 0.00 0.05 -0.04 1.90 1.88 3kt6A1 ARG 334 HB3 -0.05 -0.01 0.06 -0.04 1.80 1.77 3kt6A1 ARG 334 HG2 0.00 0.38 0.16 -0.04 1.67 2.17 3kt6A1 ARG 334 HG3 -0.01 -0.14 -0.01 -0.04 1.67 1.46 3kt6A1 ARG 334 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.15 3kt6A1 ARG 334 HD3 0.01 0.27 0.04 -0.04 3.22 3.50 3kt6A1 GLU 335 H -0.07 0.25 -0.26 -0.55 8.60 7.97 3kt6A1 GLU 335 HA -0.07 0.05 0.48 -0.75 4.29 4.00 3kt6A1 GLU 335 HB2 -0.04 -0.03 0.10 -0.04 2.09 2.08 3kt6A1 GLU 335 HB3 -0.05 -0.00 0.17 -0.04 1.99 2.06 3kt6A1 GLU 335 HG2 -0.05 0.06 -0.17 -0.04 2.34 2.13 3kt6A1 GLU 335 HG3 -0.04 -0.02 0.03 -0.04 2.34 2.27 3kt6A1 LEU 336 H -0.12 0.50 0.03 -0.55 8.37 8.23 3kt6A1 LEU 336 HA -0.10 0.08 0.58 -0.75 4.35 4.16 3kt6A1 LEU 336 HB2 -0.10 0.06 0.14 -0.04 1.64 1.69 3kt6A1 LEU 336 HB3 -0.09 -0.02 0.08 -0.04 1.64 1.56 3kt6A1 LEU 336 HG -0.06 -0.02 0.08 -0.04 1.64 1.60 3kt6A1 LEU 336 HD13 -0.04 -0.03 0.01 -0.04 0.93 0.82 3kt6A1 LEU 336 HD23 -0.05 -0.00 -0.08 -0.04 0.89 0.71 3kt6A1 GLY 337 H -0.34 0.44 -0.02 -0.55 8.43 7.97 3kt6A1 GLY 337 HA2 -0.68 -0.03 0.31 -0.51 4.01 3.10 3kt6A1 GLY 337 HA3 -0.32 0.30 0.49 -0.51 4.01 3.96 3kt6A1 GLY 338 H -0.56 0.72 0.31 -0.55 8.43 8.35 3kt6A1 GLY 338 HA2 -0.25 0.27 0.90 -0.51 4.01 4.42 3kt6A1 GLY 338 HA3 -0.86 -0.19 0.16 -0.51 4.01 2.61 3kt6A1 ASN 339 H -0.02 0.51 -0.00 -0.55 8.53 8.47 3kt6A1 ASN 339 HA -0.09 0.27 0.93 -0.75 4.76 5.11 3kt6A1 ASN 339 HB2 -0.04 0.14 0.05 -0.04 2.88 2.99 3kt6A1 ASN 339 HB3 0.02 0.02 0.24 -0.04 2.79 3.02 3kt6A1 ASN 339 HD21 0.02 -0.01 -0.03 -0.04 7.03 6.98 3kt6A1 ASN 339 HD22 0.02 0.08 0.02 -0.04 7.74 7.83 3kt6A1 PRO 340 HA -0.17 -0.02 0.39 -0.51 4.44 4.13 3kt6A1 PRO 340 HB2 -0.94 0.06 -0.02 -0.04 2.28 1.34 3kt6A1 PRO 340 HB3 -0.81 0.02 0.06 -0.04 2.02 1.25 3kt6A1 PRO 340 HG2 -1.29 0.02 0.09 -0.04 2.03 0.81 3kt6A1 PRO 340 HG3 -1.18 0.22 0.16 -0.04 2.03 1.18 3kt6A1 PRO 340 HD2 -0.31 0.14 0.28 -0.04 3.68 3.75 3kt6A1 PRO 340 HD3 -0.15 0.30 -0.04 -0.04 3.65 3.72 3kt6A1 ASP 341 H -0.06 0.14 -0.29 -0.55 8.40 7.65 3kt6A1 ASP 341 HA 0.14 0.13 0.40 -0.75 4.63 4.55 3kt6A1 ASP 341 HB2 0.04 -0.00 0.01 -0.04 2.71 2.72 3kt6A1 ASP 341 HB3 0.07 0.02 0.02 -0.04 2.70 2.78 3kt6A1 VAL 342 H 0.06 0.26 -0.31 -0.55 8.24 7.70 3kt6A1 VAL 342 HA 0.09 0.23 0.82 -0.75 4.13 4.52 3kt6A1 VAL 342 HB 0.21 0.01 0.13 -0.04 2.12 2.43 3kt6A1 VAL 342 HG13 0.06 -0.01 -0.13 -0.04 0.97 0.85 3kt6A1 VAL 342 HG23 0.14 -0.01 -0.01 -0.04 0.95 1.02 3kt6A1 ASP 343 H 0.07 0.28 -0.33 -0.55 8.40 7.87 3kt6A1 ASP 343 HA 0.04 0.17 0.63 -0.75 4.63 4.72 3kt6A1 ASP 343 HB2 0.07 0.13 0.03 -0.04 2.71 2.90 3kt6A1 ASP 343 HB3 -0.06 0.06 0.20 -0.04 2.70 2.86 3kt6A1 VAL 344 H 0.01 0.62 0.23 -0.55 8.24 8.55 3kt6A1 VAL 344 HA -0.20 0.06 0.23 -0.75 4.13 3.47 3kt6A1 VAL 344 HB -0.17 0.07 0.17 -0.04 2.12 2.15 3kt6A1 VAL 344 HG13 -0.83 -0.01 -0.12 -0.04 0.97 -0.03 3kt6A1 VAL 344 HG23 -0.03 0.09 0.08 -0.04 0.95 1.04 3kt6A1 ALA 345 H -0.15 0.18 -0.15 -0.55 8.40 7.73 3kt6A1 ALA 345 HA -0.16 0.07 0.36 -0.75 4.34 3.85 3kt6A1 ALA 345 HB3 -0.08 0.03 -0.10 -0.04 1.41 1.22 3kt6A1 TYR 346 H -0.01 0.15 -0.29 -0.55 8.29 7.58 3kt6A1 TYR 346 HA -0.04 0.05 0.51 -0.75 4.56 4.33 3kt6A1 TYR 346 HB2 -0.28 -0.09 0.04 -0.04 3.06 2.68 3kt6A1 TYR 346 HB3 -0.13 0.23 0.15 -0.04 2.98 3.19 3kt6A1 TYR 346 HD2 -0.03 0.08 -0.11 -0.04 7.15 7.05 3kt6A1 TYR 346 HE2 0.10 0.05 -0.02 -0.04 6.85 6.93 3kt6A1 GLN 347 H 0.05 0.53 -0.07 -0.55 8.47 8.44 3kt6A1 GLN 347 HA 0.02 0.04 0.41 -0.75 4.36 4.07 3kt6A1 GLN 347 HB2 -0.02 0.10 0.13 -0.04 2.15 2.32 3kt6A1 GLN 347 HB3 0.14 -0.02 -0.01 -0.04 2.02 2.09 3kt6A1 GLN 347 HG2 0.10 0.17 -0.12 -0.04 2.40 2.51 3kt6A1 GLN 347 HG3 0.04 -0.02 -0.19 -0.04 2.39 2.18 3kt6A1 GLN 347 HE21 0.17 -0.05 -0.01 -0.04 6.97 7.04 3kt6A1 GLN 347 HE22 0.29 0.14 -0.02 -0.04 7.69 8.06 3kt6A1 TYR 348 H 0.11 0.65 -0.10 -0.55 8.29 8.40 3kt6A1 TYR 348 HA 0.21 0.02 0.35 -0.75 4.56 4.38 3kt6A1 TYR 348 HB2 0.02 0.08 0.10 -0.04 3.06 3.22 3kt6A1 TYR 348 HB3 0.10 -0.04 -0.05 -0.04 2.98 2.94 3kt6A1 TYR 348 HD2 -0.19 -0.07 -0.09 -0.04 7.15 6.76 3kt6A1 TYR 348 HE2 -0.39 0.03 -0.07 -0.04 6.85 6.37 3kt6A1 LEU 349 H 0.11 0.42 -0.29 -0.55 8.37 8.07 3kt6A1 LEU 349 HA 0.16 -0.00 0.44 -0.75 4.35 4.19 3kt6A1 LEU 349 HB2 -0.04 0.14 0.21 -0.04 1.64 1.90 3kt6A1 LEU 349 HB3 0.11 -0.04 -0.06 -0.04 1.64 1.61 3kt6A1 LEU 349 HG 0.12 0.03 0.04 -0.04 1.64 1.78 3kt6A1 LEU 349 HD13 0.21 -0.03 -0.10 -0.04 0.93 0.96 3kt6A1 LEU 349 HD23 0.15 0.00 -0.17 -0.04 0.89 0.84 3kt6A1 SER 350 H -0.16 0.57 -0.16 -0.55 8.46 8.17 3kt6A1 SER 350 HA -0.10 0.01 0.37 -0.75 4.49 4.02 3kt6A1 SER 350 HB2 -0.21 -0.07 0.08 -0.04 3.95 3.71 3kt6A1 SER 350 HB3 -0.51 0.04 0.11 -0.04 3.93 3.52 3kt6A1 PHE 351 H 0.28 0.31 -0.42 -0.55 8.34 7.96 3kt6A1 PHE 351 HA -0.01 0.04 0.61 -0.75 4.62 4.50 3kt6A1 PHE 351 HB2 0.24 0.11 0.14 -0.04 3.15 3.59 3kt6A1 PHE 351 HB3 -0.26 -0.06 -0.07 -0.04 3.06 2.64 3kt6A1 PHE 351 HD2 -0.27 0.13 -0.07 -0.04 7.28 7.03 3kt6A1 PHE 351 HE2 -0.27 -0.01 -0.06 -0.04 7.38 7.00 3kt6A1 PHE 351 HZ -0.19 0.01 -0.22 -0.04 7.32 6.89 3kt6A1 PHE 352 H 0.35 0.38 -0.09 -0.55 8.34 8.43 3kt6A1 PHE 352 HA 0.13 0.16 0.66 -0.75 4.62 4.82 3kt6A1 PHE 352 HB2 0.04 0.09 0.02 -0.04 3.15 3.26 3kt6A1 PHE 352 HB3 -0.04 -0.04 0.05 -0.04 3.06 2.99 3kt6A1 PHE 352 HD2 -0.32 0.11 -0.00 -0.04 7.28 7.02 3kt6A1 PHE 352 HE2 -1.30 -0.03 -0.08 -0.04 7.38 5.93 3kt6A1 PHE 352 HZ -0.61 0.05 -0.05 -0.04 7.32 6.67 3kt6A1 LYS 353 H 0.09 0.49 -0.14 -0.55 8.42 8.31 3kt6A1 LYS 353 HA -0.05 0.12 0.90 -0.75 4.32 4.54 3kt6A1 LYS 353 HB2 -0.01 -0.04 -0.04 -0.04 1.87 1.73 3kt6A1 LYS 353 HB3 0.02 0.10 0.08 -0.04 1.79 1.95 3kt6A1 LYS 353 HG2 -0.26 -0.08 -0.13 -0.04 1.46 0.95 3kt6A1 LYS 353 HG3 -0.19 -0.03 -0.30 -0.04 1.46 0.91 3kt6A1 LYS 353 HD2 -0.22 0.05 -0.01 -0.04 1.69 1.47 3kt6A1 LYS 353 HD3 -0.29 0.01 -0.05 -0.04 1.68 1.32 3kt6A1 LYS 353 HE2 -1.93 -0.05 -0.08 -0.04 2.99 0.89 3kt6A1 LYS 353 HE3 -0.58 -0.03 -0.08 -0.04 2.99 2.27 3kt6A1 ASP 354 H -0.22 0.23 -0.01 -0.55 8.40 7.86 3kt6A1 ASP 354 HA -0.51 0.13 0.78 -0.75 4.63 4.28 3kt6A1 ASP 354 HB2 -0.94 0.05 0.03 -0.04 2.71 1.80 3kt6A1 ASP 354 HB3 -0.31 0.03 0.20 -0.04 2.70 2.58 3kt6A1 ASP 355 H -0.10 0.35 -0.20 -0.55 8.40 7.90 3kt6A1 ASP 355 HA -0.04 0.08 0.54 -0.75 4.63 4.46 3kt6A1 ASP 355 HB2 -0.11 0.20 -0.35 -0.04 2.71 2.41 3kt6A1 ASP 355 HB3 -0.01 -0.02 -0.01 -0.04 2.70 2.62 3kt6A1 ASP 356 H -0.01 0.24 0.10 -0.55 8.40 8.18 3kt6A1 ASP 356 HA 0.02 0.14 0.34 -0.75 4.63 4.37 3kt6A1 ASP 356 HB2 0.00 -0.00 0.10 -0.04 2.71 2.77 3kt6A1 ASP 356 HB3 -0.00 0.06 0.03 -0.04 2.70 2.75 3kt6A1 VAL 357 H 0.04 0.11 -0.10 -0.55 8.24 7.74 3kt6A1 VAL 357 HA 0.04 0.11 0.43 -0.75 4.13 3.96 3kt6A1 VAL 357 HB 0.06 -0.03 0.08 -0.04 2.12 2.19 3kt6A1 VAL 357 HG13 0.05 0.02 -0.13 -0.04 0.97 0.87 3kt6A1 VAL 357 HG23 0.02 0.02 0.03 -0.04 0.95 0.98 3kt6A1 PHE 358 H 0.20 0.10 -0.19 -0.55 8.34 7.90 3kt6A1 PHE 358 HA 0.03 0.04 0.40 -0.75 4.62 4.34 3kt6A1 PHE 358 HB2 0.01 -0.00 0.05 -0.04 3.15 3.17 3kt6A1 PHE 358 HB3 0.00 0.13 0.05 -0.04 3.06 3.21 3kt6A1 PHE 358 HD2 0.02 0.04 -0.16 -0.04 7.28 7.14 3kt6A1 PHE 358 HE2 0.02 0.01 -0.09 -0.04 7.38 7.29 3kt6A1 PHE 358 HZ 0.03 -0.01 -0.08 -0.04 7.32 7.22 3kt6A1 LEU 359 H 0.21 0.46 -0.24 -0.55 8.37 8.25 3kt6A1 LEU 359 HA 0.13 0.02 0.38 -0.75 4.35 4.12 3kt6A1 LEU 359 HB2 0.11 0.09 0.12 -0.04 1.64 1.92 3kt6A1 LEU 359 HB3 0.10 0.01 -0.05 -0.04 1.64 1.66 3kt6A1 LEU 359 HG -0.06 -0.02 -0.01 -0.04 1.64 1.50 3kt6A1 LEU 359 HD13 0.23 -0.01 -0.19 -0.04 0.93 0.91 3kt6A1 LEU 359 HD23 0.00 0.01 -0.02 -0.04 0.89 0.85 3kt6A1 LYS 360 H 0.06 0.50 -0.13 -0.55 8.42 8.30 3kt6A1 LYS 360 HA 0.06 0.07 0.63 -0.75 4.32 4.32 3kt6A1 LYS 360 HB2 0.00 0.04 0.11 -0.04 1.87 1.99 3kt6A1 LYS 360 HB3 0.02 0.05 0.16 -0.04 1.79 1.98 3kt6A1 LYS 360 HG2 0.01 -0.03 -0.14 -0.04 1.46 1.26 3kt6A1 LYS 360 HG3 -0.02 -0.02 0.07 -0.04 1.46 1.44 3kt6A1 LYS 360 HD2 -0.03 0.01 -0.00 -0.04 1.69 1.63 3kt6A1 LYS 360 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.62 3kt6A1 LYS 360 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 3kt6A1 LYS 360 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 3kt6A1 GLU 361 H -0.01 0.62 -0.02 -0.55 8.60 8.65 3kt6A1 GLU 361 HA -0.00 0.02 0.46 -0.75 4.29 4.02 3kt6A1 GLU 361 HB2 -0.08 0.10 0.16 -0.04 2.09 2.23 3kt6A1 GLU 361 HB3 -0.06 -0.04 -0.02 -0.04 1.99 1.84 3kt6A1 GLU 361 HG2 -0.00 -0.03 0.03 -0.04 2.34 2.30 3kt6A1 GLU 361 HG3 0.01 0.10 0.05 -0.04 2.34 2.46 3kt6A1 CYS 362 H -0.17 0.62 -0.14 -0.55 8.50 8.26 3kt6A1 CYS 362 HA -0.12 -0.02 0.42 -0.75 4.58 4.11 3kt6A1 CYS 362 HB2 -0.05 0.14 0.12 -0.04 2.97 3.15 3kt6A1 CYS 362 HB3 -0.00 -0.06 -0.07 -0.04 2.97 2.80 3kt6A1 TYR 363 H 0.12 0.42 -0.29 -0.55 8.29 8.00 3kt6A1 TYR 363 HA -0.41 -0.04 0.39 -0.75 4.56 3.74 3kt6A1 TYR 363 HB2 -0.06 0.17 0.21 -0.04 3.06 3.34 3kt6A1 TYR 363 HB3 -0.06 0.13 0.20 -0.04 2.98 3.21 3kt6A1 TYR 363 HD2 -0.23 0.03 -0.12 -0.04 7.15 6.79 3kt6A1 TYR 363 HE2 -0.05 0.00 -0.04 -0.04 6.85 6.72 3kt6A1 ASP 364 H 0.09 0.54 -0.14 -0.55 8.40 8.34 3kt6A1 ASP 364 HA 0.05 0.06 0.47 -0.75 4.63 4.46 3kt6A1 ASP 364 HB2 0.03 0.05 0.17 -0.04 2.71 2.91 3kt6A1 ASP 364 HB3 0.02 -0.03 0.02 -0.04 2.70 2.68 3kt6A1 LYS 365 H -0.01 0.73 0.02 -0.55 8.42 8.61 3kt6A1 LYS 365 HA -0.02 0.04 0.42 -0.75 4.32 4.01 3kt6A1 LYS 365 HB2 -0.02 0.30 0.15 -0.04 1.87 2.26 3kt6A1 LYS 365 HB3 0.01 -0.12 -0.07 -0.04 1.79 1.57 3kt6A1 LYS 365 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.34 3kt6A1 LYS 365 HG3 -0.01 -0.04 0.01 -0.04 1.46 1.38 3kt6A1 LYS 365 HD2 -0.01 0.02 0.05 -0.04 1.69 1.72 3kt6A1 LYS 365 HD3 -0.01 -0.02 -0.00 -0.04 1.68 1.60 3kt6A1 LYS 365 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 3kt6A1 LYS 365 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.92 3kt6A1 TYR 366 H 0.04 0.55 -0.32 -0.55 8.29 8.00 3kt6A1 TYR 366 HA -0.02 0.10 0.58 -0.75 4.56 4.47 3kt6A1 TYR 366 HB2 -0.15 0.17 0.09 -0.04 3.06 3.13 3kt6A1 TYR 366 HB3 -0.28 0.11 0.05 -0.04 2.98 2.82 3kt6A1 TYR 366 HD2 -0.10 0.07 -0.32 -0.04 7.15 6.76 3kt6A1 TYR 366 HE2 -0.09 -0.08 -0.42 -0.04 6.85 6.22 3kt6A1 LYS 367 H -0.12 0.42 0.00 -0.55 8.42 8.17 3kt6A1 LYS 367 HA -0.21 0.35 0.63 -0.75 4.32 4.34 3kt6A1 LYS 367 HB2 -0.22 0.16 0.31 -0.04 1.87 2.08 3kt6A1 LYS 367 HB3 -0.09 0.02 0.13 -0.04 1.79 1.80 3kt6A1 LYS 367 HG2 -0.09 -0.01 0.09 -0.04 1.46 1.41 3kt6A1 LYS 367 HG3 -0.17 0.09 0.21 -0.04 1.46 1.56 3kt6A1 LYS 367 HD2 -0.32 -0.01 0.09 -0.04 1.69 1.40 3kt6A1 LYS 367 HD3 0.01 -0.03 0.05 -0.04 1.68 1.67 3kt6A1 LYS 367 HE2 -0.01 0.00 0.04 -0.04 2.99 2.99 3kt6A1 LYS 367 HE3 -0.08 0.01 0.08 -0.04 2.99 2.96 3kt6A1 SER 368 H -0.10 0.27 -0.28 -0.55 8.46 7.80 3kt6A1 SER 368 HA -0.12 0.20 0.68 -0.75 4.49 4.50 3kt6A1 SER 368 HB2 -0.06 -0.01 0.13 -0.04 3.95 3.97 3kt6A1 SER 368 HB3 -0.06 0.02 0.08 -0.04 3.93 3.93 3kt6A1 GLY 369 H -0.25 0.21 -0.36 -0.55 8.43 7.49 3kt6A1 GLY 369 HA2 -0.66 -0.03 0.29 -0.51 4.01 3.09 3kt6A1 GLY 369 HA3 -0.32 0.25 0.49 -0.51 4.01 3.92 3kt6A1 GLU 370 H -0.07 0.22 -0.14 -0.55 8.60 8.06 3kt6A1 GLU 370 HA -0.01 0.08 0.50 -0.75 4.29 4.11 3kt6A1 GLU 370 HB2 -0.01 -0.04 0.10 -0.04 2.09 2.10 3kt6A1 GLU 370 HB3 -0.00 -0.06 0.02 -0.04 1.99 1.91 3kt6A1 GLU 370 HG2 -0.03 0.00 -0.03 -0.04 2.34 2.25 3kt6A1 GLU 370 HG3 -0.05 0.10 -0.11 -0.04 2.34 2.24 3kt6A1 LEU 371 H 0.05 0.53 -0.16 -0.55 8.37 8.24 3kt6A1 LEU 371 HA 0.07 0.08 0.73 -0.75 4.35 4.48 3kt6A1 LEU 371 HB2 0.08 -0.05 -0.22 -0.04 1.64 1.40 3kt6A1 LEU 371 HB3 0.30 -0.03 -0.17 -0.04 1.64 1.70 3kt6A1 LEU 371 HG 0.02 0.02 -0.08 -0.04 1.64 1.56 3kt6A1 LEU 371 HD13 -0.00 0.01 -0.08 -0.04 0.93 0.81 3kt6A1 LEU 371 HD23 0.06 0.03 -0.11 -0.04 0.89 0.83 3kt6A1 LEU 372 H 0.06 0.11 0.05 -0.55 8.37 8.05 3kt6A1 LEU 372 HA -0.21 0.25 0.60 -0.75 4.35 4.23 3kt6A1 LEU 372 HB2 -0.02 -0.11 0.07 -0.04 1.64 1.53 3kt6A1 LEU 372 HB3 -0.12 -0.07 0.07 -0.04 1.64 1.48 3kt6A1 LEU 372 HG 0.02 0.11 -0.03 -0.04 1.64 1.71 3kt6A1 LEU 372 HD13 -0.02 -0.00 0.01 -0.04 0.93 0.88 3kt6A1 LEU 372 HD23 0.07 0.04 -0.07 -0.04 0.89 0.90 3kt6A1 SER 373 H -0.51 0.28 0.14 -0.55 8.46 7.82 3kt6A1 SER 373 HA 0.20 0.06 0.41 -0.75 4.49 4.40 3kt6A1 SER 373 HB2 -0.16 -0.03 0.10 -0.04 3.95 3.82 3kt6A1 SER 373 HB3 -0.17 0.11 0.11 -0.04 3.93 3.93 3kt6A1 GLY 374 H -0.09 0.16 -0.09 -0.55 8.43 7.87 3kt6A1 GLY 374 HA2 -0.04 0.14 0.38 -0.51 4.01 3.98 3kt6A1 GLY 374 HA3 -0.04 0.10 0.25 -0.51 4.01 3.81 3kt6A1 GLU 375 H -0.01 0.09 -0.48 -0.55 8.60 7.66 3kt6A1 GLU 375 HA 0.01 0.10 0.54 -0.75 4.29 4.19 3kt6A1 GLU 375 HB2 0.03 0.07 0.07 -0.04 2.09 2.22 3kt6A1 GLU 375 HB3 0.03 0.04 0.02 -0.04 1.99 2.04 3kt6A1 GLU 375 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 3kt6A1 GLU 375 HG3 -0.00 -0.11 -0.03 -0.04 2.34 2.16 3kt6A1 MET 376 H 0.02 0.59 -0.07 -0.55 8.47 8.46 3kt6A1 MET 376 HA -0.00 0.04 0.42 -0.75 4.52 4.23 3kt6A1 MET 376 HB2 -0.14 0.05 -0.00 -0.04 2.15 2.02 3kt6A1 MET 376 HB3 -0.09 0.13 0.14 -0.04 2.03 2.17 3kt6A1 MET 376 HG2 -0.44 -0.07 -0.11 -0.04 2.63 1.97 3kt6A1 MET 376 HG3 -0.10 -0.05 -0.34 -0.04 2.56 2.03 3kt6A1 MET 376 HE3 -0.70 0.02 -0.10 -0.04 2.10 1.27 3kt6A1 LYS 377 H -0.02 0.62 -0.15 -0.55 8.42 8.31 3kt6A1 LYS 377 HA -0.02 -0.02 0.32 -0.75 4.32 3.85 3kt6A1 LYS 377 HB2 -0.03 0.08 0.09 -0.04 1.87 1.97 3kt6A1 LYS 377 HB3 -0.02 -0.02 -0.11 -0.04 1.79 1.60 3kt6A1 LYS 377 HG2 -0.06 -0.10 -0.05 -0.04 1.46 1.22 3kt6A1 LYS 377 HG3 -0.05 0.10 -0.02 -0.04 1.46 1.44 3kt6A1 LYS 377 HD2 -0.05 -0.07 -0.07 -0.04 1.69 1.45 3kt6A1 LYS 377 HD3 -0.05 0.06 -0.19 -0.04 1.68 1.46 3kt6A1 LYS 377 HE2 -0.07 -0.11 -0.10 -0.04 2.99 2.66 3kt6A1 LYS 377 HE3 -0.08 -0.19 -0.11 -0.04 2.99 2.57 3kt6A1 LYS 378 H 0.01 0.40 -0.29 -0.55 8.42 7.99 3kt6A1 LYS 378 HA 0.02 0.00 0.40 -0.75 4.32 3.98 3kt6A1 LYS 378 HB2 0.01 0.08 0.15 -0.04 1.87 2.08 3kt6A1 LYS 378 HB3 0.03 0.10 0.16 -0.04 1.79 2.03 3kt6A1 LYS 378 HG2 0.03 -0.01 -0.16 -0.04 1.46 1.28 3kt6A1 LYS 378 HG3 0.02 -0.03 0.04 -0.04 1.46 1.44 3kt6A1 LYS 378 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 3kt6A1 LYS 378 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.65 3kt6A1 LYS 378 HE2 0.03 0.00 -0.05 -0.04 2.99 2.93 3kt6A1 LYS 378 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 3kt6A1 LEU 379 H 0.06 0.52 -0.25 -0.55 8.37 8.15 3kt6A1 LEU 379 HA 0.08 0.01 0.41 -0.75 4.35 4.10 3kt6A1 LEU 379 HB2 0.14 0.15 0.14 -0.04 1.64 2.03 3kt6A1 LEU 379 HB3 0.30 -0.04 -0.03 -0.04 1.64 1.82 3kt6A1 LEU 379 HG 0.11 0.06 0.03 -0.04 1.64 1.79 3kt6A1 LEU 379 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.93 3kt6A1 LEU 379 HD23 0.23 -0.01 -0.02 -0.04 0.89 1.05 3kt6A1 CYS 380 H 0.06 0.50 -0.15 -0.55 8.50 8.36 3kt6A1 CYS 380 HA 0.09 0.03 0.45 -0.75 4.58 4.39 3kt6A1 CYS 380 HB2 0.05 0.08 0.08 -0.04 2.97 3.14 3kt6A1 CYS 380 HB3 0.03 0.11 0.16 -0.04 2.97 3.23 3kt6A1 ILE 381 H 0.03 0.69 -0.11 -0.55 8.25 8.31 3kt6A1 ILE 381 HA 0.03 -0.04 0.32 -0.75 4.18 3.74 3kt6A1 ILE 381 HB 0.02 0.15 0.15 -0.04 1.89 2.17 3kt6A1 ILE 381 HG12 0.02 -0.06 -0.07 -0.04 1.49 1.34 3kt6A1 ILE 381 HG13 0.02 0.08 0.03 -0.04 1.21 1.30 3kt6A1 ILE 381 HG23 0.02 -0.03 -0.14 -0.04 0.93 0.74 3kt6A1 ILE 381 HD13 0.01 -0.03 -0.08 -0.04 0.88 0.74 3kt6A1 GLU 382 H 0.03 0.52 -0.15 -0.55 8.60 8.46 3kt6A1 GLU 382 HA 0.02 -0.01 0.39 -0.75 4.29 3.94 3kt6A1 GLU 382 HB2 0.02 0.13 0.14 -0.04 2.09 2.34 3kt6A1 GLU 382 HB3 0.01 -0.03 -0.00 -0.04 1.99 1.93 3kt6A1 GLU 382 HG2 0.02 -0.05 0.03 -0.04 2.34 2.30 3kt6A1 GLU 382 HG3 0.02 0.06 0.07 -0.04 2.34 2.45 3kt6A1 THR 383 H 0.02 0.44 -0.25 -0.55 8.28 7.95 3kt6A1 THR 383 HA 0.02 0.03 0.43 -0.75 4.39 4.11 3kt6A1 THR 383 HB 0.05 0.10 0.16 -0.04 4.32 4.58 3kt6A1 THR 383 HG23 0.09 -0.02 -0.20 -0.04 1.22 1.04 3kt6A1 LEU 384 H 0.00 0.66 -0.01 -0.55 8.37 8.47 3kt6A1 LEU 384 HA -0.18 0.04 0.42 -0.75 4.35 3.87 3kt6A1 LEU 384 HB2 -0.03 0.05 0.07 -0.04 1.64 1.69 3kt6A1 LEU 384 HB3 -0.14 -0.08 -0.02 -0.04 1.64 1.36 3kt6A1 LEU 384 HG -0.01 0.22 -0.01 -0.04 1.64 1.80 3kt6A1 LEU 384 HD13 0.08 -0.03 -0.09 -0.04 0.93 0.84 3kt6A1 LEU 384 HD23 -0.50 -0.01 -0.07 -0.04 0.89 0.26 3kt6A1 GLN 385 H 0.01 0.68 -0.14 -0.55 8.47 8.48 3kt6A1 GLN 385 HA 0.03 -0.02 0.40 -0.75 4.36 4.01 3kt6A1 GLN 385 HB2 0.02 0.17 0.15 -0.04 2.15 2.46 3kt6A1 GLN 385 HB3 0.03 -0.05 -0.02 -0.04 2.02 1.93 3kt6A1 GLN 385 HG2 0.02 -0.12 0.08 -0.04 2.40 2.35 3kt6A1 GLN 385 HG3 0.02 0.04 0.05 -0.04 2.39 2.46 3kt6A1 GLN 385 HE21 0.02 -0.04 -0.07 -0.04 6.97 6.84 3kt6A1 GLN 385 HE22 0.02 0.23 0.08 -0.04 7.69 7.98 3kt6A1 GLU 386 H 0.05 0.47 -0.22 -0.55 8.60 8.35 3kt6A1 GLU 386 HA 0.04 0.00 0.46 -0.75 4.29 4.03 3kt6A1 GLU 386 HB2 0.06 0.18 0.21 -0.04 2.09 2.50 3kt6A1 GLU 386 HB3 0.06 -0.02 0.01 -0.04 1.99 2.00 3kt6A1 GLU 386 HG2 0.02 -0.06 0.05 -0.04 2.34 2.32 3kt6A1 GLU 386 HG3 0.03 0.07 0.09 -0.04 2.34 2.48 3kt6A1 PHE 387 H 0.19 0.43 -0.11 -0.55 8.34 8.30 3kt6A1 PHE 387 HA 0.08 0.07 0.47 -0.75 4.62 4.48 3kt6A1 PHE 387 HB2 0.10 0.09 0.15 -0.04 3.15 3.44 3kt6A1 PHE 387 HB3 -0.11 0.03 0.19 -0.04 3.06 3.13 3kt6A1 PHE 387 HD2 0.06 0.01 -0.09 -0.04 7.28 7.21 3kt6A1 PHE 387 HE2 0.08 -0.02 -0.05 -0.04 7.38 7.35 3kt6A1 PHE 387 HZ 0.19 0.00 -0.05 -0.04 7.32 7.42 3kt6A1 VAL 388 H 0.16 0.65 -0.01 -0.55 8.24 8.49 3kt6A1 VAL 388 HA 0.06 0.01 0.36 -0.75 4.13 3.81 3kt6A1 VAL 388 HB 0.05 0.06 0.07 -0.04 2.12 2.27 3kt6A1 VAL 388 HG13 0.06 -0.00 -0.11 -0.04 0.97 0.88 3kt6A1 VAL 388 HG23 0.02 -0.01 -0.02 -0.04 0.95 0.90 3kt6A1 LYS 389 H 0.05 0.46 -0.35 -0.55 8.42 8.02 3kt6A1 LYS 389 HA 0.04 0.00 0.48 -0.75 4.32 4.09 3kt6A1 LYS 389 HB2 0.03 0.02 0.13 -0.04 1.87 2.01 3kt6A1 LYS 389 HB3 0.03 0.09 0.18 -0.04 1.79 2.05 3kt6A1 LYS 389 HG2 0.01 0.00 -0.17 -0.04 1.46 1.26 3kt6A1 LYS 389 HG3 0.02 -0.06 0.03 -0.04 1.46 1.41 3kt6A1 LYS 389 HD2 0.02 -0.07 -0.01 -0.04 1.69 1.59 3kt6A1 LYS 389 HD3 0.02 0.03 -0.01 -0.04 1.68 1.68 3kt6A1 LYS 389 HE2 0.01 0.04 -0.05 -0.04 2.99 2.95 3kt6A1 LYS 389 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.90 3kt6A1 ALA 390 H -0.01 0.57 -0.03 -0.55 8.40 8.39 3kt6A1 ALA 390 HA -0.02 -0.02 0.48 -0.75 4.34 4.02 3kt6A1 ALA 390 HB3 -0.06 0.03 0.15 -0.04 1.41 1.49 3kt6A1 PHE 391 H 0.01 0.42 -0.25 -0.55 8.34 7.97 3kt6A1 PHE 391 HA -0.15 0.19 0.45 -0.75 4.62 4.35 3kt6A1 PHE 391 HB2 -0.37 0.05 0.07 -0.04 3.15 2.87 3kt6A1 PHE 391 HB3 -0.12 0.12 0.18 -0.04 3.06 3.20 3kt6A1 PHE 391 HD2 -0.08 0.11 -0.14 -0.04 7.28 7.12 3kt6A1 PHE 391 HE2 -0.02 0.03 -0.09 -0.04 7.38 7.25 3kt6A1 PHE 391 HZ -0.04 -0.15 0.02 -0.04 7.32 7.12 3kt6A1 GLN 392 H 0.14 0.58 -0.02 -0.55 8.47 8.63 3kt6A1 GLN 392 HA -0.03 -0.01 0.39 -0.75 4.36 3.95 3kt6A1 GLN 392 HB2 0.05 0.06 0.17 -0.04 2.15 2.39 3kt6A1 GLN 392 HB3 0.04 -0.10 0.05 -0.04 2.02 1.97 3kt6A1 GLN 392 HG2 0.17 -0.04 0.10 -0.04 2.40 2.60 3kt6A1 GLN 392 HG3 0.23 0.21 0.17 -0.04 2.39 2.95 3kt6A1 GLN 392 HE21 0.07 0.21 -0.50 -0.04 6.97 6.72 3kt6A1 GLN 392 HE22 0.12 0.37 -0.15 -0.04 7.69 7.99 3kt6A1 GLU 393 H -0.03 0.49 -0.29 -0.55 8.60 8.22 3kt6A1 GLU 393 HA -0.03 -0.01 0.48 -0.75 4.29 3.97 3kt6A1 GLU 393 HB2 -0.03 0.16 0.16 -0.04 2.09 2.33 3kt6A1 GLU 393 HB3 -0.03 -0.04 -0.00 -0.04 1.99 1.87 3kt6A1 GLU 393 HG2 -0.01 -0.07 0.03 -0.04 2.34 2.24 3kt6A1 GLU 393 HG3 -0.01 0.03 0.05 -0.04 2.34 2.36 3kt6A1 ARG 394 H -0.13 0.46 -0.12 -0.55 8.46 8.12 3kt6A1 ARG 394 HA -0.08 0.02 0.53 -0.75 4.34 4.05 3kt6A1 ARG 394 HB2 -0.22 0.20 0.24 -0.04 1.90 2.09 3kt6A1 ARG 394 HB3 -0.15 -0.04 0.03 -0.04 1.80 1.60 3kt6A1 ARG 394 HG2 -0.06 -0.10 0.03 -0.04 1.67 1.49 3kt6A1 ARG 394 HG3 -0.08 0.07 0.09 -0.04 1.67 1.71 3kt6A1 ARG 394 HD2 -0.06 -0.04 -0.04 -0.04 3.22 3.04 3kt6A1 ARG 394 HD3 -0.05 -0.09 -0.01 -0.04 3.22 3.02 3kt6A1 ARG 395 H -0.30 0.57 -0.05 -0.55 8.46 8.13 3kt6A1 ARG 395 HA -0.23 0.05 0.39 -0.75 4.34 3.80 3kt6A1 ARG 395 HB2 -0.60 0.12 0.08 -0.04 1.90 1.46 3kt6A1 ARG 395 HB3 -0.18 0.03 0.07 -0.04 1.80 1.67 3kt6A1 ARG 395 HG2 -0.13 -0.03 -0.06 -0.04 1.67 1.42 3kt6A1 ARG 395 HG3 -0.25 0.05 -0.17 -0.04 1.67 1.26 3kt6A1 ARG 395 HD2 -0.00 0.01 -0.08 -0.04 3.22 3.10 3kt6A1 ARG 395 HD3 -0.03 -0.01 -0.09 -0.04 3.22 3.05 3kt6A1 ALA 396 H -0.09 0.53 -0.18 -0.55 8.40 8.11 3kt6A1 ALA 396 HA -0.04 -0.01 0.32 -0.75 4.34 3.86 3kt6A1 ALA 396 HB3 -0.03 0.00 0.11 -0.04 1.41 1.45 3kt6A1 GLN 397 H -0.06 0.31 -0.78 -0.55 8.47 7.39 3kt6A1 GLN 397 HA -0.02 0.07 0.70 -0.75 4.36 4.35 3kt6A1 GLN 397 HB2 -0.04 0.22 0.08 -0.04 2.15 2.37 3kt6A1 GLN 397 HB3 -0.02 -0.11 0.10 -0.04 2.02 1.95 3kt6A1 GLN 397 HG2 -0.03 0.19 -0.02 -0.04 2.40 2.50 3kt6A1 GLN 397 HG3 -0.02 -0.05 0.02 -0.04 2.39 2.29 3kt6A1 GLN 397 HE21 -0.01 -0.06 0.02 -0.04 6.97 6.88 3kt6A1 GLN 397 HE22 -0.01 -0.01 0.04 -0.04 7.69 7.67 3kt6A1 VAL 398 H -0.06 0.54 -0.17 -0.55 8.24 8.00 3kt6A1 VAL 398 HA -0.01 -0.02 0.58 -0.75 4.13 3.93 3kt6A1 VAL 398 HB -0.07 0.09 0.23 -0.04 2.12 2.33 3kt6A1 VAL 398 HG13 -0.04 -0.04 -0.10 -0.04 0.97 0.76 3kt6A1 VAL 398 HG23 -0.09 0.06 0.02 -0.04 0.95 0.89 3kt6A1 ASP 399 H 0.01 0.12 0.24 -0.55 8.40 8.23 3kt6A1 ASP 399 HA 0.00 0.25 0.77 -0.75 4.63 4.90 3kt6A1 ASP 399 HB2 0.01 -0.15 0.20 -0.04 2.71 2.73 3kt6A1 ASP 399 HB3 0.00 0.17 0.06 -0.04 2.70 2.89 3kt6A1 GLU 400 H 0.01 0.18 0.16 -0.55 8.60 8.41 3kt6A1 GLU 400 HA 0.02 0.12 0.43 -0.75 4.29 4.11 3kt6A1 GLU 400 HB2 0.02 -0.02 0.15 -0.04 2.09 2.20 3kt6A1 GLU 400 HB3 0.02 0.04 0.02 -0.04 1.99 2.04 3kt6A1 GLU 400 HG2 0.01 0.01 0.09 -0.04 2.34 2.41 3kt6A1 GLU 400 HG3 0.01 0.02 0.05 -0.04 2.34 2.39 3kt6A1 GLU 401 H 0.02 0.08 -0.09 -0.55 8.60 8.07 3kt6A1 GLU 401 HA 0.02 0.09 0.39 -0.75 4.29 4.05 3kt6A1 GLU 401 HB2 0.01 -0.01 0.10 -0.04 2.09 2.15 3kt6A1 GLU 401 HB3 0.02 -0.01 0.05 -0.04 1.99 2.01 3kt6A1 GLU 401 HG2 0.01 0.05 -0.14 -0.04 2.34 2.22 3kt6A1 GLU 401 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 3kt6A1 THR 402 H 0.04 0.06 -0.27 -0.55 8.28 7.56 3kt6A1 THR 402 HA 0.08 0.10 0.46 -0.75 4.39 4.28 3kt6A1 THR 402 HB 0.07 0.08 0.11 -0.04 4.32 4.54 3kt6A1 THR 402 HG23 0.21 0.03 -0.06 -0.04 1.22 1.36 3kt6A1 LEU 403 H 0.06 0.40 -0.14 -0.55 8.37 8.15 3kt6A1 LEU 403 HA 0.10 0.06 0.36 -0.75 4.35 4.12 3kt6A1 LEU 403 HB2 0.03 0.06 0.16 -0.04 1.64 1.85 3kt6A1 LEU 403 HB3 0.05 -0.01 0.01 -0.04 1.64 1.65 3kt6A1 LEU 403 HG -0.01 0.04 -0.04 -0.04 1.64 1.58 3kt6A1 LEU 403 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.88 3kt6A1 LEU 403 HD23 -0.01 0.00 -0.03 -0.04 0.89 0.80 3kt6A1 ASP 404 H 0.07 0.51 -0.14 -0.55 8.40 8.29 3kt6A1 ASP 404 HA 0.09 -0.05 0.45 -0.75 4.63 4.37 3kt6A1 ASP 404 HB2 0.04 0.11 0.13 -0.04 2.71 2.95 3kt6A1 ASP 404 HB3 0.05 -0.01 0.05 -0.04 2.70 2.76 3kt6A1 LYS 405 H 0.05 0.33 -0.25 -0.55 8.42 8.00 3kt6A1 LYS 405 HA -0.14 0.03 0.45 -0.75 4.32 3.91 3kt6A1 LYS 405 HB2 -0.04 0.17 0.17 -0.04 1.87 2.14 3kt6A1 LYS 405 HB3 -0.26 -0.03 0.05 -0.04 1.79 1.51 3kt6A1 LYS 405 HG2 -0.09 -0.03 0.05 -0.04 1.46 1.36 3kt6A1 LYS 405 HG3 -0.02 0.17 0.09 -0.04 1.46 1.66 3kt6A1 LYS 405 HD2 -0.04 -0.01 0.03 -0.04 1.69 1.63 3kt6A1 LYS 405 HD3 -0.10 -0.00 0.02 -0.04 1.68 1.56 3kt6A1 LYS 405 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.89 3kt6A1 LYS 405 HE3 -0.01 -0.07 -0.11 -0.04 2.99 2.77 3kt6A1 PHE 406 H 0.25 0.25 -0.40 -0.55 8.34 7.89 3kt6A1 PHE 406 HA 0.14 0.25 0.77 -0.75 4.62 5.03 3kt6A1 PHE 406 HB2 0.03 0.13 0.17 -0.04 3.15 3.43 3kt6A1 PHE 406 HB3 0.04 -0.14 -0.02 -0.04 3.06 2.89 3kt6A1 PHE 406 HD2 0.04 0.14 -0.10 -0.04 7.28 7.32 3kt6A1 PHE 406 HE2 0.09 -0.05 -0.27 -0.04 7.38 7.10 3kt6A1 PHE 406 HZ 0.11 0.33 -0.29 -0.04 7.32 7.43 3kt6A1 MET 407 H 0.20 0.13 0.08 -0.55 8.47 8.33 3kt6A1 MET 407 HA 0.11 0.48 0.70 -0.75 4.52 5.05 3kt6A1 MET 407 HB2 0.12 -0.08 0.08 -0.04 2.15 2.22 3kt6A1 MET 407 HB3 0.10 -0.17 0.06 -0.04 2.03 1.98 3kt6A1 MET 407 HG2 0.03 0.18 -0.09 -0.04 2.63 2.70 3kt6A1 MET 407 HG3 0.10 0.17 0.04 -0.04 2.56 2.82 3kt6A1 MET 407 HE3 -0.00 -0.04 -0.15 -0.04 2.10 1.86 3kt6A1 VAL 408 H 0.17 0.33 0.17 -0.55 8.24 8.36 3kt6A1 VAL 408 HA 0.22 -0.02 0.63 -0.75 4.13 4.21 3kt6A1 VAL 408 HB 0.10 0.23 0.14 -0.04 2.12 2.54 3kt6A1 VAL 408 HG13 0.10 0.01 -0.11 -0.04 0.97 0.93 3kt6A1 VAL 408 HG23 0.09 -0.07 0.08 -0.04 0.95 1.01 3kt6A1 PRO 409 HA -0.26 0.09 0.34 -0.51 4.44 4.09 3kt6A1 PRO 409 HB2 0.03 -0.04 -0.01 -0.04 2.28 2.22 3kt6A1 PRO 409 HB3 -0.12 -0.03 0.01 -0.04 2.02 1.83 3kt6A1 PRO 409 HG2 0.24 -0.04 0.08 -0.04 2.03 2.26 3kt6A1 PRO 409 HG3 0.40 0.07 0.08 -0.04 2.03 2.54 3kt6A1 PRO 409 HD2 0.16 0.01 0.19 -0.04 3.68 4.00 3kt6A1 PRO 409 HD3 0.28 0.13 0.31 -0.04 3.65 4.32 3kt6A1 HIS 410 H -0.49 0.28 0.19 -0.55 8.41 7.84 3kt6A1 HIS 410 HA -0.05 -0.00 0.63 -0.75 4.63 4.45 3kt6A1 HIS 410 HB2 -0.03 -0.05 0.02 -0.04 3.26 3.16 3kt6A1 HIS 410 HB3 -0.01 0.04 -0.18 -0.04 3.20 3.01 3kt6A1 HIS 410 HD2 -0.04 -0.02 -0.21 -0.04 6.97 6.66 3kt6A1 HIS 410 HE1 0.23 0.04 0.19 -0.04 7.75 8.17 3kt6A1 LYS 411 H 0.02 0.01 0.14 -0.55 8.42 8.04 3kt6A1 LYS 411 HA -0.08 0.19 0.59 -0.75 4.32 4.26 3kt6A1 LYS 411 HB2 -0.02 -0.08 0.12 -0.04 1.87 1.85 3kt6A1 LYS 411 HB3 -0.00 -0.10 0.14 -0.04 1.79 1.79 3kt6A1 LYS 411 HG2 -0.02 -0.13 -0.05 -0.04 1.46 1.22 3kt6A1 LYS 411 HG3 0.01 0.25 -0.17 -0.04 1.46 1.51 3kt6A1 LYS 411 HD2 -0.02 0.07 -0.46 -0.04 1.69 1.24 3kt6A1 LYS 411 HD3 -0.02 -0.14 -0.10 -0.04 1.68 1.38 3kt6A1 LYS 411 HE2 0.06 0.26 -0.23 -0.04 2.99 3.05 3kt6A1 LYS 411 HE3 0.02 -0.08 -0.33 -0.04 2.99 2.56 3kt6A1 LEU 412 H -0.05 0.62 0.38 -0.55 8.37 8.77 3kt6A1 LEU 412 HA 0.07 0.23 0.58 -0.75 4.35 4.47 3kt6A1 LEU 412 HB2 0.10 -0.01 0.13 -0.04 1.64 1.82 3kt6A1 LEU 412 HB3 0.11 -0.07 0.06 -0.04 1.64 1.70 3kt6A1 LEU 412 HG -0.26 0.09 0.04 -0.04 1.64 1.47 3kt6A1 LEU 412 HD13 -0.15 -0.03 -0.19 -0.04 0.93 0.52 3kt6A1 LEU 412 HD23 -0.22 -0.04 -0.32 -0.04 0.89 0.26 3kt6A1 VAL 413 H 0.15 0.64 0.36 -0.55 8.24 8.85 3kt6A1 VAL 413 HA -0.07 0.14 0.91 -0.75 4.13 4.35 3kt6A1 VAL 413 HB 0.03 -0.05 0.13 -0.04 2.12 2.19 3kt6A1 VAL 413 HG13 -0.08 -0.03 -0.08 -0.04 0.97 0.75 3kt6A1 VAL 413 HG23 -0.02 0.04 -0.06 -0.04 0.95 0.86 3kt6A1 TRP 414 H -0.42 0.26 0.16 -0.55 7.97 7.42 3kt6A1 TRP 414 HA -0.02 0.06 0.60 -0.75 4.62 4.51 3kt6A1 TRP 414 HB2 -0.04 0.09 -0.08 -0.04 3.23 3.16 3kt6A1 TRP 414 HB3 -0.04 0.02 -0.37 -0.04 3.23 2.80 3kt6A1 TRP 414 HD1 -0.07 0.23 0.14 -0.04 7.22 7.48 3kt6A1 TRP 414 HE1 -0.07 -0.02 0.03 -0.04 10.20 10.09 3kt6A1 TRP 414 HE3 -0.06 -0.14 -0.52 -0.04 7.59 6.82 3kt6A1 TRP 414 HZ2 -0.05 -0.05 -0.02 -0.04 7.44 7.29 3kt6A1 TRP 414 HZ3 -0.09 0.20 0.06 -0.04 7.13 7.25 3kt6A1 TRP 414 HH2 -0.07 0.19 -0.01 -0.04 7.19 7.25 3kt6A1 GLY 415 H 0.30 0.38 0.21 -0.55 8.43 8.77 3kt6A1 GLY 415 HA2 0.13 0.16 0.44 -0.51 4.01 4.22 3kt6A1 GLY 415 HA3 -0.04 0.07 0.37 -0.51 4.01 3.90 3kt6A1 GLU 416 H 0.01 0.01 -0.38 -0.55 8.60 7.69 3kt6A1 GLU 416 HA -0.05 0.19 0.56 -0.75 4.29 4.24 3kt6A1 GLU 416 HB2 -0.02 -0.03 -0.08 -0.04 2.09 1.91 3kt6A1 GLU 416 HB3 -0.03 -0.07 0.06 -0.04 1.99 1.91 3kt6A1 GLU 416 HG2 -0.09 -0.00 -0.02 -0.04 2.34 2.18 3kt6A1 GLU 416 HG3 -0.13 0.25 -0.11 -0.04 2.34 2.32 3kt6A1 LYS 417 H 0.03 0.10 -0.19 -0.55 8.42 7.80 3kt6A1 LYS 417 HA 0.00 0.18 1.03 -0.75 4.32 4.78 3kt6A1 LYS 417 HB2 0.01 -0.02 0.06 -0.04 1.87 1.88 3kt6A1 LYS 417 HB3 0.02 -0.05 -0.06 -0.04 1.79 1.66 3kt6A1 LYS 417 HG2 0.04 -0.08 0.01 -0.04 1.46 1.39 3kt6A1 LYS 417 HG3 0.03 0.14 -0.19 -0.04 1.46 1.40 3kt6A1 LYS 417 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 3kt6A1 LYS 417 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 3kt6A1 LYS 417 HE2 0.03 -0.05 0.06 -0.04 2.99 2.98 3kt6A1 LYS 417 HE3 0.00 0.15 0.02 -0.04 2.99 3.11 3kt6A1 GLU 418 H 0.01 0.05 0.11 -0.55 8.60 8.22 3kt6A1 GLU 418 HA 0.00 0.00 0.29 -0.75 4.29 3.84 3kt6A1 GLU 418 HB2 0.01 -0.01 0.09 -0.04 2.09 2.14 3kt6A1 GLU 418 HB3 0.00 0.06 0.05 -0.04 1.99 2.06 3kt6A1 GLU 418 HG2 0.00 -0.03 0.05 -0.04 2.34 2.32 3kt6A1 GLU 418 HG3 -0.00 0.03 0.06 -0.04 2.34 2.39 3kt6A1 ARG 419 H 0.01 0.06 0.17 -0.55 8.46 8.15 3kt6A1 ARG 419 HA 0.06 0.14 0.57 -0.75 4.34 4.36 3kt6A1 ARG 419 HB2 -0.01 -0.11 0.05 -0.04 1.90 1.80 3kt6A1 ARG 419 HB3 0.01 0.05 -0.10 -0.04 1.80 1.71 3kt6A1 ARG 419 HG2 0.05 0.06 0.11 -0.04 1.67 1.85 3kt6A1 ARG 419 HG3 0.01 0.04 0.08 -0.04 1.67 1.76 3kt6A1 ARG 419 HD2 -0.07 -0.09 0.08 -0.04 3.22 3.09 3kt6A1 ARG 419 HD3 -0.10 0.12 0.08 -0.04 3.22 3.28 3kt6A1 LEU 420 H 0.06 0.26 0.22 -0.55 8.37 8.36 3kt6A1 LEU 420 HA 0.02 0.07 0.72 -0.75 4.35 4.40 3kt6A1 LEU 420 HB2 0.02 0.08 0.19 -0.04 1.64 1.89 3kt6A1 LEU 420 HB3 0.02 0.06 0.06 -0.04 1.64 1.74 3kt6A1 LEU 420 HG 0.01 -0.07 0.09 -0.04 1.64 1.64 3kt6A1 LEU 420 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.87 3kt6A1 LEU 420 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 3kt6A1 VAL 421 H 0.04 0.19 0.04 -0.55 8.24 7.97 3kt6A1 VAL 421 HA 0.00 0.02 0.65 -0.75 4.13 4.05 3kt6A1 VAL 421 HB 0.01 -0.06 0.04 -0.04 2.12 2.07 3kt6A1 VAL 421 HG13 0.05 0.04 -0.38 -0.04 0.97 0.63 3kt6A1 VAL 421 HG23 0.00 0.02 -0.11 -0.04 0.95 0.82 3kt6A1 ALA 422 H -0.01 0.03 0.06 -0.55 8.40 7.93 3kt6A1 ALA 422 HA -0.04 0.08 0.39 -0.75 4.34 4.01 3kt6A1 ALA 422 HB3 -0.02 -0.02 0.08 -0.04 1.41 1.41 3kt6A1 PRO 423 HA -0.10 0.31 0.42 -0.51 4.44 4.56 3kt6A1 PRO 423 HB2 -0.05 -0.08 -0.05 -0.04 2.28 2.06 3kt6A1 PRO 423 HB3 -0.08 0.08 -0.27 -0.04 2.02 1.72 3kt6A1 PRO 423 HG2 -0.06 -0.02 0.10 -0.04 2.03 2.01 3kt6A1 PRO 423 HG3 -0.11 0.12 0.12 -0.04 2.03 2.11 3kt6A1 PRO 423 HD2 -0.05 -0.00 0.20 -0.04 3.68 3.79 3kt6A1 PRO 423 HD3 -0.07 0.10 0.25 -0.04 3.65 3.89 3kt6A1 LYS 424 H -0.05 0.76 0.34 -0.55 8.42 8.92 3kt6A1 LYS 424 HA -0.02 0.09 0.85 -0.75 4.32 4.48 3kt6A1 LYS 424 HB2 -0.02 0.04 0.17 -0.04 1.87 2.02 3kt6A1 LYS 424 HB3 -0.01 -0.12 0.10 -0.04 1.79 1.72 3kt6A1 LYS 424 HG2 -0.01 -0.06 -0.05 -0.04 1.46 1.29 3kt6A1 LYS 424 HG3 -0.02 0.25 -0.24 -0.04 1.46 1.41 3kt6A1 LYS 424 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.66 3kt6A1 LYS 424 HD3 -0.01 -0.11 0.00 -0.04 1.68 1.52 3kt6A1 LYS 424 HE2 -0.01 -0.07 -0.02 -0.04 2.99 2.86 3kt6A1 LYS 424 HE3 -0.01 0.17 -0.02 -0.04 2.99 3.09 3kt6A1 PRO 425 HA -0.01 0.16 0.43 -0.51 4.44 4.51 3kt6A1 PRO 425 HB2 -0.01 -0.05 0.07 -0.04 2.28 2.26 3kt6A1 PRO 425 HB3 -0.01 0.21 0.07 -0.04 2.02 2.24 3kt6A1 PRO 425 HG2 -0.01 -0.05 0.03 -0.04 2.03 1.96 3kt6A1 PRO 425 HG3 -0.02 0.08 -0.00 -0.04 2.03 2.05 3kt6A1 PRO 425 HD2 -0.02 0.06 0.04 -0.04 3.68 3.72 3kt6A1 PRO 425 HD3 -0.03 0.19 -0.37 -0.04 3.65 3.40