============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 5 0.900 -29.291 109.336 7.304 -99.200 -91.000 TYR 10 0.840 -33.029 112.182 12.040 -99.200 -91.000 PHE 14 1.000 -33.134 119.426 13.778 -99.200 -91.000 HIS 27 0.900 -7.085 114.792 16.916 -99.200 -91.000 TRP 35 1.040 -3.983 126.908 0.112 -99.200 -91.000 TRP6 35 1.020 -6.320 127.249 0.078 -99.200 -91.000 PHE 48 1.000 -32.413 124.118 18.811 -99.200 -91.000 PHE 55 1.000 -37.521 129.812 21.501 -99.200 -91.000 TYR 56 0.840 -44.714 125.042 20.336 -99.200 -91.000 HIS 57 0.900 -40.584 126.558 11.364 -99.200 -91.000 PHE 59 1.000 -36.436 128.148 8.951 -99.200 -91.000 HIS 66 0.900 -22.372 127.542 15.949 -99.200 -91.000 PHE 68 1.000 -15.555 124.814 13.497 -99.200 -91.000 PHE 70 1.000 -10.443 126.790 9.190 -99.200 -91.000 HIS 74 0.900 -1.063 124.525 14.624 -99.200 -91.000 TYR 77 0.840 -17.235 125.339 17.845 -99.200 -91.000 HIS 78 0.900 -15.601 131.762 21.754 -99.200 -91.000 PHE 81 1.000 -26.956 130.388 23.028 -99.200 -91.000 TYR 87 0.840 -29.197 134.512 24.961 -99.200 -91.000 PHE 101 1.000 -41.515 131.193 10.022 -99.200 -91.000 TYR 116 0.840 -25.869 141.547 5.840 -99.200 -91.000 TYR 122 0.840 -17.267 140.835 8.923 -99.200 -91.000 TYR 123 0.840 -24.308 145.719 10.790 -99.200 -91.000 PHE 130 1.000 -35.901 145.724 15.483 -99.200 -91.000 TYR 150 0.840 -29.802 153.933 9.759 -99.200 -91.000 HIS 159 0.900 -29.856 133.674 1.907 -99.200 -91.000 HIS 161 0.900 -26.774 138.416 -4.812 -99.200 -91.000 TYR 169 0.840 -27.038 146.800 -5.534 -99.200 -91.000 PHE 175 1.000 -46.939 149.157 4.728 -99.200 -91.000 TYR 180 0.840 -42.560 141.989 -3.615 -99.200 -91.000 PHE 205 1.000 -37.608 144.014 -8.867 -99.200 -91.000 PHE 211 1.000 -55.381 146.055 -0.060 -99.200 -91.000 TYR 215 0.840 -40.162 133.651 3.135 -99.200 -91.000 HIS 217 0.900 -34.380 132.308 2.650 -99.200 -91.000 PHE 219 1.000 -31.263 140.629 -4.048 -99.200 -91.000 TYR 225 0.840 -30.135 143.531 -17.414 -99.200 -91.000 PHE 228 1.000 -39.641 139.805 -6.150 -99.200 -91.000 TYR 240 0.840 -42.868 137.273 13.019 -99.200 -91.000 PHE 244 1.000 -45.043 133.184 5.829 -99.200 -91.000 TRP 253 1.040 -47.307 136.534 -11.572 -99.200 -91.000 TRP6 253 1.020 -48.504 138.575 -11.460 -99.200 -91.000 HIS 255 0.900 -42.119 140.781 -10.993 -99.200 -91.000 TYR 264 0.840 -41.005 145.866 -13.025 -99.200 -91.000 TYR 269 0.840 -39.026 138.067 -18.207 -99.200 -91.000 PHE 274 1.000 -40.221 128.384 -9.238 -99.200 -91.000 PHE 277 1.000 -38.116 128.170 0.777 -99.200 -91.000 HIS 278 0.900 -31.336 128.917 0.360 -99.200 -91.000 HIS 279 0.900 -32.827 134.152 -7.293 -99.200 -91.000 TYR 283 0.840 -24.482 132.632 -16.835 -99.200 -91.000 HIS 286 0.900 -25.053 135.012 -26.871 -99.200 -91.000 PHE 288 1.000 -31.813 134.959 -25.170 -99.200 -91.000 TRP 296 1.040 -37.669 123.377 -1.807 -99.200 -91.000 TRP6 296 1.020 -37.402 121.233 -0.841 -99.200 -91.000 PHE 299 1.000 -51.099 125.458 -4.793 -99.200 -91.000 PHE 301 1.000 -43.570 129.277 3.876 -99.200 -91.000 TYR 303 0.840 -39.278 128.677 5.363 -99.200 -91.000 TYR 305 0.840 -44.432 119.317 4.214 -99.200 -91.000 TYR 307 0.840 -44.577 124.156 12.693 -99.200 -91.000 TRP 315 1.040 -34.786 107.109 7.780 -99.200 -91.000 TRP6 315 1.020 -34.419 109.278 6.882 -99.200 -91.000 TYR 333 0.840 -37.662 128.501 -14.337 -99.200 -91.000 TRP 367 1.040 -45.464 128.604 -19.627 -99.200 -91.000 TRP6 367 1.020 -46.653 128.916 -17.616 -99.200 -91.000 PHE 374 1.000 -29.352 116.925 -7.468 -99.200 -91.000 PHE 381 1.000 -26.624 121.589 -5.432 -99.200 -91.000 PHE 383 1.000 -29.647 125.265 3.895 -99.200 -91.000 TYR 388 0.840 -21.478 136.564 -4.102 -99.200 -91.000 TYR 391 0.840 -15.443 131.896 -11.816 -99.200 -91.000 TYR 396 0.840 -23.010 129.162 -12.053 -99.200 -91.000 TYR 398 0.840 -16.756 123.238 -12.029 -99.200 -91.000 TYR 400 0.840 -18.190 123.943 -4.869 -99.200 -91.000 HIS 406 0.900 -37.217 110.882 2.335 -99.200 -91.000 PHE 407 1.000 -38.689 118.824 3.778 -99.200 -91.000 TRP 423 1.040 -17.112 115.364 -8.928 -99.200 -91.000 TRP6 423 1.020 -17.882 116.969 -10.502 -99.200 -91.000 TRP 425 1.040 -17.157 113.640 2.486 -99.200 -91.000 TRP6 425 1.020 -18.442 113.834 4.447 -99.200 -91.000 TYR 431 0.840 -27.311 112.747 10.553 -99.200 -91.000 PHE 437 1.000 -14.206 127.732 -4.200 -99.200 -91.000 HIS 440 0.900 -3.441 128.451 -3.871 -99.200 -91.000 TYR 466 0.840 -16.555 115.232 10.961 -99.200 -91.000 PHE 491 1.000 -31.158 127.665 10.127 -99.200 -91.000 HIS 492 0.900 -28.096 130.340 4.346 -99.200 -91.000 PHE 495 1.000 -11.864 131.217 5.380 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3kvcA1 SER 3 HA 0.01 -0.03 0.10 -0.75 4.49 3.81 3kvcA1 SER 3 HB2 0.02 -0.19 0.14 -0.04 3.95 3.88 3kvcA1 SER 3 HB3 0.01 -0.01 0.05 -0.04 3.93 3.94 3kvcA1 GLN 4 H 0.04 0.03 0.04 -0.55 8.47 8.04 3kvcA1 GLN 4 HA 0.09 0.01 0.30 -0.75 4.36 4.00 3kvcA1 GLN 4 HB2 0.10 -0.01 0.08 -0.04 2.15 2.28 3kvcA1 GLN 4 HB3 0.08 -0.05 0.09 -0.04 2.02 2.09 3kvcA1 GLN 4 HG2 0.16 -0.07 -0.10 -0.04 2.40 2.35 3kvcA1 GLN 4 HG3 0.20 0.06 -0.46 -0.04 2.39 2.15 3kvcA1 GLN 4 HE21 0.44 -0.05 -0.02 -0.04 6.97 7.30 3kvcA1 GLN 4 HE22 0.33 0.48 0.02 -0.04 7.69 8.48 3kvcA1 VAL 5 H 0.08 0.10 0.15 -0.55 8.24 8.02 3kvcA1 VAL 5 HA -0.07 0.10 0.76 -0.75 4.13 4.17 3kvcA1 VAL 5 HB 0.01 -0.03 0.08 -0.04 2.12 2.14 3kvcA1 VAL 5 HG13 -0.30 0.00 -0.08 -0.04 0.97 0.55 3kvcA1 VAL 5 HG23 -0.01 0.02 0.01 -0.04 0.95 0.93 3kvcA1 GLU 6 H -0.23 0.17 0.19 -0.55 8.60 8.19 3kvcA1 GLU 6 HA -0.19 0.18 0.79 -0.75 4.29 4.32 3kvcA1 GLU 6 HB2 -0.10 -0.01 0.04 -0.04 2.09 1.98 3kvcA1 GLU 6 HB3 0.06 -0.09 0.03 -0.04 1.99 1.95 3kvcA1 GLU 6 HG2 0.04 0.16 -0.11 -0.04 2.34 2.39 3kvcA1 GLU 6 HG3 0.08 -0.03 -0.04 -0.04 2.34 2.32 3kvcA1 HIS 7 H -2.03 0.13 0.05 -0.55 8.41 6.02 3kvcA1 HIS 7 HA -0.29 0.17 0.88 -0.75 4.63 4.65 3kvcA1 HIS 7 HB2 -1.19 0.06 0.12 -0.04 3.26 2.21 3kvcA1 HIS 7 HB3 -0.02 -0.11 0.17 -0.04 3.20 3.19 3kvcA1 HIS 7 HD2 -1.11 0.06 -0.13 -0.04 6.97 5.75 3kvcA1 HIS 7 HE1 -0.17 0.06 0.00 -0.04 7.75 7.59 3kvcA1 PRO 8 HA 0.23 -0.02 0.49 -0.51 4.44 4.63 3kvcA1 PRO 8 HB2 0.07 0.08 -0.01 -0.04 2.28 2.38 3kvcA1 PRO 8 HB3 0.13 0.01 0.11 -0.04 2.02 2.23 3kvcA1 PRO 8 HG2 0.00 0.04 0.05 -0.04 2.03 2.08 3kvcA1 PRO 8 HG3 0.02 0.08 0.02 -0.04 2.03 2.12 3kvcA1 PRO 8 HD2 -0.15 0.29 -0.17 -0.04 3.68 3.60 3kvcA1 PRO 8 HD3 -0.10 0.05 -0.09 -0.04 3.65 3.47 3kvcA1 ALA 9 H 0.03 0.10 -0.20 -0.55 8.40 7.79 3kvcA1 ALA 9 HA 0.02 0.10 0.45 -0.75 4.34 4.17 3kvcA1 ALA 9 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 3kvcA1 GLY 10 H 0.05 0.25 -0.23 -0.55 8.43 7.95 3kvcA1 GLY 10 HA2 -0.56 0.07 0.30 -0.51 4.01 3.32 3kvcA1 GLY 10 HA3 -0.22 0.13 0.32 -0.51 4.01 3.73 3kvcA1 GLY 11 H -0.02 0.02 -0.18 -0.55 8.43 7.71 3kvcA1 GLY 11 HA2 -0.08 0.07 0.28 -0.51 4.01 3.77 3kvcA1 GLY 11 HA3 0.16 0.14 0.25 -0.51 4.01 4.06 3kvcA1 TYR 12 H -0.77 0.02 -0.41 -0.55 8.29 6.58 3kvcA1 TYR 12 HA -0.87 0.11 0.33 -0.75 4.56 3.37 3kvcA1 TYR 12 HB2 -0.33 0.07 0.06 -0.04 3.06 2.82 3kvcA1 TYR 12 HB3 -1.20 0.03 0.04 -0.04 2.98 1.81 3kvcA1 TYR 12 HD2 -0.10 0.02 -0.10 -0.04 7.15 6.93 3kvcA1 TYR 12 HE2 0.15 0.16 0.03 -0.04 6.85 7.14 3kvcA1 LYS 13 H -0.54 0.44 -0.29 -0.55 8.42 7.47 3kvcA1 LYS 13 HA 0.15 0.09 0.35 -0.75 4.32 4.16 3kvcA1 LYS 13 HB2 -0.16 0.04 0.05 -0.04 1.87 1.75 3kvcA1 LYS 13 HB3 -0.04 -0.06 0.03 -0.04 1.79 1.68 3kvcA1 LYS 13 HG2 0.01 0.03 0.08 -0.04 1.46 1.53 3kvcA1 LYS 13 HG3 -0.48 0.00 0.09 -0.04 1.46 1.03 3kvcA1 LYS 13 HD2 -0.10 -0.07 0.03 -0.04 1.69 1.51 3kvcA1 LYS 13 HD3 -0.02 0.03 0.05 -0.04 1.68 1.70 3kvcA1 LYS 13 HE2 0.00 0.21 -0.28 -0.04 2.99 2.88 3kvcA1 LYS 13 HE3 -0.20 -0.07 0.03 -0.04 2.99 2.71 3kvcA1 LYS 14 H -0.20 0.44 -0.31 -0.55 8.42 7.79 3kvcA1 LYS 14 HA -0.11 0.01 0.44 -0.75 4.32 3.91 3kvcA1 LYS 14 HB2 -0.10 0.20 0.11 -0.04 1.87 2.03 3kvcA1 LYS 14 HB3 -0.07 -0.03 0.01 -0.04 1.79 1.66 3kvcA1 LYS 14 HG2 -0.08 -0.04 0.01 -0.04 1.46 1.31 3kvcA1 LYS 14 HG3 -0.04 -0.01 0.06 -0.04 1.46 1.42 3kvcA1 LYS 14 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 3kvcA1 LYS 14 HD3 -0.04 -0.00 -0.01 -0.04 1.68 1.59 3kvcA1 LYS 14 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.89 3kvcA1 LYS 14 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 3kvcA1 LEU 15 H -0.42 0.37 -0.23 -0.55 8.37 7.55 3kvcA1 LEU 15 HA -0.32 0.08 0.56 -0.75 4.35 3.92 3kvcA1 LEU 15 HB2 -1.69 0.16 0.07 -0.04 1.64 0.14 3kvcA1 LEU 15 HB3 -0.78 -0.12 0.11 -0.04 1.64 0.81 3kvcA1 LEU 15 HG -0.36 -0.04 0.13 -0.04 1.64 1.33 3kvcA1 LEU 15 HD13 -0.24 0.01 0.09 -0.04 0.93 0.75 3kvcA1 LEU 15 HD23 -0.17 0.02 0.02 -0.04 0.89 0.72 3kvcA1 PHE 16 H -0.42 0.44 -0.52 -0.55 8.34 7.28 3kvcA1 PHE 16 HA -0.74 0.14 0.76 -0.75 4.62 4.02 3kvcA1 PHE 16 HB2 -0.26 0.09 0.05 -0.04 3.15 2.98 3kvcA1 PHE 16 HB3 -0.44 -0.12 0.09 -0.04 3.06 2.56 3kvcA1 PHE 16 HD2 -0.05 0.03 -0.12 -0.04 7.28 7.10 3kvcA1 PHE 16 HE2 0.06 0.04 -0.10 -0.04 7.38 7.34 3kvcA1 PHE 16 HZ 0.02 0.03 -0.01 -0.04 7.32 7.31 3kvcA1 GLU 17 H -0.21 0.43 -0.31 -0.55 8.60 7.97 3kvcA1 GLU 17 HA -0.12 0.04 0.81 -0.75 4.29 4.27 3kvcA1 GLU 17 HB2 -0.07 0.02 -0.04 -0.04 2.09 1.97 3kvcA1 GLU 17 HB3 -0.03 0.11 0.06 -0.04 1.99 2.09 3kvcA1 GLU 17 HG2 0.05 0.20 -0.15 -0.04 2.34 2.40 3kvcA1 GLU 17 HG3 0.01 -0.09 0.02 -0.04 2.34 2.24 3kvcA1 THR 18 H 0.20 0.02 0.09 -0.55 8.28 8.05 3kvcA1 THR 18 HA 0.48 0.18 0.34 -0.75 4.39 4.63 3kvcA1 THR 18 HB 0.17 -0.01 0.11 -0.04 4.32 4.55 3kvcA1 THR 18 HG23 0.19 0.03 0.03 -0.04 1.22 1.43 3kvcA1 VAL 19 H 0.27 0.55 0.35 -0.55 8.24 8.86 3kvcA1 VAL 19 HA 0.12 0.11 0.70 -0.75 4.13 4.32 3kvcA1 VAL 19 HB 0.08 -0.00 0.10 -0.04 2.12 2.26 3kvcA1 VAL 19 HG13 0.10 0.06 -0.22 -0.04 0.97 0.87 3kvcA1 VAL 19 HG23 0.05 -0.00 -0.13 -0.04 0.95 0.83 3kvcA1 GLU 20 H 0.10 0.16 0.14 -0.55 8.60 8.45 3kvcA1 GLU 20 HA 0.22 0.06 0.80 -0.75 4.29 4.62 3kvcA1 GLU 20 HB2 0.07 -0.02 0.13 -0.04 2.09 2.23 3kvcA1 GLU 20 HB3 0.08 0.13 0.04 -0.04 1.99 2.19 3kvcA1 GLU 20 HG2 0.09 -0.00 0.02 -0.04 2.34 2.40 3kvcA1 GLU 20 HG3 0.08 -0.03 -0.08 -0.04 2.34 2.27 3kvcA1 GLU 21 H 0.25 0.04 0.11 -0.55 8.60 8.45 3kvcA1 GLU 21 HA -0.14 0.12 0.46 -0.75 4.29 3.98 3kvcA1 GLU 21 HB2 -0.13 0.21 0.23 -0.04 2.09 2.36 3kvcA1 GLU 21 HB3 0.07 -0.13 0.10 -0.04 1.99 1.99 3kvcA1 GLU 21 HG2 0.15 -0.08 0.04 -0.04 2.34 2.41 3kvcA1 GLU 21 HG3 0.04 0.12 -0.23 -0.04 2.34 2.23 3kvcA1 LEU 22 H -0.13 0.55 0.31 -0.55 8.37 8.55 3kvcA1 LEU 22 HA 0.01 0.12 0.86 -0.75 4.35 4.59 3kvcA1 LEU 22 HB2 0.09 -0.09 0.16 -0.04 1.64 1.75 3kvcA1 LEU 22 HB3 0.02 0.08 0.14 -0.04 1.64 1.84 3kvcA1 LEU 22 HG -0.07 0.02 -0.09 -0.04 1.64 1.46 3kvcA1 LEU 22 HD13 -0.12 -0.02 -0.02 -0.04 0.93 0.73 3kvcA1 LEU 22 HD23 0.01 0.01 -0.01 -0.04 0.89 0.87 3kvcA1 SER 23 H 0.01 0.11 0.18 -0.55 8.46 8.22 3kvcA1 SER 23 HA 0.04 0.13 0.72 -0.75 4.49 4.63 3kvcA1 SER 23 HB2 -0.00 -0.01 0.11 -0.04 3.95 4.01 3kvcA1 SER 23 HB3 0.01 -0.01 0.12 -0.04 3.93 4.00 3kvcA1 SER 24 H -0.06 0.16 0.05 -0.55 8.46 8.06 3kvcA1 SER 24 HA -0.46 0.17 0.52 -0.75 4.49 3.96 3kvcA1 SER 24 HB2 -0.19 0.02 0.13 -0.04 3.95 3.87 3kvcA1 SER 24 HB3 -0.11 -0.01 -0.24 -0.04 3.93 3.53 3kvcA1 PRO 25 HA -0.28 0.21 0.49 -0.51 4.44 4.36 3kvcA1 PRO 25 HB2 -0.16 -0.03 -0.06 -0.04 2.28 1.99 3kvcA1 PRO 25 HB3 -0.17 0.01 -0.08 -0.04 2.02 1.73 3kvcA1 PRO 25 HG2 -0.23 0.03 0.01 -0.04 2.03 1.80 3kvcA1 PRO 25 HG3 -0.48 0.08 -0.02 -0.04 2.03 1.56 3kvcA1 PRO 25 HD2 -0.27 0.07 0.17 -0.04 3.68 3.60 3kvcA1 PRO 25 HD3 -0.62 0.16 0.17 -0.04 3.65 3.32 3kvcA1 LEU 26 H -0.08 0.60 0.44 -0.55 8.37 8.79 3kvcA1 LEU 26 HA -0.03 0.10 0.84 -0.75 4.35 4.52 3kvcA1 LEU 26 HB2 -0.00 0.02 0.04 -0.04 1.64 1.66 3kvcA1 LEU 26 HB3 0.02 0.15 0.22 -0.04 1.64 1.99 3kvcA1 LEU 26 HG 0.04 0.00 0.03 -0.04 1.64 1.68 3kvcA1 LEU 26 HD13 0.10 -0.02 -0.00 -0.04 0.93 0.96 3kvcA1 LEU 26 HD23 0.11 -0.02 -0.46 -0.04 0.89 0.48 3kvcA1 THR 27 H 0.01 0.14 0.20 -0.55 8.28 8.08 3kvcA1 THR 27 HA 0.02 0.16 0.91 -0.75 4.39 4.72 3kvcA1 THR 27 HB 0.02 -0.05 0.20 -0.04 4.32 4.45 3kvcA1 THR 27 HG23 0.05 0.03 -0.03 -0.04 1.22 1.22 3kvcA1 ALA 28 H 0.05 0.64 0.41 -0.55 8.40 8.95 3kvcA1 ALA 28 HA 0.09 0.14 0.59 -0.75 4.34 4.41 3kvcA1 ALA 28 HB3 0.10 -0.03 -0.21 -0.04 1.41 1.23 3kvcA1 HIS 29 H 0.14 0.60 0.31 -0.55 8.41 8.92 3kvcA1 HIS 29 HA -0.00 0.12 0.86 -0.75 4.63 4.85 3kvcA1 HIS 29 HB2 0.00 0.02 0.09 -0.04 3.26 3.33 3kvcA1 HIS 29 HB3 -0.00 -0.02 0.21 -0.04 3.20 3.34 3kvcA1 HIS 29 HD2 -0.01 -0.02 0.03 -0.04 6.97 6.93 3kvcA1 HIS 29 HE1 -0.03 -0.05 -0.09 -0.04 7.75 7.53 3kvcA1 VAL 30 H -0.29 0.17 0.23 -0.55 8.24 7.80 3kvcA1 VAL 30 HA -0.18 0.22 0.78 -0.75 4.13 4.20 3kvcA1 VAL 30 HB -0.21 -0.03 0.20 -0.04 2.12 2.04 3kvcA1 VAL 30 HG13 -0.15 0.01 -0.22 -0.04 0.97 0.57 3kvcA1 VAL 30 HG23 -0.11 0.05 -0.00 -0.04 0.95 0.84 3kvcA1 THR 31 H -0.15 0.73 0.46 -0.55 8.28 8.77 3kvcA1 THR 31 HA -0.14 0.16 0.89 -0.75 4.39 4.54 3kvcA1 THR 31 HB -0.05 -0.05 0.08 -0.04 4.32 4.26 3kvcA1 THR 31 HG23 0.02 0.02 -0.07 -0.04 1.22 1.14 3kvcA1 GLY 32 H -0.07 0.08 0.15 -0.55 8.43 8.05 3kvcA1 GLY 32 HA2 -0.05 -0.00 0.35 -0.51 4.01 3.80 3kvcA1 GLY 32 HA3 -0.06 0.20 0.78 -0.51 4.01 4.42 3kvcA1 ARG 33 H -0.07 0.41 0.18 -0.55 8.46 8.43 3kvcA1 ARG 33 HA -0.10 0.18 0.86 -0.75 4.34 4.53 3kvcA1 ARG 33 HB2 -0.06 -0.01 -0.11 -0.04 1.90 1.68 3kvcA1 ARG 33 HB3 -0.06 -0.02 0.09 -0.04 1.80 1.77 3kvcA1 ARG 33 HG2 -0.08 0.03 -0.41 -0.04 1.67 1.17 3kvcA1 ARG 33 HG3 -0.07 0.05 -0.04 -0.04 1.67 1.57 3kvcA1 ARG 33 HD2 -0.03 -0.01 -0.04 -0.04 3.22 3.10 3kvcA1 ARG 33 HD3 -0.03 -0.05 -0.06 -0.04 3.22 3.04 3kvcA1 ILE 34 H -0.12 0.21 0.00 -0.55 8.25 7.80 3kvcA1 ILE 34 HA -0.18 0.10 0.51 -0.75 4.18 3.86 3kvcA1 ILE 34 HB -0.09 0.02 0.02 -0.04 1.89 1.80 3kvcA1 ILE 34 HG12 -0.06 -0.01 -0.19 -0.04 1.49 1.18 3kvcA1 ILE 34 HG13 -0.09 -0.02 -0.20 -0.04 1.21 0.86 3kvcA1 ILE 34 HG23 -0.09 0.03 -0.22 -0.04 0.93 0.61 3kvcA1 ILE 34 HD13 0.04 0.03 -0.25 -0.04 0.88 0.66 3kvcA1 PRO 35 HA -0.26 0.04 0.32 -0.51 4.44 4.03 3kvcA1 PRO 35 HB2 -1.69 -0.06 -0.01 -0.04 2.28 0.49 3kvcA1 PRO 35 HB3 -0.69 -0.00 0.05 -0.04 2.02 1.33 3kvcA1 PRO 35 HG2 -0.63 0.02 -0.01 -0.04 2.03 1.37 3kvcA1 PRO 35 HG3 -0.26 0.08 0.03 -0.04 2.03 1.84 3kvcA1 PRO 35 HD2 -0.46 0.08 0.10 -0.04 3.68 3.36 3kvcA1 PRO 35 HD3 -0.26 0.27 0.20 -0.04 3.65 3.81 3kvcA1 LEU 36 H -0.14 0.13 0.15 -0.55 8.37 7.96 3kvcA1 LEU 36 HA -0.10 0.13 0.31 -0.75 4.35 3.94 3kvcA1 LEU 36 HB2 0.03 -0.04 0.07 -0.04 1.64 1.66 3kvcA1 LEU 36 HB3 0.02 0.01 0.06 -0.04 1.64 1.69 3kvcA1 LEU 36 HG -0.04 0.01 0.03 -0.04 1.64 1.59 3kvcA1 LEU 36 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.89 3kvcA1 LEU 36 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.66 3kvcA1 TRP 37 H -0.23 -0.00 -0.26 -0.55 7.97 6.93 3kvcA1 TRP 37 HA -0.06 0.17 0.65 -0.75 4.62 4.62 3kvcA1 TRP 37 HB2 -0.27 0.04 0.11 -0.04 3.23 3.08 3kvcA1 TRP 37 HB3 -0.17 -0.02 0.06 -0.04 3.23 3.05 3kvcA1 TRP 37 HD1 -0.02 -0.01 -0.00 -0.04 7.22 7.14 3kvcA1 TRP 37 HE1 0.06 0.01 -0.03 -0.04 10.20 10.20 3kvcA1 TRP 37 HE3 -0.22 0.04 -0.41 -0.04 7.59 6.95 3kvcA1 TRP 37 HZ2 -0.09 -0.02 -0.12 -0.04 7.44 7.16 3kvcA1 TRP 37 HZ3 -0.32 0.07 -0.29 -0.04 7.13 6.55 3kvcA1 TRP 37 HH2 -0.30 0.01 -0.16 -0.04 7.19 6.71 3kvcA1 LEU 38 H -0.54 0.34 -0.51 -0.55 8.37 7.10 3kvcA1 LEU 38 HA -0.13 0.07 0.48 -0.75 4.35 4.01 3kvcA1 LEU 38 HB2 -1.19 -0.10 -0.05 -0.04 1.64 0.26 3kvcA1 LEU 38 HB3 -0.49 0.13 0.05 -0.04 1.64 1.29 3kvcA1 LEU 38 HG -0.54 0.01 -0.33 -0.04 1.64 0.74 3kvcA1 LEU 38 HD13 -0.76 -0.00 -0.16 -0.04 0.93 -0.03 3kvcA1 LEU 38 HD23 -0.83 -0.01 -0.15 -0.04 0.89 -0.13 3kvcA1 THR 39 H 0.19 0.27 0.15 -0.55 8.28 8.34 3kvcA1 THR 39 HA 0.17 0.33 0.90 -0.75 4.39 5.04 3kvcA1 THR 39 HB 0.11 0.05 0.14 -0.04 4.32 4.58 3kvcA1 THR 39 HG23 0.07 -0.03 0.01 -0.04 1.22 1.22 3kvcA1 GLY 40 H 0.19 0.53 0.38 -0.55 8.43 8.99 3kvcA1 GLY 40 HA2 -0.08 -0.03 0.40 -0.51 4.01 3.79 3kvcA1 GLY 40 HA3 -0.34 0.18 0.74 -0.51 4.01 4.08 3kvcA1 SER 41 H -0.59 0.69 0.29 -0.55 8.46 8.30 3kvcA1 SER 41 HA 0.08 0.30 1.12 -0.75 4.49 5.23 3kvcA1 SER 41 HB2 -0.17 -0.07 0.08 -0.04 3.95 3.75 3kvcA1 SER 41 HB3 -0.06 0.08 -0.10 -0.04 3.93 3.80 3kvcA1 LEU 42 H 0.38 0.63 0.31 -0.55 8.37 9.14 3kvcA1 LEU 42 HA 0.24 0.24 1.01 -0.75 4.35 5.08 3kvcA1 LEU 42 HB2 0.52 -0.04 0.03 -0.04 1.64 2.11 3kvcA1 LEU 42 HB3 0.50 -0.06 0.20 -0.04 1.64 2.23 3kvcA1 LEU 42 HG 0.23 0.02 -0.30 -0.04 1.64 1.54 3kvcA1 LEU 42 HD13 0.17 0.06 -0.17 -0.04 0.93 0.95 3kvcA1 LEU 42 HD23 0.10 -0.01 -0.18 -0.04 0.89 0.75 3kvcA1 LEU 43 H 0.08 0.69 0.34 -0.55 8.37 8.94 3kvcA1 LEU 43 HA 0.06 0.39 1.08 -0.75 4.35 5.13 3kvcA1 LEU 43 HB2 0.01 -0.07 0.13 -0.04 1.64 1.67 3kvcA1 LEU 43 HB3 -0.01 0.01 0.01 -0.04 1.64 1.60 3kvcA1 LEU 43 HG -0.08 -0.05 -0.25 -0.04 1.64 1.22 3kvcA1 LEU 43 HD13 -0.26 -0.02 -0.07 -0.04 0.93 0.54 3kvcA1 LEU 43 HD23 -0.08 0.05 -0.07 -0.04 0.89 0.75 3kvcA1 ARG 44 H 0.10 0.53 0.31 -0.55 8.46 8.85 3kvcA1 ARG 44 HA 0.10 0.21 1.05 -0.75 4.34 4.95 3kvcA1 ARG 44 HB2 0.03 -0.05 -0.08 -0.04 1.90 1.75 3kvcA1 ARG 44 HB3 -0.01 0.08 -0.08 -0.04 1.80 1.75 3kvcA1 ARG 44 HG2 0.09 0.04 -0.25 -0.04 1.67 1.51 3kvcA1 ARG 44 HG3 0.12 -0.12 -0.67 -0.04 1.67 0.96 3kvcA1 ARG 44 HD2 0.04 -0.01 -0.23 -0.04 3.22 2.98 3kvcA1 ARG 44 HD3 0.03 -0.05 -0.21 -0.04 3.22 2.95 3kvcA1 CYS 45 H 0.10 0.63 0.37 -0.55 8.50 9.05 3kvcA1 CYS 45 HA 0.11 0.33 1.22 -0.75 4.58 5.48 3kvcA1 CYS 45 HB2 0.15 0.01 -0.37 -0.04 2.97 2.72 3kvcA1 CYS 45 HB3 0.10 0.00 -0.23 -0.04 2.97 2.79 3kvcA1 GLY 46 H 0.03 0.42 0.41 -0.55 8.43 8.74 3kvcA1 GLY 46 HA2 -0.30 0.06 0.78 -0.51 4.01 4.04 3kvcA1 GLY 46 HA3 -0.20 0.35 0.43 -0.51 4.01 4.08 3kvcA1 PRO 47 HA -0.11 0.06 0.22 -0.51 4.44 4.09 3kvcA1 PRO 47 HB2 -0.61 -0.11 -0.12 -0.04 2.28 1.40 3kvcA1 PRO 47 HB3 -0.04 0.01 -0.01 -0.04 2.02 1.94 3kvcA1 PRO 47 HG2 0.24 0.09 0.08 -0.04 2.03 2.39 3kvcA1 PRO 47 HG3 0.26 0.12 0.12 -0.04 2.03 2.49 3kvcA1 PRO 47 HD2 -0.35 0.44 0.22 -0.04 3.68 3.95 3kvcA1 PRO 47 HD3 -0.22 0.06 0.16 -0.04 3.65 3.62 3kvcA1 GLY 48 H -0.10 0.29 0.09 -0.55 8.43 8.17 3kvcA1 GLY 48 HA2 0.03 0.29 0.74 -0.51 4.01 4.56 3kvcA1 GLY 48 HA3 -0.10 0.02 0.21 -0.51 4.01 3.63 3kvcA1 LEU 49 H -0.09 0.01 0.15 -0.55 8.37 7.89 3kvcA1 LEU 49 HA 0.20 0.16 0.90 -0.75 4.35 4.86 3kvcA1 LEU 49 HB2 -0.03 0.12 -0.02 -0.04 1.64 1.67 3kvcA1 LEU 49 HB3 0.08 -0.17 0.23 -0.04 1.64 1.74 3kvcA1 LEU 49 HG 0.14 0.03 -0.15 -0.04 1.64 1.62 3kvcA1 LEU 49 HD13 0.05 0.01 0.11 -0.04 0.93 1.05 3kvcA1 LEU 49 HD23 -0.08 -0.01 -0.00 -0.04 0.89 0.75 3kvcA1 PHE 50 H 0.39 0.20 0.09 -0.55 8.34 8.47 3kvcA1 PHE 50 HA 0.34 0.06 0.48 -0.75 4.62 4.74 3kvcA1 PHE 50 HB2 0.13 0.02 0.00 -0.04 3.15 3.26 3kvcA1 PHE 50 HB3 0.15 0.05 0.10 -0.04 3.06 3.32 3kvcA1 PHE 50 HD2 0.13 -0.07 -0.30 -0.04 7.28 7.00 3kvcA1 PHE 50 HE2 0.13 0.14 -0.33 -0.04 7.38 7.28 3kvcA1 PHE 50 HZ 0.08 0.26 -0.11 -0.04 7.32 7.52 3kvcA1 GLU 51 H 0.23 0.21 -0.03 -0.55 8.60 8.46 3kvcA1 GLU 51 HA -0.17 0.06 0.42 -0.75 4.29 3.86 3kvcA1 GLU 51 HB2 -0.06 0.12 -0.29 -0.04 2.09 1.83 3kvcA1 GLU 51 HB3 0.04 0.07 -0.11 -0.04 1.99 1.94 3kvcA1 GLU 51 HG2 0.03 -0.03 -0.23 -0.04 2.34 2.06 3kvcA1 GLU 51 HG3 0.02 0.10 -0.13 -0.04 2.34 2.29 3kvcA1 VAL 52 H -0.26 0.68 0.06 -0.55 8.24 8.16 3kvcA1 VAL 52 HA -0.06 0.14 0.79 -0.75 4.13 4.24 3kvcA1 VAL 52 HB -0.17 -0.08 -0.00 -0.04 2.12 1.82 3kvcA1 VAL 52 HG13 -0.09 0.06 -0.31 -0.04 0.97 0.59 3kvcA1 VAL 52 HG23 -0.09 -0.00 -0.23 -0.04 0.95 0.59 3kvcA1 GLY 53 H -0.04 0.18 -0.04 -0.55 8.43 7.98 3kvcA1 GLY 53 HA2 -0.03 0.05 0.30 -0.51 4.01 3.82 3kvcA1 GLY 53 HA3 -0.04 0.09 0.49 -0.51 4.01 4.03 3kvcA1 SER 54 H -0.04 0.18 0.20 -0.55 8.46 8.26 3kvcA1 SER 54 HA -0.03 0.17 0.66 -0.75 4.49 4.54 3kvcA1 SER 54 HB2 -0.02 0.00 0.15 -0.04 3.95 4.05 3kvcA1 SER 54 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.90 3kvcA1 GLU 55 H -0.09 0.47 -0.29 -0.55 8.60 8.14 3kvcA1 GLU 55 HA -0.10 0.21 0.87 -0.75 4.29 4.52 3kvcA1 GLU 55 HB2 -0.16 0.03 0.22 -0.04 2.09 2.13 3kvcA1 GLU 55 HB3 -0.16 0.03 0.05 -0.04 1.99 1.86 3kvcA1 GLU 55 HG2 -0.05 0.05 0.01 -0.04 2.34 2.30 3kvcA1 GLU 55 HG3 -0.07 -0.02 0.05 -0.04 2.34 2.26 3kvcA1 PRO 56 HA -0.19 0.10 0.63 -0.51 4.44 4.47 3kvcA1 PRO 56 HB2 -0.32 0.12 -0.09 -0.04 2.28 1.94 3kvcA1 PRO 56 HB3 -0.12 0.03 0.01 -0.04 2.02 1.91 3kvcA1 PRO 56 HG2 -0.65 -0.03 0.01 -0.04 2.03 1.32 3kvcA1 PRO 56 HG3 -0.09 0.05 0.05 -0.04 2.03 1.99 3kvcA1 PRO 56 HD2 -0.16 0.04 0.21 -0.04 3.68 3.73 3kvcA1 PRO 56 HD3 -0.09 0.30 0.27 -0.04 3.65 4.09 3kvcA1 PHE 57 H -0.02 0.58 0.23 -0.55 8.34 8.58 3kvcA1 PHE 57 HA -0.09 0.05 0.74 -0.75 4.62 4.57 3kvcA1 PHE 57 HB2 0.09 0.18 0.05 -0.04 3.15 3.44 3kvcA1 PHE 57 HB3 0.10 -0.15 -0.09 -0.04 3.06 2.87 3kvcA1 PHE 57 HD2 0.06 -0.10 -0.15 -0.04 7.28 7.05 3kvcA1 PHE 57 HE2 0.04 0.01 -0.12 -0.04 7.38 7.27 3kvcA1 PHE 57 HZ 0.03 -0.05 -0.08 -0.04 7.32 7.18 3kvcA1 TYR 58 H 0.28 0.06 0.03 -0.55 8.29 8.11 3kvcA1 TYR 58 HA 0.17 0.20 0.65 -0.75 4.56 4.83 3kvcA1 TYR 58 HB2 0.28 0.17 0.13 -0.04 3.06 3.60 3kvcA1 TYR 58 HB3 0.33 -0.05 0.05 -0.04 2.98 3.27 3kvcA1 TYR 58 HD2 0.11 -0.04 0.09 -0.04 7.15 7.27 3kvcA1 TYR 58 HE2 0.03 0.01 0.02 -0.04 6.85 6.87 3kvcA1 HIS 59 H 0.33 0.02 0.00 -0.55 8.41 8.22 3kvcA1 HIS 59 HA -0.14 0.18 0.96 -0.75 4.63 4.88 3kvcA1 HIS 59 HB2 -0.07 0.06 -0.01 -0.04 3.26 3.20 3kvcA1 HIS 59 HB3 0.09 -0.18 -0.02 -0.04 3.20 3.05 3kvcA1 HIS 59 HD2 -1.89 0.02 -0.10 -0.04 6.97 4.96 3kvcA1 HIS 59 HE1 -1.03 0.03 -0.01 -0.04 7.75 6.70 3kvcA1 LEU 60 H -1.02 0.69 0.32 -0.55 8.37 7.82 3kvcA1 LEU 60 HA -0.10 0.10 0.45 -0.75 4.35 4.04 3kvcA1 LEU 60 HB2 -0.62 0.16 0.17 -0.04 1.64 1.31 3kvcA1 LEU 60 HB3 -1.29 -0.08 0.12 -0.04 1.64 0.35 3kvcA1 LEU 60 HG -0.09 -0.04 -0.13 -0.04 1.64 1.35 3kvcA1 LEU 60 HD13 0.25 0.01 0.04 -0.04 0.93 1.20 3kvcA1 LEU 60 HD23 -0.26 0.01 -0.01 -0.04 0.89 0.59 3kvcA1 PHE 61 H 0.21 -0.02 -0.41 -0.55 8.34 7.57 3kvcA1 PHE 61 HA 0.06 0.31 0.68 -0.75 4.62 4.92 3kvcA1 PHE 61 HB2 -0.30 -0.12 0.05 -0.04 3.15 2.74 3kvcA1 PHE 61 HB3 -0.27 0.01 0.17 -0.04 3.06 2.94 3kvcA1 PHE 61 HD2 -0.86 0.04 -0.10 -0.04 7.28 6.32 3kvcA1 PHE 61 HE2 -1.71 0.03 -0.05 -0.04 7.38 5.60 3kvcA1 PHE 61 HZ -0.73 0.04 -0.06 -0.04 7.32 6.52 3kvcA1 ASP 62 H 0.13 0.47 -0.39 -0.55 8.40 8.06 3kvcA1 ASP 62 HA 0.03 0.09 1.01 -0.75 4.63 5.00 3kvcA1 ASP 62 HB2 0.14 0.20 0.03 -0.04 2.71 3.04 3kvcA1 ASP 62 HB3 0.04 0.02 0.01 -0.04 2.70 2.73 3kvcA1 GLY 63 H -0.10 0.16 -0.01 -0.55 8.43 7.94 3kvcA1 GLY 63 HA2 -0.74 0.12 0.34 -0.51 4.01 3.22 3kvcA1 GLY 63 HA3 -0.51 0.04 0.20 -0.51 4.01 3.23 3kvcA1 GLN 64 H -0.17 0.44 0.32 -0.55 8.47 8.51 3kvcA1 GLN 64 HA -0.05 0.01 0.28 -0.75 4.36 3.84 3kvcA1 GLN 64 HB2 0.16 0.00 0.16 -0.04 2.15 2.43 3kvcA1 GLN 64 HB3 0.23 0.01 0.04 -0.04 2.02 2.25 3kvcA1 GLN 64 HG2 0.09 0.09 0.08 -0.04 2.40 2.62 3kvcA1 GLN 64 HG3 0.23 0.02 0.00 -0.04 2.39 2.60 3kvcA1 GLN 64 HE21 -0.10 -0.07 -0.03 -0.04 6.97 6.72 3kvcA1 GLN 64 HE22 -0.76 0.11 -0.03 -0.04 7.69 6.98 3kvcA1 ALA 65 H 0.03 -0.04 0.12 -0.55 8.40 7.96 3kvcA1 ALA 65 HA -0.00 0.27 0.32 -0.75 4.34 4.18 3kvcA1 ALA 65 HB3 0.01 -0.01 -0.25 -0.04 1.41 1.12 3kvcA1 LEU 66 H -0.09 0.87 0.40 -0.55 8.37 8.99 3kvcA1 LEU 66 HA -0.49 0.03 0.90 -0.75 4.35 4.04 3kvcA1 LEU 66 HB2 -0.66 -0.07 -0.13 -0.04 1.64 0.74 3kvcA1 LEU 66 HB3 -0.25 0.15 -0.10 -0.04 1.64 1.40 3kvcA1 LEU 66 HG -0.97 0.05 -0.35 -0.04 1.64 0.33 3kvcA1 LEU 66 HD13 -1.25 -0.01 -0.38 -0.04 0.93 -0.75 3kvcA1 LEU 66 HD23 -0.35 0.02 -0.18 -0.04 0.89 0.34 3kvcA1 LEU 67 H -0.37 0.60 0.26 -0.55 8.37 8.31 3kvcA1 LEU 67 HA -0.07 0.27 0.97 -0.75 4.35 4.76 3kvcA1 LEU 67 HB2 -0.12 -0.08 -0.01 -0.04 1.64 1.39 3kvcA1 LEU 67 HB3 -0.22 0.08 0.16 -0.04 1.64 1.63 3kvcA1 LEU 67 HG -0.15 0.02 -0.30 -0.04 1.64 1.17 3kvcA1 LEU 67 HD13 -0.03 0.02 -0.07 -0.04 0.93 0.82 3kvcA1 LEU 67 HD23 -0.11 -0.01 -0.14 -0.04 0.89 0.58 3kvcA1 HIS 68 H 0.09 0.67 0.40 -0.55 8.41 9.02 3kvcA1 HIS 68 HA -0.24 0.21 0.99 -0.75 4.63 4.84 3kvcA1 HIS 68 HB2 0.03 -0.07 0.03 -0.04 3.26 3.21 3kvcA1 HIS 68 HB3 0.10 -0.02 -0.04 -0.04 3.20 3.19 3kvcA1 HIS 68 HD2 -0.08 0.20 -0.15 -0.04 6.97 6.89 3kvcA1 HIS 68 HE1 -0.02 0.02 -0.15 -0.04 7.75 7.55 3kvcA1 LYS 69 H -0.23 0.61 0.35 -0.55 8.42 8.60 3kvcA1 LYS 69 HA 0.03 0.39 1.00 -0.75 4.32 4.99 3kvcA1 LYS 69 HB2 -0.10 0.02 -0.23 -0.04 1.87 1.53 3kvcA1 LYS 69 HB3 -0.12 -0.08 0.01 -0.04 1.79 1.55 3kvcA1 LYS 69 HG2 -0.05 -0.12 -0.44 -0.04 1.46 0.80 3kvcA1 LYS 69 HG3 -0.02 0.06 -0.18 -0.04 1.46 1.28 3kvcA1 LYS 69 HD2 -0.07 -0.07 -0.11 -0.04 1.69 1.40 3kvcA1 LYS 69 HD3 -0.09 0.10 -0.10 -0.04 1.68 1.55 3kvcA1 LYS 69 HE2 -0.05 0.20 -0.10 -0.04 2.99 2.99 3kvcA1 LYS 69 HE3 -0.05 -0.06 -0.24 -0.04 2.99 2.60 3kvcA1 PHE 70 H 0.26 0.58 0.29 -0.55 8.34 8.92 3kvcA1 PHE 70 HA -0.01 0.42 1.10 -0.75 4.62 5.38 3kvcA1 PHE 70 HB2 0.13 -0.06 0.18 -0.04 3.15 3.36 3kvcA1 PHE 70 HB3 -0.37 -0.00 -0.00 -0.04 3.06 2.65 3kvcA1 PHE 70 HD2 -0.01 0.04 -0.10 -0.04 7.28 7.16 3kvcA1 PHE 70 HE2 -0.15 0.02 -0.16 -0.04 7.38 7.05 3kvcA1 PHE 70 HZ -0.49 0.01 -0.19 -0.04 7.32 6.62 3kvcA1 ASP 71 H -0.09 0.44 0.22 -0.55 8.40 8.42 3kvcA1 ASP 71 HA 0.03 0.23 1.07 -0.75 4.63 5.21 3kvcA1 ASP 71 HB2 -0.07 -0.07 0.10 -0.04 2.71 2.64 3kvcA1 ASP 71 HB3 -0.03 0.01 -0.11 -0.04 2.70 2.52 3kvcA1 PHE 72 H 0.29 0.71 0.36 -0.55 8.34 9.15 3kvcA1 PHE 72 HA 0.05 0.33 1.01 -0.75 4.62 5.26 3kvcA1 PHE 72 HB2 0.12 -0.13 0.00 -0.04 3.15 3.10 3kvcA1 PHE 72 HB3 -0.00 0.10 -0.07 -0.04 3.06 3.04 3kvcA1 PHE 72 HD2 0.08 0.09 -0.17 -0.04 7.28 7.25 3kvcA1 PHE 72 HE2 0.07 -0.02 -0.16 -0.04 7.38 7.23 3kvcA1 PHE 72 HZ -0.09 -0.01 -0.17 -0.04 7.32 7.02 3kvcA1 LYS 73 H 0.10 0.68 0.23 -0.55 8.42 8.89 3kvcA1 LYS 73 HA 0.09 0.10 0.71 -0.75 4.32 4.47 3kvcA1 LYS 73 HB2 0.04 0.05 -0.16 -0.04 1.87 1.76 3kvcA1 LYS 73 HB3 0.04 -0.00 0.01 -0.04 1.79 1.79 3kvcA1 LYS 73 HG2 0.03 -0.00 -0.18 -0.04 1.46 1.26 3kvcA1 LYS 73 HG3 0.04 -0.00 0.06 -0.04 1.46 1.51 3kvcA1 LYS 73 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 3kvcA1 LYS 73 HD3 0.01 0.01 -0.03 -0.04 1.68 1.62 3kvcA1 LYS 73 HE2 -0.01 0.01 -0.09 -0.04 2.99 2.85 3kvcA1 LYS 73 HE3 -0.03 -0.00 -0.08 -0.04 2.99 2.83 3kvcA1 GLU 74 H 0.07 0.24 0.10 -0.55 8.60 8.46 3kvcA1 GLU 74 HA 0.05 0.07 0.34 -0.75 4.29 4.00 3kvcA1 GLU 74 HB2 0.10 0.07 -0.22 -0.04 2.09 2.00 3kvcA1 GLU 74 HB3 0.11 0.01 0.19 -0.04 1.99 2.25 3kvcA1 GLU 74 HG2 0.04 0.04 0.07 -0.04 2.34 2.46 3kvcA1 GLU 74 HG3 0.04 -0.04 -0.02 -0.04 2.34 2.29 3kvcA1 GLY 75 H 0.03 0.13 -0.34 -0.55 8.43 7.71 3kvcA1 GLY 75 HA2 -0.08 0.03 0.18 -0.51 4.01 3.63 3kvcA1 GLY 75 HA3 -0.12 0.09 0.50 -0.51 4.01 3.96 3kvcA1 HIS 76 H 0.14 0.51 -0.26 -0.55 8.41 8.25 3kvcA1 HIS 76 HA -0.03 0.14 0.83 -0.75 4.63 4.81 3kvcA1 HIS 76 HB2 -0.02 0.13 0.08 -0.04 3.26 3.41 3kvcA1 HIS 76 HB3 -0.03 -0.04 0.03 -0.04 3.20 3.11 3kvcA1 HIS 76 HD2 -0.02 -0.02 0.02 -0.04 6.97 6.91 3kvcA1 HIS 76 HE1 -0.01 -0.03 0.03 -0.04 7.75 7.69 3kvcA1 VAL 77 H 0.02 0.24 0.22 -0.55 8.24 8.18 3kvcA1 VAL 77 HA -0.16 0.51 1.20 -0.75 4.13 4.93 3kvcA1 VAL 77 HB -0.05 -0.06 -0.01 -0.04 2.12 1.95 3kvcA1 VAL 77 HG13 -0.14 -0.01 -0.19 -0.04 0.97 0.59 3kvcA1 VAL 77 HG23 -0.16 -0.00 -0.34 -0.04 0.95 0.40 3kvcA1 THR 78 H -0.10 0.44 0.37 -0.55 8.28 8.44 3kvcA1 THR 78 HA 0.01 0.23 1.25 -0.75 4.39 5.13 3kvcA1 THR 78 HB -0.06 0.04 0.02 -0.04 4.32 4.28 3kvcA1 THR 78 HG23 -0.03 -0.02 -0.21 -0.04 1.22 0.92 3kvcA1 TYR 79 H 0.02 0.66 0.42 -0.55 8.29 8.84 3kvcA1 TYR 79 HA -0.45 0.42 1.13 -0.75 4.56 4.91 3kvcA1 TYR 79 HB2 -0.30 -0.01 -0.10 -0.04 3.06 2.61 3kvcA1 TYR 79 HB3 -0.13 -0.06 0.05 -0.04 2.98 2.80 3kvcA1 TYR 79 HD2 -0.85 -0.00 -0.10 -0.04 7.15 6.15 3kvcA1 TYR 79 HE2 -0.15 -0.00 -0.15 -0.04 6.85 6.51 3kvcA1 HIS 80 H -0.59 0.63 0.38 -0.55 8.41 8.29 3kvcA1 HIS 80 HA -0.51 0.10 0.71 -0.75 4.63 4.18 3kvcA1 HIS 80 HB2 -0.24 -0.07 -0.19 -0.04 3.26 2.71 3kvcA1 HIS 80 HB3 -0.28 0.03 -0.06 -0.04 3.20 2.84 3kvcA1 HIS 80 HD2 -0.15 0.02 -0.20 -0.04 6.97 6.60 3kvcA1 HIS 80 HE1 -0.13 0.22 -0.47 -0.04 7.75 7.34 3kvcA1 ARG 81 H -0.50 0.23 0.19 -0.55 8.46 7.83 3kvcA1 ARG 81 HA -0.59 0.37 0.70 -0.75 4.34 4.06 3kvcA1 ARG 81 HB2 -0.66 0.01 -0.07 -0.04 1.90 1.14 3kvcA1 ARG 81 HB3 -0.60 0.05 -0.02 -0.04 1.80 1.20 3kvcA1 ARG 81 HG2 -0.45 -0.03 -0.16 -0.04 1.67 0.98 3kvcA1 ARG 81 HG3 -0.32 -0.20 0.05 -0.04 1.67 1.16 3kvcA1 ARG 81 HD2 -0.36 -0.06 -0.23 -0.04 3.22 2.53 3kvcA1 ARG 81 HD3 -0.15 0.05 -0.15 -0.04 3.22 2.93 3kvcA1 ARG 82 H -0.49 0.65 0.31 -0.55 8.46 8.37 3kvcA1 ARG 82 HA -0.29 0.03 0.83 -0.75 4.34 4.16 3kvcA1 ARG 82 HB2 -0.28 0.06 0.05 -0.04 1.90 1.68 3kvcA1 ARG 82 HB3 -0.18 0.04 0.03 -0.04 1.80 1.64 3kvcA1 ARG 82 HG2 -0.78 -0.13 -0.55 -0.04 1.67 0.17 3kvcA1 ARG 82 HG3 -0.25 0.07 -0.12 -0.04 1.67 1.33 3kvcA1 ARG 82 HD2 -0.17 -0.02 0.25 -0.04 3.22 3.23 3kvcA1 ARG 82 HD3 -0.05 0.12 0.02 -0.04 3.22 3.27 3kvcA1 PHE 83 H -0.06 0.09 0.14 -0.55 8.34 7.95 3kvcA1 PHE 83 HA -0.32 0.17 0.84 -0.75 4.62 4.57 3kvcA1 PHE 83 HB2 -0.48 -0.06 0.08 -0.04 3.15 2.65 3kvcA1 PHE 83 HB3 -1.12 0.03 -0.06 -0.04 3.06 1.87 3kvcA1 PHE 83 HD2 -0.20 0.05 -0.05 -0.04 7.28 7.03 3kvcA1 PHE 83 HE2 -0.04 -0.08 -0.07 -0.04 7.38 7.15 3kvcA1 PHE 83 HZ 0.01 0.27 -0.26 -0.04 7.32 7.30 3kvcA1 ILE 84 H -0.15 0.53 0.22 -0.55 8.25 8.31 3kvcA1 ILE 84 HA -0.10 0.13 0.52 -0.75 4.18 3.97 3kvcA1 ILE 84 HB -0.05 -0.12 0.10 -0.04 1.89 1.78 3kvcA1 ILE 84 HG12 -0.10 0.09 -0.10 -0.04 1.49 1.34 3kvcA1 ILE 84 HG13 -0.12 0.05 -0.15 -0.04 1.21 0.95 3kvcA1 ILE 84 HG23 -0.02 -0.02 -0.16 -0.04 0.93 0.69 3kvcA1 ILE 84 HD13 -0.02 0.00 -0.09 -0.04 0.88 0.73 3kvcA1 ARG 85 H -0.05 0.20 0.13 -0.55 8.46 8.19 3kvcA1 ARG 85 HA 0.11 0.08 0.54 -0.75 4.34 4.31 3kvcA1 ARG 85 HB2 0.02 -0.01 0.19 -0.04 1.90 2.06 3kvcA1 ARG 85 HB3 0.07 0.00 0.11 -0.04 1.80 1.94 3kvcA1 ARG 85 HG2 -0.01 0.05 0.12 -0.04 1.67 1.79 3kvcA1 ARG 85 HG3 0.03 0.02 0.07 -0.04 1.67 1.75 3kvcA1 ARG 85 HD2 0.21 -0.04 -0.05 -0.04 3.22 3.30 3kvcA1 ARG 85 HD3 -0.01 0.04 -0.27 -0.04 3.22 2.93 3kvcA1 THR 86 H 0.06 0.45 -0.06 -0.55 8.28 8.18 3kvcA1 THR 86 HA 0.02 0.20 0.49 -0.75 4.39 4.34 3kvcA1 THR 86 HB 0.03 -0.08 -0.00 -0.04 4.32 4.23 3kvcA1 THR 86 HG23 0.03 0.03 -0.01 -0.04 1.22 1.23 3kvcA1 ASP 87 H -0.04 0.20 0.11 -0.55 8.40 8.12 3kvcA1 ASP 87 HA -0.00 0.15 0.50 -0.75 4.63 4.52 3kvcA1 ASP 87 HB2 -0.11 -0.05 0.11 -0.04 2.71 2.63 3kvcA1 ASP 87 HB3 -0.05 0.07 0.02 -0.04 2.70 2.70 3kvcA1 ALA 88 H 0.03 0.03 -0.16 -0.55 8.40 7.75 3kvcA1 ALA 88 HA 0.06 0.11 0.37 -0.75 4.34 4.12 3kvcA1 ALA 88 HB3 0.09 0.01 0.04 -0.04 1.41 1.51 3kvcA1 TYR 89 H 0.18 0.03 -0.25 -0.55 8.29 7.69 3kvcA1 TYR 89 HA -0.00 0.10 0.44 -0.75 4.56 4.34 3kvcA1 TYR 89 HB2 0.01 -0.05 0.13 -0.04 3.06 3.11 3kvcA1 TYR 89 HB3 0.00 0.00 0.19 -0.04 2.98 3.13 3kvcA1 TYR 89 HD2 -0.07 -0.05 -0.10 -0.04 7.15 6.89 3kvcA1 TYR 89 HE2 -0.48 0.02 -0.06 -0.04 6.85 6.29 3kvcA1 VAL 90 H 0.12 0.58 -0.11 -0.55 8.24 8.27 3kvcA1 VAL 90 HA -0.05 0.06 0.35 -0.75 4.13 3.73 3kvcA1 VAL 90 HB 0.03 0.02 0.09 -0.04 2.12 2.21 3kvcA1 VAL 90 HG13 -0.00 0.00 -0.17 -0.04 0.97 0.75 3kvcA1 VAL 90 HG23 0.09 0.01 -0.07 -0.04 0.95 0.93 3kvcA1 ARG 91 H -0.01 0.56 -0.10 -0.55 8.46 8.35 3kvcA1 ARG 91 HA -0.03 0.05 0.52 -0.75 4.34 4.12 3kvcA1 ARG 91 HB2 0.00 0.08 0.13 -0.04 1.90 2.07 3kvcA1 ARG 91 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.75 3kvcA1 ARG 91 HG2 -0.01 -0.02 0.03 -0.04 1.67 1.63 3kvcA1 ARG 91 HG3 -0.01 0.04 0.13 -0.04 1.67 1.79 3kvcA1 ARG 91 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.12 3kvcA1 ARG 91 HD3 0.00 -0.04 -0.08 -0.04 3.22 3.07 3kvcA1 ALA 92 H -0.04 0.42 -0.16 -0.55 8.40 8.07 3kvcA1 ALA 92 HA -0.05 0.22 0.65 -0.75 4.34 4.41 3kvcA1 ALA 92 HB3 -0.06 -0.01 0.13 -0.04 1.41 1.42 3kvcA1 MET 93 H -0.25 0.49 -0.17 -0.55 8.47 7.99 3kvcA1 MET 93 HA -0.20 0.03 0.55 -0.75 4.52 4.15 3kvcA1 MET 93 HB2 -0.21 0.11 0.15 -0.04 2.15 2.15 3kvcA1 MET 93 HB3 -0.17 -0.04 0.03 -0.04 2.03 1.81 3kvcA1 MET 93 HG2 -0.94 0.22 0.06 -0.04 2.63 1.93 3kvcA1 MET 93 HG3 -0.55 -0.06 -0.02 -0.04 2.56 1.89 3kvcA1 MET 93 HE3 -0.33 -0.02 -0.12 -0.04 2.10 1.59 3kvcA1 THR 94 H -0.09 0.39 -0.13 -0.55 8.28 7.90 3kvcA1 THR 94 HA -0.05 0.06 0.54 -0.75 4.39 4.19 3kvcA1 THR 94 HB -0.04 -0.00 0.21 -0.04 4.32 4.45 3kvcA1 THR 94 HG23 -0.02 -0.02 -0.10 -0.04 1.22 1.04 3kvcA1 GLU 95 H -0.05 0.79 0.09 -0.55 8.60 8.88 3kvcA1 GLU 95 HA -0.03 0.12 0.64 -0.75 4.29 4.27 3kvcA1 GLU 95 HB2 -0.03 0.00 -0.02 -0.04 2.09 2.01 3kvcA1 GLU 95 HB3 -0.02 -0.04 0.07 -0.04 1.99 1.96 3kvcA1 GLU 95 HG2 -0.02 -0.06 -0.06 -0.04 2.34 2.16 3kvcA1 GLU 95 HG3 -0.02 0.02 0.02 -0.04 2.34 2.32 3kvcA1 LYS 96 H -0.06 0.21 -0.52 -0.55 8.42 7.49 3kvcA1 LYS 96 HA -0.07 0.09 0.30 -0.75 4.32 3.89 3kvcA1 LYS 96 HB2 -0.04 0.11 0.01 -0.04 1.87 1.91 3kvcA1 LYS 96 HB3 -0.05 -0.11 0.14 -0.04 1.79 1.73 3kvcA1 LYS 96 HG2 -0.05 0.14 -0.09 -0.04 1.46 1.42 3kvcA1 LYS 96 HG3 -0.04 0.07 -0.47 -0.04 1.46 0.97 3kvcA1 LYS 96 HD2 -0.03 -0.03 -0.06 -0.04 1.69 1.54 3kvcA1 LYS 96 HD3 -0.03 -0.07 -0.01 -0.04 1.68 1.52 3kvcA1 LYS 96 HE2 -0.03 -0.07 0.00 -0.04 2.99 2.85 3kvcA1 LYS 96 HE3 -0.04 -0.05 0.01 -0.04 2.99 2.87 3kvcA1 ARG 97 H -0.05 0.25 -0.13 -0.55 8.46 7.97 3kvcA1 ARG 97 HA -0.07 0.11 0.49 -0.75 4.34 4.12 3kvcA1 ARG 97 HB2 -0.04 -0.06 0.05 -0.04 1.90 1.82 3kvcA1 ARG 97 HB3 -0.04 0.13 -0.09 -0.04 1.80 1.76 3kvcA1 ARG 97 HG2 -0.03 0.15 -0.38 -0.04 1.67 1.37 3kvcA1 ARG 97 HG3 -0.02 -0.08 -0.48 -0.04 1.67 1.04 3kvcA1 ARG 97 HD2 -0.02 -0.01 -0.08 -0.04 3.22 3.08 3kvcA1 ARG 97 HD3 -0.01 -0.01 -0.09 -0.04 3.22 3.06 3kvcA1 ILE 98 H -0.09 0.18 0.09 -0.55 8.25 7.88 3kvcA1 ILE 98 HA -0.01 0.05 0.68 -0.75 4.18 4.14 3kvcA1 ILE 98 HB -0.07 0.01 0.07 -0.04 1.89 1.86 3kvcA1 ILE 98 HG12 -0.51 -0.02 -0.10 -0.04 1.49 0.83 3kvcA1 ILE 98 HG13 -0.29 -0.01 -0.00 -0.04 1.21 0.87 3kvcA1 ILE 98 HG23 0.14 -0.02 -0.20 -0.04 0.93 0.82 3kvcA1 ILE 98 HD13 -0.61 0.00 -0.28 -0.04 0.88 -0.04 3kvcA1 VAL 99 H 0.05 0.09 0.17 -0.55 8.24 8.00 3kvcA1 VAL 99 HA 0.02 0.21 0.74 -0.75 4.13 4.35 3kvcA1 VAL 99 HB 0.03 -0.07 -0.00 -0.04 2.12 2.04 3kvcA1 VAL 99 HG13 0.02 0.00 -0.12 -0.04 0.97 0.83 3kvcA1 VAL 99 HG23 -0.01 0.08 -0.24 -0.04 0.95 0.74 3kvcA1 ILE 100 H 0.10 0.04 0.12 -0.55 8.25 7.96 3kvcA1 ILE 100 HA 0.10 0.23 0.79 -0.75 4.18 4.54 3kvcA1 ILE 100 HB 0.12 -0.10 0.11 -0.04 1.89 1.98 3kvcA1 ILE 100 HG12 0.05 -0.05 -0.15 -0.04 1.49 1.30 3kvcA1 ILE 100 HG13 0.05 -0.18 -0.15 -0.04 1.21 0.90 3kvcA1 ILE 100 HG23 0.14 0.06 -0.15 -0.04 0.93 0.95 3kvcA1 ILE 100 HD13 0.05 0.06 -0.12 -0.04 0.88 0.83 3kvcA1 THR 101 H 0.13 0.25 0.21 -0.55 8.28 8.33 3kvcA1 THR 101 HA 0.19 0.10 0.62 -0.75 4.39 4.54 3kvcA1 THR 101 HB 0.13 0.07 0.10 -0.04 4.32 4.58 3kvcA1 THR 101 HG23 0.13 0.04 -0.09 -0.04 1.22 1.26 3kvcA1 GLU 102 H 0.28 0.55 0.34 -0.55 8.60 9.23 3kvcA1 GLU 102 HA 0.25 0.15 0.85 -0.75 4.29 4.78 3kvcA1 GLU 102 HB2 0.29 -0.12 0.18 -0.04 2.09 2.40 3kvcA1 GLU 102 HB3 0.15 0.00 0.27 -0.04 1.99 2.38 3kvcA1 GLU 102 HG2 0.29 0.16 -0.05 -0.04 2.34 2.70 3kvcA1 GLU 102 HG3 0.04 0.12 0.08 -0.04 2.34 2.53 3kvcA1 PHE 103 H 0.25 0.28 0.18 -0.55 8.34 8.49 3kvcA1 PHE 103 HA 0.20 0.03 0.46 -0.75 4.62 4.56 3kvcA1 PHE 103 HB2 -0.01 0.11 0.17 -0.04 3.15 3.39 3kvcA1 PHE 103 HB3 0.06 -0.06 0.03 -0.04 3.06 3.04 3kvcA1 PHE 103 HD2 -0.21 -0.04 -0.05 -0.04 7.28 6.94 3kvcA1 PHE 103 HE2 -0.41 0.06 -0.09 -0.04 7.38 6.90 3kvcA1 PHE 103 HZ -0.19 0.02 -0.08 -0.04 7.32 7.04 3kvcA1 GLY 104 H 0.29 0.07 -0.27 -0.55 8.43 7.96 3kvcA1 GLY 104 HA2 -0.03 0.15 0.85 -0.51 4.01 4.48 3kvcA1 GLY 104 HA3 0.10 -0.01 0.26 -0.51 4.01 3.85 3kvcA1 THR 105 H 0.28 0.29 -0.20 -0.55 8.28 8.10 3kvcA1 THR 105 HA 0.39 0.25 0.86 -0.75 4.39 5.14 3kvcA1 THR 105 HB 0.42 -0.06 0.14 -0.04 4.32 4.78 3kvcA1 THR 105 HG23 0.16 0.10 -0.08 -0.04 1.22 1.36 3kvcA1 CYS 106 H 0.19 0.18 0.03 -0.55 8.50 8.35 3kvcA1 CYS 106 HA 0.11 0.00 0.51 -0.75 4.58 4.45 3kvcA1 CYS 106 HB2 0.07 0.00 -0.21 -0.04 2.97 2.79 3kvcA1 CYS 106 HB3 0.08 0.00 -0.01 -0.04 2.97 3.00 3kvcA1 ALA 107 H 0.09 0.12 0.01 -0.55 8.40 8.08 3kvcA1 ALA 107 HA 0.06 0.16 0.18 -0.75 4.34 3.98 3kvcA1 ALA 107 HB3 0.07 0.03 -0.40 -0.04 1.41 1.08 3kvcA1 GLU 127 HA 0.13 -0.10 0.24 -0.75 4.29 3.81 3kvcA1 GLU 127 HB2 0.07 0.00 0.16 -0.04 2.09 2.28 3kvcA1 GLU 127 HB3 0.08 -0.05 -0.05 -0.04 1.99 1.93 3kvcA1 GLU 127 HG2 0.05 -0.02 0.01 -0.04 2.34 2.33 3kvcA1 GLU 127 HG3 0.06 0.01 0.05 -0.04 2.34 2.42 3kvcA1 VAL 128 H 0.26 0.07 0.10 -0.55 8.24 8.13 3kvcA1 VAL 128 HA 0.33 0.08 0.49 -0.75 4.13 4.28 3kvcA1 VAL 128 HB 0.44 -0.05 0.13 -0.04 2.12 2.59 3kvcA1 VAL 128 HG13 0.28 0.03 0.02 -0.04 0.97 1.26 3kvcA1 VAL 128 HG23 0.19 0.03 0.07 -0.04 0.95 1.19 3kvcA1 THR 129 H 0.35 0.15 0.22 -0.55 8.28 8.44 3kvcA1 THR 129 HA 0.15 0.03 0.47 -0.75 4.39 4.28 3kvcA1 THR 129 HB 0.20 0.39 0.23 -0.04 4.32 5.10 3kvcA1 THR 129 HG23 -0.00 -0.02 0.12 -0.04 1.22 1.28 3kvcA1 ASP 130 H 0.06 0.05 0.19 -0.55 8.40 8.15 3kvcA1 ASP 130 HA 0.20 0.27 0.76 -0.75 4.63 5.11 3kvcA1 ASP 130 HB2 0.03 0.06 0.11 -0.04 2.71 2.87 3kvcA1 ASP 130 HB3 -0.29 0.13 0.02 -0.04 2.70 2.51 3kvcA1 ASN 131 H 0.08 0.08 -0.04 -0.55 8.53 8.11 3kvcA1 ASN 131 HA 0.06 -0.01 0.53 -0.75 4.76 4.58 3kvcA1 ASN 131 HB2 0.05 -0.04 0.13 -0.04 2.88 2.98 3kvcA1 ASN 131 HB3 0.05 0.02 0.20 -0.04 2.79 3.02 3kvcA1 ASN 131 HD21 -0.10 0.50 -0.32 -0.04 7.03 7.07 3kvcA1 ASN 131 HD22 -0.04 -0.07 0.02 -0.04 7.74 7.60 3kvcA1 ALA 132 H 0.05 0.18 0.17 -0.55 8.40 8.26 3kvcA1 ALA 132 HA 0.08 0.04 -0.06 -0.75 4.34 3.64 3kvcA1 ALA 132 HB3 0.07 0.02 -0.13 -0.04 1.41 1.32 3kvcA1 LEU 133 H 0.09 0.42 0.06 -0.55 8.37 8.39 3kvcA1 LEU 133 HA 0.09 0.10 0.40 -0.75 4.35 4.18 3kvcA1 LEU 133 HB2 0.14 0.03 -0.27 -0.04 1.64 1.50 3kvcA1 LEU 133 HB3 0.08 -0.09 -0.11 -0.04 1.64 1.48 3kvcA1 LEU 133 HG 0.35 0.03 -0.23 -0.04 1.64 1.74 3kvcA1 LEU 133 HD13 0.26 0.04 -0.15 -0.04 0.93 1.03 3kvcA1 LEU 133 HD23 0.09 -0.03 0.09 -0.04 0.89 1.00 3kvcA1 VAL 134 H 0.14 0.30 -0.12 -0.55 8.24 8.01 3kvcA1 VAL 134 HA 0.43 0.14 0.41 -0.75 4.13 4.35 3kvcA1 VAL 134 HB 0.08 0.11 0.15 -0.04 2.12 2.42 3kvcA1 VAL 134 HG13 0.14 0.00 -0.10 -0.04 0.97 0.97 3kvcA1 VAL 134 HG23 -0.01 -0.05 0.04 -0.04 0.95 0.90 3kvcA1 ASN 135 H 0.14 0.35 0.29 -0.55 8.53 8.77 3kvcA1 ASN 135 HA 0.21 0.16 0.73 -0.75 4.76 5.10 3kvcA1 ASN 135 HB2 0.03 -0.04 -0.24 -0.04 2.88 2.58 3kvcA1 ASN 135 HB3 0.09 0.01 -0.00 -0.04 2.79 2.85 3kvcA1 ASN 135 HD21 -0.00 -0.04 0.13 -0.04 7.03 7.07 3kvcA1 ASN 135 HD22 -0.25 0.58 0.23 -0.04 7.74 8.25 3kvcA1 ILE 136 H 0.17 0.28 0.14 -0.55 8.25 8.30 3kvcA1 ILE 136 HA 0.10 0.29 0.85 -0.75 4.18 4.68 3kvcA1 ILE 136 HB 0.08 -0.00 -0.11 -0.04 1.89 1.82 3kvcA1 ILE 136 HG12 0.21 0.00 -0.26 -0.04 1.49 1.40 3kvcA1 ILE 136 HG13 0.08 0.01 -0.32 -0.04 1.21 0.94 3kvcA1 ILE 136 HG23 0.11 -0.01 -0.10 -0.04 0.93 0.89 3kvcA1 ILE 136 HD13 -0.01 -0.02 -0.20 -0.04 0.88 0.61 3kvcA1 TYR 137 H -0.07 0.61 0.29 -0.55 8.29 8.57 3kvcA1 TYR 137 HA 0.12 0.14 0.50 -0.75 4.56 4.57 3kvcA1 TYR 137 HB2 0.03 0.09 0.05 -0.04 3.06 3.18 3kvcA1 TYR 137 HB3 0.04 0.10 -0.12 -0.04 2.98 2.96 3kvcA1 TYR 137 HD2 0.03 0.10 -0.38 -0.04 7.15 6.85 3kvcA1 TYR 137 HE2 -0.02 -0.03 -0.21 -0.04 6.85 6.55 3kvcA1 PRO 138 HA -0.49 0.22 0.68 -0.51 4.44 4.33 3kvcA1 PRO 138 HB2 -0.24 0.10 -0.03 -0.04 2.28 2.07 3kvcA1 PRO 138 HB3 -0.61 -0.02 0.03 -0.04 2.02 1.37 3kvcA1 PRO 138 HG2 0.05 0.05 0.10 -0.04 2.03 2.18 3kvcA1 PRO 138 HG3 0.06 0.02 0.07 -0.04 2.03 2.13 3kvcA1 PRO 138 HD2 0.19 0.13 0.19 -0.04 3.68 4.15 3kvcA1 PRO 138 HD3 0.18 0.11 0.15 -0.04 3.65 4.04 3kvcA1 VAL 139 H -0.09 0.49 0.08 -0.55 8.24 8.17 3kvcA1 VAL 139 HA 0.04 0.25 0.61 -0.75 4.13 4.27 3kvcA1 VAL 139 HB 0.22 -0.12 0.00 -0.04 2.12 2.18 3kvcA1 VAL 139 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 3kvcA1 VAL 139 HG23 0.04 0.03 -0.27 -0.04 0.95 0.70 3kvcA1 GLY 140 H -0.00 0.27 0.07 -0.55 8.43 8.22 3kvcA1 GLY 140 HA2 -0.01 -0.02 0.39 -0.51 4.01 3.86 3kvcA1 GLY 140 HA3 -0.00 -0.04 0.57 -0.51 4.01 4.03 3kvcA1 GLU 141 H -0.01 0.08 0.23 -0.55 8.60 8.36 3kvcA1 GLU 141 HA -0.02 0.20 0.75 -0.75 4.29 4.46 3kvcA1 GLU 141 HB2 0.00 -0.03 0.11 -0.04 2.09 2.14 3kvcA1 GLU 141 HB3 0.02 -0.01 0.15 -0.04 1.99 2.11 3kvcA1 GLU 141 HG2 0.02 0.05 0.01 -0.04 2.34 2.38 3kvcA1 GLU 141 HG3 0.01 -0.05 -0.02 -0.04 2.34 2.23 3kvcA1 ASP 142 H -0.05 0.48 -0.03 -0.55 8.40 8.25 3kvcA1 ASP 142 HA -0.03 0.12 0.72 -0.75 4.63 4.68 3kvcA1 ASP 142 HB2 0.03 0.11 0.11 -0.04 2.71 2.92 3kvcA1 ASP 142 HB3 -0.27 -0.03 0.11 -0.04 2.70 2.47 3kvcA1 TYR 143 H -0.08 0.23 0.26 -0.55 8.29 8.15 3kvcA1 TYR 143 HA -0.07 0.27 0.71 -0.75 4.56 4.71 3kvcA1 TYR 143 HB2 -0.12 0.06 0.08 -0.04 3.06 3.04 3kvcA1 TYR 143 HB3 -0.08 -0.01 -0.13 -0.04 2.98 2.72 3kvcA1 TYR 143 HD2 -0.03 -0.04 -0.25 -0.04 7.15 6.80 3kvcA1 TYR 143 HE2 0.01 0.01 -0.12 -0.04 6.85 6.71 3kvcA1 TYR 144 H -0.06 0.69 0.24 -0.55 8.29 8.60 3kvcA1 TYR 144 HA -0.09 0.17 0.89 -0.75 4.56 4.78 3kvcA1 TYR 144 HB2 -0.72 0.09 0.01 -0.04 3.06 2.40 3kvcA1 TYR 144 HB3 -0.27 0.03 -0.15 -0.04 2.98 2.55 3kvcA1 TYR 144 HD2 -0.15 0.02 -0.35 -0.04 7.15 6.63 3kvcA1 TYR 144 HE2 -0.05 -0.01 -0.13 -0.04 6.85 6.62 3kvcA1 ALA 145 H 0.01 0.56 0.33 -0.55 8.40 8.75 3kvcA1 ALA 145 HA 0.06 0.34 1.07 -0.75 4.34 5.05 3kvcA1 ALA 145 HB3 0.03 0.02 0.16 -0.04 1.41 1.58 3kvcA1 CYS 146 H 0.10 0.65 0.37 -0.55 8.50 9.08 3kvcA1 CYS 146 HA 0.11 0.06 0.85 -0.75 4.58 4.84 3kvcA1 CYS 146 HB2 0.15 0.14 0.08 -0.04 2.97 3.30 3kvcA1 CYS 146 HB3 0.18 -0.00 -0.32 -0.04 2.97 2.79 3kvcA1 THR 147 H 0.10 0.20 0.05 -0.55 8.28 8.07 3kvcA1 THR 147 HA 0.05 0.11 0.49 -0.75 4.39 4.28 3kvcA1 THR 147 HB 0.06 0.17 0.24 -0.04 4.32 4.75 3kvcA1 THR 147 HG23 0.09 -0.06 -0.13 -0.04 1.22 1.08 3kvcA1 GLU 148 H 0.03 0.07 0.15 -0.55 8.60 8.31 3kvcA1 GLU 148 HA 0.03 0.56 1.01 -0.75 4.29 5.13 3kvcA1 GLU 148 HB2 0.09 -0.06 0.10 -0.04 2.09 2.18 3kvcA1 GLU 148 HB3 0.09 0.05 0.17 -0.04 1.99 2.25 3kvcA1 GLU 148 HG2 -0.03 0.04 -0.14 -0.04 2.34 2.17 3kvcA1 GLU 148 HG3 -0.01 -0.12 -0.14 -0.04 2.34 2.03 3kvcA1 THR 149 H 0.07 0.04 -0.04 -0.55 8.28 7.80 3kvcA1 THR 149 HA 0.05 0.24 0.90 -0.75 4.39 4.83 3kvcA1 THR 149 HB 0.10 -0.09 0.27 -0.04 4.32 4.56 3kvcA1 THR 149 HG23 0.06 -0.00 0.04 -0.04 1.22 1.28 3kvcA1 ASN 150 H -0.08 0.20 0.22 -0.55 8.53 8.32 3kvcA1 ASN 150 HA -0.08 0.15 0.53 -0.75 4.76 4.61 3kvcA1 ASN 150 HB2 -0.28 -0.26 0.11 -0.04 2.88 2.40 3kvcA1 ASN 150 HB3 -0.15 0.25 -0.01 -0.04 2.79 2.83 3kvcA1 ASN 150 HD21 -1.01 0.02 -0.01 -0.04 7.03 5.99 3kvcA1 ASN 150 HD22 -0.71 -0.14 -0.04 -0.04 7.74 6.81 3kvcA1 PHE 151 H 0.05 0.05 -0.21 -0.55 8.34 7.68 3kvcA1 PHE 151 HA 0.06 0.35 1.01 -0.75 4.62 5.29 3kvcA1 PHE 151 HB2 0.07 -0.03 0.16 -0.04 3.15 3.30 3kvcA1 PHE 151 HB3 0.07 0.01 0.02 -0.04 3.06 3.12 3kvcA1 PHE 151 HD2 0.07 0.11 -0.18 -0.04 7.28 7.24 3kvcA1 PHE 151 HE2 0.06 0.01 -0.04 -0.04 7.38 7.37 3kvcA1 PHE 151 HZ 0.05 0.03 -0.02 -0.04 7.32 7.34 3kvcA1 ILE 152 H 0.17 0.50 0.36 -0.55 8.25 8.73 3kvcA1 ILE 152 HA 0.14 0.17 0.80 -0.75 4.18 4.55 3kvcA1 ILE 152 HB 0.08 0.11 0.05 -0.04 1.89 2.09 3kvcA1 ILE 152 HG12 -0.00 0.00 0.03 -0.04 1.49 1.48 3kvcA1 ILE 152 HG13 0.03 -0.09 -0.25 -0.04 1.21 0.86 3kvcA1 ILE 152 HG23 0.09 0.00 -0.18 -0.04 0.93 0.79 3kvcA1 ILE 152 HD13 -0.47 0.01 -0.15 -0.04 0.88 0.22 3kvcA1 THR 153 H 0.16 0.71 0.27 -0.55 8.28 8.87 3kvcA1 THR 153 HA 0.13 0.19 1.05 -0.75 4.39 5.01 3kvcA1 THR 153 HB 0.05 -0.02 0.15 -0.04 4.32 4.46 3kvcA1 THR 153 HG23 0.01 0.01 -0.19 -0.04 1.22 1.01 3kvcA1 LYS 154 H 0.07 0.36 0.31 -0.55 8.42 8.61 3kvcA1 LYS 154 HA -0.60 0.27 0.81 -0.75 4.32 4.05 3kvcA1 LYS 154 HB2 -0.20 -0.01 0.11 -0.04 1.87 1.72 3kvcA1 LYS 154 HB3 -0.12 -0.21 0.15 -0.04 1.79 1.58 3kvcA1 LYS 154 HG2 -0.31 0.13 0.06 -0.04 1.46 1.29 3kvcA1 LYS 154 HG3 -0.83 0.01 0.05 -0.04 1.46 0.65 3kvcA1 LYS 154 HD2 -0.09 -0.07 -0.06 -0.04 1.69 1.43 3kvcA1 LYS 154 HD3 -0.12 0.02 -0.04 -0.04 1.68 1.51 3kvcA1 LYS 154 HE2 -0.09 0.00 -0.02 -0.04 2.99 2.84 3kvcA1 LYS 154 HE3 0.02 -0.02 -0.05 -0.04 2.99 2.90 3kvcA1 VAL 155 H -0.21 0.74 0.45 -0.55 8.24 8.67 3kvcA1 VAL 155 HA -0.08 0.07 0.98 -0.75 4.13 4.35 3kvcA1 VAL 155 HB -0.08 0.09 -0.10 -0.04 2.12 1.98 3kvcA1 VAL 155 HG13 -0.05 0.02 -0.25 -0.04 0.97 0.65 3kvcA1 VAL 155 HG23 -0.06 0.00 -0.20 -0.04 0.95 0.66 3kvcA1 ASN 156 H -0.07 0.72 0.17 -0.55 8.53 8.80 3kvcA1 ASN 156 HA -0.05 0.20 0.77 -0.75 4.76 4.93 3kvcA1 ASN 156 HB2 -0.05 0.09 0.04 -0.04 2.88 2.92 3kvcA1 ASN 156 HB3 -0.06 -0.15 0.21 -0.04 2.79 2.75 3kvcA1 ASN 156 HD21 -0.03 0.04 -0.00 -0.04 7.03 7.00 3kvcA1 ASN 156 HD22 -0.03 0.06 -0.01 -0.04 7.74 7.72 3kvcA1 PRO 157 HA -0.19 0.14 0.22 -0.51 4.44 4.10 3kvcA1 PRO 157 HB2 -0.38 0.05 -0.05 -0.04 2.28 1.87 3kvcA1 PRO 157 HB3 -0.65 0.05 -0.01 -0.04 2.02 1.37 3kvcA1 PRO 157 HG2 -0.13 0.00 0.00 -0.04 2.03 1.86 3kvcA1 PRO 157 HG3 -0.21 0.12 0.02 -0.04 2.03 1.92 3kvcA1 PRO 157 HD2 -0.04 0.03 0.27 -0.04 3.68 3.89 3kvcA1 PRO 157 HD3 -0.03 0.34 0.27 -0.04 3.65 4.19 3kvcA1 GLU 158 H -0.08 -0.02 -0.34 -0.55 8.60 7.61 3kvcA1 GLU 158 HA -0.08 0.21 0.62 -0.75 4.29 4.29 3kvcA1 GLU 158 HB2 -0.05 -0.08 0.04 -0.04 2.09 1.95 3kvcA1 GLU 158 HB3 -0.05 0.04 -0.08 -0.04 1.99 1.86 3kvcA1 GLU 158 HG2 -0.04 0.01 -0.04 -0.04 2.34 2.23 3kvcA1 GLU 158 HG3 -0.06 0.06 -0.08 -0.04 2.34 2.22 3kvcA1 THR 159 H -0.05 -0.05 -0.08 -0.55 8.28 7.55 3kvcA1 THR 159 HA 0.00 0.25 0.62 -0.75 4.39 4.51 3kvcA1 THR 159 HB -0.01 0.08 0.06 -0.04 4.32 4.40 3kvcA1 THR 159 HG23 -0.03 -0.00 -0.07 -0.04 1.22 1.07 3kvcA1 LEU 160 H -0.07 0.32 -0.07 -0.55 8.37 8.00 3kvcA1 LEU 160 HA -0.12 0.12 0.19 -0.75 4.35 3.79 3kvcA1 LEU 160 HB2 -0.26 0.15 0.10 -0.04 1.64 1.58 3kvcA1 LEU 160 HB3 -0.23 -0.03 0.04 -0.04 1.64 1.38 3kvcA1 LEU 160 HG -0.11 0.03 -0.64 -0.04 1.64 0.88 3kvcA1 LEU 160 HD13 -0.47 0.01 -0.35 -0.04 0.93 0.08 3kvcA1 LEU 160 HD23 -0.13 -0.01 -0.31 -0.04 0.89 0.40 3kvcA1 GLU 161 H -0.05 -0.10 -0.32 -0.55 8.60 7.58 3kvcA1 GLU 161 HA -0.05 0.14 0.49 -0.75 4.29 4.11 3kvcA1 GLU 161 HB2 -0.03 -0.11 -0.00 -0.04 2.09 1.90 3kvcA1 GLU 161 HB3 -0.03 0.10 0.02 -0.04 1.99 2.03 3kvcA1 GLU 161 HG2 -0.02 0.05 -0.00 -0.04 2.34 2.33 3kvcA1 GLU 161 HG3 -0.02 0.05 -0.12 -0.04 2.34 2.21 3kvcA1 THR 162 H -0.04 0.15 0.19 -0.55 8.28 8.04 3kvcA1 THR 162 HA -0.05 0.14 0.82 -0.75 4.39 4.54 3kvcA1 THR 162 HB -0.01 0.03 0.17 -0.04 4.32 4.46 3kvcA1 THR 162 HG23 -0.01 0.05 -0.24 -0.04 1.22 0.98 3kvcA1 ILE 163 H -0.04 0.70 0.30 -0.55 8.25 8.66 3kvcA1 ILE 163 HA -0.02 0.16 0.65 -0.75 4.18 4.22 3kvcA1 ILE 163 HB -0.06 -0.02 -0.05 -0.04 1.89 1.71 3kvcA1 ILE 163 HG12 -0.03 0.01 -0.19 -0.04 1.49 1.23 3kvcA1 ILE 163 HG13 -0.05 -0.03 -0.29 -0.04 1.21 0.80 3kvcA1 ILE 163 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.70 3kvcA1 ILE 163 HD13 -0.06 -0.00 -0.24 -0.04 0.88 0.53 3kvcA1 LYS 164 H -0.01 0.32 0.28 -0.55 8.42 8.46 3kvcA1 LYS 164 HA 0.03 0.14 0.45 -0.75 4.32 4.18 3kvcA1 LYS 164 HB2 0.06 0.00 0.16 -0.04 1.87 2.04 3kvcA1 LYS 164 HB3 0.03 0.14 -0.09 -0.04 1.79 1.82 3kvcA1 LYS 164 HG2 0.03 -0.06 -0.13 -0.04 1.46 1.26 3kvcA1 LYS 164 HG3 0.10 -0.06 -0.41 -0.04 1.46 1.06 3kvcA1 LYS 164 HD2 0.10 0.09 -0.07 -0.04 1.69 1.77 3kvcA1 LYS 164 HD3 0.06 0.02 -0.06 -0.04 1.68 1.66 3kvcA1 LYS 164 HE2 0.07 -0.02 -0.07 -0.04 2.99 2.93 3kvcA1 LYS 164 HE3 0.16 -0.03 -0.11 -0.04 2.99 2.97 3kvcA1 GLN 165 H 0.06 0.21 0.20 -0.55 8.47 8.39 3kvcA1 GLN 165 HA 0.12 0.20 0.93 -0.75 4.36 4.86 3kvcA1 GLN 165 HB2 0.02 -0.03 0.04 -0.04 2.15 2.14 3kvcA1 GLN 165 HB3 0.05 0.00 0.12 -0.04 2.02 2.15 3kvcA1 GLN 165 HG2 0.20 0.11 -0.10 -0.04 2.40 2.57 3kvcA1 GLN 165 HG3 0.02 -0.03 0.00 -0.04 2.39 2.34 3kvcA1 GLN 165 HE21 -0.57 0.02 0.00 -0.04 6.97 6.38 3kvcA1 GLN 165 HE22 -0.29 -0.11 0.03 -0.04 7.69 7.27 3kvcA1 VAL 166 H 0.21 0.83 0.43 -0.55 8.24 9.15 3kvcA1 VAL 166 HA 0.20 0.15 0.93 -0.75 4.13 4.66 3kvcA1 VAL 166 HB 0.15 0.04 0.08 -0.04 2.12 2.34 3kvcA1 VAL 166 HG13 0.12 -0.01 -0.25 -0.04 0.97 0.79 3kvcA1 VAL 166 HG23 0.22 -0.01 -0.15 -0.04 0.95 0.98 3kvcA1 ASP 167 H 0.20 0.21 0.09 -0.55 8.40 8.35 3kvcA1 ASP 167 HA 0.02 0.26 0.91 -0.75 4.63 5.07 3kvcA1 ASP 167 HB2 0.31 0.02 0.01 -0.04 2.71 3.01 3kvcA1 ASP 167 HB3 0.07 0.01 0.17 -0.04 2.70 2.91 3kvcA1 LEU 168 H -0.03 0.96 0.29 -0.55 8.37 9.04 3kvcA1 LEU 168 HA 0.18 0.03 0.28 -0.75 4.35 4.09 3kvcA1 LEU 168 HB2 -0.03 0.00 0.05 -0.04 1.64 1.62 3kvcA1 LEU 168 HB3 0.02 -0.01 -0.05 -0.04 1.64 1.56 3kvcA1 LEU 168 HG 0.00 0.14 -0.03 -0.04 1.64 1.71 3kvcA1 LEU 168 HD13 0.00 0.01 -0.18 -0.04 0.93 0.72 3kvcA1 LEU 168 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.66 3kvcA1 CYS 169 H -0.09 0.04 -0.25 -0.55 8.50 7.65 3kvcA1 CYS 169 HA -0.02 0.30 0.53 -0.75 4.58 4.64 3kvcA1 CYS 169 HB2 -0.09 -0.10 -0.02 -0.04 2.97 2.72 3kvcA1 CYS 169 HB3 -0.04 0.03 0.00 -0.04 2.97 2.91 3kvcA1 ASN 170 H -0.08 0.35 -0.29 -0.55 8.53 7.96 3kvcA1 ASN 170 HA -0.17 0.04 0.54 -0.75 4.76 4.42 3kvcA1 ASN 170 HB2 -0.48 0.18 0.14 -0.04 2.88 2.67 3kvcA1 ASN 170 HB3 -0.63 -0.02 0.02 -0.04 2.79 2.13 3kvcA1 ASN 170 HD21 -0.02 -0.04 0.04 -0.04 7.03 6.97 3kvcA1 ASN 170 HD22 -0.12 -0.01 0.06 -0.04 7.74 7.63 3kvcA1 TYR 171 H 0.04 0.32 -0.29 -0.55 8.29 7.82 3kvcA1 TYR 171 HA -0.01 0.18 0.69 -0.75 4.56 4.67 3kvcA1 TYR 171 HB2 -0.03 0.00 0.03 -0.04 3.06 3.03 3kvcA1 TYR 171 HB3 -0.02 0.10 0.01 -0.04 2.98 3.03 3kvcA1 TYR 171 HD2 -0.01 0.08 -0.06 -0.04 7.15 7.11 3kvcA1 TYR 171 HE2 0.01 -0.07 -0.10 -0.04 6.85 6.65 3kvcA1 VAL 172 H 0.07 0.49 0.18 -0.55 8.24 8.43 3kvcA1 VAL 172 HA 0.03 0.21 0.78 -0.75 4.13 4.39 3kvcA1 VAL 172 HB 0.01 -0.09 -0.22 -0.04 2.12 1.78 3kvcA1 VAL 172 HG13 0.02 0.01 -0.42 -0.04 0.97 0.54 3kvcA1 VAL 172 HG23 0.03 -0.02 -0.22 -0.04 0.95 0.70 3kvcA1 SER 173 H 0.01 0.14 -0.00 -0.55 8.46 8.06 3kvcA1 SER 173 HA 0.02 0.17 0.45 -0.75 4.49 4.37 3kvcA1 SER 173 HB2 0.01 0.05 0.06 -0.04 3.95 4.03 3kvcA1 SER 173 HB3 0.00 -0.03 0.16 -0.04 3.93 4.02 3kvcA1 VAL 174 H -0.00 0.52 -0.01 -0.55 8.24 8.21 3kvcA1 VAL 174 HA -0.04 0.12 0.68 -0.75 4.13 4.13 3kvcA1 VAL 174 HB -0.04 0.07 0.06 -0.04 2.12 2.17 3kvcA1 VAL 174 HG13 -0.04 -0.02 -0.28 -0.04 0.97 0.59 3kvcA1 VAL 174 HG23 -0.02 -0.02 -0.32 -0.04 0.95 0.55 3kvcA1 ASN 175 H -0.07 0.69 0.31 -0.55 8.53 8.92 3kvcA1 ASN 175 HA 0.01 0.09 0.73 -0.75 4.76 4.84 3kvcA1 ASN 175 HB2 -0.07 0.03 0.03 -0.04 2.88 2.82 3kvcA1 ASN 175 HB3 0.01 -0.02 0.06 -0.04 2.79 2.79 3kvcA1 ASN 175 HD21 -1.10 -0.02 -0.16 -0.04 7.03 5.71 3kvcA1 ASN 175 HD22 -0.35 0.03 -0.16 -0.04 7.74 7.22 3kvcA1 GLY 176 H -0.03 0.27 0.10 -0.55 8.43 8.22 3kvcA1 GLY 176 HA2 -0.02 -0.00 0.00 -0.51 4.01 3.48 3kvcA1 GLY 176 HA3 0.02 0.12 0.30 -0.51 4.01 3.94 3kvcA1 ALA 177 H 0.01 0.42 -0.13 -0.55 8.40 8.15 3kvcA1 ALA 177 HA -0.03 0.20 0.58 -0.75 4.34 4.33 3kvcA1 ALA 177 HB3 -0.01 -0.00 -0.13 -0.04 1.41 1.22 3kvcA1 THR 178 H -0.04 0.23 0.20 -0.55 8.28 8.13 3kvcA1 THR 178 HA -0.05 0.05 0.35 -0.75 4.39 3.99 3kvcA1 THR 178 HB -0.08 0.21 0.09 -0.04 4.32 4.50 3kvcA1 THR 178 HG23 -0.02 0.09 -0.14 -0.04 1.22 1.11 3kvcA1 ALA 179 H -0.20 0.13 0.15 -0.55 8.40 7.94 3kvcA1 ALA 179 HA -0.06 0.17 0.65 -0.75 4.34 4.35 3kvcA1 ALA 179 HB3 -0.20 -0.01 0.00 -0.04 1.41 1.16 3kvcA1 HIS 180 H -0.10 -0.02 -0.43 -0.55 8.41 7.32 3kvcA1 HIS 180 HA -0.19 0.25 0.80 -0.75 4.63 4.73 3kvcA1 HIS 180 HB2 -0.10 0.01 0.29 -0.04 3.26 3.42 3kvcA1 HIS 180 HB3 -0.19 -0.01 0.22 -0.04 3.20 3.18 3kvcA1 HIS 180 HD2 -0.24 0.06 0.10 -0.04 6.97 6.84 3kvcA1 HIS 180 HE1 0.64 -0.08 -0.05 -0.04 7.75 8.22 3kvcA1 PRO 181 HA 0.13 0.08 0.73 -0.51 4.44 4.87 3kvcA1 PRO 181 HB2 -0.22 0.07 -0.12 -0.04 2.28 1.98 3kvcA1 PRO 181 HB3 -0.30 -0.06 -0.04 -0.04 2.02 1.58 3kvcA1 PRO 181 HG2 -0.63 0.03 -0.11 -0.04 2.03 1.27 3kvcA1 PRO 181 HG3 -2.15 0.00 -0.14 -0.04 2.03 -0.30 3kvcA1 PRO 181 HD2 -0.35 0.21 -0.24 -0.04 3.68 3.26 3kvcA1 PRO 181 HD3 -0.42 0.12 -0.27 -0.04 3.65 3.03 3kvcA1 HIS 182 H 0.24 0.30 0.28 -0.55 8.41 8.69 3kvcA1 HIS 182 HA 0.05 0.14 0.83 -0.75 4.63 4.89 3kvcA1 HIS 182 HB2 0.06 -0.05 0.10 -0.04 3.26 3.34 3kvcA1 HIS 182 HB3 0.10 0.00 -0.11 -0.04 3.20 3.14 3kvcA1 HIS 182 HD2 -1.74 -0.06 -0.20 -0.04 6.97 4.93 3kvcA1 HIS 182 HE1 0.04 -0.03 0.06 -0.04 7.75 7.77 3kvcA1 ILE 183 H 0.32 0.20 0.10 -0.55 8.25 8.32 3kvcA1 ILE 183 HA 0.18 0.30 0.94 -0.75 4.18 4.84 3kvcA1 ILE 183 HB 0.20 -0.07 0.12 -0.04 1.89 2.10 3kvcA1 ILE 183 HG12 0.02 -0.01 -0.15 -0.04 1.49 1.31 3kvcA1 ILE 183 HG13 0.08 -0.01 -0.01 -0.04 1.21 1.24 3kvcA1 ILE 183 HG23 0.12 0.06 -0.11 -0.04 0.93 0.95 3kvcA1 ILE 183 HD13 0.05 0.05 -0.25 -0.04 0.88 0.70 3kvcA1 GLU 184 H 0.19 0.71 0.16 -0.55 8.60 9.11 3kvcA1 GLU 184 HA 0.10 0.16 0.65 -0.75 4.29 4.44 3kvcA1 GLU 184 HB2 0.14 -0.00 0.12 -0.04 2.09 2.31 3kvcA1 GLU 184 HB3 0.08 -0.13 0.11 -0.04 1.99 2.02 3kvcA1 GLU 184 HG2 0.06 0.04 -0.04 -0.04 2.34 2.37 3kvcA1 GLU 184 HG3 0.23 0.05 -0.13 -0.04 2.34 2.46 3kvcA1 ASN 185 H 0.04 0.17 0.17 -0.55 8.53 8.36 3kvcA1 ASN 185 HA 0.08 0.14 0.37 -0.75 4.76 4.59 3kvcA1 ASN 185 HB2 0.02 -0.07 0.17 -0.04 2.88 2.96 3kvcA1 ASN 185 HB3 0.03 0.01 0.07 -0.04 2.79 2.86 3kvcA1 ASN 185 HD21 -0.03 0.20 0.15 -0.04 7.03 7.30 3kvcA1 ASN 185 HD22 -0.02 -0.09 0.09 -0.04 7.74 7.68 3kvcA1 ASP 186 H 0.05 0.01 -0.24 -0.55 8.40 7.67 3kvcA1 ASP 186 HA 0.03 0.18 0.63 -0.75 4.63 4.72 3kvcA1 ASP 186 HB2 0.02 0.03 0.15 -0.04 2.71 2.87 3kvcA1 ASP 186 HB3 0.03 -0.01 0.07 -0.04 2.70 2.75 3kvcA1 GLY 187 H 0.07 0.63 -0.40 -0.55 8.43 8.19 3kvcA1 GLY 187 HA2 0.06 0.09 0.25 -0.51 4.01 3.90 3kvcA1 GLY 187 HA3 0.03 0.08 0.73 -0.51 4.01 4.35 3kvcA1 THR 188 H 0.05 -0.08 -0.28 -0.55 8.28 7.43 3kvcA1 THR 188 HA -0.01 0.24 0.45 -0.75 4.39 4.32 3kvcA1 THR 188 HB 0.11 -0.15 0.03 -0.04 4.32 4.26 3kvcA1 THR 188 HG23 -0.16 0.02 -0.24 -0.04 1.22 0.79 3kvcA1 VAL 189 H -0.06 0.67 0.34 -0.55 8.24 8.64 3kvcA1 VAL 189 HA 0.11 0.29 0.92 -0.75 4.13 4.70 3kvcA1 VAL 189 HB -0.00 -0.14 0.14 -0.04 2.12 2.07 3kvcA1 VAL 189 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.74 3kvcA1 VAL 189 HG23 0.08 0.05 -0.02 -0.04 0.95 1.02 3kvcA1 TYR 190 H 0.32 0.67 0.35 -0.55 8.29 9.08 3kvcA1 TYR 190 HA 0.08 0.38 1.08 -0.75 4.56 5.35 3kvcA1 TYR 190 HB2 0.31 -0.04 0.11 -0.04 3.06 3.39 3kvcA1 TYR 190 HB3 0.31 -0.01 -0.03 -0.04 2.98 3.21 3kvcA1 TYR 190 HD2 0.10 0.02 -0.17 -0.04 7.15 7.05 3kvcA1 TYR 190 HE2 0.04 -0.02 -0.13 -0.04 6.85 6.69 3kvcA1 ASN 191 H 0.08 0.60 0.35 -0.55 8.53 9.01 3kvcA1 ASN 191 HA 0.14 0.13 0.66 -0.75 4.76 4.93 3kvcA1 ASN 191 HB2 -0.01 0.03 -0.27 -0.04 2.88 2.58 3kvcA1 ASN 191 HB3 -0.04 -0.02 -0.09 -0.04 2.79 2.60 3kvcA1 ASN 191 HD21 -0.07 0.62 -0.09 -0.04 7.03 7.46 3kvcA1 ASN 191 HD22 -0.07 -0.06 -0.13 -0.04 7.74 7.44 3kvcA1 ILE 192 H -0.20 0.20 0.17 -0.55 8.25 7.87 3kvcA1 ILE 192 HA -0.22 0.37 0.94 -0.75 4.18 4.51 3kvcA1 ILE 192 HB -0.80 -0.00 -0.18 -0.04 1.89 0.87 3kvcA1 ILE 192 HG12 -0.29 -0.02 -0.21 -0.04 1.49 0.92 3kvcA1 ILE 192 HG13 -0.24 0.09 -0.19 -0.04 1.21 0.83 3kvcA1 ILE 192 HG23 -0.24 -0.01 -0.17 -0.04 0.93 0.48 3kvcA1 ILE 192 HD13 -0.72 -0.01 -0.18 -0.04 0.88 -0.07 3kvcA1 GLY 193 H -0.11 0.54 0.32 -0.55 8.43 8.64 3kvcA1 GLY 193 HA2 -0.05 0.04 0.53 -0.51 4.01 4.02 3kvcA1 GLY 193 HA3 -0.06 0.35 0.45 -0.51 4.01 4.24 3kvcA1 ASN 194 H -0.04 0.11 0.16 -0.55 8.53 8.22 3kvcA1 ASN 194 HA -0.20 0.25 1.07 -0.75 4.76 5.13 3kvcA1 ASN 194 HB2 -0.36 0.08 0.22 -0.04 2.88 2.79 3kvcA1 ASN 194 HB3 -0.14 0.04 0.13 -0.04 2.79 2.78 3kvcA1 ASN 194 HD21 -0.00 -0.00 -0.02 -0.04 7.03 6.97 3kvcA1 ASN 194 HD22 0.01 0.07 0.03 -0.04 7.74 7.81 3kvcA1 CYS 195 H -0.34 0.62 0.44 -0.55 8.50 8.68 3kvcA1 CYS 195 HA -0.24 0.00 0.70 -0.75 4.58 4.29 3kvcA1 CYS 195 HB2 -0.05 0.00 0.06 -0.04 2.97 2.93 3kvcA1 CYS 195 HB3 -0.10 0.00 -0.24 -0.04 2.97 2.59 3kvcA1 PHE 196 H 0.07 0.21 0.05 -0.55 8.34 8.11 3kvcA1 PHE 196 HA -0.05 0.31 0.83 -0.75 4.62 4.96 3kvcA1 PHE 196 HB2 -0.03 -0.03 0.10 -0.04 3.15 3.16 3kvcA1 PHE 196 HB3 -0.02 0.09 0.21 -0.04 3.06 3.30 3kvcA1 PHE 196 HD2 -0.01 0.05 -0.03 -0.04 7.28 7.24 3kvcA1 PHE 196 HE2 -0.01 0.01 -0.05 -0.04 7.38 7.29 3kvcA1 PHE 196 HZ -0.02 0.01 -0.05 -0.04 7.32 7.22 3kvcA1 GLY 197 H -0.05 -0.03 -0.50 -0.55 8.43 7.30 3kvcA1 GLY 197 HA2 0.01 0.06 0.29 -0.51 4.01 3.86 3kvcA1 GLY 197 HA3 -0.04 -0.02 0.07 -0.51 4.01 3.51 3kvcA1 SER 201 HA -0.08 -0.02 0.26 -0.75 4.49 3.91 3kvcA1 SER 201 HB2 -0.04 -0.06 0.28 -0.04 3.95 4.09 3kvcA1 SER 201 HB3 -0.04 0.02 -0.13 -0.04 3.93 3.74 3kvcA1 ILE 202 H -0.11 0.55 0.20 -0.55 8.25 8.34 3kvcA1 ILE 202 HA -0.22 0.14 0.74 -0.75 4.18 4.09 3kvcA1 ILE 202 HB -0.19 0.07 -0.03 -0.04 1.89 1.70 3kvcA1 ILE 202 HG12 -0.03 0.03 0.05 -0.04 1.49 1.49 3kvcA1 ILE 202 HG13 -0.08 -0.07 -0.21 -0.04 1.21 0.80 3kvcA1 ILE 202 HG23 -0.41 -0.04 -0.12 -0.04 0.93 0.32 3kvcA1 ILE 202 HD13 -0.35 -0.00 -0.03 -0.04 0.88 0.46 3kvcA1 ALA 203 H -0.30 0.48 0.34 -0.55 8.40 8.37 3kvcA1 ALA 203 HA -0.32 0.11 0.34 -0.75 4.34 3.72 3kvcA1 ALA 203 HB3 -0.12 0.02 -0.03 -0.04 1.41 1.24 3kvcA1 TYR 204 H -0.01 0.73 0.25 -0.55 8.29 8.71 3kvcA1 TYR 204 HA -0.18 0.19 1.06 -0.75 4.56 4.88 3kvcA1 TYR 204 HB2 -0.29 -0.06 0.05 -0.04 3.06 2.71 3kvcA1 TYR 204 HB3 -0.42 0.01 -0.08 -0.04 2.98 2.44 3kvcA1 TYR 204 HD2 -0.19 0.07 -0.22 -0.04 7.15 6.77 3kvcA1 TYR 204 HE2 0.02 0.13 -0.01 -0.04 6.85 6.95 3kvcA1 ASN 205 H -0.05 0.68 0.31 -0.55 8.53 8.92 3kvcA1 ASN 205 HA -0.04 0.20 0.98 -0.75 4.76 5.14 3kvcA1 ASN 205 HB2 -0.05 0.02 0.04 -0.04 2.88 2.85 3kvcA1 ASN 205 HB3 -0.04 0.03 -0.17 -0.04 2.79 2.57 3kvcA1 ASN 205 HD21 -0.05 -0.02 -0.16 -0.04 7.03 6.76 3kvcA1 ASN 205 HD22 -0.06 0.10 -0.18 -0.04 7.74 7.57 3kvcA1 ILE 206 H -0.04 0.69 0.38 -0.55 8.25 8.73 3kvcA1 ILE 206 HA -0.09 0.28 1.08 -0.75 4.18 4.69 3kvcA1 ILE 206 HB 0.03 -0.16 0.18 -0.04 1.89 1.90 3kvcA1 ILE 206 HG12 0.06 0.01 -0.12 -0.04 1.49 1.39 3kvcA1 ILE 206 HG13 0.14 -0.04 -0.12 -0.04 1.21 1.14 3kvcA1 ILE 206 HG23 0.17 0.03 -0.17 -0.04 0.93 0.92 3kvcA1 ILE 206 HD13 -0.12 0.01 -0.15 -0.04 0.88 0.57 3kvcA1 VAL 207 H -0.04 0.61 0.27 -0.55 8.24 8.53 3kvcA1 VAL 207 HA -0.03 0.25 0.88 -0.75 4.13 4.47 3kvcA1 VAL 207 HB -0.04 -0.07 -0.06 -0.04 2.12 1.91 3kvcA1 VAL 207 HG13 -0.05 0.00 -0.34 -0.04 0.97 0.54 3kvcA1 VAL 207 HG23 -0.03 -0.00 -0.33 -0.04 0.95 0.55 3kvcA1 LYS 208 H -0.09 0.69 0.36 -0.55 8.42 8.83 3kvcA1 LYS 208 HA -0.36 0.37 1.08 -0.75 4.32 4.66 3kvcA1 LYS 208 HB2 -0.39 -0.05 -0.04 -0.04 1.87 1.35 3kvcA1 LYS 208 HB3 -0.17 -0.00 0.11 -0.04 1.79 1.68 3kvcA1 LYS 208 HG2 -0.24 -0.02 -0.33 -0.04 1.46 0.83 3kvcA1 LYS 208 HG3 -0.68 0.07 -0.08 -0.04 1.46 0.72 3kvcA1 LYS 208 HD2 -0.20 -0.05 -0.11 -0.04 1.69 1.29 3kvcA1 LYS 208 HD3 -0.26 -0.01 -0.08 -0.04 1.68 1.29 3kvcA1 LYS 208 HE2 -0.08 0.01 -0.07 -0.04 2.99 2.82 3kvcA1 LYS 208 HE3 -0.08 -0.00 -0.10 -0.04 2.99 2.76 3kvcA1 ILE 209 H -0.17 0.81 0.30 -0.55 8.25 8.64 3kvcA1 ILE 209 HA -0.09 0.23 0.81 -0.75 4.18 4.38 3kvcA1 ILE 209 HB -0.05 -0.04 0.12 -0.04 1.89 1.89 3kvcA1 ILE 209 HG12 -0.10 0.02 -0.12 -0.04 1.49 1.25 3kvcA1 ILE 209 HG13 -0.08 -0.06 -0.38 -0.04 1.21 0.65 3kvcA1 ILE 209 HG23 -0.08 0.06 -0.31 -0.04 0.93 0.56 3kvcA1 ILE 209 HD13 -0.05 -0.02 -0.16 -0.04 0.88 0.61 3kvcA1 PRO 210 HA -0.06 0.03 0.32 -0.51 4.44 4.22 3kvcA1 PRO 210 HB2 -0.03 0.14 0.01 -0.04 2.28 2.36 3kvcA1 PRO 210 HB3 -0.04 -0.02 0.05 -0.04 2.02 1.97 3kvcA1 PRO 210 HG2 -0.04 -0.05 0.03 -0.04 2.03 1.93 3kvcA1 PRO 210 HG3 -0.04 0.06 0.03 -0.04 2.03 2.05 3kvcA1 PRO 210 HD2 -0.07 0.16 -0.01 -0.04 3.68 3.72 3kvcA1 PRO 210 HD3 -0.07 0.24 -0.04 -0.04 3.65 3.74 3kvcA1 PRO 211 HA -0.00 0.10 0.53 -0.51 4.44 4.56 3kvcA1 PRO 211 HB2 0.01 0.07 -0.06 -0.04 2.28 2.25 3kvcA1 PRO 211 HB3 0.01 0.40 0.15 -0.04 2.02 2.54 3kvcA1 PRO 211 HG2 0.01 0.00 0.01 -0.04 2.03 2.01 3kvcA1 PRO 211 HG3 0.01 -0.12 -0.10 -0.04 2.03 1.78 3kvcA1 PRO 211 HD2 -0.01 0.07 0.10 -0.04 3.68 3.80 3kvcA1 PRO 211 HD3 -0.02 0.07 0.14 -0.04 3.65 3.80 3kvcA1 LEU 212 H 0.00 0.09 0.16 -0.55 8.37 8.08 3kvcA1 LEU 212 HA -0.00 0.05 0.52 -0.75 4.35 4.16 3kvcA1 LEU 212 HB2 -0.00 -0.13 0.18 -0.04 1.64 1.65 3kvcA1 LEU 212 HB3 0.00 0.03 0.11 -0.04 1.64 1.74 3kvcA1 LEU 212 HG 0.00 0.21 -0.11 -0.04 1.64 1.70 3kvcA1 LEU 212 HD13 0.00 -0.02 0.03 -0.04 0.93 0.90 3kvcA1 LEU 212 HD23 0.01 -0.03 -0.01 -0.04 0.89 0.82 3kvcA1 GLN 213 H -0.00 0.08 0.16 -0.55 8.47 8.16 3kvcA1 GLN 213 HA 0.00 0.24 0.74 -0.75 4.36 4.59 3kvcA1 GLN 213 HB2 -0.00 -0.10 0.08 -0.04 2.15 2.09 3kvcA1 GLN 213 HB3 0.00 -0.12 0.16 -0.04 2.02 2.03 3kvcA1 GLN 213 HG2 -0.01 0.21 -0.06 -0.04 2.40 2.50 3kvcA1 GLN 213 HG3 -0.00 -0.01 -0.00 -0.04 2.39 2.34 3kvcA1 GLN 213 HE21 -0.00 -0.05 -0.09 -0.04 6.97 6.79 3kvcA1 GLN 213 HE22 -0.01 0.29 -0.20 -0.04 7.69 7.73 3kvcA1 ALA 214 H 0.00 0.14 0.13 -0.55 8.40 8.13 3kvcA1 ALA 214 HA 0.01 0.14 0.31 -0.75 4.34 4.04 3kvcA1 ALA 214 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 3kvcA1 ASP 215 H 0.00 0.03 -0.09 -0.55 8.40 7.79 3kvcA1 ASP 215 HA 0.01 0.09 0.48 -0.75 4.63 4.45 3kvcA1 ASP 215 HB2 0.01 0.02 -0.04 -0.04 2.71 2.65 3kvcA1 ASP 215 HB3 0.01 0.03 0.08 -0.04 2.70 2.77 3kvcA1 LYS 216 H 0.00 0.10 -0.39 -0.55 8.42 7.58 3kvcA1 LYS 216 HA 0.00 0.05 0.25 -0.75 4.32 3.87 3kvcA1 LYS 216 HB2 0.01 0.13 0.24 -0.04 1.87 2.21 3kvcA1 LYS 216 HB3 0.01 -0.10 0.14 -0.04 1.79 1.80 3kvcA1 LYS 216 HG2 0.01 0.22 -0.70 -0.04 1.46 0.95 3kvcA1 LYS 216 HG3 0.01 -0.07 -0.12 -0.04 1.46 1.24 3kvcA1 LYS 216 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.60 3kvcA1 LYS 216 HD3 0.01 0.02 -0.05 -0.04 1.68 1.61 3kvcA1 LYS 216 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 3kvcA1 LYS 216 HE3 0.01 -0.05 -0.00 -0.04 2.99 2.90 3kvcA1 GLU 217 H 0.00 -0.08 -0.29 -0.55 8.60 7.69 3kvcA1 GLU 217 HA 0.01 0.14 0.62 -0.75 4.29 4.31 3kvcA1 GLU 217 HB2 0.01 -0.02 0.05 -0.04 2.09 2.09 3kvcA1 GLU 217 HB3 0.01 0.02 -0.02 -0.04 1.99 1.96 3kvcA1 GLU 217 HG2 0.00 -0.13 -0.07 -0.04 2.34 2.10 3kvcA1 GLU 217 HG3 0.00 0.11 -0.24 -0.04 2.34 2.17 3kvcA1 ASP 218 H 0.01 0.10 0.09 -0.55 8.40 8.05 3kvcA1 ASP 218 HA -0.00 0.14 0.26 -0.75 4.63 4.28 3kvcA1 ASP 218 HB2 0.02 0.07 0.13 -0.04 2.71 2.89 3kvcA1 ASP 218 HB3 -0.01 -0.05 0.15 -0.04 2.70 2.75 3kvcA1 PRO 219 HA -0.04 0.12 0.38 -0.51 4.44 4.39 3kvcA1 PRO 219 HB2 -0.04 -0.04 -0.09 -0.04 2.28 2.06 3kvcA1 PRO 219 HB3 -0.04 0.39 -0.07 -0.04 2.02 2.26 3kvcA1 PRO 219 HG2 -0.01 -0.07 -0.04 -0.04 2.03 1.88 3kvcA1 PRO 219 HG3 -0.01 0.04 -0.06 -0.04 2.03 1.96 3kvcA1 PRO 219 HD2 -0.00 0.02 0.11 -0.04 3.68 3.77 3kvcA1 PRO 219 HD3 -0.00 0.24 0.11 -0.04 3.65 3.96 3kvcA1 ILE 220 H -0.13 0.06 -0.34 -0.55 8.25 7.29 3kvcA1 ILE 220 HA -0.25 0.12 0.33 -0.75 4.18 3.63 3kvcA1 ILE 220 HB -0.38 -0.05 -0.03 -0.04 1.89 1.39 3kvcA1 ILE 220 HG12 -0.28 0.06 -0.09 -0.04 1.49 1.14 3kvcA1 ILE 220 HG13 -0.17 -0.05 -0.08 -0.04 1.21 0.87 3kvcA1 ILE 220 HG23 -0.83 0.01 -0.13 -0.04 0.93 -0.06 3kvcA1 ILE 220 HD13 -0.39 -0.00 -0.10 -0.04 0.88 0.34 3kvcA1 SER 221 H -0.19 0.16 -0.31 -0.55 8.46 7.58 3kvcA1 SER 221 HA -0.00 0.08 0.43 -0.75 4.49 4.24 3kvcA1 SER 221 HB2 0.11 0.00 0.10 -0.04 3.95 4.12 3kvcA1 SER 221 HB3 0.09 -0.11 0.07 -0.04 3.93 3.95 3kvcA1 LYS 222 H -0.09 0.42 -0.63 -0.55 8.42 7.57 3kvcA1 LYS 222 HA -0.01 0.14 0.76 -0.75 4.32 4.46 3kvcA1 LYS 222 HB2 -0.04 0.13 0.10 -0.04 1.87 2.02 3kvcA1 LYS 222 HB3 -0.02 -0.06 0.14 -0.04 1.79 1.81 3kvcA1 LYS 222 HG2 -0.02 -0.01 -0.25 -0.04 1.46 1.15 3kvcA1 LYS 222 HG3 -0.01 -0.08 -0.10 -0.04 1.46 1.23 3kvcA1 LYS 222 HD2 -0.00 -0.05 -0.04 -0.04 1.69 1.56 3kvcA1 LYS 222 HD3 0.00 0.15 -0.09 -0.04 1.68 1.71 3kvcA1 LYS 222 HE2 0.01 0.01 -0.08 -0.04 2.99 2.89 3kvcA1 LYS 222 HE3 0.01 -0.03 -0.18 -0.04 2.99 2.75 3kvcA1 SER 223 H -0.08 0.29 -0.23 -0.55 8.46 7.90 3kvcA1 SER 223 HA -0.07 0.22 0.61 -0.75 4.49 4.50 3kvcA1 SER 223 HB2 -0.01 0.03 -0.03 -0.04 3.95 3.90 3kvcA1 SER 223 HB3 -0.04 -0.09 -0.11 -0.04 3.93 3.64 3kvcA1 GLU 224 H -0.05 0.47 0.37 -0.55 8.60 8.84 3kvcA1 GLU 224 HA -0.01 0.12 0.65 -0.75 4.29 4.30 3kvcA1 GLU 224 HB2 -0.02 0.03 -0.00 -0.04 2.09 2.06 3kvcA1 GLU 224 HB3 -0.01 0.09 -0.01 -0.04 1.99 2.02 3kvcA1 GLU 224 HG2 -0.04 0.18 -0.03 -0.04 2.34 2.40 3kvcA1 GLU 224 HG3 -0.05 -0.11 -0.01 -0.04 2.34 2.13 3kvcA1 ILE 225 H -0.01 0.16 0.13 -0.55 8.25 7.98 3kvcA1 ILE 225 HA -0.02 0.22 0.87 -0.75 4.18 4.50 3kvcA1 ILE 225 HB -0.02 0.00 0.13 -0.04 1.89 1.97 3kvcA1 ILE 225 HG12 -0.01 -0.03 0.01 -0.04 1.49 1.42 3kvcA1 ILE 225 HG13 -0.02 0.00 -0.03 -0.04 1.21 1.13 3kvcA1 ILE 225 HG23 -0.03 -0.01 -0.19 -0.04 0.93 0.66 3kvcA1 ILE 225 HD13 -0.02 -0.01 -0.30 -0.04 0.88 0.51 3kvcA1 VAL 226 H -0.00 0.57 0.30 -0.55 8.24 8.56 3kvcA1 VAL 226 HA 0.01 0.08 0.47 -0.75 4.13 3.94 3kvcA1 VAL 226 HB 0.08 -0.07 0.05 -0.04 2.12 2.14 3kvcA1 VAL 226 HG13 0.11 -0.01 -0.16 -0.04 0.97 0.86 3kvcA1 VAL 226 HG23 0.08 0.00 -0.10 -0.04 0.95 0.89 3kvcA1 VAL 227 H -0.03 0.26 0.20 -0.55 8.24 8.12 3kvcA1 VAL 227 HA -0.06 0.18 0.50 -0.75 4.13 3.99 3kvcA1 VAL 227 HB -0.05 0.15 -0.39 -0.04 2.12 1.79 3kvcA1 VAL 227 HG13 -0.15 -0.03 -0.28 -0.04 0.97 0.46 3kvcA1 VAL 227 HG23 -0.14 0.04 -0.21 -0.04 0.95 0.60 3kvcA1 GLN 228 H -0.14 0.23 0.14 -0.55 8.47 8.14 3kvcA1 GLN 228 HA -0.11 0.26 1.05 -0.75 4.36 4.81 3kvcA1 GLN 228 HB2 -0.07 -0.02 -0.10 -0.04 2.15 1.91 3kvcA1 GLN 228 HB3 -0.09 -0.01 0.06 -0.04 2.02 1.93 3kvcA1 GLN 228 HG2 -0.09 0.03 -0.32 -0.04 2.40 1.98 3kvcA1 GLN 228 HG3 -0.07 0.01 -0.10 -0.04 2.39 2.19 3kvcA1 GLN 228 HE21 -0.04 0.20 -0.06 -0.04 6.97 7.03 3kvcA1 GLN 228 HE22 -0.06 -0.04 -0.13 -0.04 7.69 7.41 3kvcA1 PHE 229 H 0.04 0.76 0.34 -0.55 8.34 8.93 3kvcA1 PHE 229 HA -0.38 0.15 0.85 -0.75 4.62 4.48 3kvcA1 PHE 229 HB2 -0.17 -0.06 0.07 -0.04 3.15 2.94 3kvcA1 PHE 229 HB3 -0.16 0.13 -0.05 -0.04 3.06 2.94 3kvcA1 PHE 229 HD2 0.00 0.04 -0.13 -0.04 7.28 7.15 3kvcA1 PHE 229 HE2 0.22 -0.03 -0.41 -0.04 7.38 7.12 3kvcA1 PHE 229 HZ 0.21 -0.01 -0.31 -0.04 7.32 7.17 3kvcA1 PRO 230 HA -0.06 0.10 0.54 -0.51 4.44 4.51 3kvcA1 PRO 230 HB2 0.04 0.10 -0.07 -0.04 2.28 2.31 3kvcA1 PRO 230 HB3 -0.08 0.02 0.06 -0.04 2.02 1.98 3kvcA1 PRO 230 HG2 -0.05 0.03 -0.05 -0.04 2.03 1.92 3kvcA1 PRO 230 HG3 -0.22 0.03 0.00 -0.04 2.03 1.81 3kvcA1 PRO 230 HD2 -0.71 0.06 0.18 -0.04 3.68 3.17 3kvcA1 PRO 230 HD3 -1.06 0.16 0.16 -0.04 3.65 2.86 3kvcA1 CYS 231 H -0.03 0.26 0.13 -0.55 8.50 8.32 3kvcA1 CYS 231 HA 0.27 0.12 0.80 -0.75 4.58 5.02 3kvcA1 CYS 231 HB2 -0.29 -0.00 -0.24 -0.04 2.97 2.40 3kvcA1 CYS 231 HB3 -0.13 0.12 -0.10 -0.04 2.97 2.82 3kvcA1 SER 232 H -0.06 0.16 0.08 -0.55 8.46 8.09 3kvcA1 SER 232 HA -0.09 0.10 0.39 -0.75 4.49 4.13 3kvcA1 SER 232 HB2 -1.54 -0.00 0.02 -0.04 3.95 2.38 3kvcA1 SER 232 HB3 -1.28 0.04 0.05 -0.04 3.93 2.70 3kvcA1 ASP 233 H -0.13 0.19 -0.27 -0.55 8.40 7.64 3kvcA1 ASP 233 HA -0.10 0.13 0.75 -0.75 4.63 4.66 3kvcA1 ASP 233 HB2 -0.13 0.04 -0.09 -0.04 2.71 2.49 3kvcA1 ASP 233 HB3 -0.10 0.21 0.14 -0.04 2.70 2.91 3kvcA1 ARG 234 H -0.18 0.18 0.05 -0.55 8.46 7.96 3kvcA1 ARG 234 HA -0.24 0.13 0.32 -0.75 4.34 3.80 3kvcA1 ARG 234 HB2 -0.33 0.03 0.13 -0.04 1.90 1.68 3kvcA1 ARG 234 HB3 -0.81 -0.04 0.08 -0.04 1.80 0.99 3kvcA1 ARG 234 HG2 -0.89 0.02 -0.10 -0.04 1.67 0.66 3kvcA1 ARG 234 HG3 -0.34 0.04 0.09 -0.04 1.67 1.41 3kvcA1 ARG 234 HD2 -0.91 -0.04 -0.01 -0.04 3.22 2.22 3kvcA1 ARG 234 HD3 -0.51 0.04 -0.01 -0.04 3.22 2.70 3kvcA1 PHE 235 H -0.13 -0.00 -0.33 -0.55 8.34 7.33 3kvcA1 PHE 235 HA -0.04 0.24 0.90 -0.75 4.62 4.96 3kvcA1 PHE 235 HB2 -0.03 -0.03 -0.02 -0.04 3.15 3.03 3kvcA1 PHE 235 HB3 -0.02 0.03 0.14 -0.04 3.06 3.16 3kvcA1 PHE 235 HD2 -0.00 0.04 -0.04 -0.04 7.28 7.24 3kvcA1 PHE 235 HE2 0.01 0.03 -0.03 -0.04 7.38 7.34 3kvcA1 PHE 235 HZ 0.00 0.00 -0.02 -0.04 7.32 7.26 3kvcA1 LYS 236 H -0.05 0.27 -0.27 -0.55 8.42 7.82 3kvcA1 LYS 236 HA -0.03 0.35 0.97 -0.75 4.32 4.86 3kvcA1 LYS 236 HB2 -0.04 -0.13 0.06 -0.04 1.87 1.71 3kvcA1 LYS 236 HB3 -0.04 0.09 -0.03 -0.04 1.79 1.76 3kvcA1 LYS 236 HG2 0.01 0.14 -0.09 -0.04 1.46 1.48 3kvcA1 LYS 236 HG3 0.06 -0.22 -0.50 -0.04 1.46 0.76 3kvcA1 LYS 236 HD2 -0.02 -0.06 -0.11 -0.04 1.69 1.46 3kvcA1 LYS 236 HD3 -0.02 0.04 -0.17 -0.04 1.68 1.48 3kvcA1 LYS 236 HE2 0.02 0.03 -0.08 -0.04 2.99 2.91 3kvcA1 LYS 236 HE3 0.05 -0.06 -0.09 -0.04 2.99 2.84 3kvcA1 PRO 237 HA -0.08 0.03 0.68 -0.51 4.44 4.56 3kvcA1 PRO 237 HB2 -0.04 0.15 -0.03 -0.04 2.28 2.32 3kvcA1 PRO 237 HB3 -0.36 -0.00 0.06 -0.04 2.02 1.68 3kvcA1 PRO 237 HG2 -0.06 -0.02 0.01 -0.04 2.03 1.92 3kvcA1 PRO 237 HG3 -0.16 -0.01 0.02 -0.04 2.03 1.85 3kvcA1 PRO 237 HD2 -0.08 0.28 0.25 -0.04 3.68 4.09 3kvcA1 PRO 237 HD3 -0.12 0.12 -0.01 -0.04 3.65 3.60 3kvcA1 SER 238 H 0.31 0.05 0.16 -0.55 8.46 8.43 3kvcA1 SER 238 HA 0.05 0.20 0.87 -0.75 4.49 4.86 3kvcA1 SER 238 HB2 0.12 -0.10 0.07 -0.04 3.95 4.00 3kvcA1 SER 238 HB3 0.02 0.09 0.19 -0.04 3.93 4.19 3kvcA1 TYR 239 H 0.20 0.56 0.21 -0.55 8.29 8.70 3kvcA1 TYR 239 HA 0.16 0.02 0.56 -0.75 4.56 4.55 3kvcA1 TYR 239 HB2 0.31 0.00 -0.01 -0.04 3.06 3.33 3kvcA1 TYR 239 HB3 0.00 -0.03 0.12 -0.04 2.98 3.03 3kvcA1 TYR 239 HD2 0.25 -0.00 -0.05 -0.04 7.15 7.31 3kvcA1 TYR 239 HE2 0.33 -0.01 -0.05 -0.04 6.85 7.07 3kvcA1 VAL 240 H -0.28 0.21 0.14 -0.55 8.24 7.76 3kvcA1 VAL 240 HA -0.07 0.20 0.98 -0.75 4.13 4.49 3kvcA1 VAL 240 HB -0.05 -0.06 0.05 -0.04 2.12 2.02 3kvcA1 VAL 240 HG13 0.07 -0.01 -0.06 -0.04 0.97 0.94 3kvcA1 VAL 240 HG23 0.06 0.07 -0.22 -0.04 0.95 0.82 3kvcA1 HIS 241 H 0.01 0.22 0.23 -0.55 8.41 8.32 3kvcA1 HIS 241 HA -0.08 0.10 0.94 -0.75 4.63 4.83 3kvcA1 HIS 241 HB2 0.10 -0.07 0.08 -0.04 3.26 3.33 3kvcA1 HIS 241 HB3 0.09 0.20 0.27 -0.04 3.20 3.71 3kvcA1 HIS 241 HD2 -0.09 0.22 -0.17 -0.04 6.97 6.88 3kvcA1 HIS 241 HE1 0.03 -0.02 0.00 -0.04 7.75 7.72 3kvcA1 SER 242 H 0.18 0.20 0.25 -0.55 8.46 8.55 3kvcA1 SER 242 HA 0.21 0.12 0.60 -0.75 4.49 4.67 3kvcA1 SER 242 HB2 0.02 0.05 0.27 -0.04 3.95 4.25 3kvcA1 SER 242 HB3 0.05 0.13 -0.05 -0.04 3.93 4.02 3kvcA1 PHE 243 H -0.08 0.44 0.27 -0.55 8.34 8.42 3kvcA1 PHE 243 HA -0.34 0.03 0.54 -0.75 4.62 4.10 3kvcA1 PHE 243 HB2 -0.02 0.18 0.21 -0.04 3.15 3.48 3kvcA1 PHE 243 HB3 0.03 0.02 -0.15 -0.04 3.06 2.91 3kvcA1 PHE 243 HD2 0.02 -0.01 -0.16 -0.04 7.28 7.09 3kvcA1 PHE 243 HE2 0.04 0.04 -0.10 -0.04 7.38 7.31 3kvcA1 PHE 243 HZ 0.21 0.04 -0.35 -0.04 7.32 7.18 3kvcA1 GLY 244 H -0.22 0.72 0.33 -0.55 8.43 8.71 3kvcA1 GLY 244 HA2 -0.28 0.20 0.92 -0.51 4.01 4.34 3kvcA1 GLY 244 HA3 -0.22 -0.03 0.26 -0.51 4.01 3.51 3kvcA1 LEU 245 H -0.42 0.25 0.19 -0.55 8.37 7.85 3kvcA1 LEU 245 HA -0.15 0.19 0.98 -0.75 4.35 4.62 3kvcA1 LEU 245 HB2 -0.50 -0.00 -0.25 -0.04 1.64 0.84 3kvcA1 LEU 245 HB3 -0.85 -0.02 -0.01 -0.04 1.64 0.72 3kvcA1 LEU 245 HG -0.26 0.15 -0.18 -0.04 1.64 1.32 3kvcA1 LEU 245 HD13 -0.29 0.02 -0.02 -0.04 0.93 0.60 3kvcA1 LEU 245 HD23 -0.21 -0.02 -0.16 -0.04 0.89 0.47 3kvcA1 THR 246 H -0.07 0.71 0.32 -0.55 8.28 8.69 3kvcA1 THR 246 HA -0.07 0.29 0.88 -0.75 4.39 4.74 3kvcA1 THR 246 HB 0.06 0.15 0.23 -0.04 4.32 4.72 3kvcA1 THR 246 HG23 0.04 0.04 -0.43 -0.04 1.22 0.83 3kvcA1 PRO 247 HA -0.06 0.12 0.53 -0.51 4.44 4.52 3kvcA1 PRO 247 HB2 -0.03 -0.05 0.13 -0.04 2.28 2.29 3kvcA1 PRO 247 HB3 -0.04 0.03 0.13 -0.04 2.02 2.10 3kvcA1 PRO 247 HG2 -0.02 0.04 0.14 -0.04 2.03 2.14 3kvcA1 PRO 247 HG3 -0.05 0.09 0.10 -0.04 2.03 2.13 3kvcA1 PRO 247 HD2 0.02 0.04 0.34 -0.04 3.68 4.04 3kvcA1 PRO 247 HD3 -0.04 0.31 0.29 -0.04 3.65 4.17 3kvcA1 ASN 248 H -0.04 0.08 -0.12 -0.55 8.53 7.90 3kvcA1 ASN 248 HA -0.22 0.21 0.93 -0.75 4.76 4.92 3kvcA1 ASN 248 HB2 -0.33 0.03 -0.01 -0.04 2.88 2.53 3kvcA1 ASN 248 HB3 -0.62 -0.04 0.11 -0.04 2.79 2.19 3kvcA1 ASN 248 HD21 -0.02 0.04 -0.02 -0.04 7.03 6.98 3kvcA1 ASN 248 HD22 0.02 0.01 0.00 -0.04 7.74 7.74 3kvcA1 TYR 249 H 0.00 0.14 -0.11 -0.55 8.29 7.78 3kvcA1 TYR 249 HA 0.02 0.22 1.14 -0.75 4.56 5.18 3kvcA1 TYR 249 HB2 0.00 -0.07 -0.16 -0.04 3.06 2.79 3kvcA1 TYR 249 HB3 0.04 0.10 -0.05 -0.04 2.98 3.03 3kvcA1 TYR 249 HD2 0.02 -0.00 -0.22 -0.04 7.15 6.91 3kvcA1 TYR 249 HE2 0.00 0.00 -0.11 -0.04 6.85 6.70 3kvcA1 ILE 250 H 0.24 0.61 0.32 -0.55 8.25 8.86 3kvcA1 ILE 250 HA 0.13 0.26 0.96 -0.75 4.18 4.78 3kvcA1 ILE 250 HB 0.35 -0.10 0.05 -0.04 1.89 2.15 3kvcA1 ILE 250 HG12 -0.01 0.09 -0.13 -0.04 1.49 1.39 3kvcA1 ILE 250 HG13 0.04 -0.13 -0.31 -0.04 1.21 0.76 3kvcA1 ILE 250 HG23 0.40 0.02 -0.16 -0.04 0.93 1.15 3kvcA1 ILE 250 HD13 0.09 0.01 -0.18 -0.04 0.88 0.76 3kvcA1 VAL 251 H 0.15 0.73 0.21 -0.55 8.24 8.77 3kvcA1 VAL 251 HA 0.16 0.35 1.10 -0.75 4.13 5.00 3kvcA1 VAL 251 HB 0.05 -0.12 0.03 -0.04 2.12 2.04 3kvcA1 VAL 251 HG13 0.05 0.01 -0.21 -0.04 0.97 0.79 3kvcA1 VAL 251 HG23 0.03 -0.00 -0.29 -0.04 0.95 0.65 3kvcA1 PHE 252 H 0.03 0.70 0.29 -0.55 8.34 8.81 3kvcA1 PHE 252 HA -0.07 0.12 0.93 -0.75 4.62 4.84 3kvcA1 PHE 252 HB2 -0.69 0.01 -0.17 -0.04 3.15 2.26 3kvcA1 PHE 252 HB3 -1.20 0.00 -0.02 -0.04 3.06 1.81 3kvcA1 PHE 252 HD2 -0.57 -0.01 -0.06 -0.04 7.28 6.60 3kvcA1 PHE 252 HE2 -0.60 0.06 -0.12 -0.04 7.38 6.69 3kvcA1 PHE 252 HZ -1.20 -0.03 -0.11 -0.04 7.32 5.93 3kvcA1 VAL 253 H -0.11 0.24 0.13 -0.55 8.24 7.94 3kvcA1 VAL 253 HA -0.37 0.18 0.85 -0.75 4.13 4.04 3kvcA1 VAL 253 HB -0.07 -0.01 0.06 -0.04 2.12 2.06 3kvcA1 VAL 253 HG13 -0.18 0.01 -0.31 -0.04 0.97 0.45 3kvcA1 VAL 253 HG23 -0.02 -0.02 -0.24 -0.04 0.95 0.63 3kvcA1 GLU 254 H -0.44 0.81 0.30 -0.55 8.60 8.73 3kvcA1 GLU 254 HA -0.42 0.06 0.70 -0.75 4.29 3.87 3kvcA1 GLU 254 HB2 -0.47 -0.01 0.01 -0.04 2.09 1.59 3kvcA1 GLU 254 HB3 -0.08 0.01 0.26 -0.04 1.99 2.13 3kvcA1 GLU 254 HG2 -0.17 0.11 -0.03 -0.04 2.34 2.21 3kvcA1 GLU 254 HG3 0.02 -0.03 0.06 -0.04 2.34 2.34 3kvcA1 THR 255 H -0.18 0.19 0.23 -0.55 8.28 7.97 3kvcA1 THR 255 HA -0.29 0.17 0.75 -0.75 4.39 4.27 3kvcA1 THR 255 HB -0.17 0.21 0.30 -0.04 4.32 4.62 3kvcA1 THR 255 HG23 -0.23 -0.01 -0.03 -0.04 1.22 0.91 3kvcA1 PRO 256 HA -0.13 0.11 0.60 -0.51 4.44 4.51 3kvcA1 PRO 256 HB2 -0.03 -0.01 0.24 -0.04 2.28 2.43 3kvcA1 PRO 256 HB3 -0.07 0.02 0.19 -0.04 2.02 2.12 3kvcA1 PRO 256 HG2 0.10 0.02 0.02 -0.04 2.03 2.14 3kvcA1 PRO 256 HG3 0.05 -0.08 0.03 -0.04 2.03 1.99 3kvcA1 PRO 256 HD2 -0.13 0.32 0.27 -0.04 3.68 4.10 3kvcA1 PRO 256 HD3 -0.18 0.22 0.10 -0.04 3.65 3.75 3kvcA1 VAL 257 H -0.05 0.08 -0.34 -0.55 8.24 7.38 3kvcA1 VAL 257 HA -0.05 0.17 0.78 -0.75 4.13 4.27 3kvcA1 VAL 257 HB -0.06 -0.01 0.21 -0.04 2.12 2.21 3kvcA1 VAL 257 HG13 -0.76 -0.02 -0.05 -0.04 0.97 0.10 3kvcA1 VAL 257 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 3kvcA1 LYS 258 H -0.02 0.80 0.44 -0.55 8.42 9.08 3kvcA1 LYS 258 HA -0.01 0.18 0.89 -0.75 4.32 4.63 3kvcA1 LYS 258 HB2 -0.04 -0.01 -0.05 -0.04 1.87 1.73 3kvcA1 LYS 258 HB3 -0.05 0.06 -0.15 -0.04 1.79 1.61 3kvcA1 LYS 258 HG2 -0.08 -0.00 -0.31 -0.04 1.46 1.03 3kvcA1 LYS 258 HG3 -0.09 -0.08 -0.14 -0.04 1.46 1.12 3kvcA1 LYS 258 HD2 -0.05 0.12 -0.52 -0.04 1.69 1.20 3kvcA1 LYS 258 HD3 -0.04 0.03 -0.31 -0.04 1.68 1.32 3kvcA1 LYS 258 HE2 -0.19 0.03 -0.11 -0.04 2.99 2.68 3kvcA1 LYS 258 HE3 -0.15 -0.07 -0.10 -0.04 2.99 2.63 3kvcA1 ILE 259 H -0.07 0.68 0.20 -0.55 8.25 8.51 3kvcA1 ILE 259 HA -0.40 0.11 0.70 -0.75 4.18 3.84 3kvcA1 ILE 259 HB -0.11 0.09 0.12 -0.04 1.89 1.95 3kvcA1 ILE 259 HG12 -0.68 -0.02 -0.09 -0.04 1.49 0.66 3kvcA1 ILE 259 HG13 -0.20 -0.09 -0.28 -0.04 1.21 0.60 3kvcA1 ILE 259 HG23 -0.18 -0.01 -0.14 -0.04 0.93 0.56 3kvcA1 ILE 259 HD13 0.11 -0.00 -0.16 -0.04 0.88 0.78 3kvcA1 ASN 260 H -0.15 0.57 0.13 -0.55 8.53 8.54 3kvcA1 ASN 260 HA -0.04 0.22 0.62 -0.75 4.76 4.81 3kvcA1 ASN 260 HB2 -0.04 -0.04 -0.14 -0.04 2.88 2.62 3kvcA1 ASN 260 HB3 -0.04 0.14 0.09 -0.04 2.79 2.94 3kvcA1 ASN 260 HD21 -0.01 -0.05 -0.03 -0.04 7.03 6.90 3kvcA1 ASN 260 HD22 -0.01 0.00 -0.06 -0.04 7.74 7.63 3kvcA1 GLY 272 HA2 0.00 -0.01 0.17 -0.51 4.01 3.66 3kvcA1 GLY 272 HA3 0.01 -0.04 0.19 -0.51 4.01 3.65 3kvcA1 ALA 273 H -0.02 0.14 0.17 -0.55 8.40 8.15 3kvcA1 ALA 273 HA -0.01 0.14 0.90 -0.75 4.34 4.61 3kvcA1 ALA 273 HB3 -0.04 0.02 -0.02 -0.04 1.41 1.34 3kvcA1 ASN 274 H -0.01 0.08 0.08 -0.55 8.53 8.15 3kvcA1 ASN 274 HA -0.05 0.21 0.67 -0.75 4.76 4.85 3kvcA1 ASN 274 HB2 0.12 0.19 -0.03 -0.04 2.88 3.12 3kvcA1 ASN 274 HB3 0.09 -0.07 -0.29 -0.04 2.79 2.48 3kvcA1 ASN 274 HD21 0.08 0.07 -0.05 -0.04 7.03 7.09 3kvcA1 ASN 274 HD22 0.12 -0.06 -0.35 -0.04 7.74 7.41 3kvcA1 TYR 275 H 0.25 0.37 0.20 -0.55 8.29 8.56 3kvcA1 TYR 275 HA 0.04 0.13 0.32 -0.75 4.56 4.29 3kvcA1 TYR 275 HB2 -0.01 -0.05 0.23 -0.04 3.06 3.19 3kvcA1 TYR 275 HB3 0.27 0.02 0.06 -0.04 2.98 3.29 3kvcA1 TYR 275 HD2 0.14 0.08 -0.15 -0.04 7.15 7.18 3kvcA1 TYR 275 HE2 0.14 0.11 -0.13 -0.04 6.85 6.93 3kvcA1 MET 276 H -0.31 0.42 0.07 -0.55 8.47 8.11 3kvcA1 MET 276 HA 0.07 0.04 0.31 -0.75 4.52 4.18 3kvcA1 MET 276 HB2 -0.75 -0.05 0.00 -0.04 2.15 1.32 3kvcA1 MET 276 HB3 -0.14 -0.02 0.06 -0.04 2.03 1.89 3kvcA1 MET 276 HG2 0.12 0.01 -0.08 -0.04 2.63 2.64 3kvcA1 MET 276 HG3 0.09 0.08 -0.30 -0.04 2.56 2.38 3kvcA1 MET 276 HE3 -0.15 -0.01 -0.24 -0.04 2.10 1.66 3kvcA1 ASP 277 H 0.02 0.05 -0.42 -0.55 8.40 7.50 3kvcA1 ASP 277 HA 0.07 0.06 0.36 -0.75 4.63 4.37 3kvcA1 ASP 277 HB2 -0.00 0.14 -0.03 -0.04 2.71 2.78 3kvcA1 ASP 277 HB3 0.01 0.04 0.02 -0.04 2.70 2.72 3kvcA1 CYS 278 H 0.07 0.49 -0.40 -0.55 8.50 8.11 3kvcA1 CYS 278 HA -0.03 0.11 0.61 -0.75 4.58 4.51 3kvcA1 CYS 278 HB2 -0.20 0.09 0.12 -0.04 2.97 2.93 3kvcA1 CYS 278 HB3 -0.16 -0.05 0.13 -0.04 2.97 2.86 3kvcA1 PHE 279 H 0.34 0.39 -0.15 -0.55 8.34 8.37 3kvcA1 PHE 279 HA -0.02 0.26 0.66 -0.75 4.62 4.77 3kvcA1 PHE 279 HB2 0.16 0.05 0.13 -0.04 3.15 3.46 3kvcA1 PHE 279 HB3 -0.11 -0.06 0.05 -0.04 3.06 2.90 3kvcA1 PHE 279 HD2 -0.19 0.07 -0.02 -0.04 7.28 7.10 3kvcA1 PHE 279 HE2 0.03 -0.08 -0.19 -0.04 7.38 7.09 3kvcA1 PHE 279 HZ 0.26 -0.03 -0.08 -0.04 7.32 7.43 3kvcA1 GLU 280 H 0.07 0.69 0.42 -0.55 8.60 9.24 3kvcA1 GLU 280 HA 0.10 0.07 0.55 -0.75 4.29 4.26 3kvcA1 GLU 280 HB2 0.02 -0.05 0.10 -0.04 2.09 2.13 3kvcA1 GLU 280 HB3 0.03 0.14 -0.16 -0.04 1.99 1.95 3kvcA1 GLU 280 HG2 -0.02 0.04 -0.17 -0.04 2.34 2.15 3kvcA1 GLU 280 HG3 -0.02 -0.04 -0.40 -0.04 2.34 1.84 3kvcA1 SER 281 H 0.05 0.16 0.17 -0.55 8.46 8.29 3kvcA1 SER 281 HA -0.00 0.38 1.10 -0.75 4.49 5.21 3kvcA1 SER 281 HB2 0.13 -0.08 0.03 -0.04 3.95 3.99 3kvcA1 SER 281 HB3 0.08 0.03 -0.18 -0.04 3.93 3.81 3kvcA1 ASN 282 H -0.11 0.80 0.36 -0.55 8.53 9.03 3kvcA1 ASN 282 HA -0.16 0.07 0.84 -0.75 4.76 4.75 3kvcA1 ASN 282 HB2 -0.11 0.07 0.08 -0.04 2.88 2.87 3kvcA1 ASN 282 HB3 -0.14 0.06 0.24 -0.04 2.79 2.91 3kvcA1 ASN 282 HD21 -0.08 0.01 -0.02 -0.04 7.03 6.90 3kvcA1 ASN 282 HD22 -0.10 0.06 -0.02 -0.04 7.74 7.64 3kvcA1 GLU 283 H -0.26 0.17 0.18 -0.55 8.60 8.15 3kvcA1 GLU 283 HA -1.24 0.12 0.28 -0.75 4.29 2.70 3kvcA1 GLU 283 HB2 -0.17 -0.01 0.07 -0.04 2.09 1.94 3kvcA1 GLU 283 HB3 -0.18 0.02 0.07 -0.04 1.99 1.86 3kvcA1 GLU 283 HG2 -0.94 -0.00 -0.07 -0.04 2.34 1.28 3kvcA1 GLU 283 HG3 -0.28 0.06 0.06 -0.04 2.34 2.14 3kvcA1 THR 284 H -0.10 -0.00 -0.10 -0.55 8.28 7.53 3kvcA1 THR 284 HA 0.05 0.27 0.90 -0.75 4.39 4.85 3kvcA1 THR 284 HB 0.06 0.05 0.03 -0.04 4.32 4.41 3kvcA1 THR 284 HG23 0.01 -0.01 -0.07 -0.04 1.22 1.11 3kvcA1 MET 285 H -0.03 0.04 -0.12 -0.55 8.47 7.82 3kvcA1 MET 285 HA 0.24 0.11 0.40 -0.75 4.52 4.52 3kvcA1 MET 285 HB2 -0.17 0.03 -0.05 -0.04 2.15 1.93 3kvcA1 MET 285 HB3 -0.09 -0.09 0.01 -0.04 2.03 1.82 3kvcA1 MET 285 HG2 -0.12 -0.14 0.02 -0.04 2.63 2.35 3kvcA1 MET 285 HG3 -0.11 0.44 -0.15 -0.04 2.56 2.69 3kvcA1 MET 285 HE3 -0.87 0.04 -0.18 -0.04 2.10 1.04 3kvcA1 GLY 286 H 0.08 -0.01 -0.26 -0.55 8.43 7.70 3kvcA1 GLY 286 HA2 0.12 -0.09 0.19 -0.51 4.01 3.72 3kvcA1 GLY 286 HA3 0.20 0.23 0.50 -0.51 4.01 4.42 3kvcA1 VAL 287 H -0.02 0.57 0.10 -0.55 8.24 8.34 3kvcA1 VAL 287 HA -0.18 0.26 0.95 -0.75 4.13 4.40 3kvcA1 VAL 287 HB -0.43 -0.01 -0.06 -0.04 2.12 1.57 3kvcA1 VAL 287 HG13 -0.47 -0.02 -0.40 -0.04 0.97 0.04 3kvcA1 VAL 287 HG23 -1.14 -0.04 -0.06 -0.04 0.95 -0.33 3kvcA1 TRP 288 H 0.03 0.58 0.27 -0.55 7.97 8.30 3kvcA1 TRP 288 HA -0.19 0.28 1.03 -0.75 4.62 4.98 3kvcA1 TRP 288 HB2 -0.08 -0.07 0.17 -0.04 3.23 3.20 3kvcA1 TRP 288 HB3 -0.25 0.05 0.03 -0.04 3.23 3.02 3kvcA1 TRP 288 HD1 -0.07 -0.06 -0.75 -0.04 7.22 6.30 3kvcA1 TRP 288 HE1 0.02 0.14 -0.02 -0.04 10.20 10.29 3kvcA1 TRP 288 HE3 0.21 0.01 -0.08 -0.04 7.59 7.69 3kvcA1 TRP 288 HZ2 0.03 -0.03 -0.02 -0.04 7.44 7.38 3kvcA1 TRP 288 HZ3 0.11 0.01 -0.09 -0.04 7.13 7.11 3kvcA1 TRP 288 HH2 0.04 0.01 0.01 -0.04 7.19 7.22 3kvcA1 LEU 289 H -0.13 0.54 0.18 -0.55 8.37 8.42 3kvcA1 LEU 289 HA -0.24 0.18 1.06 -0.75 4.35 4.60 3kvcA1 LEU 289 HB2 -0.14 -0.04 -0.02 -0.04 1.64 1.40 3kvcA1 LEU 289 HB3 -0.19 -0.02 -0.04 -0.04 1.64 1.35 3kvcA1 LEU 289 HG -0.24 0.01 -0.31 -0.04 1.64 1.07 3kvcA1 LEU 289 HD13 -0.26 0.00 -0.33 -0.04 0.93 0.30 3kvcA1 LEU 289 HD23 -0.32 -0.01 -0.20 -0.04 0.89 0.32 3kvcA1 HIS 290 H -0.03 0.50 0.35 -0.55 8.41 8.68 3kvcA1 HIS 290 HA 0.34 0.23 1.01 -0.75 4.63 5.45 3kvcA1 HIS 290 HB2 -0.09 -0.04 0.12 -0.04 3.26 3.21 3kvcA1 HIS 290 HB3 0.70 0.01 0.00 -0.04 3.20 3.87 3kvcA1 HIS 290 HD2 -0.46 0.01 -0.15 -0.04 6.97 6.33 3kvcA1 HIS 290 HE1 0.47 -0.03 -0.12 -0.04 7.75 8.03 3kvcA1 ILE 291 H 0.37 0.31 0.32 -0.55 8.25 8.70 3kvcA1 ILE 291 HA 0.36 0.35 1.08 -0.75 4.18 5.22 3kvcA1 ILE 291 HB 0.14 0.01 0.08 -0.04 1.89 2.08 3kvcA1 ILE 291 HG12 0.26 0.02 0.12 -0.04 1.49 1.85 3kvcA1 ILE 291 HG13 0.11 -0.05 -0.08 -0.04 1.21 1.16 3kvcA1 ILE 291 HG23 -0.04 -0.01 -0.23 -0.04 0.93 0.61 3kvcA1 ILE 291 HD13 -0.02 0.00 -0.10 -0.04 0.88 0.72 3kvcA1 ALA 292 H 0.40 0.57 0.33 -0.55 8.40 9.15 3kvcA1 ALA 292 HA 0.13 0.13 0.84 -0.75 4.34 4.68 3kvcA1 ALA 292 HB3 -0.01 0.02 -0.15 -0.04 1.41 1.22 3kvcA1 ASP 293 H 0.07 0.64 0.22 -0.55 8.40 8.78 3kvcA1 ASP 293 HA -0.11 0.19 0.71 -0.75 4.63 4.67 3kvcA1 ASP 293 HB2 0.06 0.06 0.11 -0.04 2.71 2.89 3kvcA1 ASP 293 HB3 0.00 -0.01 0.18 -0.04 2.70 2.84 3kvcA1 LYS 294 H -0.18 0.62 0.17 -0.55 8.42 8.48 3kvcA1 LYS 294 HA -0.01 0.08 0.25 -0.75 4.32 3.89 3kvcA1 LYS 294 HB2 -0.09 -0.06 -0.34 -0.04 1.87 1.33 3kvcA1 LYS 294 HB3 -0.12 0.02 -0.13 -0.04 1.79 1.52 3kvcA1 LYS 294 HG2 -0.01 0.01 -0.29 -0.04 1.46 1.13 3kvcA1 LYS 294 HG3 -0.07 -0.04 -0.10 -0.04 1.46 1.21 3kvcA1 LYS 294 HD2 -0.58 -0.05 -0.12 -0.04 1.69 0.90 3kvcA1 LYS 294 HD3 -0.25 0.03 -0.19 -0.04 1.68 1.22 3kvcA1 LYS 294 HE2 -0.13 -0.04 -0.02 -0.04 2.99 2.75 3kvcA1 LYS 294 HE3 -0.11 0.38 -0.05 -0.04 2.99 3.18 3kvcA1 LYS 295 H -0.11 0.08 -0.04 -0.55 8.42 7.80 3kvcA1 LYS 295 HA -0.00 0.18 0.41 -0.75 4.32 4.15 3kvcA1 LYS 295 HB2 -0.07 -0.06 0.11 -0.04 1.87 1.80 3kvcA1 LYS 295 HB3 -0.03 0.03 0.04 -0.04 1.79 1.79 3kvcA1 LYS 295 HG2 -0.02 0.05 0.01 -0.04 1.46 1.45 3kvcA1 LYS 295 HG3 -0.08 0.02 0.06 -0.04 1.46 1.43 3kvcA1 LYS 295 HD2 -0.08 -0.05 0.02 -0.04 1.69 1.53 3kvcA1 LYS 295 HD3 -0.04 -0.01 0.01 -0.04 1.68 1.59 3kvcA1 LYS 295 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.91 3kvcA1 LYS 295 HE3 -0.05 0.25 -0.01 -0.04 2.99 3.14 3kvcA1 ARG 296 H -0.05 -0.03 -0.18 -0.55 8.46 7.64 3kvcA1 ARG 296 HA -0.01 0.18 0.59 -0.75 4.34 4.34 3kvcA1 ARG 296 HB2 -0.02 -0.06 -0.00 -0.04 1.90 1.78 3kvcA1 ARG 296 HB3 -0.01 0.05 0.06 -0.04 1.80 1.86 3kvcA1 ARG 296 HG2 -0.02 0.06 -0.03 -0.04 1.67 1.64 3kvcA1 ARG 296 HG3 -0.03 -0.10 -0.06 -0.04 1.67 1.44 3kvcA1 ARG 296 HD2 -0.01 -0.02 -0.00 -0.04 3.22 3.14 3kvcA1 ARG 296 HD3 -0.01 0.03 -0.00 -0.04 3.22 3.19 3kvcA1 LYS 297 H -0.01 0.09 -0.67 -0.55 8.42 7.28 3kvcA1 LYS 297 HA 0.00 0.03 0.19 -0.75 4.32 3.79 3kvcA1 LYS 297 HB2 0.00 0.06 -0.08 -0.04 1.87 1.81 3kvcA1 LYS 297 HB3 0.00 0.29 0.22 -0.04 1.79 2.26 3kvcA1 LYS 297 HG2 0.03 0.02 -0.03 -0.04 1.46 1.44 3kvcA1 LYS 297 HG3 0.01 0.02 -0.35 -0.04 1.46 1.10 3kvcA1 LYS 297 HD2 0.01 -0.05 -0.05 -0.04 1.69 1.56 3kvcA1 LYS 297 HD3 0.01 0.06 0.05 -0.04 1.68 1.76 3kvcA1 LYS 297 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 3kvcA1 LYS 297 HE3 0.02 0.02 -0.01 -0.04 2.99 2.99 3kvcA1 LYS 298 H -0.00 0.29 -0.01 -0.55 8.42 8.15 3kvcA1 LYS 298 HA 0.01 0.18 0.98 -0.75 4.32 4.73 3kvcA1 LYS 298 HB2 0.00 0.13 -0.31 -0.04 1.87 1.66 3kvcA1 LYS 298 HB3 0.01 -0.16 -0.02 -0.04 1.79 1.58 3kvcA1 LYS 298 HG2 0.02 0.16 -0.07 -0.04 1.46 1.53 3kvcA1 LYS 298 HG3 0.02 0.02 0.09 -0.04 1.46 1.55 3kvcA1 LYS 298 HD2 0.01 0.05 -0.01 -0.04 1.69 1.69 3kvcA1 LYS 298 HD3 0.01 -0.09 -0.04 -0.04 1.68 1.52 3kvcA1 LYS 298 HE2 0.01 -0.03 0.01 -0.04 2.99 2.93 3kvcA1 LYS 298 HE3 0.01 0.02 0.03 -0.04 2.99 3.02 3kvcA1 TYR 299 H 0.09 0.17 0.18 -0.55 8.29 8.18 3kvcA1 TYR 299 HA -0.05 0.05 0.84 -0.75 4.56 4.64 3kvcA1 TYR 299 HB2 -0.16 0.16 0.20 -0.04 3.06 3.22 3kvcA1 TYR 299 HB3 -0.02 -0.04 0.16 -0.04 2.98 3.04 3kvcA1 TYR 299 HD2 0.04 -0.05 -0.05 -0.04 7.15 7.04 3kvcA1 TYR 299 HE2 0.42 -0.09 -0.02 -0.04 6.85 7.12 3kvcA1 ILE 300 H -0.42 0.59 0.43 -0.55 8.25 8.30 3kvcA1 ILE 300 HA -0.18 0.12 0.92 -0.75 4.18 4.29 3kvcA1 ILE 300 HB -0.07 0.09 0.16 -0.04 1.89 2.03 3kvcA1 ILE 300 HG12 0.01 0.02 -0.07 -0.04 1.49 1.42 3kvcA1 ILE 300 HG13 0.01 -0.01 -0.21 -0.04 1.21 0.95 3kvcA1 ILE 300 HG23 -0.06 -0.02 -0.12 -0.04 0.93 0.70 3kvcA1 ILE 300 HD13 0.18 -0.02 -0.18 -0.04 0.88 0.81 3kvcA1 ASN 301 H -0.16 0.18 0.04 -0.55 8.53 8.04 3kvcA1 ASN 301 HA -0.14 0.16 0.42 -0.75 4.76 4.44 3kvcA1 ASN 301 HB2 0.02 0.01 0.07 -0.04 2.88 2.94 3kvcA1 ASN 301 HB3 -0.03 -0.02 0.22 -0.04 2.79 2.92 3kvcA1 ASN 301 HD21 0.06 0.00 -0.01 -0.04 7.03 7.04 3kvcA1 ASN 301 HD22 0.04 -0.02 0.03 -0.04 7.74 7.75 3kvcA1 ASN 302 H -0.20 0.56 -0.04 -0.55 8.53 8.31 3kvcA1 ASN 302 HA -0.27 0.16 0.87 -0.75 4.76 4.76 3kvcA1 ASN 302 HB2 -0.31 -0.02 0.12 -0.04 2.88 2.64 3kvcA1 ASN 302 HB3 -0.93 0.02 -0.01 -0.04 2.79 1.83 3kvcA1 ASN 302 HD21 -0.03 0.08 -0.03 -0.04 7.03 7.01 3kvcA1 ASN 302 HD22 0.11 0.01 -0.02 -0.04 7.74 7.80 3kvcA1 LYS 303 H -0.28 0.24 0.02 -0.55 8.42 7.86 3kvcA1 LYS 303 HA -0.23 0.21 0.74 -0.75 4.32 4.28 3kvcA1 LYS 303 HB2 -0.21 0.06 0.12 -0.04 1.87 1.80 3kvcA1 LYS 303 HB3 -0.30 -0.01 0.09 -0.04 1.79 1.52 3kvcA1 LYS 303 HG2 -0.15 0.04 -0.08 -0.04 1.46 1.22 3kvcA1 LYS 303 HG3 -0.12 0.01 -0.12 -0.04 1.46 1.18 3kvcA1 LYS 303 HD2 -0.12 0.04 -0.08 -0.04 1.69 1.48 3kvcA1 LYS 303 HD3 -0.22 -0.03 -0.04 -0.04 1.68 1.35 3kvcA1 LYS 303 HE2 -0.08 0.00 -0.05 -0.04 2.99 2.83 3kvcA1 LYS 303 HE3 -0.04 0.00 -0.05 -0.04 2.99 2.86 3kvcA1 TYR 304 H -0.28 0.46 0.09 -0.55 8.29 8.02 3kvcA1 TYR 304 HA -0.13 0.14 0.73 -0.75 4.56 4.55 3kvcA1 TYR 304 HB2 -0.18 -0.01 0.16 -0.04 3.06 2.98 3kvcA1 TYR 304 HB3 -0.16 -0.01 0.04 -0.04 2.98 2.81 3kvcA1 TYR 304 HD2 -0.08 0.16 -0.04 -0.04 7.15 7.14 3kvcA1 TYR 304 HE2 -0.05 0.00 -0.03 -0.04 6.85 6.73 3kvcA1 ARG 305 H -0.08 0.61 0.49 -0.55 8.46 8.92 3kvcA1 ARG 305 HA -0.15 0.32 1.12 -0.75 4.34 4.88 3kvcA1 ARG 305 HB2 0.12 -0.12 -0.03 -0.04 1.90 1.83 3kvcA1 ARG 305 HB3 0.08 0.07 0.03 -0.04 1.80 1.94 3kvcA1 ARG 305 HG2 -0.27 0.03 -0.58 -0.04 1.67 0.80 3kvcA1 ARG 305 HG3 -0.15 -0.10 -0.11 -0.04 1.67 1.27 3kvcA1 ARG 305 HD2 -0.40 0.06 -0.03 -0.04 3.22 2.80 3kvcA1 ARG 305 HD3 -0.66 0.13 0.05 -0.04 3.22 2.70 3kvcA1 THR 306 H -0.22 0.67 0.42 -0.55 8.28 8.60 3kvcA1 THR 306 HA -2.11 0.07 0.61 -0.75 4.39 2.21 3kvcA1 THR 306 HB -0.50 -0.00 -0.15 -0.04 4.32 3.63 3kvcA1 THR 306 HG23 -0.22 0.06 -0.16 -0.04 1.22 0.85 3kvcA1 SER 307 H -0.11 0.14 0.17 -0.55 8.46 8.11 3kvcA1 SER 307 HA 0.34 0.12 0.45 -0.75 4.49 4.64 3kvcA1 SER 307 HB2 0.27 0.06 0.13 -0.04 3.95 4.37 3kvcA1 SER 307 HB3 0.49 -0.02 0.11 -0.04 3.93 4.47 3kvcA1 PRO 308 HA -0.01 0.06 0.27 -0.51 4.44 4.25 3kvcA1 PRO 308 HB2 0.26 -0.05 -0.25 -0.04 2.28 2.19 3kvcA1 PRO 308 HB3 0.25 0.06 0.02 -0.04 2.02 2.31 3kvcA1 PRO 308 HG2 0.24 -0.01 0.08 -0.04 2.03 2.30 3kvcA1 PRO 308 HG3 0.32 0.10 0.08 -0.04 2.03 2.48 3kvcA1 PRO 308 HD2 0.23 0.08 0.19 -0.04 3.68 4.14 3kvcA1 PRO 308 HD3 0.25 0.14 0.22 -0.04 3.65 4.22 3kvcA1 PHE 309 H -0.29 0.26 0.20 -0.55 8.34 7.96 3kvcA1 PHE 309 HA 0.12 0.13 0.57 -0.75 4.62 4.68 3kvcA1 PHE 309 HB2 0.09 -0.00 0.03 -0.04 3.15 3.23 3kvcA1 PHE 309 HB3 0.08 0.02 -0.02 -0.04 3.06 3.10 3kvcA1 PHE 309 HD2 0.01 0.12 -0.44 -0.04 7.28 6.93 3kvcA1 PHE 309 HE2 -0.20 -0.04 -0.22 -0.04 7.38 6.89 3kvcA1 PHE 309 HZ -0.39 -0.04 -0.21 -0.04 7.32 6.64 3kvcA1 ASN 310 H 0.32 0.59 0.31 -0.55 8.53 9.20 3kvcA1 ASN 310 HA -0.00 0.08 0.84 -0.75 4.76 4.93 3kvcA1 ASN 310 HB2 0.30 0.01 0.07 -0.04 2.88 3.22 3kvcA1 ASN 310 HB3 -0.28 -0.07 -0.04 -0.04 2.79 2.36 3kvcA1 ASN 310 HD21 0.24 0.27 -0.50 -0.04 7.03 6.99 3kvcA1 ASN 310 HD22 0.22 0.13 -0.12 -0.04 7.74 7.93 3kvcA1 LEU 311 H -0.33 0.24 0.12 -0.55 8.37 7.85 3kvcA1 LEU 311 HA -0.01 0.25 0.74 -0.75 4.35 4.56 3kvcA1 LEU 311 HB2 0.27 0.05 -0.25 -0.04 1.64 1.67 3kvcA1 LEU 311 HB3 -0.04 0.01 -0.01 -0.04 1.64 1.56 3kvcA1 LEU 311 HG -0.04 -0.02 -0.62 -0.04 1.64 0.92 3kvcA1 LEU 311 HD13 -0.07 0.02 -0.26 -0.04 0.93 0.58 3kvcA1 LEU 311 HD23 -0.18 0.00 -0.21 -0.04 0.89 0.47 3kvcA1 PHE 312 H -0.03 0.21 0.12 -0.55 8.34 8.08 3kvcA1 PHE 312 HA -0.08 0.11 0.88 -0.75 4.62 4.77 3kvcA1 PHE 312 HB2 -0.33 0.02 0.13 -0.04 3.15 2.93 3kvcA1 PHE 312 HB3 -0.92 0.04 0.06 -0.04 3.06 2.20 3kvcA1 PHE 312 HD2 0.08 0.06 -0.06 -0.04 7.28 7.32 3kvcA1 PHE 312 HE2 -0.28 0.02 -0.10 -0.04 7.38 6.98 3kvcA1 PHE 312 HZ -0.14 -0.18 -0.03 -0.04 7.32 6.93 3kvcA1 HIS 313 H 0.11 0.13 0.17 -0.55 8.41 8.28 3kvcA1 HIS 313 HA 0.10 0.21 0.90 -0.75 4.63 5.08 3kvcA1 HIS 313 HB2 0.09 -0.10 0.16 -0.04 3.26 3.38 3kvcA1 HIS 313 HB3 0.03 0.28 0.01 -0.04 3.20 3.48 3kvcA1 HIS 313 HD2 -0.42 0.11 -0.08 -0.04 6.97 6.54 3kvcA1 HIS 313 HE1 -0.56 0.02 0.02 -0.04 7.75 7.19 3kvcA1 HIS 314 H 0.30 0.15 0.10 -0.55 8.41 8.42 3kvcA1 HIS 314 HA 0.08 0.04 0.67 -0.75 4.63 4.67 3kvcA1 HIS 314 HB2 0.05 0.07 0.02 -0.04 3.26 3.36 3kvcA1 HIS 314 HB3 0.06 0.00 -0.15 -0.04 3.20 3.07 3kvcA1 HIS 314 HD2 0.09 -0.00 -0.39 -0.04 6.97 6.63 3kvcA1 HIS 314 HE1 0.02 -0.03 -0.23 -0.04 7.75 7.47 3kvcA1 ILE 315 H 0.13 0.73 0.30 -0.55 8.25 8.86 3kvcA1 ILE 315 HA 0.15 0.19 0.67 -0.75 4.18 4.44 3kvcA1 ILE 315 HB 0.15 -0.06 -0.03 -0.04 1.89 1.90 3kvcA1 ILE 315 HG12 0.23 0.05 -0.19 -0.04 1.49 1.54 3kvcA1 ILE 315 HG13 0.13 -0.05 -0.28 -0.04 1.21 0.96 3kvcA1 ILE 315 HG23 0.21 -0.01 -0.27 -0.04 0.93 0.82 3kvcA1 ILE 315 HD13 0.11 -0.02 -0.25 -0.04 0.88 0.68 3kvcA1 ASN 316 H 0.09 0.30 0.25 -0.55 8.53 8.63 3kvcA1 ASN 316 HA -0.01 0.11 0.38 -0.75 4.76 4.48 3kvcA1 ASN 316 HB2 -0.55 0.08 -0.17 -0.04 2.88 2.20 3kvcA1 ASN 316 HB3 -0.64 -0.04 -0.16 -0.04 2.79 1.91 3kvcA1 ASN 316 HD21 -0.24 0.42 0.20 -0.04 7.03 7.37 3kvcA1 ASN 316 HD22 -1.32 -0.13 -0.07 -0.04 7.74 6.18 3kvcA1 THR 317 H -0.02 0.31 0.23 -0.55 8.28 8.25 3kvcA1 THR 317 HA 0.02 0.36 0.98 -0.75 4.39 5.00 3kvcA1 THR 317 HB -0.04 0.05 -0.07 -0.04 4.32 4.22 3kvcA1 THR 317 HG23 -0.00 -0.01 -0.19 -0.04 1.22 0.98 3kvcA1 TYR 318 H -0.18 0.51 0.26 -0.55 8.29 8.33 3kvcA1 TYR 318 HA 0.00 0.20 0.21 -0.75 4.56 4.22 3kvcA1 TYR 318 HB2 0.03 -0.01 0.03 -0.04 3.06 3.07 3kvcA1 TYR 318 HB3 0.01 0.18 -0.54 -0.04 2.98 2.59 3kvcA1 TYR 318 HD2 0.09 0.14 -0.38 -0.04 7.15 6.96 3kvcA1 TYR 318 HE2 0.15 -0.00 -0.14 -0.04 6.85 6.82 3kvcA1 GLU 319 H 0.24 0.25 0.22 -0.55 8.60 8.76 3kvcA1 GLU 319 HA 0.04 0.24 0.79 -0.75 4.29 4.61 3kvcA1 GLU 319 HB2 0.12 -0.00 0.18 -0.04 2.09 2.35 3kvcA1 GLU 319 HB3 0.12 0.08 0.03 -0.04 1.99 2.17 3kvcA1 GLU 319 HG2 0.19 0.04 -0.10 -0.04 2.34 2.43 3kvcA1 GLU 319 HG3 0.14 -0.05 -0.05 -0.04 2.34 2.35 3kvcA1 ASP 320 H 0.11 0.72 0.19 -0.55 8.40 8.87 3kvcA1 ASP 320 HA 0.10 0.09 0.72 -0.75 4.63 4.79 3kvcA1 ASP 320 HB2 0.25 0.05 -0.20 -0.04 2.71 2.77 3kvcA1 ASP 320 HB3 0.14 -0.03 0.02 -0.04 2.70 2.80 3kvcA1 HIS 321 H -0.13 0.15 0.08 -0.55 8.41 7.97 3kvcA1 HIS 321 HA 0.08 0.06 0.32 -0.75 4.63 4.33 3kvcA1 HIS 321 HB2 0.30 0.10 0.37 -0.04 3.26 4.00 3kvcA1 HIS 321 HB3 0.12 -0.01 0.24 -0.04 3.20 3.51 3kvcA1 HIS 321 HD2 0.06 0.02 0.04 -0.04 6.97 7.04 3kvcA1 HIS 321 HE1 0.04 0.01 -0.03 -0.04 7.75 7.73 3kvcA1 GLU 322 H 0.13 0.13 0.17 -0.55 8.60 8.48 3kvcA1 GLU 322 HA -0.04 0.25 0.68 -0.75 4.29 4.44 3kvcA1 GLU 322 HB2 -0.35 0.00 0.18 -0.04 2.09 1.88 3kvcA1 GLU 322 HB3 -0.21 -0.06 0.22 -0.04 1.99 1.90 3kvcA1 GLU 322 HG2 0.01 -0.07 -0.09 -0.04 2.34 2.14 3kvcA1 GLU 322 HG3 -0.06 0.01 0.01 -0.04 2.34 2.26 3kvcA1 PHE 323 H 0.22 0.51 -0.55 -0.55 8.34 7.97 3kvcA1 PHE 323 HA -0.06 0.24 0.97 -0.75 4.62 5.02 3kvcA1 PHE 323 HB2 -0.01 0.09 -0.01 -0.04 3.15 3.17 3kvcA1 PHE 323 HB3 -0.06 0.03 -0.21 -0.04 3.06 2.78 3kvcA1 PHE 323 HD2 0.01 0.11 -0.21 -0.04 7.28 7.15 3kvcA1 PHE 323 HE2 -0.04 0.06 -0.07 -0.04 7.38 7.29 3kvcA1 PHE 323 HZ -0.03 0.12 0.15 -0.04 7.32 7.52 3kvcA1 LEU 324 H -0.04 0.60 0.23 -0.55 8.37 8.61 3kvcA1 LEU 324 HA -0.09 0.25 1.00 -0.75 4.35 4.75 3kvcA1 LEU 324 HB2 -0.17 -0.02 0.07 -0.04 1.64 1.48 3kvcA1 LEU 324 HB3 -0.12 0.02 -0.17 -0.04 1.64 1.33 3kvcA1 LEU 324 HG -0.33 -0.01 -0.22 -0.04 1.64 1.04 3kvcA1 LEU 324 HD13 -0.26 -0.00 -0.18 -0.04 0.93 0.44 3kvcA1 LEU 324 HD23 -0.06 0.01 -0.20 -0.04 0.89 0.59 3kvcA1 ILE 325 H -0.28 0.80 0.27 -0.55 8.25 8.49 3kvcA1 ILE 325 HA -0.17 0.19 0.78 -0.75 4.18 4.22 3kvcA1 ILE 325 HB -1.10 -0.09 0.10 -0.04 1.89 0.76 3kvcA1 ILE 325 HG12 -0.56 0.09 -0.18 -0.04 1.49 0.81 3kvcA1 ILE 325 HG13 -0.65 -0.01 -0.15 -0.04 1.21 0.36 3kvcA1 ILE 325 HG23 -0.20 0.00 -0.19 -0.04 0.93 0.50 3kvcA1 ILE 325 HD13 -0.12 -0.01 -0.33 -0.04 0.88 0.38 3kvcA1 VAL 326 H -0.05 0.79 0.25 -0.55 8.24 8.68 3kvcA1 VAL 326 HA 0.03 0.14 0.85 -0.75 4.13 4.39 3kvcA1 VAL 326 HB 0.04 -0.05 0.06 -0.04 2.12 2.13 3kvcA1 VAL 326 HG13 0.07 -0.00 -0.21 -0.04 0.97 0.78 3kvcA1 VAL 326 HG23 -0.06 0.02 -0.37 -0.04 0.95 0.50 3kvcA1 ASP 327 H 0.08 0.67 0.33 -0.55 8.40 8.94 3kvcA1 ASP 327 HA 0.03 0.26 0.94 -0.75 4.63 5.10 3kvcA1 ASP 327 HB2 0.18 -0.02 0.18 -0.04 2.71 3.01 3kvcA1 ASP 327 HB3 0.13 0.01 -0.03 -0.04 2.70 2.76 3kvcA1 LEU 328 H -0.01 0.62 0.39 -0.55 8.37 8.82 3kvcA1 LEU 328 HA -0.03 0.09 1.01 -0.75 4.35 4.67 3kvcA1 LEU 328 HB2 -0.10 -0.00 -0.02 -0.04 1.64 1.48 3kvcA1 LEU 328 HB3 -0.14 0.05 -0.19 -0.04 1.64 1.32 3kvcA1 LEU 328 HG 0.00 0.07 -0.41 -0.04 1.64 1.26 3kvcA1 LEU 328 HD13 -0.05 -0.00 -0.21 -0.04 0.93 0.62 3kvcA1 LEU 328 HD23 -0.42 0.02 -0.28 -0.04 0.89 0.17 3kvcA1 CYS 329 H 0.04 0.66 0.28 -0.55 8.50 8.93 3kvcA1 CYS 329 HA -0.02 0.11 0.97 -0.75 4.58 4.88 3kvcA1 CYS 329 HB2 0.18 -0.13 0.31 -0.04 2.97 3.28 3kvcA1 CYS 329 HB3 0.07 0.06 0.13 -0.04 2.97 3.19 3kvcA1 CYS 330 H -0.18 0.68 0.34 -0.55 8.50 8.80 3kvcA1 CYS 330 HA -0.03 0.23 0.87 -0.75 4.58 4.90 3kvcA1 CYS 330 HB2 -0.27 0.13 0.09 -0.04 2.97 2.88 3kvcA1 CYS 330 HB3 -0.35 -0.02 -0.02 -0.04 2.97 2.54 3kvcA1 TRP 331 H 0.32 0.55 0.21 -0.55 7.97 8.50 3kvcA1 TRP 331 HA 0.09 0.22 0.47 -0.75 4.62 4.64 3kvcA1 TRP 331 HB2 0.17 -0.11 0.07 -0.04 3.23 3.33 3kvcA1 TRP 331 HB3 0.18 0.05 -0.17 -0.04 3.23 3.25 3kvcA1 TRP 331 HD1 0.20 -0.02 -0.34 -0.04 7.22 7.01 3kvcA1 TRP 331 HE1 0.35 -0.05 -0.15 -0.04 10.20 10.31 3kvcA1 TRP 331 HE3 0.10 0.16 -0.44 -0.04 7.59 7.37 3kvcA1 TRP 331 HZ2 0.24 -0.02 -0.11 -0.04 7.44 7.50 3kvcA1 TRP 331 HZ3 -0.20 0.09 -0.04 -0.04 7.13 6.93 3kvcA1 TRP 331 HH2 -0.04 -0.04 -0.10 -0.04 7.19 6.97 3kvcA1 LYS 332 H 0.15 0.81 0.14 -0.55 8.42 8.96 3kvcA1 LYS 332 HA 0.20 0.06 0.46 -0.75 4.32 4.28 3kvcA1 LYS 332 HB2 0.08 -0.09 0.26 -0.04 1.87 2.07 3kvcA1 LYS 332 HB3 0.09 -0.00 0.07 -0.04 1.79 1.90 3kvcA1 LYS 332 HG2 0.05 -0.01 -0.02 -0.04 1.46 1.43 3kvcA1 LYS 332 HG3 0.01 -0.02 -0.03 -0.04 1.46 1.38 3kvcA1 LYS 332 HD2 -0.05 -0.02 -0.13 -0.04 1.69 1.46 3kvcA1 LYS 332 HD3 -0.01 0.03 -0.07 -0.04 1.68 1.59 3kvcA1 LYS 332 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 3kvcA1 LYS 332 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.91 3kvcA1 GLY 333 H 0.21 0.37 0.35 -0.55 8.43 8.81 3kvcA1 GLY 333 HA2 -0.01 0.00 0.26 -0.51 4.01 3.76 3kvcA1 GLY 333 HA3 0.02 0.15 0.81 -0.51 4.01 4.48 3kvcA1 PHE 334 H -0.50 0.09 0.10 -0.55 8.34 7.48 3kvcA1 PHE 334 HA 0.09 0.26 0.86 -0.75 4.62 5.08 3kvcA1 PHE 334 HB2 0.05 -0.01 -0.02 -0.04 3.15 3.13 3kvcA1 PHE 334 HB3 0.05 0.02 -0.04 -0.04 3.06 3.04 3kvcA1 PHE 334 HD2 0.08 0.00 -0.19 -0.04 7.28 7.12 3kvcA1 PHE 334 HE2 0.07 0.04 0.00 -0.04 7.38 7.45 3kvcA1 PHE 334 HZ 0.06 0.00 0.00 -0.04 7.32 7.35 3kvcA1 GLU 335 H -0.00 0.03 -0.02 -0.55 8.60 8.06 3kvcA1 GLU 335 HA 0.30 0.01 0.43 -0.75 4.29 4.28 3kvcA1 GLU 335 HB2 0.14 -0.01 0.06 -0.04 2.09 2.24 3kvcA1 GLU 335 HB3 0.21 0.06 -0.06 -0.04 1.99 2.15 3kvcA1 GLU 335 HG2 0.25 0.06 -0.17 -0.04 2.34 2.44 3kvcA1 GLU 335 HG3 0.20 -0.04 0.01 -0.04 2.34 2.47 3kvcA1 PHE 336 H 0.34 0.11 0.09 -0.55 8.34 8.32 3kvcA1 PHE 336 HA 0.08 0.05 0.49 -0.75 4.62 4.49 3kvcA1 PHE 336 HB2 0.06 0.09 0.08 -0.04 3.15 3.35 3kvcA1 PHE 336 HB3 0.03 -0.02 0.10 -0.04 3.06 3.13 3kvcA1 PHE 336 HD2 -0.13 0.04 0.02 -0.04 7.28 7.18 3kvcA1 PHE 336 HE2 -1.08 0.04 -0.04 -0.04 7.38 6.25 3kvcA1 PHE 336 HZ -1.43 0.03 -0.05 -0.04 7.32 5.83 3kvcA1 VAL 337 H 0.31 0.20 0.13 -0.55 8.24 8.33 3kvcA1 VAL 337 HA 0.12 0.15 0.29 -0.75 4.13 3.93 3kvcA1 VAL 337 HB -0.02 -0.06 0.05 -0.04 2.12 2.05 3kvcA1 VAL 337 HG13 -0.73 0.02 -0.12 -0.04 0.97 0.09 3kvcA1 VAL 337 HG23 -0.15 0.05 -0.04 -0.04 0.95 0.76 3kvcA1 TYR 338 H -0.84 0.05 -0.36 -0.55 8.29 6.59 3kvcA1 TYR 338 HA -0.42 0.10 0.20 -0.75 4.56 3.69 3kvcA1 TYR 338 HB2 -2.06 0.01 -0.04 -0.04 3.06 0.93 3kvcA1 TYR 338 HB3 -0.46 -0.02 -0.02 -0.04 2.98 2.44 3kvcA1 TYR 338 HD2 -0.58 -0.03 -0.12 -0.04 7.15 6.38 3kvcA1 TYR 338 HE2 -0.95 0.03 -0.06 -0.04 6.85 5.83 3kvcA1 ASN 339 H -0.13 0.50 -0.53 -0.55 8.53 7.81 3kvcA1 ASN 339 HA 0.06 -0.01 0.35 -0.75 4.76 4.41 3kvcA1 ASN 339 HB2 -0.18 0.15 -0.02 -0.04 2.88 2.79 3kvcA1 ASN 339 HB3 -0.18 -0.02 0.03 -0.04 2.79 2.58 3kvcA1 ASN 339 HD21 0.16 -0.06 0.01 -0.04 7.03 7.10 3kvcA1 ASN 339 HD22 0.05 0.03 -0.02 -0.04 7.74 7.76 3kvcA1 TYR 340 H -0.07 0.54 -0.38 -0.55 8.29 7.83 3kvcA1 TYR 340 HA -0.10 0.13 0.66 -0.75 4.56 4.50 3kvcA1 TYR 340 HB2 -0.73 0.15 0.06 -0.04 3.06 2.50 3kvcA1 TYR 340 HB3 -0.52 0.01 0.09 -0.04 2.98 2.52 3kvcA1 TYR 340 HD2 -0.01 0.07 -0.02 -0.04 7.15 7.15 3kvcA1 TYR 340 HE2 0.09 0.06 -0.08 -0.04 6.85 6.88 3kvcA1 LEU 341 H -0.26 0.36 -0.38 -0.55 8.37 7.55 3kvcA1 LEU 341 HA -0.42 0.31 0.74 -0.75 4.35 4.21 3kvcA1 LEU 341 HB2 -0.67 -0.01 0.08 -0.04 1.64 1.00 3kvcA1 LEU 341 HB3 -0.76 -0.05 0.14 -0.04 1.64 0.93 3kvcA1 LEU 341 HG -0.48 0.02 -0.22 -0.04 1.64 0.92 3kvcA1 LEU 341 HD13 -0.38 -0.02 -0.10 -0.04 0.93 0.38 3kvcA1 LEU 341 HD23 -0.54 0.08 -0.20 -0.04 0.89 0.19 3kvcA1 TYR 342 H -0.06 0.20 -0.17 -0.55 8.29 7.72 3kvcA1 TYR 342 HA -0.34 -0.01 0.93 -0.75 4.56 4.38 3kvcA1 TYR 342 HB2 -0.11 0.03 0.11 -0.04 3.06 3.06 3kvcA1 TYR 342 HB3 -0.04 -0.02 0.10 -0.04 2.98 2.98 3kvcA1 TYR 342 HD2 0.03 0.12 -0.05 -0.04 7.15 7.20 3kvcA1 TYR 342 HE2 0.05 0.04 0.02 -0.04 6.85 6.91 3kvcA1 LEU 343 H -0.03 0.66 0.36 -0.55 8.37 8.81 3kvcA1 LEU 343 HA -0.34 0.08 0.28 -0.75 4.35 3.62 3kvcA1 LEU 343 HB2 0.05 0.06 0.04 -0.04 1.64 1.75 3kvcA1 LEU 343 HB3 -0.08 0.07 -0.03 -0.04 1.64 1.55 3kvcA1 LEU 343 HG -0.04 -0.20 -0.52 -0.04 1.64 0.84 3kvcA1 LEU 343 HD13 0.25 0.05 -0.20 -0.04 0.93 0.99 3kvcA1 LEU 343 HD23 -0.20 0.02 -0.09 -0.04 0.89 0.58 3kvcA1 ALA 344 H 0.08 0.12 -0.15 -0.55 8.40 7.90 3kvcA1 ALA 344 HA 0.02 0.10 0.36 -0.75 4.34 4.07 3kvcA1 ALA 344 HB3 0.04 0.00 0.04 -0.04 1.41 1.45 3kvcA1 ASN 345 H -0.00 0.14 -0.37 -0.55 8.53 7.75 3kvcA1 ASN 345 HA 0.01 0.07 0.54 -0.75 4.76 4.63 3kvcA1 ASN 345 HB2 -0.02 0.12 0.06 -0.04 2.88 3.00 3kvcA1 ASN 345 HB3 0.02 0.05 0.03 -0.04 2.79 2.85 3kvcA1 ASN 345 HD21 -0.03 -0.02 -0.06 -0.04 7.03 6.87 3kvcA1 ASN 345 HD22 0.00 0.03 -0.07 -0.04 7.74 7.67 3kvcA1 LEU 346 H -0.15 0.40 -0.05 -0.55 8.37 8.02 3kvcA1 LEU 346 HA -0.02 0.10 0.31 -0.75 4.35 3.98 3kvcA1 LEU 346 HB2 -0.70 -0.03 -0.01 -0.04 1.64 0.86 3kvcA1 LEU 346 HB3 -0.56 0.02 0.00 -0.04 1.64 1.05 3kvcA1 LEU 346 HG -0.31 0.01 -0.09 -0.04 1.64 1.21 3kvcA1 LEU 346 HD13 -0.48 -0.03 -0.07 -0.04 0.93 0.31 3kvcA1 LEU 346 HD23 -0.04 0.02 -0.04 -0.04 0.89 0.79 3kvcA1 ARG 347 H -0.04 0.34 -0.46 -0.55 8.46 7.75 3kvcA1 ARG 347 HA 0.20 0.13 0.76 -0.75 4.34 4.67 3kvcA1 ARG 347 HB2 0.02 0.05 0.03 -0.04 1.90 1.95 3kvcA1 ARG 347 HB3 0.04 -0.10 0.12 -0.04 1.80 1.82 3kvcA1 ARG 347 HG2 0.10 0.00 0.01 -0.04 1.67 1.74 3kvcA1 ARG 347 HG3 -0.07 -0.01 -0.06 -0.04 1.67 1.49 3kvcA1 ARG 347 HD2 -0.02 -0.03 -0.15 -0.04 3.22 2.98 3kvcA1 ARG 347 HD3 0.01 -0.07 -0.03 -0.04 3.22 3.08 3kvcA1 GLU 348 H 0.11 0.37 -0.39 -0.55 8.60 8.14 3kvcA1 GLU 348 HA 0.09 -0.00 0.56 -0.75 4.29 4.18 3kvcA1 GLU 348 HB2 0.09 0.16 0.05 -0.04 2.09 2.34 3kvcA1 GLU 348 HB3 0.08 -0.18 0.11 -0.04 1.99 1.96 3kvcA1 GLU 348 HG2 0.05 -0.08 0.05 -0.04 2.34 2.32 3kvcA1 GLU 348 HG3 0.04 0.30 0.20 -0.04 2.34 2.84 3kvcA1 ASN 349 H 0.10 0.03 0.16 -0.55 8.53 8.28 3kvcA1 ASN 349 HA 0.23 0.22 0.66 -0.75 4.76 5.11 3kvcA1 ASN 349 HB2 0.10 -0.05 0.14 -0.04 2.88 3.03 3kvcA1 ASN 349 HB3 0.15 -0.10 0.13 -0.04 2.79 2.93 3kvcA1 ASN 349 HD21 0.05 0.04 0.04 -0.04 7.03 7.12 3kvcA1 ASN 349 HD22 0.06 -0.05 0.07 -0.04 7.74 7.77 3kvcA1 TRP 350 H 0.43 0.20 0.16 -0.55 7.97 8.21 3kvcA1 TRP 350 HA 0.17 0.19 0.16 -0.75 4.62 4.40 3kvcA1 TRP 350 HB2 0.28 0.27 -0.00 -0.04 3.23 3.74 3kvcA1 TRP 350 HB3 0.12 -0.08 0.05 -0.04 3.23 3.29 3kvcA1 TRP 350 HD1 0.04 0.02 -0.11 -0.04 7.22 7.13 3kvcA1 TRP 350 HE1 -0.03 0.10 -0.01 -0.04 10.20 10.22 3kvcA1 TRP 350 HE3 -0.07 0.06 0.01 -0.04 7.59 7.55 3kvcA1 TRP 350 HZ2 0.00 0.17 0.02 -0.04 7.44 7.59 3kvcA1 TRP 350 HZ3 -0.10 0.14 -0.01 -0.04 7.13 7.12 3kvcA1 TRP 350 HH2 0.19 0.13 -0.10 -0.04 7.19 7.37 3kvcA1 GLU 351 H 0.14 0.10 -0.02 -0.55 8.60 8.27 3kvcA1 GLU 351 HA -0.31 0.10 0.48 -0.75 4.29 3.81 3kvcA1 GLU 351 HB2 0.02 -0.02 0.04 -0.04 2.09 2.09 3kvcA1 GLU 351 HB3 -0.04 0.05 0.01 -0.04 1.99 1.96 3kvcA1 GLU 351 HG2 0.10 -0.06 0.06 -0.04 2.34 2.41 3kvcA1 GLU 351 HG3 0.04 0.04 0.03 -0.04 2.34 2.40 3kvcA1 GLU 352 H 0.01 0.15 -0.38 -0.55 8.60 7.83 3kvcA1 GLU 352 HA -0.04 0.04 0.53 -0.75 4.29 4.07 3kvcA1 GLU 352 HB2 0.05 0.18 0.07 -0.04 2.09 2.34 3kvcA1 GLU 352 HB3 0.02 0.02 0.02 -0.04 1.99 2.01 3kvcA1 GLU 352 HG2 0.03 0.02 0.03 -0.04 2.34 2.37 3kvcA1 GLU 352 HG3 0.01 0.01 -0.00 -0.04 2.34 2.31 3kvcA1 VAL 353 H -0.03 0.44 -0.10 -0.55 8.24 7.99 3kvcA1 VAL 353 HA 0.01 0.08 0.47 -0.75 4.13 3.93 3kvcA1 VAL 353 HB -0.13 -0.04 0.09 -0.04 2.12 2.00 3kvcA1 VAL 353 HG13 -0.00 -0.01 -0.09 -0.04 0.97 0.83 3kvcA1 VAL 353 HG23 0.15 0.06 -0.12 -0.04 0.95 1.00 3kvcA1 LYS 354 H -0.67 0.53 -0.10 -0.55 8.42 7.62 3kvcA1 LYS 354 HA -0.48 0.07 0.44 -0.75 4.32 3.60 3kvcA1 LYS 354 HB2 -0.57 0.03 0.11 -0.04 1.87 1.40 3kvcA1 LYS 354 HB3 -0.55 -0.04 -0.01 -0.04 1.79 1.15 3kvcA1 LYS 354 HG2 -1.93 0.02 -0.01 -0.04 1.46 -0.49 3kvcA1 LYS 354 HG3 -2.17 0.11 0.04 -0.04 1.46 -0.59 3kvcA1 LYS 354 HD2 -0.52 -0.00 -0.04 -0.04 1.69 1.09 3kvcA1 LYS 354 HD3 -0.54 -0.01 -0.05 -0.04 1.68 1.04 3kvcA1 LYS 354 HE2 -0.76 -0.06 -0.12 -0.04 2.99 2.01 3kvcA1 LYS 354 HE3 -0.37 0.03 -0.00 -0.04 2.99 2.60 3kvcA1 LYS 355 H -0.17 0.45 -0.19 -0.55 8.42 7.95 3kvcA1 LYS 355 HA -0.03 -0.01 0.43 -0.75 4.32 3.95 3kvcA1 LYS 355 HB2 -0.06 0.11 0.19 -0.04 1.87 2.06 3kvcA1 LYS 355 HB3 -0.02 0.07 0.13 -0.04 1.79 1.92 3kvcA1 LYS 355 HG2 0.01 -0.01 -0.03 -0.04 1.46 1.39 3kvcA1 LYS 355 HG3 -0.01 -0.04 0.07 -0.04 1.46 1.44 3kvcA1 LYS 355 HD2 -0.01 -0.03 -0.00 -0.04 1.69 1.61 3kvcA1 LYS 355 HD3 -0.00 0.00 -0.01 -0.04 1.68 1.63 3kvcA1 LYS 355 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 3kvcA1 LYS 355 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.93 3kvcA1 ASN 356 H 0.00 0.61 -0.20 -0.55 8.53 8.40 3kvcA1 ASN 356 HA 0.10 -0.04 0.38 -0.75 4.76 4.45 3kvcA1 ASN 356 HB2 0.10 0.20 0.16 -0.04 2.88 3.29 3kvcA1 ASN 356 HB3 0.15 -0.07 0.07 -0.04 2.79 2.90 3kvcA1 ASN 356 HD21 0.03 -0.12 -0.03 -0.04 7.03 6.87 3kvcA1 ASN 356 HD22 0.05 0.08 -0.01 -0.04 7.74 7.82 3kvcA1 ALA 357 H 0.10 0.43 -0.36 -0.55 8.40 8.03 3kvcA1 ALA 357 HA 0.13 0.06 0.62 -0.75 4.34 4.40 3kvcA1 ALA 357 HB3 0.10 0.03 0.10 -0.04 1.41 1.60 3kvcA1 ARG 358 H 0.08 0.45 -0.26 -0.55 8.46 8.17 3kvcA1 ARG 358 HA 0.04 0.01 0.32 -0.75 4.34 3.95 3kvcA1 ARG 358 HB2 0.05 0.24 0.18 -0.04 1.90 2.34 3kvcA1 ARG 358 HB3 0.04 -0.07 -0.05 -0.04 1.80 1.68 3kvcA1 ARG 358 HG2 0.03 -0.07 0.05 -0.04 1.67 1.63 3kvcA1 ARG 358 HG3 0.03 0.09 0.06 -0.04 1.67 1.81 3kvcA1 ARG 358 HD2 0.01 -0.08 0.01 -0.04 3.22 3.12 3kvcA1 ARG 358 HD3 0.00 -0.01 0.10 -0.04 3.22 3.28 3kvcA1 LYS 359 H 0.11 0.15 -0.23 -0.55 8.42 7.91 3kvcA1 LYS 359 HA 0.06 0.17 0.79 -0.75 4.32 4.58 3kvcA1 LYS 359 HB2 0.16 0.02 -0.01 -0.04 1.87 2.00 3kvcA1 LYS 359 HB3 0.11 -0.04 0.11 -0.04 1.79 1.92 3kvcA1 LYS 359 HG2 0.06 -0.01 -0.02 -0.04 1.46 1.45 3kvcA1 LYS 359 HG3 0.07 -0.04 -0.16 -0.04 1.46 1.28 3kvcA1 LYS 359 HD2 0.08 0.04 -0.02 -0.04 1.69 1.75 3kvcA1 LYS 359 HD3 0.08 -0.03 -0.01 -0.04 1.68 1.68 3kvcA1 LYS 359 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 3kvcA1 LYS 359 HE3 0.04 0.01 -0.03 -0.04 2.99 2.97 3kvcA1 ALA 360 H -0.03 0.35 -0.41 -0.55 8.40 7.76 3kvcA1 ALA 360 HA -0.22 -0.01 0.40 -0.75 4.34 3.76 3kvcA1 ALA 360 HB3 -0.45 0.02 0.08 -0.04 1.41 1.02 3kvcA1 PRO 361 HA 0.14 0.18 0.58 -0.51 4.44 4.83 3kvcA1 PRO 361 HB2 0.45 -0.11 -0.23 -0.04 2.28 2.35 3kvcA1 PRO 361 HB3 0.26 0.14 -0.47 -0.04 2.02 1.91 3kvcA1 PRO 361 HG2 0.20 0.03 -0.16 -0.04 2.03 2.07 3kvcA1 PRO 361 HG3 0.16 -0.06 -0.09 -0.04 2.03 2.00 3kvcA1 PRO 361 HD2 -0.01 0.04 0.08 -0.04 3.68 3.74 3kvcA1 PRO 361 HD3 0.14 0.10 0.07 -0.04 3.65 3.91 3kvcA1 GLN 362 H 0.13 0.22 0.21 -0.55 8.47 8.49 3kvcA1 GLN 362 HA 0.08 0.17 0.74 -0.75 4.36 4.60 3kvcA1 GLN 362 HB2 0.02 -0.07 0.16 -0.04 2.15 2.22 3kvcA1 GLN 362 HB3 -0.04 0.06 0.01 -0.04 2.02 2.02 3kvcA1 GLN 362 HG2 0.03 0.16 -0.03 -0.04 2.40 2.52 3kvcA1 GLN 362 HG3 0.00 -0.03 0.04 -0.04 2.39 2.36 3kvcA1 GLN 362 HE21 -0.04 -0.07 0.02 -0.04 6.97 6.83 3kvcA1 GLN 362 HE22 -0.01 0.08 0.01 -0.04 7.69 7.73 3kvcA1 PRO 363 HA -0.81 0.35 0.78 -0.51 4.44 4.25 3kvcA1 PRO 363 HB2 -0.71 -0.05 0.01 -0.04 2.28 1.49 3kvcA1 PRO 363 HB3 -2.51 0.02 0.03 -0.04 2.02 -0.48 3kvcA1 PRO 363 HG2 -0.22 0.14 -0.17 -0.04 2.03 1.74 3kvcA1 PRO 363 HG3 -0.33 -0.02 -0.26 -0.04 2.03 1.38 3kvcA1 PRO 363 HD2 -0.13 -0.01 0.24 -0.04 3.68 3.74 3kvcA1 PRO 363 HD3 -0.04 0.25 0.20 -0.04 3.65 4.02 3kvcA1 GLU 364 H -0.35 0.61 0.27 -0.55 8.60 8.58 3kvcA1 GLU 364 HA -0.05 0.15 0.77 -0.75 4.29 4.40 3kvcA1 GLU 364 HB2 -0.10 0.10 -0.28 -0.04 2.09 1.77 3kvcA1 GLU 364 HB3 -0.13 -0.09 -0.06 -0.04 1.99 1.66 3kvcA1 GLU 364 HG2 -0.11 -0.03 -0.25 -0.04 2.34 1.90 3kvcA1 GLU 364 HG3 -0.08 0.11 0.10 -0.04 2.34 2.43 3kvcA1 VAL 365 H 0.04 0.57 0.35 -0.55 8.24 8.65 3kvcA1 VAL 365 HA -0.08 0.28 1.13 -0.75 4.13 4.71 3kvcA1 VAL 365 HB -0.04 -0.10 0.19 -0.04 2.12 2.13 3kvcA1 VAL 365 HG13 -0.10 0.00 -0.17 -0.04 0.97 0.66 3kvcA1 VAL 365 HG23 -0.15 0.01 0.01 -0.04 0.95 0.77 3kvcA1 ARG 366 H -0.12 0.63 0.39 -0.55 8.46 8.82 3kvcA1 ARG 366 HA -0.18 0.20 1.15 -0.75 4.34 4.75 3kvcA1 ARG 366 HB2 -0.21 -0.02 -0.02 -0.04 1.90 1.61 3kvcA1 ARG 366 HB3 -0.49 -0.00 -0.15 -0.04 1.80 1.11 3kvcA1 ARG 366 HG2 -0.20 0.01 -0.26 -0.04 1.67 1.18 3kvcA1 ARG 366 HG3 -0.19 0.01 -0.55 -0.04 1.67 0.89 3kvcA1 ARG 366 HD2 -0.30 0.00 -0.15 -0.04 3.22 2.73 3kvcA1 ARG 366 HD3 -0.28 -0.02 -0.15 -0.04 3.22 2.73 3kvcA1 ARG 367 H -0.22 0.89 0.33 -0.55 8.46 8.91 3kvcA1 ARG 367 HA -0.07 0.25 0.97 -0.75 4.34 4.73 3kvcA1 ARG 367 HB2 -0.08 0.01 0.03 -0.04 1.90 1.82 3kvcA1 ARG 367 HB3 -0.14 0.02 0.23 -0.04 1.80 1.86 3kvcA1 ARG 367 HG2 -0.11 -0.11 -0.31 -0.04 1.67 1.09 3kvcA1 ARG 367 HG3 -0.07 0.05 -0.14 -0.04 1.67 1.46 3kvcA1 ARG 367 HD2 -0.08 0.03 -0.04 -0.04 3.22 3.09 3kvcA1 ARG 367 HD3 -0.08 -0.04 -0.12 -0.04 3.22 2.94 3kvcA1 TYR 368 H 0.06 0.69 0.26 -0.55 8.29 8.76 3kvcA1 TYR 368 HA -0.10 0.13 0.78 -0.75 4.56 4.62 3kvcA1 TYR 368 HB2 -0.10 0.03 0.03 -0.04 3.06 2.99 3kvcA1 TYR 368 HB3 -0.11 0.02 -0.10 -0.04 2.98 2.74 3kvcA1 TYR 368 HD2 -0.13 0.06 -0.19 -0.04 7.15 6.84 3kvcA1 TYR 368 HE2 -0.28 0.04 -0.21 -0.04 6.85 6.35 3kvcA1 VAL 369 H 0.02 0.28 0.05 -0.55 8.24 8.05 3kvcA1 VAL 369 HA -0.05 0.36 1.03 -0.75 4.13 4.73 3kvcA1 VAL 369 HB -0.08 0.00 -0.11 -0.04 2.12 1.90 3kvcA1 VAL 369 HG13 -0.11 -0.01 -0.33 -0.04 0.97 0.47 3kvcA1 VAL 369 HG23 -0.12 -0.01 -0.30 -0.04 0.95 0.48 3kvcA1 LEU 370 H -0.04 0.66 0.18 -0.55 8.37 8.63 3kvcA1 LEU 370 HA -0.05 0.24 0.68 -0.75 4.35 4.47 3kvcA1 LEU 370 HB2 -0.29 -0.08 0.07 -0.04 1.64 1.30 3kvcA1 LEU 370 HB3 -0.69 0.11 -0.11 -0.04 1.64 0.91 3kvcA1 LEU 370 HG -0.94 0.05 -0.17 -0.04 1.64 0.54 3kvcA1 LEU 370 HD13 -0.17 0.01 -0.42 -0.04 0.93 0.32 3kvcA1 LEU 370 HD23 -0.51 -0.01 -0.20 -0.04 0.89 0.14 3kvcA1 PRO 371 HA -0.24 0.03 0.65 -0.51 4.44 4.37 3kvcA1 PRO 371 HB2 0.02 0.09 -0.15 -0.04 2.28 2.19 3kvcA1 PRO 371 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 3kvcA1 PRO 371 HG2 0.15 0.03 -0.02 -0.04 2.03 2.15 3kvcA1 PRO 371 HG3 0.26 -0.00 -0.08 -0.04 2.03 2.17 3kvcA1 PRO 371 HD2 0.30 0.09 0.15 -0.04 3.68 4.17 3kvcA1 PRO 371 HD3 0.18 0.32 0.17 -0.04 3.65 4.28 3kvcA1 LEU 372 H -0.34 0.47 0.33 -0.55 8.37 8.28 3kvcA1 LEU 372 HA -0.05 0.12 0.66 -0.75 4.35 4.32 3kvcA1 LEU 372 HB2 -0.18 0.06 0.16 -0.04 1.64 1.64 3kvcA1 LEU 372 HB3 -0.11 -0.07 -0.00 -0.04 1.64 1.41 3kvcA1 LEU 372 HG -0.24 0.05 -0.08 -0.04 1.64 1.33 3kvcA1 LEU 372 HD13 -0.22 -0.04 -0.19 -0.04 0.93 0.44 3kvcA1 LEU 372 HD23 -0.42 -0.01 -0.14 -0.04 0.89 0.28 3kvcA1 ASN 373 H -0.23 0.08 0.06 -0.55 8.53 7.89 3kvcA1 ASN 373 HA -0.07 0.15 0.79 -0.75 4.76 4.88 3kvcA1 ASN 373 HB2 -0.14 -0.03 0.15 -0.04 2.88 2.82 3kvcA1 ASN 373 HB3 -0.07 0.01 -0.01 -0.04 2.79 2.68 3kvcA1 ASN 373 HD21 -0.04 0.00 -0.11 -0.04 7.03 6.84 3kvcA1 ASN 373 HD22 -0.05 0.13 -0.15 -0.04 7.74 7.63 3kvcA1 ILE 374 H -0.05 0.25 0.04 -0.55 8.25 7.94 3kvcA1 ILE 374 HA -0.03 0.17 0.83 -0.75 4.18 4.39 3kvcA1 ILE 374 HB -0.06 -0.01 0.09 -0.04 1.89 1.88 3kvcA1 ILE 374 HG12 -0.07 0.04 -0.28 -0.04 1.49 1.14 3kvcA1 ILE 374 HG13 -0.12 0.02 -0.10 -0.04 1.21 0.98 3kvcA1 ILE 374 HG23 -0.04 0.01 -0.15 -0.04 0.93 0.70 3kvcA1 ILE 374 HD13 -0.02 0.07 -0.35 -0.04 0.88 0.54 3kvcA1 ASP 375 H -0.02 0.26 -0.00 -0.55 8.40 8.10 3kvcA1 ASP 375 HA -0.02 0.13 0.78 -0.75 4.63 4.77 3kvcA1 ASP 375 HB2 -0.02 0.06 -0.04 -0.04 2.71 2.68 3kvcA1 ASP 375 HB3 -0.01 0.05 0.11 -0.04 2.70 2.81 3kvcA1 LYS 376 H -0.02 0.23 0.11 -0.55 8.42 8.20 3kvcA1 LYS 376 HA -0.01 0.12 0.31 -0.75 4.32 3.97 3kvcA1 LYS 376 HB2 -0.01 -0.03 0.10 -0.04 1.87 1.88 3kvcA1 LYS 376 HB3 -0.01 0.04 -0.00 -0.04 1.79 1.78 3kvcA1 LYS 376 HG2 -0.02 0.01 0.05 -0.04 1.46 1.46 3kvcA1 LYS 376 HG3 -0.02 0.02 0.04 -0.04 1.46 1.47 3kvcA1 LYS 376 HD2 -0.02 -0.02 0.05 -0.04 1.69 1.66 3kvcA1 LYS 376 HD3 -0.02 0.05 -0.01 -0.04 1.68 1.65 3kvcA1 LYS 376 HE2 -0.02 -0.00 0.02 -0.04 2.99 2.95 3kvcA1 LYS 376 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.93 3kvcA1 ALA 377 H -0.01 0.03 -0.33 -0.55 8.40 7.55 3kvcA1 ALA 377 HA -0.00 0.09 0.40 -0.75 4.34 4.07 3kvcA1 ALA 377 HB3 -0.00 0.00 0.03 -0.04 1.41 1.40 3kvcA1 ASP 378 H -0.00 0.43 -0.37 -0.55 8.40 7.91 3kvcA1 ASP 378 HA 0.01 0.16 0.62 -0.75 4.63 4.66 3kvcA1 ASP 378 HB2 0.01 0.11 0.06 -0.04 2.71 2.85 3kvcA1 ASP 378 HB3 0.02 -0.03 0.07 -0.04 2.70 2.72 3kvcA1 THR 379 H -0.00 0.40 -0.39 -0.55 8.28 7.74 3kvcA1 THR 379 HA 0.00 0.00 0.34 -0.75 4.39 3.98 3kvcA1 THR 379 HB -0.00 -0.02 0.09 -0.04 4.32 4.34 3kvcA1 THR 379 HG23 -0.01 -0.01 -0.23 -0.04 1.22 0.94 3kvcA1 GLY 380 H 0.01 0.80 0.43 -0.55 8.43 9.12 3kvcA1 GLY 380 HA2 0.01 -0.06 0.36 -0.51 4.01 3.81 3kvcA1 GLY 380 HA3 0.00 0.06 0.53 -0.51 4.01 4.09 3kvcA1 LYS 381 H 0.02 0.45 0.06 -0.55 8.42 8.39 3kvcA1 LYS 381 HA 0.02 0.16 0.93 -0.75 4.32 4.68 3kvcA1 LYS 381 HB2 0.02 0.10 -0.03 -0.04 1.87 1.92 3kvcA1 LYS 381 HB3 0.02 -0.04 0.07 -0.04 1.79 1.80 3kvcA1 LYS 381 HG2 0.01 -0.01 -0.14 -0.04 1.46 1.28 3kvcA1 LYS 381 HG3 0.01 0.14 -0.29 -0.04 1.46 1.28 3kvcA1 LYS 381 HD2 0.01 -0.02 -0.04 -0.04 1.69 1.60 3kvcA1 LYS 381 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.61 3kvcA1 LYS 381 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 3kvcA1 LYS 381 HE3 0.00 0.07 -0.04 -0.04 2.99 2.99 3kvcA1 ASN 382 H 0.03 0.15 0.16 -0.55 8.53 8.32 3kvcA1 ASN 382 HA 0.05 0.13 0.63 -0.75 4.76 4.81 3kvcA1 ASN 382 HB2 0.03 0.02 0.08 -0.04 2.88 2.97 3kvcA1 ASN 382 HB3 0.02 0.03 0.17 -0.04 2.79 2.97 3kvcA1 ASN 382 HD21 -0.03 0.22 0.02 -0.04 7.03 7.21 3kvcA1 ASN 382 HD22 -0.01 -0.01 -0.00 -0.04 7.74 7.68 3kvcA1 LEU 383 H 0.07 0.78 0.42 -0.55 8.37 9.10 3kvcA1 LEU 383 HA 0.08 0.10 0.50 -0.75 4.35 4.28 3kvcA1 LEU 383 HB2 0.15 0.02 0.06 -0.04 1.64 1.82 3kvcA1 LEU 383 HB3 0.13 -0.05 0.14 -0.04 1.64 1.82 3kvcA1 LEU 383 HG 0.07 0.16 0.11 -0.04 1.64 1.94 3kvcA1 LEU 383 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 3kvcA1 LEU 383 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 3kvcA1 VAL 384 H 0.04 0.05 -0.21 -0.55 8.24 7.56 3kvcA1 VAL 384 HA -0.18 0.03 0.55 -0.75 4.13 3.77 3kvcA1 VAL 384 HB -0.08 0.13 0.17 -0.04 2.12 2.30 3kvcA1 VAL 384 HG13 -0.35 -0.01 -0.15 -0.04 0.97 0.41 3kvcA1 VAL 384 HG23 0.02 -0.02 -0.22 -0.04 0.95 0.69 3kvcA1 THR 385 H -0.04 0.25 0.15 -0.55 8.28 8.09 3kvcA1 THR 385 HA -0.07 0.21 0.56 -0.75 4.39 4.33 3kvcA1 THR 385 HB -0.01 -0.02 0.11 -0.04 4.32 4.35 3kvcA1 THR 385 HG23 0.06 0.04 -0.10 -0.04 1.22 1.18 3kvcA1 LEU 386 H -0.49 -0.01 -0.30 -0.55 8.37 7.02 3kvcA1 LEU 386 HA -0.21 0.08 0.39 -0.75 4.35 3.85 3kvcA1 LEU 386 HB2 -0.29 0.03 -0.06 -0.04 1.64 1.27 3kvcA1 LEU 386 HB3 -0.15 -0.06 -0.01 -0.04 1.64 1.38 3kvcA1 LEU 386 HG -1.06 -0.06 -0.03 -0.04 1.64 0.45 3kvcA1 LEU 386 HD13 -0.23 0.02 -0.12 -0.04 0.93 0.56 3kvcA1 LEU 386 HD23 0.00 0.03 -0.07 -0.04 0.89 0.81 3kvcA1 PRO 387 HA -0.06 0.23 0.52 -0.51 4.44 4.62 3kvcA1 PRO 387 HB2 -0.02 0.02 0.00 -0.04 2.28 2.24 3kvcA1 PRO 387 HB3 -0.03 0.05 0.11 -0.04 2.02 2.11 3kvcA1 PRO 387 HG2 -0.00 -0.00 0.06 -0.04 2.03 2.05 3kvcA1 PRO 387 HG3 0.00 0.04 0.07 -0.04 2.03 2.10 3kvcA1 PRO 387 HD2 -0.04 0.03 0.18 -0.04 3.68 3.81 3kvcA1 PRO 387 HD3 -0.09 0.18 0.19 -0.04 3.65 3.89 3kvcA1 ASN 388 H -0.06 0.03 -0.25 -0.55 8.53 7.71 3kvcA1 ASN 388 HA -0.04 0.00 0.49 -0.75 4.76 4.46 3kvcA1 ASN 388 HB2 -0.03 0.00 0.13 -0.04 2.88 2.94 3kvcA1 ASN 388 HB3 -0.02 0.00 -0.01 -0.04 2.79 2.72 3kvcA1 ASN 388 HD21 0.02 -0.03 -0.11 -0.04 7.03 6.87 3kvcA1 ASN 388 HD22 -0.01 0.04 -0.03 -0.04 7.74 7.70 3kvcA1 THR 389 H -0.08 0.36 -0.29 -0.55 8.28 7.72 3kvcA1 THR 389 HA -0.08 0.21 0.79 -0.75 4.39 4.55 3kvcA1 THR 389 HB -0.10 -0.01 -0.21 -0.04 4.32 3.97 3kvcA1 THR 389 HG23 -0.15 0.04 -0.21 -0.04 1.22 0.86 3kvcA1 THR 390 H -0.08 0.11 0.13 -0.55 8.28 7.89 3kvcA1 THR 390 HA -0.06 0.26 0.85 -0.75 4.39 4.69 3kvcA1 THR 390 HB -0.05 0.01 0.15 -0.04 4.32 4.39 3kvcA1 THR 390 HG23 -0.05 0.00 -0.06 -0.04 1.22 1.07 3kvcA1 ALA 391 H -0.10 -0.09 -0.02 -0.55 8.40 7.64 3kvcA1 ALA 391 HA -0.10 0.23 0.45 -0.75 4.34 4.16 3kvcA1 ALA 391 HB3 -0.12 -0.03 0.03 -0.04 1.41 1.25 3kvcA1 THR 392 H -0.03 0.48 0.36 -0.55 8.28 8.54 3kvcA1 THR 392 HA -0.01 0.17 0.95 -0.75 4.39 4.75 3kvcA1 THR 392 HB 0.05 -0.10 0.02 -0.04 4.32 4.25 3kvcA1 THR 392 HG23 -0.00 0.07 -0.17 -0.04 1.22 1.08 3kvcA1 ALA 393 H 0.05 0.09 0.12 -0.55 8.40 8.11 3kvcA1 ALA 393 HA 0.08 0.33 0.70 -0.75 4.34 4.69 3kvcA1 ALA 393 HB3 0.11 0.04 -0.02 -0.04 1.41 1.49 3kvcA1 ILE 394 H 0.16 0.70 0.23 -0.55 8.25 8.79 3kvcA1 ILE 394 HA 0.08 0.32 0.75 -0.75 4.18 4.58 3kvcA1 ILE 394 HB 0.21 -0.05 0.14 -0.04 1.89 2.15 3kvcA1 ILE 394 HG12 0.08 0.03 -0.21 -0.04 1.49 1.35 3kvcA1 ILE 394 HG13 0.13 -0.15 -0.24 -0.04 1.21 0.91 3kvcA1 ILE 394 HG23 0.06 0.00 -0.32 -0.04 0.93 0.63 3kvcA1 ILE 394 HD13 0.21 0.02 -0.09 -0.04 0.88 0.98 3kvcA1 LEU 395 H 0.05 0.45 0.27 -0.55 8.37 8.59 3kvcA1 LEU 395 HA 0.02 0.19 0.84 -0.75 4.35 4.65 3kvcA1 LEU 395 HB2 0.02 0.01 0.04 -0.04 1.64 1.66 3kvcA1 LEU 395 HB3 0.02 -0.01 0.12 -0.04 1.64 1.73 3kvcA1 LEU 395 HG -0.01 0.02 -0.23 -0.04 1.64 1.39 3kvcA1 LEU 395 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 3kvcA1 LEU 395 HD23 -0.01 -0.05 -0.27 -0.04 0.89 0.52 3kvcA1 CYS 396 H 0.01 0.71 0.26 -0.55 8.50 8.94 3kvcA1 CYS 396 HA 0.00 0.12 0.59 -0.75 4.58 4.54 3kvcA1 CYS 396 HB2 0.00 0.02 0.06 -0.04 2.97 3.02 3kvcA1 CYS 396 HB3 -0.01 -0.14 0.12 -0.04 2.97 2.90 3kvcA1 SER 397 H -0.01 0.15 0.17 -0.55 8.46 8.23 3kvcA1 SER 397 HA -0.01 0.15 0.49 -0.75 4.49 4.37 3kvcA1 SER 397 HB2 -0.02 -0.03 0.13 -0.04 3.95 3.99 3kvcA1 SER 397 HB3 -0.01 0.04 0.07 -0.04 3.93 3.99 3kvcA1 ASP 398 H -0.02 0.04 -0.08 -0.55 8.40 7.79 3kvcA1 ASP 398 HA -0.02 0.18 0.62 -0.75 4.63 4.65 3kvcA1 ASP 398 HB2 -0.03 0.07 0.15 -0.04 2.71 2.86 3kvcA1 ASP 398 HB3 -0.02 -0.01 0.09 -0.04 2.70 2.72 3kvcA1 GLU 399 H -0.03 0.27 -0.75 -0.55 8.60 7.54 3kvcA1 GLU 399 HA -0.05 0.10 0.22 -0.75 4.29 3.81 3kvcA1 GLU 399 HB2 -0.06 0.25 -0.07 -0.04 2.09 2.18 3kvcA1 GLU 399 HB3 -0.07 -0.05 0.12 -0.04 1.99 1.95 3kvcA1 GLU 399 HG2 -0.04 -0.02 -0.02 -0.04 2.34 2.22 3kvcA1 GLU 399 HG3 -0.03 0.05 -0.21 -0.04 2.34 2.10 3kvcA1 THR 400 H -0.05 -0.05 -0.51 -0.55 8.28 7.11 3kvcA1 THR 400 HA -0.14 0.21 0.63 -0.75 4.39 4.34 3kvcA1 THR 400 HB -0.04 0.10 0.01 -0.04 4.32 4.35 3kvcA1 THR 400 HG23 -0.14 0.02 -0.03 -0.04 1.22 1.03 3kvcA1 ILE 401 H -0.09 0.73 0.25 -0.55 8.25 8.58 3kvcA1 ILE 401 HA 0.04 0.27 0.91 -0.75 4.18 4.64 3kvcA1 ILE 401 HB -0.12 -0.04 0.02 -0.04 1.89 1.71 3kvcA1 ILE 401 HG12 -0.06 -0.03 -0.14 -0.04 1.49 1.21 3kvcA1 ILE 401 HG13 -0.08 0.08 -0.38 -0.04 1.21 0.79 3kvcA1 ILE 401 HG23 0.12 -0.01 -0.21 -0.04 0.93 0.79 3kvcA1 ILE 401 HD13 -0.40 0.00 -0.14 -0.04 0.88 0.30 3kvcA1 TRP 402 H 0.24 0.45 0.20 -0.55 7.97 8.31 3kvcA1 TRP 402 HA 0.02 0.27 0.81 -0.75 4.62 4.96 3kvcA1 TRP 402 HB2 -0.00 -0.04 0.04 -0.04 3.23 3.19 3kvcA1 TRP 402 HB3 0.02 -0.08 0.13 -0.04 3.23 3.25 3kvcA1 TRP 402 HD1 0.04 -0.09 -0.27 -0.04 7.22 6.85 3kvcA1 TRP 402 HE1 0.05 -0.04 -0.07 -0.04 10.20 10.11 3kvcA1 TRP 402 HE3 -0.00 -0.03 -0.13 -0.04 7.59 7.38 3kvcA1 TRP 402 HZ2 0.08 -0.03 0.00 -0.04 7.44 7.45 3kvcA1 TRP 402 HZ3 0.04 0.08 -0.17 -0.04 7.13 7.03 3kvcA1 TRP 402 HH2 0.07 0.01 -0.27 -0.04 7.19 6.96 3kvcA1 LEU 403 H -0.73 0.69 0.50 -0.55 8.37 8.29 3kvcA1 LEU 403 HA -0.04 0.25 0.91 -0.75 4.35 4.71 3kvcA1 LEU 403 HB2 -0.17 -0.05 0.05 -0.04 1.64 1.43 3kvcA1 LEU 403 HB3 0.11 -0.02 0.05 -0.04 1.64 1.74 3kvcA1 LEU 403 HG -0.09 0.09 0.08 -0.04 1.64 1.68 3kvcA1 LEU 403 HD13 -0.16 -0.03 -0.15 -0.04 0.93 0.54 3kvcA1 LEU 403 HD23 0.08 0.00 -0.11 -0.04 0.89 0.83 3kvcA1 GLU 404 H 0.00 0.49 0.36 -0.55 8.60 8.90 3kvcA1 GLU 404 HA 0.01 0.18 0.79 -0.75 4.29 4.52 3kvcA1 GLU 404 HB2 0.03 -0.08 0.13 -0.04 2.09 2.13 3kvcA1 GLU 404 HB3 0.03 0.10 0.07 -0.04 1.99 2.15 3kvcA1 GLU 404 HG2 0.25 -0.03 -0.35 -0.04 2.34 2.18 3kvcA1 GLU 404 HG3 0.18 -0.02 -0.05 -0.04 2.34 2.40 3kvcA1 PRO 405 HA -0.58 0.20 0.55 -0.51 4.44 4.09 3kvcA1 PRO 405 HB2 -0.51 0.01 -0.16 -0.04 2.28 1.58 3kvcA1 PRO 405 HB3 -1.54 0.00 -0.13 -0.04 2.02 0.31 3kvcA1 PRO 405 HG2 -0.20 0.02 -0.04 -0.04 2.03 1.77 3kvcA1 PRO 405 HG3 -0.20 0.05 -0.04 -0.04 2.03 1.80 3kvcA1 PRO 405 HD2 -0.06 0.10 0.17 -0.04 3.68 3.85 3kvcA1 PRO 405 HD3 -0.01 0.14 0.16 -0.04 3.65 3.90 3kvcA1 GLU 406 H -0.27 0.57 0.35 -0.55 8.60 8.71 3kvcA1 GLU 406 HA -0.14 0.15 0.60 -0.75 4.29 4.16 3kvcA1 GLU 406 HB2 -0.12 -0.22 0.14 -0.04 2.09 1.85 3kvcA1 GLU 406 HB3 -0.14 0.01 0.21 -0.04 1.99 2.02 3kvcA1 GLU 406 HG2 -0.11 0.08 -0.37 -0.04 2.34 1.90 3kvcA1 GLU 406 HG3 -0.10 0.05 -0.01 -0.04 2.34 2.25 3kvcA1 VAL 407 H -0.12 0.18 -0.01 -0.55 8.24 7.75 3kvcA1 VAL 407 HA -0.14 0.14 0.62 -0.75 4.13 4.00 3kvcA1 VAL 407 HB -0.09 -0.00 0.08 -0.04 2.12 2.06 3kvcA1 VAL 407 HG13 -0.09 0.02 -0.18 -0.04 0.97 0.68 3kvcA1 VAL 407 HG23 -0.11 0.01 -0.08 -0.04 0.95 0.73 3kvcA1 LEU 408 H -0.09 0.63 0.33 -0.55 8.37 8.70 3kvcA1 LEU 408 HA -0.08 0.21 0.86 -0.75 4.35 4.59 3kvcA1 LEU 408 HB2 -0.09 -0.04 -0.09 -0.04 1.64 1.38 3kvcA1 LEU 408 HB3 -0.09 -0.01 -0.03 -0.04 1.64 1.47 3kvcA1 LEU 408 HG -0.10 0.01 -0.14 -0.04 1.64 1.36 3kvcA1 LEU 408 HD13 -0.07 -0.03 -0.14 -0.04 0.93 0.64 3kvcA1 LEU 408 HD23 -0.09 0.04 -0.17 -0.04 0.89 0.62 3kvcA1 PHE 409 H -0.00 0.31 0.19 -0.55 8.34 8.28 3kvcA1 PHE 409 HA -0.12 0.15 0.56 -0.75 4.62 4.46 3kvcA1 PHE 409 HB2 -0.23 0.17 -0.19 -0.04 3.15 2.86 3kvcA1 PHE 409 HB3 -0.21 -0.13 -0.01 -0.04 3.06 2.66 3kvcA1 PHE 409 HD2 -0.09 -0.01 -0.23 -0.04 7.28 6.91 3kvcA1 PHE 409 HE2 0.04 0.10 -0.16 -0.04 7.38 7.32 3kvcA1 PHE 409 HZ 0.09 0.01 -0.25 -0.04 7.32 7.13 3kvcA1 SER 410 H -0.61 0.27 0.05 -0.55 8.46 7.61 3kvcA1 SER 410 HA -0.09 0.15 0.79 -0.75 4.49 4.59 3kvcA1 SER 410 HB2 -0.12 -0.03 -0.29 -0.04 3.95 3.47 3kvcA1 SER 410 HB3 -0.16 -0.01 0.05 -0.04 3.93 3.77 3kvcA1 GLY 411 H -0.09 0.36 0.18 -0.55 8.43 8.35 3kvcA1 GLY 411 HA2 -0.16 0.21 0.90 -0.51 4.01 4.45 3kvcA1 GLY 411 HA3 -0.13 0.03 0.25 -0.51 4.01 3.65 3kvcA1 PRO 412 HA -0.07 0.03 0.37 -0.51 4.44 4.27 3kvcA1 PRO 412 HB2 -0.02 0.01 0.13 -0.04 2.28 2.36 3kvcA1 PRO 412 HB3 -0.03 0.05 0.07 -0.04 2.02 2.07 3kvcA1 PRO 412 HG2 -0.03 0.03 0.08 -0.04 2.03 2.07 3kvcA1 PRO 412 HG3 -0.04 0.05 0.06 -0.04 2.03 2.06 3kvcA1 PRO 412 HD2 -0.05 0.10 0.18 -0.04 3.68 3.87 3kvcA1 PRO 412 HD3 -0.08 0.18 0.19 -0.04 3.65 3.90 3kvcA1 ARG 413 H -0.10 0.17 0.26 -0.55 8.46 8.24 3kvcA1 ARG 413 HA -0.17 0.07 0.35 -0.75 4.34 3.83 3kvcA1 ARG 413 HB2 -0.68 0.10 0.04 -0.04 1.90 1.32 3kvcA1 ARG 413 HB3 -0.64 -0.09 0.24 -0.04 1.80 1.28 3kvcA1 ARG 413 HG2 -0.17 0.13 0.03 -0.04 1.67 1.62 3kvcA1 ARG 413 HG3 -0.15 -0.13 -0.11 -0.04 1.67 1.25 3kvcA1 ARG 413 HD2 -0.08 -0.06 -0.09 -0.04 3.22 2.95 3kvcA1 ARG 413 HD3 -0.13 0.00 -0.12 -0.04 3.22 2.93 3kvcA1 GLN 414 H -0.05 0.50 -0.52 -0.55 8.47 7.85 3kvcA1 GLN 414 HA 0.07 0.00 0.91 -0.75 4.36 4.59 3kvcA1 GLN 414 HB2 0.09 -0.13 -0.08 -0.04 2.15 1.99 3kvcA1 GLN 414 HB3 0.16 0.00 -0.13 -0.04 2.02 2.01 3kvcA1 GLN 414 HG2 0.01 0.32 -0.37 -0.04 2.40 2.32 3kvcA1 GLN 414 HG3 0.07 -0.06 -0.15 -0.04 2.39 2.21 3kvcA1 GLN 414 HE21 0.27 -0.08 -0.05 -0.04 6.97 7.07 3kvcA1 GLN 414 HE22 0.05 0.21 -0.07 -0.04 7.69 7.85 3kvcA1 ALA 415 H 0.09 0.56 0.22 -0.55 8.40 8.73 3kvcA1 ALA 415 HA -0.07 0.09 0.55 -0.75 4.34 4.17 3kvcA1 ALA 415 HB3 -0.04 0.01 -0.05 -0.04 1.41 1.29 3kvcA1 PHE 416 H 0.03 0.16 0.04 -0.55 8.34 8.02 3kvcA1 PHE 416 HA -0.15 0.17 0.57 -0.75 4.62 4.46 3kvcA1 PHE 416 HB2 -1.33 0.01 -0.07 -0.04 3.15 1.72 3kvcA1 PHE 416 HB3 -0.48 -0.06 0.07 -0.04 3.06 2.54 3kvcA1 PHE 416 HD2 -0.27 -0.02 -0.27 -0.04 7.28 6.67 3kvcA1 PHE 416 HE2 -0.02 -0.02 -0.38 -0.04 7.38 6.92 3kvcA1 PHE 416 HZ -0.01 -0.05 -0.74 -0.04 7.32 6.49 3kvcA1 GLU 417 H -0.17 0.60 0.05 -0.55 8.60 8.53 3kvcA1 GLU 417 HA 0.10 0.13 0.79 -0.75 4.29 4.55 3kvcA1 GLU 417 HB2 0.27 0.08 -0.17 -0.04 2.09 2.23 3kvcA1 GLU 417 HB3 0.23 0.01 -0.00 -0.04 1.99 2.18 3kvcA1 GLU 417 HG2 0.18 0.01 -0.33 -0.04 2.34 2.15 3kvcA1 GLU 417 HG3 0.60 0.00 -0.13 -0.04 2.34 2.78 3kvcA1 PHE 418 H -0.18 0.06 0.14 -0.55 8.34 7.81 3kvcA1 PHE 418 HA -0.19 0.06 0.40 -0.75 4.62 4.13 3kvcA1 PHE 418 HB2 0.00 -0.02 0.04 -0.04 3.15 3.13 3kvcA1 PHE 418 HB3 0.02 0.08 0.27 -0.04 3.06 3.39 3kvcA1 PHE 418 HD2 0.00 0.03 -0.04 -0.04 7.28 7.23 3kvcA1 PHE 418 HE2 0.09 -0.02 0.01 -0.04 7.38 7.42 3kvcA1 PHE 418 HZ 0.27 -0.03 0.01 -0.04 7.32 7.53 3kvcA1 PRO 419 HA 0.00 0.34 0.55 -0.51 4.44 4.83 3kvcA1 PRO 419 HB2 0.19 0.01 -0.08 -0.04 2.28 2.36 3kvcA1 PRO 419 HB3 0.26 -0.05 -0.10 -0.04 2.02 2.08 3kvcA1 PRO 419 HG2 0.08 0.17 0.04 -0.04 2.03 2.29 3kvcA1 PRO 419 HG3 0.17 -0.02 -0.15 -0.04 2.03 1.99 3kvcA1 PRO 419 HD2 -0.24 0.04 0.17 -0.04 3.68 3.61 3kvcA1 PRO 419 HD3 0.06 -0.06 -0.07 -0.04 3.65 3.54 3kvcA1 GLN 420 H 0.19 0.69 0.51 -0.55 8.47 9.31 3kvcA1 GLN 420 HA 0.16 0.11 0.80 -0.75 4.36 4.67 3kvcA1 GLN 420 HB2 0.21 0.06 0.19 -0.04 2.15 2.57 3kvcA1 GLN 420 HB3 0.20 -0.14 0.23 -0.04 2.02 2.27 3kvcA1 GLN 420 HG2 0.15 0.07 -0.37 -0.04 2.40 2.21 3kvcA1 GLN 420 HG3 0.13 0.19 0.08 -0.04 2.39 2.75 3kvcA1 GLN 420 HE21 0.08 -0.05 0.15 -0.04 6.97 7.11 3kvcA1 GLN 420 HE22 0.16 0.05 0.02 -0.04 7.69 7.88 3kvcA1 ILE 421 H 0.21 0.20 0.26 -0.55 8.25 8.37 3kvcA1 ILE 421 HA 0.22 0.19 0.77 -0.75 4.18 4.61 3kvcA1 ILE 421 HB 0.08 -0.06 0.09 -0.04 1.89 1.96 3kvcA1 ILE 421 HG12 0.18 0.09 0.03 -0.04 1.49 1.76 3kvcA1 ILE 421 HG13 0.22 -0.15 -0.35 -0.04 1.21 0.88 3kvcA1 ILE 421 HG23 0.07 0.05 -0.11 -0.04 0.93 0.90 3kvcA1 ILE 421 HD13 -0.06 0.01 -0.12 -0.04 0.88 0.67 3kvcA1 ASN 422 H -0.06 0.21 0.08 -0.55 8.53 8.22 3kvcA1 ASN 422 HA 0.19 0.10 0.73 -0.75 4.76 5.03 3kvcA1 ASN 422 HB2 -0.66 0.13 0.17 -0.04 2.88 2.48 3kvcA1 ASN 422 HB3 -0.06 -0.03 0.25 -0.04 2.79 2.91 3kvcA1 ASN 422 HD21 0.35 0.02 0.00 -0.04 7.03 7.37 3kvcA1 ASN 422 HD22 0.11 0.31 0.16 -0.04 7.74 8.28 3kvcA1 TYR 423 H 0.34 0.42 0.10 -0.55 8.29 8.60 3kvcA1 TYR 423 HA 0.09 0.02 0.24 -0.75 4.56 4.16 3kvcA1 TYR 423 HB2 0.11 0.04 0.17 -0.04 3.06 3.35 3kvcA1 TYR 423 HB3 0.13 0.02 0.22 -0.04 2.98 3.32 3kvcA1 TYR 423 HD2 0.09 -0.01 -0.02 -0.04 7.15 7.18 3kvcA1 TYR 423 HE2 0.18 0.15 0.09 -0.04 6.85 7.23 3kvcA1 GLN 424 H 0.29 0.09 0.02 -0.55 8.47 8.33 3kvcA1 GLN 424 HA 0.13 0.14 0.41 -0.75 4.36 4.28 3kvcA1 GLN 424 HB2 0.21 0.01 0.18 -0.04 2.15 2.50 3kvcA1 GLN 424 HB3 0.16 -0.03 0.09 -0.04 2.02 2.20 3kvcA1 GLN 424 HG2 0.08 0.02 -0.01 -0.04 2.40 2.44 3kvcA1 GLN 424 HG3 0.13 0.04 0.10 -0.04 2.39 2.62 3kvcA1 GLN 424 HE21 0.07 0.00 0.03 -0.04 6.97 7.04 3kvcA1 GLN 424 HE22 0.06 -0.00 0.01 -0.04 7.69 7.72 3kvcA1 LYS 425 H 0.15 0.03 -0.29 -0.55 8.42 7.75 3kvcA1 LYS 425 HA -0.11 0.22 0.84 -0.75 4.32 4.52 3kvcA1 LYS 425 HB2 0.04 -0.03 -0.02 -0.04 1.87 1.82 3kvcA1 LYS 425 HB3 0.14 -0.01 0.02 -0.04 1.79 1.89 3kvcA1 LYS 425 HG2 -0.70 0.01 0.01 -0.04 1.46 0.74 3kvcA1 LYS 425 HG3 -0.18 0.00 0.08 -0.04 1.46 1.32 3kvcA1 LYS 425 HD2 0.01 0.03 -0.04 -0.04 1.69 1.66 3kvcA1 LYS 425 HD3 0.16 -0.02 -0.10 -0.04 1.68 1.68 3kvcA1 LYS 425 HE2 -0.28 -0.04 -0.02 -0.04 2.99 2.61 3kvcA1 LYS 425 HE3 -0.11 -0.02 0.01 -0.04 2.99 2.83 3kvcA1 TYR 426 H 0.13 0.28 0.07 -0.55 8.29 8.22 3kvcA1 TYR 426 HA -0.07 0.21 0.90 -0.75 4.56 4.85 3kvcA1 TYR 426 HB2 -0.01 0.05 0.08 -0.04 3.06 3.14 3kvcA1 TYR 426 HB3 -0.01 -0.01 0.11 -0.04 2.98 3.02 3kvcA1 TYR 426 HD2 -0.00 0.19 0.08 -0.04 7.15 7.38 3kvcA1 TYR 426 HE2 0.01 0.01 -0.05 -0.04 6.85 6.77 3kvcA1 GLY 427 H -0.17 0.41 0.14 -0.55 8.43 8.26 3kvcA1 GLY 427 HA2 -0.21 -0.06 0.63 -0.51 4.01 3.87 3kvcA1 GLY 427 HA3 -0.65 0.09 0.44 -0.51 4.01 3.38 3kvcA1 GLY 428 H -0.14 0.02 0.37 -0.55 8.43 8.14 3kvcA1 GLY 428 HA2 -0.08 0.23 0.66 -0.51 4.01 4.32 3kvcA1 GLY 428 HA3 -0.12 -0.01 0.63 -0.51 4.01 4.00 3kvcA1 LYS 429 H -0.05 0.44 -0.08 -0.55 8.42 8.18 3kvcA1 LYS 429 HA 0.02 0.03 0.92 -0.75 4.32 4.54 3kvcA1 LYS 429 HB2 -0.09 0.04 -0.14 -0.04 1.87 1.65 3kvcA1 LYS 429 HB3 -0.09 0.02 0.05 -0.04 1.79 1.73 3kvcA1 LYS 429 HG2 -0.06 -0.09 0.00 -0.04 1.46 1.28 3kvcA1 LYS 429 HG3 -0.08 0.01 -0.40 -0.04 1.46 0.96 3kvcA1 LYS 429 HD2 -0.17 0.16 -0.08 -0.04 1.69 1.56 3kvcA1 LYS 429 HD3 -0.14 -0.06 0.03 -0.04 1.68 1.47 3kvcA1 LYS 429 HE2 -0.07 -0.09 0.01 -0.04 2.99 2.79 3kvcA1 LYS 429 HE3 -0.10 0.06 -0.02 -0.04 2.99 2.89 3kvcA1 PRO 430 HA -1.49 -0.03 0.51 -0.51 4.44 2.92 3kvcA1 PRO 430 HB2 -0.14 0.01 0.09 -0.04 2.28 2.20 3kvcA1 PRO 430 HB3 -0.28 -0.00 0.10 -0.04 2.02 1.80 3kvcA1 PRO 430 HG2 -0.07 0.01 0.15 -0.04 2.03 2.07 3kvcA1 PRO 430 HG3 -0.09 0.09 0.16 -0.04 2.03 2.15 3kvcA1 PRO 430 HD2 -0.08 0.12 0.25 -0.04 3.68 3.93 3kvcA1 PRO 430 HD3 0.00 0.11 0.32 -0.04 3.65 4.03 3kvcA1 TYR 431 H -0.28 0.24 0.24 -0.55 8.29 7.94 3kvcA1 TYR 431 HA -0.11 0.09 0.63 -0.75 4.56 4.42 3kvcA1 TYR 431 HB2 -0.14 -0.15 0.16 -0.04 3.06 2.89 3kvcA1 TYR 431 HB3 -0.02 0.36 -0.20 -0.04 2.98 3.09 3kvcA1 TYR 431 HD2 -0.09 0.01 -0.05 -0.04 7.15 6.98 3kvcA1 TYR 431 HE2 0.13 0.02 -0.30 -0.04 6.85 6.66 3kvcA1 THR 432 H -0.32 0.03 0.21 -0.55 8.28 7.65 3kvcA1 THR 432 HA -0.60 0.18 0.96 -0.75 4.39 4.17 3kvcA1 THR 432 HB -0.97 0.00 0.04 -0.04 4.32 3.36 3kvcA1 THR 432 HG23 -0.81 -0.01 0.02 -0.04 1.22 0.37 3kvcA1 TYR 433 H -0.19 0.04 0.20 -0.55 8.29 7.79 3kvcA1 TYR 433 HA -0.20 0.38 1.26 -0.75 4.56 5.26 3kvcA1 TYR 433 HB2 -0.28 -0.06 0.00 -0.04 3.06 2.68 3kvcA1 TYR 433 HB3 -0.44 0.14 -0.07 -0.04 2.98 2.57 3kvcA1 TYR 433 HD2 -0.18 0.05 -0.12 -0.04 7.15 6.85 3kvcA1 TYR 433 HE2 -0.04 -0.03 -0.05 -0.04 6.85 6.69 3kvcA1 ALA 434 H -0.05 0.61 0.38 -0.55 8.40 8.80 3kvcA1 ALA 434 HA 0.07 0.25 0.91 -0.75 4.34 4.82 3kvcA1 ALA 434 HB3 0.23 -0.00 -0.04 -0.04 1.41 1.56 3kvcA1 TYR 435 H 0.25 0.84 0.43 -0.55 8.29 9.25 3kvcA1 TYR 435 HA 0.21 0.23 1.06 -0.75 4.56 5.31 3kvcA1 TYR 435 HB2 0.09 0.03 0.04 -0.04 3.06 3.18 3kvcA1 TYR 435 HB3 0.07 0.04 0.04 -0.04 2.98 3.08 3kvcA1 TYR 435 HD2 0.05 0.10 -0.16 -0.04 7.15 7.10 3kvcA1 TYR 435 HE2 -0.26 0.03 -0.16 -0.04 6.85 6.41 3kvcA1 GLY 436 H 0.04 0.65 0.39 -0.55 8.43 8.96 3kvcA1 GLY 436 HA2 -0.25 0.39 0.83 -0.51 4.01 4.47 3kvcA1 GLY 436 HA3 -1.34 -0.08 0.15 -0.51 4.01 2.23 3kvcA1 LEU 437 H -0.09 0.76 0.26 -0.55 8.37 8.76 3kvcA1 LEU 437 HA 0.03 0.18 0.93 -0.75 4.35 4.73 3kvcA1 LEU 437 HB2 0.01 0.03 -0.09 -0.04 1.64 1.55 3kvcA1 LEU 437 HB3 0.22 -0.07 -0.02 -0.04 1.64 1.72 3kvcA1 LEU 437 HG 0.12 -0.04 -0.35 -0.04 1.64 1.33 3kvcA1 LEU 437 HD13 0.02 0.11 -0.28 -0.04 0.93 0.74 3kvcA1 LEU 437 HD23 -0.20 -0.03 -0.07 -0.04 0.89 0.55 3kvcA1 GLY 438 H 0.09 0.71 0.24 -0.55 8.43 8.93 3kvcA1 GLY 438 HA2 0.10 0.37 0.71 -0.51 4.01 4.68 3kvcA1 GLY 438 HA3 0.14 -0.05 0.22 -0.51 4.01 3.81 3kvcA1 LEU 439 H 0.18 0.48 0.25 -0.55 8.37 8.73 3kvcA1 LEU 439 HA 0.23 0.29 0.62 -0.75 4.35 4.73 3kvcA1 LEU 439 HB2 0.29 -0.15 0.04 -0.04 1.64 1.78 3kvcA1 LEU 439 HB3 0.32 -0.05 -0.28 -0.04 1.64 1.59 3kvcA1 LEU 439 HG 0.34 0.08 -0.18 -0.04 1.64 1.84 3kvcA1 LEU 439 HD13 0.59 -0.01 -0.12 -0.04 0.93 1.35 3kvcA1 LEU 439 HD23 0.33 0.05 -0.39 -0.04 0.89 0.84 3kvcA1 ASN 440 H 0.26 0.96 0.15 -0.55 8.53 9.36 3kvcA1 ASN 440 HA 0.22 0.17 0.78 -0.75 4.76 5.17 3kvcA1 ASN 440 HB2 0.30 -0.04 -0.04 -0.04 2.88 3.06 3kvcA1 ASN 440 HB3 0.42 0.07 0.18 -0.04 2.79 3.41 3kvcA1 ASN 440 HD21 0.36 0.35 0.07 -0.04 7.03 7.76 3kvcA1 ASN 440 HD22 0.32 -0.05 -0.06 -0.04 7.74 7.92 3kvcA1 HIS 441 H -0.11 0.77 0.31 -0.55 8.41 8.84 3kvcA1 HIS 441 HA -0.19 0.05 0.34 -0.75 4.63 4.08 3kvcA1 HIS 441 HB2 -0.02 0.10 0.04 -0.04 3.26 3.34 3kvcA1 HIS 441 HB3 -0.09 0.07 0.12 -0.04 3.20 3.26 3kvcA1 HIS 441 HD2 -0.12 0.11 0.07 -0.04 6.97 6.98 3kvcA1 HIS 441 HE1 0.07 -0.01 -0.05 -0.04 7.75 7.71 3kvcA1 PHE 442 H -0.00 0.07 -0.47 -0.55 8.34 7.38 3kvcA1 PHE 442 HA 0.24 -0.06 0.10 -0.75 4.62 4.14 3kvcA1 PHE 442 HB2 0.09 0.28 0.11 -0.04 3.15 3.59 3kvcA1 PHE 442 HB3 0.08 -0.05 0.08 -0.04 3.06 3.13 3kvcA1 PHE 442 HD2 0.07 0.06 -0.15 -0.04 7.28 7.21 3kvcA1 PHE 442 HE2 -0.60 -0.03 -0.07 -0.04 7.38 6.64 3kvcA1 PHE 442 HZ -0.44 -0.00 -0.03 -0.04 7.32 6.81 3kvcA1 VAL 443 H 0.30 0.51 -0.59 -0.55 8.24 7.91 3kvcA1 VAL 443 HA 0.18 0.25 0.89 -0.75 4.13 4.70 3kvcA1 VAL 443 HB 0.20 0.03 0.08 -0.04 2.12 2.39 3kvcA1 VAL 443 HG13 -0.14 -0.00 -0.17 -0.04 0.97 0.61 3kvcA1 VAL 443 HG23 -0.12 0.02 -0.07 -0.04 0.95 0.74 3kvcA1 PRO 444 HA 0.18 0.19 0.64 -0.51 4.44 4.94 3kvcA1 PRO 444 HB2 0.08 0.24 0.05 -0.04 2.28 2.61 3kvcA1 PRO 444 HB3 0.10 -0.05 0.04 -0.04 2.02 2.07 3kvcA1 PRO 444 HG2 0.08 -0.00 0.16 -0.04 2.03 2.23 3kvcA1 PRO 444 HG3 0.05 0.03 0.11 -0.04 2.03 2.18 3kvcA1 PRO 444 HD2 0.10 0.04 0.24 -0.04 3.68 4.02 3kvcA1 PRO 444 HD3 0.19 0.21 0.22 -0.04 3.65 4.23 3kvcA1 ASP 445 H 0.16 0.45 0.42 -0.55 8.40 8.88 3kvcA1 ASP 445 HA 0.06 0.27 0.97 -0.75 4.63 5.18 3kvcA1 ASP 445 HB2 0.08 -0.04 0.17 -0.04 2.71 2.87 3kvcA1 ASP 445 HB3 0.05 0.01 -0.30 -0.04 2.70 2.43 3kvcA1 ARG 446 H 0.14 0.28 0.35 -0.55 8.46 8.67 3kvcA1 ARG 446 HA 0.20 0.15 0.62 -0.75 4.34 4.55 3kvcA1 ARG 446 HB2 0.15 0.12 0.16 -0.04 1.90 2.29 3kvcA1 ARG 446 HB3 0.09 0.09 -0.03 -0.04 1.80 1.91 3kvcA1 ARG 446 HG2 0.15 -0.09 -0.08 -0.04 1.67 1.62 3kvcA1 ARG 446 HG3 0.16 -0.03 -0.31 -0.04 1.67 1.45 3kvcA1 ARG 446 HD2 0.18 -0.05 -0.19 -0.04 3.22 3.12 3kvcA1 ARG 446 HD3 0.14 0.03 -0.15 -0.04 3.22 3.19 3kvcA1 LEU 447 H 0.35 0.68 0.41 -0.55 8.37 9.26 3kvcA1 LEU 447 HA 0.13 0.26 1.11 -0.75 4.35 5.10 3kvcA1 LEU 447 HB2 0.32 -0.09 0.11 -0.04 1.64 1.93 3kvcA1 LEU 447 HB3 0.13 0.03 0.03 -0.04 1.64 1.79 3kvcA1 LEU 447 HG 0.21 -0.07 -0.29 -0.04 1.64 1.45 3kvcA1 LEU 447 HD13 -0.22 -0.02 -0.16 -0.04 0.93 0.49 3kvcA1 LEU 447 HD23 0.02 0.07 -0.03 -0.04 0.89 0.91 3kvcA1 CYS 448 H 0.13 0.70 0.38 -0.55 8.50 9.16 3kvcA1 CYS 448 HA 0.28 0.37 1.21 -0.75 4.58 5.68 3kvcA1 CYS 448 HB2 0.17 -0.07 -0.09 -0.04 2.97 2.94 3kvcA1 CYS 448 HB3 0.36 0.03 -0.07 -0.04 2.97 3.25 3kvcA1 LYS 449 H 0.38 0.59 0.35 -0.55 8.42 9.19 3kvcA1 LYS 449 HA 0.20 0.30 0.93 -0.75 4.32 4.99 3kvcA1 LYS 449 HB2 0.19 0.00 -0.08 -0.04 1.87 1.94 3kvcA1 LYS 449 HB3 0.35 -0.10 0.00 -0.04 1.79 2.01 3kvcA1 LYS 449 HG2 0.01 -0.04 -0.35 -0.04 1.46 1.04 3kvcA1 LYS 449 HG3 -0.50 0.03 -0.06 -0.04 1.46 0.89 3kvcA1 LYS 449 HD2 -0.27 0.04 -0.16 -0.04 1.69 1.26 3kvcA1 LYS 449 HD3 -1.26 -0.03 -0.19 -0.04 1.68 0.15 3kvcA1 LYS 449 HE2 -0.92 -0.11 -0.14 -0.04 2.99 1.77 3kvcA1 LYS 449 HE3 -0.59 -0.08 -0.11 -0.04 2.99 2.17 3kvcA1 LEU 450 H 0.07 0.70 0.31 -0.55 8.37 8.90 3kvcA1 LEU 450 HA 0.17 0.36 0.99 -0.75 4.35 5.11 3kvcA1 LEU 450 HB2 -0.37 0.01 -0.23 -0.04 1.64 1.01 3kvcA1 LEU 450 HB3 -0.28 -0.06 -0.01 -0.04 1.64 1.25 3kvcA1 LEU 450 HG -0.13 -0.12 -0.65 -0.04 1.64 0.71 3kvcA1 LEU 450 HD13 -0.02 0.07 -0.14 -0.04 0.93 0.80 3kvcA1 LEU 450 HD23 -0.41 -0.03 -0.22 -0.04 0.89 0.19 3kvcA1 ASN 451 H 0.26 0.75 0.20 -0.55 8.53 9.18 3kvcA1 ASN 451 HA -0.01 0.28 0.95 -0.75 4.76 5.23 3kvcA1 ASN 451 HB2 0.52 0.08 0.10 -0.04 2.88 3.53 3kvcA1 ASN 451 HB3 0.12 -0.09 0.24 -0.04 2.79 3.01 3kvcA1 ASN 451 HD21 -0.03 0.01 0.02 -0.04 7.03 6.98 3kvcA1 ASN 451 HD22 0.31 0.07 0.02 -0.04 7.74 8.10 3kvcA1 VAL 452 H -0.27 0.62 0.17 -0.55 8.24 8.21 3kvcA1 VAL 452 HA -0.13 0.14 0.29 -0.75 4.13 3.67 3kvcA1 VAL 452 HB -0.16 -0.00 -0.01 -0.04 2.12 1.91 3kvcA1 VAL 452 HG13 -0.14 0.02 -0.19 -0.04 0.97 0.62 3kvcA1 VAL 452 HG23 -0.61 0.01 -0.20 -0.04 0.95 0.11 3kvcA1 LYS 453 H -0.21 0.03 -0.16 -0.55 8.42 7.52 3kvcA1 LYS 453 HA -0.11 0.22 0.78 -0.75 4.32 4.46 3kvcA1 LYS 453 HB2 -0.16 -0.07 0.11 -0.04 1.87 1.70 3kvcA1 LYS 453 HB3 -0.10 0.03 0.00 -0.04 1.79 1.69 3kvcA1 LYS 453 HG2 -0.12 0.05 0.03 -0.04 1.46 1.38 3kvcA1 LYS 453 HG3 -0.24 -0.00 0.06 -0.04 1.46 1.23 3kvcA1 LYS 453 HD2 -0.18 -0.05 0.01 -0.04 1.69 1.43 3kvcA1 LYS 453 HD3 -0.10 0.00 -0.00 -0.04 1.68 1.54 3kvcA1 LYS 453 HE2 -0.24 0.07 -0.09 -0.04 2.99 2.69 3kvcA1 LYS 453 HE3 -0.13 -0.04 -0.06 -0.04 2.99 2.72 3kvcA1 THR 454 H -0.08 0.01 -0.06 -0.55 8.28 7.61 3kvcA1 THR 454 HA -0.06 0.23 0.73 -0.75 4.39 4.54 3kvcA1 THR 454 HB -0.04 0.05 0.11 -0.04 4.32 4.40 3kvcA1 THR 454 HG23 -0.03 -0.01 -0.05 -0.04 1.22 1.09 3kvcA1 LYS 455 H -0.07 0.28 -0.03 -0.55 8.42 8.05 3kvcA1 LYS 455 HA -0.06 0.14 0.34 -0.75 4.32 3.99 3kvcA1 LYS 455 HB2 -0.08 0.10 0.10 -0.04 1.87 1.95 3kvcA1 LYS 455 HB3 -0.07 0.05 0.20 -0.04 1.79 1.93 3kvcA1 LYS 455 HG2 -0.07 0.03 0.04 -0.04 1.46 1.41 3kvcA1 LYS 455 HG3 -0.07 -0.09 -0.42 -0.04 1.46 0.83 3kvcA1 LYS 455 HD2 -0.07 -0.05 -0.08 -0.04 1.69 1.44 3kvcA1 LYS 455 HD3 -0.08 0.04 0.01 -0.04 1.68 1.60 3kvcA1 LYS 455 HE2 -0.08 -0.08 -0.02 -0.04 2.99 2.78 3kvcA1 LYS 455 HE3 -0.08 0.06 -0.04 -0.04 2.99 2.88 3kvcA1 GLU 456 H -0.07 -0.12 -0.41 -0.55 8.60 7.45 3kvcA1 GLU 456 HA -0.22 0.09 0.49 -0.75 4.29 3.90 3kvcA1 GLU 456 HB2 -0.19 0.02 0.07 -0.04 2.09 1.95 3kvcA1 GLU 456 HB3 -0.17 -0.13 0.08 -0.04 1.99 1.73 3kvcA1 GLU 456 HG2 -1.58 0.08 -0.18 -0.04 2.34 0.62 3kvcA1 GLU 456 HG3 -0.59 0.02 0.11 -0.04 2.34 1.85 3kvcA1 THR 457 H -0.37 0.16 0.26 -0.55 8.28 7.79 3kvcA1 THR 457 HA 0.10 0.37 1.04 -0.75 4.39 5.14 3kvcA1 THR 457 HB 0.20 0.04 0.16 -0.04 4.32 4.68 3kvcA1 THR 457 HG23 0.15 0.03 -0.13 -0.04 1.22 1.22 3kvcA1 TRP 458 H 0.53 0.52 0.37 -0.55 7.97 8.83 3kvcA1 TRP 458 HA 0.08 0.13 0.60 -0.75 4.62 4.68 3kvcA1 TRP 458 HB2 0.10 -0.07 -0.06 -0.04 3.23 3.15 3kvcA1 TRP 458 HB3 0.10 0.11 -0.07 -0.04 3.23 3.33 3kvcA1 TRP 458 HD1 0.05 0.06 0.06 -0.04 7.22 7.35 3kvcA1 TRP 458 HE1 0.03 -0.06 0.00 -0.04 10.20 10.12 3kvcA1 TRP 458 HE3 0.05 0.12 -0.33 -0.04 7.59 7.39 3kvcA1 TRP 458 HZ2 0.03 -0.05 -0.05 -0.04 7.44 7.34 3kvcA1 TRP 458 HZ3 0.09 -0.07 -0.32 -0.04 7.13 6.78 3kvcA1 TRP 458 HH2 0.13 -0.09 -0.09 -0.04 7.19 7.10 3kvcA1 VAL 459 H 0.28 0.27 0.15 -0.55 8.24 8.39 3kvcA1 VAL 459 HA 0.27 0.39 1.15 -0.75 4.13 5.18 3kvcA1 VAL 459 HB 0.11 -0.05 -0.01 -0.04 2.12 2.13 3kvcA1 VAL 459 HG13 0.12 0.00 -0.17 -0.04 0.97 0.87 3kvcA1 VAL 459 HG23 0.18 -0.03 -0.31 -0.04 0.95 0.75 3kvcA1 TRP 460 H 0.36 0.62 0.32 -0.55 7.97 8.72 3kvcA1 TRP 460 HA 0.07 0.16 0.83 -0.75 4.62 4.93 3kvcA1 TRP 460 HB2 0.07 0.13 0.06 -0.04 3.23 3.45 3kvcA1 TRP 460 HB3 0.06 -0.09 0.11 -0.04 3.23 3.27 3kvcA1 TRP 460 HD1 0.04 0.11 0.08 -0.04 7.22 7.41 3kvcA1 TRP 460 HE1 0.03 -0.06 -0.06 -0.04 10.20 10.07 3kvcA1 TRP 460 HE3 0.02 -0.09 -0.32 -0.04 7.59 7.16 3kvcA1 TRP 460 HZ2 0.09 -0.01 -0.16 -0.04 7.44 7.31 3kvcA1 TRP 460 HZ3 -0.02 0.05 -0.24 -0.04 7.13 6.88 3kvcA1 TRP 460 HH2 0.12 0.03 -0.21 -0.04 7.19 7.09 3kvcA1 GLN 461 H -0.83 0.32 0.17 -0.55 8.47 7.58 3kvcA1 GLN 461 HA -0.64 0.10 0.35 -0.75 4.36 3.42 3kvcA1 GLN 461 HB2 -0.17 0.18 0.19 -0.04 2.15 2.31 3kvcA1 GLN 461 HB3 -0.07 0.05 0.07 -0.04 2.02 2.02 3kvcA1 GLN 461 HG2 -0.21 -0.08 -0.10 -0.04 2.40 1.97 3kvcA1 GLN 461 HG3 -0.20 -0.02 -0.24 -0.04 2.39 1.89 3kvcA1 GLN 461 HE21 -0.01 0.01 -0.09 -0.04 6.97 6.84 3kvcA1 GLN 461 HE22 -0.05 -0.03 -0.10 -0.04 7.69 7.47 3kvcA1 GLU 462 H -0.48 0.40 0.15 -0.55 8.60 8.12 3kvcA1 GLU 462 HA -0.33 0.12 0.63 -0.75 4.29 3.96 3kvcA1 GLU 462 HB2 -0.17 -0.02 -0.05 -0.04 2.09 1.81 3kvcA1 GLU 462 HB3 -0.11 0.10 -0.02 -0.04 1.99 1.91 3kvcA1 GLU 462 HG2 -0.39 0.11 0.10 -0.04 2.34 2.13 3kvcA1 GLU 462 HG3 -0.80 -0.08 -0.32 -0.04 2.34 1.10 3kvcA1 PRO 463 HA -0.10 0.02 0.55 -0.51 4.44 4.40 3kvcA1 PRO 463 HB2 -0.06 0.03 0.04 -0.04 2.28 2.25 3kvcA1 PRO 463 HB3 -0.07 0.00 0.10 -0.04 2.02 2.01 3kvcA1 PRO 463 HG2 -0.08 0.02 0.08 -0.04 2.03 2.02 3kvcA1 PRO 463 HG3 -0.10 0.04 0.09 -0.04 2.03 2.03 3kvcA1 PRO 463 HD2 -0.12 0.10 0.20 -0.04 3.68 3.82 3kvcA1 PRO 463 HD3 -0.16 0.15 0.11 -0.04 3.65 3.71 3kvcA1 ASP 464 H -0.06 0.12 0.22 -0.55 8.40 8.13 3kvcA1 ASP 464 HA -0.11 -0.09 0.31 -0.75 4.63 3.98 3kvcA1 ASP 464 HB2 -0.02 0.20 -0.15 -0.04 2.71 2.69 3kvcA1 ASP 464 HB3 0.03 0.07 0.16 -0.04 2.70 2.92 3kvcA1 SER 465 H -0.39 0.26 -0.23 -0.55 8.46 7.56 3kvcA1 SER 465 HA -0.18 0.38 0.94 -0.75 4.49 4.88 3kvcA1 SER 465 HB2 -0.02 -0.02 -0.01 -0.04 3.95 3.86 3kvcA1 SER 465 HB3 0.13 -0.07 -0.15 -0.04 3.93 3.80 3kvcA1 TYR 466 H -0.03 0.61 0.21 -0.55 8.29 8.52 3kvcA1 TYR 466 HA -0.01 0.28 0.94 -0.75 4.56 5.01 3kvcA1 TYR 466 HB2 -0.08 -0.09 0.22 -0.04 3.06 3.07 3kvcA1 TYR 466 HB3 -0.06 0.15 0.16 -0.04 2.98 3.20 3kvcA1 TYR 466 HD2 -0.11 0.31 -0.09 -0.04 7.15 7.23 3kvcA1 TYR 466 HE2 -0.50 -0.02 -0.16 -0.04 6.85 6.13 3kvcA1 PRO 467 HA -0.10 0.16 0.55 -0.51 4.44 4.53 3kvcA1 PRO 467 HB2 -0.02 0.15 -0.13 -0.04 2.28 2.24 3kvcA1 PRO 467 HB3 0.01 -0.06 -0.15 -0.04 2.02 1.77 3kvcA1 PRO 467 HG2 0.10 0.07 -0.21 -0.04 2.03 1.94 3kvcA1 PRO 467 HG3 0.27 -0.05 -0.28 -0.04 2.03 1.93 3kvcA1 PRO 467 HD2 0.10 0.08 -0.22 -0.04 3.68 3.60 3kvcA1 PRO 467 HD3 0.10 0.24 -0.24 -0.04 3.65 3.71 3kvcA1 SER 468 H -0.13 0.05 0.12 -0.55 8.46 7.96 3kvcA1 SER 468 HA -0.17 0.18 0.89 -0.75 4.49 4.64 3kvcA1 SER 468 HB2 -0.19 0.07 0.17 -0.04 3.95 3.96 3kvcA1 SER 468 HB3 -0.17 0.11 0.11 -0.04 3.93 3.93 3kvcA1 GLU 469 H -0.28 0.21 0.17 -0.55 8.60 8.16 3kvcA1 GLU 469 HA -0.03 0.04 0.41 -0.75 4.29 3.95 3kvcA1 GLU 469 HB2 -0.10 -0.02 0.24 -0.04 2.09 2.17 3kvcA1 GLU 469 HB3 -0.06 -0.00 0.15 -0.04 1.99 2.04 3kvcA1 GLU 469 HG2 0.09 -0.01 -0.49 -0.04 2.34 1.89 3kvcA1 GLU 469 HG3 0.17 0.21 0.04 -0.04 2.34 2.73 3kvcA1 PRO 470 HA -0.06 0.29 0.63 -0.51 4.44 4.78 3kvcA1 PRO 470 HB2 -0.01 -0.09 -0.17 -0.04 2.28 1.97 3kvcA1 PRO 470 HB3 -0.02 -0.00 -0.06 -0.04 2.02 1.90 3kvcA1 PRO 470 HG2 0.12 -0.02 -0.09 -0.04 2.03 1.99 3kvcA1 PRO 470 HG3 0.07 0.05 -0.09 -0.04 2.03 2.02 3kvcA1 PRO 470 HD2 0.06 0.28 0.18 -0.04 3.68 4.16 3kvcA1 PRO 470 HD3 0.01 0.10 -0.04 -0.04 3.65 3.68 3kvcA1 ILE 471 H -0.06 0.65 0.32 -0.55 8.25 8.61 3kvcA1 ILE 471 HA 0.07 0.18 0.94 -0.75 4.18 4.62 3kvcA1 ILE 471 HB -0.00 -0.06 0.06 -0.04 1.89 1.84 3kvcA1 ILE 471 HG12 0.05 0.13 -0.28 -0.04 1.49 1.35 3kvcA1 ILE 471 HG13 0.10 -0.05 -0.22 -0.04 1.21 0.99 3kvcA1 ILE 471 HG23 0.09 -0.01 -0.14 -0.04 0.93 0.82 3kvcA1 ILE 471 HD13 0.12 0.02 -0.08 -0.04 0.88 0.90 3kvcA1 PHE 472 H 0.15 0.19 0.16 -0.55 8.34 8.29 3kvcA1 PHE 472 HA -0.26 0.23 0.79 -0.75 4.62 4.62 3kvcA1 PHE 472 HB2 -0.36 0.01 -0.12 -0.04 3.15 2.64 3kvcA1 PHE 472 HB3 -0.01 0.06 0.03 -0.04 3.06 3.10 3kvcA1 PHE 472 HD2 -0.25 -0.02 -0.19 -0.04 7.28 6.78 3kvcA1 PHE 472 HE2 -0.01 -0.07 -0.25 -0.04 7.38 7.00 3kvcA1 PHE 472 HZ -0.01 -0.05 -0.35 -0.04 7.32 6.88 3kvcA1 VAL 473 H -0.77 0.71 0.27 -0.55 8.24 7.91 3kvcA1 VAL 473 HA -0.33 0.14 0.83 -0.75 4.13 4.02 3kvcA1 VAL 473 HB -0.47 -0.09 0.05 -0.04 2.12 1.57 3kvcA1 VAL 473 HG13 -0.27 0.04 -0.12 -0.04 0.97 0.58 3kvcA1 VAL 473 HG23 -0.82 0.02 -0.26 -0.04 0.95 -0.14 3kvcA1 SER 474 H -0.24 0.15 0.06 -0.55 8.46 7.89 3kvcA1 SER 474 HA -0.38 0.04 0.52 -0.75 4.49 3.91 3kvcA1 SER 474 HB2 0.30 -0.06 0.04 -0.04 3.95 4.20 3kvcA1 SER 474 HB3 0.01 -0.02 -0.00 -0.04 3.93 3.88 3kvcA1 HIS 475 H -0.29 0.57 0.47 -0.55 8.41 8.61 3kvcA1 HIS 475 HA -2.11 0.09 0.56 -0.75 4.63 2.41 3kvcA1 HIS 475 HB2 -0.76 -0.02 0.03 -0.04 3.26 2.47 3kvcA1 HIS 475 HB3 -0.44 -0.04 0.09 -0.04 3.20 2.77 3kvcA1 HIS 475 HD2 -0.73 -0.01 -0.02 -0.04 6.97 6.16 3kvcA1 HIS 475 HE1 -0.22 0.05 -0.02 -0.04 7.75 7.51 3kvcA1 PRO 476 HA -0.11 0.13 0.34 -0.51 4.44 4.29 3kvcA1 PRO 476 HB2 -0.08 0.02 -0.01 -0.04 2.28 2.17 3kvcA1 PRO 476 HB3 -0.07 0.07 0.14 -0.04 2.02 2.12 3kvcA1 PRO 476 HG2 -0.38 -0.05 0.10 -0.04 2.03 1.66 3kvcA1 PRO 476 HG3 -0.12 0.14 0.13 -0.04 2.03 2.13 3kvcA1 PRO 476 HD2 -1.99 -0.04 0.22 -0.04 3.68 1.83 3kvcA1 PRO 476 HD3 -0.56 0.26 0.21 -0.04 3.65 3.52 3kvcA1 ASP 477 H 0.33 0.00 -0.33 -0.55 8.40 7.86 3kvcA1 ASP 477 HA 0.01 0.27 0.76 -0.75 4.63 4.91 3kvcA1 ASP 477 HB2 0.02 -0.06 0.00 -0.04 2.71 2.63 3kvcA1 ASP 477 HB3 -0.01 0.01 0.12 -0.04 2.70 2.77 3kvcA1 ALA 478 H -0.01 0.56 -0.35 -0.55 8.40 8.05 3kvcA1 ALA 478 HA -0.11 -0.12 0.41 -0.75 4.34 3.77 3kvcA1 ALA 478 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.49 3kvcA1 LEU 479 H -0.03 -0.04 0.25 -0.55 8.37 8.00 3kvcA1 LEU 479 HA 0.02 0.26 0.82 -0.75 4.35 4.70 3kvcA1 LEU 479 HB2 -0.01 -0.08 0.10 -0.04 1.64 1.61 3kvcA1 LEU 479 HB3 0.01 -0.01 0.08 -0.04 1.64 1.68 3kvcA1 LEU 479 HG -0.02 0.10 -0.07 -0.04 1.64 1.61 3kvcA1 LEU 479 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.87 3kvcA1 LEU 479 HD23 -0.00 0.04 0.03 -0.04 0.89 0.91 3kvcA1 GLU 480 H 0.01 -0.08 0.14 -0.55 8.60 8.13 3kvcA1 GLU 480 HA 0.07 0.20 0.66 -0.75 4.29 4.47 3kvcA1 GLU 480 HB2 0.01 -0.04 0.03 -0.04 2.09 2.05 3kvcA1 GLU 480 HB3 0.03 -0.10 0.08 -0.04 1.99 1.95 3kvcA1 GLU 480 HG2 0.02 0.07 0.01 -0.04 2.34 2.41 3kvcA1 GLU 480 HG3 0.01 -0.05 0.00 -0.04 2.34 2.26 3kvcA1 GLU 481 H 0.05 0.12 0.13 -0.55 8.60 8.35 3kvcA1 GLU 481 HA -0.01 0.22 0.34 -0.75 4.29 4.09 3kvcA1 GLU 481 HB2 -0.34 0.08 0.10 -0.04 2.09 1.89 3kvcA1 GLU 481 HB3 -0.01 -0.04 0.10 -0.04 1.99 1.99 3kvcA1 GLU 481 HG2 -0.34 0.01 -0.08 -0.04 2.34 1.88 3kvcA1 GLU 481 HG3 -1.70 0.10 0.09 -0.04 2.34 0.79 3kvcA1 ASP 482 H -0.03 0.02 -0.16 -0.55 8.40 7.67 3kvcA1 ASP 482 HA -0.07 0.27 0.68 -0.75 4.63 4.75 3kvcA1 ASP 482 HB2 -0.27 0.13 -0.08 -0.04 2.71 2.44 3kvcA1 ASP 482 HB3 -0.52 0.00 -0.14 -0.04 2.70 2.00 3kvcA1 ASP 483 H 0.12 0.31 -0.45 -0.55 8.40 7.83 3kvcA1 ASP 483 HA 0.02 0.10 0.73 -0.75 4.63 4.72 3kvcA1 ASP 483 HB2 -0.02 -0.06 0.00 -0.04 2.71 2.60 3kvcA1 ASP 483 HB3 0.01 0.08 0.15 -0.04 2.70 2.91 3kvcA1 GLY 484 H 0.06 0.28 0.18 -0.55 8.43 8.41 3kvcA1 GLY 484 HA2 0.01 0.01 0.52 -0.51 4.01 4.05 3kvcA1 GLY 484 HA3 -0.27 0.22 0.32 -0.51 4.01 3.76 3kvcA1 VAL 485 H -0.23 0.69 0.31 -0.55 8.24 8.47 3kvcA1 VAL 485 HA -0.11 0.18 1.11 -0.75 4.13 4.55 3kvcA1 VAL 485 HB -0.25 0.10 0.06 -0.04 2.12 2.00 3kvcA1 VAL 485 HG13 -0.12 -0.03 -0.17 -0.04 0.97 0.61 3kvcA1 VAL 485 HG23 -0.36 0.00 -0.10 -0.04 0.95 0.45 3kvcA1 VAL 486 H -0.19 0.46 0.18 -0.55 8.24 8.14 3kvcA1 VAL 486 HA -0.26 0.36 0.73 -0.75 4.13 4.20 3kvcA1 VAL 486 HB -0.19 0.06 -0.20 -0.04 2.12 1.76 3kvcA1 VAL 486 HG13 -0.50 -0.03 -0.29 -0.04 0.97 0.11 3kvcA1 VAL 486 HG23 -0.14 -0.01 -0.21 -0.04 0.95 0.55 3kvcA1 LEU 487 H -0.19 0.68 0.27 -0.55 8.37 8.59 3kvcA1 LEU 487 HA -0.22 0.35 1.07 -0.75 4.35 4.79 3kvcA1 LEU 487 HB2 -0.12 -0.02 0.04 -0.04 1.64 1.50 3kvcA1 LEU 487 HB3 -0.14 0.03 -0.03 -0.04 1.64 1.46 3kvcA1 LEU 487 HG -0.36 -0.00 -0.17 -0.04 1.64 1.06 3kvcA1 LEU 487 HD13 -0.40 -0.01 -0.16 -0.04 0.93 0.32 3kvcA1 LEU 487 HD23 -0.39 0.01 -0.23 -0.04 0.89 0.24 3kvcA1 SER 488 H -0.24 0.59 0.31 -0.55 8.46 8.58 3kvcA1 SER 488 HA -0.15 0.24 0.57 -0.75 4.49 4.41 3kvcA1 SER 488 HB2 -0.16 0.04 -0.22 -0.04 3.95 3.57 3kvcA1 SER 488 HB3 -0.28 -0.09 -0.08 -0.04 3.93 3.44 3kvcA1 VAL 489 H -0.17 0.24 0.08 -0.55 8.24 7.84 3kvcA1 VAL 489 HA -0.32 0.14 0.93 -0.75 4.13 4.12 3kvcA1 VAL 489 HB -0.15 0.02 0.06 -0.04 2.12 2.01 3kvcA1 VAL 489 HG13 -0.11 0.02 -0.24 -0.04 0.97 0.60 3kvcA1 VAL 489 HG23 -0.05 -0.01 -0.14 -0.04 0.95 0.72 3kvcA1 VAL 490 H -0.45 0.73 0.31 -0.55 8.24 8.28 3kvcA1 VAL 490 HA -0.24 0.25 0.78 -0.75 4.13 4.18 3kvcA1 VAL 490 HB -1.62 -0.03 -0.04 -0.04 2.12 0.39 3kvcA1 VAL 490 HG13 -0.12 0.01 -0.39 -0.04 0.97 0.43 3kvcA1 VAL 490 HG23 -0.42 -0.01 -0.29 -0.04 0.95 0.18 3kvcA1 VAL 491 H -0.09 0.67 0.25 -0.55 8.24 8.53 3kvcA1 VAL 491 HA -0.06 0.14 0.96 -0.75 4.13 4.41 3kvcA1 VAL 491 HB 0.03 0.04 0.23 -0.04 2.12 2.38 3kvcA1 VAL 491 HG13 0.00 -0.02 -0.09 -0.04 0.97 0.83 3kvcA1 VAL 491 HG23 -0.10 -0.03 -0.04 -0.04 0.95 0.75 3kvcA1 SER 492 H 0.04 0.68 0.08 -0.55 8.46 8.71 3kvcA1 SER 492 HA 0.07 0.34 0.98 -0.75 4.49 5.13 3kvcA1 SER 492 HB2 0.15 -0.02 -0.03 -0.04 3.95 4.01 3kvcA1 SER 492 HB3 0.25 -0.11 -0.38 -0.04 3.93 3.65 3kvcA1 PRO 493 HA 0.03 0.07 0.38 -0.51 4.44 4.41 3kvcA1 PRO 493 HB2 0.01 -0.06 -0.03 -0.04 2.28 2.17 3kvcA1 PRO 493 HB3 0.01 -0.00 0.10 -0.04 2.02 2.09 3kvcA1 PRO 493 HG2 0.03 -0.08 0.16 -0.04 2.03 2.10 3kvcA1 PRO 493 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 3kvcA1 PRO 493 HD2 0.16 0.15 0.12 -0.04 3.68 4.07 3kvcA1 PRO 493 HD3 0.14 0.11 -0.25 -0.04 3.65 3.61 3kvcA1 GLY 494 H 0.02 0.18 0.13 -0.55 8.43 8.21 3kvcA1 GLY 494 HA2 0.01 -0.06 0.33 -0.51 4.01 3.78 3kvcA1 GLY 494 HA3 0.02 0.20 0.51 -0.51 4.01 4.23 3kvcA1 ALA 495 H 0.01 0.11 0.13 -0.55 8.40 8.11 3kvcA1 ALA 495 HA 0.00 0.03 0.49 -0.75 4.34 4.11 3kvcA1 ALA 495 HB3 0.00 0.01 0.12 -0.04 1.41 1.50 3kvcA1 GLY 496 H 0.00 0.15 0.19 -0.55 8.43 8.23 3kvcA1 GLY 496 HA2 -0.00 -0.04 0.34 -0.51 4.01 3.80 3kvcA1 GLY 496 HA3 -0.00 0.08 0.43 -0.51 4.01 4.01 3kvcA1 GLN 497 H 0.01 0.27 -0.65 -0.55 8.47 7.55 3kvcA1 GLN 497 HA 0.00 -0.04 0.21 -0.75 4.36 3.78 3kvcA1 GLN 497 HB2 0.03 0.12 -0.17 -0.04 2.15 2.09 3kvcA1 GLN 497 HB3 0.03 0.06 -0.05 -0.04 2.02 2.01 3kvcA1 GLN 497 HG2 0.00 -0.09 -0.15 -0.04 2.40 2.12 3kvcA1 GLN 497 HG3 0.01 -0.05 -0.33 -0.04 2.39 1.97 3kvcA1 GLN 497 HE21 0.00 0.02 -0.10 -0.04 6.97 6.85 3kvcA1 GLN 497 HE22 -0.00 -0.08 -0.09 -0.04 7.69 7.49 3kvcA1 LYS 498 H 0.01 0.02 0.13 -0.55 8.42 8.02 3kvcA1 LYS 498 HA 0.02 0.07 0.58 -0.75 4.32 4.24 3kvcA1 LYS 498 HB2 0.04 -0.04 0.09 -0.04 1.87 1.92 3kvcA1 LYS 498 HB3 0.06 0.18 0.13 -0.04 1.79 2.11 3kvcA1 LYS 498 HG2 -0.01 -0.02 0.09 -0.04 1.46 1.48 3kvcA1 LYS 498 HG3 0.00 -0.05 0.04 -0.04 1.46 1.41 3kvcA1 LYS 498 HD2 0.02 0.03 -0.13 -0.04 1.69 1.57 3kvcA1 LYS 498 HD3 -0.01 0.03 -0.02 -0.04 1.68 1.64 3kvcA1 LYS 498 HE2 -0.10 -0.00 -0.01 -0.04 2.99 2.83 3kvcA1 LYS 498 HE3 -0.05 -0.02 -0.02 -0.04 2.99 2.86 3kvcA1 PRO 499 HA 0.05 0.13 0.14 -0.51 4.44 4.24 3kvcA1 PRO 499 HB2 0.02 0.01 -0.41 -0.04 2.28 1.86 3kvcA1 PRO 499 HB3 0.02 -0.05 -0.07 -0.04 2.02 1.88 3kvcA1 PRO 499 HG2 0.03 0.06 -0.45 -0.04 2.03 1.63 3kvcA1 PRO 499 HG3 0.03 0.09 -0.30 -0.04 2.03 1.80 3kvcA1 PRO 499 HD2 0.03 0.17 0.35 -0.04 3.68 4.19 3kvcA1 PRO 499 HD3 0.02 0.16 0.20 -0.04 3.65 3.99 3kvcA1 ALA 500 H 0.08 0.30 -0.14 -0.55 8.40 8.10 3kvcA1 ALA 500 HA -0.00 0.19 0.65 -0.75 4.34 4.42 3kvcA1 ALA 500 HB3 -0.05 0.00 -0.02 -0.04 1.41 1.31 3kvcA1 TYR 501 H -0.27 0.65 0.31 -0.55 8.29 8.42 3kvcA1 TYR 501 HA -0.07 0.10 0.49 -0.75 4.56 4.33 3kvcA1 TYR 501 HB2 -0.08 -0.05 -0.23 -0.04 3.06 2.66 3kvcA1 TYR 501 HB3 -0.03 0.08 -0.08 -0.04 2.98 2.92 3kvcA1 TYR 501 HD2 -0.06 0.04 -0.53 -0.04 7.15 6.56 3kvcA1 TYR 501 HE2 -0.02 0.02 -0.23 -0.04 6.85 6.58 3kvcA1 LEU 502 H -0.12 0.62 0.25 -0.55 8.37 8.57 3kvcA1 LEU 502 HA -0.47 0.21 0.97 -0.75 4.35 4.31 3kvcA1 LEU 502 HB2 -1.79 0.01 0.04 -0.04 1.64 -0.14 3kvcA1 LEU 502 HB3 -0.48 -0.06 0.13 -0.04 1.64 1.20 3kvcA1 LEU 502 HG -0.37 0.18 -0.01 -0.04 1.64 1.40 3kvcA1 LEU 502 HD13 -0.53 -0.01 -0.13 -0.04 0.93 0.22 3kvcA1 LEU 502 HD23 -0.01 -0.04 -0.37 -0.04 0.89 0.44 3kvcA1 LEU 503 H -0.29 0.87 0.38 -0.55 8.37 8.79 3kvcA1 LEU 503 HA -0.06 0.13 0.88 -0.75 4.35 4.55 3kvcA1 LEU 503 HB2 -0.18 0.01 -0.07 -0.04 1.64 1.36 3kvcA1 LEU 503 HB3 -0.40 0.03 0.08 -0.04 1.64 1.31 3kvcA1 LEU 503 HG -0.53 -0.04 -0.36 -0.04 1.64 0.67 3kvcA1 LEU 503 HD13 -0.25 0.02 -0.05 -0.04 0.93 0.62 3kvcA1 LEU 503 HD23 -1.72 -0.00 -0.18 -0.04 0.89 -1.05 3kvcA1 ILE 504 H -0.16 0.71 0.33 -0.55 8.25 8.58 3kvcA1 ILE 504 HA -0.23 0.33 1.05 -0.75 4.18 4.57 3kvcA1 ILE 504 HB -0.15 -0.08 0.09 -0.04 1.89 1.70 3kvcA1 ILE 504 HG12 -0.18 0.08 -0.26 -0.04 1.49 1.09 3kvcA1 ILE 504 HG13 -0.09 0.01 -0.40 -0.04 1.21 0.69 3kvcA1 ILE 504 HG23 -0.25 -0.01 -0.20 -0.04 0.93 0.42 3kvcA1 ILE 504 HD13 -0.12 -0.01 -0.18 -0.04 0.88 0.53 3kvcA1 LEU 505 H -0.22 0.64 0.27 -0.55 8.37 8.51 3kvcA1 LEU 505 HA -0.14 0.15 0.90 -0.75 4.35 4.51 3kvcA1 LEU 505 HB2 -0.16 -0.05 -0.11 -0.04 1.64 1.28 3kvcA1 LEU 505 HB3 -0.09 0.02 -0.25 -0.04 1.64 1.27 3kvcA1 LEU 505 HG -0.43 -0.01 -0.28 -0.04 1.64 0.87 3kvcA1 LEU 505 HD13 -0.27 0.02 -0.16 -0.04 0.93 0.49 3kvcA1 LEU 505 HD23 -0.57 0.03 -0.36 -0.04 0.89 -0.06 3kvcA1 ASN 506 H -0.05 0.82 0.22 -0.55 8.53 8.98 3kvcA1 ASN 506 HA -0.04 0.18 0.81 -0.75 4.76 4.96 3kvcA1 ASN 506 HB2 -0.02 0.12 0.11 -0.04 2.88 3.05 3kvcA1 ASN 506 HB3 -0.02 -0.14 0.17 -0.04 2.79 2.76 3kvcA1 ASN 506 HD21 -0.00 -0.00 0.03 -0.04 7.03 7.02 3kvcA1 ASN 506 HD22 0.00 0.07 0.02 -0.04 7.74 7.80 3kvcA1 ALA 507 H -0.02 0.67 0.25 -0.55 8.40 8.74 3kvcA1 ALA 507 HA -0.02 0.08 0.22 -0.75 4.34 3.87 3kvcA1 ALA 507 HB3 0.14 0.01 -0.28 -0.04 1.41 1.24 3kvcA1 LYS 508 H -0.07 0.03 -0.14 -0.55 8.42 7.68 3kvcA1 LYS 508 HA -0.33 0.09 0.52 -0.75 4.32 3.85 3kvcA1 LYS 508 HB2 -0.09 -0.07 0.05 -0.04 1.87 1.72 3kvcA1 LYS 508 HB3 -0.14 0.03 -0.05 -0.04 1.79 1.59 3kvcA1 LYS 508 HG2 -0.08 0.08 0.11 -0.04 1.46 1.54 3kvcA1 LYS 508 HG3 -0.05 -0.02 0.03 -0.04 1.46 1.38 3kvcA1 LYS 508 HD2 -0.08 0.01 -0.02 -0.04 1.69 1.56 3kvcA1 LYS 508 HD3 -0.19 0.02 -0.01 -0.04 1.68 1.47 3kvcA1 LYS 508 HE2 -0.05 0.03 -0.21 -0.04 2.99 2.71 3kvcA1 LYS 508 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.87 3kvcA1 ASP 509 H -0.14 0.06 -0.24 -0.55 8.40 7.54 3kvcA1 ASP 509 HA -0.68 0.25 0.77 -0.75 4.63 4.21 3kvcA1 ASP 509 HB2 0.15 0.05 0.09 -0.04 2.71 2.97 3kvcA1 ASP 509 HB3 -0.03 0.04 -0.25 -0.04 2.70 2.41 3kvcA1 LEU 510 H -0.07 0.40 -0.02 -0.55 8.37 8.13 3kvcA1 LEU 510 HA 0.03 0.07 0.16 -0.75 4.35 3.86 3kvcA1 LEU 510 HB2 0.25 0.14 -0.31 -0.04 1.64 1.68 3kvcA1 LEU 510 HB3 0.25 -0.03 -0.05 -0.04 1.64 1.77 3kvcA1 LEU 510 HG 0.12 -0.02 -0.40 -0.04 1.64 1.29 3kvcA1 LEU 510 HD13 0.29 -0.00 -0.54 -0.04 0.93 0.64 3kvcA1 LEU 510 HD23 0.13 0.02 -0.20 -0.04 0.89 0.80 3kvcA1 SER 511 H 0.05 -0.09 -0.41 -0.55 8.46 7.45 3kvcA1 SER 511 HA 0.17 0.16 0.67 -0.75 4.49 4.74 3kvcA1 SER 511 HB2 0.07 0.07 0.04 -0.04 3.95 4.09 3kvcA1 SER 511 HB3 0.08 0.05 0.02 -0.04 3.93 4.04 3kvcA1 GLU 512 H 0.15 0.14 0.15 -0.55 8.60 8.49 3kvcA1 GLU 512 HA -0.06 0.09 0.41 -0.75 4.29 3.98 3kvcA1 GLU 512 HB2 0.26 0.04 0.06 -0.04 2.09 2.41 3kvcA1 GLU 512 HB3 0.12 -0.02 0.10 -0.04 1.99 2.15 3kvcA1 GLU 512 HG2 0.01 -0.02 -0.32 -0.04 2.34 1.96 3kvcA1 GLU 512 HG3 -0.05 0.05 -0.01 -0.04 2.34 2.29 3kvcA1 VAL 513 H -0.09 0.73 0.52 -0.55 8.24 8.85 3kvcA1 VAL 513 HA -0.04 0.10 0.90 -0.75 4.13 4.34 3kvcA1 VAL 513 HB -0.12 0.09 -0.01 -0.04 2.12 2.05 3kvcA1 VAL 513 HG13 -0.10 -0.02 -0.06 -0.04 0.97 0.75 3kvcA1 VAL 513 HG23 -0.05 -0.03 -0.10 -0.04 0.95 0.74 3kvcA1 ALA 514 H -0.10 0.40 0.35 -0.55 8.40 8.51 3kvcA1 ALA 514 HA -0.07 0.13 0.59 -0.75 4.34 4.23 3kvcA1 ALA 514 HB3 -0.10 0.03 -0.29 -0.04 1.41 1.01 3kvcA1 ARG 515 H -0.09 0.65 0.33 -0.55 8.46 8.80 3kvcA1 ARG 515 HA -0.04 0.25 0.53 -0.75 4.34 4.32 3kvcA1 ARG 515 HB2 -0.01 0.03 -0.01 -0.04 1.90 1.87 3kvcA1 ARG 515 HB3 -0.04 0.00 0.07 -0.04 1.80 1.79 3kvcA1 ARG 515 HG2 -0.12 -0.06 -0.09 -0.04 1.67 1.36 3kvcA1 ARG 515 HG3 -0.15 -0.02 -0.05 -0.04 1.67 1.41 3kvcA1 ARG 515 HD2 -0.34 -0.01 -0.10 -0.04 3.22 2.73 3kvcA1 ARG 515 HD3 -0.95 0.05 -0.14 -0.04 3.22 2.13 3kvcA1 ALA 516 H -0.02 0.66 0.21 -0.55 8.40 8.70 3kvcA1 ALA 516 HA -0.04 0.24 0.72 -0.75 4.34 4.50 3kvcA1 ALA 516 HB3 -0.04 -0.01 -0.06 -0.04 1.41 1.25 3kvcA1 GLU 517 H 0.05 0.73 0.24 -0.55 8.60 9.08 3kvcA1 GLU 517 HA 0.13 0.15 0.64 -0.75 4.29 4.46 3kvcA1 GLU 517 HB2 0.13 -0.06 0.14 -0.04 2.09 2.25 3kvcA1 GLU 517 HB3 0.07 0.09 0.11 -0.04 1.99 2.22 3kvcA1 GLU 517 HG2 -0.07 0.01 -0.08 -0.04 2.34 2.16 3kvcA1 GLU 517 HG3 0.02 0.04 -0.02 -0.04 2.34 2.34 3kvcA1 VAL 518 H 0.08 0.63 0.33 -0.55 8.24 8.73 3kvcA1 VAL 518 HA 0.07 0.15 0.88 -0.75 4.13 4.47 3kvcA1 VAL 518 HB 0.07 -0.10 0.08 -0.04 2.12 2.13 3kvcA1 VAL 518 HG13 0.06 0.02 -0.27 -0.04 0.97 0.74 3kvcA1 VAL 518 HG23 -0.06 0.03 -0.19 -0.04 0.95 0.69 3kvcA1 GLU 519 H 0.06 0.14 0.14 -0.55 8.60 8.40 3kvcA1 GLU 519 HA 0.03 0.16 0.51 -0.75 4.29 4.24 3kvcA1 GLU 519 HB2 0.04 0.00 0.05 -0.04 2.09 2.13 3kvcA1 GLU 519 HB3 0.02 0.01 0.16 -0.04 1.99 2.14 3kvcA1 GLU 519 HG2 0.03 -0.07 -0.04 -0.04 2.34 2.21 3kvcA1 GLU 519 HG3 0.02 0.01 0.04 -0.04 2.34 2.38 3kvcA1 ILE 520 H 0.05 0.10 -0.25 -0.55 8.25 7.59 3kvcA1 ILE 520 HA 0.04 0.17 0.89 -0.75 4.18 4.53 3kvcA1 ILE 520 HB 0.07 0.09 0.07 -0.04 1.89 2.08 3kvcA1 ILE 520 HG12 0.11 -0.22 -0.04 -0.04 1.49 1.30 3kvcA1 ILE 520 HG13 0.11 0.14 -0.27 -0.04 1.21 1.15 3kvcA1 ILE 520 HG23 0.05 -0.02 -0.12 -0.04 0.93 0.80 3kvcA1 ILE 520 HD13 0.20 0.01 -0.08 -0.04 0.88 0.97 3kvcA1 ASN 521 H 0.04 0.08 0.11 -0.55 8.53 8.21 3kvcA1 ASN 521 HA 0.01 0.11 0.40 -0.75 4.76 4.53 3kvcA1 ASN 521 HB2 0.02 -0.06 0.06 -0.04 2.88 2.86 3kvcA1 ASN 521 HB3 0.04 -0.00 -0.01 -0.04 2.79 2.77 3kvcA1 ASN 521 HD21 -0.03 0.47 -0.07 -0.04 7.03 7.36 3kvcA1 ASN 521 HD22 0.03 -0.02 -0.15 -0.04 7.74 7.55 3kvcA1 ILE 522 H -0.02 0.24 0.05 -0.55 8.25 7.98 3kvcA1 ILE 522 HA 0.10 0.16 0.67 -0.75 4.18 4.35 3kvcA1 ILE 522 HB -0.07 -0.03 -0.04 -0.04 1.89 1.70 3kvcA1 ILE 522 HG12 -0.02 0.05 -0.24 -0.04 1.49 1.24 3kvcA1 ILE 522 HG13 -0.07 -0.01 -0.53 -0.04 1.21 0.55 3kvcA1 ILE 522 HG23 -0.04 0.07 -0.20 -0.04 0.93 0.72 3kvcA1 ILE 522 HD13 -0.29 -0.03 -0.20 -0.04 0.88 0.32 3kvcA1 PRO 523 HA -0.07 0.10 0.56 -0.51 4.44 4.53 3kvcA1 PRO 523 HB2 0.16 0.26 0.06 -0.04 2.28 2.72 3kvcA1 PRO 523 HB3 0.23 0.02 0.03 -0.04 2.02 2.26 3kvcA1 PRO 523 HG2 0.16 -0.03 0.06 -0.04 2.03 2.17 3kvcA1 PRO 523 HG3 0.18 0.12 -0.04 -0.04 2.03 2.24 3kvcA1 PRO 523 HD2 0.22 0.06 0.02 -0.04 3.68 3.94 3kvcA1 PRO 523 HD3 0.13 0.07 0.02 -0.04 3.65 3.83 3kvcA1 VAL 524 H -0.13 0.58 0.34 -0.55 8.24 8.48 3kvcA1 VAL 524 HA -0.21 0.01 0.51 -0.75 4.13 3.68 3kvcA1 VAL 524 HB -0.19 -0.01 0.15 -0.04 2.12 2.03 3kvcA1 VAL 524 HG13 0.06 0.01 0.08 -0.04 0.97 1.08 3kvcA1 VAL 524 HG23 -0.16 -0.01 -0.07 -0.04 0.95 0.67 3kvcA1 THR 525 H -0.28 0.18 0.22 -0.55 8.28 7.84 3kvcA1 THR 525 HA -0.42 0.17 0.76 -0.75 4.39 4.15 3kvcA1 THR 525 HB -0.17 0.01 -0.14 -0.04 4.32 3.98 3kvcA1 THR 525 HG23 -0.48 0.04 -0.39 -0.04 1.22 0.35 3kvcA1 PHE 526 H -0.17 0.72 0.47 -0.55 8.34 8.82 3kvcA1 PHE 526 HA -0.25 0.07 0.88 -0.75 4.62 4.56 3kvcA1 PHE 526 HB2 0.09 0.24 0.43 -0.04 3.15 3.86 3kvcA1 PHE 526 HB3 0.01 -0.11 0.15 -0.04 3.06 3.07 3kvcA1 PHE 526 HD2 0.14 0.11 0.01 -0.04 7.28 7.50 3kvcA1 PHE 526 HE2 0.21 -0.05 -0.04 -0.04 7.38 7.46 3kvcA1 PHE 526 HZ 0.21 0.10 -0.02 -0.04 7.32 7.56 3kvcA1 HIS 527 H 0.25 0.40 0.47 -0.55 8.41 8.98 3kvcA1 HIS 527 HA 0.19 0.19 1.03 -0.75 4.63 5.28 3kvcA1 HIS 527 HB2 0.18 0.11 0.25 -0.04 3.26 3.76 3kvcA1 HIS 527 HB3 0.20 -0.00 0.26 -0.04 3.20 3.61 3kvcA1 HIS 527 HD2 0.28 -0.01 -0.04 -0.04 6.97 7.15 3kvcA1 HIS 527 HE1 -0.00 -0.09 0.04 -0.04 7.75 7.65 3kvcA1 GLY 528 H 0.24 0.29 0.31 -0.55 8.43 8.72 3kvcA1 GLY 528 HA2 0.16 -0.07 0.43 -0.51 4.01 4.02 3kvcA1 GLY 528 HA3 0.13 0.23 0.85 -0.51 4.01 4.71 3kvcA1 LEU 529 H 0.13 0.71 0.46 -0.55 8.37 9.12 3kvcA1 LEU 529 HA 0.15 0.09 0.74 -0.75 4.35 4.57 3kvcA1 LEU 529 HB2 0.15 -0.03 0.10 -0.04 1.64 1.83 3kvcA1 LEU 529 HB3 0.14 0.18 -0.09 -0.04 1.64 1.82 3kvcA1 LEU 529 HG 0.13 -0.03 -0.06 -0.04 1.64 1.64 3kvcA1 LEU 529 HD13 0.07 -0.02 -0.37 -0.04 0.93 0.57 3kvcA1 LEU 529 HD23 0.27 0.06 -0.14 -0.04 0.89 1.04 3kvcA1 PHE 530 H 0.24 0.23 0.19 -0.55 8.34 8.44 3kvcA1 PHE 530 HA 0.06 0.33 1.04 -0.75 4.62 5.30 3kvcA1 PHE 530 HB2 0.00 -0.01 -0.06 -0.04 3.15 3.04 3kvcA1 PHE 530 HB3 0.02 -0.00 0.13 -0.04 3.06 3.17 3kvcA1 PHE 530 HD2 0.01 -0.02 -0.25 -0.04 7.28 6.98 3kvcA1 PHE 530 HE2 -0.13 0.02 -0.29 -0.04 7.38 6.95 3kvcA1 PHE 530 HZ -0.11 -0.07 -0.51 -0.04 7.32 6.58 3kvcA1 LYS 531 H -0.33 0.71 0.25 -0.55 8.42 8.50 3kvcA1 LYS 531 HA -0.01 0.09 0.78 -0.75 4.32 4.43 3kvcA1 LYS 531 HB2 -0.15 0.01 0.06 -0.04 1.87 1.74 3kvcA1 LYS 531 HB3 -0.24 -0.04 0.23 -0.04 1.79 1.69 3kvcA1 LYS 531 HG2 -0.09 0.07 -0.24 -0.04 1.46 1.16 3kvcA1 LYS 531 HG3 0.05 0.03 0.01 -0.04 1.46 1.52 3kvcA1 LYS 531 HD2 -0.59 -0.00 -0.05 -0.04 1.69 1.00 3kvcA1 LYS 531 HD3 -0.25 -0.02 -0.07 -0.04 1.68 1.30 3kvcA1 LYS 531 HE2 0.07 0.05 -0.05 -0.04 2.99 3.03 3kvcA1 LYS 531 HE3 -0.13 -0.07 -0.07 -0.04 2.99 2.68 3kvcA1 LYS 532 H 0.03 0.17 0.16 -0.55 8.42 8.23 3kvcA1 LYS 532 HA 0.00 0.14 0.65 -0.75 4.32 4.36 3kvcA1 LYS 532 HB2 0.09 -0.03 0.16 -0.04 1.87 2.04 3kvcA1 LYS 532 HB3 0.11 0.07 0.06 -0.04 1.79 1.99 3kvcA1 LYS 532 HG2 0.25 0.03 0.07 -0.04 1.46 1.77 3kvcA1 LYS 532 HG3 0.30 -0.01 0.04 -0.04 1.46 1.76 3kvcA1 LYS 532 HD2 0.14 -0.02 0.07 -0.04 1.69 1.84 3kvcA1 LYS 532 HD3 0.15 0.01 0.10 -0.04 1.68 1.90 3kvcA1 LYS 532 HE2 0.09 -0.00 0.04 -0.04 2.99 3.08 3kvcA1 LYS 532 HE3 0.09 0.00 0.04 -0.04 2.99 3.08 3kvcA1 SER 533 H 0.03 0.58 0.23 -0.55 8.46 8.76 3kvcA1 SER 533 HA 0.00 0.22 0.64 -0.75 4.49 4.59 3kvcA1 SER 533 HB2 -0.05 0.01 -0.11 -0.04 3.95 3.77 3kvcA1 SER 533 HB3 0.01 0.01 -0.10 -0.04 3.93 3.80