============================================================================= 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 2 0.900 156.506 11.403 284.724 -99.200 -91.000 PHE 37 1.000 131.202 -0.834 276.512 -99.200 -91.000 PHE 43 1.000 131.888 -2.695 287.429 -99.200 -91.000 HIS 44 0.900 126.088 5.305 286.578 -99.200 -91.000 PHE 59 1.000 118.111 -0.451 297.556 -99.200 -91.000 HIS 64 0.900 124.731 7.994 290.171 -99.200 -91.000 PHE 69 1.000 129.042 12.252 291.081 -99.200 -91.000 TRP 72 1.040 130.820 4.381 292.518 -99.200 -91.000 TRP6 72 1.020 130.526 3.960 290.242 -99.200 -91.000 HIS 73 0.900 129.655 8.687 288.519 -99.200 -91.000 TYR 76 0.840 131.662 3.150 285.453 -99.200 -91.000 PHE 80 1.000 133.656 2.199 281.080 -99.200 -91.000 HIS 87 0.900 140.285 -4.817 274.286 -99.200 -91.000 TYR 95 0.840 139.861 17.052 278.211 -99.200 -91.000 TRP 96 1.040 131.648 16.603 274.186 -99.200 -91.000 TRP6 96 1.020 129.540 15.691 274.502 -99.200 -91.000 PHE 108 1.000 137.086 9.543 270.042 -99.200 -91.000 PHE 109 1.000 130.362 12.823 271.184 -99.200 -91.000 TRP 114 1.040 137.240 4.241 262.063 -99.200 -91.000 TRP6 114 1.020 138.747 6.029 262.417 -99.200 -91.000 PHE 119 1.000 146.774 3.203 258.793 -99.200 -91.000 HIS 120 0.900 144.906 -3.581 254.708 -99.200 -91.000 PHE 123 1.000 130.435 -2.100 258.452 -99.200 -91.000 PHE 127 1.000 135.673 5.547 272.096 -99.200 -91.000 PHE 134 1.000 120.358 -5.002 281.335 -99.200 -91.000 HIS 136 0.900 119.337 -7.927 272.007 -99.200 -91.000 TYR 156 0.840 133.448 34.910 280.159 -99.200 -91.000 TRP 159 1.040 123.101 25.792 283.083 -99.200 -91.000 TRP6 159 1.020 123.776 23.774 283.891 -99.200 -91.000 PHE 161 1.000 133.393 30.709 283.151 -99.200 -91.000 TYR 164 0.840 131.294 21.813 285.559 -99.200 -91.000 TYR 166 0.840 128.285 29.142 294.099 -99.200 -91.000 TYR 173 0.840 134.829 16.583 298.494 -99.200 -91.000 PHE 176 1.000 134.114 20.428 293.764 -99.200 -91.000 PHE 180 1.000 132.326 17.485 289.925 -99.200 -91.000 HIS 184 0.900 127.493 12.988 286.327 -99.200 -91.000 HIS 188 0.900 124.820 11.325 283.321 -99.200 -91.000 TRP 190 1.040 121.997 19.978 278.657 -99.200 -91.000 TRP6 190 1.020 123.494 21.791 278.608 -99.200 -91.000 TYR 197 0.840 115.676 0.587 277.026 -99.200 -91.000 HIS 201 0.900 116.572 5.176 283.028 -99.200 -91.000 HIS 203 0.900 117.133 1.734 286.462 -99.200 -91.000 TYR 204 0.840 118.005 1.340 280.685 -99.200 -91.000 TYR 207 0.840 124.230 -1.230 279.473 -99.200 -91.000 PHE 211 1.000 129.277 6.819 282.606 -99.200 -91.000 HIS 214 0.900 129.549 14.926 281.058 -99.200 -91.000 HIS 215 0.900 130.060 10.272 283.924 -99.200 -91.000 PHE 222 1.000 137.419 15.186 292.624 -99.200 -91.000 TRP 225 1.040 137.411 21.996 294.754 -99.200 -91.000 TRP6 225 1.020 137.914 20.430 296.327 -99.200 -91.000 PHE 231 1.000 147.166 30.039 292.843 -99.200 -91.000 HIS 234 0.900 142.104 25.554 301.303 -99.200 -91.000 PHE 253 1.000 134.641 1.399 290.511 -99.200 -91.000 PHE 255 1.000 130.342 -6.017 294.709 -99.200 -91.000 TYR 259 0.840 130.009 -10.255 289.728 -99.200 -91.000 HIS 268 0.900 144.816 2.926 295.161 -99.200 -91.000 PHE 275 1.000 139.067 13.280 297.853 -99.200 -91.000 TYR 277 0.840 144.533 13.430 289.215 -99.200 -91.000 HIS 280 0.900 146.950 6.967 296.023 -99.200 -91.000 PHE 281 1.000 143.095 5.658 291.407 -99.200 -91.000 HIS 282 0.900 151.334 5.785 288.756 -99.200 -91.000 TYR 283 0.840 143.602 9.573 286.085 -99.200 -91.000 TYR 285 0.840 142.074 14.759 283.553 -99.200 -91.000 HIS 287 0.900 147.480 22.038 278.371 -99.200 -91.000 HIS 299 0.900 142.597 32.894 294.232 -99.200 -91.000 TYR 301 0.840 135.655 35.119 285.843 -99.200 -91.000 PHE 312 1.000 124.874 32.984 294.914 -99.200 -91.000 PHE 315 1.000 116.401 25.672 293.279 -99.200 -91.000 HIS 325 0.900 114.454 21.003 282.936 -99.200 -91.000 PHE 328 1.000 115.969 29.087 289.358 -99.200 -91.000 HIS 339 0.900 114.026 29.543 282.253 -99.200 -91.000 TYR 342 0.840 118.838 25.165 282.167 -99.200 -91.000 PHE 343 1.000 117.781 22.273 290.000 -99.200 -91.000 TRP 354 1.040 119.430 11.160 295.301 -99.200 -91.000 TRP6 354 1.020 119.464 13.484 295.198 -99.200 -91.000 PHE 356 1.000 122.968 16.930 296.491 -99.200 -91.000 TYR 360 0.840 122.051 23.322 292.444 -99.200 -91.000 TYR 362 0.840 120.808 28.493 288.706 -99.200 -91.000 HIS 376 0.900 117.911 46.188 300.612 -99.200 -91.000 PHE 379 1.000 113.351 38.029 294.535 -99.200 -91.000 TRP 388 1.040 112.092 9.578 281.599 -99.200 -91.000 TRP6 388 1.020 111.816 8.370 279.620 -99.200 -91.000 PHE 398 1.000 111.521 21.244 295.026 -99.200 -91.000 TYR 405 0.840 122.501 40.624 299.987 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lnlC1 GLY -3 HA2 0.08 -0.13 0.07 -0.51 4.01 3.51 1lnlC1 GLY -3 HA3 0.09 -0.01 0.04 -0.51 4.01 3.62 1lnlC1 HIS -2 H 0.17 0.06 0.02 -0.55 8.41 8.11 1lnlC1 HIS -2 HA 0.01 0.04 0.54 -0.75 4.63 4.47 1lnlC1 HIS -2 HB2 -0.00 -0.10 0.05 -0.04 3.26 3.17 1lnlC1 HIS -2 HB3 0.02 0.15 -0.00 -0.04 3.20 3.33 1lnlC1 HIS -2 HD2 -0.01 -0.02 0.00 -0.04 6.97 6.90 1lnlC1 HIS -2 HE1 -0.01 -0.04 -0.04 -0.04 7.75 7.63 1lnlC1 ARG -1 H 0.09 0.42 -1.20 -0.55 8.46 7.22 1lnlC1 ARG -1 HA -0.03 0.08 0.37 -0.75 4.34 4.01 1lnlC1 ARG -1 HB2 0.08 0.35 0.72 -0.04 1.90 3.01 1lnlC1 ARG -1 HB3 0.02 -0.11 0.11 -0.04 1.80 1.78 1lnlC1 ARG -1 HG2 0.23 -0.21 -0.73 -0.04 1.67 0.92 1lnlC1 ARG -1 HG3 0.17 -0.05 -0.15 -0.04 1.67 1.60 1lnlC1 ARG -1 HD2 0.01 -0.11 -0.12 -0.04 3.22 2.96 1lnlC1 ARG -1 HD3 -0.09 0.02 -0.04 -0.04 3.22 3.06 1lnlC1 ASN 1 HA 0.17 0.08 -0.16 -0.75 4.76 4.10 1lnlC1 ASN 1 HB2 0.18 -0.16 0.06 -0.04 2.88 2.91 1lnlC1 ASN 1 HB3 0.08 0.03 -0.25 -0.04 2.79 2.61 1lnlC1 ASN 1 HD21 -0.21 0.01 -0.05 -0.04 7.03 6.74 1lnlC1 ASN 1 HD22 -0.07 -0.06 -0.15 -0.04 7.74 7.41 1lnlC1 LEU 2 H 0.19 0.36 0.19 -0.55 8.37 8.56 1lnlC1 LEU 2 HA 0.10 0.19 0.51 -0.75 4.35 4.40 1lnlC1 LEU 2 HB2 0.18 -0.06 0.11 -0.04 1.64 1.83 1lnlC1 LEU 2 HB3 0.11 -0.04 -0.06 -0.04 1.64 1.61 1lnlC1 LEU 2 HG 0.10 0.05 -0.13 -0.04 1.64 1.63 1lnlC1 LEU 2 HD13 0.15 0.04 0.03 -0.04 0.93 1.10 1lnlC1 LEU 2 HD23 0.08 -0.02 -0.20 -0.04 0.89 0.71 1lnlC1 VAL 3 H 0.10 0.24 0.21 -0.55 8.24 8.23 1lnlC1 VAL 3 HA 0.13 0.26 1.10 -0.75 4.13 4.86 1lnlC1 VAL 3 HB 0.10 0.01 -0.07 -0.04 2.12 2.11 1lnlC1 VAL 3 HG13 0.08 0.04 0.12 -0.04 0.97 1.17 1lnlC1 VAL 3 HG23 0.14 -0.04 -0.24 -0.04 0.95 0.77 1lnlC1 ARG 4 H 0.23 0.81 0.39 -0.55 8.46 9.34 1lnlC1 ARG 4 HA 0.18 0.32 0.71 -0.75 4.34 4.81 1lnlC1 ARG 4 HB2 0.64 -0.04 0.03 -0.04 1.90 2.49 1lnlC1 ARG 4 HB3 0.52 0.03 -0.12 -0.04 1.80 2.19 1lnlC1 ARG 4 HG2 0.17 0.19 -0.42 -0.04 1.67 1.57 1lnlC1 ARG 4 HG3 0.17 -0.10 -0.31 -0.04 1.67 1.39 1lnlC1 ARG 4 HD2 0.27 -0.07 -0.18 -0.04 3.22 3.20 1lnlC1 ARG 4 HD3 0.44 0.08 -0.13 -0.04 3.22 3.58 1lnlC1 LYS 5 H 0.04 0.33 0.10 -0.55 8.42 8.33 1lnlC1 LYS 5 HA 0.17 0.08 0.88 -0.75 4.32 4.69 1lnlC1 LYS 5 HB2 0.04 0.05 -0.20 -0.04 1.87 1.73 1lnlC1 LYS 5 HB3 -0.09 0.08 -0.21 -0.04 1.79 1.53 1lnlC1 LYS 5 HG2 -0.10 -0.27 0.12 -0.04 1.46 1.17 1lnlC1 LYS 5 HG3 0.07 -0.02 0.07 -0.04 1.46 1.53 1lnlC1 LYS 5 HD2 -0.04 0.07 -0.23 -0.04 1.69 1.45 1lnlC1 LYS 5 HD3 -0.01 -0.01 0.00 -0.04 1.68 1.62 1lnlC1 LYS 5 HE2 0.06 -0.03 -0.02 -0.04 2.99 2.96 1lnlC1 LYS 5 HE3 0.03 -0.01 -0.05 -0.04 2.99 2.91 1lnlC1 SER 6 H -0.32 0.13 0.14 -0.55 8.46 7.86 1lnlC1 SER 6 HA -1.06 0.26 0.62 -0.75 4.49 3.56 1lnlC1 SER 6 HB2 -0.15 0.07 0.20 -0.04 3.95 4.04 1lnlC1 SER 6 HB3 -0.14 -0.08 0.21 -0.04 3.93 3.88 1lnlC1 VAL 7 H -0.28 0.57 0.23 -0.55 8.24 8.22 1lnlC1 VAL 7 HA -0.46 0.06 0.32 -0.75 4.13 3.29 1lnlC1 VAL 7 HB -0.34 -0.04 -0.12 -0.04 2.12 1.57 1lnlC1 VAL 7 HG13 -0.51 0.02 -0.15 -0.04 0.97 0.29 1lnlC1 VAL 7 HG23 0.07 0.04 -0.15 -0.04 0.95 0.87 1lnlC1 ARG 8 H -0.09 -0.05 -0.56 -0.55 8.46 7.21 1lnlC1 ARG 8 HA -0.02 0.05 0.54 -0.75 4.34 4.16 1lnlC1 ARG 8 HB2 -0.01 -0.08 0.11 -0.04 1.90 1.88 1lnlC1 ARG 8 HB3 0.01 0.05 -0.02 -0.04 1.80 1.80 1lnlC1 ARG 8 HG2 0.04 -0.04 -0.00 -0.04 1.67 1.63 1lnlC1 ARG 8 HG3 0.09 -0.03 0.02 -0.04 1.67 1.71 1lnlC1 ARG 8 HD2 0.07 0.00 -0.00 -0.04 3.22 3.25 1lnlC1 ARG 8 HD3 0.05 0.01 -0.03 -0.04 3.22 3.21 1lnlC1 ASN 9 H -0.07 0.03 -0.03 -0.55 8.53 7.92 1lnlC1 ASN 9 HA -0.01 0.13 0.39 -0.75 4.76 4.51 1lnlC1 ASN 9 HB2 -0.04 -0.07 0.16 -0.04 2.88 2.88 1lnlC1 ASN 9 HB3 -0.01 0.03 0.20 -0.04 2.79 2.97 1lnlC1 ASN 9 HD21 -0.00 -0.00 -0.00 -0.04 7.03 6.98 1lnlC1 ASN 9 HD22 -0.00 0.04 0.02 -0.04 7.74 7.76 1lnlC1 LEU 10 H -0.05 0.52 -0.65 -0.55 8.37 7.65 1lnlC1 LEU 10 HA -0.04 0.08 0.52 -0.75 4.35 4.15 1lnlC1 LEU 10 HB2 -0.02 0.03 -0.12 -0.04 1.64 1.49 1lnlC1 LEU 10 HB3 -0.05 -0.18 0.02 -0.04 1.64 1.40 1lnlC1 LEU 10 HG -0.22 0.43 -0.14 -0.04 1.64 1.66 1lnlC1 LEU 10 HD13 -0.40 -0.05 -0.05 -0.04 0.93 0.39 1lnlC1 LEU 10 HD23 -0.18 -0.04 -0.28 -0.04 0.89 0.35 1lnlC1 SER 11 H 0.01 0.10 0.18 -0.55 8.46 8.20 1lnlC1 SER 11 HA 0.03 0.34 0.80 -0.75 4.49 4.91 1lnlC1 SER 11 HB2 0.03 0.20 0.09 -0.04 3.95 4.23 1lnlC1 SER 11 HB3 0.03 -0.39 0.21 -0.04 3.93 3.74 1lnlC1 PRO 12 HA 0.11 0.11 0.35 -0.51 4.44 4.50 1lnlC1 PRO 12 HB2 0.05 0.01 0.06 -0.04 2.28 2.35 1lnlC1 PRO 12 HB3 0.05 0.08 0.09 -0.04 2.02 2.20 1lnlC1 PRO 12 HG2 0.04 0.07 0.10 -0.04 2.03 2.20 1lnlC1 PRO 12 HG3 0.05 0.09 0.10 -0.04 2.03 2.24 1lnlC1 PRO 12 HD2 0.04 0.08 0.24 -0.04 3.68 4.00 1lnlC1 PRO 12 HD3 0.04 0.34 0.31 -0.04 3.65 4.30 1lnlC1 ALA 13 H 0.05 0.06 -0.46 -0.55 8.40 7.50 1lnlC1 ALA 13 HA 0.02 0.13 0.47 -0.75 4.34 4.21 1lnlC1 ALA 13 HB3 0.05 0.03 0.03 -0.04 1.41 1.48 1lnlC1 GLU 14 H 0.04 -0.08 -0.06 -0.55 8.60 7.95 1lnlC1 GLU 14 HA 0.04 0.09 0.27 -0.75 4.29 3.92 1lnlC1 GLU 14 HB2 0.02 -0.45 0.34 -0.04 2.09 1.96 1lnlC1 GLU 14 HB3 -0.00 0.10 0.02 -0.04 1.99 2.06 1lnlC1 GLU 14 HG2 0.02 0.10 -0.01 -0.04 2.34 2.42 1lnlC1 GLU 14 HG3 0.03 -0.02 0.06 -0.04 2.34 2.37 1lnlC1 ARG 15 H 0.06 1.04 -0.18 -0.55 8.46 8.83 1lnlC1 ARG 15 HA 0.16 0.02 0.25 -0.75 4.34 4.01 1lnlC1 ARG 15 HB2 0.10 0.01 -0.13 -0.04 1.90 1.84 1lnlC1 ARG 15 HB3 0.14 0.08 0.03 -0.04 1.80 2.00 1lnlC1 ARG 15 HG2 0.05 -0.01 -0.04 -0.04 1.67 1.62 1lnlC1 ARG 15 HG3 0.19 -0.00 -0.07 -0.04 1.67 1.75 1lnlC1 ARG 15 HD2 0.24 -0.03 -0.08 -0.04 3.22 3.32 1lnlC1 ARG 15 HD3 -0.30 0.01 -0.20 -0.04 3.22 2.70 1lnlC1 ALA 16 H 0.14 0.44 -0.17 -0.55 8.40 8.26 1lnlC1 ALA 16 HA 0.24 -0.04 0.29 -0.75 4.34 4.08 1lnlC1 ALA 16 HB3 0.13 0.01 0.14 -0.04 1.41 1.65 1lnlC1 SER 17 H 0.06 0.65 -0.40 -0.55 8.46 8.22 1lnlC1 SER 17 HA 0.07 -0.01 0.27 -0.75 4.49 4.07 1lnlC1 SER 17 HB2 0.07 0.11 0.25 -0.04 3.95 4.34 1lnlC1 SER 17 HB3 0.06 -0.01 0.16 -0.04 3.93 4.09 1lnlC1 LEU 18 H 0.05 0.49 0.01 -0.55 8.37 8.38 1lnlC1 LEU 18 HA 0.15 -0.04 0.33 -0.75 4.35 4.04 1lnlC1 LEU 18 HB2 0.06 0.11 0.12 -0.04 1.64 1.90 1lnlC1 LEU 18 HB3 -0.03 -0.06 0.03 -0.04 1.64 1.54 1lnlC1 LEU 18 HG 0.04 0.08 0.07 -0.04 1.64 1.78 1lnlC1 LEU 18 HD13 -0.12 -0.03 -0.08 -0.04 0.93 0.66 1lnlC1 LEU 18 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.88 1lnlC1 VAL 19 H -0.11 0.62 -0.31 -0.55 8.24 7.89 1lnlC1 VAL 19 HA -0.10 -0.02 0.41 -0.75 4.13 3.67 1lnlC1 VAL 19 HB -0.24 0.09 0.14 -0.04 2.12 2.07 1lnlC1 VAL 19 HG13 -0.74 -0.04 -0.10 -0.04 0.97 0.06 1lnlC1 VAL 19 HG23 -1.31 0.05 -0.09 -0.04 0.95 -0.44 1lnlC1 ALA 20 H 0.04 0.61 0.08 -0.55 8.40 8.59 1lnlC1 ALA 20 HA 0.04 -0.02 0.41 -0.75 4.34 4.01 1lnlC1 ALA 20 HB3 0.09 0.01 0.15 -0.04 1.41 1.62 1lnlC1 ALA 21 H 0.08 0.67 -0.15 -0.55 8.40 8.45 1lnlC1 ALA 21 HA 0.09 0.08 0.26 -0.75 4.34 4.02 1lnlC1 ALA 21 HB3 0.15 0.01 0.08 -0.04 1.41 1.62 1lnlC1 LEU 22 H 0.12 0.55 0.09 -0.55 8.37 8.58 1lnlC1 LEU 22 HA -0.09 -0.01 0.41 -0.75 4.35 3.90 1lnlC1 LEU 22 HB2 -0.30 0.04 0.16 -0.04 1.64 1.50 1lnlC1 LEU 22 HB3 -0.46 0.03 -0.04 -0.04 1.64 1.13 1lnlC1 LEU 22 HG -0.23 -0.06 0.11 -0.04 1.64 1.42 1lnlC1 LEU 22 HD13 -0.43 -0.00 0.02 -0.04 0.93 0.48 1lnlC1 LEU 22 HD23 -0.68 0.01 -0.05 -0.04 0.89 0.12 1lnlC1 LYS 23 H -0.09 0.43 -0.53 -0.55 8.42 7.67 1lnlC1 LYS 23 HA -0.17 -0.03 0.41 -0.75 4.32 3.78 1lnlC1 LYS 23 HB2 -0.05 0.40 0.26 -0.04 1.87 2.43 1lnlC1 LYS 23 HB3 -0.05 0.06 0.14 -0.04 1.79 1.91 1lnlC1 LYS 23 HG2 -0.07 -0.04 0.13 -0.04 1.46 1.43 1lnlC1 LYS 23 HG3 -0.01 -0.01 0.05 -0.04 1.46 1.45 1lnlC1 LYS 23 HD2 0.03 -0.04 -0.00 -0.04 1.69 1.63 1lnlC1 LYS 23 HD3 -0.03 0.02 -0.12 -0.04 1.68 1.50 1lnlC1 LYS 23 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.91 1lnlC1 LYS 23 HE3 -0.03 0.02 0.04 -0.04 2.99 2.97 1lnlC1 SER 24 H -0.17 0.71 -0.06 -0.55 8.46 8.39 1lnlC1 SER 24 HA -0.16 -0.01 0.58 -0.75 4.49 4.15 1lnlC1 SER 24 HB2 -0.28 0.34 0.32 -0.04 3.95 4.29 1lnlC1 SER 24 HB3 -1.08 -0.04 0.01 -0.04 3.93 2.77 1lnlC1 LEU 25 H -0.46 0.62 0.13 -0.55 8.37 8.11 1lnlC1 LEU 25 HA -0.17 -0.02 0.33 -0.75 4.35 3.73 1lnlC1 LEU 25 HB2 0.04 0.06 0.12 -0.04 1.64 1.82 1lnlC1 LEU 25 HB3 -0.12 -0.01 0.30 -0.04 1.64 1.77 1lnlC1 LEU 25 HG 0.30 -0.09 -0.08 -0.04 1.64 1.74 1lnlC1 LEU 25 HD13 0.21 0.03 0.13 -0.04 0.93 1.26 1lnlC1 LEU 25 HD23 0.31 -0.00 0.00 -0.04 0.89 1.16 1lnlC1 GLN 26 H -0.27 0.92 -0.35 -0.55 8.47 8.23 1lnlC1 GLN 26 HA -0.40 -0.11 0.39 -0.75 4.36 3.48 1lnlC1 GLN 26 HB2 -0.26 0.18 0.19 -0.04 2.15 2.22 1lnlC1 GLN 26 HB3 -0.25 -0.09 0.09 -0.04 2.02 1.72 1lnlC1 GLN 26 HG2 -1.21 -0.10 0.11 -0.04 2.40 1.16 1lnlC1 GLN 26 HG3 -0.61 0.06 0.03 -0.04 2.39 1.84 1lnlC1 GLN 26 HE21 -0.23 0.31 0.32 -0.04 6.97 7.32 1lnlC1 GLN 26 HE22 -0.41 -0.10 0.04 -0.04 7.69 7.18 1lnlC1 GLU 27 H -0.12 0.58 -0.18 -0.55 8.60 8.34 1lnlC1 GLU 27 HA -0.01 0.22 1.11 -0.75 4.29 4.85 1lnlC1 GLU 27 HB2 -0.02 -0.07 0.32 -0.04 2.09 2.27 1lnlC1 GLU 27 HB3 -0.03 -0.05 0.11 -0.04 1.99 1.98 1lnlC1 GLU 27 HG2 -0.07 -0.06 0.04 -0.04 2.34 2.21 1lnlC1 GLU 27 HG3 -0.10 0.16 0.20 -0.04 2.34 2.55 1lnlC1 ASP 28 H 0.03 0.50 -0.48 -0.55 8.40 7.90 1lnlC1 ASP 28 HA 0.06 0.09 0.79 -0.75 4.63 4.82 1lnlC1 ASP 28 HB2 0.15 0.07 0.02 -0.04 2.71 2.91 1lnlC1 ASP 28 HB3 0.12 0.09 0.34 -0.04 2.70 3.21 1lnlC1 SER 29 H 0.04 0.28 0.02 -0.55 8.46 8.24 1lnlC1 SER 29 HA 0.05 0.09 0.15 -0.75 4.49 4.03 1lnlC1 SER 29 HB2 0.03 0.01 0.09 -0.04 3.95 4.04 1lnlC1 SER 29 HB3 0.03 0.01 0.12 -0.04 3.93 4.05 1lnlC1 SER 30 H 0.04 -0.02 -1.22 -0.55 8.46 6.72 1lnlC1 SER 30 HA 0.02 0.04 0.36 -0.75 4.49 4.15 1lnlC1 SER 30 HB2 0.03 0.01 -0.00 -0.04 3.95 3.94 1lnlC1 SER 30 HB3 0.04 0.09 -0.08 -0.04 3.93 3.94 1lnlC1 ALA 31 H 0.01 0.10 0.15 -0.55 8.40 8.11 1lnlC1 ALA 31 HA 0.04 0.15 0.46 -0.75 4.34 4.23 1lnlC1 ALA 31 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 1lnlC1 ASP 32 H 0.01 -0.02 -0.34 -0.55 8.40 7.50 1lnlC1 ASP 32 HA -0.06 0.27 0.78 -0.75 4.63 4.86 1lnlC1 ASP 32 HB2 0.01 -0.20 -0.03 -0.04 2.71 2.44 1lnlC1 ASP 32 HB3 -0.02 0.00 0.00 -0.04 2.70 2.65 1lnlC1 GLY 33 H -0.00 0.74 -0.69 -0.55 8.43 7.94 1lnlC1 GLY 33 HA2 0.06 0.02 0.85 -0.51 4.01 4.44 1lnlC1 GLY 33 HA3 0.05 0.55 0.44 -0.51 4.01 4.53 1lnlC1 PHE 34 H 0.19 0.30 0.20 -0.55 8.34 8.48 1lnlC1 PHE 34 HA -0.08 0.02 0.29 -0.75 4.62 4.09 1lnlC1 PHE 34 HB2 -0.03 0.09 -0.06 -0.04 3.15 3.12 1lnlC1 PHE 34 HB3 -0.03 -0.09 0.26 -0.04 3.06 3.16 1lnlC1 PHE 34 HD2 0.03 -0.07 0.06 -0.04 7.28 7.26 1lnlC1 PHE 34 HE2 -0.05 -0.03 0.01 -0.04 7.38 7.27 1lnlC1 PHE 34 HZ -0.08 0.20 -0.06 -0.04 7.32 7.34 1lnlC1 GLN 35 H 0.46 0.20 0.07 -0.55 8.47 8.65 1lnlC1 GLN 35 HA -0.02 -0.04 0.37 -0.75 4.36 3.92 1lnlC1 GLN 35 HB2 0.21 0.09 0.16 -0.04 2.15 2.57 1lnlC1 GLN 35 HB3 0.11 0.07 -0.08 -0.04 2.02 2.07 1lnlC1 GLN 35 HG2 0.16 -0.02 0.06 -0.04 2.40 2.56 1lnlC1 GLN 35 HG3 0.20 -0.02 0.18 -0.04 2.39 2.70 1lnlC1 GLN 35 HE21 0.34 0.00 0.16 -0.04 6.97 7.43 1lnlC1 GLN 35 HE22 0.43 -0.01 0.20 -0.04 7.69 8.27 1lnlC1 SER 36 H -0.06 0.63 -0.29 -0.55 8.46 8.20 1lnlC1 SER 36 HA 0.03 0.05 1.03 -0.75 4.49 4.84 1lnlC1 SER 36 HB2 0.07 -0.12 0.08 -0.04 3.95 3.93 1lnlC1 SER 36 HB3 0.01 0.24 0.16 -0.04 3.93 4.30 1lnlC1 LEU 37 H -0.33 1.08 0.37 -0.55 8.37 8.94 1lnlC1 LEU 37 HA -1.30 0.04 0.50 -0.75 4.35 2.83 1lnlC1 LEU 37 HB2 -0.77 0.06 0.10 -0.04 1.64 0.99 1lnlC1 LEU 37 HB3 -1.31 -0.12 -0.09 -0.04 1.64 0.08 1lnlC1 LEU 37 HG -0.45 0.11 -0.33 -0.04 1.64 0.92 1lnlC1 LEU 37 HD13 -1.17 -0.02 -0.11 -0.04 0.93 -0.40 1lnlC1 LEU 37 HD23 -0.58 -0.00 -0.01 -0.04 0.89 0.26 1lnlC1 ALA 38 H -0.48 0.27 -0.34 -0.55 8.40 7.30 1lnlC1 ALA 38 HA -0.20 -0.05 0.29 -0.75 4.34 3.62 1lnlC1 ALA 38 HB3 -0.84 0.04 -0.13 -0.04 1.41 0.44 1lnlC1 SER 39 H -0.06 0.23 -0.39 -0.55 8.46 7.69 1lnlC1 SER 39 HA 0.09 0.07 0.00 -0.75 4.49 3.91 1lnlC1 SER 39 HB2 0.10 0.17 0.10 -0.04 3.95 4.27 1lnlC1 SER 39 HB3 0.02 0.09 0.06 -0.04 3.93 4.05 1lnlC1 PHE 40 H 0.17 0.64 -0.88 -0.55 8.34 7.72 1lnlC1 PHE 40 HA -0.15 0.08 0.56 -0.75 4.62 4.35 1lnlC1 PHE 40 HB2 0.03 0.02 0.17 -0.04 3.15 3.32 1lnlC1 PHE 40 HB3 -0.15 -0.11 -0.03 -0.04 3.06 2.73 1lnlC1 PHE 40 HD2 -0.43 -0.05 -0.13 -0.04 7.28 6.63 1lnlC1 PHE 40 HE2 -0.21 0.02 -0.08 -0.04 7.38 7.07 1lnlC1 PHE 40 HZ -0.11 0.04 -0.05 -0.04 7.32 7.16 1lnlC1 HIS 41 H 0.21 0.18 0.02 -0.55 8.41 8.27 1lnlC1 HIS 41 HA -0.29 0.08 0.28 -0.75 4.63 3.95 1lnlC1 HIS 41 HB2 -0.14 -0.02 0.10 -0.04 3.26 3.16 1lnlC1 HIS 41 HB3 0.08 -0.04 0.02 -0.04 3.20 3.22 1lnlC1 HIS 41 HD2 -0.69 -0.00 0.02 -0.04 6.97 6.25 1lnlC1 HIS 41 HE1 0.28 -0.12 -0.07 -0.04 7.75 7.80 1lnlC1 ALA 42 H 0.14 0.25 -0.50 -0.55 8.40 7.74 1lnlC1 ALA 42 HA -0.05 0.05 0.36 -0.75 4.34 3.95 1lnlC1 ALA 42 HB3 0.16 -0.02 -0.26 -0.04 1.41 1.25 1lnlC1 GLN 43 H 0.29 0.29 0.07 -0.55 8.47 8.58 1lnlC1 GLN 43 HA -0.04 0.09 0.82 -0.75 4.36 4.48 1lnlC1 GLN 43 HB2 0.25 0.04 0.17 -0.04 2.15 2.57 1lnlC1 GLN 43 HB3 0.54 -0.01 -0.03 -0.04 2.02 2.48 1lnlC1 GLN 43 HG2 -0.11 0.09 0.12 -0.04 2.40 2.46 1lnlC1 GLN 43 HG3 -0.39 -0.14 -0.01 -0.04 2.39 1.81 1lnlC1 GLN 43 HE21 0.18 -0.03 0.02 -0.04 6.97 7.10 1lnlC1 GLN 43 HE22 -0.03 0.07 0.07 -0.04 7.69 7.76 1lnlC1 PRO 44 HA -0.30 -0.06 0.47 -0.51 4.44 4.05 1lnlC1 PRO 44 HB2 -0.20 0.18 0.00 -0.04 2.28 2.22 1lnlC1 PRO 44 HB3 -0.54 -0.12 0.15 -0.04 2.02 1.48 1lnlC1 PRO 44 HG2 -0.14 0.17 0.18 -0.04 2.03 2.20 1lnlC1 PRO 44 HG3 -0.21 -0.01 0.14 -0.04 2.03 1.91 1lnlC1 PRO 44 HD2 -0.13 0.15 0.55 -0.04 3.68 4.22 1lnlC1 PRO 44 HD3 -1.45 -0.10 0.18 -0.04 3.65 2.24 1lnlC1 PRO 45 HA -0.05 0.34 0.46 -0.51 4.44 4.68 1lnlC1 PRO 45 HB2 -0.03 0.02 -0.40 -0.04 2.28 1.83 1lnlC1 PRO 45 HB3 -0.02 -0.09 0.01 -0.04 2.02 1.88 1lnlC1 PRO 45 HG2 -0.06 -0.02 -0.03 -0.04 2.03 1.88 1lnlC1 PRO 45 HG3 -0.07 -0.04 0.08 -0.04 2.03 1.96 1lnlC1 PRO 45 HD2 -0.12 0.07 0.21 -0.04 3.68 3.80 1lnlC1 PRO 45 HD3 -0.11 -0.03 0.26 -0.04 3.65 3.73 1lnlC1 LEU 46 H -0.08 0.13 -0.03 -0.55 8.37 7.85 1lnlC1 LEU 46 HA -0.04 -0.03 0.45 -0.75 4.35 3.97 1lnlC1 LEU 46 HB2 -0.18 -0.17 0.22 -0.04 1.64 1.47 1lnlC1 LEU 46 HB3 -0.14 0.19 0.12 -0.04 1.64 1.76 1lnlC1 LEU 46 HG -0.22 -0.01 -0.04 -0.04 1.64 1.34 1lnlC1 LEU 46 HD13 -0.50 -0.04 -0.05 -0.04 0.93 0.30 1lnlC1 LEU 46 HD23 -0.10 0.05 -0.22 -0.04 0.89 0.58 1lnlC1 CYS 47 H 0.03 0.07 0.14 -0.55 8.50 8.20 1lnlC1 CYS 47 HA 0.02 0.28 1.27 -0.75 4.58 5.41 1lnlC1 CYS 47 HB2 -0.03 0.05 -0.15 -0.04 2.97 2.80 1lnlC1 CYS 47 HB3 0.03 -0.02 -0.15 -0.04 2.97 2.79 1lnlC1 PRO 48 HA 0.06 0.05 0.42 -0.51 4.44 4.46 1lnlC1 PRO 48 HB2 0.08 -0.08 0.02 -0.04 2.28 2.26 1lnlC1 PRO 48 HB3 0.09 0.00 0.15 -0.04 2.02 2.23 1lnlC1 PRO 48 HG2 0.23 0.17 0.35 -0.04 2.03 2.73 1lnlC1 PRO 48 HG3 0.24 0.07 0.21 -0.04 2.03 2.51 1lnlC1 PRO 48 HD2 0.08 -0.01 0.28 -0.04 3.68 3.99 1lnlC1 PRO 48 HD3 0.12 0.57 0.32 -0.04 3.65 4.62 1lnlC1 ALA 49 H 0.11 0.65 -0.44 -0.55 8.40 8.17 1lnlC1 ALA 49 HA -0.12 0.17 0.28 -0.75 4.34 3.91 1lnlC1 ALA 49 HB3 -0.04 -0.01 -0.15 -0.04 1.41 1.17 1lnlC1 PRO 50 HA -0.01 0.13 0.58 -0.51 4.44 4.63 1lnlC1 PRO 50 HB2 -0.37 0.06 0.09 -0.04 2.28 2.03 1lnlC1 PRO 50 HB3 -0.15 0.07 0.04 -0.04 2.02 1.94 1lnlC1 PRO 50 HG2 0.03 0.06 -0.36 -0.04 2.03 1.72 1lnlC1 PRO 50 HG3 0.07 0.06 -0.05 -0.04 2.03 2.07 1lnlC1 PRO 50 HD2 -0.12 0.05 0.06 -0.04 3.68 3.63 1lnlC1 PRO 50 HD3 -0.43 0.17 0.06 -0.04 3.65 3.41 1lnlC1 ALA 51 H -0.00 -0.06 -0.49 -0.55 8.40 7.30 1lnlC1 ALA 51 HA 0.01 0.07 0.10 -0.75 4.34 3.76 1lnlC1 ALA 51 HB3 0.03 0.05 0.11 -0.04 1.41 1.57 1lnlC1 ALA 52 H 0.01 0.07 -0.25 -0.55 8.40 7.68 1lnlC1 ALA 52 HA 0.01 0.26 0.83 -0.75 4.34 4.68 1lnlC1 ALA 52 HB3 0.01 0.00 -0.02 -0.04 1.41 1.36 1lnlC1 ASN 53 H 0.03 0.08 0.00 -0.55 8.53 8.10 1lnlC1 ASN 53 HA 0.01 0.28 0.82 -0.75 4.76 5.12 1lnlC1 ASN 53 HB2 0.03 -0.09 0.20 -0.04 2.88 2.99 1lnlC1 ASN 53 HB3 0.02 0.03 0.04 -0.04 2.79 2.84 1lnlC1 ASN 53 HD21 0.01 0.00 -0.03 -0.04 7.03 6.98 1lnlC1 ASN 53 HD22 0.01 -0.00 -0.01 -0.04 7.74 7.70 1lnlC1 LYS 54 H 0.04 0.12 0.12 -0.55 8.42 8.14 1lnlC1 LYS 54 HA -0.05 0.16 0.77 -0.75 4.32 4.44 1lnlC1 LYS 54 HB2 -0.00 -0.01 0.12 -0.04 1.87 1.93 1lnlC1 LYS 54 HB3 -0.18 0.05 -0.02 -0.04 1.79 1.60 1lnlC1 LYS 54 HG2 0.01 -0.06 0.03 -0.04 1.46 1.39 1lnlC1 LYS 54 HG3 -0.02 0.03 0.01 -0.04 1.46 1.43 1lnlC1 LYS 54 HD2 -0.05 0.02 -0.02 -0.04 1.69 1.60 1lnlC1 LYS 54 HD3 -0.02 0.07 -0.25 -0.04 1.68 1.44 1lnlC1 LYS 54 HE2 -0.00 -0.02 -0.07 -0.04 2.99 2.86 1lnlC1 LYS 54 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.91 1lnlC1 ALA 55 H -0.07 0.21 0.00 -0.55 8.40 8.00 1lnlC1 ALA 55 HA 0.03 0.05 0.45 -0.75 4.34 4.12 1lnlC1 ALA 55 HB3 -0.03 0.03 -0.07 -0.04 1.41 1.29 1lnlC1 PHE 56 H 0.34 0.18 0.20 -0.55 8.34 8.51 1lnlC1 PHE 56 HA -0.00 0.07 0.65 -0.75 4.62 4.58 1lnlC1 PHE 56 HB2 -0.01 -0.09 0.09 -0.04 3.15 3.10 1lnlC1 PHE 56 HB3 -0.02 0.21 0.02 -0.04 3.06 3.23 1lnlC1 PHE 56 HD2 0.00 0.13 0.04 -0.04 7.28 7.42 1lnlC1 PHE 56 HE2 0.00 -0.01 0.04 -0.04 7.38 7.37 1lnlC1 PHE 56 HZ 0.00 -0.05 0.01 -0.04 7.32 7.24 1lnlC1 ALA 57 H 0.07 0.15 0.16 -0.55 8.40 8.24 1lnlC1 ALA 57 HA -0.03 0.02 0.60 -0.75 4.34 4.19 1lnlC1 ALA 57 HB3 0.00 0.00 -0.03 -0.04 1.41 1.35 1lnlC1 CYS 58 H -0.15 0.38 0.06 -0.55 8.50 8.24 1lnlC1 CYS 58 HA -0.22 0.23 1.32 -0.75 4.58 5.15 1lnlC1 CYS 58 HB2 -0.09 0.04 -0.49 -0.04 2.97 2.39 1lnlC1 CYS 58 HB3 -0.07 -0.13 -0.03 -0.04 2.97 2.70 1lnlC1 CYS 59 H -0.56 0.01 -0.05 -0.55 8.50 7.36 1lnlC1 CYS 59 HA -2.92 0.01 0.38 -0.75 4.58 1.29 1lnlC1 CYS 59 HB2 -1.46 -0.15 0.10 -0.04 2.97 1.42 1lnlC1 CYS 59 HB3 -1.40 0.50 0.73 -0.04 2.97 2.76 1lnlC1 VAL 60 H -0.70 0.15 0.12 -0.55 8.24 7.26 1lnlC1 VAL 60 HA -0.16 0.08 0.44 -0.75 4.13 3.73 1lnlC1 VAL 60 HB 0.18 0.03 0.11 -0.04 2.12 2.40 1lnlC1 VAL 60 HG13 0.16 -0.06 -0.62 -0.04 0.97 0.41 1lnlC1 VAL 60 HG23 0.16 0.04 0.08 -0.04 0.95 1.19 1lnlC1 HIS 61 H -0.19 0.24 0.36 -0.55 8.41 8.28 1lnlC1 HIS 61 HA -0.55 -0.01 0.69 -0.75 4.63 4.01 1lnlC1 HIS 61 HB2 -0.32 0.03 0.15 -0.04 3.26 3.09 1lnlC1 HIS 61 HB3 -0.51 -0.04 0.03 -0.04 3.20 2.64 1lnlC1 HIS 61 HD2 -0.00 0.09 -0.28 -0.04 6.97 6.74 1lnlC1 HIS 61 HE1 -0.42 -0.01 -0.09 -0.04 7.75 7.19 1lnlC1 GLY 62 H -0.84 0.13 0.09 -0.55 8.43 7.26 1lnlC1 GLY 62 HA2 -1.59 -0.02 0.26 -0.51 4.01 2.14 1lnlC1 GLY 62 HA3 -1.69 0.17 0.26 -0.51 4.01 2.24 1lnlC1 MET 63 H -0.15 0.09 -0.59 -0.55 8.47 7.28 1lnlC1 MET 63 HA 0.12 0.20 0.75 -0.75 4.52 4.84 1lnlC1 MET 63 HB2 0.07 -0.06 -0.14 -0.04 2.15 1.97 1lnlC1 MET 63 HB3 0.09 -0.09 0.10 -0.04 2.03 2.09 1lnlC1 MET 63 HG2 0.07 0.15 -0.38 -0.04 2.63 2.43 1lnlC1 MET 63 HG3 -0.04 0.25 -0.31 -0.04 2.56 2.42 1lnlC1 MET 63 HE3 -0.02 0.00 0.00 -0.04 2.10 2.04 1lnlC1 ALA 64 H 0.12 0.17 0.12 -0.55 8.40 8.27 1lnlC1 ALA 64 HA 0.06 0.11 0.52 -0.75 4.34 4.28 1lnlC1 ALA 64 HB3 0.18 0.01 0.10 -0.04 1.41 1.66 1lnlC1 THR 65 H 0.16 0.11 -0.13 -0.55 8.28 7.88 1lnlC1 THR 65 HA 0.23 0.05 0.21 -0.75 4.39 4.13 1lnlC1 THR 65 HB 0.22 0.09 0.19 -0.04 4.32 4.77 1lnlC1 THR 65 HG23 0.16 0.02 -0.13 -0.04 1.22 1.23 1lnlC1 PHE 66 H 0.26 0.25 -1.49 -0.55 8.34 6.81 1lnlC1 PHE 66 HA 0.16 0.15 0.47 -0.75 4.62 4.64 1lnlC1 PHE 66 HB2 -0.01 -0.09 -0.06 -0.04 3.15 2.96 1lnlC1 PHE 66 HB3 -0.01 0.09 0.07 -0.04 3.06 3.17 1lnlC1 PHE 66 HD2 0.01 0.17 -0.01 -0.04 7.28 7.41 1lnlC1 PHE 66 HE2 -0.94 -0.01 -0.07 -0.04 7.38 6.32 1lnlC1 PHE 66 HZ -0.11 -0.04 -0.03 -0.04 7.32 7.10 1lnlC1 PRO 67 HA -0.64 0.03 0.31 -0.51 4.44 3.64 1lnlC1 PRO 67 HB2 -0.54 0.00 0.02 -0.04 2.28 1.72 1lnlC1 PRO 67 HB3 -0.78 0.02 0.01 -0.04 2.02 1.23 1lnlC1 PRO 67 HG2 -0.46 0.06 0.04 -0.04 2.03 1.62 1lnlC1 PRO 67 HG3 -0.31 0.02 0.03 -0.04 2.03 1.73 1lnlC1 PRO 67 HD2 0.00 0.21 0.14 -0.04 3.68 3.99 1lnlC1 PRO 67 HD3 0.22 0.13 0.16 -0.04 3.65 4.12 1lnlC1 GLU 68 H 0.01 0.11 -0.37 -0.55 8.60 7.80 1lnlC1 GLU 68 HA 0.07 0.04 0.24 -0.75 4.29 3.89 1lnlC1 GLU 68 HB2 0.18 0.09 0.02 -0.04 2.09 2.33 1lnlC1 GLU 68 HB3 0.13 0.12 -0.03 -0.04 1.99 2.17 1lnlC1 GLU 68 HG2 0.27 -0.05 -0.12 -0.04 2.34 2.40 1lnlC1 GLU 68 HG3 -0.09 0.03 -0.13 -0.04 2.34 2.11 1lnlC1 TRP 69 H 0.39 0.30 -0.21 -0.55 7.97 7.91 1lnlC1 TRP 69 HA 0.13 0.07 0.37 -0.75 4.62 4.44 1lnlC1 TRP 69 HB2 0.18 0.07 0.25 -0.04 3.23 3.69 1lnlC1 TRP 69 HB3 0.34 0.00 0.23 -0.04 3.23 3.77 1lnlC1 TRP 69 HD1 0.12 0.02 0.08 -0.04 7.22 7.40 1lnlC1 TRP 69 HE1 -0.07 0.30 -0.01 -0.04 10.20 10.38 1lnlC1 TRP 69 HE3 -0.09 0.02 -0.48 -0.04 7.59 6.99 1lnlC1 TRP 69 HZ2 -0.38 0.13 -0.20 -0.04 7.44 6.95 1lnlC1 TRP 69 HZ3 -0.84 -0.06 -0.08 -0.04 7.13 6.10 1lnlC1 TRP 69 HH2 -0.78 -0.02 -0.15 -0.04 7.19 6.21 1lnlC1 HIS 70 H 0.88 0.41 -0.00 -0.55 8.41 9.15 1lnlC1 HIS 70 HA 0.80 -0.02 0.39 -0.75 4.63 5.05 1lnlC1 HIS 70 HB2 -0.08 0.06 0.06 -0.04 3.26 3.26 1lnlC1 HIS 70 HB3 0.20 -0.10 -0.04 -0.04 3.20 3.22 1lnlC1 HIS 70 HD2 0.53 0.12 0.02 -0.04 6.97 7.59 1lnlC1 HIS 70 HE1 0.88 -0.04 -0.06 -0.04 7.75 8.49 1lnlC1 ARG 71 H 0.15 1.12 -0.26 -0.55 8.46 8.92 1lnlC1 ARG 71 HA 0.11 -0.10 0.52 -0.75 4.34 4.11 1lnlC1 ARG 71 HB2 0.18 -0.13 0.00 -0.04 1.90 1.91 1lnlC1 ARG 71 HB3 0.08 0.15 0.11 -0.04 1.80 2.10 1lnlC1 ARG 71 HG2 0.15 0.12 -0.05 -0.04 1.67 1.85 1lnlC1 ARG 71 HG3 0.03 -0.07 -0.20 -0.04 1.67 1.38 1lnlC1 ARG 71 HD2 0.26 -0.06 -0.01 -0.04 3.22 3.38 1lnlC1 ARG 71 HD3 0.17 -0.09 0.01 -0.04 3.22 3.27 1lnlC1 LEU 72 H -0.25 0.66 0.07 -0.55 8.37 8.31 1lnlC1 LEU 72 HA -0.60 -0.05 0.39 -0.75 4.35 3.34 1lnlC1 LEU 72 HB2 -1.13 0.27 0.20 -0.04 1.64 0.93 1lnlC1 LEU 72 HB3 -2.24 -0.11 -0.06 -0.04 1.64 -0.82 1lnlC1 LEU 72 HG -0.77 0.05 0.01 -0.04 1.64 0.89 1lnlC1 LEU 72 HD13 -0.48 -0.01 0.03 -0.04 0.93 0.43 1lnlC1 LEU 72 HD23 -0.24 0.06 0.04 -0.04 0.89 0.70 1lnlC1 TYR 73 H 0.01 0.30 -0.59 -0.55 8.29 7.46 1lnlC1 TYR 73 HA 0.19 0.05 0.22 -0.75 4.56 4.26 1lnlC1 TYR 73 HB2 0.12 0.03 0.03 -0.04 3.06 3.20 1lnlC1 TYR 73 HB3 0.27 0.04 0.08 -0.04 2.98 3.33 1lnlC1 TYR 73 HD2 0.21 -0.02 -0.07 -0.04 7.15 7.23 1lnlC1 TYR 73 HE2 -0.70 0.03 -0.05 -0.04 6.85 6.09 1lnlC1 THR 74 H 0.17 0.52 -0.03 -0.55 8.28 8.39 1lnlC1 THR 74 HA 0.17 0.01 0.21 -0.75 4.39 4.02 1lnlC1 THR 74 HB 0.05 -0.05 -0.08 -0.04 4.32 4.19 1lnlC1 THR 74 HG23 0.19 0.05 -0.04 -0.04 1.22 1.38 1lnlC1 VAL 75 H -0.14 0.44 -0.11 -0.55 8.24 7.89 1lnlC1 VAL 75 HA -0.11 -0.12 0.56 -0.75 4.13 3.71 1lnlC1 VAL 75 HB -0.32 0.16 0.06 -0.04 2.12 1.98 1lnlC1 VAL 75 HG13 -0.06 -0.02 -0.07 -0.04 0.97 0.78 1lnlC1 VAL 75 HG23 -0.34 0.02 0.00 -0.04 0.95 0.59 1lnlC1 GLN 76 H -0.10 0.79 -0.32 -0.55 8.47 8.30 1lnlC1 GLN 76 HA -0.06 -0.10 0.29 -0.75 4.36 3.74 1lnlC1 GLN 76 HB2 0.18 -0.05 0.07 -0.04 2.15 2.31 1lnlC1 GLN 76 HB3 0.03 0.19 0.15 -0.04 2.02 2.35 1lnlC1 GLN 76 HG2 -0.29 -0.00 -0.07 -0.04 2.40 2.01 1lnlC1 GLN 76 HG3 -0.36 0.01 -0.01 -0.04 2.39 2.00 1lnlC1 GLN 76 HE21 0.23 -0.11 -0.04 -0.04 6.97 7.01 1lnlC1 GLN 76 HE22 -0.11 0.09 -0.02 -0.04 7.69 7.61 1lnlC1 PHE 77 H 0.03 0.51 -0.81 -0.55 8.34 7.53 1lnlC1 PHE 77 HA -0.14 0.12 0.62 -0.75 4.62 4.47 1lnlC1 PHE 77 HB2 -0.16 0.21 0.19 -0.04 3.15 3.35 1lnlC1 PHE 77 HB3 -0.06 -0.15 -0.02 -0.04 3.06 2.79 1lnlC1 PHE 77 HD2 -0.42 0.03 -0.08 -0.04 7.28 6.77 1lnlC1 PHE 77 HE2 -1.20 -0.03 -0.11 -0.04 7.38 6.00 1lnlC1 PHE 77 HZ -0.74 0.01 -0.18 -0.04 7.32 6.36 1lnlC1 GLU 78 H 0.04 0.33 0.13 -0.55 8.60 8.55 1lnlC1 GLU 78 HA 0.09 0.03 0.60 -0.75 4.29 4.25 1lnlC1 GLU 78 HB2 -0.03 0.06 0.21 -0.04 2.09 2.29 1lnlC1 GLU 78 HB3 0.02 -0.02 0.18 -0.04 1.99 2.13 1lnlC1 GLU 78 HG2 0.05 0.05 -0.02 -0.04 2.34 2.39 1lnlC1 GLU 78 HG3 0.05 -0.11 0.16 -0.04 2.34 2.40 1lnlC1 ASP 79 H 0.01 0.45 0.17 -0.55 8.40 8.49 1lnlC1 ASP 79 HA 0.04 -0.01 0.35 -0.75 4.63 4.25 1lnlC1 ASP 79 HB2 0.00 0.14 0.03 -0.04 2.71 2.84 1lnlC1 ASP 79 HB3 0.02 -0.01 0.18 -0.04 2.70 2.84 1lnlC1 ALA 80 H 0.05 1.14 -1.34 -0.55 8.40 7.70 1lnlC1 ALA 80 HA 0.00 0.11 0.69 -0.75 4.34 4.38 1lnlC1 ALA 80 HB3 -0.01 0.18 -0.16 -0.04 1.41 1.38 1lnlC1 LEU 81 H 0.10 0.89 0.54 -0.55 8.37 9.35 1lnlC1 LEU 81 HA 0.20 0.21 0.84 -0.75 4.35 4.85 1lnlC1 LEU 81 HB2 0.13 0.03 0.36 -0.04 1.64 2.12 1lnlC1 LEU 81 HB3 0.15 -0.06 0.13 -0.04 1.64 1.82 1lnlC1 LEU 81 HG 0.20 0.31 0.04 -0.04 1.64 2.15 1lnlC1 LEU 81 HD13 0.25 -0.03 0.01 -0.04 0.93 1.12 1lnlC1 LEU 81 HD23 0.20 -0.00 0.03 -0.04 0.89 1.07 1lnlC1 ARG 82 H 0.07 0.44 0.18 -0.55 8.46 8.59 1lnlC1 ARG 82 HA 0.07 -0.13 0.45 -0.75 4.34 3.97 1lnlC1 ARG 82 HB2 0.04 0.04 0.01 -0.04 1.90 1.95 1lnlC1 ARG 82 HB3 0.06 0.13 -0.01 -0.04 1.80 1.94 1lnlC1 ARG 82 HG2 0.05 0.02 -0.09 -0.04 1.67 1.60 1lnlC1 ARG 82 HG3 0.04 0.02 0.07 -0.04 1.67 1.77 1lnlC1 ARG 82 HD2 0.00 0.03 -0.50 -0.04 3.22 2.71 1lnlC1 ARG 82 HD3 0.02 0.00 -0.17 -0.04 3.22 3.03 1lnlC1 ARG 83 H 0.01 0.12 -0.86 -0.55 8.46 7.18 1lnlC1 ARG 83 HA -0.10 0.08 0.41 -0.75 4.34 3.98 1lnlC1 ARG 83 HB2 -0.10 0.02 -0.06 -0.04 1.90 1.72 1lnlC1 ARG 83 HB3 -0.30 0.23 -0.12 -0.04 1.80 1.57 1lnlC1 ARG 83 HG2 -0.49 -0.02 -0.01 -0.04 1.67 1.11 1lnlC1 ARG 83 HG3 -0.16 -0.04 0.06 -0.04 1.67 1.49 1lnlC1 ARG 83 HD2 -0.11 0.12 0.01 -0.04 3.22 3.20 1lnlC1 ARG 83 HD3 -0.11 -0.08 -0.02 -0.04 3.22 2.97 1lnlC1 HIS 84 H 0.07 0.24 -1.01 -0.55 8.41 7.16 1lnlC1 HIS 84 HA 0.04 0.16 0.71 -0.75 4.63 4.78 1lnlC1 HIS 84 HB2 0.05 0.01 0.12 -0.04 3.26 3.40 1lnlC1 HIS 84 HB3 0.04 -0.02 0.18 -0.04 3.20 3.36 1lnlC1 HIS 84 HD2 0.05 0.19 0.04 -0.04 6.97 7.20 1lnlC1 HIS 84 HE1 0.02 -0.04 -0.12 -0.04 7.75 7.56 1lnlC1 GLY 85 H 0.05 0.37 -0.45 -0.55 8.43 7.85 1lnlC1 GLY 85 HA2 0.06 0.05 0.28 -0.51 4.01 3.88 1lnlC1 GLY 85 HA3 0.07 0.04 0.32 -0.51 4.01 3.93 1lnlC1 SER 86 H 0.10 0.21 -0.26 -0.55 8.46 7.96 1lnlC1 SER 86 HA 0.10 0.08 0.47 -0.75 4.49 4.38 1lnlC1 SER 86 HB2 0.11 -0.00 0.07 -0.04 3.95 4.09 1lnlC1 SER 86 HB3 0.13 0.03 -0.08 -0.04 3.93 3.97 1lnlC1 VAL 87 H 0.07 0.72 0.13 -0.55 8.24 8.61 1lnlC1 VAL 87 HA 0.05 -0.01 0.26 -0.75 4.13 3.68 1lnlC1 VAL 87 HB 0.05 -0.05 0.03 -0.04 2.12 2.11 1lnlC1 VAL 87 HG13 0.04 -0.02 -0.10 -0.04 0.97 0.86 1lnlC1 VAL 87 HG23 0.05 0.03 0.11 -0.04 0.95 1.10 1lnlC1 VAL 88 H 0.06 -0.04 -0.73 -0.55 8.24 6.98 1lnlC1 VAL 88 HA 0.06 0.18 0.88 -0.75 4.13 4.49 1lnlC1 VAL 88 HB 0.04 0.04 0.21 -0.04 2.12 2.37 1lnlC1 VAL 88 HG13 0.04 -0.03 -0.16 -0.04 0.97 0.77 1lnlC1 VAL 88 HG23 0.01 -0.03 -0.25 -0.04 0.95 0.65 1lnlC1 GLY 89 H 0.07 0.39 0.20 -0.55 8.43 8.54 1lnlC1 GLY 89 HA2 0.07 0.02 0.52 -0.51 4.01 4.12 1lnlC1 GLY 89 HA3 0.10 0.01 0.03 -0.51 4.01 3.63 1lnlC1 ILE 90 H 0.07 0.08 0.11 -0.55 8.25 7.96 1lnlC1 ILE 90 HA 0.06 0.06 0.32 -0.75 4.18 3.87 1lnlC1 ILE 90 HB 0.06 -0.08 0.09 -0.04 1.89 1.92 1lnlC1 ILE 90 HG12 0.16 0.04 -0.01 -0.04 1.49 1.64 1lnlC1 ILE 90 HG13 0.11 -0.03 0.09 -0.04 1.21 1.34 1lnlC1 ILE 90 HG23 0.10 0.00 -0.28 -0.04 0.93 0.71 1lnlC1 ILE 90 HD13 0.12 0.01 -0.23 -0.04 0.88 0.74 1lnlC1 PRO 91 HA -0.03 -0.09 0.40 -0.51 4.44 4.21 1lnlC1 PRO 91 HB2 -0.36 -0.08 -0.03 -0.04 2.28 1.77 1lnlC1 PRO 91 HB3 -0.27 0.02 0.03 -0.04 2.02 1.75 1lnlC1 PRO 91 HG2 -0.31 -0.02 0.00 -0.04 2.03 1.66 1lnlC1 PRO 91 HG3 -0.68 0.03 0.01 -0.04 2.03 1.35 1lnlC1 PRO 91 HD2 -0.03 0.05 0.13 -0.04 3.68 3.78 1lnlC1 PRO 91 HD3 -0.10 0.19 0.05 -0.04 3.65 3.75 1lnlC1 TYR 92 H -0.45 0.50 0.12 -0.55 8.29 7.91 1lnlC1 TYR 92 HA 0.04 0.42 1.11 -0.75 4.56 5.37 1lnlC1 TYR 92 HB2 -0.07 -0.06 -0.18 -0.04 3.06 2.71 1lnlC1 TYR 92 HB3 -0.06 0.18 -0.36 -0.04 2.98 2.70 1lnlC1 TYR 92 HD2 -0.01 0.02 -0.32 -0.04 7.15 6.80 1lnlC1 TYR 92 HE2 0.03 0.06 -0.04 -0.04 6.85 6.86 1lnlC1 TRP 93 H 0.31 0.62 0.20 -0.55 7.97 8.55 1lnlC1 TRP 93 HA 0.07 0.02 0.72 -0.75 4.62 4.68 1lnlC1 TRP 93 HB2 0.08 0.00 -0.02 -0.04 3.23 3.26 1lnlC1 TRP 93 HB3 0.05 0.12 0.13 -0.04 3.23 3.49 1lnlC1 TRP 93 HD1 0.18 -0.02 -0.23 -0.04 7.22 7.11 1lnlC1 TRP 93 HE1 0.23 0.08 -0.06 -0.04 10.20 10.41 1lnlC1 TRP 93 HE3 -0.20 0.03 -0.09 -0.04 7.59 7.29 1lnlC1 TRP 93 HZ2 0.28 0.06 0.00 -0.04 7.44 7.75 1lnlC1 TRP 93 HZ3 -0.15 -0.01 -0.08 -0.04 7.13 6.85 1lnlC1 TRP 93 HH2 0.19 0.06 -0.05 -0.04 7.19 7.35 1lnlC1 ASP 94 H 0.30 0.17 -0.02 -0.55 8.40 8.30 1lnlC1 ASP 94 HA -0.01 0.05 0.19 -0.75 4.63 4.10 1lnlC1 ASP 94 HB2 0.26 0.01 0.10 -0.04 2.71 3.04 1lnlC1 ASP 94 HB3 0.16 0.04 0.24 -0.04 2.70 3.10 1lnlC1 THR 95 H -0.42 0.42 0.43 -0.55 8.28 8.15 1lnlC1 THR 95 HA -0.17 0.15 0.54 -0.75 4.39 4.15 1lnlC1 THR 95 HB -0.34 0.04 0.17 -0.04 4.32 4.16 1lnlC1 THR 95 HG23 -0.63 0.01 0.21 -0.04 1.22 0.77 1lnlC1 VAL 96 H -0.01 0.01 -0.50 -0.55 8.24 7.19 1lnlC1 VAL 96 HA 0.19 -0.02 0.18 -0.75 4.13 3.73 1lnlC1 VAL 96 HB 0.06 -0.01 0.00 -0.04 2.12 2.14 1lnlC1 VAL 96 HG13 0.23 -0.00 -0.02 -0.04 0.97 1.14 1lnlC1 VAL 96 HG23 -0.07 -0.02 -0.02 -0.04 0.95 0.81 1lnlC1 VAL 97 H 0.13 0.47 -0.81 -0.55 8.24 7.48 1lnlC1 VAL 97 HA 0.14 0.15 0.71 -0.75 4.13 4.38 1lnlC1 VAL 97 HB 0.10 0.07 -0.35 -0.04 2.12 1.90 1lnlC1 VAL 97 HG13 0.08 0.01 0.05 -0.04 0.97 1.07 1lnlC1 VAL 97 HG23 0.10 0.03 -0.48 -0.04 0.95 0.56 1lnlC1 PRO 98 HA 0.12 -0.01 0.05 -0.51 4.44 4.10 1lnlC1 PRO 98 HB2 0.07 0.01 -0.01 -0.04 2.28 2.31 1lnlC1 PRO 98 HB3 0.08 0.19 -0.04 -0.04 2.02 2.21 1lnlC1 PRO 98 HG2 0.07 -0.03 0.11 -0.04 2.03 2.14 1lnlC1 PRO 98 HG3 0.06 0.09 0.01 -0.04 2.03 2.16 1lnlC1 PRO 98 HD2 0.08 0.05 0.14 -0.04 3.68 3.91 1lnlC1 PRO 98 HD3 0.09 0.14 0.12 -0.04 3.65 3.96 1lnlC1 GLN 99 H 0.15 0.41 0.38 -0.55 8.47 8.86 1lnlC1 GLN 99 HA 0.12 0.13 1.13 -0.75 4.36 4.98 1lnlC1 GLN 99 HB2 0.23 0.01 0.19 -0.04 2.15 2.54 1lnlC1 GLN 99 HB3 0.21 -0.06 0.07 -0.04 2.02 2.21 1lnlC1 GLN 99 HG2 0.21 0.12 -0.00 -0.04 2.40 2.69 1lnlC1 GLN 99 HG3 0.23 0.15 0.25 -0.04 2.39 2.99 1lnlC1 GLN 99 HE21 0.19 -0.09 -0.18 -0.04 6.97 6.85 1lnlC1 GLN 99 HE22 0.09 -0.03 0.12 -0.04 7.69 7.82 1lnlC1 GLU 100 H 0.07 0.15 -0.01 -0.55 8.60 8.26 1lnlC1 GLU 100 HA 0.05 0.04 0.36 -0.75 4.29 3.98 1lnlC1 GLU 100 HB2 0.04 -0.18 0.23 -0.04 2.09 2.13 1lnlC1 GLU 100 HB3 0.03 0.00 0.10 -0.04 1.99 2.07 1lnlC1 GLU 100 HG2 0.04 0.04 0.07 -0.04 2.34 2.45 1lnlC1 GLU 100 HG3 0.03 -0.02 0.07 -0.04 2.34 2.38 1lnlC1 ASP 101 H 0.04 -0.01 0.02 -0.55 8.40 7.90 1lnlC1 ASP 101 HA 0.01 0.03 0.43 -0.75 4.63 4.35 1lnlC1 ASP 101 HB2 0.01 -0.00 0.08 -0.04 2.71 2.76 1lnlC1 ASP 101 HB3 0.02 -0.05 0.08 -0.04 2.70 2.71 1lnlC1 LEU 102 H -0.03 0.05 0.12 -0.55 8.37 7.97 1lnlC1 LEU 102 HA 0.03 0.29 0.84 -0.75 4.35 4.75 1lnlC1 LEU 102 HB2 -0.02 0.01 0.08 -0.04 1.64 1.67 1lnlC1 LEU 102 HB3 -0.18 -0.05 0.01 -0.04 1.64 1.38 1lnlC1 LEU 102 HG 0.09 0.05 0.05 -0.04 1.64 1.78 1lnlC1 LEU 102 HD13 0.08 -0.00 0.00 -0.04 0.93 0.96 1lnlC1 LEU 102 HD23 -0.60 0.00 -0.15 -0.04 0.89 0.10 1lnlC1 PRO 103 HA -0.11 -0.04 0.31 -0.51 4.44 4.10 1lnlC1 PRO 103 HB2 -0.43 -0.01 0.06 -0.04 2.28 1.86 1lnlC1 PRO 103 HB3 -0.06 -0.01 0.01 -0.04 2.02 1.92 1lnlC1 PRO 103 HG2 -0.22 0.02 0.01 -0.04 2.03 1.80 1lnlC1 PRO 103 HG3 0.17 0.04 0.02 -0.04 2.03 2.23 1lnlC1 PRO 103 HD2 -0.21 0.10 0.13 -0.04 3.68 3.66 1lnlC1 PRO 103 HD3 0.16 0.29 0.19 -0.04 3.65 4.25 1lnlC1 ALA 104 H -0.11 0.14 0.19 -0.55 8.40 8.08 1lnlC1 ALA 104 HA -0.20 0.04 0.48 -0.75 4.34 3.90 1lnlC1 ALA 104 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 1lnlC1 PHE 105 H 0.00 0.04 -0.38 -0.55 8.34 7.45 1lnlC1 PHE 105 HA -0.14 0.06 0.32 -0.75 4.62 4.11 1lnlC1 PHE 105 HB2 -0.11 0.07 0.04 -0.04 3.15 3.11 1lnlC1 PHE 105 HB3 -0.05 -0.06 -0.03 -0.04 3.06 2.88 1lnlC1 PHE 105 HD2 -0.11 -0.01 -0.12 -0.04 7.28 7.00 1lnlC1 PHE 105 HE2 -0.71 -0.01 -0.05 -0.04 7.38 6.56 1lnlC1 PHE 105 HZ -1.26 -0.00 -0.06 -0.04 7.32 5.96 1lnlC1 PHE 106 H -0.39 0.20 -0.35 -0.55 8.34 7.25 1lnlC1 PHE 106 HA -0.14 0.51 1.14 -0.75 4.62 5.38 1lnlC1 PHE 106 HB2 0.01 0.09 0.13 -0.04 3.15 3.34 1lnlC1 PHE 106 HB3 0.13 -0.12 -0.18 -0.04 3.06 2.84 1lnlC1 PHE 106 HD2 -0.14 -0.03 -0.12 -0.04 7.28 6.95 1lnlC1 PHE 106 HE2 -1.00 -0.06 -0.06 -0.04 7.38 6.23 1lnlC1 PHE 106 HZ -2.32 -0.01 -0.04 -0.04 7.32 4.90 1lnlC1 ASN 107 H -0.38 -0.02 -0.10 -0.55 8.53 7.49 1lnlC1 ASN 107 HA -0.15 0.23 1.01 -0.75 4.76 5.10 1lnlC1 ASN 107 HB2 -0.53 0.05 -0.07 -0.04 2.88 2.30 1lnlC1 ASN 107 HB3 -0.25 -0.08 0.00 -0.04 2.79 2.43 1lnlC1 ASN 107 HD21 -0.07 -0.04 -0.06 -0.04 7.03 6.83 1lnlC1 ASN 107 HD22 -0.11 -0.03 -0.11 -0.04 7.74 7.45 1lnlC1 ASP 108 H -0.11 0.15 0.09 -0.55 8.40 7.98 1lnlC1 ASP 108 HA -0.03 -0.06 0.51 -0.75 4.63 4.30 1lnlC1 ASP 108 HB2 -0.04 0.12 0.09 -0.04 2.71 2.83 1lnlC1 ASP 108 HB3 0.04 0.18 0.09 -0.04 2.70 2.97 1lnlC1 GLU 109 H 0.01 0.04 0.21 -0.55 8.60 8.32 1lnlC1 GLU 109 HA 0.02 0.26 0.79 -0.75 4.29 4.61 1lnlC1 GLU 109 HB2 0.04 -0.01 0.14 -0.04 2.09 2.21 1lnlC1 GLU 109 HB3 0.02 0.12 0.05 -0.04 1.99 2.13 1lnlC1 GLU 109 HG2 0.01 -0.06 0.09 -0.04 2.34 2.34 1lnlC1 GLU 109 HG3 0.03 -0.03 -0.17 -0.04 2.34 2.12 1lnlC1 ILE 110 H 0.05 0.15 0.03 -0.55 8.25 7.94 1lnlC1 ILE 110 HA 0.12 0.23 0.58 -0.75 4.18 4.34 1lnlC1 ILE 110 HB 0.01 -0.05 -0.10 -0.04 1.89 1.71 1lnlC1 ILE 110 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.39 1lnlC1 ILE 110 HG13 0.02 -0.07 -0.14 -0.04 1.21 0.98 1lnlC1 ILE 110 HG23 -0.04 0.02 -0.15 -0.04 0.93 0.71 1lnlC1 ILE 110 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.79 1lnlC1 TRP 111 H 0.15 0.19 -0.01 -0.55 7.97 7.75 1lnlC1 TRP 111 HA -0.04 -0.01 0.52 -0.75 4.62 4.33 1lnlC1 TRP 111 HB2 -0.05 0.12 -0.11 -0.04 3.23 3.15 1lnlC1 TRP 111 HB3 -0.01 0.15 -0.41 -0.04 3.23 2.91 1lnlC1 TRP 111 HD1 0.01 -0.04 -0.14 -0.04 7.22 7.02 1lnlC1 TRP 111 HE1 -0.02 0.00 -0.11 -0.04 10.20 10.04 1lnlC1 TRP 111 HE3 -0.06 0.02 -0.05 -0.04 7.59 7.46 1lnlC1 TRP 111 HZ2 -0.09 -0.01 -0.02 -0.04 7.44 7.28 1lnlC1 TRP 111 HZ3 -0.05 -0.02 -0.07 -0.04 7.13 6.95 1lnlC1 TRP 111 HH2 -0.08 0.02 -0.03 -0.04 7.19 7.05 1lnlC1 ASP 112 H -0.18 0.19 0.06 -0.55 8.40 7.92 1lnlC1 ASP 112 HA -0.23 0.13 0.72 -0.75 4.63 4.50 1lnlC1 ASP 112 HB2 -0.17 0.02 0.25 -0.04 2.71 2.76 1lnlC1 ASP 112 HB3 -0.16 0.05 0.19 -0.04 2.70 2.73 1lnlC1 ASP 113 H -0.42 0.38 0.07 -0.55 8.40 7.88 1lnlC1 ASP 113 HA -0.64 0.03 0.36 -0.75 4.63 3.63 1lnlC1 ASP 113 HB2 -0.54 0.02 -0.09 -0.04 2.71 2.06 1lnlC1 ASP 113 HB3 -0.13 -0.10 -0.02 -0.04 2.70 2.42 1lnlC1 ALA 114 H -0.22 -0.06 -1.87 -0.55 8.40 5.71 1lnlC1 ALA 114 HA -0.02 0.26 0.58 -0.75 4.34 4.41 1lnlC1 ALA 114 HB3 -0.08 -0.01 0.09 -0.04 1.41 1.37 1lnlC1 LEU 115 H 0.12 0.73 -0.06 -0.55 8.37 8.60 1lnlC1 LEU 115 HA 0.04 0.02 0.43 -0.75 4.35 4.08 1lnlC1 LEU 115 HB2 0.28 -0.13 -0.11 -0.04 1.64 1.64 1lnlC1 LEU 115 HB3 0.20 -0.03 0.03 -0.04 1.64 1.80 1lnlC1 LEU 115 HG -0.01 0.31 -0.04 -0.04 1.64 1.87 1lnlC1 LEU 115 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.83 1lnlC1 LEU 115 HD23 0.02 -0.02 0.07 -0.04 0.89 0.92 1lnlC1 PHE 116 H 0.40 0.22 -0.05 -0.55 8.34 8.36 1lnlC1 PHE 116 HA 0.05 0.13 0.75 -0.75 4.62 4.81 1lnlC1 PHE 116 HB2 -0.03 0.11 0.12 -0.04 3.15 3.31 1lnlC1 PHE 116 HB3 0.00 -0.12 0.20 -0.04 3.06 3.10 1lnlC1 PHE 116 HD2 -0.03 -0.07 -0.04 -0.04 7.28 7.11 1lnlC1 PHE 116 HE2 -0.00 0.00 -0.03 -0.04 7.38 7.30 1lnlC1 PHE 116 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.24 1lnlC1 HIS 117 H 0.28 0.11 0.13 -0.55 8.41 8.39 1lnlC1 HIS 117 HA 0.04 0.14 0.79 -0.75 4.63 4.85 1lnlC1 HIS 117 HB2 0.07 -0.00 0.24 -0.04 3.26 3.53 1lnlC1 HIS 117 HB3 0.04 0.01 0.10 -0.04 3.20 3.31 1lnlC1 HIS 117 HD2 0.02 0.00 0.02 -0.04 6.97 6.97 1lnlC1 HIS 117 HE1 -0.04 0.02 -0.02 -0.04 7.75 7.67 1lnlC1 ALA 118 H 0.06 0.41 -0.15 -0.55 8.40 8.17 1lnlC1 ALA 118 HA 0.10 0.06 0.42 -0.75 4.34 4.16 1lnlC1 ALA 118 HB3 0.10 0.05 -0.03 -0.04 1.41 1.49 1lnlC1 ASN 119 H 0.12 0.20 -0.02 -0.55 8.53 8.28 1lnlC1 ASN 119 HA -0.09 0.13 0.75 -0.75 4.76 4.80 1lnlC1 ASN 119 HB2 -0.04 -0.05 -0.24 -0.04 2.88 2.51 1lnlC1 ASN 119 HB3 -0.13 0.02 0.21 -0.04 2.79 2.85 1lnlC1 ASN 119 HD21 -0.11 -0.00 0.02 -0.04 7.03 6.90 1lnlC1 ASN 119 HD22 -0.13 0.01 0.01 -0.04 7.74 7.58 1lnlC1 PHE 120 H 0.24 0.28 0.12 -0.55 8.34 8.42 1lnlC1 PHE 120 HA 0.06 0.09 0.34 -0.75 4.62 4.35 1lnlC1 PHE 120 HB2 0.06 -0.08 -0.16 -0.04 3.15 2.94 1lnlC1 PHE 120 HB3 0.06 -0.04 0.22 -0.04 3.06 3.26 1lnlC1 PHE 120 HD2 0.03 -0.04 0.06 -0.04 7.28 7.29 1lnlC1 PHE 120 HE2 0.01 -0.01 0.03 -0.04 7.38 7.37 1lnlC1 PHE 120 HZ 0.01 -0.02 0.03 -0.04 7.32 7.29 1lnlC1 THR 121 H 0.52 0.10 0.13 -0.55 8.28 8.48 1lnlC1 THR 121 HA 0.17 0.30 0.37 -0.75 4.39 4.47 1lnlC1 THR 121 HB 0.07 0.09 -0.09 -0.04 4.32 4.34 1lnlC1 THR 121 HG23 0.25 0.01 0.08 -0.04 1.22 1.52 1lnlC1 ASN 122 H 0.04 0.16 -0.36 -0.55 8.53 7.83 1lnlC1 ASN 122 HA -0.18 0.11 0.45 -0.75 4.76 4.38 1lnlC1 ASN 122 HB2 -0.07 -0.01 -0.22 -0.04 2.88 2.54 1lnlC1 ASN 122 HB3 -0.07 0.28 -0.05 -0.04 2.79 2.91 1lnlC1 ASN 122 HD21 -0.63 0.09 0.09 -0.04 7.03 6.55 1lnlC1 ASN 122 HD22 -0.26 -0.08 -0.05 -0.04 7.74 7.32 1lnlC1 PRO 123 HA -0.13 0.09 0.25 -0.51 4.44 4.14 1lnlC1 PRO 123 HB2 -0.25 -0.01 -0.05 -0.04 2.28 1.93 1lnlC1 PRO 123 HB3 -0.16 0.03 0.11 -0.04 2.02 1.96 1lnlC1 PRO 123 HG2 -0.13 0.08 0.17 -0.04 2.03 2.11 1lnlC1 PRO 123 HG3 -0.09 0.02 0.13 -0.04 2.03 2.04 1lnlC1 PRO 123 HD2 -0.27 -0.05 0.23 -0.04 3.68 3.55 1lnlC1 PRO 123 HD3 -0.06 0.76 0.41 -0.04 3.65 4.72 1lnlC1 PHE 124 H -0.08 0.08 -0.53 -0.55 8.34 7.26 1lnlC1 PHE 124 HA -0.09 0.03 0.49 -0.75 4.62 4.30 1lnlC1 PHE 124 HB2 -0.53 0.03 0.04 -0.04 3.15 2.64 1lnlC1 PHE 124 HB3 -0.20 -0.03 0.12 -0.04 3.06 2.91 1lnlC1 PHE 124 HD2 -0.05 -0.02 -0.09 -0.04 7.28 7.07 1lnlC1 PHE 124 HE2 0.07 0.16 0.01 -0.04 7.38 7.58 1lnlC1 PHE 124 HZ 0.12 -0.02 0.02 -0.04 7.32 7.39 1lnlC1 ASN 125 H -0.05 0.24 -0.52 -0.55 8.53 7.66 1lnlC1 ASN 125 HA 0.10 0.12 0.55 -0.75 4.76 4.78 1lnlC1 ASN 125 HB2 -0.00 0.03 -0.18 -0.04 2.88 2.69 1lnlC1 ASN 125 HB3 -0.00 -0.04 0.01 -0.04 2.79 2.71 1lnlC1 ASN 125 HD21 0.03 -0.11 0.09 -0.04 7.03 7.00 1lnlC1 ASN 125 HD22 0.08 0.47 0.27 -0.04 7.74 8.52 1lnlC1 GLY 126 H -0.04 0.39 0.28 -0.55 8.43 8.51 1lnlC1 GLY 126 HA2 0.04 -0.07 0.39 -0.51 4.01 3.86 1lnlC1 GLY 126 HA3 0.01 0.09 0.55 -0.51 4.01 4.15 1lnlC1 ALA 127 H 0.04 0.18 0.23 -0.55 8.40 8.31 1lnlC1 ALA 127 HA -0.07 0.19 0.71 -0.75 4.34 4.41 1lnlC1 ALA 127 HB3 0.06 0.02 0.08 -0.04 1.41 1.53 1lnlC1 ASP 128 H 0.03 0.25 0.18 -0.55 8.40 8.32 1lnlC1 ASP 128 HA -0.07 0.17 1.12 -0.75 4.63 5.09 1lnlC1 ASP 128 HB2 -0.06 -0.03 0.12 -0.04 2.71 2.69 1lnlC1 ASP 128 HB3 -0.17 0.11 -0.07 -0.04 2.70 2.52 1lnlC1 ILE 129 H -0.20 0.27 0.20 -0.55 8.25 7.96 1lnlC1 ILE 129 HA -0.10 0.02 0.68 -0.75 4.18 4.02 1lnlC1 ILE 129 HB -0.62 0.18 0.21 -0.04 1.89 1.62 1lnlC1 ILE 129 HG12 -0.54 -0.02 -0.05 -0.04 1.49 0.83 1lnlC1 ILE 129 HG13 -0.22 -0.04 -0.07 -0.04 1.21 0.84 1lnlC1 ILE 129 HG23 -1.23 -0.05 -0.10 -0.04 0.93 -0.49 1lnlC1 ILE 129 HD13 -0.32 0.07 -0.29 -0.04 0.88 0.30 1lnlC1 ASP 130 H 0.14 0.14 0.16 -0.55 8.40 8.29 1lnlC1 ASP 130 HA -0.20 0.09 0.27 -0.75 4.63 4.03 1lnlC1 ASP 130 HB2 0.21 0.04 0.21 -0.04 2.71 3.13 1lnlC1 ASP 130 HB3 0.18 -0.04 0.12 -0.04 2.70 2.92 1lnlC1 PHE 131 H 0.61 0.13 0.03 -0.55 8.34 8.55 1lnlC1 PHE 131 HA 0.02 0.04 0.25 -0.75 4.62 4.17 1lnlC1 PHE 131 HB2 0.03 0.01 0.04 -0.04 3.15 3.18 1lnlC1 PHE 131 HB3 0.05 0.06 0.14 -0.04 3.06 3.27 1lnlC1 PHE 131 HD2 0.06 -0.00 0.02 -0.04 7.28 7.31 1lnlC1 PHE 131 HE2 0.11 0.04 -0.04 -0.04 7.38 7.46 1lnlC1 PHE 131 HZ 0.17 0.08 -0.15 -0.04 7.32 7.37 1lnlC1 ASN 132 H -2.94 0.05 -0.19 -0.55 8.53 4.90 1lnlC1 ASN 132 HA -0.34 0.01 0.49 -0.75 4.76 4.17 1lnlC1 ASN 132 HB2 -1.58 -0.01 0.04 -0.04 2.88 1.29 1lnlC1 ASN 132 HB3 -0.64 -0.03 0.04 -0.04 2.79 2.11 1lnlC1 ASN 132 HD21 0.28 -0.01 -0.02 -0.04 7.03 7.24 1lnlC1 ASN 132 HD22 -0.05 -0.04 -0.04 -0.04 7.74 7.56 1lnlC1 HIS 133 H -0.11 0.17 0.25 -0.55 8.41 8.18 1lnlC1 HIS 133 HA -0.25 0.54 0.35 -0.75 4.63 4.51 1lnlC1 HIS 133 HB2 -0.11 0.10 0.23 -0.04 3.26 3.45 1lnlC1 HIS 133 HB3 -0.13 -0.15 0.28 -0.04 3.20 3.15 1lnlC1 HIS 133 HD2 -0.14 -0.03 -0.38 -0.04 6.97 6.37 1lnlC1 HIS 133 HE1 -0.04 -0.06 -0.02 -0.04 7.75 7.59 1lnlC1 GLN 134 H -0.47 0.65 0.50 -0.55 8.47 8.60 1lnlC1 GLN 134 HA -0.17 0.14 0.80 -0.75 4.36 4.37 1lnlC1 GLN 134 HB2 -1.04 -0.02 -0.02 -0.04 2.15 1.03 1lnlC1 GLN 134 HB3 -0.41 -0.09 0.17 -0.04 2.02 1.65 1lnlC1 GLN 134 HG2 -0.65 -0.07 -0.07 -0.04 2.40 1.57 1lnlC1 GLN 134 HG3 -0.32 0.13 -0.22 -0.04 2.39 1.94 1lnlC1 GLN 134 HE21 -0.27 -0.09 -0.21 -0.04 6.97 6.35 1lnlC1 GLN 134 HE22 -0.21 0.02 -0.18 -0.04 7.69 7.27 1lnlC1 LYS 135 H -0.20 0.15 0.16 -0.55 8.42 7.97 1lnlC1 LYS 135 HA -0.12 0.19 1.26 -0.75 4.32 4.89 1lnlC1 LYS 135 HB2 -0.03 -0.04 0.03 -0.04 1.87 1.78 1lnlC1 LYS 135 HB3 -0.03 0.16 0.06 -0.04 1.79 1.94 1lnlC1 LYS 135 HG2 -0.05 -0.07 -0.02 -0.04 1.46 1.29 1lnlC1 LYS 135 HG3 -0.02 0.00 -0.02 -0.04 1.46 1.38 1lnlC1 LYS 135 HD2 -0.03 0.04 -0.08 -0.04 1.69 1.58 1lnlC1 LYS 135 HD3 -0.08 0.09 -0.47 -0.04 1.68 1.18 1lnlC1 LYS 135 HE2 0.01 -0.03 -0.08 -0.04 2.99 2.84 1lnlC1 LYS 135 HE3 0.01 -0.02 -0.06 -0.04 2.99 2.88 1lnlC1 ILE 136 H -0.03 0.00 0.12 -0.55 8.25 7.80 1lnlC1 ILE 136 HA 0.07 0.25 0.52 -0.75 4.18 4.26 1lnlC1 ILE 136 HB 0.10 -0.06 0.09 -0.04 1.89 1.97 1lnlC1 ILE 136 HG12 0.24 -0.00 -0.18 -0.04 1.49 1.50 1lnlC1 ILE 136 HG13 0.09 0.01 -0.13 -0.04 1.21 1.13 1lnlC1 ILE 136 HG23 0.15 -0.02 -0.20 -0.04 0.93 0.81 1lnlC1 ILE 136 HD13 0.08 0.01 -0.16 -0.04 0.88 0.76 1lnlC1 ALA 137 H 0.09 0.42 0.21 -0.55 8.40 8.57 1lnlC1 ALA 137 HA 0.07 0.14 0.82 -0.75 4.34 4.61 1lnlC1 ALA 137 HB3 0.05 -0.00 0.06 -0.04 1.41 1.48 1lnlC1 ARG 138 H 0.10 0.16 0.07 -0.55 8.46 8.23 1lnlC1 ARG 138 HA 0.13 0.04 0.56 -0.75 4.34 4.31 1lnlC1 ARG 138 HB2 0.15 0.02 -0.20 -0.04 1.90 1.83 1lnlC1 ARG 138 HB3 0.14 -0.05 0.02 -0.04 1.80 1.87 1lnlC1 ARG 138 HG2 0.11 -0.05 -0.23 -0.04 1.67 1.46 1lnlC1 ARG 138 HG3 0.16 -0.00 -0.05 -0.04 1.67 1.74 1lnlC1 ARG 138 HD2 0.11 0.02 0.09 -0.04 3.22 3.39 1lnlC1 ARG 138 HD3 0.13 0.06 0.03 -0.04 3.22 3.40 1lnlC1 ASP 139 H 0.12 0.39 0.04 -0.55 8.40 8.41 1lnlC1 ASP 139 HA 0.08 0.11 0.73 -0.75 4.63 4.79 1lnlC1 ASP 139 HB2 0.10 0.08 -0.05 -0.04 2.71 2.80 1lnlC1 ASP 139 HB3 0.11 -0.01 -0.02 -0.04 2.70 2.74 1lnlC1 ILE 140 H 0.09 0.14 -0.08 -0.55 8.25 7.85 1lnlC1 ILE 140 HA 0.14 0.14 0.44 -0.75 4.18 4.15 1lnlC1 ILE 140 HB 0.08 -0.09 0.02 -0.04 1.89 1.85 1lnlC1 ILE 140 HG12 0.22 0.03 0.14 -0.04 1.49 1.84 1lnlC1 ILE 140 HG13 0.14 -0.06 0.05 -0.04 1.21 1.31 1lnlC1 ILE 140 HG23 0.10 0.01 -0.20 -0.04 0.93 0.81 1lnlC1 ILE 140 HD13 0.12 -0.00 0.01 -0.04 0.88 0.97 1lnlC1 ASN 141 H 0.05 -0.05 -0.64 -0.55 8.53 7.34 1lnlC1 ASN 141 HA 0.00 -0.04 0.24 -0.75 4.76 4.21 1lnlC1 ASN 141 HB2 0.02 -0.04 -0.06 -0.04 2.88 2.76 1lnlC1 ASN 141 HB3 0.01 0.12 -0.15 -0.04 2.79 2.73 1lnlC1 ASN 141 HD21 -0.03 -0.02 -0.04 -0.04 7.03 6.90 1lnlC1 ASN 141 HD22 -0.00 -0.00 -0.01 -0.04 7.74 7.68 1lnlC1 VAL 142 H -0.04 0.75 0.65 -0.55 8.24 9.05 1lnlC1 VAL 142 HA -0.15 -0.01 0.68 -0.75 4.13 3.89 1lnlC1 VAL 142 HB -0.25 0.16 0.28 -0.04 2.12 2.27 1lnlC1 VAL 142 HG13 -0.54 -0.03 -0.07 -0.04 0.97 0.29 1lnlC1 VAL 142 HG23 -0.22 -0.00 0.03 -0.04 0.95 0.72 1lnlC1 ASP 143 H -0.08 0.27 -0.00 -0.55 8.40 8.04 1lnlC1 ASP 143 HA 0.02 0.19 0.42 -0.75 4.63 4.51 1lnlC1 ASP 143 HB2 0.00 0.03 -0.05 -0.04 2.71 2.65 1lnlC1 ASP 143 HB3 -0.01 -0.00 0.09 -0.04 2.70 2.74 1lnlC1 LYS 144 H -0.23 0.11 -0.08 -0.55 8.42 7.67 1lnlC1 LYS 144 HA -0.11 0.30 1.01 -0.75 4.32 4.77 1lnlC1 LYS 144 HB2 -0.28 -0.01 0.23 -0.04 1.87 1.77 1lnlC1 LYS 144 HB3 -0.14 0.04 0.13 -0.04 1.79 1.78 1lnlC1 LYS 144 HG2 -0.21 -0.05 0.11 -0.04 1.46 1.27 1lnlC1 LYS 144 HG3 -0.16 0.04 0.04 -0.04 1.46 1.33 1lnlC1 LYS 144 HD2 -0.09 0.08 -0.09 -0.04 1.69 1.55 1lnlC1 LYS 144 HD3 -0.10 -0.15 -0.70 -0.04 1.68 0.70 1lnlC1 LYS 144 HE2 -0.09 0.01 -0.02 -0.04 2.99 2.85 1lnlC1 LYS 144 HE3 -0.07 0.05 -0.05 -0.04 2.99 2.88 1lnlC1 LEU 145 H -0.07 0.31 -0.85 -0.55 8.37 7.21 1lnlC1 LEU 145 HA -0.14 0.08 0.61 -0.75 4.35 4.15 1lnlC1 LEU 145 HB2 0.53 -0.01 0.14 -0.04 1.64 2.25 1lnlC1 LEU 145 HB3 0.06 0.05 -0.05 -0.04 1.64 1.66 1lnlC1 LEU 145 HG 0.28 0.03 -0.04 -0.04 1.64 1.87 1lnlC1 LEU 145 HD13 0.46 0.03 0.03 -0.04 0.93 1.41 1lnlC1 LEU 145 HD23 0.09 0.04 -0.16 -0.04 0.89 0.83 1lnlC1 ALA 146 H -0.03 0.04 -0.41 -0.55 8.40 7.46 1lnlC1 ALA 146 HA 0.08 -0.04 0.45 -0.75 4.34 4.09 1lnlC1 ALA 146 HB3 0.04 0.11 -0.04 -0.04 1.41 1.49 1lnlC1 LYS 147 H 0.03 0.04 -0.40 -0.55 8.42 7.54 1lnlC1 LYS 147 HA -0.01 0.21 0.48 -0.75 4.32 4.25 1lnlC1 LYS 147 HB2 -0.10 0.13 -0.09 -0.04 1.87 1.77 1lnlC1 LYS 147 HB3 0.01 -0.17 0.16 -0.04 1.79 1.75 1lnlC1 LYS 147 HG2 -0.01 0.04 0.08 -0.04 1.46 1.53 1lnlC1 LYS 147 HG3 -0.07 0.02 0.04 -0.04 1.46 1.41 1lnlC1 LYS 147 HD2 -0.13 0.12 0.11 -0.04 1.69 1.75 1lnlC1 LYS 147 HD3 0.00 -0.06 0.08 -0.04 1.68 1.66 1lnlC1 LYS 147 HE2 -0.09 0.01 0.03 -0.04 2.99 2.89 1lnlC1 LYS 147 HE3 -0.15 -0.02 0.06 -0.04 2.99 2.84 1lnlC1 GLU 148 H 0.06 0.01 0.09 -0.55 8.60 8.20 1lnlC1 GLU 148 HA 0.03 0.09 0.03 -0.75 4.29 3.69 1lnlC1 GLU 148 HB2 0.12 -0.08 0.13 -0.04 2.09 2.22 1lnlC1 GLU 148 HB3 0.06 -0.20 0.24 -0.04 1.99 2.05 1lnlC1 GLU 148 HG2 0.04 0.06 0.06 -0.04 2.34 2.45 1lnlC1 GLU 148 HG3 0.06 -0.04 0.12 -0.04 2.34 2.44 1lnlC1 GLY 149 H 0.03 0.08 0.10 -0.55 8.43 8.09 1lnlC1 GLY 149 HA2 -0.05 0.18 -0.10 -0.51 4.01 3.52 1lnlC1 GLY 149 HA3 -0.01 0.59 0.77 -0.51 4.01 4.84 1lnlC1 PRO 150 HA 0.00 0.09 0.27 -0.51 4.44 4.29 1lnlC1 PRO 150 HB2 -0.01 0.08 0.00 -0.04 2.28 2.32 1lnlC1 PRO 150 HB3 0.00 0.03 0.15 -0.04 2.02 2.16 1lnlC1 PRO 150 HG2 -0.07 -0.04 0.08 -0.04 2.03 1.97 1lnlC1 PRO 150 HG3 -0.02 0.08 0.10 -0.04 2.03 2.15 1lnlC1 PRO 150 HD2 -0.04 0.78 0.37 -0.04 3.68 4.75 1lnlC1 PRO 150 HD3 0.01 0.04 0.28 -0.04 3.65 3.93 1lnlC1 LYS 151 H -0.10 -0.05 -0.74 -0.55 8.42 6.98 1lnlC1 LYS 151 HA 0.01 0.24 0.80 -0.75 4.32 4.62 1lnlC1 LYS 151 HB2 -0.21 -0.10 -0.02 -0.04 1.87 1.50 1lnlC1 LYS 151 HB3 0.09 0.02 0.15 -0.04 1.79 2.01 1lnlC1 LYS 151 HG2 0.04 0.07 0.00 -0.04 1.46 1.53 1lnlC1 LYS 151 HG3 -0.01 -0.04 -0.24 -0.04 1.46 1.13 1lnlC1 LYS 151 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.60 1lnlC1 LYS 151 HD3 0.14 0.02 -0.01 -0.04 1.68 1.79 1lnlC1 LYS 151 HE2 0.07 0.03 -0.03 -0.04 2.99 3.02 1lnlC1 LYS 151 HE3 0.05 0.02 -0.03 -0.04 2.99 3.00 1lnlC1 GLY 152 H -0.03 1.52 0.03 -0.55 8.43 9.40 1lnlC1 GLY 152 HA2 0.02 0.10 0.39 -0.51 4.01 4.01 1lnlC1 GLY 152 HA3 0.07 0.16 0.90 -0.51 4.01 4.63 1lnlC1 TYR 153 H 0.33 0.27 0.04 -0.55 8.29 8.38 1lnlC1 TYR 153 HA -0.12 0.11 0.48 -0.75 4.56 4.28 1lnlC1 TYR 153 HB2 -0.47 0.03 0.11 -0.04 3.06 2.68 1lnlC1 TYR 153 HB3 -0.20 0.03 0.12 -0.04 2.98 2.90 1lnlC1 TYR 153 HD2 -0.85 0.05 -0.04 -0.04 7.15 6.26 1lnlC1 TYR 153 HE2 -0.05 0.03 -0.06 -0.04 6.85 6.73 1lnlC1 ASP 154 H -0.62 0.02 -0.74 -0.55 8.40 6.51 1lnlC1 ASP 154 HA -0.48 0.13 0.25 -0.75 4.63 3.78 1lnlC1 ASP 154 HB2 -0.38 -0.10 -0.09 -0.04 2.71 2.10 1lnlC1 ASP 154 HB3 -0.15 -0.09 0.21 -0.04 2.70 2.62 1lnlC1 THR 155 H 0.01 0.78 0.21 -0.55 8.28 8.73 1lnlC1 THR 155 HA 0.13 0.13 0.72 -0.75 4.39 4.61 1lnlC1 THR 155 HB 0.18 0.05 -0.19 -0.04 4.32 4.32 1lnlC1 THR 155 HG23 0.08 0.11 -0.12 -0.04 1.22 1.24 1lnlC1 TRP 156 H 0.43 0.17 0.07 -0.55 7.97 8.09 1lnlC1 TRP 156 HA 0.07 0.08 0.24 -0.75 4.62 4.26 1lnlC1 TRP 156 HB2 0.27 0.02 0.18 -0.04 3.23 3.66 1lnlC1 TRP 156 HB3 0.31 -0.07 0.18 -0.04 3.23 3.60 1lnlC1 TRP 156 HD1 -0.05 -0.02 0.06 -0.04 7.22 7.17 1lnlC1 TRP 156 HE1 -0.69 0.15 0.14 -0.04 10.20 9.77 1lnlC1 TRP 156 HE3 -0.03 -0.05 -0.15 -0.04 7.59 7.32 1lnlC1 TRP 156 HZ2 0.09 0.13 0.18 -0.04 7.44 7.80 1lnlC1 TRP 156 HZ3 -0.27 0.06 0.03 -0.04 7.13 6.90 1lnlC1 TRP 156 HH2 -0.05 0.04 -0.03 -0.04 7.19 7.11 1lnlC1 SER 157 H 0.59 0.17 -0.05 -0.55 8.46 8.62 1lnlC1 SER 157 HA 0.13 0.02 0.25 -0.75 4.49 4.15 1lnlC1 SER 157 HB2 0.35 0.07 -0.03 -0.04 3.95 4.30 1lnlC1 SER 157 HB3 0.43 -0.00 -0.00 -0.04 3.93 4.32 1lnlC1 PHE 158 H 0.34 0.24 -0.64 -0.55 8.34 7.73 1lnlC1 PHE 158 HA 0.15 0.02 0.33 -0.75 4.62 4.37 1lnlC1 PHE 158 HB2 0.12 0.03 0.17 -0.04 3.15 3.42 1lnlC1 PHE 158 HB3 0.05 0.03 0.18 -0.04 3.06 3.29 1lnlC1 PHE 158 HD2 0.10 -0.03 -0.08 -0.04 7.28 7.23 1lnlC1 PHE 158 HE2 0.16 0.05 -0.08 -0.04 7.38 7.47 1lnlC1 PHE 158 HZ -0.38 0.03 -0.05 -0.04 7.32 6.88 1lnlC1 LYS 159 H 0.14 0.56 0.02 -0.55 8.42 8.59 1lnlC1 LYS 159 HA -0.05 -0.00 0.31 -0.75 4.32 3.83 1lnlC1 LYS 159 HB2 -0.26 0.04 0.12 -0.04 1.87 1.73 1lnlC1 LYS 159 HB3 -0.26 -0.04 0.02 -0.04 1.79 1.47 1lnlC1 LYS 159 HG2 0.12 0.02 -0.06 -0.04 1.46 1.50 1lnlC1 LYS 159 HG3 -0.02 -0.04 -0.16 -0.04 1.46 1.20 1lnlC1 LYS 159 HD2 -0.10 -0.03 -0.03 -0.04 1.69 1.50 1lnlC1 LYS 159 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 1lnlC1 LYS 159 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 1lnlC1 LYS 159 HE3 0.05 -0.01 -0.07 -0.04 2.99 2.92 1lnlC1 GLN 160 H -0.39 0.64 -0.13 -0.55 8.47 8.04 1lnlC1 GLN 160 HA -0.45 0.00 0.27 -0.75 4.36 3.44 1lnlC1 GLN 160 HB2 -0.60 -0.04 0.13 -0.04 2.15 1.61 1lnlC1 GLN 160 HB3 -0.69 -0.01 -0.03 -0.04 2.02 1.24 1lnlC1 GLN 160 HG2 -1.45 0.04 0.02 -0.04 2.40 0.96 1lnlC1 GLN 160 HG3 -2.57 -0.05 -0.06 -0.04 2.39 -0.33 1lnlC1 GLN 160 HE21 -0.06 0.02 -0.01 -0.04 6.97 6.88 1lnlC1 GLN 160 HE22 -1.04 -0.02 -0.02 -0.04 7.69 6.57 1lnlC1 TYR 161 H -0.30 0.40 0.07 -0.55 8.29 7.91 1lnlC1 TYR 161 HA 0.04 -0.03 0.44 -0.75 4.56 4.26 1lnlC1 TYR 161 HB2 -0.03 0.12 0.17 -0.04 3.06 3.29 1lnlC1 TYR 161 HB3 0.05 -0.03 0.01 -0.04 2.98 2.96 1lnlC1 TYR 161 HD2 0.13 0.10 0.06 -0.04 7.15 7.39 1lnlC1 TYR 161 HE2 -0.01 -0.00 -0.01 -0.04 6.85 6.78 1lnlC1 ILE 162 H -0.15 0.90 -0.03 -0.55 8.25 8.43 1lnlC1 ILE 162 HA -0.06 -0.04 0.19 -0.75 4.18 3.51 1lnlC1 ILE 162 HB -0.28 0.19 0.09 -0.04 1.89 1.85 1lnlC1 ILE 162 HG12 -1.34 0.05 0.05 -0.04 1.49 0.22 1lnlC1 ILE 162 HG13 -1.40 -0.05 -0.07 -0.04 1.21 -0.35 1lnlC1 ILE 162 HG23 0.05 -0.02 -0.17 -0.04 0.93 0.75 1lnlC1 ILE 162 HD13 -0.19 -0.01 -0.03 -0.04 0.88 0.61 1lnlC1 TYR 163 H 0.05 0.58 -0.16 -0.55 8.29 8.21 1lnlC1 TYR 163 HA 0.02 -0.03 0.36 -0.75 4.56 4.16 1lnlC1 TYR 163 HB2 -0.06 -0.01 0.14 -0.04 3.06 3.09 1lnlC1 TYR 163 HB3 -0.09 0.14 0.16 -0.04 2.98 3.16 1lnlC1 TYR 163 HD2 0.04 0.04 -0.05 -0.04 7.15 7.15 1lnlC1 TYR 163 HE2 0.01 -0.01 -0.09 -0.04 6.85 6.72 1lnlC1 ALA 164 H 0.08 0.47 -0.14 -0.55 8.40 8.27 1lnlC1 ALA 164 HA 0.02 -0.10 0.21 -0.75 4.34 3.71 1lnlC1 ALA 164 HB3 0.18 0.01 0.15 -0.04 1.41 1.72 1lnlC1 LEU 165 H 0.15 0.73 -0.26 -0.55 8.37 8.44 1lnlC1 LEU 165 HA 0.28 -0.06 0.23 -0.75 4.35 4.04 1lnlC1 LEU 165 HB2 0.10 0.18 0.13 -0.04 1.64 2.00 1lnlC1 LEU 165 HB3 0.12 -0.07 -0.06 -0.04 1.64 1.59 1lnlC1 LEU 165 HG 0.23 -0.05 -0.09 -0.04 1.64 1.70 1lnlC1 LEU 165 HD13 0.07 -0.04 -0.20 -0.04 0.93 0.71 1lnlC1 LEU 165 HD23 0.12 -0.03 -0.13 -0.04 0.89 0.81 1lnlC1 GLU 166 H 0.02 0.61 -0.07 -0.55 8.60 8.61 1lnlC1 GLU 166 HA 0.05 -0.08 0.22 -0.75 4.29 3.71 1lnlC1 GLU 166 HB2 0.02 -0.09 0.09 -0.04 2.09 2.07 1lnlC1 GLU 166 HB3 -0.12 0.11 0.18 -0.04 1.99 2.11 1lnlC1 GLU 166 HG2 -0.14 -0.05 -0.25 -0.04 2.34 1.85 1lnlC1 GLU 166 HG3 -0.01 -0.05 0.06 -0.04 2.34 2.30 1lnlC1 GLN 167 H 0.04 0.50 -0.70 -0.55 8.47 7.77 1lnlC1 GLN 167 HA -0.04 -0.08 0.21 -0.75 4.36 3.71 1lnlC1 GLN 167 HB2 0.10 0.17 0.01 -0.04 2.15 2.39 1lnlC1 GLN 167 HB3 0.02 -0.22 -0.10 -0.04 2.02 1.67 1lnlC1 GLN 167 HG2 -0.35 0.23 -0.12 -0.04 2.40 2.12 1lnlC1 GLN 167 HG3 -0.17 -0.00 -0.32 -0.04 2.39 1.86 1lnlC1 GLN 167 HE21 -0.39 -0.05 -0.13 -0.04 6.97 6.36 1lnlC1 GLN 167 HE22 -1.30 0.10 -0.16 -0.04 7.69 6.29 1lnlC1 GLU 168 H 0.08 -0.04 0.21 -0.55 8.60 8.31 1lnlC1 GLU 168 HA 0.26 0.30 0.90 -0.75 4.29 5.00 1lnlC1 GLU 168 HB2 0.09 -0.05 0.15 -0.04 2.09 2.24 1lnlC1 GLU 168 HB3 0.07 -0.06 0.03 -0.04 1.99 1.98 1lnlC1 GLU 168 HG2 0.27 -0.02 0.03 -0.04 2.34 2.58 1lnlC1 GLU 168 HG3 0.14 0.19 -0.16 -0.04 2.34 2.47 1lnlC1 ASP 169 H 0.10 0.03 0.10 -0.55 8.40 8.08 1lnlC1 ASP 169 HA 0.13 0.09 0.42 -0.75 4.63 4.52 1lnlC1 ASP 169 HB2 0.04 0.10 0.13 -0.04 2.71 2.95 1lnlC1 ASP 169 HB3 0.05 -0.08 0.19 -0.04 2.70 2.82 1lnlC1 TYR 170 H 0.40 0.20 0.23 -0.55 8.29 8.57 1lnlC1 TYR 170 HA 0.03 0.19 0.22 -0.75 4.56 4.25 1lnlC1 TYR 170 HB2 0.42 0.15 0.17 -0.04 3.06 3.76 1lnlC1 TYR 170 HB3 0.16 -0.16 0.17 -0.04 2.98 3.11 1lnlC1 TYR 170 HD2 -0.12 0.00 -0.06 -0.04 7.15 6.93 1lnlC1 TYR 170 HE2 0.08 0.01 -0.09 -0.04 6.85 6.81 1lnlC1 CYS 171 H 0.16 0.06 -0.22 -0.55 8.50 7.94 1lnlC1 CYS 171 HA -0.32 0.08 0.38 -0.75 4.58 3.96 1lnlC1 CYS 171 HB2 0.03 0.02 0.01 -0.04 2.97 2.98 1lnlC1 CYS 171 HB3 -0.03 0.03 0.03 -0.04 2.97 2.96 1lnlC1 ASP 172 H -0.02 0.37 -0.27 -0.55 8.40 7.93 1lnlC1 ASP 172 HA -0.10 0.05 0.43 -0.75 4.63 4.26 1lnlC1 ASP 172 HB2 0.01 0.16 0.16 -0.04 2.71 2.99 1lnlC1 ASP 172 HB3 -0.05 0.04 -0.02 -0.04 2.70 2.62 1lnlC1 PHE 173 H -0.07 0.43 -0.30 -0.55 8.34 7.85 1lnlC1 PHE 173 HA -0.24 0.11 0.31 -0.75 4.62 4.05 1lnlC1 PHE 173 HB2 -0.32 0.17 -0.05 -0.04 3.15 2.92 1lnlC1 PHE 173 HB3 -0.66 0.11 0.05 -0.04 3.06 2.52 1lnlC1 PHE 173 HD2 -0.87 0.13 -0.07 -0.04 7.28 6.43 1lnlC1 PHE 173 HE2 -0.52 -0.05 -0.10 -0.04 7.38 6.67 1lnlC1 PHE 173 HZ -0.87 -0.06 -0.09 -0.04 7.32 6.25 1lnlC1 GLU 174 H -0.53 0.27 -0.31 -0.55 8.60 7.48 1lnlC1 GLU 174 HA -0.86 0.01 0.34 -0.75 4.29 3.02 1lnlC1 GLU 174 HB2 -0.78 0.05 0.08 -0.04 2.09 1.40 1lnlC1 GLU 174 HB3 -0.38 -0.01 0.13 -0.04 1.99 1.69 1lnlC1 GLU 174 HG2 -0.23 -0.04 0.04 -0.04 2.34 2.07 1lnlC1 GLU 174 HG3 -0.13 0.09 0.15 -0.04 2.34 2.41 1lnlC1 VAL 175 H -0.43 0.33 -0.05 -0.55 8.24 7.54 1lnlC1 VAL 175 HA -0.67 -0.02 0.21 -0.75 4.13 2.90 1lnlC1 VAL 175 HB -0.69 -0.01 -0.07 -0.04 2.12 1.31 1lnlC1 VAL 175 HG13 -1.42 0.01 -0.03 -0.04 0.97 -0.51 1lnlC1 VAL 175 HG23 -0.26 -0.07 0.03 -0.04 0.95 0.61 1lnlC1 GLN 176 H -0.24 0.28 -0.37 -0.55 8.47 7.59 1lnlC1 GLN 176 HA -0.06 -0.03 0.47 -0.75 4.36 4.00 1lnlC1 GLN 176 HB2 -0.10 0.14 0.19 -0.04 2.15 2.34 1lnlC1 GLN 176 HB3 0.06 -0.02 0.07 -0.04 2.02 2.09 1lnlC1 GLN 176 HG2 -0.02 -0.10 0.09 -0.04 2.40 2.33 1lnlC1 GLN 176 HG3 -0.01 0.14 0.03 -0.04 2.39 2.50 1lnlC1 GLN 176 HE21 0.16 0.40 0.15 -0.04 6.97 7.64 1lnlC1 GLN 176 HE22 0.20 -0.09 0.16 -0.04 7.69 7.92 1lnlC1 PHE 177 H -0.34 0.89 0.18 -0.55 8.34 8.51 1lnlC1 PHE 177 HA -0.23 -0.09 0.23 -0.75 4.62 3.77 1lnlC1 PHE 177 HB2 -0.83 0.01 0.09 -0.04 3.15 2.38 1lnlC1 PHE 177 HB3 -1.10 0.07 0.15 -0.04 3.06 2.14 1lnlC1 PHE 177 HD2 -0.05 -0.00 -0.06 -0.04 7.28 7.12 1lnlC1 PHE 177 HE2 -0.16 -0.00 -0.02 -0.04 7.38 7.16 1lnlC1 PHE 177 HZ -0.11 0.00 -0.14 -0.04 7.32 7.03 1lnlC1 GLU 178 H -0.22 0.71 -0.28 -0.55 8.60 8.26 1lnlC1 GLU 178 HA -0.24 -0.05 0.39 -0.75 4.29 3.63 1lnlC1 GLU 178 HB2 -0.04 -0.03 0.02 -0.04 2.09 2.00 1lnlC1 GLU 178 HB3 -0.18 0.14 0.05 -0.04 1.99 1.95 1lnlC1 GLU 178 HG2 -0.45 -0.00 -0.12 -0.04 2.34 1.72 1lnlC1 GLU 178 HG3 -0.91 -0.04 0.09 -0.04 2.34 1.43 1lnlC1 ILE 179 H -0.29 0.77 0.07 -0.55 8.25 8.26 1lnlC1 ILE 179 HA -0.19 -0.00 0.49 -0.75 4.18 3.72 1lnlC1 ILE 179 HB -0.39 0.09 0.22 -0.04 1.89 1.77 1lnlC1 ILE 179 HG12 -0.61 0.22 0.08 -0.04 1.49 1.13 1lnlC1 ILE 179 HG13 -1.26 -0.07 0.02 -0.04 1.21 -0.14 1lnlC1 ILE 179 HG23 -0.02 -0.00 0.05 -0.04 0.93 0.92 1lnlC1 ILE 179 HD13 -0.13 -0.03 -0.01 -0.04 0.88 0.68 1lnlC1 ALA 180 H -0.29 0.47 -0.13 -0.55 8.40 7.91 1lnlC1 ALA 180 HA 0.07 -0.05 0.27 -0.75 4.34 3.87 1lnlC1 ALA 180 HB3 -0.63 0.01 0.01 -0.04 1.41 0.76 1lnlC1 HIS 181 H -0.20 0.37 -0.40 -0.55 8.41 7.64 1lnlC1 HIS 181 HA -0.18 -0.06 0.40 -0.75 4.63 4.03 1lnlC1 HIS 181 HB2 -0.25 -0.03 0.13 -0.04 3.26 3.08 1lnlC1 HIS 181 HB3 -0.23 0.37 0.28 -0.04 3.20 3.58 1lnlC1 HIS 181 HD2 -0.34 -0.09 -0.15 -0.04 6.97 6.34 1lnlC1 HIS 181 HE1 0.63 0.04 -0.05 -0.04 7.75 8.33 1lnlC1 ASN 182 H -0.15 0.45 -0.02 -0.55 8.53 8.27 1lnlC1 ASN 182 HA -0.14 -0.10 0.03 -0.75 4.76 3.80 1lnlC1 ASN 182 HB2 -0.03 0.18 0.16 -0.04 2.88 3.15 1lnlC1 ASN 182 HB3 -0.08 -0.14 -0.06 -0.04 2.79 2.46 1lnlC1 ASN 182 HD21 -0.22 -0.10 0.16 -0.04 7.03 6.82 1lnlC1 ASN 182 HD22 -0.04 0.44 0.43 -0.04 7.74 8.53 1lnlC1 ALA 183 H -0.14 0.41 -0.43 -0.55 8.40 7.70 1lnlC1 ALA 183 HA -0.47 -0.05 0.14 -0.75 4.34 3.20 1lnlC1 ALA 183 HB3 -0.99 -0.00 0.12 -0.04 1.41 0.49 1lnlC1 ILE 184 H -0.56 0.36 0.15 -0.55 8.25 7.65 1lnlC1 ILE 184 HA -0.36 0.03 0.59 -0.75 4.18 3.68 1lnlC1 ILE 184 HB -1.11 0.11 0.13 -0.04 1.89 0.98 1lnlC1 ILE 184 HG12 -0.84 -0.00 0.06 -0.04 1.49 0.67 1lnlC1 ILE 184 HG13 -0.38 0.02 0.07 -0.04 1.21 0.88 1lnlC1 ILE 184 HG23 -0.80 0.00 -0.17 -0.04 0.93 -0.08 1lnlC1 ILE 184 HD13 -0.47 -0.02 0.05 -0.04 0.88 0.40 1lnlC1 HIS 185 H -0.36 0.35 -0.31 -0.55 8.41 7.54 1lnlC1 HIS 185 HA -0.09 -0.04 0.19 -0.75 4.63 3.93 1lnlC1 HIS 185 HB2 -0.19 0.15 0.12 -0.04 3.26 3.31 1lnlC1 HIS 185 HB3 -0.07 -0.01 0.01 -0.04 3.20 3.09 1lnlC1 HIS 185 HD2 -0.82 -0.05 -0.12 -0.04 6.97 5.94 1lnlC1 HIS 185 HE1 0.16 -0.04 -0.05 -0.04 7.75 7.78 1lnlC1 ALA 186 H -0.04 0.36 -0.56 -0.55 8.40 7.62 1lnlC1 ALA 186 HA 0.13 0.03 0.49 -0.75 4.34 4.24 1lnlC1 ALA 186 HB3 0.14 0.03 -0.02 -0.04 1.41 1.52 1lnlC1 TRP 187 H 0.24 0.81 0.26 -0.55 7.97 8.73 1lnlC1 TRP 187 HA -0.02 0.00 0.39 -0.75 4.62 4.23 1lnlC1 TRP 187 HB2 -0.06 -0.05 0.13 -0.04 3.23 3.21 1lnlC1 TRP 187 HB3 -0.00 0.00 0.17 -0.04 3.23 3.35 1lnlC1 TRP 187 HD1 -0.08 -0.11 0.04 -0.04 7.22 7.02 1lnlC1 TRP 187 HE1 -0.18 -0.04 -0.04 -0.04 10.20 9.90 1lnlC1 TRP 187 HE3 -0.05 0.03 0.01 -0.04 7.59 7.54 1lnlC1 TRP 187 HZ2 -0.77 -0.02 -0.02 -0.04 7.44 6.60 1lnlC1 TRP 187 HZ3 0.01 0.02 0.04 -0.04 7.13 7.15 1lnlC1 TRP 187 HH2 -0.12 -0.14 0.03 -0.04 7.19 6.91 1lnlC1 VAL 188 H 0.20 0.13 -0.89 -0.55 8.24 7.13 1lnlC1 VAL 188 HA 0.23 0.19 1.05 -0.75 4.13 4.85 1lnlC1 VAL 188 HB 0.19 -0.05 0.01 -0.04 2.12 2.23 1lnlC1 VAL 188 HG13 0.25 -0.03 -0.06 -0.04 0.97 1.09 1lnlC1 VAL 188 HG23 0.32 0.06 -0.23 -0.04 0.95 1.06 1lnlC1 GLY 189 H 0.16 0.37 0.14 -0.55 8.43 8.55 1lnlC1 GLY 189 HA2 0.15 -0.11 0.41 -0.51 4.01 3.95 1lnlC1 GLY 189 HA3 0.14 -0.14 0.39 -0.51 4.01 3.90 1lnlC1 GLY 190 H 0.15 0.37 -0.12 -0.55 8.43 8.28 1lnlC1 GLY 190 HA2 0.10 0.02 0.24 -0.51 4.01 3.86 1lnlC1 GLY 190 HA3 0.10 0.17 0.26 -0.51 4.01 4.03 1lnlC1 THR 191 H 0.11 0.11 0.17 -0.55 8.28 8.12 1lnlC1 THR 191 HA 0.26 0.35 0.50 -0.75 4.39 4.75 1lnlC1 THR 191 HB 0.05 -0.04 0.25 -0.04 4.32 4.54 1lnlC1 THR 191 HG23 -0.00 0.00 -0.02 -0.04 1.22 1.15 1lnlC1 GLU 192 H 0.22 0.59 -0.42 -0.55 8.60 8.46 1lnlC1 GLU 192 HA 0.32 0.16 1.03 -0.75 4.29 5.04 1lnlC1 GLU 192 HB2 0.15 -0.08 -0.02 -0.04 2.09 2.10 1lnlC1 GLU 192 HB3 0.15 0.08 -0.06 -0.04 1.99 2.12 1lnlC1 GLU 192 HG2 0.16 -0.04 -0.14 -0.04 2.34 2.27 1lnlC1 GLU 192 HG3 0.19 -0.14 0.13 -0.04 2.34 2.48 1lnlC1 GLU 193 H 0.23 0.08 0.07 -0.55 8.60 8.44 1lnlC1 GLU 193 HA -0.60 0.16 0.41 -0.75 4.29 3.51 1lnlC1 GLU 193 HB2 0.16 0.03 0.05 -0.04 2.09 2.29 1lnlC1 GLU 193 HB3 0.02 -0.06 0.19 -0.04 1.99 2.10 1lnlC1 GLU 193 HG2 -1.07 -0.01 -0.13 -0.04 2.34 1.09 1lnlC1 GLU 193 HG3 -0.50 -0.02 -0.08 -0.04 2.34 1.70 1lnlC1 TYR 194 H 0.16 0.09 0.03 -0.55 8.29 8.02 1lnlC1 TYR 194 HA 0.06 0.01 0.24 -0.75 4.56 4.12 1lnlC1 TYR 194 HB2 -0.16 0.07 0.10 -0.04 3.06 3.03 1lnlC1 TYR 194 HB3 -0.38 0.03 -0.06 -0.04 2.98 2.52 1lnlC1 TYR 194 HD2 -0.92 0.01 0.01 -0.04 7.15 6.21 1lnlC1 TYR 194 HE2 -0.37 0.00 -0.03 -0.04 6.85 6.41 1lnlC1 SER 195 H 0.18 0.24 0.26 -0.55 8.46 8.60 1lnlC1 SER 195 HA 0.18 0.09 0.38 -0.75 4.49 4.38 1lnlC1 SER 195 HB2 0.15 -0.27 0.14 -0.04 3.95 3.93 1lnlC1 SER 195 HB3 0.13 0.25 -0.39 -0.04 3.93 3.88 1lnlC1 MET 196 H 0.18 0.16 0.11 -0.55 8.47 8.38 1lnlC1 MET 196 HA 0.29 0.03 0.54 -0.75 4.52 4.62 1lnlC1 MET 196 HB2 0.19 -0.07 0.13 -0.04 2.15 2.35 1lnlC1 MET 196 HB3 0.22 0.10 0.09 -0.04 2.03 2.40 1lnlC1 MET 196 HG2 0.27 0.02 -0.02 -0.04 2.63 2.85 1lnlC1 MET 196 HG3 0.19 -0.00 -0.05 -0.04 2.56 2.67 1lnlC1 MET 196 HE3 0.00 -0.01 -0.17 -0.04 2.10 1.88 1lnlC1 GLY 197 H 0.13 0.03 -0.20 -0.55 8.43 7.85 1lnlC1 GLY 197 HA2 0.07 0.08 0.41 -0.51 4.01 4.06 1lnlC1 GLY 197 HA3 0.09 0.08 0.29 -0.51 4.01 3.95 1lnlC1 HIS 198 H 0.10 0.21 -0.69 -0.55 8.41 7.49 1lnlC1 HIS 198 HA -0.24 0.10 0.87 -0.75 4.63 4.60 1lnlC1 HIS 198 HB2 -0.43 0.22 -0.20 -0.04 3.26 2.81 1lnlC1 HIS 198 HB3 -0.14 0.01 0.02 -0.04 3.20 3.05 1lnlC1 HIS 198 HD2 -0.37 -0.01 -1.37 -0.04 6.97 5.17 1lnlC1 HIS 198 HE1 -0.23 0.00 0.02 -0.04 7.75 7.50 1lnlC1 LEU 199 H -0.30 0.24 0.04 -0.55 8.37 7.80 1lnlC1 LEU 199 HA 0.05 0.11 0.22 -0.75 4.35 3.98 1lnlC1 LEU 199 HB2 -0.25 -0.08 -0.06 -0.04 1.64 1.21 1lnlC1 LEU 199 HB3 -0.42 -0.13 -0.21 -0.04 1.64 0.84 1lnlC1 LEU 199 HG -0.14 0.05 -0.24 -0.04 1.64 1.27 1lnlC1 LEU 199 HD13 0.04 0.05 -0.11 -0.04 0.93 0.86 1lnlC1 LEU 199 HD23 -0.14 -0.02 -0.12 -0.04 0.89 0.57 1lnlC1 HIS 200 H 0.09 0.01 -0.32 -0.55 8.41 7.64 1lnlC1 HIS 200 HA -0.03 0.00 0.00 -0.75 4.63 3.85 1lnlC1 HIS 200 HB2 -1.42 0.00 0.01 -0.04 3.26 1.82 1lnlC1 HIS 200 HB3 -0.80 0.06 0.06 -0.04 3.20 2.47 1lnlC1 HIS 200 HD2 -0.03 0.12 -0.14 -0.04 6.97 6.88 1lnlC1 HIS 200 HE1 -0.01 0.01 0.21 -0.04 7.75 7.92 1lnlC1 TYR 201 H 0.14 1.16 -0.25 -0.55 8.29 8.78 1lnlC1 TYR 201 HA 0.37 0.22 1.09 -0.75 4.56 5.50 1lnlC1 TYR 201 HB2 -0.01 0.02 0.04 -0.04 3.06 3.06 1lnlC1 TYR 201 HB3 0.08 -0.04 -0.01 -0.04 2.98 2.97 1lnlC1 TYR 201 HD2 -0.25 0.19 -0.19 -0.04 7.15 6.85 1lnlC1 TYR 201 HE2 -0.50 0.00 -0.09 -0.04 6.85 6.22 1lnlC1 ALA 202 H 0.34 0.38 0.13 -0.55 8.40 8.70 1lnlC1 ALA 202 HA 0.35 -0.06 0.05 -0.75 4.34 3.92 1lnlC1 ALA 202 HB3 0.41 -0.02 0.11 -0.04 1.41 1.86 1lnlC1 SER 203 H 0.42 0.13 -0.14 -0.55 8.46 8.32 1lnlC1 SER 203 HA -0.44 -0.03 0.25 -0.75 4.49 3.52 1lnlC1 SER 203 HB2 -0.02 0.08 -0.08 -0.04 3.95 3.89 1lnlC1 SER 203 HB3 -0.03 0.02 0.05 -0.04 3.93 3.93 1lnlC1 TYR 204 H 0.55 0.17 -0.61 -0.55 8.29 7.86 1lnlC1 TYR 204 HA 0.14 -0.03 0.24 -0.75 4.56 4.16 1lnlC1 TYR 204 HB2 0.18 0.20 0.09 -0.04 3.06 3.48 1lnlC1 TYR 204 HB3 0.12 -0.13 -0.10 -0.04 2.98 2.83 1lnlC1 TYR 204 HD2 0.21 0.00 -0.04 -0.04 7.15 7.28 1lnlC1 TYR 204 HE2 0.30 0.08 0.08 -0.04 6.85 7.27 1lnlC1 ASP 205 H 0.30 0.40 -0.07 -0.55 8.40 8.48 1lnlC1 ASP 205 HA 0.17 0.03 0.30 -0.75 4.63 4.37 1lnlC1 ASP 205 HB2 0.20 -0.05 -0.01 -0.04 2.71 2.81 1lnlC1 ASP 205 HB3 0.24 -0.01 0.01 -0.04 2.70 2.90 1lnlC1 PRO 206 HA 0.02 0.15 0.70 -0.51 4.44 4.80 1lnlC1 PRO 206 HB2 0.03 0.03 -0.06 -0.04 2.28 2.23 1lnlC1 PRO 206 HB3 -0.25 0.02 0.09 -0.04 2.02 1.85 1lnlC1 PRO 206 HG2 -0.07 0.02 0.12 -0.04 2.03 2.06 1lnlC1 PRO 206 HG3 -0.11 0.14 0.01 -0.04 2.03 2.03 1lnlC1 PRO 206 HD2 0.07 0.06 0.05 -0.04 3.68 3.82 1lnlC1 PRO 206 HD3 0.09 0.17 0.07 -0.04 3.65 3.94 1lnlC1 VAL 207 H 0.06 0.17 -0.17 -0.55 8.24 7.74 1lnlC1 VAL 207 HA -0.01 0.06 0.10 -0.75 4.13 3.53 1lnlC1 VAL 207 HB -0.17 -0.04 -0.01 -0.04 2.12 1.85 1lnlC1 VAL 207 HG13 -0.61 0.02 -0.04 -0.04 0.97 0.30 1lnlC1 VAL 207 HG23 0.10 -0.00 -0.19 -0.04 0.95 0.81 1lnlC1 PHE 208 H 0.26 0.33 -0.96 -0.55 8.34 7.42 1lnlC1 PHE 208 HA 0.26 -0.06 0.15 -0.75 4.62 4.22 1lnlC1 PHE 208 HB2 0.14 0.10 -0.18 -0.04 3.15 3.17 1lnlC1 PHE 208 HB3 -0.05 0.12 0.02 -0.04 3.06 3.11 1lnlC1 PHE 208 HD2 0.11 -0.03 -0.55 -0.04 7.28 6.77 1lnlC1 PHE 208 HE2 -0.18 -0.02 -0.09 -0.04 7.38 7.04 1lnlC1 PHE 208 HZ -0.35 0.03 -0.06 -0.04 7.32 6.90 1lnlC1 ILE 209 H 0.10 0.35 -0.10 -0.55 8.25 8.05 1lnlC1 ILE 209 HA 0.21 0.01 0.35 -0.75 4.18 3.99 1lnlC1 ILE 209 HB 0.09 -0.01 0.02 -0.04 1.89 1.95 1lnlC1 ILE 209 HG12 -0.90 0.00 0.06 -0.04 1.49 0.61 1lnlC1 ILE 209 HG13 -0.14 0.20 0.15 -0.04 1.21 1.39 1lnlC1 ILE 209 HG23 -0.12 0.00 -0.03 -0.04 0.93 0.74 1lnlC1 ILE 209 HD13 -0.27 0.01 0.03 -0.04 0.88 0.60 1lnlC1 LEU 210 H 0.17 0.00 -0.30 -0.55 8.37 7.69 1lnlC1 LEU 210 HA 0.14 0.25 0.33 -0.75 4.35 4.32 1lnlC1 LEU 210 HB2 0.11 0.16 0.04 -0.04 1.64 1.90 1lnlC1 LEU 210 HB3 0.19 -0.16 0.02 -0.04 1.64 1.64 1lnlC1 LEU 210 HG 0.12 0.07 -0.04 -0.04 1.64 1.75 1lnlC1 LEU 210 HD13 0.33 -0.03 -0.13 -0.04 0.93 1.06 1lnlC1 LEU 210 HD23 0.16 -0.02 -0.12 -0.04 0.89 0.87 1lnlC1 HIS 211 H 0.21 0.69 -0.45 -0.55 8.41 8.31 1lnlC1 HIS 211 HA -0.05 0.08 0.82 -0.75 4.63 4.73 1lnlC1 HIS 211 HB2 -0.05 0.03 -0.01 -0.04 3.26 3.18 1lnlC1 HIS 211 HB3 -0.24 0.10 0.16 -0.04 3.20 3.18 1lnlC1 HIS 211 HD2 -0.93 0.03 -0.11 -0.04 6.97 5.91 1lnlC1 HIS 211 HE1 -0.31 -0.02 0.05 -0.04 7.75 7.43 1lnlC1 HIS 212 H 0.04 0.62 0.23 -0.55 8.41 8.75 1lnlC1 HIS 212 HA -0.35 -0.06 0.48 -0.75 4.63 3.96 1lnlC1 HIS 212 HB2 0.12 0.14 0.10 -0.04 3.26 3.58 1lnlC1 HIS 212 HB3 0.07 -0.01 0.09 -0.04 3.20 3.31 1lnlC1 HIS 212 HD2 -0.22 -0.02 -0.01 -0.04 6.97 6.66 1lnlC1 HIS 212 HE1 -0.79 -0.01 -0.05 -0.04 7.75 6.85 1lnlC1 SER 213 H 0.08 0.48 -0.73 -0.55 8.46 7.74 1lnlC1 SER 213 HA 0.09 0.02 0.11 -0.75 4.49 3.96 1lnlC1 SER 213 HB2 0.12 0.05 -0.14 -0.04 3.95 3.94 1lnlC1 SER 213 HB3 0.12 0.03 -0.10 -0.04 3.93 3.95 1lnlC1 ASN 214 H -0.13 0.88 -0.37 -0.55 8.53 8.36 1lnlC1 ASN 214 HA -0.34 0.12 0.83 -0.75 4.76 4.61 1lnlC1 ASN 214 HB2 0.05 -0.13 -0.06 -0.04 2.88 2.70 1lnlC1 ASN 214 HB3 -0.17 0.20 0.16 -0.04 2.79 2.94 1lnlC1 ASN 214 HD21 -0.17 -0.12 0.01 -0.04 7.03 6.70 1lnlC1 ASN 214 HD22 -0.20 0.12 0.01 -0.04 7.74 7.63 1lnlC1 THR 215 H -0.32 0.43 -0.05 -0.55 8.28 7.79 1lnlC1 THR 215 HA -0.19 0.05 0.35 -0.75 4.39 3.85 1lnlC1 THR 215 HB -0.27 0.00 0.04 -0.04 4.32 4.06 1lnlC1 THR 215 HG23 -0.88 0.08 -0.03 -0.04 1.22 0.34 1lnlC1 ASP 216 H -0.03 0.89 -0.10 -0.55 8.40 8.61 1lnlC1 ASP 216 HA 0.20 0.03 0.47 -0.75 4.63 4.57 1lnlC1 ASP 216 HB2 0.14 0.06 0.03 -0.04 2.71 2.90 1lnlC1 ASP 216 HB3 0.15 0.09 -0.06 -0.04 2.70 2.83 1lnlC1 ARG 217 H -0.22 0.12 -0.89 -0.55 8.46 6.92 1lnlC1 ARG 217 HA -0.54 0.04 0.58 -0.75 4.34 3.67 1lnlC1 ARG 217 HB2 -0.75 0.30 0.26 -0.04 1.90 1.66 1lnlC1 ARG 217 HB3 -0.56 0.14 0.08 -0.04 1.80 1.42 1lnlC1 ARG 217 HG2 -1.80 -0.08 0.04 -0.04 1.67 -0.20 1lnlC1 ARG 217 HG3 -1.53 0.00 -0.00 -0.04 1.67 0.10 1lnlC1 ARG 217 HD2 -0.43 -0.03 -0.04 -0.04 3.22 2.67 1lnlC1 ARG 217 HD3 -0.68 -0.06 -0.00 -0.04 3.22 2.44 1lnlC1 LEU 218 H -0.11 0.34 -0.35 -0.55 8.37 7.70 1lnlC1 LEU 218 HA -0.09 0.01 0.30 -0.75 4.35 3.82 1lnlC1 LEU 218 HB2 0.06 0.13 0.20 -0.04 1.64 2.00 1lnlC1 LEU 218 HB3 0.15 -0.02 -0.04 -0.04 1.64 1.69 1lnlC1 LEU 218 HG -0.23 -0.03 -0.02 -0.04 1.64 1.32 1lnlC1 LEU 218 HD13 -0.53 0.03 -0.02 -0.04 0.93 0.37 1lnlC1 LEU 218 HD23 -0.56 -0.00 -0.00 -0.04 0.89 0.28 1lnlC1 PHE 219 H 0.16 0.25 -0.41 -0.55 8.34 7.78 1lnlC1 PHE 219 HA -0.18 0.05 0.19 -0.75 4.62 3.93 1lnlC1 PHE 219 HB2 -0.20 0.05 0.08 -0.04 3.15 3.03 1lnlC1 PHE 219 HB3 -0.06 0.08 0.13 -0.04 3.06 3.17 1lnlC1 PHE 219 HD2 -0.03 0.00 -0.00 -0.04 7.28 7.21 1lnlC1 PHE 219 HE2 0.01 0.02 -0.11 -0.04 7.38 7.26 1lnlC1 PHE 219 HZ -0.69 -0.02 -0.08 -0.04 7.32 6.48 1lnlC1 ALA 220 H -0.02 0.43 -0.20 -0.55 8.40 8.07 1lnlC1 ALA 220 HA -0.18 0.01 0.48 -0.75 4.34 3.90 1lnlC1 ALA 220 HB3 -0.01 0.08 0.13 -0.04 1.41 1.57 1lnlC1 LEU 221 H 0.01 0.52 -0.36 -0.55 8.37 8.00 1lnlC1 LEU 221 HA 0.01 -0.07 0.29 -0.75 4.35 3.83 1lnlC1 LEU 221 HB2 -0.03 0.01 0.04 -0.04 1.64 1.63 1lnlC1 LEU 221 HB3 0.03 0.27 0.08 -0.04 1.64 1.98 1lnlC1 LEU 221 HG 0.02 0.04 -0.17 -0.04 1.64 1.49 1lnlC1 LEU 221 HD13 -0.01 -0.06 -0.18 -0.04 0.93 0.64 1lnlC1 LEU 221 HD23 -0.01 -0.02 -0.24 -0.04 0.89 0.58 1lnlC1 TRP 222 H 0.18 0.48 -0.51 -0.55 7.97 7.57 1lnlC1 TRP 222 HA -0.14 0.03 0.40 -0.75 4.62 4.17 1lnlC1 TRP 222 HB2 -0.43 -0.03 0.04 -0.04 3.23 2.77 1lnlC1 TRP 222 HB3 -0.22 0.20 0.14 -0.04 3.23 3.31 1lnlC1 TRP 222 HD1 -0.45 0.09 0.08 -0.04 7.22 6.89 1lnlC1 TRP 222 HE1 -0.20 0.37 0.00 -0.04 10.20 10.33 1lnlC1 TRP 222 HE3 0.11 0.07 -0.15 -0.04 7.59 7.58 1lnlC1 TRP 222 HZ2 0.08 0.10 -0.17 -0.04 7.44 7.41 1lnlC1 TRP 222 HZ3 0.45 -0.01 -0.07 -0.04 7.13 7.46 1lnlC1 TRP 222 HH2 0.33 -0.10 0.01 -0.04 7.19 7.39 1lnlC1 GLN 223 H 0.07 0.42 0.06 -0.55 8.47 8.47 1lnlC1 GLN 223 HA -0.31 0.05 0.58 -0.75 4.36 3.92 1lnlC1 GLN 223 HB2 -0.01 0.02 0.31 -0.04 2.15 2.43 1lnlC1 GLN 223 HB3 -0.03 -0.06 0.15 -0.04 2.02 2.04 1lnlC1 GLN 223 HG2 0.16 0.06 0.09 -0.04 2.40 2.67 1lnlC1 GLN 223 HG3 -0.13 0.13 0.06 -0.04 2.39 2.42 1lnlC1 GLN 223 HE21 0.12 0.11 -0.17 -0.04 6.97 6.99 1lnlC1 GLN 223 HE22 0.07 0.05 -0.07 -0.04 7.69 7.71 1lnlC1 GLU 224 H -0.04 0.54 0.06 -0.55 8.60 8.60 1lnlC1 GLU 224 HA -0.07 -0.04 0.35 -0.75 4.29 3.78 1lnlC1 GLU 224 HB2 -0.01 0.02 0.12 -0.04 2.09 2.18 1lnlC1 GLU 224 HB3 -0.04 0.17 0.07 -0.04 1.99 2.15 1lnlC1 GLU 224 HG2 -0.03 -0.00 0.05 -0.04 2.34 2.32 1lnlC1 GLU 224 HG3 -0.05 -0.03 -0.01 -0.04 2.34 2.21 1lnlC1 LEU 225 H -0.13 0.41 -0.38 -0.55 8.37 7.73 1lnlC1 LEU 225 HA -0.03 -0.02 0.55 -0.75 4.35 4.09 1lnlC1 LEU 225 HB2 -0.05 0.05 0.14 -0.04 1.64 1.74 1lnlC1 LEU 225 HB3 -0.15 0.15 0.09 -0.04 1.64 1.69 1lnlC1 LEU 225 HG 0.02 0.08 -0.07 -0.04 1.64 1.63 1lnlC1 LEU 225 HD13 0.11 -0.04 0.13 -0.04 0.93 1.08 1lnlC1 LEU 225 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 1lnlC1 GLN 226 H -0.38 0.57 -0.17 -0.55 8.47 7.95 1lnlC1 GLN 226 HA -0.27 0.03 0.45 -0.75 4.36 3.82 1lnlC1 GLN 226 HB2 -0.54 0.28 0.41 -0.04 2.15 2.26 1lnlC1 GLN 226 HB3 -0.33 -0.14 -0.03 -0.04 2.02 1.48 1lnlC1 GLN 226 HG2 -1.58 0.22 0.15 -0.04 2.40 1.15 1lnlC1 GLN 226 HG3 -2.14 -0.11 0.05 -0.04 2.39 0.15 1lnlC1 GLN 226 HE21 0.04 -0.04 0.07 -0.04 6.97 7.00 1lnlC1 GLN 226 HE22 -0.23 -0.06 0.02 -0.04 7.69 7.37 1lnlC1 LYS 227 H -0.17 0.52 -0.01 -0.55 8.42 8.21 1lnlC1 LYS 227 HA -0.12 0.13 0.48 -0.75 4.32 4.06 1lnlC1 LYS 227 HB2 -0.09 -0.06 0.13 -0.04 1.87 1.80 1lnlC1 LYS 227 HB3 -0.07 0.17 0.19 -0.04 1.79 2.03 1lnlC1 LYS 227 HG2 -0.03 0.03 -0.13 -0.04 1.46 1.28 1lnlC1 LYS 227 HG3 -0.07 -0.03 0.02 -0.04 1.46 1.35 1lnlC1 LYS 227 HD2 -0.07 -0.04 0.02 -0.04 1.69 1.56 1lnlC1 LYS 227 HD3 -0.07 -0.02 0.02 -0.04 1.68 1.58 1lnlC1 LYS 227 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.91 1lnlC1 LYS 227 HE3 -0.06 -0.01 -0.01 -0.04 2.99 2.87 1lnlC1 PHE 228 H 0.02 0.37 -0.34 -0.55 8.34 7.85 1lnlC1 PHE 228 HA -0.14 -0.02 0.29 -0.75 4.62 3.99 1lnlC1 PHE 228 HB2 -0.11 -0.04 0.11 -0.04 3.15 3.07 1lnlC1 PHE 228 HB3 -0.15 0.16 0.11 -0.04 3.06 3.15 1lnlC1 PHE 228 HD2 -0.16 0.04 -0.03 -0.04 7.28 7.08 1lnlC1 PHE 228 HE2 -0.21 -0.03 0.02 -0.04 7.38 7.11 1lnlC1 PHE 228 HZ -0.08 -0.02 0.03 -0.04 7.32 7.20 1lnlC1 ARG 229 H -0.19 0.38 -0.49 -0.55 8.46 7.62 1lnlC1 ARG 229 HA -0.44 0.06 0.77 -0.75 4.34 3.97 1lnlC1 ARG 229 HB2 -0.33 0.14 0.24 -0.04 1.90 1.91 1lnlC1 ARG 229 HB3 -0.39 -0.10 0.07 -0.04 1.80 1.34 1lnlC1 ARG 229 HG2 -0.12 -0.08 0.00 -0.04 1.67 1.43 1lnlC1 ARG 229 HG3 -0.00 0.21 0.04 -0.04 1.67 1.88 1lnlC1 ARG 229 HD2 0.07 0.05 -0.03 -0.04 3.22 3.26 1lnlC1 ARG 229 HD3 0.05 -0.06 0.01 -0.04 3.22 3.18 1lnlC1 GLY 230 H -0.31 0.34 0.00 -0.55 8.43 7.91 1lnlC1 GLY 230 HA2 -0.20 -0.00 0.27 -0.51 4.01 3.56 1lnlC1 GLY 230 HA3 -0.27 0.14 0.95 -0.51 4.01 4.32 1lnlC1 HIS 231 H -0.21 0.37 0.11 -0.55 8.41 8.14 1lnlC1 HIS 231 HA -0.08 0.21 1.05 -0.75 4.63 5.05 1lnlC1 HIS 231 HB2 -0.17 -0.02 -0.13 -0.04 3.26 2.90 1lnlC1 HIS 231 HB3 -0.09 -0.03 -0.00 -0.04 3.20 3.03 1lnlC1 HIS 231 HD2 -0.06 0.11 -0.18 -0.04 6.97 6.80 1lnlC1 HIS 231 HE1 -0.03 -0.01 -0.04 -0.04 7.75 7.63 1lnlC1 ASP 232 H 0.02 0.13 0.17 -0.55 8.40 8.17 1lnlC1 ASP 232 HA -0.05 0.19 0.59 -0.75 4.63 4.61 1lnlC1 ASP 232 HB2 -0.04 0.08 0.10 -0.04 2.71 2.82 1lnlC1 ASP 232 HB3 -0.04 -0.02 0.23 -0.04 2.70 2.83 1lnlC1 PRO 233 HA -0.13 0.14 0.23 -0.51 4.44 4.17 1lnlC1 PRO 233 HB2 -0.04 -0.03 0.02 -0.04 2.28 2.19 1lnlC1 PRO 233 HB3 -0.10 0.07 0.10 -0.04 2.02 2.05 1lnlC1 PRO 233 HG2 -0.03 0.02 -0.22 -0.04 2.03 1.75 1lnlC1 PRO 233 HG3 -0.07 0.04 -0.01 -0.04 2.03 1.95 1lnlC1 PRO 233 HD2 -0.06 0.05 0.23 -0.04 3.68 3.85 1lnlC1 PRO 233 HD3 -0.08 0.22 0.28 -0.04 3.65 4.03 1lnlC1 ASN 234 H -0.04 0.08 -0.54 -0.55 8.53 7.48 1lnlC1 ASN 234 HA 0.14 0.31 1.20 -0.75 4.76 5.66 1lnlC1 ASN 234 HB2 -0.05 0.03 0.01 -0.04 2.88 2.82 1lnlC1 ASN 234 HB3 0.00 -0.04 0.24 -0.04 2.79 2.96 1lnlC1 ASN 234 HD21 -0.05 0.02 -0.06 -0.04 7.03 6.89 1lnlC1 ASN 234 HD22 -0.04 0.03 -0.05 -0.04 7.74 7.64 1lnlC1 GLU 235 H -0.06 0.63 -0.05 -0.55 8.60 8.57 1lnlC1 GLU 235 HA -0.17 0.12 0.65 -0.75 4.29 4.14 1lnlC1 GLU 235 HB2 -0.07 -0.06 0.11 -0.04 2.09 2.03 1lnlC1 GLU 235 HB3 -0.05 0.15 0.29 -0.04 1.99 2.34 1lnlC1 GLU 235 HG2 -0.06 -0.11 -0.43 -0.04 2.34 1.69 1lnlC1 GLU 235 HG3 -0.07 0.03 -0.09 -0.04 2.34 2.17 1lnlC1 VAL 236 H -0.31 0.29 0.15 -0.55 8.24 7.82 1lnlC1 VAL 236 HA -0.12 0.13 0.97 -0.75 4.13 4.36 1lnlC1 VAL 236 HB -0.80 0.08 -0.10 -0.04 2.12 1.27 1lnlC1 VAL 236 HG13 -0.47 0.04 0.10 -0.04 0.97 0.60 1lnlC1 VAL 236 HG23 -0.16 -0.07 -0.02 -0.04 0.95 0.66 1lnlC1 ASN 237 H 0.00 0.20 0.07 -0.55 8.53 8.25 1lnlC1 ASN 237 HA -0.03 0.31 1.10 -0.75 4.76 5.39 1lnlC1 ASN 237 HB2 0.00 -0.02 0.14 -0.04 2.88 2.96 1lnlC1 ASN 237 HB3 -0.01 0.02 0.22 -0.04 2.79 2.98 1lnlC1 ASN 237 HD21 -0.05 0.02 -0.15 -0.04 7.03 6.80 1lnlC1 ASN 237 HD22 -0.04 0.08 -0.15 -0.04 7.74 7.58 1lnlC1 CYS 238 H 0.03 0.21 -0.47 -0.55 8.50 7.72 1lnlC1 CYS 238 HA 0.05 0.20 0.95 -0.75 4.58 5.03 1lnlC1 CYS 238 HB2 0.11 0.04 -0.14 -0.04 2.97 2.94 1lnlC1 CYS 238 HB3 0.19 -0.03 0.08 -0.04 2.97 3.17 1lnlC1 ALA 239 H 0.05 0.22 0.19 -0.55 8.40 8.31 1lnlC1 ALA 239 HA 0.06 0.07 0.39 -0.75 4.34 4.12 1lnlC1 ALA 239 HB3 0.12 0.14 0.21 -0.04 1.41 1.83 1lnlC1 LEU 240 H 0.04 0.16 -0.08 -0.55 8.37 7.94 1lnlC1 LEU 240 HA 0.02 0.07 0.06 -0.75 4.35 3.74 1lnlC1 LEU 240 HB2 0.01 0.05 -0.02 -0.04 1.64 1.64 1lnlC1 LEU 240 HB3 0.00 0.07 0.12 -0.04 1.64 1.79 1lnlC1 LEU 240 HG 0.02 -0.20 -0.22 -0.04 1.64 1.20 1lnlC1 LEU 240 HD13 -0.00 0.03 -0.01 -0.04 0.93 0.91 1lnlC1 LEU 240 HD23 -0.02 -0.07 -0.10 -0.04 0.89 0.65 1lnlC1 GLU 241 H 0.05 0.05 -1.11 -0.55 8.60 7.04 1lnlC1 GLU 241 HA 0.03 0.22 0.81 -0.75 4.29 4.60 1lnlC1 GLU 241 HB2 0.04 0.08 -0.00 -0.04 2.09 2.17 1lnlC1 GLU 241 HB3 0.03 0.06 0.07 -0.04 1.99 2.11 1lnlC1 GLU 241 HG2 0.03 0.06 -0.04 -0.04 2.34 2.35 1lnlC1 GLU 241 HG3 0.04 -0.29 -0.21 -0.04 2.34 1.85 1lnlC1 MET 242 H 0.07 0.41 0.28 -0.55 8.47 8.68 1lnlC1 MET 242 HA 0.07 0.23 0.77 -0.75 4.52 4.84 1lnlC1 MET 242 HB2 0.11 0.02 0.16 -0.04 2.15 2.40 1lnlC1 MET 242 HB3 0.11 0.06 0.09 -0.04 2.03 2.25 1lnlC1 MET 242 HG2 0.07 0.08 -0.04 -0.04 2.63 2.70 1lnlC1 MET 242 HG3 0.08 -0.07 0.11 -0.04 2.56 2.64 1lnlC1 MET 242 HE3 0.08 0.05 0.02 -0.04 2.10 2.20 1lnlC1 MET 243 H 0.08 0.08 0.07 -0.55 8.47 8.14 1lnlC1 MET 243 HA 0.13 0.06 0.35 -0.75 4.52 4.31 1lnlC1 MET 243 HB2 0.03 -0.02 0.04 -0.04 2.15 2.16 1lnlC1 MET 243 HB3 0.04 -0.01 0.02 -0.04 2.03 2.04 1lnlC1 MET 243 HG2 0.09 0.06 0.03 -0.04 2.63 2.77 1lnlC1 MET 243 HG3 0.02 -0.01 -0.18 -0.04 2.56 2.35 1lnlC1 MET 243 HE3 0.27 -0.01 -0.12 -0.04 2.10 2.19 1lnlC1 ARG 244 H 0.04 0.05 -0.31 -0.55 8.46 7.69 1lnlC1 ARG 244 HA 0.04 0.01 0.29 -0.75 4.34 3.94 1lnlC1 ARG 244 HB2 0.04 0.03 -0.04 -0.04 1.90 1.89 1lnlC1 ARG 244 HB3 0.03 0.01 -0.00 -0.04 1.80 1.80 1lnlC1 ARG 244 HG2 0.01 -0.02 0.00 -0.04 1.67 1.63 1lnlC1 ARG 244 HG3 0.02 -0.08 0.02 -0.04 1.67 1.59 1lnlC1 ARG 244 HD2 0.02 0.00 0.04 -0.04 3.22 3.24 1lnlC1 ARG 244 HD3 0.01 -0.04 0.02 -0.04 3.22 3.17 1lnlC1 GLU 245 H 0.06 -0.03 -0.43 -0.55 8.60 7.66 1lnlC1 GLU 245 HA 0.06 -0.03 0.47 -0.75 4.29 4.03 1lnlC1 GLU 245 HB2 0.07 -0.03 0.24 -0.04 2.09 2.33 1lnlC1 GLU 245 HB3 0.08 0.01 -0.02 -0.04 1.99 2.01 1lnlC1 GLU 245 HG2 0.05 -0.01 0.04 -0.04 2.34 2.38 1lnlC1 GLU 245 HG3 0.05 -0.05 0.05 -0.04 2.34 2.35 1lnlC1 PRO 246 HA 0.10 0.04 -0.11 -0.51 4.44 3.95 1lnlC1 PRO 246 HB2 0.10 -0.04 -0.05 -0.04 2.28 2.25 1lnlC1 PRO 246 HB3 0.10 -0.06 0.05 -0.04 2.02 2.07 1lnlC1 PRO 246 HG2 0.07 -0.00 0.06 -0.04 2.03 2.12 1lnlC1 PRO 246 HG3 0.07 0.05 0.09 -0.04 2.03 2.20 1lnlC1 PRO 246 HD2 0.06 -0.00 0.21 -0.04 3.68 3.91 1lnlC1 PRO 246 HD3 0.06 0.34 0.32 -0.04 3.65 4.33 1lnlC1 LEU 247 H 0.12 0.05 -0.11 -0.55 8.37 7.89 1lnlC1 LEU 247 HA 0.22 0.03 0.61 -0.75 4.35 4.45 1lnlC1 LEU 247 HB2 0.11 0.77 -0.05 -0.04 1.64 2.43 1lnlC1 LEU 247 HB3 0.09 -0.10 0.16 -0.04 1.64 1.75 1lnlC1 LEU 247 HG 0.07 -0.08 0.01 -0.04 1.64 1.59 1lnlC1 LEU 247 HD13 0.40 0.03 0.21 -0.04 0.93 1.53 1lnlC1 LEU 247 HD23 0.16 0.00 -0.08 -0.04 0.89 0.93 1lnlC1 LYS 248 H 0.15 0.15 0.03 -0.55 8.42 8.19 1lnlC1 LYS 248 HA -0.10 -0.18 0.39 -0.75 4.32 3.68 1lnlC1 LYS 248 HB2 -0.12 0.05 -0.06 -0.04 1.87 1.70 1lnlC1 LYS 248 HB3 -0.20 0.08 0.07 -0.04 1.79 1.70 1lnlC1 LYS 248 HG2 0.12 -0.08 0.01 -0.04 1.46 1.47 1lnlC1 LYS 248 HG3 0.16 0.20 -0.05 -0.04 1.46 1.73 1lnlC1 LYS 248 HD2 0.40 0.01 -0.08 -0.04 1.69 1.98 1lnlC1 LYS 248 HD3 0.17 -0.11 -0.13 -0.04 1.68 1.57 1lnlC1 LYS 248 HE2 0.12 -0.01 -0.05 -0.04 2.99 3.00 1lnlC1 LYS 248 HE3 0.11 -0.05 -0.07 -0.04 2.99 2.94 1lnlC1 PRO 249 HA -1.52 0.02 0.36 -0.51 4.44 2.79 1lnlC1 PRO 249 HB2 -0.89 -0.01 -0.07 -0.04 2.28 1.27 1lnlC1 PRO 249 HB3 -1.66 0.15 0.07 -0.04 2.02 0.54 1lnlC1 PRO 249 HG2 -2.24 0.02 -0.08 -0.04 2.03 -0.31 1lnlC1 PRO 249 HG3 -1.82 0.17 -0.00 -0.04 2.03 0.34 1lnlC1 PRO 249 HD2 -0.86 0.08 0.34 -0.04 3.68 3.21 1lnlC1 PRO 249 HD3 -0.62 0.20 0.00 -0.04 3.65 3.19 1lnlC1 PHE 250 H -0.71 0.27 -0.28 -0.55 8.34 7.07 1lnlC1 PHE 250 HA -0.10 -0.03 0.23 -0.75 4.62 3.97 1lnlC1 PHE 250 HB2 -0.19 0.50 0.07 -0.04 3.15 3.50 1lnlC1 PHE 250 HB3 -0.11 0.04 -0.14 -0.04 3.06 2.81 1lnlC1 PHE 250 HD2 -0.39 -0.00 -0.13 -0.04 7.28 6.71 1lnlC1 PHE 250 HE2 -1.40 -0.01 -0.15 -0.04 7.38 5.78 1lnlC1 PHE 250 HZ -0.47 -0.09 -0.24 -0.04 7.32 6.47 1lnlC1 SER 251 H 0.07 -0.14 -0.87 -0.55 8.46 6.97 1lnlC1 SER 251 HA 0.13 0.22 0.58 -0.75 4.49 4.66 1lnlC1 SER 251 HB2 0.12 0.01 0.04 -0.04 3.95 4.08 1lnlC1 SER 251 HB3 0.13 -0.08 -0.12 -0.04 3.93 3.81 1lnlC1 PHE 252 H 0.26 0.84 0.00 -0.55 8.34 8.89 1lnlC1 PHE 252 HA -0.00 -0.02 0.29 -0.75 4.62 4.13 1lnlC1 PHE 252 HB2 -0.10 0.20 0.13 -0.04 3.15 3.34 1lnlC1 PHE 252 HB3 0.02 -0.02 -0.06 -0.04 3.06 2.96 1lnlC1 PHE 252 HD2 -0.18 -0.05 -0.03 -0.04 7.28 6.98 1lnlC1 PHE 252 HE2 -0.18 0.01 -0.13 -0.04 7.38 7.04 1lnlC1 PHE 252 HZ -0.11 0.12 -0.26 -0.04 7.32 7.03 1lnlC1 GLY 253 H 0.15 0.18 -0.40 -0.55 8.43 7.81 1lnlC1 GLY 253 HA2 0.09 0.16 0.33 -0.51 4.01 4.08 1lnlC1 GLY 253 HA3 0.08 0.02 0.48 -0.51 4.01 4.08 1lnlC1 ALA 254 H 0.05 0.10 0.16 -0.55 8.40 8.16 1lnlC1 ALA 254 HA 0.05 -0.07 0.56 -0.75 4.34 4.12 1lnlC1 ALA 254 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 1lnlC1 PRO 255 HA -0.01 0.00 0.28 -0.51 4.44 4.20 1lnlC1 PRO 255 HB2 -0.11 0.00 0.21 -0.04 2.28 2.34 1lnlC1 PRO 255 HB3 -0.07 0.00 0.09 -0.04 2.02 1.99 1lnlC1 PRO 255 HG2 -0.48 0.10 -0.30 -0.04 2.03 1.30 1lnlC1 PRO 255 HG3 -0.22 0.01 0.03 -0.04 2.03 1.81 1lnlC1 PRO 255 HD2 -0.10 0.15 0.23 -0.04 3.68 3.92 1lnlC1 PRO 255 HD3 -0.07 0.05 0.10 -0.04 3.65 3.69 1lnlC1 TYR 256 H 0.16 0.41 0.00 -0.55 8.29 8.31 1lnlC1 TYR 256 HA 0.07 0.20 0.99 -0.75 4.56 5.06 1lnlC1 TYR 256 HB2 0.13 0.06 -0.04 -0.04 3.06 3.16 1lnlC1 TYR 256 HB3 -0.00 0.03 -0.09 -0.04 2.98 2.88 1lnlC1 TYR 256 HD2 0.08 0.05 -0.03 -0.04 7.15 7.21 1lnlC1 TYR 256 HE2 0.03 -0.02 -0.02 -0.04 6.85 6.80 1lnlC1 ASN 257 H 0.17 0.67 0.00 -0.55 8.53 8.82 1lnlC1 ASN 257 HA 0.18 0.14 0.54 -0.75 4.76 4.86 1lnlC1 ASN 257 HB2 0.12 0.06 -0.15 -0.04 2.88 2.86 1lnlC1 ASN 257 HB3 0.11 0.05 0.03 -0.04 2.79 2.94 1lnlC1 ASN 257 HD21 0.12 -0.19 -0.05 -0.04 7.03 6.88 1lnlC1 ASN 257 HD22 0.12 0.04 0.05 -0.04 7.74 7.91 1lnlC1 LEU 258 H 0.07 0.21 -0.21 -0.55 8.37 7.89 1lnlC1 LEU 258 HA 0.04 0.09 0.37 -0.75 4.35 4.10 1lnlC1 LEU 258 HB2 0.02 0.04 0.03 -0.04 1.64 1.69 1lnlC1 LEU 258 HB3 0.02 0.00 0.10 -0.04 1.64 1.72 1lnlC1 LEU 258 HG 0.03 0.03 -0.18 -0.04 1.64 1.47 1lnlC1 LEU 258 HD13 0.00 -0.01 -0.01 -0.04 0.93 0.87 1lnlC1 LEU 258 HD23 0.02 0.01 -0.24 -0.04 0.89 0.64 1lnlC1 ASN 259 H 0.07 0.13 -0.94 -0.55 8.53 7.25 1lnlC1 ASN 259 HA 0.03 0.27 1.03 -0.75 4.76 5.33 1lnlC1 ASN 259 HB2 0.04 0.13 0.01 -0.04 2.88 3.02 1lnlC1 ASN 259 HB3 0.08 0.01 -0.04 -0.04 2.79 2.81 1lnlC1 ASN 259 HD21 0.06 -0.09 0.10 -0.04 7.03 7.06 1lnlC1 ASN 259 HD22 0.03 0.19 0.06 -0.04 7.74 7.98 1lnlC1 PRO 260 HA 0.03 0.22 0.77 -0.51 4.44 4.95 1lnlC1 PRO 260 HB2 0.01 0.04 0.01 -0.04 2.28 2.30 1lnlC1 PRO 260 HB3 0.02 0.07 0.03 -0.04 2.02 2.10 1lnlC1 PRO 260 HG2 0.04 -0.12 0.23 -0.04 2.03 2.14 1lnlC1 PRO 260 HG3 0.03 0.10 0.09 -0.04 2.03 2.20 1lnlC1 PRO 260 HD2 0.04 0.07 0.29 -0.04 3.68 4.04 1lnlC1 PRO 260 HD3 0.03 0.30 0.14 -0.04 3.65 4.07 1lnlC1 THR 261 H 0.05 0.17 0.13 -0.55 8.28 8.08 1lnlC1 THR 261 HA -0.03 0.11 0.40 -0.75 4.39 4.12 1lnlC1 THR 261 HB 0.17 -0.08 0.15 -0.04 4.32 4.52 1lnlC1 THR 261 HG23 0.55 0.04 -0.04 -0.04 1.22 1.73 1lnlC1 THR 262 H 0.05 0.06 -0.13 -0.55 8.28 7.72 1lnlC1 THR 262 HA -0.03 0.13 0.25 -0.75 4.39 3.98 1lnlC1 THR 262 HB -0.17 0.07 -0.09 -0.04 4.32 4.09 1lnlC1 THR 262 HG23 -0.13 -0.01 -0.01 -0.04 1.22 1.03 1lnlC1 LYS 263 H 0.06 -0.08 -0.70 -0.55 8.42 7.15 1lnlC1 LYS 263 HA 0.09 0.35 0.43 -0.75 4.32 4.44 1lnlC1 LYS 263 HB2 0.07 0.11 0.05 -0.04 1.87 2.06 1lnlC1 LYS 263 HB3 0.04 0.04 0.18 -0.04 1.79 2.00 1lnlC1 LYS 263 HG2 0.09 0.00 0.10 -0.04 1.46 1.61 1lnlC1 LYS 263 HG3 0.06 -0.05 0.12 -0.04 1.46 1.56 1lnlC1 LYS 263 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.58 1lnlC1 LYS 263 HD3 0.06 0.00 -0.10 -0.04 1.68 1.59 1lnlC1 LYS 263 HE2 0.06 0.20 -0.04 -0.04 2.99 3.17 1lnlC1 LYS 263 HE3 0.04 -0.09 0.02 -0.04 2.99 2.92 1lnlC1 GLU 264 H -0.03 0.70 -0.01 -0.55 8.60 8.72 1lnlC1 GLU 264 HA -0.01 -0.05 0.23 -0.75 4.29 3.71 1lnlC1 GLU 264 HB2 -0.10 -0.08 0.12 -0.04 2.09 1.99 1lnlC1 GLU 264 HB3 -0.33 0.10 0.15 -0.04 1.99 1.87 1lnlC1 GLU 264 HG2 -0.54 0.03 -0.14 -0.04 2.34 1.65 1lnlC1 GLU 264 HG3 -0.06 -0.06 0.10 -0.04 2.34 2.28 1lnlC1 HIS 265 H 0.08 0.41 -0.72 -0.55 8.41 7.64 1lnlC1 HIS 265 HA 0.07 0.10 0.92 -0.75 4.63 4.97 1lnlC1 HIS 265 HB2 0.43 0.00 0.03 -0.04 3.26 3.67 1lnlC1 HIS 265 HB3 0.34 0.01 0.12 -0.04 3.20 3.63 1lnlC1 HIS 265 HD2 0.02 0.18 -0.09 -0.04 6.97 7.04 1lnlC1 HIS 265 HE1 0.09 -0.03 0.01 -0.04 7.75 7.78 1lnlC1 SER 266 H 0.12 0.14 -0.23 -0.55 8.46 7.94 1lnlC1 SER 266 HA 0.04 0.17 0.54 -0.75 4.49 4.49 1lnlC1 SER 266 HB2 0.09 -0.08 0.02 -0.04 3.95 3.94 1lnlC1 SER 266 HB3 0.10 -0.30 -0.03 -0.04 3.93 3.66 1lnlC1 LYS 267 H 0.10 0.06 -0.06 -0.55 8.42 7.96 1lnlC1 LYS 267 HA 0.10 0.33 0.26 -0.75 4.32 4.24 1lnlC1 LYS 267 HB2 0.06 -0.14 0.08 -0.04 1.87 1.83 1lnlC1 LYS 267 HB3 0.06 0.06 0.03 -0.04 1.79 1.90 1lnlC1 LYS 267 HG2 0.05 -0.12 0.07 -0.04 1.46 1.43 1lnlC1 LYS 267 HG3 0.07 0.26 0.12 -0.04 1.46 1.86 1lnlC1 LYS 267 HD2 0.08 -0.18 0.07 -0.04 1.69 1.62 1lnlC1 LYS 267 HD3 0.07 0.02 0.07 -0.04 1.68 1.81 1lnlC1 LYS 267 HE2 0.05 -0.03 0.04 -0.04 2.99 3.01 1lnlC1 LYS 267 HE3 0.07 -0.03 0.04 -0.04 2.99 3.03 1lnlC1 PRO 268 HA 0.16 0.06 0.12 -0.51 4.44 4.27 1lnlC1 PRO 268 HB2 0.21 -0.16 0.07 -0.04 2.28 2.36 1lnlC1 PRO 268 HB3 0.23 -0.15 0.01 -0.04 2.02 2.07 1lnlC1 PRO 268 HG2 0.18 -0.03 0.12 -0.04 2.03 2.25 1lnlC1 PRO 268 HG3 0.18 -0.00 0.05 -0.04 2.03 2.21 1lnlC1 PRO 268 HD2 0.12 0.52 0.27 -0.04 3.68 4.56 1lnlC1 PRO 268 HD3 0.13 0.45 0.29 -0.04 3.65 4.48 1lnlC1 GLU 269 H 0.11 0.35 -0.37 -0.55 8.60 8.15 1lnlC1 GLU 269 HA -0.03 -0.09 0.25 -0.75 4.29 3.66 1lnlC1 GLU 269 HB2 0.03 0.00 -0.40 -0.04 2.09 1.68 1lnlC1 GLU 269 HB3 0.01 0.12 -0.20 -0.04 1.99 1.87 1lnlC1 GLU 269 HG2 -0.06 0.01 -0.08 -0.04 2.34 2.17 1lnlC1 GLU 269 HG3 -0.05 -0.09 -0.02 -0.04 2.34 2.14 1lnlC1 ASP 270 H 0.05 0.57 -1.12 -0.55 8.40 7.35 1lnlC1 ASP 270 HA -0.12 -0.01 0.93 -0.75 4.63 4.67 1lnlC1 ASP 270 HB2 -0.39 -0.03 0.09 -0.04 2.71 2.33 1lnlC1 ASP 270 HB3 -0.11 -0.06 -0.13 -0.04 2.70 2.36 1lnlC1 THR 271 H 0.27 -0.16 0.08 -0.55 8.28 7.91 1lnlC1 THR 271 HA -0.01 0.11 0.38 -0.75 4.39 4.11 1lnlC1 THR 271 HB 0.16 0.17 -0.36 -0.04 4.32 4.25 1lnlC1 THR 271 HG23 0.16 0.01 -0.14 -0.04 1.22 1.21 1lnlC1 PHE 272 H 0.51 -0.08 0.09 -0.55 8.34 8.30 1lnlC1 PHE 272 HA 0.11 0.06 0.46 -0.75 4.62 4.49 1lnlC1 PHE 272 HB2 -0.01 0.03 0.26 -0.04 3.15 3.38 1lnlC1 PHE 272 HB3 0.03 0.10 0.15 -0.04 3.06 3.30 1lnlC1 PHE 272 HD2 0.12 0.07 -0.07 -0.04 7.28 7.36 1lnlC1 PHE 272 HE2 -0.04 -0.04 -0.20 -0.04 7.38 7.05 1lnlC1 PHE 272 HZ -0.42 -0.07 -0.12 -0.04 7.32 6.67 1lnlC1 ASP 273 H 0.11 0.12 -0.03 -0.55 8.40 8.05 1lnlC1 ASP 273 HA -0.03 0.03 0.38 -0.75 4.63 4.25 1lnlC1 ASP 273 HB2 -0.03 0.01 0.05 -0.04 2.71 2.71 1lnlC1 ASP 273 HB3 0.03 0.04 0.14 -0.04 2.70 2.86 1lnlC1 TYR 274 H 0.12 0.25 0.39 -0.55 8.29 8.51 1lnlC1 TYR 274 HA -0.03 0.09 0.02 -0.75 4.56 3.89 1lnlC1 TYR 274 HB2 -0.18 0.03 0.02 -0.04 3.06 2.88 1lnlC1 TYR 274 HB3 0.11 0.15 0.13 -0.04 2.98 3.32 1lnlC1 TYR 274 HD2 -0.74 0.27 0.14 -0.04 7.15 6.78 1lnlC1 TYR 274 HE2 -0.31 -0.05 0.13 -0.04 6.85 6.58 1lnlC1 LYS 275 H -1.32 -0.03 -0.03 -0.55 8.42 6.49 1lnlC1 LYS 275 HA -0.53 0.20 0.39 -0.75 4.32 3.62 1lnlC1 LYS 275 HB2 -0.43 0.03 0.02 -0.04 1.87 1.44 1lnlC1 LYS 275 HB3 -0.73 -0.01 0.15 -0.04 1.79 1.16 1lnlC1 LYS 275 HG2 -0.61 -0.06 0.00 -0.04 1.46 0.75 1lnlC1 LYS 275 HG3 -0.46 -0.17 -0.06 -0.04 1.46 0.74 1lnlC1 LYS 275 HD2 -0.31 0.05 -0.09 -0.04 1.69 1.30 1lnlC1 LYS 275 HD3 -0.31 -0.00 -0.02 -0.04 1.68 1.31 1lnlC1 LYS 275 HE2 -0.25 -0.04 -0.03 -0.04 2.99 2.62 1lnlC1 LYS 275 HE3 -0.24 0.02 -0.05 -0.04 2.99 2.67 1lnlC1 GLY 276 H -0.44 0.01 -0.34 -0.55 8.43 7.12 1lnlC1 GLY 276 HA2 -0.54 0.03 0.42 -0.51 4.01 3.40 1lnlC1 GLY 276 HA3 -0.52 -0.05 0.26 -0.51 4.01 3.20 1lnlC1 HIS 277 H -0.55 0.20 -0.04 -0.55 8.41 7.47 1lnlC1 HIS 277 HA -0.14 -0.01 0.27 -0.75 4.63 4.00 1lnlC1 HIS 277 HB2 -1.44 0.06 -0.05 -0.04 3.26 1.78 1lnlC1 HIS 277 HB3 -1.19 0.01 0.02 -0.04 3.20 2.00 1lnlC1 HIS 277 HD2 -0.25 0.02 -0.03 -0.04 6.97 6.66 1lnlC1 HIS 277 HE1 -0.19 -0.10 -0.02 -0.04 7.75 7.40 1lnlC1 PHE 278 H -0.31 0.91 -0.39 -0.55 8.34 8.01 1lnlC1 PHE 278 HA 0.25 0.07 0.89 -0.75 4.62 5.07 1lnlC1 PHE 278 HB2 0.36 -0.04 0.06 -0.04 3.15 3.49 1lnlC1 PHE 278 HB3 0.37 -0.10 -0.03 -0.04 3.06 3.26 1lnlC1 PHE 278 HD2 0.26 -0.01 -0.15 -0.04 7.28 7.34 1lnlC1 PHE 278 HE2 0.21 0.06 -0.14 -0.04 7.38 7.47 1lnlC1 PHE 278 HZ 0.05 0.18 -0.01 -0.04 7.32 7.50 1lnlC1 HIS 279 H 0.55 0.09 0.01 -0.55 8.41 8.52 1lnlC1 HIS 279 HA -0.04 0.28 0.66 -0.75 4.63 4.78 1lnlC1 HIS 279 HB2 0.08 -0.10 0.22 -0.04 3.26 3.42 1lnlC1 HIS 279 HB3 0.03 0.01 0.12 -0.04 3.20 3.32 1lnlC1 HIS 279 HD2 -0.02 -0.06 0.02 -0.04 6.97 6.87 1lnlC1 HIS 279 HE1 -0.05 -0.06 0.02 -0.04 7.75 7.62 1lnlC1 TYR 280 H -0.19 0.56 0.44 -0.55 8.29 8.55 1lnlC1 TYR 280 HA 0.07 -0.14 0.74 -0.75 4.56 4.49 1lnlC1 TYR 280 HB2 0.05 -0.03 0.04 -0.04 3.06 3.08 1lnlC1 TYR 280 HB3 0.11 0.03 -0.31 -0.04 2.98 2.77 1lnlC1 TYR 280 HD2 -0.01 -0.02 -0.36 -0.04 7.15 6.72 1lnlC1 TYR 280 HE2 -0.07 -0.01 -0.11 -0.04 6.85 6.62 1lnlC1 GLU 281 H 0.13 0.70 0.38 -0.55 8.60 9.27 1lnlC1 GLU 281 HA -0.17 0.09 0.47 -0.75 4.29 3.91 1lnlC1 GLU 281 HB2 -0.03 -0.07 0.18 -0.04 2.09 2.13 1lnlC1 GLU 281 HB3 -0.12 0.09 0.13 -0.04 1.99 2.04 1lnlC1 GLU 281 HG2 -0.01 -0.04 -0.32 -0.04 2.34 1.94 1lnlC1 GLU 281 HG3 0.03 -0.00 -0.23 -0.04 2.34 2.09 1lnlC1 TYR 282 H -0.05 0.12 0.15 -0.55 8.29 7.96 1lnlC1 TYR 282 HA 0.18 0.34 1.25 -0.75 4.56 5.58 1lnlC1 TYR 282 HB2 0.04 -0.06 0.03 -0.04 3.06 3.04 1lnlC1 TYR 282 HB3 0.08 -0.04 0.11 -0.04 2.98 3.09 1lnlC1 TYR 282 HD2 0.08 0.04 0.01 -0.04 7.15 7.24 1lnlC1 TYR 282 HE2 -0.03 0.09 -0.06 -0.04 6.85 6.82 1lnlC1 ASP 283 H 0.34 0.50 0.26 -0.55 8.40 8.95 1lnlC1 ASP 283 HA 0.12 0.14 0.66 -0.75 4.63 4.78 1lnlC1 ASP 283 HB2 0.39 0.02 0.06 -0.04 2.71 3.13 1lnlC1 ASP 283 HB3 0.22 0.05 0.09 -0.04 2.70 3.01 1lnlC1 HIS 284 H 0.29 0.07 -0.24 -0.55 8.41 7.99 1lnlC1 HIS 284 HA 0.06 0.19 0.64 -0.75 4.63 4.78 1lnlC1 HIS 284 HB2 0.09 -0.08 0.00 -0.04 3.26 3.24 1lnlC1 HIS 284 HB3 0.04 -0.03 -0.05 -0.04 3.20 3.12 1lnlC1 HIS 284 HD2 0.03 -0.06 -0.06 -0.04 6.97 6.84 1lnlC1 HIS 284 HE1 0.05 -0.01 -0.03 -0.04 7.75 7.71 1lnlC1 LEU 285 H 0.05 0.23 -0.07 -0.55 8.37 8.03 1lnlC1 LEU 285 HA 0.05 0.06 0.34 -0.75 4.35 4.04 1lnlC1 LEU 285 HB2 0.02 -0.02 0.23 -0.04 1.64 1.83 1lnlC1 LEU 285 HB3 0.03 0.04 0.10 -0.04 1.64 1.77 1lnlC1 LEU 285 HG 0.07 0.05 0.06 -0.04 1.64 1.78 1lnlC1 LEU 285 HD13 0.09 0.01 -0.02 -0.04 0.93 0.97 1lnlC1 LEU 285 HD23 0.25 -0.04 -0.03 -0.04 0.89 1.03 1lnlC1 GLU 286 H 0.01 0.69 0.52 -0.55 8.60 9.28 1lnlC1 GLU 286 HA 0.00 0.10 0.26 -0.75 4.29 3.90 1lnlC1 GLU 286 HB2 0.03 0.14 -0.08 -0.04 2.09 2.13 1lnlC1 GLU 286 HB3 0.03 0.01 0.00 -0.04 1.99 1.99 1lnlC1 GLU 286 HG2 0.15 -0.07 -0.42 -0.04 2.34 1.96 1lnlC1 GLU 286 HG3 0.08 0.07 -0.08 -0.04 2.34 2.37 1lnlC1 LEU 287 H 0.02 0.32 0.06 -0.55 8.37 8.22 1lnlC1 LEU 287 HA 0.01 0.11 0.91 -0.75 4.35 4.62 1lnlC1 LEU 287 HB2 0.01 0.01 -0.01 -0.04 1.64 1.61 1lnlC1 LEU 287 HB3 0.06 0.04 0.09 -0.04 1.64 1.79 1lnlC1 LEU 287 HG 0.15 0.01 -0.15 -0.04 1.64 1.61 1lnlC1 LEU 287 HD13 -0.04 -0.00 -0.02 -0.04 0.93 0.83 1lnlC1 LEU 287 HD23 0.09 0.01 -0.05 -0.04 0.89 0.90 1lnlC1 GLN 288 H 0.05 0.16 0.03 -0.55 8.47 8.16 1lnlC1 GLN 288 HA 0.05 0.02 0.32 -0.75 4.36 3.99 1lnlC1 GLN 288 HB2 0.14 0.06 0.01 -0.04 2.15 2.32 1lnlC1 GLN 288 HB3 0.15 0.14 0.00 -0.04 2.02 2.28 1lnlC1 GLN 288 HG2 0.01 -0.02 -0.00 -0.04 2.40 2.34 1lnlC1 GLN 288 HG3 0.02 0.04 0.06 -0.04 2.39 2.47 1lnlC1 GLN 288 HE21 -0.24 -0.01 -0.02 -0.04 6.97 6.67 1lnlC1 GLN 288 HE22 -0.07 -0.00 -0.06 -0.04 7.69 7.51 1lnlC1 GLY 289 H 0.02 0.06 -0.12 -0.55 8.43 7.85 1lnlC1 GLY 289 HA2 0.00 -0.01 0.14 -0.51 4.01 3.63 1lnlC1 GLY 289 HA3 -0.01 0.04 0.18 -0.51 4.01 3.71 1lnlC1 MET 290 H 0.01 0.07 -0.66 -0.55 8.47 7.34 1lnlC1 MET 290 HA -0.02 0.09 0.85 -0.75 4.52 4.68 1lnlC1 MET 290 HB2 0.03 0.10 0.11 -0.04 2.15 2.34 1lnlC1 MET 290 HB3 -0.01 -0.08 -0.07 -0.04 2.03 1.82 1lnlC1 MET 290 HG2 -0.08 0.03 -0.22 -0.04 2.63 2.32 1lnlC1 MET 290 HG3 -0.02 0.19 0.07 -0.04 2.56 2.75 1lnlC1 MET 290 HE3 -0.28 0.01 -0.07 -0.04 2.10 1.72 1lnlC1 ASN 291 H -0.01 0.21 0.07 -0.55 8.53 8.25 1lnlC1 ASN 291 HA -0.02 0.14 0.50 -0.75 4.76 4.63 1lnlC1 ASN 291 HB2 -0.02 0.14 0.12 -0.04 2.88 3.08 1lnlC1 ASN 291 HB3 -0.03 0.02 0.14 -0.04 2.79 2.88 1lnlC1 ASN 291 HD21 -0.09 0.11 0.02 -0.04 7.03 7.02 1lnlC1 ASN 291 HD22 -0.04 0.11 -0.03 -0.04 7.74 7.73 1lnlC1 VAL 292 H -0.09 0.25 0.22 -0.55 8.24 8.07 1lnlC1 VAL 292 HA -0.10 0.13 0.42 -0.75 4.13 3.83 1lnlC1 VAL 292 HB -0.31 -0.01 0.02 -0.04 2.12 1.78 1lnlC1 VAL 292 HG13 -0.17 0.04 -0.04 -0.04 0.97 0.76 1lnlC1 VAL 292 HG23 -0.08 0.04 0.15 -0.04 0.95 1.02 1lnlC1 GLN 293 H -0.23 0.04 -0.26 -0.55 8.47 7.48 1lnlC1 GLN 293 HA -0.54 0.22 0.79 -0.75 4.36 4.07 1lnlC1 GLN 293 HB2 -0.40 0.04 0.05 -0.04 2.15 1.80 1lnlC1 GLN 293 HB3 -0.12 -0.03 -0.02 -0.04 2.02 1.81 1lnlC1 GLN 293 HG2 0.07 -0.02 0.01 -0.04 2.40 2.42 1lnlC1 GLN 293 HG3 0.19 0.06 0.09 -0.04 2.39 2.68 1lnlC1 GLN 293 HE21 0.10 0.01 -0.00 -0.04 6.97 7.03 1lnlC1 GLN 293 HE22 0.19 0.02 0.01 -0.04 7.69 7.87 1lnlC1 ARG 294 H -0.07 -0.02 -0.54 -0.55 8.46 7.28 1lnlC1 ARG 294 HA 0.03 0.13 0.55 -0.75 4.34 4.30 1lnlC1 ARG 294 HB2 -0.02 -0.21 0.16 -0.04 1.90 1.78 1lnlC1 ARG 294 HB3 -0.01 0.05 -0.01 -0.04 1.80 1.79 1lnlC1 ARG 294 HG2 0.01 0.01 0.05 -0.04 1.67 1.70 1lnlC1 ARG 294 HG3 -0.01 -0.00 0.09 -0.04 1.67 1.70 1lnlC1 ARG 294 HD2 -0.02 0.04 -0.10 -0.04 3.22 3.10 1lnlC1 ARG 294 HD3 0.06 -0.01 0.06 -0.04 3.22 3.29 1lnlC1 LEU 295 H -0.00 0.70 -0.16 -0.55 8.37 8.36 1lnlC1 LEU 295 HA 0.08 0.06 0.34 -0.75 4.35 4.07 1lnlC1 LEU 295 HB2 0.01 0.06 0.14 -0.04 1.64 1.80 1lnlC1 LEU 295 HB3 0.05 0.03 -0.03 -0.04 1.64 1.66 1lnlC1 LEU 295 HG 0.01 0.16 -0.15 -0.04 1.64 1.61 1lnlC1 LEU 295 HD13 0.02 -0.09 -0.01 -0.04 0.93 0.81 1lnlC1 LEU 295 HD23 0.04 0.02 0.01 -0.04 0.89 0.92 1lnlC1 HIS 296 H 0.10 0.38 -0.16 -0.55 8.41 8.18 1lnlC1 HIS 296 HA 0.08 0.07 0.20 -0.75 4.63 4.24 1lnlC1 HIS 296 HB2 0.19 0.08 0.11 -0.04 3.26 3.60 1lnlC1 HIS 296 HB3 0.14 -0.02 0.16 -0.04 3.20 3.44 1lnlC1 HIS 296 HD2 0.17 -0.01 -0.10 -0.04 6.97 6.98 1lnlC1 HIS 296 HE1 0.00 0.01 -0.01 -0.04 7.75 7.71 1lnlC1 ASP 297 H 0.19 0.37 -0.30 -0.55 8.40 8.11 1lnlC1 ASP 297 HA -0.01 -0.00 0.27 -0.75 4.63 4.14 1lnlC1 ASP 297 HB2 0.13 0.45 0.21 -0.04 2.71 3.46 1lnlC1 ASP 297 HB3 0.10 0.04 -0.04 -0.04 2.70 2.76 1lnlC1 TYR 298 H 0.18 0.51 -0.63 -0.55 8.29 7.80 1lnlC1 TYR 298 HA 0.03 0.00 0.28 -0.75 4.56 4.13 1lnlC1 TYR 298 HB2 0.07 0.07 0.10 -0.04 3.06 3.26 1lnlC1 TYR 298 HB3 0.07 0.16 0.10 -0.04 2.98 3.28 1lnlC1 TYR 298 HD2 0.09 0.02 -0.10 -0.04 7.15 7.13 1lnlC1 TYR 298 HE2 0.27 -0.03 -0.06 -0.04 6.85 6.99 1lnlC1 ILE 299 H 0.05 0.53 -0.19 -0.55 8.25 8.09 1lnlC1 ILE 299 HA 0.01 0.05 0.48 -0.75 4.18 3.97 1lnlC1 ILE 299 HB -0.03 0.12 0.16 -0.04 1.89 2.09 1lnlC1 ILE 299 HG12 0.14 -0.08 -0.06 -0.04 1.49 1.45 1lnlC1 ILE 299 HG13 0.12 0.19 -0.07 -0.04 1.21 1.41 1lnlC1 ILE 299 HG23 0.01 -0.02 -0.07 -0.04 0.93 0.81 1lnlC1 ILE 299 HD13 0.07 -0.00 -0.11 -0.04 0.88 0.79 1lnlC1 ASN 300 H -0.18 0.53 -0.08 -0.55 8.53 8.25 1lnlC1 ASN 300 HA -0.08 0.01 0.31 -0.75 4.76 4.25 1lnlC1 ASN 300 HB2 -0.27 0.11 0.06 -0.04 2.88 2.75 1lnlC1 ASN 300 HB3 -0.08 0.00 -0.06 -0.04 2.79 2.61 1lnlC1 ASN 300 HD21 -0.06 -0.00 -0.01 -0.04 7.03 6.92 1lnlC1 ASN 300 HD22 -0.60 0.07 -0.01 -0.04 7.74 7.15 1lnlC1 GLN 301 H -0.11 0.29 -1.10 -0.55 8.47 6.99 1lnlC1 GLN 301 HA -0.05 0.13 0.85 -0.75 4.36 4.53 1lnlC1 GLN 301 HB2 -0.07 0.15 0.07 -0.04 2.15 2.26 1lnlC1 GLN 301 HB3 -0.18 0.05 -0.01 -0.04 2.02 1.84 1lnlC1 GLN 301 HG2 -0.03 -0.03 0.08 -0.04 2.40 2.38 1lnlC1 GLN 301 HG3 -0.01 -0.01 0.02 -0.04 2.39 2.35 1lnlC1 GLN 301 HE21 0.04 -0.04 -0.01 -0.04 6.97 6.92 1lnlC1 GLN 301 HE22 -0.02 0.00 -0.01 -0.04 7.69 7.62 1lnlC1 GLN 302 H -0.13 0.45 -0.06 -0.55 8.47 8.19 1lnlC1 GLN 302 HA -0.09 0.05 0.65 -0.75 4.36 4.21 1lnlC1 GLN 302 HB2 -0.04 0.39 0.35 -0.04 2.15 2.80 1lnlC1 GLN 302 HB3 -0.01 -0.11 0.08 -0.04 2.02 1.94 1lnlC1 GLN 302 HG2 -0.46 0.20 0.11 -0.04 2.40 2.21 1lnlC1 GLN 302 HG3 -0.16 -0.07 0.06 -0.04 2.39 2.18 1lnlC1 GLN 302 HE21 -0.07 -0.08 -0.03 -0.04 6.97 6.75 1lnlC1 GLN 302 HE22 -0.46 0.05 -0.09 -0.04 7.69 7.15 1lnlC1 LYS 303 H -0.04 0.19 -0.16 -0.55 8.42 7.86 1lnlC1 LYS 303 HA 0.02 0.10 0.39 -0.75 4.32 4.08 1lnlC1 LYS 303 HB2 -0.00 -0.04 0.06 -0.04 1.87 1.85 1lnlC1 LYS 303 HB3 -0.01 0.01 0.06 -0.04 1.79 1.81 1lnlC1 LYS 303 HG2 -0.03 -0.09 0.03 -0.04 1.46 1.33 1lnlC1 LYS 303 HG3 -0.03 0.30 -0.10 -0.04 1.46 1.58 1lnlC1 LYS 303 HD2 -0.01 0.02 -0.69 -0.04 1.69 0.96 1lnlC1 LYS 303 HD3 -0.01 -0.09 -0.24 -0.04 1.68 1.30 1lnlC1 LYS 303 HE2 -0.01 0.11 -0.00 -0.04 2.99 3.05 1lnlC1 LYS 303 HE3 -0.00 -0.08 -0.06 -0.04 2.99 2.81 1lnlC1 GLU 304 H -0.03 0.12 -0.84 -0.55 8.60 7.32 1lnlC1 GLU 304 HA -0.00 -0.03 0.33 -0.75 4.29 3.83 1lnlC1 GLU 304 HB2 -0.02 0.29 0.02 -0.04 2.09 2.34 1lnlC1 GLU 304 HB3 -0.00 -0.07 0.10 -0.04 1.99 1.98 1lnlC1 GLU 304 HG2 -0.00 -0.07 0.09 -0.04 2.34 2.32 1lnlC1 GLU 304 HG3 -0.02 0.14 0.14 -0.04 2.34 2.56 1lnlC1 ALA 305 H 0.01 0.30 -0.79 -0.55 8.40 7.37 1lnlC1 ALA 305 HA 0.02 -0.03 0.49 -0.75 4.34 4.06 1lnlC1 ALA 305 HB3 0.02 -0.01 -0.13 -0.04 1.41 1.25 1lnlC1 ASP 306 H 0.05 -0.12 0.08 -0.55 8.40 7.86 1lnlC1 ASP 306 HA -0.01 0.33 0.54 -0.75 4.63 4.74 1lnlC1 ASP 306 HB2 0.15 -0.08 0.07 -0.04 2.71 2.80 1lnlC1 ASP 306 HB3 0.32 -0.08 -0.02 -0.04 2.70 2.87 1lnlC1 ARG 307 H 0.06 0.73 0.43 -0.55 8.46 9.13 1lnlC1 ARG 307 HA 0.08 0.06 0.82 -0.75 4.34 4.56 1lnlC1 ARG 307 HB2 0.48 -0.08 0.07 -0.04 1.90 2.33 1lnlC1 ARG 307 HB3 0.03 -0.19 0.14 -0.04 1.80 1.74 1lnlC1 ARG 307 HG2 0.06 -0.06 -0.10 -0.04 1.67 1.53 1lnlC1 ARG 307 HG3 0.08 0.10 -0.72 -0.04 1.67 1.09 1lnlC1 ARG 307 HD2 0.07 0.19 0.10 -0.04 3.22 3.54 1lnlC1 ARG 307 HD3 0.12 -0.03 0.10 -0.04 3.22 3.36 1lnlC1 VAL 308 H -0.08 0.02 0.18 -0.55 8.24 7.82 1lnlC1 VAL 308 HA 0.36 0.23 1.00 -0.75 4.13 4.97 1lnlC1 VAL 308 HB 0.06 -0.14 -0.07 -0.04 2.12 1.93 1lnlC1 VAL 308 HG13 0.18 0.05 -0.15 -0.04 0.97 1.02 1lnlC1 VAL 308 HG23 0.19 -0.02 -0.40 -0.04 0.95 0.69 1lnlC1 PHE 309 H 0.46 0.39 -0.06 -0.55 8.34 8.57 1lnlC1 PHE 309 HA 0.03 0.24 0.83 -0.75 4.62 4.97 1lnlC1 PHE 309 HB2 -0.02 -0.02 -0.20 -0.04 3.15 2.87 1lnlC1 PHE 309 HB3 -0.08 -0.21 -0.18 -0.04 3.06 2.55 1lnlC1 PHE 309 HD2 -0.20 -0.11 -0.38 -0.04 7.28 6.55 1lnlC1 PHE 309 HE2 -0.57 0.07 -0.15 -0.04 7.38 6.69 1lnlC1 PHE 309 HZ -0.06 0.13 -0.08 -0.04 7.32 7.27 1lnlC1 ALA 310 H 0.18 0.46 0.16 -0.55 8.40 8.65 1lnlC1 ALA 310 HA 0.04 0.31 0.94 -0.75 4.34 4.87 1lnlC1 ALA 310 HB3 -0.03 0.01 -0.02 -0.04 1.41 1.34 1lnlC1 GLY 311 H -0.12 0.37 0.11 -0.55 8.43 8.24 1lnlC1 GLY 311 HA2 0.07 0.21 0.62 -0.51 4.01 4.40 1lnlC1 GLY 311 HA3 -0.02 -0.09 0.19 -0.51 4.01 3.58 1lnlC1 PHE 312 H 0.29 0.48 0.23 -0.55 8.34 8.78 1lnlC1 PHE 312 HA 0.04 0.35 1.28 -0.75 4.62 5.53 1lnlC1 PHE 312 HB2 0.12 0.04 0.15 -0.04 3.15 3.42 1lnlC1 PHE 312 HB3 0.24 -0.02 -0.04 -0.04 3.06 3.20 1lnlC1 PHE 312 HD2 0.16 0.09 -0.26 -0.04 7.28 7.23 1lnlC1 PHE 312 HE2 -0.26 -0.01 -0.20 -0.04 7.38 6.86 1lnlC1 PHE 312 HZ -1.02 -0.03 -0.20 -0.04 7.32 6.03 1lnlC1 LEU 313 H -0.04 0.32 -0.00 -0.55 8.37 8.10 1lnlC1 LEU 313 HA 0.11 0.15 0.79 -0.75 4.35 4.64 1lnlC1 LEU 313 HB2 -0.08 0.01 0.04 -0.04 1.64 1.56 1lnlC1 LEU 313 HB3 -0.13 0.03 0.19 -0.04 1.64 1.69 1lnlC1 LEU 313 HG 0.01 0.04 -0.09 -0.04 1.64 1.55 1lnlC1 LEU 313 HD13 0.03 0.01 -0.16 -0.04 0.93 0.77 1lnlC1 LEU 313 HD23 -0.05 0.00 -0.04 -0.04 0.89 0.76 1lnlC1 LEU 314 H 0.34 0.25 -0.00 -0.55 8.37 8.41 1lnlC1 LEU 314 HA 0.23 0.05 0.52 -0.75 4.35 4.39 1lnlC1 LEU 314 HB2 0.54 0.01 0.19 -0.04 1.64 2.34 1lnlC1 LEU 314 HB3 0.35 0.02 -0.08 -0.04 1.64 1.89 1lnlC1 LEU 314 HG 0.32 0.01 -0.04 -0.04 1.64 1.89 1lnlC1 LEU 314 HD13 0.49 -0.02 -0.11 -0.04 0.93 1.25 1lnlC1 LEU 314 HD23 0.17 -0.00 -0.05 -0.04 0.89 0.96 1lnlC1 GLU 315 H -0.10 0.08 0.26 -0.55 8.60 8.30 1lnlC1 GLU 315 HA -0.39 0.11 0.88 -0.75 4.29 4.14 1lnlC1 GLU 315 HB2 -0.15 0.00 0.02 -0.04 2.09 1.92 1lnlC1 GLU 315 HB3 -0.26 -0.03 -0.26 -0.04 1.99 1.40 1lnlC1 GLU 315 HG2 -0.19 0.01 0.05 -0.04 2.34 2.17 1lnlC1 GLU 315 HG3 -0.12 -0.01 -0.03 -0.04 2.34 2.13 1lnlC1 GLY 316 H -0.33 -0.21 0.05 -0.55 8.43 7.40 1lnlC1 GLY 316 HA2 -0.22 -0.05 0.39 -0.51 4.01 3.62 1lnlC1 GLY 316 HA3 -0.55 -0.00 0.13 -0.51 4.01 3.08 1lnlC1 ILE 317 H -0.15 0.27 0.18 -0.55 8.25 8.00 1lnlC1 ILE 317 HA -0.13 0.12 0.19 -0.75 4.18 3.60 1lnlC1 ILE 317 HB -0.15 -0.10 -0.03 -0.04 1.89 1.57 1lnlC1 ILE 317 HG12 -0.45 -0.01 0.38 -0.04 1.49 1.37 1lnlC1 ILE 317 HG13 -0.54 0.10 -1.01 -0.04 1.21 -0.28 1lnlC1 ILE 317 HG23 -0.06 -0.01 0.09 -0.04 0.93 0.91 1lnlC1 ILE 317 HD13 -0.19 -0.06 0.00 -0.04 0.88 0.59 1lnlC1 GLY 318 H -0.03 0.24 0.18 -0.55 8.43 8.27 1lnlC1 GLY 318 HA2 -0.01 0.03 0.29 -0.51 4.01 3.81 1lnlC1 GLY 318 HA3 -0.01 0.07 0.56 -0.51 4.01 4.12 1lnlC1 THR 319 H 0.03 0.05 0.08 -0.55 8.28 7.90 1lnlC1 THR 319 HA -0.18 -0.02 0.25 -0.75 4.39 3.69 1lnlC1 THR 319 HB 0.02 0.09 0.08 -0.04 4.32 4.46 1lnlC1 THR 319 HG23 0.13 -0.02 0.02 -0.04 1.22 1.31 1lnlC1 SER 320 H -0.23 0.31 0.08 -0.55 8.46 8.07 1lnlC1 SER 320 HA -0.02 0.09 0.22 -0.75 4.49 4.03 1lnlC1 SER 320 HB2 -0.04 0.20 0.17 -0.04 3.95 4.24 1lnlC1 SER 320 HB3 -0.17 -0.75 0.41 -0.04 3.93 3.38 1lnlC1 ALA 321 H 0.05 0.29 0.31 -0.55 8.40 8.51 1lnlC1 ALA 321 HA 0.12 0.16 1.02 -0.75 4.34 4.88 1lnlC1 ALA 321 HB3 0.02 -0.01 -0.24 -0.04 1.41 1.14 1lnlC1 HIS 322 H 0.14 1.10 0.44 -0.55 8.41 9.55 1lnlC1 HIS 322 HA -0.03 0.13 1.48 -0.75 4.63 5.45 1lnlC1 HIS 322 HB2 0.05 -0.05 0.06 -0.04 3.26 3.28 1lnlC1 HIS 322 HB3 0.02 0.04 0.01 -0.04 3.20 3.23 1lnlC1 HIS 322 HD2 0.10 -0.05 -0.15 -0.04 6.97 6.83 1lnlC1 HIS 322 HE1 -0.06 -0.03 -0.18 -0.04 7.75 7.44 1lnlC1 LEU 323 H -0.68 0.50 0.37 -0.55 8.37 8.01 1lnlC1 LEU 323 HA -0.51 0.28 1.04 -0.75 4.35 4.41 1lnlC1 LEU 323 HB2 -0.31 0.01 -0.13 -0.04 1.64 1.17 1lnlC1 LEU 323 HB3 -0.39 -0.08 -0.17 -0.04 1.64 0.96 1lnlC1 LEU 323 HG -1.58 -0.03 -0.01 -0.04 1.64 -0.02 1lnlC1 LEU 323 HD13 -0.12 -0.00 -0.42 -0.04 0.93 0.34 1lnlC1 LEU 323 HD23 -0.20 -0.01 -0.11 -0.04 0.89 0.53 1lnlC1 ASP 324 H -0.15 0.38 0.22 -0.55 8.40 8.30 1lnlC1 ASP 324 HA 0.00 0.21 1.10 -0.75 4.63 5.19 1lnlC1 ASP 324 HB2 0.06 0.00 0.05 -0.04 2.71 2.78 1lnlC1 ASP 324 HB3 0.10 -0.01 0.09 -0.04 2.70 2.84 1lnlC1 PHE 325 H -0.34 0.49 0.40 -0.55 8.34 8.34 1lnlC1 PHE 325 HA -0.02 0.36 1.01 -0.75 4.62 5.22 1lnlC1 PHE 325 HB2 0.14 0.03 -0.04 -0.04 3.15 3.24 1lnlC1 PHE 325 HB3 0.12 -0.03 -0.34 -0.04 3.06 2.77 1lnlC1 PHE 325 HD2 -0.04 0.01 -0.26 -0.04 7.28 6.95 1lnlC1 PHE 325 HE2 -0.58 -0.02 -0.24 -0.04 7.38 6.50 1lnlC1 PHE 325 HZ -0.34 0.12 -0.19 -0.04 7.32 6.87 1lnlC1 SER 326 H 0.10 0.74 0.44 -0.55 8.46 9.19 1lnlC1 SER 326 HA -0.23 0.08 1.07 -0.75 4.49 4.66 1lnlC1 SER 326 HB2 -0.01 0.02 -0.11 -0.04 3.95 3.81 1lnlC1 SER 326 HB3 -0.03 -0.07 -0.23 -0.04 3.93 3.55 1lnlC1 ILE 327 H -0.04 0.41 0.23 -0.55 8.25 8.30 1lnlC1 ILE 327 HA 0.09 0.20 0.48 -0.75 4.18 4.20 1lnlC1 ILE 327 HB -0.09 -0.01 0.20 -0.04 1.89 1.95 1lnlC1 ILE 327 HG12 -0.04 0.06 -0.16 -0.04 1.49 1.31 1lnlC1 ILE 327 HG13 0.00 -0.09 -0.08 -0.04 1.21 1.01 1lnlC1 ILE 327 HG23 -0.31 0.02 -0.20 -0.04 0.93 0.40 1lnlC1 ILE 327 HD13 -0.28 0.00 -0.12 -0.04 0.88 0.44 1lnlC1 CYS 328 H 0.09 0.34 0.29 -0.55 8.50 8.67 1lnlC1 CYS 328 HA 0.04 -0.02 0.38 -0.75 4.58 4.23 1lnlC1 CYS 328 HB2 0.07 0.07 0.05 -0.04 2.97 3.12 1lnlC1 CYS 328 HB3 0.05 0.03 -0.15 -0.04 2.97 2.86 1lnlC1 ALA 329 H 0.04 0.39 -0.03 -0.55 8.40 8.25 1lnlC1 ALA 329 HA 0.11 0.19 0.69 -0.75 4.34 4.58 1lnlC1 ALA 329 HB3 0.04 -0.02 0.21 -0.04 1.41 1.60 1lnlC1 ILE 330 H 0.06 0.27 0.23 -0.55 8.25 8.26 1lnlC1 ILE 330 HA 0.04 0.09 0.27 -0.75 4.18 3.82 1lnlC1 ILE 330 HB 0.03 -0.04 0.12 -0.04 1.89 1.96 1lnlC1 ILE 330 HG12 0.04 -0.03 0.17 -0.04 1.49 1.63 1lnlC1 ILE 330 HG13 0.06 0.19 0.29 -0.04 1.21 1.72 1lnlC1 ILE 330 HG23 0.02 0.01 0.01 -0.04 0.93 0.92 1lnlC1 ILE 330 HD13 0.05 -0.03 0.17 -0.04 0.88 1.03 1lnlC1 ASP 331 H 0.03 0.08 -0.07 -0.55 8.40 7.89 1lnlC1 ASP 331 HA 0.02 0.15 0.76 -0.75 4.63 4.81 1lnlC1 ASP 331 HB2 0.01 0.03 0.10 -0.04 2.71 2.82 1lnlC1 ASP 331 HB3 0.01 -0.01 0.09 -0.04 2.70 2.75 1lnlC1 GLY 332 H 0.03 0.38 -0.51 -0.55 8.43 7.78 1lnlC1 GLY 332 HA2 0.03 0.06 0.17 -0.51 4.01 3.76 1lnlC1 GLY 332 HA3 0.02 0.14 0.61 -0.51 4.01 4.27 1lnlC1 GLU 333 H 0.03 0.06 0.07 -0.55 8.60 8.22 1lnlC1 GLU 333 HA 0.02 0.24 0.99 -0.75 4.29 4.78 1lnlC1 GLU 333 HB2 0.02 -0.00 -0.06 -0.04 2.09 2.00 1lnlC1 GLU 333 HB3 0.02 -0.07 0.23 -0.04 1.99 2.13 1lnlC1 GLU 333 HG2 0.01 0.10 -0.10 -0.04 2.34 2.31 1lnlC1 GLU 333 HG3 0.01 0.00 0.00 -0.04 2.34 2.31 1lnlC1 CYS 334 H 0.02 0.23 -0.03 -0.55 8.50 8.17 1lnlC1 CYS 334 HA 0.01 0.44 0.71 -0.75 4.58 4.99 1lnlC1 CYS 334 HB2 0.02 0.00 -0.19 -0.04 2.97 2.76 1lnlC1 CYS 334 HB3 0.02 -0.05 -0.30 -0.04 2.97 2.60 1lnlC1 THR 335 H -0.01 0.14 0.02 -0.55 8.28 7.88 1lnlC1 THR 335 HA 0.02 0.15 0.84 -0.75 4.39 4.64 1lnlC1 THR 335 HB -0.03 -0.05 0.01 -0.04 4.32 4.21 1lnlC1 THR 335 HG23 0.00 0.04 -0.01 -0.04 1.22 1.21 1lnlC1 HIS 336 H 0.11 0.15 0.12 -0.55 8.41 8.24 1lnlC1 HIS 336 HA -0.07 0.02 0.36 -0.75 4.63 4.18 1lnlC1 HIS 336 HB2 -0.02 0.00 0.15 -0.04 3.26 3.35 1lnlC1 HIS 336 HB3 -0.01 0.01 0.10 -0.04 3.20 3.26 1lnlC1 HIS 336 HD2 -0.03 0.00 -0.03 -0.04 6.97 6.86 1lnlC1 HIS 336 HE1 0.18 -0.00 -0.11 -0.04 7.75 7.77 1lnlC1 ALA 337 H -0.62 0.47 0.61 -0.55 8.40 8.31 1lnlC1 ALA 337 HA -0.12 0.15 0.88 -0.75 4.34 4.49 1lnlC1 ALA 337 HB3 -0.31 0.00 0.10 -0.04 1.41 1.17 1lnlC1 GLY 338 H -0.91 0.26 0.34 -0.55 8.43 7.57 1lnlC1 GLY 338 HA2 0.17 0.01 0.42 -0.51 4.01 4.10 1lnlC1 GLY 338 HA3 -0.17 0.12 0.40 -0.51 4.01 3.86 1lnlC1 TYR 339 H 0.15 0.28 0.26 -0.55 8.29 8.43 1lnlC1 TYR 339 HA 0.10 0.19 0.73 -0.75 4.56 4.82 1lnlC1 TYR 339 HB2 0.04 0.16 0.16 -0.04 3.06 3.37 1lnlC1 TYR 339 HB3 0.19 -0.04 -0.03 -0.04 2.98 3.06 1lnlC1 TYR 339 HD2 0.33 0.00 -0.32 -0.04 7.15 7.12 1lnlC1 TYR 339 HE2 0.00 -0.01 -0.06 -0.04 6.85 6.74 1lnlC1 PHE 340 H -0.04 0.59 0.40 -0.55 8.34 8.73 1lnlC1 PHE 340 HA 0.54 0.08 0.63 -0.75 4.62 5.11 1lnlC1 PHE 340 HB2 0.29 0.01 0.14 -0.04 3.15 3.54 1lnlC1 PHE 340 HB3 0.37 0.09 -0.21 -0.04 3.06 3.27 1lnlC1 PHE 340 HD2 -0.08 0.01 -0.30 -0.04 7.28 6.88 1lnlC1 PHE 340 HE2 -0.66 0.00 -0.17 -0.04 7.38 6.51 1lnlC1 PHE 340 HZ 0.10 0.00 -0.14 -0.04 7.32 7.25 1lnlC1 ASP 341 H 0.39 0.33 0.24 -0.55 8.40 8.81 1lnlC1 ASP 341 HA 0.04 0.08 0.92 -0.75 4.63 4.92 1lnlC1 ASP 341 HB2 0.11 0.02 -0.19 -0.04 2.71 2.62 1lnlC1 ASP 341 HB3 0.21 0.05 0.09 -0.04 2.70 3.01 1lnlC1 VAL 342 H 0.08 0.54 0.33 -0.55 8.24 8.63 1lnlC1 VAL 342 HA 0.01 0.18 1.06 -0.75 4.13 4.62 1lnlC1 VAL 342 HB 0.16 0.10 -0.00 -0.04 2.12 2.34 1lnlC1 VAL 342 HG13 0.27 -0.01 -0.11 -0.04 0.97 1.07 1lnlC1 VAL 342 HG23 0.10 0.02 -0.04 -0.04 0.95 0.99 1lnlC1 LEU 343 H -0.21 0.16 0.18 -0.55 8.37 7.95 1lnlC1 LEU 343 HA -0.15 0.11 0.58 -0.75 4.35 4.14 1lnlC1 LEU 343 HB2 -0.35 -0.01 0.09 -0.04 1.64 1.33 1lnlC1 LEU 343 HB3 -0.45 0.01 -0.05 -0.04 1.64 1.12 1lnlC1 LEU 343 HG -0.90 0.04 -0.07 -0.04 1.64 0.67 1lnlC1 LEU 343 HD13 -0.30 -0.03 -0.13 -0.04 0.93 0.42 1lnlC1 LEU 343 HD23 -0.32 0.01 -0.10 -0.04 0.89 0.45 1lnlC1 GLY 344 H -0.24 0.15 0.24 -0.55 8.43 8.03 1lnlC1 GLY 344 HA2 -0.17 0.09 0.38 -0.51 4.01 3.80 1lnlC1 GLY 344 HA3 -0.09 0.26 0.17 -0.51 4.01 3.85 1lnlC1 GLY 345 H -0.18 0.28 0.08 -0.55 8.43 8.07 1lnlC1 GLY 345 HA2 -0.42 0.09 0.53 -0.51 4.01 3.71 1lnlC1 GLY 345 HA3 -0.70 -0.12 0.39 -0.51 4.01 3.07 1lnlC1 SER 346 H -0.07 0.08 0.11 -0.55 8.46 8.04 1lnlC1 SER 346 HA 0.03 0.20 0.82 -0.75 4.49 4.80 1lnlC1 SER 346 HB2 0.28 -0.16 0.25 -0.04 3.95 4.28 1lnlC1 SER 346 HB3 0.08 0.08 0.07 -0.04 3.93 4.12 1lnlC1 LEU 347 H 0.55 0.04 0.11 -0.55 8.37 8.52 1lnlC1 LEU 347 HA 0.02 0.15 0.15 -0.75 4.35 3.91 1lnlC1 LEU 347 HB2 0.42 -0.05 0.08 -0.04 1.64 2.05 1lnlC1 LEU 347 HB3 0.08 -0.23 0.22 -0.04 1.64 1.66 1lnlC1 LEU 347 HG -0.05 0.14 0.09 -0.04 1.64 1.77 1lnlC1 LEU 347 HD13 -0.15 0.02 -0.02 -0.04 0.93 0.75 1lnlC1 LEU 347 HD23 -0.04 -0.07 0.09 -0.04 0.89 0.83 1lnlC1 GLU 348 H -0.04 -0.19 -1.01 -0.55 8.60 6.81 1lnlC1 GLU 348 HA 0.02 0.05 0.37 -0.75 4.29 3.97 1lnlC1 GLU 348 HB2 0.12 0.11 -0.07 -0.04 2.09 2.21 1lnlC1 GLU 348 HB3 -0.03 -0.23 -0.00 -0.04 1.99 1.69 1lnlC1 GLU 348 HG2 -0.02 0.04 -0.11 -0.04 2.34 2.20 1lnlC1 GLU 348 HG3 0.06 0.09 -0.09 -0.04 2.34 2.37 1lnlC1 THR 349 H 0.05 0.10 0.12 -0.55 8.28 8.01 1lnlC1 THR 349 HA 0.20 0.16 0.96 -0.75 4.39 4.95 1lnlC1 THR 349 HB -0.02 -0.05 0.20 -0.04 4.32 4.42 1lnlC1 THR 349 HG23 -0.08 0.01 -0.07 -0.04 1.22 1.04 1lnlC1 PRO 350 HA -0.00 0.01 0.37 -0.51 4.44 4.31 1lnlC1 PRO 350 HB2 -0.01 -0.03 0.02 -0.04 2.28 2.22 1lnlC1 PRO 350 HB3 -0.01 -0.00 0.05 -0.04 2.02 2.01 1lnlC1 PRO 350 HG2 0.05 -0.02 0.09 -0.04 2.03 2.12 1lnlC1 PRO 350 HG3 0.06 0.03 0.13 -0.04 2.03 2.21 1lnlC1 PRO 350 HD2 0.04 0.04 0.27 -0.04 3.68 3.99 1lnlC1 PRO 350 HD3 0.20 0.37 0.27 -0.04 3.65 4.45 1lnlC1 TRP 351 H -0.26 0.28 0.20 -0.55 7.97 7.64 1lnlC1 TRP 351 HA -0.06 0.01 0.57 -0.75 4.62 4.38 1lnlC1 TRP 351 HB2 -0.14 0.01 0.01 -0.04 3.23 3.07 1lnlC1 TRP 351 HB3 -0.10 0.32 -0.17 -0.04 3.23 3.24 1lnlC1 TRP 351 HD1 -0.10 0.04 -0.28 -0.04 7.22 6.84 1lnlC1 TRP 351 HE1 -0.15 -0.08 -0.19 -0.04 10.20 9.74 1lnlC1 TRP 351 HE3 -0.45 0.05 -0.51 -0.04 7.59 6.64 1lnlC1 TRP 351 HZ2 -0.20 -0.05 -0.15 -0.04 7.44 6.99 1lnlC1 TRP 351 HZ3 -1.05 -0.03 -0.06 -0.04 7.13 5.95 1lnlC1 TRP 351 HH2 -0.33 -0.10 -0.14 -0.04 7.19 6.58 1lnlC1 GLN 352 H 0.22 0.25 0.12 -0.55 8.47 8.51 1lnlC1 GLN 352 HA -0.10 0.19 0.92 -0.75 4.36 4.61 1lnlC1 GLN 352 HB2 -0.06 0.01 0.07 -0.04 2.15 2.14 1lnlC1 GLN 352 HB3 -0.14 0.06 -0.17 -0.04 2.02 1.72 1lnlC1 GLN 352 HG2 0.05 -0.06 0.10 -0.04 2.40 2.45 1lnlC1 GLN 352 HG3 0.03 0.03 -0.07 -0.04 2.39 2.34 1lnlC1 GLN 352 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.85 1lnlC1 GLN 352 HE22 0.01 -0.01 -0.06 -0.04 7.69 7.59 1lnlC1 PHE 353 H 0.32 0.40 0.24 -0.55 8.34 8.75 1lnlC1 PHE 353 HA 0.12 0.03 0.62 -0.75 4.62 4.65 1lnlC1 PHE 353 HB2 0.18 0.07 0.28 -0.04 3.15 3.64 1lnlC1 PHE 353 HB3 0.08 0.07 0.10 -0.04 3.06 3.27 1lnlC1 PHE 353 HD2 0.07 -0.02 0.04 -0.04 7.28 7.33 1lnlC1 PHE 353 HE2 -0.25 -0.02 -0.15 -0.04 7.38 6.92 1lnlC1 PHE 353 HZ -0.39 0.01 -0.03 -0.04 7.32 6.87 1lnlC1 ASP 354 H 0.17 0.09 0.13 -0.55 8.40 8.25 1lnlC1 ASP 354 HA 0.09 0.19 0.66 -0.75 4.63 4.81 1lnlC1 ASP 354 HB2 0.05 -0.01 0.22 -0.04 2.71 2.93 1lnlC1 ASP 354 HB3 0.08 0.05 0.13 -0.04 2.70 2.92 1lnlC1 ARG 355 H 0.12 0.31 -0.90 -0.55 8.46 7.44 1lnlC1 ARG 355 HA 0.02 0.03 0.19 -0.75 4.34 3.84 1lnlC1 ARG 355 HB2 -0.02 -0.11 0.17 -0.04 1.90 1.91 1lnlC1 ARG 355 HB3 -0.00 0.41 0.23 -0.04 1.80 2.39 1lnlC1 ARG 355 HG2 -0.09 -0.20 -0.41 -0.04 1.67 0.93 1lnlC1 ARG 355 HG3 -0.12 0.17 -0.31 -0.04 1.67 1.37 1lnlC1 ARG 355 HD2 -0.15 0.08 -0.16 -0.04 3.22 2.95 1lnlC1 ARG 355 HD3 -0.06 -0.02 -0.11 -0.04 3.22 2.98 1lnlC1 LEU 356 H 0.01 0.10 0.09 -0.55 8.37 8.01 1lnlC1 LEU 356 HA 0.09 0.25 0.40 -0.75 4.35 4.33 1lnlC1 LEU 356 HB2 0.01 -0.02 0.01 -0.04 1.64 1.60 1lnlC1 LEU 356 HB3 0.05 -0.04 -0.25 -0.04 1.64 1.35 1lnlC1 LEU 356 HG 0.00 0.01 -0.14 -0.04 1.64 1.48 1lnlC1 LEU 356 HD13 -0.02 -0.00 -0.10 -0.04 0.93 0.76 1lnlC1 LEU 356 HD23 0.04 0.03 -0.53 -0.04 0.89 0.39 1lnlC1 TYR 357 H 0.23 0.48 0.28 -0.55 8.29 8.73 1lnlC1 TYR 357 HA -0.07 0.12 0.78 -0.75 4.56 4.64 1lnlC1 TYR 357 HB2 0.00 0.02 0.14 -0.04 3.06 3.18 1lnlC1 TYR 357 HB3 0.06 -0.12 0.36 -0.04 2.98 3.23 1lnlC1 TYR 357 HD2 -0.49 -0.05 -0.02 -0.04 7.15 6.56 1lnlC1 TYR 357 HE2 -0.98 -0.04 -0.04 -0.04 6.85 5.75 1lnlC1 LYS 358 H 0.11 0.17 0.06 -0.55 8.42 8.21 1lnlC1 LYS 358 HA 0.03 0.27 0.59 -0.75 4.32 4.45 1lnlC1 LYS 358 HB2 0.12 0.04 0.00 -0.04 1.87 1.99 1lnlC1 LYS 358 HB3 -0.02 -0.07 -0.08 -0.04 1.79 1.59 1lnlC1 LYS 358 HG2 -0.15 0.00 -0.15 -0.04 1.46 1.12 1lnlC1 LYS 358 HG3 0.00 0.01 -0.24 -0.04 1.46 1.19 1lnlC1 LYS 358 HD2 0.00 -0.07 -0.23 -0.04 1.69 1.36 1lnlC1 LYS 358 HD3 0.05 0.03 -0.16 -0.04 1.68 1.56 1lnlC1 LYS 358 HE2 -0.01 0.01 -0.06 -0.04 2.99 2.88 1lnlC1 LYS 358 HE3 0.02 0.03 -0.07 -0.04 2.99 2.93 1lnlC1 TYR 359 H 0.18 0.07 0.02 -0.55 8.29 8.01 1lnlC1 TYR 359 HA -0.34 0.07 0.65 -0.75 4.56 4.18 1lnlC1 TYR 359 HB2 -0.63 0.08 -0.34 -0.04 3.06 2.13 1lnlC1 TYR 359 HB3 -0.15 -0.04 0.10 -0.04 2.98 2.84 1lnlC1 TYR 359 HD2 -0.14 0.09 -0.16 -0.04 7.15 6.89 1lnlC1 TYR 359 HE2 0.03 0.13 0.04 -0.04 6.85 7.01 1lnlC1 GLU 360 H -0.64 0.13 0.09 -0.55 8.60 7.63 1lnlC1 GLU 360 HA -1.39 0.04 0.29 -0.75 4.29 2.48 1lnlC1 GLU 360 HB2 -0.88 0.05 0.13 -0.04 2.09 1.35 1lnlC1 GLU 360 HB3 -0.51 0.02 0.09 -0.04 1.99 1.55 1lnlC1 GLU 360 HG2 -0.38 -0.18 0.09 -0.04 2.34 1.83 1lnlC1 GLU 360 HG3 -0.95 -0.06 0.14 -0.04 2.34 1.43 1lnlC1 ILE 361 H -0.26 0.64 0.50 -0.55 8.25 8.57 1lnlC1 ILE 361 HA 0.01 0.17 0.56 -0.75 4.18 4.17 1lnlC1 ILE 361 HB 0.01 -0.09 0.18 -0.04 1.89 1.94 1lnlC1 ILE 361 HG12 0.09 0.01 -0.30 -0.04 1.49 1.26 1lnlC1 ILE 361 HG13 -0.00 0.00 -0.29 -0.04 1.21 0.88 1lnlC1 ILE 361 HG23 0.30 0.05 -0.07 -0.04 0.93 1.18 1lnlC1 ILE 361 HD13 -0.04 -0.00 -0.19 -0.04 0.88 0.61 1lnlC1 THR 362 H -0.20 0.06 0.26 -0.55 8.28 7.85 1lnlC1 THR 362 HA -0.03 0.11 0.34 -0.75 4.39 4.05 1lnlC1 THR 362 HB -0.07 0.03 0.06 -0.04 4.32 4.29 1lnlC1 THR 362 HG23 0.02 0.06 0.05 -0.04 1.22 1.31 1lnlC1 ASP 363 H -0.07 0.06 -0.24 -0.55 8.40 7.61 1lnlC1 ASP 363 HA -0.02 0.13 0.51 -0.75 4.63 4.49 1lnlC1 ASP 363 HB2 -0.03 -0.03 0.10 -0.04 2.71 2.71 1lnlC1 ASP 363 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.68 1lnlC1 VAL 364 H -0.03 0.13 -0.01 -0.55 8.24 7.78 1lnlC1 VAL 364 HA -0.02 0.04 0.43 -0.75 4.13 3.82 1lnlC1 VAL 364 HB -0.06 0.08 -0.01 -0.04 2.12 2.09 1lnlC1 VAL 364 HG13 -0.04 0.01 -0.01 -0.04 0.97 0.89 1lnlC1 VAL 364 HG23 -0.00 -0.00 0.15 -0.04 0.95 1.05 1lnlC1 LEU 365 H -0.07 0.30 -0.58 -0.55 8.37 7.47 1lnlC1 LEU 365 HA -0.14 0.03 0.41 -0.75 4.35 3.90 1lnlC1 LEU 365 HB2 -0.10 0.14 0.01 -0.04 1.64 1.65 1lnlC1 LEU 365 HB3 -0.05 0.11 -0.02 -0.04 1.64 1.64 1lnlC1 LEU 365 HG -0.10 0.04 -0.45 -0.04 1.64 1.09 1lnlC1 LEU 365 HD13 -0.57 -0.01 -0.15 -0.04 0.93 0.16 1lnlC1 LEU 365 HD23 -0.07 -0.01 -0.24 -0.04 0.89 0.53 1lnlC1 GLU 366 H -0.03 0.54 0.17 -0.55 8.60 8.73 1lnlC1 GLU 366 HA -0.00 0.05 0.53 -0.75 4.29 4.12 1lnlC1 GLU 366 HB2 0.00 -0.00 0.15 -0.04 2.09 2.20 1lnlC1 GLU 366 HB3 -0.01 0.02 0.19 -0.04 1.99 2.16 1lnlC1 GLU 366 HG2 0.00 0.01 -0.30 -0.04 2.34 2.01 1lnlC1 GLU 366 HG3 0.01 -0.03 0.03 -0.04 2.34 2.31 1lnlC1 SER 367 H -0.02 0.63 -0.19 -0.55 8.46 8.33 1lnlC1 SER 367 HA -0.00 -0.00 0.43 -0.75 4.49 4.16 1lnlC1 SER 367 HB2 -0.02 0.21 0.16 -0.04 3.95 4.26 1lnlC1 SER 367 HB3 -0.01 -0.05 -0.06 -0.04 3.93 3.78 1lnlC1 LYS 368 H -0.03 0.42 -0.16 -0.55 8.42 8.10 1lnlC1 LYS 368 HA -0.01 0.04 0.38 -0.75 4.32 3.97 1lnlC1 LYS 368 HB2 -0.05 0.07 0.11 -0.04 1.87 1.96 1lnlC1 LYS 368 HB3 -0.02 -0.05 0.13 -0.04 1.79 1.81 1lnlC1 LYS 368 HG2 -0.03 0.10 0.07 -0.04 1.46 1.56 1lnlC1 LYS 368 HG3 -0.04 -0.03 -0.01 -0.04 1.46 1.34 1lnlC1 LYS 368 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.57 1lnlC1 LYS 368 HD3 -0.01 0.03 -0.04 -0.04 1.68 1.62 1lnlC1 LYS 368 HE2 -0.01 -0.02 -0.09 -0.04 2.99 2.83 1lnlC1 LYS 368 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.88 1lnlC1 GLY 369 H -0.00 0.40 -1.08 -0.55 8.43 7.20 1lnlC1 GLY 369 HA2 0.01 0.03 0.28 -0.51 4.01 3.82 1lnlC1 GLY 369 HA3 0.01 -0.07 0.45 -0.51 4.01 3.89 1lnlC1 LEU 370 H -0.01 0.78 -0.01 -0.55 8.37 8.58 1lnlC1 LEU 370 HA 0.05 0.00 0.70 -0.75 4.35 4.34 1lnlC1 LEU 370 HB2 -0.08 0.04 -0.01 -0.04 1.64 1.55 1lnlC1 LEU 370 HB3 -0.03 -0.03 -0.14 -0.04 1.64 1.41 1lnlC1 LEU 370 HG 0.01 0.29 -0.65 -0.04 1.64 1.24 1lnlC1 LEU 370 HD13 -0.01 -0.04 -0.07 -0.04 0.93 0.77 1lnlC1 LEU 370 HD23 0.10 -0.04 0.08 -0.04 0.89 0.99 1lnlC1 ASP 371 H 0.10 0.14 0.02 -0.55 8.40 8.12 1lnlC1 ASP 371 HA 0.04 0.28 0.88 -0.75 4.63 5.08 1lnlC1 ASP 371 HB2 0.09 0.07 -0.13 -0.04 2.71 2.70 1lnlC1 ASP 371 HB3 0.13 -0.21 -0.07 -0.04 2.70 2.51 1lnlC1 VAL 372 H -0.11 0.17 0.05 -0.55 8.24 7.80 1lnlC1 VAL 372 HA -0.00 0.16 0.53 -0.75 4.13 4.06 1lnlC1 VAL 372 HB -0.76 0.02 -0.07 -0.04 2.12 1.27 1lnlC1 VAL 372 HG13 -0.36 0.01 0.05 -0.04 0.97 0.63 1lnlC1 VAL 372 HG23 -0.68 -0.00 0.03 -0.04 0.95 0.25 1lnlC1 HIS 373 H -0.05 -0.00 -0.41 -0.55 8.41 7.40 1lnlC1 HIS 373 HA -0.06 0.19 0.73 -0.75 4.63 4.74 1lnlC1 HIS 373 HB2 -0.01 -0.01 0.05 -0.04 3.26 3.25 1lnlC1 HIS 373 HB3 -0.02 0.02 0.17 -0.04 3.20 3.32 1lnlC1 HIS 373 HD2 -0.02 -0.01 -0.02 -0.04 6.97 6.87 1lnlC1 HIS 373 HE1 -0.01 0.01 -0.03 -0.04 7.75 7.67 1lnlC1 ASP 374 H 0.02 0.29 -0.41 -0.55 8.40 7.76 1lnlC1 ASP 374 HA 0.05 0.27 1.07 -0.75 4.63 5.26 1lnlC1 ASP 374 HB2 0.20 0.13 -0.08 -0.04 2.71 2.92 1lnlC1 ASP 374 HB3 0.11 -0.05 0.05 -0.04 2.70 2.77 1lnlC1 VAL 375 H 0.04 0.15 0.12 -0.55 8.24 8.00 1lnlC1 VAL 375 HA -0.10 0.14 0.55 -0.75 4.13 3.96 1lnlC1 VAL 375 HB 0.02 -0.05 0.29 -0.04 2.12 2.34 1lnlC1 VAL 375 HG13 -0.01 0.00 -0.04 -0.04 0.97 0.87 1lnlC1 VAL 375 HG23 -0.01 0.01 0.00 -0.04 0.95 0.91 1lnlC1 PHE 376 H -0.49 0.37 0.15 -0.55 8.34 7.82 1lnlC1 PHE 376 HA 0.01 0.08 0.56 -0.75 4.62 4.51 1lnlC1 PHE 376 HB2 0.02 0.11 -0.13 -0.04 3.15 3.10 1lnlC1 PHE 376 HB3 0.01 -0.02 -0.19 -0.04 3.06 2.81 1lnlC1 PHE 376 HD2 0.01 0.02 -0.49 -0.04 7.28 6.78 1lnlC1 PHE 376 HE2 0.01 0.01 -0.17 -0.04 7.38 7.18 1lnlC1 PHE 376 HZ 0.01 -0.02 -0.13 -0.04 7.32 7.14 1lnlC1 ASP 377 H 0.15 0.41 0.14 -0.55 8.40 8.55 1lnlC1 ASP 377 HA 0.03 0.14 0.80 -0.75 4.63 4.85 1lnlC1 ASP 377 HB2 0.06 0.02 0.04 -0.04 2.71 2.79 1lnlC1 ASP 377 HB3 0.05 0.04 -0.01 -0.04 2.70 2.74 1lnlC1 ILE 378 H 0.08 0.19 0.20 -0.55 8.25 8.16 1lnlC1 ILE 378 HA 0.18 0.17 0.90 -0.75 4.18 4.68 1lnlC1 ILE 378 HB 0.05 0.03 0.10 -0.04 1.89 2.03 1lnlC1 ILE 378 HG12 0.28 0.01 -0.21 -0.04 1.49 1.53 1lnlC1 ILE 378 HG13 0.18 0.02 -0.07 -0.04 1.21 1.30 1lnlC1 ILE 378 HG23 0.16 -0.01 -0.28 -0.04 0.93 0.75 1lnlC1 ILE 378 HD13 0.10 0.01 -0.11 -0.04 0.88 0.83 1lnlC1 LYS 379 H 0.14 0.50 0.40 -0.55 8.42 8.91 1lnlC1 LYS 379 HA 0.08 0.23 1.16 -0.75 4.32 5.04 1lnlC1 LYS 379 HB2 0.06 0.01 -0.15 -0.04 1.87 1.75 1lnlC1 LYS 379 HB3 0.06 -0.07 0.10 -0.04 1.79 1.85 1lnlC1 LYS 379 HG2 0.04 0.07 -0.14 -0.04 1.46 1.40 1lnlC1 LYS 379 HG3 0.05 0.02 0.13 -0.04 1.46 1.62 1lnlC1 LYS 379 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.57 1lnlC1 LYS 379 HD3 0.03 0.00 -0.03 -0.04 1.68 1.64 1lnlC1 LYS 379 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 1lnlC1 LYS 379 HE3 0.04 0.02 -0.04 -0.04 2.99 2.97 1lnlC1 ILE 380 H 0.07 0.22 0.26 -0.55 8.25 8.25 1lnlC1 ILE 380 HA 0.10 0.30 1.13 -0.75 4.18 4.96 1lnlC1 ILE 380 HB 0.00 -0.06 0.07 -0.04 1.89 1.86 1lnlC1 ILE 380 HG12 0.11 0.08 0.04 -0.04 1.49 1.68 1lnlC1 ILE 380 HG13 -0.01 -0.01 -0.15 -0.04 1.21 1.01 1lnlC1 ILE 380 HG23 0.26 0.00 -0.15 -0.04 0.93 1.01 1lnlC1 ILE 380 HD13 -0.41 -0.03 -0.05 -0.04 0.88 0.35 1lnlC1 THR 381 H -0.04 0.33 0.14 -0.55 8.28 8.16 1lnlC1 THR 381 HA -0.06 0.08 0.59 -0.75 4.39 4.26 1lnlC1 THR 381 HB -0.01 0.01 0.18 -0.04 4.32 4.46 1lnlC1 THR 381 HG23 -0.01 0.04 0.07 -0.04 1.22 1.28 1lnlC1 GLN 382 H -0.18 0.12 0.12 -0.55 8.47 7.98 1lnlC1 GLN 382 HA -0.18 0.07 0.56 -0.75 4.36 4.05 1lnlC1 GLN 382 HB2 -0.24 -0.00 0.06 -0.04 2.15 1.93 1lnlC1 GLN 382 HB3 -0.11 -0.02 -0.10 -0.04 2.02 1.76 1lnlC1 GLN 382 HG2 -0.06 0.00 -0.17 -0.04 2.40 2.13 1lnlC1 GLN 382 HG3 -0.16 -0.02 -0.24 -0.04 2.39 1.94 1lnlC1 GLN 382 HE21 0.07 -0.06 -0.05 -0.04 6.97 6.89 1lnlC1 GLN 382 HE22 -0.03 -0.02 -0.12 -0.04 7.69 7.48 1lnlC1 THR 383 H -0.02 0.40 0.22 -0.55 8.28 8.33 1lnlC1 THR 383 HA -0.02 -0.03 0.60 -0.75 4.39 4.19 1lnlC1 THR 383 HB 0.16 0.14 0.15 -0.04 4.32 4.72 1lnlC1 THR 383 HG23 -0.02 0.02 -0.22 -0.04 1.22 0.96 1lnlC1 SER 384 H -0.05 0.24 0.10 -0.55 8.46 8.20 1lnlC1 SER 384 HA 0.06 0.15 0.38 -0.75 4.49 4.32 1lnlC1 SER 384 HB2 -0.07 0.08 0.17 -0.04 3.95 4.10 1lnlC1 SER 384 HB3 -0.20 0.28 0.16 -0.04 3.93 4.13 1lnlC1 TRP 385 H 0.20 0.20 0.17 -0.55 7.97 7.99 1lnlC1 TRP 385 HA -0.00 0.09 0.38 -0.75 4.62 4.33 1lnlC1 TRP 385 HB2 0.02 0.13 0.13 -0.04 3.23 3.46 1lnlC1 TRP 385 HB3 -0.01 0.07 0.09 -0.04 3.23 3.34 1lnlC1 TRP 385 HD1 -0.04 0.07 0.09 -0.04 7.22 7.29 1lnlC1 TRP 385 HE1 -0.00 -0.06 -0.01 -0.04 10.20 10.09 1lnlC1 TRP 385 HE3 0.04 0.07 -0.28 -0.04 7.59 7.37 1lnlC1 TRP 385 HZ2 0.04 -0.04 -0.06 -0.04 7.44 7.34 1lnlC1 TRP 385 HZ3 0.05 -0.03 -0.46 -0.04 7.13 6.64 1lnlC1 TRP 385 HH2 0.03 -0.06 -0.08 -0.04 7.19 7.04 1lnlC1 ASP 386 H -0.39 -0.07 -0.84 -0.55 8.40 6.55 1lnlC1 ASP 386 HA -0.29 0.13 0.49 -0.75 4.63 4.21 1lnlC1 ASP 386 HB2 -0.54 0.00 -0.05 -0.04 2.71 2.08 1lnlC1 ASP 386 HB3 -0.94 0.21 -0.01 -0.04 2.70 1.92 1lnlC1 ASN 387 H -0.16 0.17 -0.00 -0.55 8.53 8.00 1lnlC1 ASN 387 HA -0.10 0.01 0.31 -0.75 4.76 4.23 1lnlC1 ASN 387 HB2 -0.09 0.02 0.13 -0.04 2.88 2.89 1lnlC1 ASN 387 HB3 -0.10 0.02 0.14 -0.04 2.79 2.80 1lnlC1 ASN 387 HD21 -0.05 -0.00 0.00 -0.04 7.03 6.94 1lnlC1 ASN 387 HD22 -0.06 0.01 0.02 -0.04 7.74 7.67 1lnlC1 GLU 388 H -0.11 0.05 0.20 -0.55 8.60 8.19 1lnlC1 GLU 388 HA -0.08 0.11 0.70 -0.75 4.29 4.27 1lnlC1 GLU 388 HB2 -0.16 0.05 -0.14 -0.04 2.09 1.80 1lnlC1 GLU 388 HB3 -0.14 -0.09 0.18 -0.04 1.99 1.90 1lnlC1 GLU 388 HG2 -0.06 0.05 -0.08 -0.04 2.34 2.21 1lnlC1 GLU 388 HG3 -0.07 0.01 0.03 -0.04 2.34 2.27 1lnlC1 ASP 389 H -0.05 0.11 0.01 -0.55 8.40 7.92 1lnlC1 ASP 389 HA -0.04 0.04 0.32 -0.75 4.63 4.20 1lnlC1 ASP 389 HB2 -0.03 -0.02 0.12 -0.04 2.71 2.74 1lnlC1 ASP 389 HB3 -0.03 -0.03 0.08 -0.04 2.70 2.68 1lnlC1 ILE 390 H -0.04 0.35 0.11 -0.55 8.25 8.12 1lnlC1 ILE 390 HA -0.03 0.10 0.70 -0.75 4.18 4.19 1lnlC1 ILE 390 HB -0.07 -0.07 -0.11 -0.04 1.89 1.61 1lnlC1 ILE 390 HG12 -0.04 -0.02 -0.11 -0.04 1.49 1.29 1lnlC1 ILE 390 HG13 -0.04 -0.10 -0.32 -0.04 1.21 0.71 1lnlC1 ILE 390 HG23 -0.04 0.04 -0.11 -0.04 0.93 0.78 1lnlC1 ILE 390 HD13 -0.02 0.02 -0.05 -0.04 0.88 0.79 1lnlC1 SER 391 H -0.02 0.14 0.10 -0.55 8.46 8.14 1lnlC1 SER 391 HA -0.02 0.05 0.37 -0.75 4.49 4.14 1lnlC1 SER 391 HB2 0.00 -0.01 0.07 -0.04 3.95 3.97 1lnlC1 SER 391 HB3 -0.01 0.07 0.14 -0.04 3.93 4.09 1lnlC1 THR 392 H -0.01 0.17 0.15 -0.55 8.28 8.04 1lnlC1 THR 392 HA -0.06 0.11 0.64 -0.75 4.39 4.32 1lnlC1 THR 392 HB -0.13 -0.02 0.11 -0.04 4.32 4.25 1lnlC1 THR 392 HG23 -0.06 0.04 0.07 -0.04 1.22 1.23 1lnlC1 ASP 393 H 0.03 0.13 -0.68 -0.55 8.40 7.33 1lnlC1 ASP 393 HA 0.05 0.21 0.58 -0.75 4.63 4.71 1lnlC1 ASP 393 HB2 0.03 -0.06 0.14 -0.04 2.71 2.77 1lnlC1 ASP 393 HB3 0.02 0.07 0.03 -0.04 2.70 2.78 1lnlC1 ARG 394 H 0.04 0.07 0.06 -0.55 8.46 8.07 1lnlC1 ARG 394 HA 0.02 0.08 0.32 -0.75 4.34 4.00 1lnlC1 ARG 394 HB2 0.01 -0.03 0.10 -0.04 1.90 1.94 1lnlC1 ARG 394 HB3 0.02 -0.02 0.04 -0.04 1.80 1.81 1lnlC1 ARG 394 HG2 -0.01 0.04 0.00 -0.04 1.67 1.66 1lnlC1 ARG 394 HG3 -0.01 -0.00 0.05 -0.04 1.67 1.67 1lnlC1 ARG 394 HD2 -0.02 0.01 -0.04 -0.04 3.22 3.14 1lnlC1 ARG 394 HD3 -0.02 -0.00 -0.01 -0.04 3.22 3.15 1lnlC1 PHE 395 H 0.18 -0.15 -0.93 -0.55 8.34 6.90 1lnlC1 PHE 395 HA -0.01 -0.00 0.24 -0.75 4.62 4.09 1lnlC1 PHE 395 HB2 0.00 -0.09 -0.05 -0.04 3.15 2.97 1lnlC1 PHE 395 HB3 0.00 0.07 -0.18 -0.04 3.06 2.91 1lnlC1 PHE 395 HD2 0.02 -0.03 -0.13 -0.04 7.28 7.10 1lnlC1 PHE 395 HE2 0.11 -0.09 -0.08 -0.04 7.38 7.28 1lnlC1 PHE 395 HZ 0.40 -0.10 -0.11 -0.04 7.32 7.47 1lnlC1 PRO 396 HA -0.16 0.07 0.30 -0.51 4.44 4.14 1lnlC1 PRO 396 HB2 -0.35 -0.08 0.10 -0.04 2.28 1.90 1lnlC1 PRO 396 HB3 -0.18 0.00 0.12 -0.04 2.02 1.92 1lnlC1 PRO 396 HG2 -0.21 -0.02 0.11 -0.04 2.03 1.87 1lnlC1 PRO 396 HG3 -0.15 0.06 0.14 -0.04 2.03 2.03 1lnlC1 PRO 396 HD2 -0.64 0.04 0.18 -0.04 3.68 3.21 1lnlC1 PRO 396 HD3 -0.19 0.10 0.22 -0.04 3.65 3.74 1lnlC1 PRO 397 HA -0.03 0.08 0.60 -0.51 4.44 4.58 1lnlC1 PRO 397 HB2 -0.06 0.06 0.03 -0.04 2.28 2.26 1lnlC1 PRO 397 HB3 -0.02 0.03 0.19 -0.04 2.02 2.17 1lnlC1 PRO 397 HG2 -0.09 -0.04 0.14 -0.04 2.03 1.99 1lnlC1 PRO 397 HG3 -0.05 -0.00 0.09 -0.04 2.03 2.02 1lnlC1 PRO 397 HD2 -0.09 0.03 0.22 -0.04 3.68 3.79 1lnlC1 PRO 397 HD3 -0.03 0.21 0.15 -0.04 3.65 3.94 1lnlC1 PRO 398 HA -0.29 0.12 0.65 -0.51 4.44 4.40 1lnlC1 PRO 398 HB2 -0.26 -0.01 0.00 -0.04 2.28 1.97 1lnlC1 PRO 398 HB3 -0.79 0.04 0.04 -0.04 2.02 1.26 1lnlC1 PRO 398 HG2 -0.23 -0.03 -0.01 -0.04 2.03 1.71 1lnlC1 PRO 398 HG3 -0.34 0.07 0.04 -0.04 2.03 1.76 1lnlC1 PRO 398 HD2 -0.07 0.10 0.22 -0.04 3.68 3.88 1lnlC1 PRO 398 HD3 0.00 0.17 0.29 -0.04 3.65 4.07 1lnlC1 SER 399 H -0.15 0.08 0.23 -0.55 8.46 8.07 1lnlC1 SER 399 HA -0.07 0.21 0.57 -0.75 4.49 4.44 1lnlC1 SER 399 HB2 -0.04 -0.11 -0.09 -0.04 3.95 3.67 1lnlC1 SER 399 HB3 -0.04 -0.01 0.08 -0.04 3.93 3.93 1lnlC1 VAL 400 H -0.02 0.17 0.00 -0.55 8.24 7.84 1lnlC1 VAL 400 HA 0.07 0.24 0.98 -0.75 4.13 4.67 1lnlC1 VAL 400 HB -0.03 -0.03 0.18 -0.04 2.12 2.20 1lnlC1 VAL 400 HG13 0.17 0.01 -0.04 -0.04 0.97 1.07 1lnlC1 VAL 400 HG23 0.00 -0.00 -0.33 -0.04 0.95 0.59 1lnlC1 ILE 401 H 0.08 0.12 -0.04 -0.55 8.25 7.86 1lnlC1 ILE 401 HA 0.06 0.08 0.47 -0.75 4.18 4.04 1lnlC1 ILE 401 HB 0.06 -0.10 -0.14 -0.04 1.89 1.66 1lnlC1 ILE 401 HG12 0.01 -0.03 -0.11 -0.04 1.49 1.32 1lnlC1 ILE 401 HG13 0.03 0.01 -0.26 -0.04 1.21 0.95 1lnlC1 ILE 401 HG23 -0.03 0.02 -0.04 -0.04 0.93 0.83 1lnlC1 ILE 401 HD13 -0.04 0.00 -0.13 -0.04 0.88 0.67 1lnlC1 TYR 402 H 0.12 0.28 0.18 -0.55 8.29 8.31 1lnlC1 TYR 402 HA 0.09 0.17 0.84 -0.75 4.56 4.90 1lnlC1 TYR 402 HB2 0.01 0.10 -0.02 -0.04 3.06 3.11 1lnlC1 TYR 402 HB3 -0.00 -0.04 0.15 -0.04 2.98 3.05 1lnlC1 TYR 402 HD2 0.02 0.09 0.07 -0.04 7.15 7.29 1lnlC1 TYR 402 HE2 0.00 -0.00 -0.07 -0.04 6.85 6.74 1lnlC1 VAL 403 H 0.01 0.61 0.15 -0.55 8.24 8.47 1lnlC1 VAL 403 HA -0.22 0.17 0.93 -0.75 4.13 4.26 1lnlC1 VAL 403 HB 0.06 -0.01 0.22 -0.04 2.12 2.34 1lnlC1 VAL 403 HG13 -0.08 0.03 -0.05 -0.04 0.97 0.83 1lnlC1 VAL 403 HG23 -0.25 -0.02 -0.23 -0.04 0.95 0.41 1lnlC1 PRO 404 HA -0.34 0.04 0.43 -0.51 4.44 4.07 1lnlC1 PRO 404 HB2 -0.15 -0.04 0.14 -0.04 2.28 2.19 1lnlC1 PRO 404 HB3 -0.12 0.03 0.14 -0.04 2.02 2.03 1lnlC1 PRO 404 HG2 -0.21 0.04 0.03 -0.04 2.03 1.86 1lnlC1 PRO 404 HG3 -1.12 0.02 -0.01 -0.04 2.03 0.87 1lnlC1 PRO 404 HD2 -0.27 0.12 0.09 -0.04 3.68 3.58 1lnlC1 PRO 404 HD3 -0.63 0.23 -0.47 -0.04 3.65 2.75 1lnlC1 LYS 405 H -0.06 0.02 0.00 -0.55 8.42 7.82 1lnlC1 LYS 405 HA -0.01 0.01 0.13 -0.75 4.32 3.69 1lnlC1 LYS 405 HB2 -0.03 -0.09 -0.10 -0.04 1.87 1.60 1lnlC1 LYS 405 HB3 -0.03 0.25 -0.03 -0.04 1.79 1.95 1lnlC1 LYS 405 HG2 -0.00 0.01 -0.00 -0.04 1.46 1.42 1lnlC1 LYS 405 HG3 -0.01 -0.07 -0.01 -0.04 1.46 1.33 1lnlC1 LYS 405 HD2 -0.01 0.21 -0.04 -0.04 1.69 1.82 1lnlC1 LYS 405 HD3 -0.00 -0.06 -0.03 -0.04 1.68 1.54 1lnlC1 LYS 405 HE2 -0.02 -0.09 -0.05 -0.04 2.99 2.79 1lnlC1 LYS 405 HE3 -0.01 0.10 -0.04 -0.04 2.99 3.00