============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 9 1.000 51.063 74.322 191.540 -99.200 -91.000 PHE 11 1.000 48.735 79.982 186.620 -99.200 -91.000 TRP 14 1.040 47.002 80.247 176.111 -99.200 -91.000 TRP6 14 1.020 49.155 79.280 176.194 -99.200 -91.000 TRP 18 1.040 39.826 84.340 176.212 -99.200 -91.000 TRP6 18 1.020 37.763 83.906 177.267 -99.200 -91.000 PHE 24 1.000 27.581 81.718 169.994 -99.200 -91.000 HIS 39 0.900 57.287 92.511 187.153 -99.200 -91.000 TYR 47 0.840 58.230 75.776 187.165 -99.200 -91.000 PHE 51 1.000 56.767 83.258 174.663 -99.200 -91.000 HIS 52 0.900 49.442 79.886 171.775 -99.200 -91.000 PHE 59 1.000 50.625 87.363 161.175 -99.200 -91.000 PHE 73 1.000 58.203 87.112 178.378 -99.200 -91.000 PHE 92 1.000 45.689 78.926 168.025 -99.200 -91.000 HIS 94 0.900 46.903 85.605 158.690 -99.200 -91.000 PHE 97 1.000 49.019 79.512 160.058 -99.200 -91.000 PHE 102 1.000 53.626 71.882 161.534 -99.200 -91.000 TYR 112 0.840 53.394 82.128 157.130 -99.200 -91.000 TRP 135 1.040 45.245 72.414 169.907 -99.200 -91.000 TRP6 135 1.020 44.054 74.374 169.343 -99.200 -91.000 TYR 143 0.840 31.802 70.458 154.892 -99.200 -91.000 TYR 156 0.840 50.339 67.107 162.956 -99.200 -91.000 TYR 166 0.840 66.457 74.991 163.170 -99.200 -91.000 TYR 172 0.840 67.835 75.760 168.782 -99.200 -91.000 PHE 176 1.000 60.754 68.850 168.691 -99.200 -91.000 HIS 196 0.900 42.473 58.431 167.981 -99.200 -91.000 PHE 200 1.000 51.835 61.940 163.722 -99.200 -91.000 PHE 210 1.000 58.953 64.396 167.350 -99.200 -91.000 HIS 218 0.900 42.289 70.141 174.269 -99.200 -91.000 PHE 226 1.000 43.620 64.659 181.624 -99.200 -91.000 TRP 235 1.040 52.302 50.245 180.421 -99.200 -91.000 TRP6 235 1.020 51.932 49.548 178.192 -99.200 -91.000 HIS 236 0.900 51.839 53.648 175.251 -99.200 -91.000 PHE 240 1.000 58.301 63.428 175.667 -99.200 -91.000 HIS 241 0.900 53.558 71.436 179.241 -99.200 -91.000 HIS 248 0.900 30.965 71.502 184.505 -99.200 -91.000 PHE 252 1.000 30.975 76.237 175.719 -99.200 -91.000 PHE 258 1.000 43.291 69.883 188.304 -99.200 -91.000 HIS 260 0.900 36.678 76.111 190.011 -99.200 -91.000 PHE 267 1.000 40.862 62.360 195.973 -99.200 -91.000 TYR 283 0.840 54.168 65.660 184.491 -99.200 -91.000 HIS 288 0.900 50.677 75.528 180.454 -99.200 -91.000 PHE 289 1.000 47.167 74.983 187.452 -99.200 -91.000 TYR 291 0.840 42.778 79.955 184.357 -99.200 -91.000 TYR 299 0.840 42.813 92.117 183.247 -99.200 -91.000 TRP 303 1.040 45.453 89.555 188.178 -99.200 -91.000 TRP6 303 1.020 47.006 88.260 186.968 -99.200 -91.000 TYR 313 0.840 48.573 69.487 191.269 -99.200 -91.000 PHE 323 1.000 42.313 56.821 198.521 -99.200 -91.000 TYR 352 0.840 53.802 27.561 174.226 -99.200 -91.000 PHE 362 1.000 39.781 25.558 180.396 -99.200 -91.000 TYR 365 0.840 39.523 29.400 188.094 -99.200 -91.000 PHE 375 1.000 37.162 41.295 192.058 -99.200 -91.000 PHE 377 1.000 36.997 46.443 192.307 -99.200 -91.000 HIS 387 0.900 41.000 59.859 203.666 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 5xinC1 VAL 3 HA 0.06 -0.10 0.22 -0.75 4.13 3.55 5xinC1 VAL 3 HB 0.10 0.00 -0.17 -0.04 2.12 2.01 5xinC1 VAL 3 HG13 0.07 0.00 0.02 -0.04 0.97 1.03 5xinC1 VAL 3 HG23 0.07 0.00 -0.04 -0.04 0.95 0.94 5xinC1 GLN 4 H 0.07 0.13 0.11 -0.55 8.47 8.23 5xinC1 GLN 4 HA 0.08 0.15 0.83 -0.75 4.36 4.66 5xinC1 ALA 5 H 0.12 0.17 0.16 -0.55 8.40 8.30 5xinC1 ALA 5 HA 0.23 0.03 0.57 -0.75 4.34 4.41 5xinC1 ALA 5 HB3 0.28 0.04 0.11 -0.04 1.41 1.79 5xinC1 THR 6 H 0.06 0.12 0.27 -0.55 8.28 8.18 5xinC1 THR 6 HA 0.04 0.28 0.90 -0.75 4.39 4.86 5xinC1 THR 6 HB -0.00 -0.05 0.19 -0.04 4.32 4.42 5xinC1 THR 6 HG23 0.02 0.06 -0.07 -0.04 1.22 1.19 5xinC1 ARG 7 H 0.01 0.22 0.19 -0.55 8.46 8.32 5xinC1 ARG 7 HA 0.06 0.15 0.43 -0.75 4.34 4.22 5xinC1 ARG 7 HB2 0.02 -0.04 0.15 -0.04 1.90 1.99 5xinC1 ARG 7 HB3 0.10 0.06 0.14 -0.04 1.80 2.06 5xinC1 ARG 7 HG2 0.06 -0.05 0.09 -0.04 1.67 1.73 5xinC1 ARG 7 HG3 0.06 0.05 0.09 -0.04 1.67 1.83 5xinC1 ARG 7 HD2 0.15 0.05 0.14 -0.04 3.22 3.52 5xinC1 ARG 7 HD3 0.16 -0.04 -0.05 -0.04 3.22 3.25 5xinC1 GLU 8 H -0.07 0.00 -0.29 -0.55 8.60 7.69 5xinC1 GLU 8 HA -0.18 0.15 0.40 -0.75 4.29 3.91 5xinC1 GLU 8 HB2 -0.07 -0.04 0.08 -0.04 2.09 2.03 5xinC1 GLU 8 HB3 -0.09 -0.04 0.00 -0.04 1.99 1.83 5xinC1 GLU 8 HG2 -0.10 0.06 -0.05 -0.04 2.34 2.21 5xinC1 GLU 8 HG3 -0.09 0.03 0.05 -0.04 2.34 2.29 5xinC1 ASP 9 H -0.25 0.30 -0.38 -0.55 8.40 7.52 5xinC1 ASP 9 HA -0.43 0.10 0.47 -0.75 4.63 4.02 5xinC1 ASP 9 HB2 -0.43 0.20 0.17 -0.04 2.71 2.62 5xinC1 ASP 9 HB3 -1.48 -0.02 0.02 -0.04 2.70 1.18 5xinC1 LYS 10 H -0.55 0.22 -0.28 -0.55 8.42 7.25 5xinC1 LYS 10 HA -1.50 0.06 0.30 -0.75 4.32 2.42 5xinC1 LYS 10 HB2 -0.60 0.26 -0.23 -0.04 1.87 1.26 5xinC1 LYS 10 HB3 -0.75 -0.21 0.12 -0.04 1.79 0.91 5xinC1 LYS 10 HG2 -1.08 -0.01 -0.04 -0.04 1.46 0.29 5xinC1 LYS 10 HG3 -0.53 0.12 -0.30 -0.04 1.46 0.71 5xinC1 LYS 10 HD2 -0.38 0.18 -0.33 -0.04 1.69 1.12 5xinC1 LYS 10 HD3 -0.30 -0.15 -0.20 -0.04 1.68 0.98 5xinC1 LYS 10 HE2 -0.19 0.08 0.02 -0.04 2.99 2.87 5xinC1 LYS 10 HE3 -0.21 -0.09 -0.03 -0.04 2.99 2.62 5xinC1 PHE 11 H -0.14 0.13 0.03 -0.55 8.34 7.80 5xinC1 PHE 11 HA -0.21 0.33 0.72 -0.75 4.62 4.71 5xinC1 PHE 11 HB2 0.14 0.03 0.11 -0.04 3.15 3.39 5xinC1 PHE 11 HB3 0.17 -0.02 0.01 -0.04 3.06 3.17 5xinC1 PHE 11 HD2 -0.15 0.11 0.01 -0.04 7.28 7.21 5xinC1 PHE 11 HE2 -0.47 -0.03 -0.02 -0.04 7.38 6.82 5xinC1 PHE 11 HZ -0.05 -0.02 -0.04 -0.04 7.32 7.17 5xinC1 SER 12 H -0.04 0.59 0.39 -0.55 8.46 8.85 5xinC1 SER 12 HA 0.30 0.30 0.94 -0.75 4.49 5.27 5xinC1 SER 12 HB2 0.25 -0.02 -0.18 -0.04 3.95 3.95 5xinC1 SER 12 HB3 0.30 0.04 -0.19 -0.04 3.93 4.04 5xinC1 PHE 13 H 0.34 0.49 0.32 -0.55 8.34 8.94 5xinC1 PHE 13 HA -0.13 0.16 0.98 -0.75 4.62 4.89 5xinC1 PHE 13 HB2 0.11 0.03 0.07 -0.04 3.15 3.32 5xinC1 PHE 13 HB3 0.03 -0.00 0.06 -0.04 3.06 3.10 5xinC1 PHE 13 HD2 0.19 -0.00 -0.05 -0.04 7.28 7.37 5xinC1 PHE 13 HE2 -0.07 0.01 -0.05 -0.04 7.38 7.23 5xinC1 PHE 13 HZ -0.21 0.15 0.01 -0.04 7.32 7.23 5xinC1 GLY 14 H -0.43 0.30 0.22 -0.55 8.43 7.96 5xinC1 GLY 14 HA2 -0.28 0.15 0.62 -0.51 4.01 3.98 5xinC1 GLY 14 HA3 -2.01 -0.01 0.28 -0.51 4.01 1.76 5xinC1 LEU 15 H 0.17 0.65 0.36 -0.55 8.37 9.00 5xinC1 LEU 15 HA 0.15 0.10 0.42 -0.75 4.35 4.27 5xinC1 LEU 15 HB2 0.30 0.19 0.20 -0.04 1.64 2.29 5xinC1 LEU 15 HB3 0.45 -0.19 0.20 -0.04 1.64 2.06 5xinC1 LEU 15 HG 0.22 0.02 -0.16 -0.04 1.64 1.67 5xinC1 LEU 15 HD13 0.18 0.00 0.03 -0.04 0.93 1.10 5xinC1 LEU 15 HD23 0.00 0.00 -0.11 -0.04 0.89 0.74 5xinC1 TRP 16 H 0.45 0.01 -0.22 -0.55 7.97 7.67 5xinC1 TRP 16 HA 0.19 0.13 0.37 -0.75 4.62 4.55 5xinC1 TRP 16 HB2 0.20 0.05 0.02 -0.04 3.23 3.47 5xinC1 TRP 16 HB3 0.30 -0.11 0.03 -0.04 3.23 3.40 5xinC1 TRP 16 HD1 0.04 0.08 -0.28 -0.04 7.22 7.02 5xinC1 TRP 16 HE1 0.03 0.04 -0.15 -0.04 10.20 10.08 5xinC1 TRP 16 HE3 0.32 -0.09 0.02 -0.04 7.59 7.81 5xinC1 TRP 16 HZ2 0.20 0.06 -0.14 -0.04 7.44 7.52 5xinC1 TRP 16 HZ3 0.04 -0.03 -0.38 -0.04 7.13 6.72 5xinC1 TRP 16 HH2 0.07 0.08 -0.22 -0.04 7.19 7.08 5xinC1 THR 17 H -0.38 0.39 -0.51 -0.55 8.28 7.22 5xinC1 THR 17 HA -0.24 0.29 0.75 -0.75 4.39 4.43 5xinC1 THR 17 HB -0.32 0.07 0.13 -0.04 4.32 4.15 5xinC1 THR 17 HG23 -0.67 0.02 0.16 -0.04 1.22 0.70 5xinC1 VAL 18 H -0.08 0.21 0.07 -0.55 8.24 7.89 5xinC1 VAL 18 HA -0.25 0.07 0.32 -0.75 4.13 3.52 5xinC1 VAL 18 HB -0.55 -0.01 0.00 -0.04 2.12 1.52 5xinC1 VAL 18 HG13 -0.19 0.01 -0.00 -0.04 0.97 0.74 5xinC1 VAL 18 HG23 0.12 0.03 -0.03 -0.04 0.95 1.03 5xinC1 GLY 19 H 0.07 0.20 -0.45 -0.55 8.43 7.70 5xinC1 GLY 19 HA2 0.17 0.05 0.55 -0.51 4.01 4.27 5xinC1 GLY 19 HA3 0.17 0.08 0.30 -0.51 4.01 4.05 5xinC1 TRP 20 H 0.22 0.48 -0.48 -0.55 7.97 7.64 5xinC1 TRP 20 HA 0.06 -0.06 0.45 -0.75 4.62 4.32 5xinC1 TRP 20 HB2 0.00 0.25 0.23 -0.04 3.23 3.67 5xinC1 TRP 20 HB3 -0.10 0.08 0.18 -0.04 3.23 3.34 5xinC1 TRP 20 HD1 0.08 0.01 0.06 -0.04 7.22 7.33 5xinC1 TRP 20 HE1 0.05 0.10 -0.01 -0.04 10.20 10.30 5xinC1 TRP 20 HE3 -0.10 0.18 -0.07 -0.04 7.59 7.56 5xinC1 TRP 20 HZ2 0.04 0.05 -0.23 -0.04 7.44 7.25 5xinC1 TRP 20 HZ3 -0.02 0.04 -0.14 -0.04 7.13 6.97 5xinC1 TRP 20 HH2 0.03 -0.05 -0.11 -0.04 7.19 7.02 5xinC1 GLN 21 H -0.19 0.11 0.19 -0.55 8.47 8.03 5xinC1 GLN 21 HA -0.29 0.21 0.35 -0.75 4.36 3.89 5xinC1 GLN 21 HB2 -0.16 -0.08 0.12 -0.04 2.15 1.98 5xinC1 GLN 21 HB3 -0.18 0.01 0.14 -0.04 2.02 1.95 5xinC1 GLN 21 HG2 -0.02 0.18 -0.46 -0.04 2.40 2.05 5xinC1 GLN 21 HG3 0.01 0.12 -0.07 -0.04 2.39 2.41 5xinC1 GLN 21 HE21 -0.00 -0.08 0.03 -0.04 6.97 6.88 5xinC1 GLN 21 HE22 -0.02 0.43 0.12 -0.04 7.69 8.17 5xinC1 ALA 22 H -2.23 0.08 -0.43 -0.55 8.40 5.28 5xinC1 ALA 22 HA -3.42 0.05 0.12 -0.75 4.34 0.34 5xinC1 ALA 22 HB3 -0.70 0.04 0.00 -0.04 1.41 0.71 5xinC1 ARG 23 H -0.57 0.02 -0.18 -0.55 8.46 7.18 5xinC1 ARG 23 HA -0.12 0.19 0.17 -0.75 4.34 3.82 5xinC1 ARG 23 HB2 -0.11 -0.07 0.03 -0.04 1.90 1.71 5xinC1 ARG 23 HB3 -0.03 -0.07 0.13 -0.04 1.80 1.79 5xinC1 ARG 23 HG2 0.01 0.26 -0.15 -0.04 1.67 1.75 5xinC1 ARG 23 HG3 -0.03 -0.08 0.07 -0.04 1.67 1.58 5xinC1 ARG 23 HD2 0.00 -0.07 -0.00 -0.04 3.22 3.11 5xinC1 ARG 23 HD3 0.03 0.01 -0.07 -0.04 3.22 3.14 5xinC1 ASP 24 H 0.04 0.29 0.06 -0.55 8.40 8.25 5xinC1 ASP 24 HA 0.27 0.19 0.70 -0.75 4.63 5.04 5xinC1 ASP 24 HB2 0.25 -0.07 0.13 -0.04 2.71 2.98 5xinC1 ASP 24 HB3 0.37 0.07 -0.16 -0.04 2.70 2.94 5xinC1 ALA 25 H 0.11 0.16 0.11 -0.55 8.40 8.23 5xinC1 ALA 25 HA -0.12 0.13 0.44 -0.75 4.34 4.05 5xinC1 ALA 25 HB3 -0.26 0.01 0.07 -0.04 1.41 1.20 5xinC1 PHE 26 H 0.19 -0.04 -0.34 -0.55 8.34 7.59 5xinC1 PHE 26 HA -0.01 0.25 0.87 -0.75 4.62 4.97 5xinC1 PHE 26 HB2 -0.03 -0.02 -0.03 -0.04 3.15 3.02 5xinC1 PHE 26 HB3 -0.03 0.02 0.15 -0.04 3.06 3.16 5xinC1 PHE 26 HD2 -0.05 -0.04 -0.04 -0.04 7.28 7.11 5xinC1 PHE 26 HE2 -0.08 -0.01 -0.04 -0.04 7.38 7.21 5xinC1 PHE 26 HZ -0.05 0.00 -0.03 -0.04 7.32 7.20 5xinC1 GLY 27 H 0.05 0.36 -0.10 -0.55 8.43 8.20 5xinC1 GLY 27 HA2 0.03 0.08 0.49 -0.51 4.01 4.10 5xinC1 GLY 27 HA3 0.04 0.09 0.33 -0.51 4.01 3.95 5xinC1 ASP 28 H -0.01 0.11 0.15 -0.55 8.40 8.09 5xinC1 ASP 28 HA -0.03 0.04 0.47 -0.75 4.63 4.35 5xinC1 ASP 28 HB2 -0.03 0.05 0.03 -0.04 2.71 2.72 5xinC1 ASP 28 HB3 -0.04 0.02 0.11 -0.04 2.70 2.75 5xinC1 ALA 29 H -0.07 0.03 0.15 -0.55 8.40 7.97 5xinC1 ALA 29 HA -0.22 0.09 -0.04 -0.75 4.34 3.41 5xinC1 ALA 29 HB3 -0.11 0.02 0.08 -0.04 1.41 1.35 5xinC1 THR 30 H -0.25 0.38 0.29 -0.55 8.28 8.15 5xinC1 THR 30 HA -0.09 0.12 0.89 -0.75 4.39 4.57 5xinC1 THR 30 HB -0.09 -0.08 0.15 -0.04 4.32 4.26 5xinC1 THR 30 HG23 -0.09 0.02 -0.01 -0.04 1.22 1.09 5xinC1 ARG 31 H -0.18 0.36 0.14 -0.55 8.46 8.23 5xinC1 ARG 31 HA -0.07 0.06 0.81 -0.75 4.34 4.39 5xinC1 ARG 31 HB2 -0.28 0.00 -0.01 -0.04 1.90 1.57 5xinC1 ARG 31 HB3 -0.29 0.05 0.01 -0.04 1.80 1.53 5xinC1 ARG 31 HG2 -0.27 -0.10 0.05 -0.04 1.67 1.31 5xinC1 ARG 31 HG3 -0.27 0.09 -0.26 -0.04 1.67 1.19 5xinC1 ARG 31 HD2 -1.26 -0.09 -0.14 -0.04 3.22 1.69 5xinC1 ARG 31 HD3 -0.49 -0.05 -0.30 -0.04 3.22 2.34 5xinC1 THR 32 H 0.16 0.05 0.11 -0.55 8.28 8.06 5xinC1 THR 32 HA 0.04 0.10 0.59 -0.75 4.39 4.37 5xinC1 THR 32 HB 0.06 -0.01 0.12 -0.04 4.32 4.44 5xinC1 THR 32 HG23 0.04 0.00 -0.01 -0.04 1.22 1.22 5xinC1 ALA 33 H 0.06 0.05 0.13 -0.55 8.40 8.09 5xinC1 ALA 33 HA 0.10 0.10 0.42 -0.75 4.34 4.21 5xinC1 ALA 33 HB3 0.05 0.01 0.08 -0.04 1.41 1.52 5xinC1 LEU 34 H 0.14 0.22 0.19 -0.55 8.37 8.38 5xinC1 LEU 34 HA 0.01 0.07 0.77 -0.75 4.35 4.45 5xinC1 LEU 34 HB2 0.26 0.10 0.01 -0.04 1.64 1.97 5xinC1 LEU 34 HB3 0.19 0.01 0.12 -0.04 1.64 1.91 5xinC1 LEU 34 HG 0.18 0.02 -0.33 -0.04 1.64 1.47 5xinC1 LEU 34 HD13 0.17 -0.03 -0.02 -0.04 0.93 1.00 5xinC1 LEU 34 HD23 0.29 0.03 -0.20 -0.04 0.89 0.96 5xinC1 ASP 35 H 0.04 0.14 0.14 -0.55 8.40 8.17 5xinC1 ASP 35 HA 0.06 0.22 0.62 -0.75 4.63 4.78 5xinC1 ASP 35 HB2 0.03 0.10 0.09 -0.04 2.71 2.89 5xinC1 ASP 35 HB3 0.03 -0.01 0.18 -0.04 2.70 2.86 5xinC1 PRO 36 HA 0.15 0.08 0.41 -0.51 4.44 4.56 5xinC1 PRO 36 HB2 0.10 0.04 0.04 -0.04 2.28 2.43 5xinC1 PRO 36 HB3 -0.02 0.05 0.09 -0.04 2.02 2.10 5xinC1 PRO 36 HG2 -0.01 0.13 0.16 -0.04 2.03 2.26 5xinC1 PRO 36 HG3 0.02 0.16 0.15 -0.04 2.03 2.32 5xinC1 PRO 36 HD2 0.06 0.06 0.25 -0.04 3.68 4.00 5xinC1 PRO 36 HD3 0.06 0.27 0.36 -0.04 3.65 4.30 5xinC1 VAL 37 H 0.12 0.14 -0.13 -0.55 8.24 7.82 5xinC1 VAL 37 HA 0.11 0.15 0.45 -0.75 4.13 4.09 5xinC1 VAL 37 HB 0.10 -0.05 0.06 -0.04 2.12 2.18 5xinC1 VAL 37 HG13 0.18 0.03 -0.08 -0.04 0.97 1.05 5xinC1 VAL 37 HG23 0.11 0.03 -0.06 -0.04 0.95 0.99 5xinC1 GLU 38 H 0.10 0.02 -0.29 -0.55 8.60 7.88 5xinC1 GLU 38 HA 0.08 0.08 0.41 -0.75 4.29 4.11 5xinC1 GLU 38 HB2 0.05 -0.12 0.13 -0.04 2.09 2.12 5xinC1 GLU 38 HB3 0.08 0.14 0.12 -0.04 1.99 2.29 5xinC1 GLU 38 HG2 -0.03 0.01 0.05 -0.04 2.34 2.33 5xinC1 GLU 38 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 5xinC1 ALA 39 H 0.15 0.53 -0.09 -0.55 8.40 8.44 5xinC1 ALA 39 HA 0.28 -0.00 0.34 -0.75 4.34 4.21 5xinC1 ALA 39 HB3 0.23 0.03 0.01 -0.04 1.41 1.63 5xinC1 VAL 40 H 0.09 0.47 -0.25 -0.55 8.24 8.00 5xinC1 VAL 40 HA 0.01 0.01 0.33 -0.75 4.13 3.73 5xinC1 VAL 40 HB -0.15 0.09 0.14 -0.04 2.12 2.16 5xinC1 VAL 40 HG13 -0.30 -0.01 -0.31 -0.04 0.97 0.31 5xinC1 VAL 40 HG23 -0.06 0.06 0.02 -0.04 0.95 0.93 5xinC1 HIS 41 H -0.01 0.40 -0.23 -0.55 8.41 8.03 5xinC1 HIS 41 HA -0.07 0.09 0.46 -0.75 4.63 4.35 5xinC1 HIS 41 HB2 -0.08 0.03 0.20 -0.04 3.26 3.38 5xinC1 HIS 41 HB3 -0.10 -0.04 0.01 -0.04 3.20 3.03 5xinC1 HIS 41 HD2 -0.05 0.03 0.01 -0.04 6.97 6.91 5xinC1 HIS 41 HE1 -0.03 -0.06 0.00 -0.04 7.75 7.61 5xinC1 LYS 42 H -0.13 0.70 0.03 -0.55 8.42 8.47 5xinC1 LYS 42 HA -0.39 0.04 0.44 -0.75 4.32 3.65 5xinC1 LYS 42 HB2 -0.72 0.05 0.11 -0.04 1.87 1.27 5xinC1 LYS 42 HB3 -1.95 -0.05 -0.04 -0.04 1.79 -0.29 5xinC1 LYS 42 HG2 -0.43 0.05 0.03 -0.04 1.46 1.07 5xinC1 LYS 42 HG3 -1.00 -0.07 -0.03 -0.04 1.46 0.32 5xinC1 LYS 42 HD2 -1.40 -0.01 0.03 -0.04 1.69 0.26 5xinC1 LYS 42 HD3 -0.55 0.04 0.02 -0.04 1.68 1.15 5xinC1 LYS 42 HE2 -0.34 -0.00 -0.01 -0.04 2.99 2.59 5xinC1 LYS 42 HE3 -0.64 -0.04 -0.01 -0.04 2.99 2.26 5xinC1 LEU 43 H -0.07 0.71 -0.11 -0.55 8.37 8.36 5xinC1 LEU 43 HA -0.03 -0.04 0.46 -0.75 4.35 3.98 5xinC1 LEU 43 HB2 0.06 0.13 0.06 -0.04 1.64 1.85 5xinC1 LEU 43 HB3 0.11 -0.04 -0.04 -0.04 1.64 1.62 5xinC1 LEU 43 HG 0.21 0.05 0.04 -0.04 1.64 1.91 5xinC1 LEU 43 HD13 0.18 -0.02 -0.12 -0.04 0.93 0.92 5xinC1 LEU 43 HD23 -0.21 -0.03 -0.03 -0.04 0.89 0.59 5xinC1 ALA 44 H -0.05 0.53 -0.21 -0.55 8.40 8.12 5xinC1 ALA 44 HA 0.02 0.15 0.39 -0.75 4.34 4.15 5xinC1 ALA 44 HB3 -0.05 0.06 0.13 -0.04 1.41 1.51 5xinC1 GLU 45 H -0.06 0.31 -0.35 -0.55 8.60 7.95 5xinC1 GLU 45 HA -0.02 0.05 0.48 -0.75 4.29 4.05 5xinC1 GLU 45 HB2 -0.08 0.07 0.14 -0.04 2.09 2.19 5xinC1 GLU 45 HB3 -0.15 0.17 0.17 -0.04 1.99 2.15 5xinC1 GLU 45 HG2 -0.07 -0.01 -0.06 -0.04 2.34 2.16 5xinC1 GLU 45 HG3 -0.06 -0.03 0.05 -0.04 2.34 2.26 5xinC1 ILE 46 H -0.03 0.30 -0.12 -0.55 8.25 7.85 5xinC1 ILE 46 HA 0.02 0.10 0.62 -0.75 4.18 4.16 5xinC1 ILE 46 HB 0.04 -0.06 0.14 -0.04 1.89 1.98 5xinC1 ILE 46 HG12 0.01 0.17 0.10 -0.04 1.49 1.73 5xinC1 ILE 46 HG13 0.09 -0.02 -0.26 -0.04 1.21 0.98 5xinC1 ILE 46 HG23 0.01 0.05 0.04 -0.04 0.93 0.99 5xinC1 ILE 46 HD13 -0.12 -0.05 -0.11 -0.04 0.88 0.57 5xinC1 GLY 47 H 0.07 0.32 -0.43 -0.55 8.43 7.84 5xinC1 GLY 47 HA2 0.11 0.11 0.19 -0.51 4.01 3.91 5xinC1 GLY 47 HA3 0.15 0.05 0.73 -0.51 4.01 4.44 5xinC1 ALA 48 H 0.19 0.31 0.04 -0.55 8.40 8.40 5xinC1 ALA 48 HA 0.44 0.05 0.46 -0.75 4.34 4.54 5xinC1 ALA 48 HB3 0.40 -0.02 -0.02 -0.04 1.41 1.73 5xinC1 TYR 49 H 0.48 0.59 0.38 -0.55 8.29 9.19 5xinC1 TYR 49 HA 0.05 0.21 0.79 -0.75 4.56 4.85 5xinC1 TYR 49 HB2 -0.00 0.00 0.22 -0.04 3.06 3.24 5xinC1 TYR 49 HB3 0.01 -0.07 0.19 -0.04 2.98 3.07 5xinC1 TYR 49 HD2 0.00 0.13 -0.11 -0.04 7.15 7.13 5xinC1 TYR 49 HE2 -0.04 -0.02 -0.19 -0.04 6.85 6.57 5xinC1 GLY 50 H 0.15 0.20 0.24 -0.55 8.43 8.48 5xinC1 GLY 50 HA2 -0.18 0.25 0.86 -0.51 4.01 4.43 5xinC1 GLY 50 HA3 -0.40 -0.00 0.26 -0.51 4.01 3.35 5xinC1 ILE 51 H 0.04 0.75 0.42 -0.55 8.25 8.91 5xinC1 ILE 51 HA 0.22 0.15 0.97 -0.75 4.18 4.78 5xinC1 ILE 51 HB 0.15 0.01 -0.11 -0.04 1.89 1.90 5xinC1 ILE 51 HG12 0.34 -0.00 -0.02 -0.04 1.49 1.77 5xinC1 ILE 51 HG13 0.23 0.10 0.13 -0.04 1.21 1.64 5xinC1 ILE 51 HG23 0.24 0.02 -0.10 -0.04 0.93 1.05 5xinC1 ILE 51 HD13 0.24 -0.02 -0.11 -0.04 0.88 0.95 5xinC1 THR 52 H 0.24 0.36 0.38 -0.55 8.28 8.71 5xinC1 THR 52 HA 0.23 0.37 0.92 -0.75 4.39 5.16 5xinC1 THR 52 HB 0.09 0.06 -0.06 -0.04 4.32 4.36 5xinC1 THR 52 HG23 0.03 0.00 -0.29 -0.04 1.22 0.92 5xinC1 PHE 53 H -0.04 0.38 0.28 -0.55 8.34 8.40 5xinC1 PHE 53 HA 0.70 -0.11 0.59 -0.75 4.62 5.04 5xinC1 PHE 53 HB2 0.19 0.00 0.10 -0.04 3.15 3.40 5xinC1 PHE 53 HB3 0.18 0.13 -0.16 -0.04 3.06 3.17 5xinC1 PHE 53 HD2 0.11 0.14 -0.36 -0.04 7.28 7.13 5xinC1 PHE 53 HE2 0.10 0.05 -0.07 -0.04 7.38 7.41 5xinC1 PHE 53 HZ 0.04 0.07 -0.09 -0.04 7.32 7.30 5xinC1 HIS 54 H 0.55 0.07 0.15 -0.55 8.41 8.64 5xinC1 HIS 54 HA -0.04 0.30 0.53 -0.75 4.63 4.66 5xinC1 HIS 54 HB2 0.05 -0.06 -0.03 -0.04 3.26 3.18 5xinC1 HIS 54 HB3 -0.04 -0.16 -0.01 -0.04 3.20 2.95 5xinC1 HIS 54 HD2 -0.01 0.04 -0.55 -0.04 6.97 6.41 5xinC1 HIS 54 HE1 -2.07 0.07 -0.12 -0.04 7.75 5.59 5xinC1 ASP 55 H 0.11 0.26 0.35 -0.55 8.40 8.58 5xinC1 ASP 55 HA 0.30 0.15 0.42 -0.75 4.63 4.75 5xinC1 ASP 55 HB2 0.10 0.09 0.09 -0.04 2.71 2.95 5xinC1 ASP 55 HB3 0.08 0.13 0.22 -0.04 2.70 3.09 5xinC1 ASP 56 H 0.13 -0.05 -0.04 -0.55 8.40 7.90 5xinC1 ASP 56 HA 0.12 0.48 0.40 -0.75 4.63 4.88 5xinC1 ASP 56 HB2 0.03 -0.08 0.07 -0.04 2.71 2.69 5xinC1 ASP 56 HB3 0.12 0.01 0.16 -0.04 2.70 2.95 5xinC1 ASP 57 H 0.25 0.30 -0.60 -0.55 8.40 7.80 5xinC1 ASP 57 HA 0.17 0.12 0.52 -0.75 4.63 4.68 5xinC1 ASP 57 HB2 0.37 0.07 0.04 -0.04 2.71 3.15 5xinC1 ASP 57 HB3 0.30 0.07 -0.04 -0.04 2.70 2.99 5xinC1 LEU 58 H 0.11 0.26 -0.06 -0.55 8.37 8.14 5xinC1 LEU 58 HA -0.16 0.09 0.64 -0.75 4.35 4.17 5xinC1 LEU 58 HB2 -0.72 -0.05 0.04 -0.04 1.64 0.87 5xinC1 LEU 58 HB3 -0.24 0.06 0.14 -0.04 1.64 1.56 5xinC1 LEU 58 HG -0.34 -0.01 -0.23 -0.04 1.64 1.01 5xinC1 LEU 58 HD13 -0.83 0.00 0.00 -0.04 0.93 0.06 5xinC1 LEU 58 HD23 -1.03 0.01 -0.07 -0.04 0.89 -0.24 5xinC1 VAL 59 H 0.02 0.52 0.11 -0.55 8.24 8.34 5xinC1 VAL 59 HA -0.00 0.14 0.70 -0.75 4.13 4.21 5xinC1 VAL 59 HB 0.03 -0.01 0.10 -0.04 2.12 2.19 5xinC1 VAL 59 HG13 0.01 -0.00 -0.11 -0.04 0.97 0.82 5xinC1 VAL 59 HG23 -0.03 -0.00 -0.07 -0.04 0.95 0.80 5xinC1 PRO 60 HA 0.10 0.08 0.40 -0.51 4.44 4.50 5xinC1 PRO 60 HB2 0.07 0.02 -0.05 -0.04 2.28 2.27 5xinC1 PRO 60 HB3 0.08 0.03 0.06 -0.04 2.02 2.15 5xinC1 PRO 60 HG2 0.04 -0.00 0.04 -0.04 2.03 2.07 5xinC1 PRO 60 HG3 0.05 0.10 0.01 -0.04 2.03 2.15 5xinC1 PRO 60 HD2 0.02 0.00 0.15 -0.04 3.68 3.81 5xinC1 PRO 60 HD3 0.02 0.37 0.14 -0.04 3.65 4.14 5xinC1 PHE 61 H 0.23 0.12 0.20 -0.55 8.34 8.33 5xinC1 PHE 61 HA 0.05 -0.02 0.42 -0.75 4.62 4.32 5xinC1 PHE 61 HB2 0.06 -0.03 0.18 -0.04 3.15 3.33 5xinC1 PHE 61 HB3 0.07 0.03 0.12 -0.04 3.06 3.23 5xinC1 PHE 61 HD2 0.08 0.01 -0.10 -0.04 7.28 7.23 5xinC1 PHE 61 HE2 0.05 0.01 -0.01 -0.04 7.38 7.39 5xinC1 PHE 61 HZ -0.31 0.00 -0.01 -0.04 7.32 6.96 5xinC1 GLY 62 H -0.52 0.07 0.20 -0.55 8.43 7.64 5xinC1 GLY 62 HA2 -0.28 -0.00 0.30 -0.51 4.01 3.52 5xinC1 GLY 62 HA3 -0.06 0.05 0.44 -0.51 4.01 3.93 5xinC1 SER 63 H -0.04 0.35 -0.07 -0.55 8.46 8.15 5xinC1 SER 63 HA 0.00 0.01 0.49 -0.75 4.49 4.23 5xinC1 SER 63 HB2 -0.01 -0.02 0.02 -0.04 3.95 3.91 5xinC1 SER 63 HB3 0.00 -0.09 0.01 -0.04 3.93 3.81 5xinC1 ASP 64 H -0.00 0.08 0.21 -0.55 8.40 8.14 5xinC1 ASP 64 HA -0.01 0.16 0.53 -0.75 4.63 4.55 5xinC1 ASP 64 HB2 0.00 -0.02 0.16 -0.04 2.71 2.81 5xinC1 ASP 64 HB3 -0.00 0.14 0.15 -0.04 2.70 2.95 5xinC1 ALA 65 H -0.00 0.21 0.16 -0.55 8.40 8.23 5xinC1 ALA 65 HA 0.00 0.10 0.36 -0.75 4.34 4.06 5xinC1 ALA 65 HB3 0.01 0.04 0.09 -0.04 1.41 1.51 5xinC1 GLN 66 H 0.01 0.07 -0.17 -0.55 8.47 7.83 5xinC1 GLN 66 HA 0.01 0.14 0.37 -0.75 4.36 4.12 5xinC1 THR 67 H 0.01 0.04 -0.23 -0.55 8.28 7.55 5xinC1 THR 67 HA 0.01 0.08 0.40 -0.75 4.39 4.12 5xinC1 THR 67 HB 0.01 0.07 0.11 -0.04 4.32 4.47 5xinC1 THR 67 HG23 0.01 0.02 -0.03 -0.04 1.22 1.18 5xinC1 ARG 68 H 0.00 0.65 -0.09 -0.55 8.46 8.48 5xinC1 ARG 68 HA 0.00 0.01 0.36 -0.75 4.34 3.96 5xinC1 ARG 68 HB2 -0.00 0.05 -0.07 -0.04 1.90 1.83 5xinC1 ARG 68 HB3 0.01 0.00 0.02 -0.04 1.80 1.79 5xinC1 ARG 68 HG2 0.02 0.03 -0.20 -0.04 1.67 1.47 5xinC1 ARG 68 HG3 0.01 -0.04 -0.01 -0.04 1.67 1.59 5xinC1 ARG 68 HD2 -0.00 0.02 -0.07 -0.04 3.22 3.12 5xinC1 ARG 68 HD3 0.01 -0.01 -0.07 -0.04 3.22 3.11 5xinC1 ASP 69 H 0.01 0.75 -0.20 -0.55 8.40 8.41 5xinC1 ASP 69 HA 0.02 -0.00 0.39 -0.75 4.63 4.29 5xinC1 ASP 69 HB2 0.02 0.14 0.20 -0.04 2.71 3.02 5xinC1 ASP 69 HB3 0.02 -0.04 0.00 -0.04 2.70 2.64 5xinC1 GLY 70 H 0.02 0.48 -0.19 -0.55 8.43 8.19 5xinC1 GLY 70 HA2 0.02 0.00 0.43 -0.51 4.01 3.96 5xinC1 GLY 70 HA3 0.02 0.04 0.36 -0.51 4.01 3.91 5xinC1 ILE 71 H 0.01 0.56 -0.04 -0.55 8.25 8.23 5xinC1 ILE 71 HA 0.03 -0.02 0.45 -0.75 4.18 3.88 5xinC1 ILE 71 HB -0.01 0.10 0.13 -0.04 1.89 2.07 5xinC1 ILE 71 HG12 0.01 -0.06 0.07 -0.04 1.49 1.46 5xinC1 ILE 71 HG13 0.01 0.10 0.09 -0.04 1.21 1.37 5xinC1 ILE 71 HG23 -0.06 0.04 -0.12 -0.04 0.93 0.74 5xinC1 ILE 71 HD13 0.00 0.02 0.05 -0.04 0.88 0.91 5xinC1 ILE 72 H 0.02 0.54 -0.10 -0.55 8.25 8.16 5xinC1 ILE 72 HA 0.08 0.00 0.44 -0.75 4.18 3.95 5xinC1 ILE 72 HB 0.04 0.08 0.10 -0.04 1.89 2.08 5xinC1 ILE 72 HG12 0.01 -0.05 0.00 -0.04 1.49 1.42 5xinC1 ILE 72 HG13 0.00 0.05 0.08 -0.04 1.21 1.30 5xinC1 ILE 72 HG23 0.09 0.00 -0.10 -0.04 0.93 0.88 5xinC1 ILE 72 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.77 5xinC1 ALA 73 H 0.04 0.49 -0.17 -0.55 8.40 8.22 5xinC1 ALA 73 HA 0.04 0.04 0.44 -0.75 4.34 4.11 5xinC1 ALA 73 HB3 0.03 0.04 0.14 -0.04 1.41 1.57 5xinC1 GLY 74 H 0.06 0.47 -0.13 -0.55 8.43 8.27 5xinC1 GLY 74 HA2 0.04 0.03 0.40 -0.51 4.01 3.97 5xinC1 GLY 74 HA3 0.06 0.03 0.32 -0.51 4.01 3.91 5xinC1 PHE 75 H 0.18 0.54 -0.13 -0.55 8.34 8.38 5xinC1 PHE 75 HA -0.04 -0.06 0.42 -0.75 4.62 4.19 5xinC1 PHE 75 HB2 -0.08 0.04 0.10 -0.04 3.15 3.18 5xinC1 PHE 75 HB3 -0.07 0.14 0.17 -0.04 3.06 3.26 5xinC1 PHE 75 HD2 -0.08 -0.02 -0.09 -0.04 7.28 7.05 5xinC1 PHE 75 HE2 -0.03 0.03 -0.08 -0.04 7.38 7.25 5xinC1 PHE 75 HZ 0.00 0.00 -0.13 -0.04 7.32 7.15 5xinC1 LYS 76 H 0.08 0.72 -0.02 -0.55 8.42 8.64 5xinC1 LYS 76 HA -0.15 0.05 0.40 -0.75 4.32 3.87 5xinC1 LYS 76 HB2 0.00 0.08 0.11 -0.04 1.87 2.02 5xinC1 LYS 76 HB3 -0.02 -0.00 0.06 -0.04 1.79 1.79 5xinC1 LYS 76 HG2 0.09 -0.07 0.06 -0.04 1.46 1.50 5xinC1 LYS 76 HG3 0.07 0.18 -0.01 -0.04 1.46 1.66 5xinC1 LYS 76 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.65 5xinC1 LYS 76 HD3 0.03 0.07 -0.00 -0.04 1.68 1.74 5xinC1 LYS 76 HE2 0.06 -0.01 -0.07 -0.04 2.99 2.93 5xinC1 LYS 76 HE3 0.05 -0.07 -0.11 -0.04 2.99 2.82 5xinC1 LYS 77 H -0.02 0.39 -0.34 -0.55 8.42 7.89 5xinC1 LYS 77 HA -0.03 0.03 0.47 -0.75 4.32 4.03 5xinC1 LYS 77 HB2 0.00 0.12 0.17 -0.04 1.87 2.12 5xinC1 LYS 77 HB3 0.00 0.12 0.16 -0.04 1.79 2.03 5xinC1 LYS 77 HG2 0.00 -0.03 -0.01 -0.04 1.46 1.38 5xinC1 LYS 77 HG3 -0.00 -0.01 0.06 -0.04 1.46 1.47 5xinC1 LYS 77 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 5xinC1 LYS 77 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 5xinC1 LYS 77 HE2 0.01 0.00 -0.02 -0.04 2.99 2.95 5xinC1 LYS 77 HE3 0.01 0.00 -0.00 -0.04 2.99 2.96 5xinC1 ALA 78 H -0.09 0.47 -0.09 -0.55 8.40 8.14 5xinC1 ALA 78 HA -0.09 0.00 0.45 -0.75 4.34 3.95 5xinC1 ALA 78 HB3 -0.18 0.01 0.15 -0.04 1.41 1.35 5xinC1 LEU 79 H -0.31 0.46 -0.18 -0.55 8.37 7.80 5xinC1 LEU 79 HA -0.25 -0.03 0.40 -0.75 4.35 3.71 5xinC1 LEU 79 HB2 -0.22 0.12 0.20 -0.04 1.64 1.70 5xinC1 LEU 79 HB3 -0.18 0.21 0.06 -0.04 1.64 1.69 5xinC1 LEU 79 HG -0.88 0.09 -0.00 -0.04 1.64 0.80 5xinC1 LEU 79 HD13 -0.27 -0.03 -0.06 -0.04 0.93 0.53 5xinC1 LEU 79 HD23 -0.29 -0.00 -0.15 -0.04 0.89 0.40 5xinC1 ASP 80 H -0.12 0.51 -0.13 -0.55 8.40 8.12 5xinC1 ASP 80 HA -0.06 0.02 0.41 -0.75 4.63 4.25 5xinC1 ASP 80 HB2 -0.06 0.18 0.33 -0.04 2.71 3.12 5xinC1 ASP 80 HB3 -0.04 -0.01 0.11 -0.04 2.70 2.72 5xinC1 GLU 81 H -0.06 0.52 -0.09 -0.55 8.60 8.43 5xinC1 GLU 81 HA -0.01 0.01 0.48 -0.75 4.29 4.01 5xinC1 GLU 81 HB2 -0.00 0.06 0.16 -0.04 2.09 2.27 5xinC1 GLU 81 HB3 0.07 -0.06 -0.02 -0.04 1.99 1.93 5xinC1 GLU 81 HG2 0.02 -0.05 0.05 -0.04 2.34 2.31 5xinC1 GLU 81 HG3 0.00 0.18 0.10 -0.04 2.34 2.58 5xinC1 THR 82 H -0.12 0.50 -0.10 -0.55 8.28 8.01 5xinC1 THR 82 HA -0.03 0.07 0.68 -0.75 4.39 4.36 5xinC1 THR 82 HB -0.10 -0.03 0.06 -0.04 4.32 4.21 5xinC1 THR 82 HG23 -0.35 -0.01 -0.06 -0.04 1.22 0.76 5xinC1 GLY 83 H -0.07 0.54 -0.08 -0.55 8.43 8.28 5xinC1 GLY 83 HA2 -0.04 0.02 0.28 -0.51 4.01 3.76 5xinC1 GLY 83 HA3 -0.02 0.04 0.56 -0.51 4.01 4.08 5xinC1 LEU 84 H -0.09 0.11 0.00 -0.55 8.37 7.84 5xinC1 LEU 84 HA -0.07 0.28 0.63 -0.75 4.35 4.43 5xinC1 LEU 84 HB2 -0.11 -0.06 0.03 -0.04 1.64 1.47 5xinC1 LEU 84 HB3 -0.09 -0.06 -0.11 -0.04 1.64 1.33 5xinC1 LEU 84 HG -0.02 -0.02 -0.48 -0.04 1.64 1.08 5xinC1 LEU 84 HD13 0.00 0.06 -0.21 -0.04 0.93 0.75 5xinC1 LEU 84 HD23 0.00 -0.03 -0.17 -0.04 0.89 0.65 5xinC1 ILE 85 H -0.19 0.49 0.40 -0.55 8.25 8.40 5xinC1 ILE 85 HA -0.09 0.20 0.82 -0.75 4.18 4.37 5xinC1 ILE 85 HB -0.10 0.01 0.05 -0.04 1.89 1.81 5xinC1 ILE 85 HG12 -0.45 0.18 0.06 -0.04 1.49 1.24 5xinC1 ILE 85 HG13 -0.38 -0.15 -0.25 -0.04 1.21 0.40 5xinC1 ILE 85 HG23 -0.07 0.04 -0.09 -0.04 0.93 0.77 5xinC1 ILE 85 HD13 -0.16 0.00 -0.09 -0.04 0.88 0.59 5xinC1 VAL 86 H -0.04 0.33 0.05 -0.55 8.24 8.03 5xinC1 VAL 86 HA 0.06 0.34 0.99 -0.75 4.13 4.77 5xinC1 VAL 86 HB 0.08 0.11 0.13 -0.04 2.12 2.40 5xinC1 VAL 86 HG13 0.15 -0.03 -0.05 -0.04 0.97 1.00 5xinC1 VAL 86 HG23 0.25 -0.01 -0.09 -0.04 0.95 1.07 5xinC1 PRO 87 HA -0.03 0.17 0.57 -0.51 4.44 4.64 5xinC1 PRO 87 HB2 0.08 0.00 -0.06 -0.04 2.28 2.26 5xinC1 PRO 87 HB3 0.02 0.10 0.04 -0.04 2.02 2.14 5xinC1 PRO 87 HG2 0.06 -0.05 -0.09 -0.04 2.03 1.90 5xinC1 PRO 87 HG3 -0.17 0.06 -0.10 -0.04 2.03 1.78 5xinC1 PRO 87 HD2 0.02 0.23 0.12 -0.04 3.68 4.00 5xinC1 PRO 87 HD3 -0.15 0.21 -0.26 -0.04 3.65 3.41 5xinC1 MET 88 H -0.02 0.28 -0.03 -0.55 8.47 8.15 5xinC1 MET 88 HA -0.12 0.31 0.81 -0.75 4.52 4.77 5xinC1 MET 88 HB2 -0.16 0.11 -0.26 -0.04 2.15 1.81 5xinC1 MET 88 HB3 -0.15 -0.10 -0.12 -0.04 2.03 1.63 5xinC1 MET 88 HG2 -0.26 0.12 -0.13 -0.04 2.63 2.32 5xinC1 MET 88 HG3 -0.76 -0.02 -0.20 -0.04 2.56 1.54 5xinC1 MET 88 HE3 -0.23 -0.02 -0.24 -0.04 2.10 1.57 5xinC1 VAL 89 H -0.16 0.62 0.38 -0.55 8.24 8.53 5xinC1 VAL 89 HA -0.35 0.03 0.89 -0.75 4.13 3.94 5xinC1 VAL 89 HB -0.51 -0.02 0.18 -0.04 2.12 1.74 5xinC1 VAL 89 HG13 -0.38 0.01 -0.10 -0.04 0.97 0.45 5xinC1 VAL 89 HG23 -0.15 0.02 -0.09 -0.04 0.95 0.69 5xinC1 THR 90 H -0.31 0.56 0.40 -0.55 8.28 8.38 5xinC1 THR 90 HA -0.08 0.25 0.73 -0.75 4.39 4.54 5xinC1 THR 90 HB -0.17 0.04 -0.23 -0.04 4.32 3.92 5xinC1 THR 90 HG23 -0.77 -0.04 -0.27 -0.04 1.22 0.10 5xinC1 THR 91 H -0.00 0.34 0.25 -0.55 8.28 8.32 5xinC1 THR 91 HA 0.02 -0.03 1.07 -0.75 4.39 4.70 5xinC1 THR 91 HB -0.05 0.00 -0.00 -0.04 4.32 4.23 5xinC1 THR 91 HG23 -0.06 0.02 -0.22 -0.04 1.22 0.93 5xinC1 ASN 92 H 0.01 0.08 0.20 -0.55 8.53 8.28 5xinC1 ASN 92 HA -0.35 0.14 0.69 -0.75 4.76 4.50 5xinC1 ASN 92 HB2 -0.33 -0.00 0.09 -0.04 2.88 2.59 5xinC1 ASN 92 HB3 -0.16 0.01 0.25 -0.04 2.79 2.85 5xinC1 ASN 92 HD21 -0.73 0.07 0.01 -0.04 7.03 6.33 5xinC1 ASN 92 HD22 -0.53 0.05 -0.02 -0.04 7.74 7.19 5xinC1 LEU 93 H -0.18 0.32 0.18 -0.55 8.37 8.14 5xinC1 LEU 93 HA -1.22 0.18 0.72 -0.75 4.35 3.28 5xinC1 LEU 93 HB2 -0.44 0.07 0.12 -0.04 1.64 1.36 5xinC1 LEU 93 HB3 -0.91 -0.06 0.20 -0.04 1.64 0.82 5xinC1 LEU 93 HG -0.36 -0.01 -0.28 -0.04 1.64 0.95 5xinC1 LEU 93 HD13 -0.80 -0.01 -0.01 -0.04 0.93 0.07 5xinC1 LEU 93 HD23 -0.56 0.05 -0.02 -0.04 0.89 0.32 5xinC1 PHE 94 H -0.59 -0.12 -0.13 -0.55 8.34 6.95 5xinC1 PHE 94 HA -0.06 0.30 0.79 -0.75 4.62 4.88 5xinC1 PHE 94 HB2 -0.05 0.12 -0.10 -0.04 3.15 3.09 5xinC1 PHE 94 HB3 -0.28 -0.03 -0.19 -0.04 3.06 2.52 5xinC1 PHE 94 HD2 0.02 0.04 -0.14 -0.04 7.28 7.16 5xinC1 PHE 94 HE2 0.07 0.06 -0.03 -0.04 7.38 7.44 5xinC1 PHE 94 HZ -0.64 0.01 -0.06 -0.04 7.32 6.59 5xinC1 THR 95 H -0.40 -0.12 0.03 -0.55 8.28 7.24 5xinC1 THR 95 HA 0.10 0.23 0.51 -0.75 4.39 4.47 5xinC1 THR 95 HB -0.14 -0.10 0.09 -0.04 4.32 4.13 5xinC1 THR 95 HG23 -0.05 0.03 -0.16 -0.04 1.22 1.00 5xinC1 HIS 96 H 0.11 -0.03 -0.04 -0.55 8.41 7.91 5xinC1 HIS 96 HA -0.21 0.18 0.43 -0.75 4.63 4.28 5xinC1 HIS 96 HB2 -0.40 0.01 0.09 -0.04 3.26 2.92 5xinC1 HIS 96 HB3 -0.26 -0.06 0.00 -0.04 3.20 2.85 5xinC1 HIS 96 HD2 -1.38 0.02 0.01 -0.04 6.97 5.58 5xinC1 HIS 96 HE1 -0.19 0.05 -0.02 -0.04 7.75 7.55 5xinC1 PRO 97 HA -0.07 0.15 0.34 -0.51 4.44 4.36 5xinC1 PRO 97 HB2 -0.17 -0.00 -0.01 -0.04 2.28 2.06 5xinC1 PRO 97 HB3 -0.12 0.06 0.09 -0.04 2.02 2.01 5xinC1 PRO 97 HG2 -0.33 0.04 0.07 -0.04 2.03 1.78 5xinC1 PRO 97 HG3 -0.21 0.12 0.10 -0.04 2.03 1.99 5xinC1 PRO 97 HD2 -1.65 0.05 0.18 -0.04 3.68 2.22 5xinC1 PRO 97 HD3 -0.52 0.20 0.23 -0.04 3.65 3.51 5xinC1 VAL 98 H 0.42 0.07 -0.37 -0.55 8.24 7.82 5xinC1 VAL 98 HA -0.09 0.08 0.41 -0.75 4.13 3.77 5xinC1 VAL 98 HB -0.21 -0.01 0.05 -0.04 2.12 1.90 5xinC1 VAL 98 HG13 -0.95 0.00 -0.14 -0.04 0.97 -0.15 5xinC1 VAL 98 HG23 -0.26 0.00 0.01 -0.04 0.95 0.67 5xinC1 PHE 99 H -0.10 0.50 -0.41 -0.55 8.34 7.79 5xinC1 PHE 99 HA -0.00 0.27 0.49 -0.75 4.62 4.63 5xinC1 PHE 99 HB2 -0.01 0.12 -0.32 -0.04 3.15 2.90 5xinC1 PHE 99 HB3 -0.04 0.04 -0.11 -0.04 3.06 2.90 5xinC1 PHE 99 HD2 -0.01 0.05 -0.18 -0.04 7.28 7.09 5xinC1 PHE 99 HE2 0.07 0.05 -0.00 -0.04 7.38 7.45 5xinC1 PHE 99 HZ -0.03 0.04 -0.05 -0.04 7.32 7.23 5xinC1 LYS 100 H 0.03 0.40 -0.52 -0.55 8.42 7.78 5xinC1 LYS 100 HA 0.04 0.10 0.27 -0.75 4.32 3.97 5xinC1 LYS 100 HB2 0.00 -0.03 0.09 -0.04 1.87 1.89 5xinC1 LYS 100 HB3 -0.00 0.06 0.11 -0.04 1.79 1.91 5xinC1 LYS 100 HG2 -0.00 0.03 0.05 -0.04 1.46 1.50 5xinC1 LYS 100 HG3 0.00 -0.05 -0.12 -0.04 1.46 1.25 5xinC1 LYS 100 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 5xinC1 LYS 100 HD3 -0.02 0.05 0.05 -0.04 1.68 1.72 5xinC1 LYS 100 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 5xinC1 LYS 100 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 5xinC1 ASP 101 H 0.04 0.13 -0.29 -0.55 8.40 7.73 5xinC1 ASP 101 HA -0.01 0.25 0.89 -0.75 4.63 5.01 5xinC1 ASP 101 HB2 0.01 -0.00 0.03 -0.04 2.71 2.71 5xinC1 ASP 101 HB3 0.01 -0.11 0.11 -0.04 2.70 2.67 5xinC1 GLY 102 H 0.04 0.49 -0.27 -0.55 8.43 8.14 5xinC1 GLY 102 HA2 -0.11 -0.08 -0.03 -0.51 4.01 3.27 5xinC1 GLY 102 HA3 -0.07 0.08 0.46 -0.51 4.01 3.96 5xinC1 GLY 103 H -0.24 0.00 -0.00 -0.55 8.43 7.64 5xinC1 GLY 103 HA2 0.20 0.21 0.69 -0.51 4.01 4.60 5xinC1 GLY 103 HA3 -0.42 0.02 0.35 -0.51 4.01 3.45 5xinC1 PHE 104 H -0.51 0.11 0.11 -0.55 8.34 7.50 5xinC1 PHE 104 HA -0.08 0.14 0.38 -0.75 4.62 4.31 5xinC1 PHE 104 HB2 -0.53 -0.05 0.01 -0.04 3.15 2.54 5xinC1 PHE 104 HB3 -0.18 0.12 -0.03 -0.04 3.06 2.93 5xinC1 PHE 104 HD2 -0.19 0.04 -0.03 -0.04 7.28 7.05 5xinC1 PHE 104 HE2 0.03 0.03 -0.21 -0.04 7.38 7.19 5xinC1 PHE 104 HZ 0.02 0.03 -0.08 -0.04 7.32 7.25 5xinC1 THR 105 H -0.10 -0.10 -0.36 -0.55 8.28 7.16 5xinC1 THR 105 HA 0.00 0.32 0.88 -0.75 4.39 4.84 5xinC1 THR 105 HB -0.02 -0.01 0.13 -0.04 4.32 4.38 5xinC1 THR 105 HG23 -0.11 -0.00 -0.16 -0.04 1.22 0.91 5xinC1 SER 106 H 0.02 0.21 -0.51 -0.55 8.46 7.64 5xinC1 SER 106 HA 0.01 0.28 0.23 -0.75 4.49 4.25 5xinC1 SER 106 HB2 0.07 0.33 -0.29 -0.04 3.95 4.02 5xinC1 SER 106 HB3 0.07 0.05 -0.13 -0.04 3.93 3.87 5xinC1 ASN 107 H 0.01 0.15 0.16 -0.55 8.53 8.31 5xinC1 ASN 107 HA 0.01 0.11 0.39 -0.75 4.76 4.51 5xinC1 ASN 107 HB2 0.01 -0.05 0.16 -0.04 2.88 2.96 5xinC1 ASN 107 HB3 0.01 -0.03 0.04 -0.04 2.79 2.78 5xinC1 ASN 107 HD21 0.02 0.39 0.23 -0.04 7.03 7.62 5xinC1 ASN 107 HD22 0.01 -0.09 0.11 -0.04 7.74 7.74 5xinC1 ASP 108 H 0.02 0.02 -0.22 -0.55 8.40 7.67 5xinC1 ASP 108 HA 0.01 0.07 0.55 -0.75 4.63 4.51 5xinC1 ASP 108 HB2 0.01 0.07 0.08 -0.04 2.71 2.83 5xinC1 ASP 108 HB3 0.02 0.00 0.10 -0.04 2.70 2.78 5xinC1 ARG 109 H 0.02 0.21 0.19 -0.55 8.46 8.32 5xinC1 ARG 109 HA 0.03 0.18 0.32 -0.75 4.34 4.12 5xinC1 ARG 109 HB2 0.02 0.11 0.12 -0.04 1.90 2.11 5xinC1 ARG 109 HB3 0.02 -0.03 0.15 -0.04 1.80 1.89 5xinC1 ARG 109 HG2 0.02 -0.04 -0.16 -0.04 1.67 1.45 5xinC1 ARG 109 HG3 0.02 0.02 0.06 -0.04 1.67 1.73 5xinC1 ARG 109 HD2 0.01 0.04 0.03 -0.04 3.22 3.25 5xinC1 ARG 109 HD3 0.01 -0.01 0.00 -0.04 3.22 3.18 5xinC1 SER 110 H 0.02 0.09 -0.15 -0.55 8.46 7.88 5xinC1 SER 110 HA 0.04 0.09 0.44 -0.75 4.49 4.31 5xinC1 SER 110 HB2 0.00 0.06 0.07 -0.04 3.95 4.04 5xinC1 SER 110 HB3 0.01 0.01 0.09 -0.04 3.93 3.99 5xinC1 VAL 111 H 0.04 0.20 -0.28 -0.55 8.24 7.65 5xinC1 VAL 111 HA 0.12 0.02 0.46 -0.75 4.13 3.97 5xinC1 VAL 111 HB 0.07 0.18 0.06 -0.04 2.12 2.39 5xinC1 VAL 111 HG13 0.15 0.03 -0.06 -0.04 0.97 1.05 5xinC1 VAL 111 HG23 -0.02 -0.03 0.04 -0.04 0.95 0.90 5xinC1 ARG 112 H 0.09 0.29 -0.27 -0.55 8.46 8.03 5xinC1 ARG 112 HA 0.16 0.17 0.39 -0.75 4.34 4.30 5xinC1 ARG 112 HB2 0.07 0.12 0.14 -0.04 1.90 2.19 5xinC1 ARG 112 HB3 0.08 -0.00 0.03 -0.04 1.80 1.87 5xinC1 ARG 112 HG2 0.08 -0.07 -0.19 -0.04 1.67 1.45 5xinC1 ARG 112 HG3 0.06 0.13 -0.12 -0.04 1.67 1.70 5xinC1 ARG 112 HD2 0.04 0.19 -0.05 -0.04 3.22 3.37 5xinC1 ARG 112 HD3 0.03 0.37 -0.23 -0.04 3.22 3.36 5xinC1 ARG 113 H 0.09 0.42 -0.14 -0.55 8.46 8.29 5xinC1 ARG 113 HA 0.06 0.04 0.38 -0.75 4.34 4.07 5xinC1 ARG 113 HB2 0.08 0.08 0.16 -0.04 1.90 2.17 5xinC1 ARG 113 HB3 0.06 -0.02 0.02 -0.04 1.80 1.82 5xinC1 ARG 113 HG2 0.03 -0.01 0.02 -0.04 1.67 1.67 5xinC1 ARG 113 HG3 0.04 0.17 0.07 -0.04 1.67 1.91 5xinC1 ARG 113 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.16 5xinC1 ARG 113 HD3 0.03 -0.05 -0.05 -0.04 3.22 3.11 5xinC1 TYR 114 H 0.23 0.49 -0.17 -0.55 8.29 8.28 5xinC1 TYR 114 HA 0.05 0.00 0.46 -0.75 4.56 4.31 5xinC1 TYR 114 HB2 0.01 0.04 0.12 -0.04 3.06 3.18 5xinC1 TYR 114 HB3 0.04 0.09 0.17 -0.04 2.98 3.24 5xinC1 TYR 114 HD2 -0.02 0.04 -0.03 -0.04 7.15 7.09 5xinC1 TYR 114 HE2 -0.12 -0.02 -0.04 -0.04 6.85 6.63 5xinC1 ALA 115 H 0.23 0.71 -0.24 -0.55 8.40 8.56 5xinC1 ALA 115 HA 0.02 -0.07 0.41 -0.75 4.34 3.96 5xinC1 ALA 115 HB3 0.12 0.05 0.00 -0.04 1.41 1.55 5xinC1 ILE 116 H 0.15 0.52 -0.18 -0.55 8.25 8.18 5xinC1 ILE 116 HA 0.21 -0.01 0.42 -0.75 4.18 4.05 5xinC1 ILE 116 HB 0.02 0.12 0.15 -0.04 1.89 2.14 5xinC1 ILE 116 HG12 -0.15 -0.07 0.03 -0.04 1.49 1.26 5xinC1 ILE 116 HG13 0.12 0.24 0.09 -0.04 1.21 1.63 5xinC1 ILE 116 HG23 -0.05 -0.01 -0.05 -0.04 0.93 0.78 5xinC1 ILE 116 HD13 -0.07 -0.00 -0.01 -0.04 0.88 0.76 5xinC1 ARG 117 H -0.01 0.49 -0.07 -0.55 8.46 8.32 5xinC1 ARG 117 HA -0.05 0.01 0.39 -0.75 4.34 3.94 5xinC1 ARG 117 HB2 -0.06 0.09 0.18 -0.04 1.90 2.07 5xinC1 ARG 117 HB3 -0.03 -0.04 0.03 -0.04 1.80 1.71 5xinC1 ARG 117 HG2 0.01 0.13 0.07 -0.04 1.67 1.84 5xinC1 ARG 117 HG3 0.03 -0.03 0.01 -0.04 1.67 1.64 5xinC1 ARG 117 HD2 -0.04 -0.02 0.01 -0.04 3.22 3.12 5xinC1 ARG 117 HD3 -0.01 0.01 -0.00 -0.04 3.22 3.18 5xinC1 LYS 118 H -0.20 0.63 -0.17 -0.55 8.42 8.12 5xinC1 LYS 118 HA -0.11 -0.02 0.41 -0.75 4.32 3.85 5xinC1 LYS 118 HB2 -0.45 0.07 0.12 -0.04 1.87 1.57 5xinC1 LYS 118 HB3 -0.15 0.11 0.11 -0.04 1.79 1.82 5xinC1 LYS 118 HG2 -0.03 -0.09 -0.04 -0.04 1.46 1.26 5xinC1 LYS 118 HG3 -0.06 -0.03 0.07 -0.04 1.46 1.41 5xinC1 LYS 118 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 5xinC1 LYS 118 HD3 0.12 0.03 0.02 -0.04 1.68 1.81 5xinC1 LYS 118 HE2 0.31 -0.03 0.05 -0.04 2.99 3.28 5xinC1 LYS 118 HE3 0.53 -0.05 0.07 -0.04 2.99 3.51 5xinC1 VAL 119 H 0.01 0.48 -0.19 -0.55 8.24 7.98 5xinC1 VAL 119 HA 0.04 -0.04 0.56 -0.75 4.13 3.93 5xinC1 VAL 119 HB 0.17 0.17 0.17 -0.04 2.12 2.58 5xinC1 VAL 119 HG13 0.21 -0.01 -0.11 -0.04 0.97 1.02 5xinC1 VAL 119 HG23 0.10 0.03 0.00 -0.04 0.95 1.05 5xinC1 LEU 120 H -0.00 0.71 0.05 -0.55 8.37 8.59 5xinC1 LEU 120 HA 0.03 0.04 0.40 -0.75 4.35 4.06 5xinC1 LEU 120 HB2 -0.10 0.08 0.17 -0.04 1.64 1.75 5xinC1 LEU 120 HB3 -0.29 -0.01 0.01 -0.04 1.64 1.31 5xinC1 LEU 120 HG -0.09 0.10 0.03 -0.04 1.64 1.63 5xinC1 LEU 120 HD13 -0.21 -0.02 -0.08 -0.04 0.93 0.58 5xinC1 LEU 120 HD23 -0.54 -0.00 -0.01 -0.04 0.89 0.29 5xinC1 ARG 121 H -0.00 0.51 -0.25 -0.55 8.46 8.17 5xinC1 ARG 121 HA 0.06 0.03 0.40 -0.75 4.34 4.08 5xinC1 ARG 121 HB2 -0.01 0.10 0.12 -0.04 1.90 2.07 5xinC1 ARG 121 HB3 0.00 0.12 0.09 -0.04 1.80 1.97 5xinC1 ARG 121 HG2 0.03 -0.03 -0.07 -0.04 1.67 1.57 5xinC1 ARG 121 HG3 0.03 -0.01 0.05 -0.04 1.67 1.71 5xinC1 ARG 121 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.18 5xinC1 ARG 121 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 5xinC1 GLN 122 H 0.04 0.35 -0.25 -0.55 8.47 8.06 5xinC1 GLN 122 HA 0.04 -0.00 0.51 -0.75 4.36 4.16 5xinC1 GLN 122 HB2 0.03 -0.06 0.15 -0.04 2.15 2.22 5xinC1 GLN 122 HB3 0.02 0.10 0.15 -0.04 2.02 2.25 5xinC1 GLN 122 HG2 -0.04 -0.02 -0.23 -0.04 2.40 2.07 5xinC1 GLN 122 HG3 -0.05 0.04 -0.18 -0.04 2.39 2.16 5xinC1 GLN 122 HE21 -0.37 -0.00 -0.07 -0.04 6.97 6.48 5xinC1 GLN 122 HE22 -0.34 0.00 0.13 -0.04 7.69 7.43 5xinC1 MET 123 H 0.10 0.53 -0.21 -0.55 8.47 8.34 5xinC1 MET 123 HA 0.03 0.01 0.35 -0.75 4.52 4.16 5xinC1 MET 123 HB2 0.28 0.19 0.19 -0.04 2.15 2.77 5xinC1 MET 123 HB3 0.36 0.00 -0.04 -0.04 2.03 2.32 5xinC1 MET 123 HG2 0.18 -0.01 -0.05 -0.04 2.63 2.71 5xinC1 MET 123 HG3 0.16 0.06 -0.04 -0.04 2.56 2.70 5xinC1 MET 123 HE3 0.51 0.07 -0.04 -0.04 2.10 2.60 5xinC1 ASP 124 H 0.15 0.44 -0.15 -0.55 8.40 8.29 5xinC1 ASP 124 HA -0.02 0.07 0.40 -0.75 4.63 4.32 5xinC1 ASP 124 HB2 0.11 0.11 0.13 -0.04 2.71 3.02 5xinC1 ASP 124 HB3 0.11 -0.02 0.01 -0.04 2.70 2.75 5xinC1 LEU 125 H 0.04 0.34 -0.21 -0.55 8.37 8.00 5xinC1 LEU 125 HA 0.04 0.04 0.47 -0.75 4.35 4.15 5xinC1 LEU 125 HB2 0.08 -0.02 0.10 -0.04 1.64 1.76 5xinC1 LEU 125 HB3 0.08 0.08 0.16 -0.04 1.64 1.93 5xinC1 LEU 125 HG 0.24 0.04 -0.22 -0.04 1.64 1.65 5xinC1 LEU 125 HD13 0.11 -0.01 0.03 -0.04 0.93 1.03 5xinC1 LEU 125 HD23 0.23 -0.03 -0.01 -0.04 0.89 1.04 5xinC1 GLY 126 H -0.03 0.56 -0.12 -0.55 8.43 8.29 5xinC1 GLY 126 HA2 -0.03 -0.02 0.36 -0.51 4.01 3.81 5xinC1 GLY 126 HA3 -0.09 0.06 0.23 -0.51 4.01 3.69 5xinC1 ALA 127 H -0.25 0.61 -0.17 -0.55 8.40 8.04 5xinC1 ALA 127 HA -0.27 0.17 0.43 -0.75 4.34 3.91 5xinC1 ALA 127 HB3 -0.94 0.03 0.12 -0.04 1.41 0.58 5xinC1 GLU 128 H -0.12 0.45 -0.19 -0.55 8.60 8.19 5xinC1 GLU 128 HA -0.03 -0.00 0.36 -0.75 4.29 3.86 5xinC1 GLU 128 HB2 -0.01 0.11 0.19 -0.04 2.09 2.34 5xinC1 GLU 128 HB3 0.03 0.09 0.07 -0.04 1.99 2.14 5xinC1 GLU 128 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 5xinC1 GLU 128 HG3 0.02 -0.03 0.04 -0.04 2.34 2.32 5xinC1 LEU 129 H 0.01 0.34 -0.25 -0.55 8.37 7.91 5xinC1 LEU 129 HA 0.04 0.09 0.69 -0.75 4.35 4.41 5xinC1 LEU 129 HB2 0.12 0.01 0.09 -0.04 1.64 1.81 5xinC1 LEU 129 HB3 0.13 -0.06 0.15 -0.04 1.64 1.81 5xinC1 LEU 129 HG 0.14 0.16 0.01 -0.04 1.64 1.91 5xinC1 LEU 129 HD13 0.45 -0.05 -0.07 -0.04 0.93 1.22 5xinC1 LEU 129 HD23 0.15 -0.01 -0.03 -0.04 0.89 0.96 5xinC1 GLY 130 H -0.04 0.37 -0.37 -0.55 8.43 7.84 5xinC1 GLY 130 HA2 -0.04 0.08 0.29 -0.51 4.01 3.83 5xinC1 GLY 130 HA3 -0.03 0.02 0.62 -0.51 4.01 4.11 5xinC1 ALA 131 H -0.05 0.41 0.02 -0.55 8.40 8.24 5xinC1 ALA 131 HA -0.05 0.28 0.41 -0.75 4.34 4.23 5xinC1 ALA 131 HB3 -0.08 -0.08 -0.17 -0.04 1.41 1.04 5xinC1 LYS 132 H -0.06 0.34 0.29 -0.55 8.42 8.43 5xinC1 LYS 132 HA -0.10 0.23 0.73 -0.75 4.32 4.43 5xinC1 LYS 132 HB2 -0.05 0.04 0.21 -0.04 1.87 2.03 5xinC1 LYS 132 HB3 -0.09 -0.04 0.04 -0.04 1.79 1.66 5xinC1 LYS 132 HG2 -0.06 0.04 0.04 -0.04 1.46 1.43 5xinC1 LYS 132 HG3 -0.05 0.11 0.03 -0.04 1.46 1.51 5xinC1 LYS 132 HD2 -0.03 -0.03 0.06 -0.04 1.69 1.65 5xinC1 LYS 132 HD3 -0.06 -0.02 0.03 -0.04 1.68 1.59 5xinC1 LYS 132 HE2 -0.04 -0.00 0.02 -0.04 2.99 2.93 5xinC1 LYS 132 HE3 -0.02 0.00 0.02 -0.04 2.99 2.95 5xinC1 THR 133 H -0.10 0.28 0.27 -0.55 8.28 8.18 5xinC1 THR 133 HA -0.18 0.31 1.10 -0.75 4.39 4.87 5xinC1 THR 133 HB -0.13 -0.13 0.02 -0.04 4.32 4.04 5xinC1 THR 133 HG23 -0.03 -0.03 -0.34 -0.04 1.22 0.78 5xinC1 LEU 134 H -0.22 0.73 0.31 -0.55 8.37 8.65 5xinC1 LEU 134 HA -0.10 0.20 0.94 -0.75 4.35 4.63 5xinC1 LEU 134 HB2 -0.13 0.03 -0.04 -0.04 1.64 1.45 5xinC1 LEU 134 HB3 -0.12 -0.00 0.11 -0.04 1.64 1.59 5xinC1 LEU 134 HG 0.12 0.05 -0.39 -0.04 1.64 1.38 5xinC1 LEU 134 HD13 0.01 0.02 -0.10 -0.04 0.93 0.82 5xinC1 LEU 134 HD23 0.36 -0.03 -0.12 -0.04 0.89 1.06 5xinC1 VAL 135 H -0.07 0.49 0.24 -0.55 8.24 8.35 5xinC1 VAL 135 HA 0.06 0.27 0.78 -0.75 4.13 4.48 5xinC1 VAL 135 HB -0.09 -0.05 -0.00 -0.04 2.12 1.94 5xinC1 VAL 135 HG13 0.08 -0.03 -0.24 -0.04 0.97 0.74 5xinC1 VAL 135 HG23 -0.21 0.02 -0.20 -0.04 0.95 0.51 5xinC1 LEU 136 H 0.19 0.74 0.26 -0.55 8.37 9.00 5xinC1 LEU 136 HA 0.16 0.08 0.87 -0.75 4.35 4.71 5xinC1 LEU 136 HB2 0.31 0.02 0.09 -0.04 1.64 2.02 5xinC1 LEU 136 HB3 0.27 -0.06 -0.02 -0.04 1.64 1.79 5xinC1 LEU 136 HG 0.25 0.08 -0.38 -0.04 1.64 1.55 5xinC1 LEU 136 HD13 0.43 0.03 -0.16 -0.04 0.93 1.19 5xinC1 LEU 136 HD23 0.44 -0.01 -0.07 -0.04 0.89 1.21 5xinC1 TRP 137 H 0.24 0.18 0.04 -0.55 7.97 7.89 5xinC1 TRP 137 HA 0.06 0.32 1.01 -0.75 4.62 5.26 5xinC1 TRP 137 HB2 0.04 0.05 -0.04 -0.04 3.23 3.24 5xinC1 TRP 137 HB3 0.00 -0.08 0.12 -0.04 3.23 3.23 5xinC1 TRP 137 HD1 0.05 0.30 -0.14 -0.04 7.22 7.39 5xinC1 TRP 137 HE1 -0.17 0.09 -0.25 -0.04 10.20 9.83 5xinC1 TRP 137 HE3 -0.44 -0.08 -0.01 -0.04 7.59 7.03 5xinC1 TRP 137 HZ2 -0.23 0.29 -0.01 -0.04 7.44 7.45 5xinC1 TRP 137 HZ3 -1.98 -0.06 -0.06 -0.04 7.13 4.98 5xinC1 TRP 137 HH2 -0.40 0.06 -0.02 -0.04 7.19 6.79 5xinC1 GLY 138 H -0.11 0.41 0.04 -0.55 8.43 8.23 5xinC1 GLY 138 HA2 -0.43 -0.01 0.54 -0.51 4.01 3.60 5xinC1 GLY 138 HA3 -0.22 0.08 0.36 -0.51 4.01 3.72 5xinC1 GLY 139 H -1.45 0.41 -0.22 -0.55 8.43 6.62 5xinC1 GLY 139 HA2 -1.35 0.16 0.17 -0.51 4.01 2.49 5xinC1 GLY 139 HA3 -2.34 0.02 0.17 -0.51 4.01 1.36 5xinC1 ARG 140 H -0.46 0.01 -0.22 -0.55 8.46 7.24 5xinC1 ARG 140 HA -0.18 0.21 0.67 -0.75 4.34 4.28 5xinC1 ARG 140 HB2 -0.14 -0.12 0.05 -0.04 1.90 1.65 5xinC1 ARG 140 HB3 -0.06 0.03 0.00 -0.04 1.80 1.73 5xinC1 ARG 140 HG2 -0.09 -0.19 -0.15 -0.04 1.67 1.20 5xinC1 ARG 140 HG3 0.05 0.08 0.03 -0.04 1.67 1.78 5xinC1 ARG 140 HD2 0.01 0.06 -0.06 -0.04 3.22 3.19 5xinC1 ARG 140 HD3 -0.05 -0.04 -0.09 -0.04 3.22 3.01 5xinC1 GLU 141 H -0.31 0.34 -0.38 -0.55 8.60 7.70 5xinC1 GLU 141 HA -0.14 0.10 0.46 -0.75 4.29 3.95 5xinC1 GLU 141 HB2 -0.15 0.18 0.19 -0.04 2.09 2.26 5xinC1 GLU 141 HB3 -0.16 0.01 0.02 -0.04 1.99 1.82 5xinC1 GLU 141 HG2 -0.36 -0.04 0.05 -0.04 2.34 1.95 5xinC1 GLU 141 HG3 -0.54 0.06 0.02 -0.04 2.34 1.84 5xinC1 GLY 142 H -0.08 0.40 0.18 -0.55 8.43 8.39 5xinC1 GLY 142 HA2 -0.06 -0.08 0.24 -0.51 4.01 3.60 5xinC1 GLY 142 HA3 -0.08 0.33 0.75 -0.51 4.01 4.51 5xinC1 ALA 143 H -0.07 0.69 0.27 -0.55 8.40 8.74 5xinC1 ALA 143 HA -0.07 0.14 0.64 -0.75 4.34 4.30 5xinC1 ALA 143 HB3 -0.03 0.01 -0.18 -0.04 1.41 1.17 5xinC1 GLU 144 H -0.20 0.14 0.23 -0.55 8.60 8.22 5xinC1 GLU 144 HA -0.28 0.15 1.03 -0.75 4.29 4.44 5xinC1 GLU 144 HB2 -0.88 0.01 0.12 -0.04 2.09 1.30 5xinC1 GLU 144 HB3 -0.85 0.05 0.12 -0.04 1.99 1.28 5xinC1 GLU 144 HG2 -0.19 0.07 0.06 -0.04 2.34 2.24 5xinC1 GLU 144 HG3 -0.20 -0.01 0.11 -0.04 2.34 2.20 5xinC1 TYR 145 H -0.17 0.07 0.16 -0.55 8.29 7.80 5xinC1 TYR 145 HA -0.00 0.23 0.85 -0.75 4.56 4.89 5xinC1 TYR 145 HB2 -0.00 -0.06 0.04 -0.04 3.06 2.99 5xinC1 TYR 145 HB3 -0.00 0.01 0.03 -0.04 2.98 2.99 5xinC1 TYR 145 HD2 -0.00 0.02 0.01 -0.04 7.15 7.14 5xinC1 TYR 145 HE2 -0.00 0.05 -0.01 -0.04 6.85 6.84 5xinC1 ASP 146 H 0.10 0.22 0.14 -0.55 8.40 8.30 5xinC1 ASP 146 HA 0.03 0.12 0.33 -0.75 4.63 4.35 5xinC1 ASP 146 HB2 0.04 -0.00 0.12 -0.04 2.71 2.83 5xinC1 ASP 146 HB3 0.03 0.05 0.04 -0.04 2.70 2.78 5xinC1 SER 147 H 0.08 0.07 -0.13 -0.55 8.46 7.93 5xinC1 SER 147 HA 0.03 0.18 0.49 -0.75 4.49 4.43 5xinC1 SER 147 HB2 0.02 0.05 0.11 -0.04 3.95 4.08 5xinC1 SER 147 HB3 0.02 0.00 0.06 -0.04 3.93 3.98 5xinC1 ALA 148 H 0.09 0.26 -0.45 -0.55 8.40 7.75 5xinC1 ALA 148 HA 0.04 0.12 0.54 -0.75 4.34 4.29 5xinC1 ALA 148 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 5xinC1 LYS 149 H 0.03 0.30 -0.18 -0.55 8.42 8.02 5xinC1 LYS 149 HA 0.01 0.12 0.83 -0.75 4.32 4.52 5xinC1 LYS 149 HB2 0.00 0.05 -0.18 -0.04 1.87 1.71 5xinC1 LYS 149 HB3 0.00 -0.02 -0.01 -0.04 1.79 1.72 5xinC1 LYS 149 HG2 -0.02 -0.01 -0.17 -0.04 1.46 1.23 5xinC1 LYS 149 HG3 0.00 -0.11 -0.44 -0.04 1.46 0.87 5xinC1 LYS 149 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 5xinC1 LYS 149 HD3 0.00 -0.07 0.03 -0.04 1.68 1.60 5xinC1 LYS 149 HE2 0.00 -0.05 0.00 -0.04 2.99 2.91 5xinC1 LYS 149 HE3 -0.02 0.24 0.13 -0.04 2.99 3.29 5xinC1 ASP 150 H 0.01 0.24 0.06 -0.55 8.40 8.17 5xinC1 ASP 150 HA 0.01 0.09 0.64 -0.75 4.63 4.62 5xinC1 ASP 150 HB2 0.01 0.12 0.07 -0.04 2.71 2.88 5xinC1 ASP 150 HB3 0.01 0.04 0.20 -0.04 2.70 2.92 5xinC1 VAL 151 H 0.01 0.33 0.15 -0.55 8.24 8.19 5xinC1 VAL 151 HA 0.01 0.07 0.33 -0.75 4.13 3.79 5xinC1 VAL 151 HB 0.02 -0.00 0.12 -0.04 2.12 2.21 5xinC1 VAL 151 HG13 0.02 0.01 -0.07 -0.04 0.97 0.88 5xinC1 VAL 151 HG23 0.00 0.06 -0.01 -0.04 0.95 0.97 5xinC1 SER 152 H 0.02 0.11 -0.12 -0.55 8.46 7.92 5xinC1 SER 152 HA 0.04 0.12 0.42 -0.75 4.49 4.31 5xinC1 SER 152 HB2 0.02 0.03 0.10 -0.04 3.95 4.06 5xinC1 SER 152 HB3 0.02 -0.04 0.07 -0.04 3.93 3.94 5xinC1 ALA 153 H 0.02 0.07 -0.18 -0.55 8.40 7.77 5xinC1 ALA 153 HA 0.03 0.07 0.46 -0.75 4.34 4.14 5xinC1 ALA 153 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 5xinC1 ALA 154 H 0.03 0.52 -0.23 -0.55 8.40 8.17 5xinC1 ALA 154 HA 0.03 0.06 0.46 -0.75 4.34 4.13 5xinC1 ALA 154 HB3 0.02 0.03 0.05 -0.04 1.41 1.47 5xinC1 LEU 155 H 0.06 0.59 -0.08 -0.55 8.37 8.39 5xinC1 LEU 155 HA 0.15 -0.03 0.47 -0.75 4.35 4.19 5xinC1 LEU 155 HB2 0.09 0.10 0.16 -0.04 1.64 1.95 5xinC1 LEU 155 HB3 0.20 0.01 0.05 -0.04 1.64 1.86 5xinC1 LEU 155 HG 0.04 0.20 0.06 -0.04 1.64 1.90 5xinC1 LEU 155 HD13 0.07 -0.02 -0.04 -0.04 0.93 0.90 5xinC1 LEU 155 HD23 -0.10 -0.02 -0.06 -0.04 0.89 0.67 5xinC1 ASP 156 H 0.07 0.46 -0.21 -0.55 8.40 8.17 5xinC1 ASP 156 HA 0.05 0.05 0.42 -0.75 4.63 4.40 5xinC1 ASP 156 HB2 0.03 0.16 0.21 -0.04 2.71 3.07 5xinC1 ASP 156 HB3 0.02 -0.04 -0.03 -0.04 2.70 2.61 5xinC1 ARG 157 H 0.06 0.58 -0.10 -0.55 8.46 8.44 5xinC1 ARG 157 HA 0.02 0.00 0.54 -0.75 4.34 4.15 5xinC1 ARG 157 HB2 0.04 0.08 0.15 -0.04 1.90 2.13 5xinC1 ARG 157 HB3 0.03 0.04 0.13 -0.04 1.80 1.96 5xinC1 ARG 157 HG2 0.03 0.17 0.09 -0.04 1.67 1.92 5xinC1 ARG 157 HG3 0.02 -0.00 -0.01 -0.04 1.67 1.64 5xinC1 ARG 157 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.16 5xinC1 ARG 157 HD3 0.02 -0.01 0.02 -0.04 3.22 3.21 5xinC1 TYR 158 H 0.20 0.53 -0.14 -0.55 8.29 8.32 5xinC1 TYR 158 HA 0.04 -0.05 0.36 -0.75 4.56 4.16 5xinC1 TYR 158 HB2 -0.03 0.15 0.06 -0.04 3.06 3.21 5xinC1 TYR 158 HB3 0.02 0.08 0.05 -0.04 2.98 3.09 5xinC1 TYR 158 HD2 -0.05 -0.01 -0.03 -0.04 7.15 7.01 5xinC1 TYR 158 HE2 0.05 0.04 -0.05 -0.04 6.85 6.86 5xinC1 ARG 159 H 0.24 0.62 -0.19 -0.55 8.46 8.58 5xinC1 ARG 159 HA -0.02 -0.02 0.41 -0.75 4.34 3.96 5xinC1 ARG 159 HB2 -0.05 0.03 0.08 -0.04 1.90 1.93 5xinC1 ARG 159 HB3 0.03 0.12 0.22 -0.04 1.80 2.12 5xinC1 ARG 159 HG2 -0.10 -0.02 -0.21 -0.04 1.67 1.30 5xinC1 ARG 159 HG3 -0.22 -0.14 0.05 -0.04 1.67 1.31 5xinC1 ARG 159 HD2 -0.16 0.03 0.04 -0.04 3.22 3.09 5xinC1 ARG 159 HD3 -0.25 0.07 -0.08 -0.04 3.22 2.92 5xinC1 GLU 160 H 0.01 0.64 -0.10 -0.55 8.60 8.61 5xinC1 GLU 160 HA -0.05 -0.01 0.36 -0.75 4.29 3.84 5xinC1 GLU 160 HB2 -0.02 0.08 0.14 -0.04 2.09 2.25 5xinC1 GLU 160 HB3 -0.03 0.11 0.18 -0.04 1.99 2.21 5xinC1 GLU 160 HG2 -0.05 -0.03 -0.21 -0.04 2.34 2.01 5xinC1 GLU 160 HG3 -0.03 -0.03 0.04 -0.04 2.34 2.28 5xinC1 ALA 161 H -0.12 0.50 -0.26 -0.55 8.40 7.98 5xinC1 ALA 161 HA -0.23 -0.00 0.55 -0.75 4.34 3.90 5xinC1 ALA 161 HB3 -0.72 0.02 0.12 -0.04 1.41 0.79 5xinC1 LEU 162 H -0.12 0.54 -0.05 -0.55 8.37 8.19 5xinC1 LEU 162 HA -0.08 -0.02 0.48 -0.75 4.35 3.97 5xinC1 LEU 162 HB2 -0.17 0.10 0.15 -0.04 1.64 1.68 5xinC1 LEU 162 HB3 -0.22 -0.01 0.00 -0.04 1.64 1.37 5xinC1 LEU 162 HG 0.18 0.16 0.07 -0.04 1.64 2.01 5xinC1 LEU 162 HD13 0.13 -0.01 -0.09 -0.04 0.93 0.92 5xinC1 LEU 162 HD23 0.28 -0.03 -0.06 -0.04 0.89 1.05 5xinC1 ASN 163 H -0.13 0.71 -0.08 -0.55 8.53 8.49 5xinC1 ASN 163 HA -0.05 -0.03 0.47 -0.75 4.76 4.39 5xinC1 ASN 163 HB2 -0.08 0.18 0.15 -0.04 2.88 3.09 5xinC1 ASN 163 HB3 -0.05 -0.03 0.02 -0.04 2.79 2.69 5xinC1 ASN 163 HD21 -0.12 0.02 0.03 -0.04 7.03 6.92 5xinC1 ASN 163 HD22 -0.08 0.02 -0.01 -0.04 7.74 7.64 5xinC1 LEU 164 H -0.07 0.42 -0.30 -0.55 8.37 7.87 5xinC1 LEU 164 HA -0.01 0.03 0.51 -0.75 4.35 4.12 5xinC1 LEU 164 HB2 -0.05 0.08 0.14 -0.04 1.64 1.77 5xinC1 LEU 164 HB3 -0.08 0.14 0.17 -0.04 1.64 1.83 5xinC1 LEU 164 HG -0.01 -0.05 0.08 -0.04 1.64 1.62 5xinC1 LEU 164 HD13 -0.03 -0.01 0.00 -0.04 0.93 0.85 5xinC1 LEU 164 HD23 -0.06 -0.01 -0.21 -0.04 0.89 0.57 5xinC1 LEU 165 H -0.06 0.45 -0.06 -0.55 8.37 8.15 5xinC1 LEU 165 HA 0.10 -0.01 0.43 -0.75 4.35 4.12 5xinC1 LEU 165 HB2 -0.16 0.13 0.10 -0.04 1.64 1.68 5xinC1 LEU 165 HB3 0.15 -0.03 -0.02 -0.04 1.64 1.70 5xinC1 LEU 165 HG -0.10 0.40 0.10 -0.04 1.64 1.99 5xinC1 LEU 165 HD13 0.16 -0.03 -0.08 -0.04 0.93 0.95 5xinC1 LEU 165 HD23 0.05 -0.04 -0.03 -0.04 0.89 0.83 5xinC1 ALA 166 H -0.09 0.56 -0.18 -0.55 8.40 8.15 5xinC1 ALA 166 HA 0.03 0.06 0.43 -0.75 4.34 4.11 5xinC1 ALA 166 HB3 -0.00 0.03 0.08 -0.04 1.41 1.48 5xinC1 GLN 167 H 0.04 0.42 -0.22 -0.55 8.47 8.16 5xinC1 GLN 167 HA 0.04 0.02 0.34 -0.75 4.36 4.01 5xinC1 GLN 167 HB2 0.03 0.09 0.18 -0.04 2.15 2.40 5xinC1 GLN 167 HB3 0.06 0.14 0.21 -0.04 2.02 2.39 5xinC1 GLN 167 HG2 0.03 -0.03 0.00 -0.04 2.40 2.36 5xinC1 GLN 167 HG3 0.04 -0.03 -0.16 -0.04 2.39 2.20 5xinC1 GLN 167 HE21 0.01 0.02 0.02 -0.04 6.97 6.98 5xinC1 GLN 167 HE22 0.01 -0.05 0.07 -0.04 7.69 7.67 5xinC1 TYR 168 H 0.19 0.58 -0.13 -0.55 8.29 8.38 5xinC1 TYR 168 HA -0.04 -0.00 0.46 -0.75 4.56 4.22 5xinC1 TYR 168 HB2 0.01 -0.00 0.11 -0.04 3.06 3.13 5xinC1 TYR 168 HB3 0.05 0.15 0.16 -0.04 2.98 3.30 5xinC1 TYR 168 HD2 0.06 0.02 -0.04 -0.04 7.15 7.15 5xinC1 TYR 168 HE2 0.14 0.00 -0.04 -0.04 6.85 6.91 5xinC1 SER 169 H 0.19 0.50 -0.15 -0.55 8.46 8.45 5xinC1 SER 169 HA -0.17 -0.00 0.42 -0.75 4.49 3.99 5xinC1 SER 169 HB2 0.42 0.02 0.07 -0.04 3.95 4.42 5xinC1 SER 169 HB3 0.32 0.11 0.14 -0.04 3.93 4.46 5xinC1 GLU 170 H 0.04 0.61 -0.13 -0.55 8.60 8.57 5xinC1 GLU 170 HA -0.02 0.00 0.47 -0.75 4.29 4.00 5xinC1 GLU 170 HB2 0.02 0.09 0.18 -0.04 2.09 2.33 5xinC1 GLU 170 HB3 0.00 -0.04 0.03 -0.04 1.99 1.94 5xinC1 GLU 170 HG2 0.08 0.11 0.08 -0.04 2.34 2.57 5xinC1 GLU 170 HG3 0.05 -0.06 0.00 -0.04 2.34 2.28 5xinC1 ASP 171 H -0.08 0.62 -0.02 -0.55 8.40 8.38 5xinC1 ASP 171 HA -0.07 0.02 0.37 -0.75 4.63 4.19 5xinC1 ASP 171 HB2 -0.11 0.03 0.15 -0.04 2.71 2.74 5xinC1 ASP 171 HB3 -0.08 -0.05 0.01 -0.04 2.70 2.54 5xinC1 ARG 172 H -0.39 0.51 -0.14 -0.55 8.46 7.89 5xinC1 ARG 172 HA -0.29 0.01 0.48 -0.75 4.34 3.79 5xinC1 ARG 172 HB2 -1.06 0.10 0.13 -0.04 1.90 1.03 5xinC1 ARG 172 HB3 -1.30 -0.05 0.02 -0.04 1.80 0.44 5xinC1 ARG 172 HG2 -0.69 -0.06 0.07 -0.04 1.67 0.95 5xinC1 ARG 172 HG3 -1.65 -0.08 -0.01 -0.04 1.67 -0.11 5xinC1 ARG 172 HD2 -0.54 0.03 0.05 -0.04 3.22 2.73 5xinC1 ARG 172 HD3 -0.31 -0.01 0.03 -0.04 3.22 2.89 5xinC1 GLY 173 H -0.17 0.30 -0.51 -0.55 8.43 7.50 5xinC1 GLY 173 HA2 -0.04 0.02 0.29 -0.51 4.01 3.77 5xinC1 GLY 173 HA3 -0.04 0.03 0.38 -0.51 4.01 3.87 5xinC1 TYR 174 H -0.10 0.50 -0.01 -0.55 8.29 8.13 5xinC1 TYR 174 HA -0.05 0.15 0.36 -0.75 4.56 4.26 5xinC1 TYR 174 HB2 -0.04 -0.09 0.10 -0.04 3.06 2.99 5xinC1 TYR 174 HB3 -0.05 0.01 0.00 -0.04 2.98 2.90 5xinC1 TYR 174 HD2 -0.02 0.02 -0.13 -0.04 7.15 6.99 5xinC1 TYR 174 HE2 0.05 -0.04 -0.11 -0.04 6.85 6.70 5xinC1 GLY 175 H 0.04 0.06 -0.24 -0.55 8.43 7.75 5xinC1 GLY 175 HA2 -0.01 -0.02 0.22 -0.51 4.01 3.68 5xinC1 GLY 175 HA3 -0.01 0.11 0.32 -0.51 4.01 3.92 5xinC1 LEU 176 H -0.01 -0.13 -0.36 -0.55 8.37 7.32 5xinC1 LEU 176 HA -0.20 0.33 0.49 -0.75 4.35 4.22 5xinC1 LEU 176 HB2 -0.29 -0.15 -0.08 -0.04 1.64 1.08 5xinC1 LEU 176 HB3 -0.63 0.03 -0.17 -0.04 1.64 0.84 5xinC1 LEU 176 HG -0.03 0.02 -0.18 -0.04 1.64 1.41 5xinC1 LEU 176 HD13 -0.01 -0.04 -0.11 -0.04 0.93 0.72 5xinC1 LEU 176 HD23 -0.17 0.02 -0.35 -0.04 0.89 0.35 5xinC1 ARG 177 H -0.30 0.53 0.40 -0.55 8.46 8.55 5xinC1 ARG 177 HA -0.14 0.22 0.83 -0.75 4.34 4.50 5xinC1 ARG 177 HB2 -0.22 -0.02 0.11 -0.04 1.90 1.73 5xinC1 ARG 177 HB3 -0.07 -0.01 0.04 -0.04 1.80 1.72 5xinC1 ARG 177 HG2 -0.31 0.05 0.04 -0.04 1.67 1.41 5xinC1 ARG 177 HG3 -0.21 0.04 -0.08 -0.04 1.67 1.38 5xinC1 ARG 177 HD2 -0.31 0.01 -0.00 -0.04 3.22 2.88 5xinC1 ARG 177 HD3 -0.49 -0.05 -0.01 -0.04 3.22 2.63 5xinC1 PHE 178 H 0.16 0.76 0.33 -0.55 8.34 9.04 5xinC1 PHE 178 HA 0.04 0.19 0.96 -0.75 4.62 5.06 5xinC1 PHE 178 HB2 -0.58 0.01 0.10 -0.04 3.15 2.64 5xinC1 PHE 178 HB3 0.12 -0.08 -0.01 -0.04 3.06 3.04 5xinC1 PHE 178 HD2 -0.28 0.10 -0.09 -0.04 7.28 6.98 5xinC1 PHE 178 HE2 -0.03 0.01 -0.14 -0.04 7.38 7.18 5xinC1 PHE 178 HZ 0.05 0.01 -0.21 -0.04 7.32 7.13 5xinC1 ALA 179 H 0.19 0.58 0.17 -0.55 8.40 8.81 5xinC1 ALA 179 HA 0.16 0.24 0.52 -0.75 4.34 4.50 5xinC1 ALA 179 HB3 0.19 0.00 -0.36 -0.04 1.41 1.21 5xinC1 ILE 180 H 0.16 0.75 0.30 -0.55 8.25 8.90 5xinC1 ILE 180 HA 0.21 0.05 0.70 -0.75 4.18 4.39 5xinC1 ILE 180 HB 0.11 0.04 0.13 -0.04 1.89 2.13 5xinC1 ILE 180 HG12 0.20 0.13 0.04 -0.04 1.49 1.81 5xinC1 ILE 180 HG13 0.05 -0.03 -0.02 -0.04 1.21 1.17 5xinC1 ILE 180 HG23 0.05 -0.02 -0.20 -0.04 0.93 0.72 5xinC1 ILE 180 HD13 0.27 -0.03 -0.08 -0.04 0.88 1.00 5xinC1 GLU 181 H 0.23 0.62 0.31 -0.55 8.60 9.21 5xinC1 GLU 181 HA 0.20 0.24 1.00 -0.75 4.29 4.98 5xinC1 GLU 181 HB2 0.21 -0.03 -0.11 -0.04 2.09 2.12 5xinC1 GLU 181 HB3 0.42 -0.15 0.06 -0.04 1.99 2.27 5xinC1 GLU 181 HG2 0.38 0.00 -0.29 -0.04 2.34 2.38 5xinC1 GLU 181 HG3 0.19 0.26 0.07 -0.04 2.34 2.82 5xinC1 PRO 182 HA 0.15 0.30 0.57 -0.51 4.44 4.94 5xinC1 PRO 182 HB2 0.13 -0.07 -0.56 -0.04 2.28 1.74 5xinC1 PRO 182 HB3 0.10 0.14 -0.26 -0.04 2.02 1.95 5xinC1 PRO 182 HG2 0.16 -0.14 -0.17 -0.04 2.03 1.84 5xinC1 PRO 182 HG3 0.12 0.04 -0.18 -0.04 2.03 1.96 5xinC1 PRO 182 HD2 0.20 0.06 0.11 -0.04 3.68 4.01 5xinC1 PRO 182 HD3 0.16 0.34 0.09 -0.04 3.65 4.20 5xinC1 LYS 183 H 0.09 0.47 0.06 -0.55 8.42 8.49 5xinC1 LYS 183 HA -0.05 0.02 0.51 -0.75 4.32 4.05 5xinC1 LYS 183 HB2 -0.04 0.00 -0.32 -0.04 1.87 1.48 5xinC1 LYS 183 HB3 0.21 0.01 -0.13 -0.04 1.79 1.84 5xinC1 LYS 183 HG2 -0.20 0.02 0.08 -0.04 1.46 1.32 5xinC1 LYS 183 HG3 -1.19 -0.14 0.12 -0.04 1.46 0.21 5xinC1 LYS 183 HD2 -0.46 -0.16 -0.04 -0.04 1.69 0.99 5xinC1 LYS 183 HD3 0.23 0.11 -0.07 -0.04 1.68 1.91 5xinC1 LYS 183 HE2 -0.06 0.47 0.24 -0.04 2.99 3.61 5xinC1 LYS 183 HE3 -0.23 -0.20 0.05 -0.04 2.99 2.57 5xinC1 PRO 184 HA -0.05 0.03 0.65 -0.51 4.44 4.56 5xinC1 PRO 184 HB2 -0.02 0.02 -0.05 -0.04 2.28 2.19 5xinC1 PRO 184 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.03 5xinC1 PRO 184 HG2 -0.01 0.04 0.06 -0.04 2.03 2.07 5xinC1 PRO 184 HG3 0.01 0.00 0.02 -0.04 2.03 2.02 5xinC1 PRO 184 HD2 -0.08 0.06 0.28 -0.04 3.68 3.91 5xinC1 PRO 184 HD3 0.03 0.16 0.20 -0.04 3.65 3.99 5xinC1 ASN 185 H -0.03 0.29 0.02 -0.55 8.53 8.27 5xinC1 ASN 185 HA -0.03 0.03 0.25 -0.75 4.76 4.26 5xinC1 ASN 185 HB2 -0.01 0.10 0.05 -0.04 2.88 2.98 5xinC1 ASN 185 HB3 -0.02 0.12 -0.06 -0.04 2.79 2.79 5xinC1 ASN 185 HD21 0.01 0.02 -0.11 -0.04 7.03 6.90 5xinC1 ASN 185 HD22 -0.01 0.01 -0.18 -0.04 7.74 7.52 5xinC1 GLU 186 H -0.01 0.74 -0.08 -0.55 8.60 8.70 5xinC1 GLU 186 HA 0.02 0.01 0.20 -0.75 4.29 3.77 5xinC1 GLU 186 HB2 0.05 -0.01 -0.15 -0.04 2.09 1.94 5xinC1 GLU 186 HB3 0.04 0.17 0.37 -0.04 1.99 2.53 5xinC1 GLU 186 HG2 0.07 0.04 -0.19 -0.04 2.34 2.22 5xinC1 GLU 186 HG3 0.07 0.02 -0.01 -0.04 2.34 2.37 5xinC1 PRO 187 HA 0.03 0.01 0.30 -0.51 4.44 4.27 5xinC1 PRO 187 HB2 0.01 0.04 -0.05 -0.04 2.28 2.24 5xinC1 PRO 187 HB3 0.05 -0.01 0.03 -0.04 2.02 2.05 5xinC1 PRO 187 HG2 -0.07 0.14 -0.06 -0.04 2.03 2.00 5xinC1 PRO 187 HG3 0.02 -0.03 -0.07 -0.04 2.03 1.92 5xinC1 PRO 187 HD2 0.00 0.21 0.19 -0.04 3.68 4.04 5xinC1 PRO 187 HD3 0.23 0.02 0.16 -0.04 3.65 4.01 5xinC1 ARG 188 H -0.06 0.28 -0.13 -0.55 8.46 8.01 5xinC1 ARG 188 HA -0.06 0.10 0.45 -0.75 4.34 4.07 5xinC1 ARG 188 HB2 -0.09 0.03 -0.43 -0.04 1.90 1.38 5xinC1 ARG 188 HB3 -0.09 -0.06 -0.21 -0.04 1.80 1.40 5xinC1 ARG 188 HG2 -0.13 0.19 -0.21 -0.04 1.67 1.48 5xinC1 ARG 188 HG3 -0.11 -0.01 -0.68 -0.04 1.67 0.82 5xinC1 ARG 188 HD2 -0.06 -0.06 -0.22 -0.04 3.22 2.84 5xinC1 ARG 188 HD3 -0.08 0.14 -0.14 -0.04 3.22 3.11 5xinC1 GLY 189 H -0.10 0.09 0.01 -0.55 8.43 7.88 5xinC1 GLY 189 HA2 -0.06 0.01 0.36 -0.51 4.01 3.81 5xinC1 GLY 189 HA3 -0.11 0.03 0.44 -0.51 4.01 3.86 5xinC1 ASP 190 H -0.08 0.38 0.02 -0.55 8.40 8.17 5xinC1 ASP 190 HA -0.05 0.34 0.81 -0.75 4.63 4.98 5xinC1 ASP 190 HB2 -0.05 -0.13 0.01 -0.04 2.71 2.49 5xinC1 ASP 190 HB3 -0.05 0.07 0.00 -0.04 2.70 2.68 5xinC1 ILE 191 H -0.06 0.60 0.04 -0.55 8.25 8.28 5xinC1 ILE 191 HA -0.09 0.21 0.79 -0.75 4.18 4.33 5xinC1 ILE 191 HB -0.06 0.21 -0.20 -0.04 1.89 1.81 5xinC1 ILE 191 HG12 -0.12 0.01 -0.34 -0.04 1.49 1.00 5xinC1 ILE 191 HG13 -0.06 -0.12 -0.46 -0.04 1.21 0.53 5xinC1 ILE 191 HG23 -0.13 0.06 -0.11 -0.04 0.93 0.71 5xinC1 ILE 191 HD13 -0.03 -0.05 -0.53 -0.04 0.88 0.23 5xinC1 LEU 192 H -0.07 0.48 0.05 -0.55 8.37 8.28 5xinC1 LEU 192 HA -0.06 -0.03 0.47 -0.75 4.35 3.97 5xinC1 LEU 192 HB2 0.00 0.01 -0.04 -0.04 1.64 1.57 5xinC1 LEU 192 HB3 -0.03 -0.03 -0.05 -0.04 1.64 1.49 5xinC1 LEU 192 HG -0.05 0.02 -0.32 -0.04 1.64 1.25 5xinC1 LEU 192 HD13 -0.00 -0.01 -0.12 -0.04 0.93 0.76 5xinC1 LEU 192 HD23 -0.03 0.00 -0.11 -0.04 0.89 0.72 5xinC1 LEU 193 H -0.08 0.05 0.09 -0.55 8.37 7.88 5xinC1 LEU 193 HA -0.03 -0.07 0.22 -0.75 4.35 3.72 5xinC1 LEU 193 HB2 -0.09 0.20 0.15 -0.04 1.64 1.86 5xinC1 LEU 193 HB3 -0.07 -0.06 -0.06 -0.04 1.64 1.40 5xinC1 LEU 193 HG -0.29 -0.09 -0.43 -0.04 1.64 0.78 5xinC1 LEU 193 HD13 -0.89 0.01 -0.10 -0.04 0.93 -0.09 5xinC1 LEU 193 HD23 -0.27 0.02 -0.10 -0.04 0.89 0.51 5xinC1 PRO 194 HA -0.06 0.31 0.14 -0.51 4.44 4.32 5xinC1 PRO 194 HB2 -0.16 -0.04 -0.06 -0.04 2.28 1.98 5xinC1 PRO 194 HB3 -0.14 0.25 0.14 -0.04 2.02 2.23 5xinC1 PRO 194 HG2 -0.98 -0.07 0.03 -0.04 2.03 0.97 5xinC1 PRO 194 HG3 -0.34 0.07 0.06 -0.04 2.03 1.79 5xinC1 PRO 194 HD2 -0.51 -0.02 0.17 -0.04 3.68 3.28 5xinC1 PRO 194 HD3 -0.21 0.09 0.16 -0.04 3.65 3.66 5xinC1 THR 195 H 0.01 0.07 -0.14 -0.55 8.28 7.67 5xinC1 THR 195 HA 0.11 0.26 0.64 -0.75 4.39 4.64 5xinC1 THR 195 HB 0.14 -0.02 0.09 -0.04 4.32 4.49 5xinC1 THR 195 HG23 0.06 0.06 -0.21 -0.04 1.22 1.08 5xinC1 ALA 196 H 0.13 0.20 0.07 -0.55 8.40 8.25 5xinC1 ALA 196 HA 0.10 0.15 0.34 -0.75 4.34 4.18 5xinC1 ALA 196 HB3 0.08 0.03 0.07 -0.04 1.41 1.55 5xinC1 GLY 197 H 0.10 0.06 -0.21 -0.55 8.43 7.84 5xinC1 GLY 197 HA2 0.01 0.14 0.28 -0.51 4.01 3.93 5xinC1 GLY 197 HA3 0.01 0.07 0.21 -0.51 4.01 3.79 5xinC1 HIS 198 H 0.25 0.04 -0.25 -0.55 8.41 7.91 5xinC1 HIS 198 HA 0.02 0.09 0.40 -0.75 4.63 4.38 5xinC1 HIS 198 HB2 0.00 -0.02 -0.03 -0.04 3.26 3.18 5xinC1 HIS 198 HB3 -0.01 0.01 0.03 -0.04 3.20 3.19 5xinC1 HIS 198 HD2 0.00 0.02 0.02 -0.04 6.97 6.97 5xinC1 HIS 198 HE1 0.02 0.05 -0.04 -0.04 7.75 7.73 5xinC1 ALA 199 H 0.11 0.39 -0.31 -0.55 8.40 8.05 5xinC1 ALA 199 HA 0.06 0.02 0.44 -0.75 4.34 4.11 5xinC1 ALA 199 HB3 0.06 0.04 -0.04 -0.04 1.41 1.43 5xinC1 ILE 200 H 0.01 0.49 -0.08 -0.55 8.25 8.12 5xinC1 ILE 200 HA -0.06 0.10 0.42 -0.75 4.18 3.88 5xinC1 ILE 200 HB -0.12 -0.01 0.11 -0.04 1.89 1.82 5xinC1 ILE 200 HG12 -0.08 0.06 -0.01 -0.04 1.49 1.42 5xinC1 ILE 200 HG13 -0.02 0.01 0.00 -0.04 1.21 1.16 5xinC1 ILE 200 HG23 -0.47 0.02 -0.15 -0.04 0.93 0.28 5xinC1 ILE 200 HD13 0.02 -0.03 -0.12 -0.04 0.88 0.72 5xinC1 ALA 201 H -0.04 0.57 -0.06 -0.55 8.40 8.32 5xinC1 ALA 201 HA -0.06 0.04 0.33 -0.75 4.34 3.89 5xinC1 ALA 201 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 5xinC1 PHE 202 H 0.14 0.36 -0.35 -0.55 8.34 7.94 5xinC1 PHE 202 HA -0.09 0.01 0.40 -0.75 4.62 4.19 5xinC1 PHE 202 HB2 -0.08 -0.04 0.08 -0.04 3.15 3.07 5xinC1 PHE 202 HB3 -0.11 0.12 0.14 -0.04 3.06 3.17 5xinC1 PHE 202 HD2 -0.17 0.03 -0.07 -0.04 7.28 7.04 5xinC1 PHE 202 HE2 -0.26 0.03 -0.06 -0.04 7.38 7.05 5xinC1 PHE 202 HZ -0.22 -0.08 -0.31 -0.04 7.32 6.66 5xinC1 VAL 203 H 0.00 0.50 -0.13 -0.55 8.24 8.06 5xinC1 VAL 203 HA -0.41 -0.09 0.44 -0.75 4.13 3.32 5xinC1 VAL 203 HB -0.03 0.20 0.22 -0.04 2.12 2.47 5xinC1 VAL 203 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.76 5xinC1 VAL 203 HG23 0.06 -0.03 -0.01 -0.04 0.95 0.93 5xinC1 GLN 204 H -0.13 0.42 -0.32 -0.55 8.47 7.89 5xinC1 GLN 204 HA -0.09 0.04 0.37 -0.75 4.36 3.92 5xinC1 GLN 204 HB2 -0.09 0.12 0.07 -0.04 2.15 2.21 5xinC1 GLN 204 HB3 -0.07 -0.07 0.12 -0.04 2.02 1.96 5xinC1 GLN 204 HG2 -0.06 -0.00 0.02 -0.04 2.40 2.31 5xinC1 GLN 204 HG3 -0.10 0.14 0.02 -0.04 2.39 2.41 5xinC1 GLN 204 HE21 -0.03 -0.07 -0.05 -0.04 6.97 6.77 5xinC1 GLN 204 HE22 -0.05 0.07 -0.03 -0.04 7.69 7.64 5xinC1 GLU 205 H -0.32 0.41 -0.67 -0.55 8.60 7.48 5xinC1 GLU 205 HA -0.15 0.17 0.86 -0.75 4.29 4.41 5xinC1 GLU 205 HB2 -0.40 0.10 0.03 -0.04 2.09 1.78 5xinC1 GLU 205 HB3 -0.18 -0.12 0.14 -0.04 1.99 1.79 5xinC1 GLU 205 HG2 -0.14 0.18 -0.03 -0.04 2.34 2.31 5xinC1 GLU 205 HG3 -0.11 -0.13 0.01 -0.04 2.34 2.07 5xinC1 LEU 206 H -0.34 0.44 -0.11 -0.55 8.37 7.81 5xinC1 LEU 206 HA -0.32 0.02 0.60 -0.75 4.35 3.89 5xinC1 LEU 206 HB2 -0.49 0.13 -0.04 -0.04 1.64 1.20 5xinC1 LEU 206 HB3 -0.58 -0.16 0.03 -0.04 1.64 0.88 5xinC1 LEU 206 HG -0.77 0.14 0.05 -0.04 1.64 1.01 5xinC1 LEU 206 HD13 -1.21 -0.01 -0.05 -0.04 0.93 -0.37 5xinC1 LEU 206 HD23 -0.65 -0.01 -0.06 -0.04 0.89 0.13 5xinC1 GLU 207 H -0.16 0.05 0.11 -0.55 8.60 8.05 5xinC1 GLU 207 HA -0.05 0.12 0.51 -0.75 4.29 4.11 5xinC1 GLU 207 HB2 -0.07 -0.01 0.14 -0.04 2.09 2.11 5xinC1 GLU 207 HB3 -0.04 -0.04 0.16 -0.04 1.99 2.03 5xinC1 GLU 207 HG2 -0.01 0.04 -0.03 -0.04 2.34 2.29 5xinC1 GLU 207 HG3 -0.03 0.01 0.05 -0.04 2.34 2.32 5xinC1 ARG 208 H 0.06 0.05 -0.15 -0.55 8.46 7.86 5xinC1 ARG 208 HA 0.06 0.22 0.79 -0.75 4.34 4.66 5xinC1 ARG 208 HB2 0.18 -0.04 0.14 -0.04 1.90 2.14 5xinC1 ARG 208 HB3 0.12 0.00 0.11 -0.04 1.80 1.99 5xinC1 ARG 208 HG2 0.05 0.06 -0.04 -0.04 1.67 1.70 5xinC1 ARG 208 HG3 0.04 -0.06 -0.30 -0.04 1.67 1.31 5xinC1 ARG 208 HD2 0.09 -0.02 -0.04 -0.04 3.22 3.21 5xinC1 ARG 208 HD3 0.05 0.04 -0.04 -0.04 3.22 3.23 5xinC1 PRO 209 HA 0.18 0.05 0.37 -0.51 4.44 4.53 5xinC1 PRO 209 HB2 0.02 0.04 -0.03 -0.04 2.28 2.27 5xinC1 PRO 209 HB3 -0.05 0.19 0.08 -0.04 2.02 2.20 5xinC1 PRO 209 HG2 0.01 -0.03 0.05 -0.04 2.03 2.02 5xinC1 PRO 209 HG3 -0.03 0.19 0.01 -0.04 2.03 2.15 5xinC1 PRO 209 HD2 0.03 0.11 0.10 -0.04 3.68 3.87 5xinC1 PRO 209 HD3 -0.02 0.36 -0.67 -0.04 3.65 3.28 5xinC1 GLU 210 H 0.11 0.08 -0.27 -0.55 8.60 7.97 5xinC1 GLU 210 HA 0.14 0.16 0.35 -0.75 4.29 4.18 5xinC1 GLU 210 HB2 0.08 0.05 0.08 -0.04 2.09 2.26 5xinC1 GLU 210 HB3 0.07 -0.01 0.08 -0.04 1.99 2.08 5xinC1 GLU 210 HG2 0.08 0.07 -0.20 -0.04 2.34 2.25 5xinC1 GLU 210 HG3 0.05 0.00 -0.04 -0.04 2.34 2.31 5xinC1 LEU 211 H 0.21 0.34 -0.43 -0.55 8.37 7.95 5xinC1 LEU 211 HA 0.14 0.16 0.65 -0.75 4.35 4.54 5xinC1 LEU 211 HB2 0.03 0.20 0.11 -0.04 1.64 1.93 5xinC1 LEU 211 HB3 -0.02 -0.06 0.10 -0.04 1.64 1.63 5xinC1 LEU 211 HG 0.10 -0.09 -0.01 -0.04 1.64 1.60 5xinC1 LEU 211 HD13 0.12 -0.03 0.02 -0.04 0.93 1.00 5xinC1 LEU 211 HD23 0.06 0.05 -0.04 -0.04 0.89 0.92 5xinC1 PHE 212 H 0.36 0.48 -0.20 -0.55 8.34 8.43 5xinC1 PHE 212 HA 0.25 0.23 1.16 -0.75 4.62 5.50 5xinC1 PHE 212 HB2 -0.03 0.09 0.14 -0.04 3.15 3.31 5xinC1 PHE 212 HB3 -0.01 -0.04 0.04 -0.04 3.06 3.01 5xinC1 PHE 212 HD2 0.06 0.10 -0.08 -0.04 7.28 7.32 5xinC1 PHE 212 HE2 -0.18 -0.08 -0.07 -0.04 7.38 7.00 5xinC1 PHE 212 HZ -0.47 0.09 -0.10 -0.04 7.32 6.80 5xinC1 GLY 213 H -0.09 0.57 0.43 -0.55 8.43 8.79 5xinC1 GLY 213 HA2 -0.56 0.13 0.75 -0.51 4.01 3.83 5xinC1 GLY 213 HA3 -1.82 0.06 0.39 -0.51 4.01 2.12 5xinC1 ILE 214 H -0.18 0.68 0.45 -0.55 8.25 8.66 5xinC1 ILE 214 HA 0.06 0.12 1.11 -0.75 4.18 4.72 5xinC1 ILE 214 HB 0.07 -0.01 0.08 -0.04 1.89 1.99 5xinC1 ILE 214 HG12 -0.03 0.15 0.05 -0.04 1.49 1.62 5xinC1 ILE 214 HG13 0.03 -0.00 -0.03 -0.04 1.21 1.17 5xinC1 ILE 214 HG23 0.02 -0.00 -0.20 -0.04 0.93 0.71 5xinC1 ILE 214 HD13 0.04 -0.03 -0.03 -0.04 0.88 0.81 5xinC1 ASN 215 H 0.13 0.77 -0.02 -0.55 8.53 8.86 5xinC1 ASN 215 HA 0.17 0.35 0.59 -0.75 4.76 5.12 5xinC1 ASN 215 HB2 0.16 0.01 -0.28 -0.04 2.88 2.72 5xinC1 ASN 215 HB3 0.16 -0.03 -0.21 -0.04 2.79 2.66 5xinC1 ASN 215 HD21 0.22 -0.04 -0.27 -0.04 7.03 6.91 5xinC1 ASN 215 HD22 0.14 -0.05 -0.18 -0.04 7.74 7.60 5xinC1 PRO 216 HA 0.16 0.09 0.62 -0.51 4.44 4.80 5xinC1 PRO 216 HB2 0.34 -0.04 -0.08 -0.04 2.28 2.47 5xinC1 PRO 216 HB3 0.14 -0.03 0.05 -0.04 2.02 2.13 5xinC1 PRO 216 HG2 0.08 0.00 0.06 -0.04 2.03 2.12 5xinC1 PRO 216 HG3 0.00 0.04 0.01 -0.04 2.03 2.04 5xinC1 PRO 216 HD2 0.07 0.46 0.26 -0.04 3.68 4.43 5xinC1 PRO 216 HD3 0.07 0.11 -0.25 -0.04 3.65 3.54 5xinC1 GLU 217 H 0.07 0.19 0.20 -0.55 8.60 8.51 5xinC1 GLU 217 HA -0.12 0.49 1.05 -0.75 4.29 4.96 5xinC1 GLU 217 HB2 -0.37 0.13 -0.04 -0.04 2.09 1.76 5xinC1 GLU 217 HB3 -0.92 -0.04 0.14 -0.04 1.99 1.13 5xinC1 GLU 217 HG2 -0.44 -0.35 -0.21 -0.04 2.34 1.30 5xinC1 GLU 217 HG3 -0.26 0.12 -0.07 -0.04 2.34 2.09 5xinC1 THR 218 H -0.44 0.57 0.30 -0.55 8.28 8.15 5xinC1 THR 218 HA -2.54 0.05 0.32 -0.75 4.39 1.47 5xinC1 THR 218 HB -0.27 -0.04 0.05 -0.04 4.32 4.02 5xinC1 THR 218 HG23 -0.22 -0.00 -0.01 -0.04 1.22 0.94 5xinC1 GLY 219 H -0.27 0.14 -0.21 -0.55 8.43 7.54 5xinC1 GLY 219 HA2 -0.13 0.00 0.35 -0.51 4.01 3.72 5xinC1 GLY 219 HA3 -0.12 0.05 0.14 -0.51 4.01 3.58 5xinC1 HIS 220 H -0.17 0.16 -0.27 -0.55 8.41 7.59 5xinC1 HIS 220 HA -0.03 0.11 0.51 -0.75 4.63 4.46 5xinC1 HIS 220 HB2 0.02 -0.02 0.15 -0.04 3.26 3.37 5xinC1 HIS 220 HB3 0.04 0.06 0.07 -0.04 3.20 3.33 5xinC1 HIS 220 HD2 -0.10 -0.12 -0.13 -0.04 6.97 6.58 5xinC1 HIS 220 HE1 -0.55 -0.03 -0.11 -0.04 7.75 7.01 5xinC1 GLU 221 H 0.06 0.38 -0.10 -0.55 8.60 8.38 5xinC1 GLU 221 HA 0.12 0.09 0.53 -0.75 4.29 4.29 5xinC1 GLU 221 HB2 0.30 0.09 0.07 -0.04 2.09 2.51 5xinC1 GLU 221 HB3 0.21 -0.05 -0.12 -0.04 1.99 1.99 5xinC1 GLU 221 HG2 0.33 0.09 0.01 -0.04 2.34 2.74 5xinC1 GLU 221 HG3 0.35 0.00 -0.02 -0.04 2.34 2.63 5xinC1 GLN 222 H -0.01 0.38 -0.14 -0.55 8.47 8.16 5xinC1 GLN 222 HA 0.03 0.04 0.51 -0.75 4.36 4.18 5xinC1 GLN 222 HB2 -0.06 0.06 0.10 -0.04 2.15 2.20 5xinC1 GLN 222 HB3 -0.03 -0.09 0.07 -0.04 2.02 1.93 5xinC1 GLN 222 HG2 0.02 0.05 0.08 -0.04 2.40 2.50 5xinC1 GLN 222 HG3 -0.01 0.08 0.10 -0.04 2.39 2.51 5xinC1 GLN 222 HE21 -0.02 -0.04 0.07 -0.04 6.97 6.94 5xinC1 GLN 222 HE22 0.05 -0.08 0.08 -0.04 7.69 7.71 5xinC1 MET 223 H 0.02 0.33 -0.47 -0.55 8.47 7.80 5xinC1 MET 223 HA -0.01 0.12 0.27 -0.75 4.52 4.15 5xinC1 MET 223 HB2 0.02 0.18 0.13 -0.04 2.15 2.44 5xinC1 MET 223 HB3 0.00 -0.02 0.08 -0.04 2.03 2.05 5xinC1 MET 223 HG2 -0.03 0.13 0.06 -0.04 2.63 2.75 5xinC1 MET 223 HG3 -0.01 0.16 0.07 -0.04 2.56 2.73 5xinC1 MET 223 HE3 -0.00 0.06 0.01 -0.04 2.10 2.12 5xinC1 SER 224 H 0.03 0.31 -0.47 -0.55 8.46 7.78 5xinC1 SER 224 HA 0.02 0.24 0.91 -0.75 4.49 4.90 5xinC1 SER 224 HB2 0.04 -0.00 0.04 -0.04 3.95 3.99 5xinC1 SER 224 HB3 0.03 -0.03 0.14 -0.04 3.93 4.03 5xinC1 ASN 225 H 0.02 0.38 -0.43 -0.55 8.53 7.96 5xinC1 ASN 225 HA 0.02 0.01 0.32 -0.75 4.76 4.36 5xinC1 ASN 225 HB2 0.02 0.02 -0.17 -0.04 2.88 2.70 5xinC1 ASN 225 HB3 0.02 0.10 0.18 -0.04 2.79 3.05 5xinC1 ASN 225 HD21 0.01 -0.05 0.04 -0.04 7.03 7.00 5xinC1 ASN 225 HD22 0.01 0.03 0.06 -0.04 7.74 7.80 5xinC1 LEU 226 H 0.05 0.30 -0.15 -0.55 8.37 8.01 5xinC1 LEU 226 HA 0.04 0.12 0.52 -0.75 4.35 4.28 5xinC1 LEU 226 HB2 0.09 0.06 -0.06 -0.04 1.64 1.69 5xinC1 LEU 226 HB3 0.07 -0.05 -0.06 -0.04 1.64 1.56 5xinC1 LEU 226 HG 0.05 0.08 -0.14 -0.04 1.64 1.59 5xinC1 LEU 226 HD13 0.08 -0.02 -0.00 -0.04 0.93 0.95 5xinC1 LEU 226 HD23 0.04 0.02 -0.06 -0.04 0.89 0.85 5xinC1 ASN 227 H 0.03 0.19 0.08 -0.55 8.53 8.28 5xinC1 ASN 227 HA 0.06 0.07 0.54 -0.75 4.76 4.67 5xinC1 ASN 227 HB2 0.01 0.13 0.09 -0.04 2.88 3.07 5xinC1 ASN 227 HB3 0.00 -0.01 0.16 -0.04 2.79 2.90 5xinC1 ASN 227 HD21 -0.01 0.03 -0.00 -0.04 7.03 7.01 5xinC1 ASN 227 HD22 -0.01 0.09 0.01 -0.04 7.74 7.79 5xinC1 PHE 228 H 0.19 0.22 0.15 -0.55 8.34 8.34 5xinC1 PHE 228 HA 0.01 0.09 0.43 -0.75 4.62 4.40 5xinC1 PHE 228 HB2 0.02 0.09 0.11 -0.04 3.15 3.33 5xinC1 PHE 228 HB3 0.02 -0.02 0.12 -0.04 3.06 3.14 5xinC1 PHE 228 HD2 0.04 -0.01 -0.05 -0.04 7.28 7.21 5xinC1 PHE 228 HE2 -0.01 0.03 -0.22 -0.04 7.38 7.14 5xinC1 PHE 228 HZ -0.05 0.18 -0.22 -0.04 7.32 7.18 5xinC1 THR 229 H 0.08 0.12 -0.00 -0.55 8.28 7.93 5xinC1 THR 229 HA -0.17 0.13 0.34 -0.75 4.39 3.94 5xinC1 THR 229 HB -0.03 -0.03 -0.01 -0.04 4.32 4.22 5xinC1 THR 229 HG23 -0.06 0.05 -0.22 -0.04 1.22 0.94 5xinC1 GLN 230 H -0.04 0.01 -0.38 -0.55 8.47 7.51 5xinC1 GLN 230 HA -0.07 0.13 0.38 -0.75 4.36 4.04 5xinC1 GLN 230 HB2 -0.03 -0.00 0.05 -0.04 2.15 2.12 5xinC1 GLN 230 HB3 -0.06 0.06 0.02 -0.04 2.02 2.00 5xinC1 GLN 230 HG2 -0.06 0.09 -0.03 -0.04 2.40 2.36 5xinC1 GLN 230 HG3 -0.04 -0.11 -0.01 -0.04 2.39 2.18 5xinC1 GLN 230 HE21 -0.08 0.04 -0.01 -0.04 6.97 6.88 5xinC1 GLN 230 HE22 -0.07 0.01 -0.02 -0.04 7.69 7.57 5xinC1 GLY 231 H -0.08 0.40 -0.20 -0.55 8.43 7.99 5xinC1 GLY 231 HA2 -0.03 0.04 0.47 -0.51 4.01 3.99 5xinC1 GLY 231 HA3 -0.05 -0.01 0.30 -0.51 4.01 3.74 5xinC1 ILE 232 H -0.30 0.48 -0.16 -0.55 8.25 7.71 5xinC1 ILE 232 HA -0.20 0.01 0.42 -0.75 4.18 3.67 5xinC1 ILE 232 HB -0.30 0.13 0.10 -0.04 1.89 1.79 5xinC1 ILE 232 HG12 -1.20 0.17 -0.05 -0.04 1.49 0.37 5xinC1 ILE 232 HG13 -0.80 -0.01 -0.08 -0.04 1.21 0.29 5xinC1 ILE 232 HG23 -0.20 0.02 -0.10 -0.04 0.93 0.60 5xinC1 ILE 232 HD13 -0.61 -0.02 -0.10 -0.04 0.88 0.10 5xinC1 ALA 233 H -0.11 0.45 -0.18 -0.55 8.40 8.02 5xinC1 ALA 233 HA -0.02 0.10 0.38 -0.75 4.34 4.04 5xinC1 ALA 233 HB3 -0.06 0.05 0.07 -0.04 1.41 1.43 5xinC1 GLN 234 H -0.03 0.34 -0.20 -0.55 8.47 8.03 5xinC1 GLN 234 HA 0.02 0.09 0.42 -0.75 4.36 4.14 5xinC1 GLN 234 HB2 -0.05 0.01 0.09 -0.04 2.15 2.17 5xinC1 GLN 234 HB3 0.05 0.03 0.13 -0.04 2.02 2.19 5xinC1 GLN 234 HG2 0.37 0.01 -0.25 -0.04 2.40 2.48 5xinC1 GLN 234 HG3 0.07 0.03 0.03 -0.04 2.39 2.48 5xinC1 GLN 234 HE21 0.16 -0.03 -0.04 -0.04 6.97 7.02 5xinC1 GLN 234 HE22 0.80 0.05 -0.06 -0.04 7.69 8.44 5xinC1 ALA 235 H 0.05 0.49 -0.20 -0.55 8.40 8.19 5xinC1 ALA 235 HA 0.21 0.00 0.36 -0.75 4.34 4.16 5xinC1 ALA 235 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 5xinC1 LEU 236 H 0.06 0.60 -0.17 -0.55 8.37 8.32 5xinC1 LEU 236 HA 0.09 -0.03 0.52 -0.75 4.35 4.18 5xinC1 LEU 236 HB2 0.06 0.11 0.15 -0.04 1.64 1.92 5xinC1 LEU 236 HB3 0.08 0.05 0.02 -0.04 1.64 1.74 5xinC1 LEU 236 HG -0.01 -0.02 0.01 -0.04 1.64 1.58 5xinC1 LEU 236 HD13 0.00 -0.02 -0.14 -0.04 0.93 0.73 5xinC1 LEU 236 HD23 0.09 0.01 -0.00 -0.04 0.89 0.95 5xinC1 TRP 237 H 0.24 0.40 -0.20 -0.55 7.97 7.86 5xinC1 TRP 237 HA -0.05 0.05 0.44 -0.75 4.62 4.31 5xinC1 TRP 237 HB2 -0.09 0.03 0.13 -0.04 3.23 3.26 5xinC1 TRP 237 HB3 -0.22 0.10 0.16 -0.04 3.23 3.23 5xinC1 TRP 237 HD1 -0.06 0.02 0.04 -0.04 7.22 7.18 5xinC1 TRP 237 HE1 -0.05 -0.01 0.00 -0.04 10.20 10.10 5xinC1 TRP 237 HE3 -0.94 0.06 -0.10 -0.04 7.59 6.56 5xinC1 TRP 237 HZ2 -0.06 -0.02 -0.01 -0.04 7.44 7.31 5xinC1 TRP 237 HZ3 -0.23 -0.04 -0.05 -0.04 7.13 6.77 5xinC1 TRP 237 HH2 -0.05 -0.04 -0.02 -0.04 7.19 7.03 5xinC1 HIS 238 H 0.20 0.37 -0.25 -0.55 8.41 8.19 5xinC1 HIS 238 HA -0.24 0.08 0.57 -0.75 4.63 4.29 5xinC1 HIS 238 HB2 0.07 0.02 0.06 -0.04 3.26 3.37 5xinC1 HIS 238 HB3 -0.00 0.00 0.02 -0.04 3.20 3.17 5xinC1 HIS 238 HD2 0.18 0.01 -0.20 -0.04 6.97 6.91 5xinC1 HIS 238 HE1 0.31 -0.04 -0.04 -0.04 7.75 7.94 5xinC1 LYS 239 H 0.08 0.21 -0.64 -0.55 8.42 7.52 5xinC1 LYS 239 HA 0.10 0.04 0.35 -0.75 4.32 4.05 5xinC1 LYS 239 HB2 0.02 0.18 -0.09 -0.04 1.87 1.94 5xinC1 LYS 239 HB3 0.09 -0.06 0.24 -0.04 1.79 2.03 5xinC1 LYS 239 HG2 0.02 -0.05 0.05 -0.04 1.46 1.45 5xinC1 LYS 239 HG3 -0.02 0.18 -0.05 -0.04 1.46 1.53 5xinC1 LYS 239 HD2 -0.10 0.03 -0.13 -0.04 1.69 1.45 5xinC1 LYS 239 HD3 -0.02 -0.06 -0.01 -0.04 1.68 1.55 5xinC1 LYS 239 HE2 -0.03 -0.04 0.01 -0.04 2.99 2.88 5xinC1 LYS 239 HE3 -0.07 0.07 0.01 -0.04 2.99 2.95 5xinC1 LYS 240 H 0.12 0.49 -0.02 -0.55 8.42 8.46 5xinC1 LYS 240 HA -0.09 0.32 0.87 -0.75 4.32 4.67 5xinC1 LYS 240 HB2 0.01 -0.06 0.02 -0.04 1.87 1.80 5xinC1 LYS 240 HB3 -0.17 -0.19 0.22 -0.04 1.79 1.61 5xinC1 LYS 240 HG2 0.04 0.25 -0.48 -0.04 1.46 1.22 5xinC1 LYS 240 HG3 -0.07 -0.12 -0.06 -0.04 1.46 1.18 5xinC1 LYS 240 HD2 -0.18 -0.11 0.13 -0.04 1.69 1.49 5xinC1 LYS 240 HD3 -0.21 0.09 0.12 -0.04 1.68 1.64 5xinC1 LYS 240 HE2 0.01 0.05 -0.04 -0.04 2.99 2.96 5xinC1 LYS 240 HE3 -0.04 -0.15 -0.03 -0.04 2.99 2.73 5xinC1 LEU 241 H 0.15 0.18 -0.17 -0.55 8.37 7.99 5xinC1 LEU 241 HA 0.07 0.08 0.68 -0.75 4.35 4.43 5xinC1 LEU 241 HB2 0.01 -0.09 -0.06 -0.04 1.64 1.46 5xinC1 LEU 241 HB3 0.09 0.07 0.08 -0.04 1.64 1.84 5xinC1 LEU 241 HG -0.24 0.03 -0.23 -0.04 1.64 1.16 5xinC1 LEU 241 HD13 -0.10 -0.01 0.04 -0.04 0.93 0.83 5xinC1 LEU 241 HD23 -0.41 -0.01 -0.08 -0.04 0.89 0.35 5xinC1 PHE 242 H 0.28 0.37 0.26 -0.55 8.34 8.70 5xinC1 PHE 242 HA 0.14 0.15 0.50 -0.75 4.62 4.66 5xinC1 PHE 242 HB2 0.11 -0.02 -0.03 -0.04 3.15 3.17 5xinC1 PHE 242 HB3 0.09 -0.04 -0.14 -0.04 3.06 2.92 5xinC1 PHE 242 HD2 0.07 -0.08 -0.49 -0.04 7.28 6.74 5xinC1 PHE 242 HE2 0.04 0.15 -0.31 -0.04 7.38 7.23 5xinC1 PHE 242 HZ 0.05 0.19 -0.17 -0.04 7.32 7.36 5xinC1 HIS 243 H 0.26 0.40 0.16 -0.55 8.41 8.69 5xinC1 HIS 243 HA 0.24 0.14 0.45 -0.75 4.63 4.70 5xinC1 HIS 243 HB2 0.13 0.14 -0.46 -0.04 3.26 3.03 5xinC1 HIS 243 HB3 0.11 -0.10 -0.21 -0.04 3.20 2.96 5xinC1 HIS 243 HD2 0.02 0.12 -0.04 -0.04 6.97 7.03 5xinC1 HIS 243 HE1 -0.46 -0.10 -0.20 -0.04 7.75 6.95 5xinC1 ILE 244 H -0.38 0.32 0.12 -0.55 8.25 7.76 5xinC1 ILE 244 HA 0.03 0.16 0.60 -0.75 4.18 4.22 5xinC1 ILE 244 HB -0.37 0.06 -0.26 -0.04 1.89 1.27 5xinC1 ILE 244 HG12 0.05 -0.07 -0.14 -0.04 1.49 1.30 5xinC1 ILE 244 HG13 0.06 0.08 0.09 -0.04 1.21 1.40 5xinC1 ILE 244 HG23 -0.18 0.05 -0.05 -0.04 0.93 0.71 5xinC1 ILE 244 HD13 -0.12 -0.01 -0.09 -0.04 0.88 0.61 5xinC1 ASP 245 H 0.06 0.60 0.16 -0.55 8.40 8.67 5xinC1 ASP 245 HA 0.08 0.24 0.77 -0.75 4.63 4.97 5xinC1 ASP 245 HB2 0.01 0.06 -0.02 -0.04 2.71 2.73 5xinC1 ASP 245 HB3 -0.02 -0.08 -0.02 -0.04 2.70 2.53 5xinC1 LEU 246 H -0.19 0.93 0.37 -0.55 8.37 8.94 5xinC1 LEU 246 HA -0.11 -0.02 0.91 -0.75 4.35 4.37 5xinC1 LEU 246 HB2 -0.37 0.05 0.00 -0.04 1.64 1.28 5xinC1 LEU 246 HB3 -0.57 -0.04 -0.00 -0.04 1.64 0.98 5xinC1 LEU 246 HG -0.31 0.05 -0.22 -0.04 1.64 1.12 5xinC1 LEU 246 HD13 -0.59 0.03 -0.12 -0.04 0.93 0.21 5xinC1 LEU 246 HD23 -0.28 -0.00 -0.09 -0.04 0.89 0.48 5xinC1 ASN 247 H 0.11 0.27 0.28 -0.55 8.53 8.64 5xinC1 ASN 247 HA 0.13 0.14 0.36 -0.75 4.76 4.63 5xinC1 ASN 247 HB2 0.03 0.12 0.11 -0.04 2.88 3.11 5xinC1 ASN 247 HB3 0.05 0.27 -0.20 -0.04 2.79 2.87 5xinC1 ASN 247 HD21 -0.16 -0.14 -0.07 -0.04 7.03 6.62 5xinC1 ASN 247 HD22 -0.07 0.41 0.07 -0.04 7.74 8.12 5xinC1 GLY 248 H -0.02 0.51 0.03 -0.55 8.43 8.41 5xinC1 GLY 248 HA2 -0.10 0.07 0.86 -0.51 4.01 4.32 5xinC1 GLY 248 HA3 -0.10 0.08 0.11 -0.51 4.01 3.60 5xinC1 GLN 249 H -0.22 0.16 0.23 -0.55 8.47 8.09 5xinC1 GLN 249 HA -0.20 0.12 0.67 -0.75 4.36 4.19 5xinC1 GLN 249 HB2 -0.13 -0.06 -0.24 -0.04 2.15 1.68 5xinC1 GLN 249 HB3 -0.13 -0.05 -0.03 -0.04 2.02 1.76 5xinC1 GLN 249 HG2 -0.08 0.12 -0.08 -0.04 2.40 2.32 5xinC1 GLN 249 HG3 -0.10 0.07 -0.25 -0.04 2.39 2.07 5xinC1 GLN 249 HE21 -0.24 0.36 -0.08 -0.04 6.97 6.98 5xinC1 GLN 249 HE22 -0.10 0.70 -0.07 -0.04 7.69 8.18 5xinC1 HIS 250 H -0.10 0.26 0.02 -0.55 8.41 8.05 5xinC1 HIS 250 HA -0.04 0.14 1.00 -0.75 4.63 4.97 5xinC1 HIS 250 HB2 -0.06 0.03 0.15 -0.04 3.26 3.33 5xinC1 HIS 250 HB3 -0.04 0.05 0.07 -0.04 3.20 3.25 5xinC1 HIS 250 HD2 -0.03 0.00 -0.03 -0.04 6.97 6.87 5xinC1 HIS 250 HE1 -0.01 0.08 0.00 -0.04 7.75 7.77 5xinC1 GLY 251 H -0.02 0.03 -0.15 -0.55 8.43 7.75 5xinC1 GLY 251 HA2 0.00 0.07 0.30 -0.51 4.01 3.87 5xinC1 GLY 251 HA3 0.02 0.09 0.33 -0.51 4.01 3.93 5xinC1 PRO 252 HA -0.00 0.09 0.72 -0.51 4.44 4.74 5xinC1 PRO 252 HB2 0.02 -0.03 0.11 -0.04 2.28 2.34 5xinC1 PRO 252 HB3 0.01 0.28 0.09 -0.04 2.02 2.37 5xinC1 PRO 252 HG2 0.02 -0.00 0.13 -0.04 2.03 2.13 5xinC1 PRO 252 HG3 0.02 0.02 0.01 -0.04 2.03 2.04 5xinC1 PRO 252 HD2 0.02 0.08 0.19 -0.04 3.68 3.92 5xinC1 PRO 252 HD3 0.01 0.04 0.18 -0.04 3.65 3.85 5xinC1 LYS 253 H -0.02 0.51 0.34 -0.55 8.42 8.70 5xinC1 LYS 253 HA 0.08 0.04 0.46 -0.75 4.32 4.15 5xinC1 LYS 253 HB2 0.15 -0.18 0.15 -0.04 1.87 1.96 5xinC1 LYS 253 HB3 0.07 0.08 0.07 -0.04 1.79 1.96 5xinC1 LYS 253 HG2 -0.05 0.12 -0.45 -0.04 1.46 1.03 5xinC1 LYS 253 HG3 -0.28 0.12 -0.18 -0.04 1.46 1.08 5xinC1 LYS 253 HD2 -0.12 -0.13 -0.04 -0.04 1.69 1.36 5xinC1 LYS 253 HD3 -0.06 -0.07 -0.04 -0.04 1.68 1.47 5xinC1 LYS 253 HE2 0.06 -0.04 -0.03 -0.04 2.99 2.94 5xinC1 LYS 253 HE3 0.02 0.18 -0.07 -0.04 2.99 3.08 5xinC1 PHE 254 H 0.47 0.08 0.09 -0.55 8.34 8.42 5xinC1 PHE 254 HA 0.02 0.06 0.42 -0.75 4.62 4.37 5xinC1 PHE 254 HB2 0.05 0.02 0.06 -0.04 3.15 3.24 5xinC1 PHE 254 HB3 0.06 0.00 0.11 -0.04 3.06 3.19 5xinC1 PHE 254 HD2 0.04 0.06 -0.08 -0.04 7.28 7.25 5xinC1 PHE 254 HE2 0.04 0.03 -0.07 -0.04 7.38 7.33 5xinC1 PHE 254 HZ 0.04 -0.01 -0.06 -0.04 7.32 7.25 5xinC1 ALA 255 H 0.09 0.12 0.13 -0.55 8.40 8.19 5xinC1 ALA 255 HA -0.12 0.05 0.45 -0.75 4.34 3.97 5xinC1 ALA 255 HB3 -0.02 0.01 0.06 -0.04 1.41 1.41 5xinC1 GLN 256 H -0.23 0.08 0.22 -0.55 8.47 8.00 5xinC1 GLN 256 HA -0.16 0.18 0.54 -0.75 4.36 4.17 5xinC1 GLN 256 HB2 -0.17 -0.05 0.18 -0.04 2.15 2.07 5xinC1 GLN 256 HB3 -0.09 -0.01 -0.02 -0.04 2.02 1.87 5xinC1 GLN 256 HG2 -0.77 0.04 -0.10 -0.04 2.40 1.52 5xinC1 GLN 256 HG3 -0.51 0.17 0.03 -0.04 2.39 2.03 5xinC1 GLN 256 HE21 0.12 0.02 -0.03 -0.04 6.97 7.04 5xinC1 GLN 256 HE22 0.04 0.00 -0.03 -0.04 7.69 7.66 5xinC1 ASP 257 H -0.11 0.01 0.05 -0.55 8.40 7.80 5xinC1 ASP 257 HA -0.06 0.01 0.37 -0.75 4.63 4.19 5xinC1 ASP 257 HB2 -0.23 0.22 -0.33 -0.04 2.71 2.33 5xinC1 ASP 257 HB3 -0.18 -0.16 0.08 -0.04 2.70 2.40 5xinC1 LEU 258 H -0.05 0.36 -0.04 -0.55 8.37 8.09 5xinC1 LEU 258 HA 0.06 0.22 0.51 -0.75 4.35 4.38 5xinC1 LEU 258 HB2 -0.03 -0.19 -0.16 -0.04 1.64 1.22 5xinC1 LEU 258 HB3 0.07 0.02 0.03 -0.04 1.64 1.71 5xinC1 LEU 258 HG -0.03 -0.04 -0.20 -0.04 1.64 1.32 5xinC1 LEU 258 HD13 0.00 -0.02 -0.28 -0.04 0.93 0.59 5xinC1 LEU 258 HD23 0.08 0.04 -0.08 -0.04 0.89 0.90 5xinC1 VAL 259 H -0.07 0.15 0.10 -0.55 8.24 7.87 5xinC1 VAL 259 HA -0.33 0.08 0.35 -0.75 4.13 3.48 5xinC1 VAL 259 HB -1.15 -0.06 -0.02 -0.04 2.12 0.85 5xinC1 VAL 259 HG13 -0.59 0.06 -0.31 -0.04 0.97 0.10 5xinC1 VAL 259 HG23 -0.28 0.03 0.04 -0.04 0.95 0.70 5xinC1 PHE 260 H -0.11 0.18 0.05 -0.55 8.34 7.91 5xinC1 PHE 260 HA -0.05 -0.04 0.05 -0.75 4.62 3.83 5xinC1 PHE 260 HB2 0.18 0.00 -0.18 -0.04 3.15 3.11 5xinC1 PHE 260 HB3 0.03 0.11 0.06 -0.04 3.06 3.21 5xinC1 PHE 260 HD2 0.11 0.03 -0.03 -0.04 7.28 7.35 5xinC1 PHE 260 HE2 0.04 0.01 -0.04 -0.04 7.38 7.35 5xinC1 PHE 260 HZ 0.03 0.12 0.02 -0.04 7.32 7.46 5xinC1 GLY 261 H -0.48 0.07 0.05 -0.55 8.43 7.52 5xinC1 GLY 261 HA2 -0.47 -0.04 0.25 -0.51 4.01 3.24 5xinC1 GLY 261 HA3 -0.37 0.25 0.48 -0.51 4.01 3.86 5xinC1 HIS 262 H -0.03 0.53 -0.34 -0.55 8.41 8.02 5xinC1 HIS 262 HA -0.07 0.19 0.52 -0.75 4.63 4.52 5xinC1 HIS 262 HB2 -0.06 0.04 -0.04 -0.04 3.26 3.16 5xinC1 HIS 262 HB3 -0.01 -0.01 0.04 -0.04 3.20 3.17 5xinC1 HIS 262 HD2 -0.11 -0.03 -0.56 -0.04 6.97 6.24 5xinC1 HIS 262 HE1 -0.03 0.01 -0.04 -0.04 7.75 7.64 5xinC1 GLY 263 H -0.13 -0.08 -0.36 -0.55 8.43 7.31 5xinC1 GLY 263 HA2 -0.79 0.24 0.62 -0.51 4.01 3.57 5xinC1 GLY 263 HA3 -0.39 -0.21 0.31 -0.51 4.01 3.21 5xinC1 ASP 264 H -0.15 0.06 0.14 -0.55 8.40 7.90 5xinC1 ASP 264 HA -0.03 0.19 0.75 -0.75 4.63 4.79 5xinC1 ASP 264 HB2 -0.04 0.13 0.18 -0.04 2.71 2.94 5xinC1 ASP 264 HB3 -0.04 -0.06 0.27 -0.04 2.70 2.83 5xinC1 LEU 265 H -0.04 0.41 0.04 -0.55 8.37 8.23 5xinC1 LEU 265 HA -0.10 0.07 0.51 -0.75 4.35 4.08 5xinC1 LEU 265 HB2 -0.06 0.21 0.06 -0.04 1.64 1.80 5xinC1 LEU 265 HB3 -0.05 -0.03 0.10 -0.04 1.64 1.62 5xinC1 LEU 265 HG -0.08 -0.06 -0.22 -0.04 1.64 1.24 5xinC1 LEU 265 HD13 -0.10 0.02 0.06 -0.04 0.93 0.88 5xinC1 LEU 265 HD23 -0.08 0.03 -0.03 -0.04 0.89 0.77 5xinC1 LEU 266 H -0.01 0.15 -0.03 -0.55 8.37 7.93 5xinC1 LEU 266 HA 0.05 0.16 0.48 -0.75 4.35 4.29 5xinC1 LEU 266 HB2 0.01 -0.05 0.09 -0.04 1.64 1.65 5xinC1 LEU 266 HB3 0.03 0.05 0.02 -0.04 1.64 1.71 5xinC1 LEU 266 HG -0.02 -0.03 0.07 -0.04 1.64 1.62 5xinC1 LEU 266 HD13 -0.01 0.02 0.02 -0.04 0.93 0.92 5xinC1 LEU 266 HD23 -0.04 0.03 0.01 -0.04 0.89 0.85 5xinC1 ASN 267 H 0.02 0.09 -0.27 -0.55 8.53 7.83 5xinC1 ASN 267 HA 0.05 0.07 0.51 -0.75 4.76 4.63 5xinC1 ASN 267 HB2 0.04 0.03 0.11 -0.04 2.88 3.01 5xinC1 ASN 267 HB3 0.06 0.09 0.08 -0.04 2.79 2.97 5xinC1 ASN 267 HD21 0.04 -0.14 0.06 -0.04 7.03 6.95 5xinC1 ASN 267 HD22 0.03 0.13 0.03 -0.04 7.74 7.88 5xinC1 ALA 268 H -0.01 0.36 -0.24 -0.55 8.40 7.96 5xinC1 ALA 268 HA 0.14 -0.01 0.52 -0.75 4.34 4.23 5xinC1 ALA 268 HB3 -0.42 0.03 0.11 -0.04 1.41 1.09 5xinC1 PHE 269 H 0.14 0.45 -0.16 -0.55 8.34 8.22 5xinC1 PHE 269 HA -0.04 0.08 0.45 -0.75 4.62 4.35 5xinC1 PHE 269 HB2 -0.07 0.04 0.12 -0.04 3.15 3.20 5xinC1 PHE 269 HB3 -0.08 0.11 0.21 -0.04 3.06 3.27 5xinC1 PHE 269 HD2 -0.10 -0.03 0.01 -0.04 7.28 7.11 5xinC1 PHE 269 HE2 -0.25 -0.03 -0.17 -0.04 7.38 6.89 5xinC1 PHE 269 HZ -0.18 0.09 -0.13 -0.04 7.32 7.06 5xinC1 SER 270 H 0.02 0.42 -0.01 -0.55 8.46 8.34 5xinC1 SER 270 HA -0.33 0.11 0.43 -0.75 4.49 3.96 5xinC1 SER 270 HB2 -0.09 0.02 0.06 -0.04 3.95 3.89 5xinC1 SER 270 HB3 -0.07 0.04 0.09 -0.04 3.93 3.94 5xinC1 LEU 271 H 0.04 0.41 -0.35 -0.55 8.37 7.92 5xinC1 LEU 271 HA -0.01 0.00 0.43 -0.75 4.35 4.02 5xinC1 LEU 271 HB2 0.19 -0.11 0.12 -0.04 1.64 1.80 5xinC1 LEU 271 HB3 0.24 0.17 0.16 -0.04 1.64 2.18 5xinC1 LEU 271 HG 0.08 0.07 -0.36 -0.04 1.64 1.40 5xinC1 LEU 271 HD13 -0.07 -0.02 -0.03 -0.04 0.93 0.77 5xinC1 LEU 271 HD23 0.35 -0.02 -0.05 -0.04 0.89 1.14 5xinC1 VAL 272 H 0.00 0.46 -0.12 -0.55 8.24 8.03 5xinC1 VAL 272 HA -0.11 0.03 0.43 -0.75 4.13 3.73 5xinC1 VAL 272 HB -0.08 0.10 0.07 -0.04 2.12 2.17 5xinC1 VAL 272 HG13 -0.24 0.01 -0.15 -0.04 0.97 0.55 5xinC1 VAL 272 HG23 -0.24 0.02 0.02 -0.04 0.95 0.71 5xinC1 ASP 273 H -0.21 0.40 -0.25 -0.55 8.40 7.79 5xinC1 ASP 273 HA -0.10 0.02 0.41 -0.75 4.63 4.22 5xinC1 ASP 273 HB2 -0.46 0.01 0.11 -0.04 2.71 2.33 5xinC1 ASP 273 HB3 -0.27 0.05 0.17 -0.04 2.70 2.61 5xinC1 LEU 274 H -0.08 0.44 -0.19 -0.55 8.37 7.99 5xinC1 LEU 274 HA -0.02 0.10 0.31 -0.75 4.35 3.98 5xinC1 LEU 274 HB2 -0.05 -0.04 0.08 -0.04 1.64 1.59 5xinC1 LEU 274 HB3 -0.05 0.07 0.14 -0.04 1.64 1.76 5xinC1 LEU 274 HG -0.02 0.06 -0.32 -0.04 1.64 1.31 5xinC1 LEU 274 HD13 -0.02 0.00 -0.03 -0.04 0.93 0.84 5xinC1 LEU 274 HD23 -0.08 -0.04 -0.11 -0.04 0.89 0.62 5xinC1 LEU 275 H -0.00 0.47 -0.13 -0.55 8.37 8.17 5xinC1 LEU 275 HA 0.06 0.02 0.44 -0.75 4.35 4.12 5xinC1 LEU 275 HB2 0.11 0.04 0.05 -0.04 1.64 1.80 5xinC1 LEU 275 HB3 0.18 0.02 0.01 -0.04 1.64 1.81 5xinC1 LEU 275 HG 0.00 0.16 0.03 -0.04 1.64 1.79 5xinC1 LEU 275 HD13 0.10 -0.02 -0.09 -0.04 0.93 0.88 5xinC1 LEU 275 HD23 -0.09 -0.02 -0.09 -0.04 0.89 0.65 5xinC1 GLU 276 H 0.02 0.47 -0.21 -0.55 8.60 8.34 5xinC1 GLU 276 HA 0.05 0.08 0.87 -0.75 4.29 4.53 5xinC1 GLU 276 HB2 0.02 0.13 0.12 -0.04 2.09 2.31 5xinC1 GLU 276 HB3 0.05 -0.03 -0.02 -0.04 1.99 1.95 5xinC1 GLU 276 HG2 0.09 0.01 0.04 -0.04 2.34 2.44 5xinC1 GLU 276 HG3 0.11 -0.08 0.01 -0.04 2.34 2.34 5xinC1 ASN 277 H 0.00 0.61 -0.03 -0.55 8.53 8.57 5xinC1 ASN 277 HA 0.01 0.16 0.52 -0.75 4.76 4.70 5xinC1 ASN 277 HB2 -0.00 0.07 0.17 -0.04 2.88 3.08 5xinC1 ASN 277 HB3 -0.00 -0.02 0.09 -0.04 2.79 2.82 5xinC1 ASN 277 HD21 0.02 -0.13 -0.40 -0.04 7.03 6.48 5xinC1 ASN 277 HD22 0.01 -0.06 -0.01 -0.04 7.74 7.64 5xinC1 GLY 278 H 0.01 0.40 -0.77 -0.55 8.43 7.53 5xinC1 GLY 278 HA2 0.02 0.05 0.38 -0.51 4.01 3.94 5xinC1 GLY 278 HA3 0.02 0.04 0.03 -0.51 4.01 3.59 5xinC1 PRO 279 HA 0.01 0.02 0.31 -0.51 4.44 4.26 5xinC1 PRO 279 HB2 0.01 -0.25 0.07 -0.04 2.28 2.06 5xinC1 PRO 279 HB3 0.01 -0.01 0.01 -0.04 2.02 1.99 5xinC1 PRO 279 HG2 0.02 0.08 0.04 -0.04 2.03 2.13 5xinC1 PRO 279 HG3 0.02 0.01 0.07 -0.04 2.03 2.09 5xinC1 PRO 279 HD2 0.02 0.11 0.09 -0.04 3.68 3.86 5xinC1 PRO 279 HD3 0.02 0.09 0.12 -0.04 3.65 3.84 5xinC1 ASP 280 H 0.00 0.09 -0.13 -0.55 8.40 7.81 5xinC1 ASP 280 HA -0.00 0.07 0.51 -0.75 4.63 4.45 5xinC1 GLY 281 H -0.00 -0.89 0.21 -0.55 8.43 7.20 5xinC1 GLY 281 HA2 -0.00 0.24 0.54 -0.51 4.01 4.27 5xinC1 GLY 281 HA3 -0.00 -0.08 0.24 -0.51 4.01 3.67 5xinC1 ALA 282 H -0.00 -1.12 0.17 -0.55 8.40 6.90 5xinC1 ALA 282 HA -0.01 0.12 0.45 -0.75 4.34 4.16 5xinC1 ALA 282 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.39 5xinC1 PRO 283 HA 0.02 0.11 0.45 -0.51 4.44 4.50 5xinC1 PRO 283 HB2 -0.03 0.02 -0.03 -0.04 2.28 2.20 5xinC1 PRO 283 HB3 0.02 0.14 0.28 -0.04 2.02 2.41 5xinC1 PRO 283 HG2 -0.05 0.02 0.11 -0.04 2.03 2.07 5xinC1 PRO 283 HG3 -0.01 0.03 0.17 -0.04 2.03 2.18 5xinC1 PRO 283 HD2 -0.03 0.01 0.20 -0.04 3.68 3.83 5xinC1 PRO 283 HD3 -0.01 0.12 0.26 -0.04 3.65 3.98 5xinC1 ALA 284 H 0.05 0.47 0.13 -0.55 8.40 8.49 5xinC1 ALA 284 HA 0.04 0.07 0.65 -0.75 4.34 4.35 5xinC1 ALA 284 HB3 0.05 -0.00 0.10 -0.04 1.41 1.52 5xinC1 TYR 285 H 0.11 0.35 0.03 -0.55 8.29 8.23 5xinC1 TYR 285 HA -0.01 0.08 0.75 -0.75 4.56 4.63 5xinC1 TYR 285 HB2 -0.00 0.01 -0.10 -0.04 3.06 2.93 5xinC1 TYR 285 HB3 -0.01 -0.00 0.05 -0.04 2.98 2.98 5xinC1 TYR 285 HD2 -0.01 0.07 -0.08 -0.04 7.15 7.08 5xinC1 TYR 285 HE2 -0.06 0.16 -0.34 -0.04 6.85 6.57 5xinC1 ASP 286 H -0.33 0.14 0.06 -0.55 8.40 7.72 5xinC1 ASP 286 HA -0.31 0.22 0.77 -0.75 4.63 4.56 5xinC1 ASP 286 HB2 -0.17 -0.00 0.09 -0.04 2.71 2.58 5xinC1 ASP 286 HB3 -0.13 0.01 -0.08 -0.04 2.70 2.46 5xinC1 GLY 287 H -1.76 -0.01 -0.11 -0.55 8.43 6.01 5xinC1 GLY 287 HA2 -0.28 0.13 0.59 -0.51 4.01 3.94 5xinC1 GLY 287 HA3 -0.38 0.03 0.27 -0.51 4.01 3.41 5xinC1 PRO 288 HA -0.16 0.25 0.46 -0.51 4.44 4.47 5xinC1 PRO 288 HB2 -0.08 -0.11 -0.13 -0.04 2.28 1.91 5xinC1 PRO 288 HB3 0.20 0.03 -0.03 -0.04 2.02 2.17 5xinC1 PRO 288 HG2 0.20 -0.04 -0.00 -0.04 2.03 2.14 5xinC1 PRO 288 HG3 0.15 0.06 0.02 -0.04 2.03 2.22 5xinC1 PRO 288 HD2 0.04 0.08 0.18 -0.04 3.68 3.94 5xinC1 PRO 288 HD3 -0.02 0.18 0.19 -0.04 3.65 3.97 5xinC1 ARG 289 H -0.23 0.81 0.25 -0.55 8.46 8.74 5xinC1 ARG 289 HA -0.22 0.05 0.68 -0.75 4.34 4.11 5xinC1 ARG 289 HB2 -0.39 0.15 0.13 -0.04 1.90 1.75 5xinC1 ARG 289 HB3 -0.52 -0.15 0.05 -0.04 1.80 1.14 5xinC1 ARG 289 HG2 -0.77 -0.06 -0.02 -0.04 1.67 0.78 5xinC1 ARG 289 HG3 -0.15 -0.08 -0.03 -0.04 1.67 1.37 5xinC1 ARG 289 HD2 -0.15 0.07 -0.33 -0.04 3.22 2.77 5xinC1 ARG 289 HD3 -0.45 0.29 0.04 -0.04 3.22 3.05 5xinC1 HIS 290 H -0.24 0.39 -0.01 -0.55 8.41 8.01 5xinC1 HIS 290 HA -0.33 0.21 0.84 -0.75 4.63 4.60 5xinC1 HIS 290 HB2 -0.13 0.01 -0.12 -0.04 3.26 2.99 5xinC1 HIS 290 HB3 -0.14 0.28 0.16 -0.04 3.20 3.45 5xinC1 HIS 290 HD2 0.04 -0.01 -0.47 -0.04 6.97 6.48 5xinC1 HIS 290 HE1 0.28 -0.08 -0.22 -0.04 7.75 7.69 5xinC1 PHE 291 H -0.63 0.69 0.36 -0.55 8.34 8.21 5xinC1 PHE 291 HA -0.27 0.19 0.94 -0.75 4.62 4.73 5xinC1 PHE 291 HB2 -0.75 0.00 0.26 -0.04 3.15 2.63 5xinC1 PHE 291 HB3 -0.30 -0.05 0.06 -0.04 3.06 2.73 5xinC1 PHE 291 HD2 -0.84 0.04 -0.01 -0.04 7.28 6.43 5xinC1 PHE 291 HE2 -0.42 -0.01 -0.08 -0.04 7.38 6.82 5xinC1 PHE 291 HZ -0.41 0.06 -0.15 -0.04 7.32 6.78 5xinC1 ASP 292 H -0.03 0.35 0.05 -0.55 8.40 8.23 5xinC1 ASP 292 HA -0.08 0.06 0.75 -0.75 4.63 4.61 5xinC1 ASP 292 HB2 0.17 0.01 -0.09 -0.04 2.71 2.75 5xinC1 ASP 292 HB3 0.03 -0.06 0.08 -0.04 2.70 2.71 5xinC1 TYR 293 H 0.17 0.22 -0.04 -0.55 8.29 8.09 5xinC1 TYR 293 HA -0.09 0.09 0.67 -0.75 4.56 4.48 5xinC1 TYR 293 HB2 -0.06 0.18 -0.29 -0.04 3.06 2.85 5xinC1 TYR 293 HB3 -0.02 -0.06 -0.24 -0.04 2.98 2.63 5xinC1 TYR 293 HD2 -0.02 0.00 -0.24 -0.04 7.15 6.85 5xinC1 TYR 293 HE2 0.06 -0.04 -0.18 -0.04 6.85 6.66 5xinC1 LYS 294 H -0.18 0.80 0.23 -0.55 8.42 8.72 5xinC1 LYS 294 HA -0.54 0.23 0.84 -0.75 4.32 4.10 5xinC1 LYS 294 HB2 -0.49 0.04 0.02 -0.04 1.87 1.40 5xinC1 LYS 294 HB3 -0.63 0.10 -0.15 -0.04 1.79 1.06 5xinC1 LYS 294 HG2 -0.87 0.09 0.03 -0.04 1.46 0.68 5xinC1 LYS 294 HG3 -0.52 -0.10 -0.39 -0.04 1.46 0.42 5xinC1 LYS 294 HD2 -0.83 0.00 -0.16 -0.04 1.69 0.66 5xinC1 LYS 294 HD3 -2.90 -0.01 -0.10 -0.04 1.68 -1.37 5xinC1 LYS 294 HE2 -0.88 -0.02 -0.08 -0.04 2.99 1.96 5xinC1 LYS 294 HE3 -1.57 0.01 -0.05 -0.04 2.99 1.34 5xinC1 PRO 295 HA 0.09 -0.05 0.46 -0.51 4.44 4.42 5xinC1 PRO 295 HB2 -0.07 0.11 -0.05 -0.04 2.28 2.23 5xinC1 PRO 295 HB3 -0.04 -0.02 -0.01 -0.04 2.02 1.91 5xinC1 PRO 295 HG2 -0.21 0.11 0.04 -0.04 2.03 1.93 5xinC1 PRO 295 HG3 -0.24 -0.03 -0.07 -0.04 2.03 1.66 5xinC1 PRO 295 HD2 0.12 0.17 0.17 -0.04 3.68 4.10 5xinC1 PRO 295 HD3 -0.49 0.17 0.03 -0.04 3.65 3.32 5xinC1 SER 296 H 0.11 0.04 0.15 -0.55 8.46 8.20 5xinC1 SER 296 HA 0.23 0.09 0.33 -0.75 4.49 4.38 5xinC1 SER 296 HB2 0.08 -0.02 0.09 -0.04 3.95 4.06 5xinC1 SER 296 HB3 0.10 -0.09 0.03 -0.04 3.93 3.93 5xinC1 ARG 297 H 0.23 0.12 0.14 -0.55 8.46 8.40 5xinC1 ARG 297 HA -0.09 0.17 0.34 -0.75 4.34 4.00 5xinC1 ARG 297 HB2 0.15 -0.02 0.12 -0.04 1.90 2.10 5xinC1 ARG 297 HB3 0.06 -0.06 0.06 -0.04 1.80 1.82 5xinC1 ARG 297 HG2 -0.06 -0.02 -0.00 -0.04 1.67 1.55 5xinC1 ARG 297 HG3 -0.20 0.08 0.20 -0.04 1.67 1.71 5xinC1 ARG 297 HD2 0.02 -0.08 -0.02 -0.04 3.22 3.09 5xinC1 ARG 297 HD3 0.03 -0.10 -0.02 -0.04 3.22 3.09 5xinC1 THR 298 H 0.04 -0.03 -0.42 -0.55 8.28 7.32 5xinC1 THR 298 HA -0.01 0.13 0.43 -0.75 4.39 4.18 5xinC1 THR 298 HB 0.01 0.01 0.07 -0.04 4.32 4.37 5xinC1 THR 298 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.18 5xinC1 GLU 299 H -0.03 0.47 -0.36 -0.55 8.60 8.14 5xinC1 GLU 299 HA -0.03 0.06 0.76 -0.75 4.29 4.33 5xinC1 GLU 299 HB2 -0.07 0.18 -0.11 -0.04 2.09 2.05 5xinC1 GLU 299 HB3 -0.05 -0.18 0.02 -0.04 1.99 1.74 5xinC1 GLU 299 HG2 0.02 -0.03 -0.10 -0.04 2.34 2.19 5xinC1 GLU 299 HG3 0.02 -0.04 -0.07 -0.04 2.34 2.20 5xinC1 ASP 300 H -0.04 -0.02 0.16 -0.55 8.40 7.96 5xinC1 ASP 300 HA -0.13 0.33 0.71 -0.75 4.63 4.79 5xinC1 ASP 300 HB2 0.03 -0.06 0.23 -0.04 2.71 2.86 5xinC1 ASP 300 HB3 -0.01 0.17 0.07 -0.04 2.70 2.89 5xinC1 TYR 301 H 0.10 0.22 0.18 -0.55 8.29 8.24 5xinC1 TYR 301 HA -0.13 0.12 0.45 -0.75 4.56 4.24 5xinC1 TYR 301 HB2 0.07 0.01 0.17 -0.04 3.06 3.26 5xinC1 TYR 301 HB3 0.21 0.04 0.07 -0.04 2.98 3.25 5xinC1 TYR 301 HD2 -0.12 -0.07 0.07 -0.04 7.15 6.99 5xinC1 TYR 301 HE2 -0.06 0.07 -0.02 -0.04 6.85 6.80 5xinC1 ASP 302 H 0.11 0.08 -0.20 -0.55 8.40 7.85 5xinC1 ASP 302 HA 0.23 0.14 0.41 -0.75 4.63 4.66 5xinC1 ASP 302 HB2 0.07 -0.04 0.02 -0.04 2.71 2.72 5xinC1 ASP 302 HB3 0.09 0.07 -0.03 -0.04 2.70 2.79 5xinC1 GLY 303 H 0.00 0.08 -0.25 -0.55 8.43 7.72 5xinC1 GLY 303 HA2 0.02 0.07 0.48 -0.51 4.01 4.07 5xinC1 GLY 303 HA3 -0.02 0.05 0.27 -0.51 4.01 3.79 5xinC1 VAL 304 H -0.19 0.40 -0.16 -0.55 8.24 7.74 5xinC1 VAL 304 HA -0.24 0.02 0.37 -0.75 4.13 3.53 5xinC1 VAL 304 HB -0.59 0.07 0.17 -0.04 2.12 1.74 5xinC1 VAL 304 HG13 -0.99 0.01 -0.06 -0.04 0.97 -0.10 5xinC1 VAL 304 HG23 -0.57 0.07 -0.11 -0.04 0.95 0.29 5xinC1 TRP 305 H -0.21 0.47 -0.13 -0.55 7.97 7.55 5xinC1 TRP 305 HA 0.00 0.03 0.41 -0.75 4.62 4.31 5xinC1 TRP 305 HB2 0.04 0.06 0.12 -0.04 3.23 3.40 5xinC1 TRP 305 HB3 0.01 0.03 0.08 -0.04 3.23 3.30 5xinC1 TRP 305 HD1 0.10 0.01 0.01 -0.04 7.22 7.30 5xinC1 TRP 305 HE1 0.06 -0.05 -0.01 -0.04 10.20 10.17 5xinC1 TRP 305 HE3 -0.06 -0.01 -0.02 -0.04 7.59 7.45 5xinC1 TRP 305 HZ2 0.03 -0.03 -0.08 -0.04 7.44 7.32 5xinC1 TRP 305 HZ3 -0.13 0.01 -0.10 -0.04 7.13 6.86 5xinC1 TRP 305 HH2 0.01 -0.02 -0.04 -0.04 7.19 7.10 5xinC1 GLU 306 H 0.10 0.41 -0.29 -0.55 8.60 8.28 5xinC1 GLU 306 HA 0.08 0.06 0.43 -0.75 4.29 4.10 5xinC1 GLU 306 HB2 0.05 0.09 0.24 -0.04 2.09 2.42 5xinC1 GLU 306 HB3 0.05 -0.04 -0.05 -0.04 1.99 1.90 5xinC1 GLU 306 HG2 0.09 0.06 0.06 -0.04 2.34 2.50 5xinC1 GLU 306 HG3 0.05 -0.06 -0.00 -0.04 2.34 2.29 5xinC1 SER 307 H 0.02 0.59 -0.15 -0.55 8.46 8.36 5xinC1 SER 307 HA -0.03 -0.01 0.52 -0.75 4.49 4.22 5xinC1 SER 307 HB2 0.15 -0.12 0.07 -0.04 3.95 4.01 5xinC1 SER 307 HB3 0.06 0.07 0.11 -0.04 3.93 4.13 5xinC1 ALA 308 H 0.02 0.44 -0.20 -0.55 8.40 8.11 5xinC1 ALA 308 HA -0.09 -0.02 0.39 -0.75 4.34 3.87 5xinC1 ALA 308 HB3 -0.14 0.03 0.08 -0.04 1.41 1.33 5xinC1 LYS 309 H 0.03 0.49 -0.09 -0.55 8.42 8.30 5xinC1 LYS 309 HA -0.01 0.08 0.39 -0.75 4.32 4.03 5xinC1 LYS 309 HB2 0.03 0.10 0.15 -0.04 1.87 2.11 5xinC1 LYS 309 HB3 0.01 -0.02 0.00 -0.04 1.79 1.75 5xinC1 LYS 309 HG2 0.04 0.06 0.10 -0.04 1.46 1.62 5xinC1 LYS 309 HG3 0.08 0.02 0.12 -0.04 1.46 1.63 5xinC1 LYS 309 HD2 0.07 -0.03 0.00 -0.04 1.69 1.69 5xinC1 LYS 309 HD3 0.04 -0.00 0.02 -0.04 1.68 1.70 5xinC1 LYS 309 HE2 0.05 0.03 0.01 -0.04 2.99 3.04 5xinC1 LYS 309 HE3 0.12 -0.04 -0.06 -0.04 2.99 2.97 5xinC1 ALA 310 H -0.07 0.42 -0.34 -0.55 8.40 7.86 5xinC1 ALA 310 HA -0.05 0.03 0.44 -0.75 4.34 4.00 5xinC1 ALA 310 HB3 -0.07 0.03 0.10 -0.04 1.41 1.43 5xinC1 ASN 311 H -0.36 0.45 -0.28 -0.55 8.53 7.80 5xinC1 ASN 311 HA -0.50 -0.05 0.37 -0.75 4.76 3.83 5xinC1 ASN 311 HB2 -0.78 0.31 0.20 -0.04 2.88 2.57 5xinC1 ASN 311 HB3 -2.69 -0.02 -0.00 -0.04 2.79 0.04 5xinC1 ASN 311 HD21 -2.22 -0.12 -0.06 -0.04 7.03 4.59 5xinC1 ASN 311 HD22 -0.81 0.21 0.12 -0.04 7.74 7.22 5xinC1 ILE 312 H -0.35 0.34 -0.13 -0.55 8.25 7.56 5xinC1 ILE 312 HA -0.67 0.00 0.39 -0.75 4.18 3.15 5xinC1 ILE 312 HB -0.12 0.13 0.15 -0.04 1.89 2.01 5xinC1 ILE 312 HG12 -0.71 -0.03 -0.02 -0.04 1.49 0.69 5xinC1 ILE 312 HG13 -0.18 -0.06 0.01 -0.04 1.21 0.94 5xinC1 ILE 312 HG23 -0.11 0.02 -0.10 -0.04 0.93 0.69 5xinC1 ILE 312 HD13 0.23 0.01 -0.14 -0.04 0.88 0.94 5xinC1 ARG 313 H -0.11 0.54 -0.18 -0.55 8.46 8.15 5xinC1 ARG 313 HA 0.03 0.05 0.45 -0.75 4.34 4.12 5xinC1 ARG 313 HB2 -0.00 0.06 0.10 -0.04 1.90 2.01 5xinC1 ARG 313 HB3 -0.02 0.02 0.15 -0.04 1.80 1.91 5xinC1 ARG 313 HG2 0.02 -0.05 -0.05 -0.04 1.67 1.55 5xinC1 ARG 313 HG3 0.03 -0.03 0.02 -0.04 1.67 1.65 5xinC1 ARG 313 HD2 0.03 0.10 0.03 -0.04 3.22 3.33 5xinC1 ARG 313 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.14 5xinC1 MET 314 H -0.03 0.75 -0.04 -0.55 8.47 8.59 5xinC1 MET 314 HA 0.04 -0.00 0.39 -0.75 4.52 4.19 5xinC1 MET 314 HB2 0.04 0.09 0.12 -0.04 2.15 2.36 5xinC1 MET 314 HB3 -0.04 -0.14 -0.06 -0.04 2.03 1.75 5xinC1 MET 314 HG2 -0.01 0.14 0.03 -0.04 2.63 2.75 5xinC1 MET 314 HG3 -0.04 0.09 -0.02 -0.04 2.56 2.54 5xinC1 MET 314 HE3 -0.05 -0.03 -0.01 -0.04 2.10 1.97 5xinC1 TYR 315 H 0.27 0.50 -0.14 -0.55 8.29 8.37 5xinC1 TYR 315 HA 0.37 -0.06 0.37 -0.75 4.56 4.50 5xinC1 TYR 315 HB2 0.32 -0.00 0.09 -0.04 3.06 3.43 5xinC1 TYR 315 HB3 0.17 0.13 0.10 -0.04 2.98 3.34 5xinC1 TYR 315 HD2 0.11 -0.02 -0.20 -0.04 7.15 7.00 5xinC1 TYR 315 HE2 -0.01 -0.00 -0.05 -0.04 6.85 6.75 5xinC1 LEU 316 H 0.26 0.62 -0.07 -0.55 8.37 8.63 5xinC1 LEU 316 HA 0.30 -0.02 0.44 -0.75 4.35 4.32 5xinC1 LEU 316 HB2 0.15 0.13 0.09 -0.04 1.64 1.96 5xinC1 LEU 316 HB3 0.16 -0.03 -0.05 -0.04 1.64 1.69 5xinC1 LEU 316 HG 0.32 0.10 0.03 -0.04 1.64 2.04 5xinC1 LEU 316 HD13 0.19 -0.01 -0.34 -0.04 0.93 0.72 5xinC1 LEU 316 HD23 0.35 -0.03 -0.05 -0.04 0.89 1.12 5xinC1 LEU 317 H 0.11 0.63 -0.15 -0.55 8.37 8.42 5xinC1 LEU 317 HA 0.08 0.03 0.50 -0.75 4.35 4.21 5xinC1 LEU 317 HB2 0.05 0.06 0.16 -0.04 1.64 1.87 5xinC1 LEU 317 HB3 0.04 -0.05 0.04 -0.04 1.64 1.63 5xinC1 LEU 317 HG 0.05 0.19 0.09 -0.04 1.64 1.93 5xinC1 LEU 317 HD13 0.02 -0.04 -0.06 -0.04 0.93 0.82 5xinC1 LEU 317 HD23 0.04 -0.01 0.02 -0.04 0.89 0.89 5xinC1 LEU 318 H 0.10 0.63 -0.08 -0.55 8.37 8.47 5xinC1 LEU 318 HA 0.17 0.00 0.51 -0.75 4.35 4.28 5xinC1 LEU 318 HB2 0.05 0.14 0.14 -0.04 1.64 1.92 5xinC1 LEU 318 HB3 0.16 -0.10 0.02 -0.04 1.64 1.69 5xinC1 LEU 318 HG 0.03 0.22 0.05 -0.04 1.64 1.90 5xinC1 LEU 318 HD13 -0.06 -0.05 -0.23 -0.04 0.93 0.56 5xinC1 LEU 318 HD23 0.06 -0.03 -0.02 -0.04 0.89 0.87 5xinC1 LYS 319 H 0.08 0.62 -0.14 -0.55 8.42 8.43 5xinC1 LYS 319 HA 0.03 -0.01 0.34 -0.75 4.32 3.93 5xinC1 LYS 319 HB2 0.12 0.06 0.10 -0.04 1.87 2.11 5xinC1 LYS 319 HB3 0.16 0.13 0.16 -0.04 1.79 2.19 5xinC1 LYS 319 HG2 0.10 -0.03 -0.19 -0.04 1.46 1.30 5xinC1 LYS 319 HG3 0.09 -0.02 0.02 -0.04 1.46 1.51 5xinC1 LYS 319 HD2 0.28 0.00 -0.02 -0.04 1.69 1.91 5xinC1 LYS 319 HD3 0.19 0.01 -0.01 -0.04 1.68 1.82 5xinC1 LYS 319 HE2 0.08 -0.02 -0.04 -0.04 2.99 2.96 5xinC1 LYS 319 HE3 0.09 0.03 -0.02 -0.04 2.99 3.06 5xinC1 GLU 320 H 0.11 0.52 -0.18 -0.55 8.60 8.50 5xinC1 GLU 320 HA 0.09 0.00 0.41 -0.75 4.29 4.04 5xinC1 GLU 320 HB2 0.09 0.09 0.17 -0.04 2.09 2.40 5xinC1 GLU 320 HB3 0.09 0.22 0.20 -0.04 1.99 2.46 5xinC1 GLU 320 HG2 0.08 -0.04 -0.14 -0.04 2.34 2.20 5xinC1 GLU 320 HG3 0.07 -0.05 0.05 -0.04 2.34 2.37 5xinC1 ARG 321 H 0.15 0.41 -0.20 -0.55 8.46 8.28 5xinC1 ARG 321 HA 0.19 0.03 0.53 -0.75 4.34 4.34 5xinC1 ARG 321 HB2 0.19 0.05 0.12 -0.04 1.90 2.22 5xinC1 ARG 321 HB3 0.10 -0.08 -0.14 -0.04 1.80 1.64 5xinC1 ARG 321 HG2 0.06 0.09 0.07 -0.04 1.67 1.85 5xinC1 ARG 321 HG3 0.09 -0.08 0.02 -0.04 1.67 1.66 5xinC1 ARG 321 HD2 0.02 0.11 -0.01 -0.04 3.22 3.30 5xinC1 ARG 321 HD3 -0.09 -0.02 0.13 -0.04 3.22 3.19 5xinC1 ALA 322 H 0.22 0.52 -0.18 -0.55 8.40 8.41 5xinC1 ALA 322 HA 0.08 -0.03 0.40 -0.75 4.34 4.03 5xinC1 ALA 322 HB3 -0.06 0.04 0.07 -0.04 1.41 1.43 5xinC1 LYS 323 H 0.10 0.63 -0.13 -0.55 8.42 8.46 5xinC1 LYS 323 HA 0.04 0.05 0.34 -0.75 4.32 3.99 5xinC1 LYS 323 HB2 0.07 0.12 0.14 -0.04 1.87 2.16 5xinC1 LYS 323 HB3 0.04 -0.06 -0.00 -0.04 1.79 1.72 5xinC1 LYS 323 HG2 0.06 0.18 0.09 -0.04 1.46 1.75 5xinC1 LYS 323 HG3 0.06 -0.06 -0.03 -0.04 1.46 1.39 5xinC1 LYS 323 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.62 5xinC1 LYS 323 HD3 0.03 -0.02 -0.01 -0.04 1.68 1.64 5xinC1 LYS 323 HE2 0.04 -0.03 -0.08 -0.04 2.99 2.88 5xinC1 LYS 323 HE3 0.05 -0.05 -0.05 -0.04 2.99 2.90 5xinC1 ALA 324 H 0.10 0.48 -0.14 -0.55 8.40 8.30 5xinC1 ALA 324 HA 0.04 -0.02 0.41 -0.75 4.34 4.01 5xinC1 ALA 324 HB3 0.18 0.02 0.12 -0.04 1.41 1.69 5xinC1 PHE 325 H 0.11 0.57 -0.29 -0.55 8.34 8.17 5xinC1 PHE 325 HA -1.02 -0.07 0.43 -0.75 4.62 3.21 5xinC1 PHE 325 HB2 0.06 0.00 0.15 -0.04 3.15 3.32 5xinC1 PHE 325 HB3 -0.01 0.23 0.24 -0.04 3.06 3.47 5xinC1 PHE 325 HD2 -0.02 0.06 -0.02 -0.04 7.28 7.26 5xinC1 PHE 325 HE2 0.02 -0.02 -0.07 -0.04 7.38 7.28 5xinC1 PHE 325 HZ 0.04 -0.04 -0.05 -0.04 7.32 7.23 5xinC1 ARG 326 H -0.04 0.53 -0.09 -0.55 8.46 8.31 5xinC1 ARG 326 HA -0.44 -0.03 0.49 -0.75 4.34 3.61 5xinC1 ARG 326 HB2 -0.05 0.13 0.15 -0.04 1.90 2.08 5xinC1 ARG 326 HB3 -0.10 -0.03 0.06 -0.04 1.80 1.69 5xinC1 ARG 326 HG2 0.05 -0.00 0.07 -0.04 1.67 1.75 5xinC1 ARG 326 HG3 0.00 0.04 0.03 -0.04 1.67 1.70 5xinC1 ARG 326 HD2 -0.07 0.05 0.00 -0.04 3.22 3.16 5xinC1 ARG 326 HD3 -0.29 -0.07 -0.01 -0.04 3.22 2.81 5xinC1 ALA 327 H -0.09 0.43 -0.25 -0.55 8.40 7.95 5xinC1 ALA 327 HA -0.06 0.07 0.47 -0.75 4.34 4.07 5xinC1 ALA 327 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.43 5xinC1 ASP 328 H -0.16 0.40 -0.43 -0.55 8.40 7.67 5xinC1 ASP 328 HA 0.02 0.14 0.74 -0.75 4.63 4.77 5xinC1 ASP 328 HB2 0.08 0.18 0.11 -0.04 2.71 3.04 5xinC1 ASP 328 HB3 -0.05 0.18 0.23 -0.04 2.70 3.02 5xinC1 PRO 329 HA -0.01 0.11 0.43 -0.51 4.44 4.46 5xinC1 PRO 329 HB2 0.01 -0.02 0.04 -0.04 2.28 2.28 5xinC1 PRO 329 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 5xinC1 PRO 329 HG2 0.01 0.02 0.12 -0.04 2.03 2.15 5xinC1 PRO 329 HG3 0.00 0.13 0.14 -0.04 2.03 2.26 5xinC1 PRO 329 HD2 0.03 0.02 0.26 -0.04 3.68 3.95 5xinC1 PRO 329 HD3 0.01 0.42 0.43 -0.04 3.65 4.46 5xinC1 GLU 330 H 0.04 0.16 -0.20 -0.55 8.60 8.05 5xinC1 GLU 330 HA 0.02 0.10 0.53 -0.75 4.29 4.19 5xinC1 GLU 330 HB2 0.07 0.02 0.05 -0.04 2.09 2.19 5xinC1 GLU 330 HB3 0.06 0.03 -0.05 -0.04 1.99 1.99 5xinC1 GLU 330 HG2 0.03 0.01 0.02 -0.04 2.34 2.36 5xinC1 GLU 330 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 5xinC1 VAL 331 H 0.00 0.23 -0.28 -0.55 8.24 7.64 5xinC1 VAL 331 HA 0.01 -0.01 0.53 -0.75 4.13 3.91 5xinC1 VAL 331 HB -0.22 0.30 0.26 -0.04 2.12 2.41 5xinC1 VAL 331 HG13 -0.76 0.00 -0.08 -0.04 0.97 0.10 5xinC1 VAL 331 HG23 0.10 -0.04 0.03 -0.04 0.95 1.00 5xinC1 GLN 332 H -0.07 0.62 0.00 -0.55 8.47 8.47 5xinC1 GLN 332 HA -0.06 0.04 0.31 -0.75 4.36 3.89 5xinC1 GLN 332 HB2 -0.03 0.05 0.15 -0.04 2.15 2.29 5xinC1 GLN 332 HB3 -0.03 -0.05 0.01 -0.04 2.02 1.92 5xinC1 GLN 332 HG2 -0.07 0.16 -0.11 -0.04 2.40 2.34 5xinC1 GLN 332 HG3 -0.04 -0.03 -0.02 -0.04 2.39 2.26 5xinC1 GLN 332 HE21 -0.13 -0.08 0.02 -0.04 6.97 6.75 5xinC1 GLN 332 HE22 -0.15 0.43 0.09 -0.04 7.69 8.01 5xinC1 GLU 333 H -0.01 0.44 -0.29 -0.55 8.60 8.20 5xinC1 GLU 333 HA 0.00 0.02 0.45 -0.75 4.29 4.01 5xinC1 GLU 333 HB2 0.01 0.04 0.13 -0.04 2.09 2.22 5xinC1 GLU 333 HB3 0.01 0.09 0.16 -0.04 1.99 2.21 5xinC1 GLU 333 HG2 0.01 -0.02 -0.25 -0.04 2.34 2.04 5xinC1 GLU 333 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 5xinC1 ALA 334 H 0.02 0.49 -0.18 -0.55 8.40 8.18 5xinC1 ALA 334 HA 0.05 -0.02 0.43 -0.75 4.34 4.04 5xinC1 ALA 334 HB3 0.08 0.00 0.12 -0.04 1.41 1.57 5xinC1 LEU 335 H 0.02 0.75 -0.13 -0.55 8.37 8.46 5xinC1 LEU 335 HA 0.09 -0.03 0.37 -0.75 4.35 4.03 5xinC1 LEU 335 HB2 -0.01 0.14 0.10 -0.04 1.64 1.83 5xinC1 LEU 335 HB3 0.02 -0.10 -0.01 -0.04 1.64 1.51 5xinC1 LEU 335 HG -0.02 0.05 -0.03 -0.04 1.64 1.60 5xinC1 LEU 335 HD13 -0.12 0.01 -0.09 -0.04 0.93 0.68 5xinC1 LEU 335 HD23 0.07 -0.02 -0.03 -0.04 0.89 0.87 5xinC1 ALA 336 H 0.02 0.56 -0.18 -0.55 8.40 8.25 5xinC1 ALA 336 HA 0.03 -0.05 0.47 -0.75 4.34 4.03 5xinC1 ALA 336 HB3 0.01 0.03 0.12 -0.04 1.41 1.53 5xinC1 ALA 337 H 0.02 0.58 -0.01 -0.55 8.40 8.45 5xinC1 ALA 337 HA -0.01 0.01 0.44 -0.75 4.34 4.03 5xinC1 ALA 337 HB3 -0.00 -0.01 0.10 -0.04 1.41 1.46 5xinC1 SER 338 H 0.08 0.41 -0.32 -0.55 8.46 8.08 5xinC1 SER 338 HA 0.04 0.24 0.69 -0.75 4.49 4.71 5xinC1 SER 338 HB2 0.22 0.01 0.10 -0.04 3.95 4.24 5xinC1 SER 338 HB3 0.51 -0.15 0.08 -0.04 3.93 4.33 5xinC1 LYS 339 H 0.08 0.37 -0.40 -0.55 8.42 7.92 5xinC1 LYS 339 HA 0.08 0.05 0.33 -0.75 4.32 4.03 5xinC1 LYS 339 HB2 0.25 0.21 -0.27 -0.04 1.87 2.01 5xinC1 LYS 339 HB3 0.14 -0.11 0.20 -0.04 1.79 1.98 5xinC1 LYS 339 HG2 0.05 -0.06 0.04 -0.04 1.46 1.44 5xinC1 LYS 339 HG3 0.02 0.17 -0.10 -0.04 1.46 1.51 5xinC1 LYS 339 HD2 0.09 0.03 -0.09 -0.04 1.69 1.68 5xinC1 LYS 339 HD3 0.09 -0.05 -0.02 -0.04 1.68 1.66 5xinC1 LYS 339 HE2 -0.08 0.07 -0.01 -0.04 2.99 2.93 5xinC1 LYS 339 HE3 -0.14 -0.01 -0.02 -0.04 2.99 2.77 5xinC1 VAL 340 H 0.13 0.39 -0.15 -0.55 8.24 8.06 5xinC1 VAL 340 HA 0.10 0.07 0.39 -0.75 4.13 3.93 5xinC1 VAL 340 HB 0.07 0.01 0.09 -0.04 2.12 2.26 5xinC1 VAL 340 HG13 0.04 0.00 -0.08 -0.04 0.97 0.89 5xinC1 VAL 340 HG23 0.16 0.00 -0.04 -0.04 0.95 1.03 5xinC1 ALA 341 H 0.05 0.13 -0.17 -0.55 8.40 7.85 5xinC1 ALA 341 HA 0.03 0.13 0.48 -0.75 4.34 4.22 5xinC1 ALA 341 HB3 0.02 0.02 0.02 -0.04 1.41 1.43 5xinC1 GLU 342 H 0.06 0.21 -0.37 -0.55 8.60 7.95 5xinC1 GLU 342 HA 0.04 0.03 0.36 -0.75 4.29 3.97 5xinC1 GLU 342 HB2 0.06 -0.08 0.10 -0.04 2.09 2.13 5xinC1 GLU 342 HB3 0.08 0.15 0.02 -0.04 1.99 2.20 5xinC1 GLU 342 HG2 0.05 0.05 -0.01 -0.04 2.34 2.39 5xinC1 GLU 342 HG3 0.04 -0.03 0.09 -0.04 2.34 2.40 5xinC1 LEU 343 H 0.05 0.36 -0.45 -0.55 8.37 7.79 5xinC1 LEU 343 HA 0.03 0.06 0.45 -0.75 4.35 4.13 5xinC1 LEU 343 HB2 0.03 0.02 0.10 -0.04 1.64 1.75 5xinC1 LEU 343 HB3 0.01 0.07 0.03 -0.04 1.64 1.71 5xinC1 LEU 343 HG -0.01 0.01 0.00 -0.04 1.64 1.60 5xinC1 LEU 343 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 5xinC1 LEU 343 HD23 -0.03 -0.02 -0.01 -0.04 0.89 0.78 5xinC1 LYS 344 H 0.03 0.33 -0.32 -0.55 8.42 7.90 5xinC1 LYS 344 HA 0.02 0.06 0.50 -0.75 4.32 4.14 5xinC1 LYS 344 HB2 0.02 0.10 0.01 -0.04 1.87 1.96 5xinC1 LYS 344 HB3 0.02 -0.06 0.09 -0.04 1.79 1.80 5xinC1 LYS 344 HG2 0.02 -0.03 -0.00 -0.04 1.46 1.41 5xinC1 LYS 344 HG3 0.02 -0.01 0.05 -0.04 1.46 1.48 5xinC1 LYS 344 HD2 0.02 -0.01 0.04 -0.04 1.69 1.70 5xinC1 LYS 344 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 5xinC1 LYS 344 HE2 0.02 0.00 -0.02 -0.04 2.99 2.95 5xinC1 LYS 344 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.90 5xinC1 THR 345 H 0.03 0.27 -0.44 -0.55 8.28 7.58 5xinC1 THR 345 HA 0.02 0.05 0.63 -0.75 4.39 4.34 5xinC1 THR 345 HB 0.03 0.12 0.10 -0.04 4.32 4.53 5xinC1 THR 345 HG23 0.02 0.04 -0.09 -0.04 1.22 1.14 5xinC1 PRO 346 HA 0.02 -0.00 0.37 -0.51 4.44 4.32 5xinC1 PRO 346 HB2 0.01 0.30 0.06 -0.04 2.28 2.61 5xinC1 PRO 346 HB3 0.02 -0.09 0.11 -0.04 2.02 2.02 5xinC1 PRO 346 HG2 0.02 -0.03 0.09 -0.04 2.03 2.07 5xinC1 PRO 346 HG3 0.02 0.06 0.09 -0.04 2.03 2.16 5xinC1 PRO 346 HD2 0.02 0.05 0.18 -0.04 3.68 3.89 5xinC1 PRO 346 HD3 0.02 0.25 0.30 -0.04 3.65 4.18 5xinC1 THR 347 H 0.02 0.06 0.17 -0.55 8.28 7.97 5xinC1 THR 347 HA 0.01 0.15 0.51 -0.75 4.39 4.31 5xinC1 THR 347 HB 0.01 -0.08 0.11 -0.04 4.32 4.31 5xinC1 THR 347 HG23 0.00 -0.02 -0.06 -0.04 1.22 1.11 5xinC1 LEU 348 H 0.01 0.00 -0.10 -0.55 8.37 7.73 5xinC1 LEU 348 HA 0.01 0.08 0.69 -0.75 4.35 4.38 5xinC1 LEU 348 HB2 0.01 -0.01 -0.02 -0.04 1.64 1.57 5xinC1 LEU 348 HB3 0.00 0.06 0.01 -0.04 1.64 1.67 5xinC1 LEU 348 HG 0.01 -0.09 -0.07 -0.04 1.64 1.45 5xinC1 LEU 348 HD13 0.02 0.03 -0.03 -0.04 0.93 0.90 5xinC1 LEU 348 HD23 0.01 0.01 -0.15 -0.04 0.89 0.71 5xinC1 ASN 349 H 0.00 0.04 0.11 -0.55 8.53 8.13 5xinC1 ASN 349 HA 0.01 0.17 0.46 -0.75 4.76 4.64 5xinC1 ASN 349 HB2 -0.00 -0.10 0.04 -0.04 2.88 2.78 5xinC1 ASN 349 HB3 0.00 0.07 0.05 -0.04 2.79 2.88 5xinC1 ASN 349 HD21 0.01 0.02 -0.01 -0.04 7.03 7.00 5xinC1 ASN 349 HD22 0.00 -0.06 -0.00 -0.04 7.74 7.64 5xinC1 PRO 350 HA -0.00 -0.00 0.47 -0.51 4.44 4.40 5xinC1 PRO 350 HB2 -0.00 0.00 0.09 -0.04 2.28 2.33 5xinC1 PRO 350 HB3 0.00 0.03 0.09 -0.04 2.02 2.11 5xinC1 PRO 350 HG2 0.00 0.04 0.09 -0.04 2.03 2.13 5xinC1 PRO 350 HG3 0.00 0.10 0.09 -0.04 2.03 2.19 5xinC1 PRO 350 HD2 0.00 0.08 0.19 -0.04 3.68 3.90 5xinC1 PRO 350 HD3 0.01 0.21 0.24 -0.04 3.65 4.06 5xinC1 GLY 351 H -0.01 0.15 0.18 -0.55 8.43 8.20 5xinC1 GLY 351 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.77 5xinC1 GLY 351 HA3 -0.01 0.08 0.48 -0.51 4.01 4.04 5xinC1 GLU 352 H -0.01 0.56 -0.20 -0.55 8.60 8.40 5xinC1 GLU 352 HA -0.04 0.01 0.63 -0.75 4.29 4.14 5xinC1 GLU 352 HB2 -0.01 0.16 0.01 -0.04 2.09 2.21 5xinC1 GLU 352 HB3 -0.01 -0.04 0.05 -0.04 1.99 1.95 5xinC1 GLU 352 HG2 -0.02 -0.03 -0.04 -0.04 2.34 2.20 5xinC1 GLU 352 HG3 -0.01 0.01 -0.04 -0.04 2.34 2.26 5xinC1 GLY 353 H -0.08 0.02 0.18 -0.55 8.43 8.00 5xinC1 GLY 353 HA2 -0.05 0.27 0.74 -0.51 4.01 4.47 5xinC1 GLY 353 HA3 -0.18 0.01 0.34 -0.51 4.01 3.67 5xinC1 TYR 354 H -0.18 0.23 0.16 -0.55 8.29 7.95 5xinC1 TYR 354 HA -0.02 0.13 0.43 -0.75 4.56 4.35 5xinC1 TYR 354 HB2 -0.02 0.06 0.08 -0.04 3.06 3.13 5xinC1 TYR 354 HB3 -0.02 0.07 0.12 -0.04 2.98 3.11 5xinC1 TYR 354 HD2 -0.01 0.03 -0.13 -0.04 7.15 6.99 5xinC1 TYR 354 HE2 -0.01 0.04 0.00 -0.04 6.85 6.84 5xinC1 ALA 355 H -0.68 0.08 -0.13 -0.55 8.40 7.11 5xinC1 ALA 355 HA 0.04 0.14 0.43 -0.75 4.34 4.19 5xinC1 ALA 355 HB3 -0.16 0.03 0.06 -0.04 1.41 1.29 5xinC1 GLU 356 H -0.11 0.00 -0.19 -0.55 8.60 7.76 5xinC1 GLU 356 HA -0.02 0.12 0.45 -0.75 4.29 4.08 5xinC1 GLU 356 HB2 -0.04 -0.03 0.11 -0.04 2.09 2.10 5xinC1 GLU 356 HB3 -0.02 0.06 -0.00 -0.04 1.99 1.99 5xinC1 GLU 356 HG2 -0.04 0.13 0.03 -0.04 2.34 2.42 5xinC1 GLU 356 HG3 -0.04 0.04 0.01 -0.04 2.34 2.31 5xinC1 LEU 357 H -0.01 0.50 -0.12 -0.55 8.37 8.19 5xinC1 LEU 357 HA 0.01 0.05 0.50 -0.75 4.35 4.14 5xinC1 LEU 357 HB2 0.01 0.02 0.04 -0.04 1.64 1.66 5xinC1 LEU 357 HB3 0.03 0.02 0.12 -0.04 1.64 1.77 5xinC1 LEU 357 HG -0.00 0.02 -0.11 -0.04 1.64 1.51 5xinC1 LEU 357 HD13 -0.00 0.00 0.03 -0.04 0.93 0.91 5xinC1 LEU 357 HD23 0.01 -0.00 -0.05 -0.04 0.89 0.80 5xinC1 LEU 358 H 0.04 0.59 -0.11 -0.55 8.37 8.34 5xinC1 LEU 358 HA -0.00 0.02 0.34 -0.75 4.35 3.95 5xinC1 LEU 358 HB2 0.05 0.09 0.12 -0.04 1.64 1.87 5xinC1 LEU 358 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 5xinC1 LEU 358 HG 0.08 0.12 0.10 -0.04 1.64 1.89 5xinC1 LEU 358 HD13 0.11 -0.04 -0.06 -0.04 0.93 0.90 5xinC1 LEU 358 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.80 5xinC1 ALA 359 H 0.01 0.22 -0.57 -0.55 8.40 7.51 5xinC1 ALA 359 HA 0.02 0.04 0.51 -0.75 4.34 4.16 5xinC1 ALA 359 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 5xinC1 ASP 360 H 0.02 0.55 -0.44 -0.55 8.40 7.99 5xinC1 ASP 360 HA 0.03 -0.04 0.74 -0.75 4.63 4.61 5xinC1 ASP 360 HB2 0.02 0.09 0.07 -0.04 2.71 2.84 5xinC1 ASP 360 HB3 0.02 0.19 0.26 -0.04 2.70 3.13 5xinC1 ARG 361 H 0.04 0.32 0.24 -0.55 8.46 8.51 5xinC1 ARG 361 HA 0.09 0.06 0.37 -0.75 4.34 4.11 5xinC1 ARG 361 HB2 0.04 0.03 0.14 -0.04 1.90 2.08 5xinC1 ARG 361 HB3 0.05 -0.04 0.04 -0.04 1.80 1.81 5xinC1 ARG 361 HG2 0.06 -0.01 0.04 -0.04 1.67 1.73 5xinC1 ARG 361 HG3 0.04 0.16 0.06 -0.04 1.67 1.89 5xinC1 ARG 361 HD2 0.04 0.02 0.03 -0.04 3.22 3.27 5xinC1 ARG 361 HD3 0.03 0.02 0.05 -0.04 3.22 3.28 5xinC1 SER 362 H 0.06 0.12 -0.24 -0.55 8.46 7.84 5xinC1 SER 362 HA 0.10 0.06 0.33 -0.75 4.49 4.23 5xinC1 SER 362 HB2 0.09 0.06 0.03 -0.04 3.95 4.09 5xinC1 SER 362 HB3 0.06 -0.01 0.04 -0.04 3.93 3.98 5xinC1 ALA 363 H 0.07 0.47 -0.38 -0.55 8.40 8.00 5xinC1 ALA 363 HA -0.10 0.11 0.52 -0.75 4.34 4.12 5xinC1 ALA 363 HB3 0.01 0.04 0.09 -0.04 1.41 1.51 5xinC1 PHE 364 H 0.15 0.18 -0.57 -0.55 8.34 7.55 5xinC1 PHE 364 HA 0.04 0.09 0.50 -0.75 4.62 4.49 5xinC1 PHE 364 HB2 -0.02 0.22 -0.36 -0.04 3.15 2.95 5xinC1 PHE 364 HB3 0.01 -0.07 -0.02 -0.04 3.06 2.93 5xinC1 PHE 364 HD2 0.00 0.03 -0.00 -0.04 7.28 7.27 5xinC1 PHE 364 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.32 5xinC1 PHE 364 HZ 0.02 -0.03 -0.02 -0.04 7.32 7.25 5xinC1 GLU 365 H 0.24 0.17 0.20 -0.55 8.60 8.66 5xinC1 GLU 365 HA -0.02 0.07 0.42 -0.75 4.29 4.00 5xinC1 GLU 365 HB2 0.09 -0.04 0.20 -0.04 2.09 2.31 5xinC1 GLU 365 HB3 0.06 0.00 0.07 -0.04 1.99 2.09 5xinC1 GLU 365 HG2 0.11 -0.00 0.05 -0.04 2.34 2.46 5xinC1 GLU 365 HG3 0.23 0.00 0.06 -0.04 2.34 2.60 5xinC1 ASP 366 H 0.07 0.75 0.02 -0.55 8.40 8.70 5xinC1 ASP 366 HA 0.00 0.19 0.74 -0.75 4.63 4.82 5xinC1 ASP 366 HB2 0.05 -0.04 -0.14 -0.04 2.71 2.53 5xinC1 ASP 366 HB3 0.02 -0.01 0.11 -0.04 2.70 2.78 5xinC1 TYR 367 H 0.09 0.30 -0.54 -0.55 8.29 7.59 5xinC1 TYR 367 HA -0.02 0.08 0.54 -0.75 4.56 4.41 5xinC1 TYR 367 HB2 -0.01 -0.02 -0.26 -0.04 3.06 2.73 5xinC1 TYR 367 HB3 -0.10 0.07 -0.01 -0.04 2.98 2.90 5xinC1 TYR 367 HD2 -0.01 0.05 -0.06 -0.04 7.15 7.09 5xinC1 TYR 367 HE2 0.01 -0.01 -0.05 -0.04 6.85 6.77 5xinC1 ASP 368 H -0.42 0.21 0.12 -0.55 8.40 7.76 5xinC1 ASP 368 HA -0.19 0.15 0.72 -0.75 4.63 4.55 5xinC1 ASP 368 HB2 -0.14 0.14 0.10 -0.04 2.71 2.76 5xinC1 ASP 368 HB3 -0.22 0.01 0.25 -0.04 2.70 2.69 5xinC1 ALA 369 H -0.20 0.40 0.05 -0.55 8.40 8.11 5xinC1 ALA 369 HA -0.20 0.10 0.44 -0.75 4.34 3.93 5xinC1 ALA 369 HB3 0.06 0.05 0.06 -0.04 1.41 1.53 5xinC1 ASP 370 H -0.10 0.10 -0.10 -0.55 8.40 7.75 5xinC1 ASP 370 HA -0.04 0.12 0.35 -0.75 4.63 4.31 5xinC1 ASP 370 HB2 -0.06 -0.03 0.05 -0.04 2.71 2.63 5xinC1 ASP 370 HB3 -0.04 0.06 -0.02 -0.04 2.70 2.66 5xinC1 ALA 371 H -0.12 0.05 -0.32 -0.55 8.40 7.47 5xinC1 ALA 371 HA -0.07 0.09 0.43 -0.75 4.34 4.05 5xinC1 ALA 371 HB3 -0.10 0.04 0.06 -0.04 1.41 1.37 5xinC1 VAL 372 H -0.16 0.36 -0.07 -0.55 8.24 7.82 5xinC1 VAL 372 HA -0.08 0.06 0.51 -0.75 4.13 3.87 5xinC1 VAL 372 HB -0.05 0.03 0.13 -0.04 2.12 2.19 5xinC1 VAL 372 HG13 0.07 0.01 -0.03 -0.04 0.97 0.97 5xinC1 VAL 372 HG23 -0.18 0.06 0.05 -0.04 0.95 0.84 5xinC1 GLY 373 H -0.03 0.61 -0.13 -0.55 8.43 8.34 5xinC1 GLY 373 HA2 0.05 0.02 0.33 -0.51 4.01 3.89 5xinC1 GLY 373 HA3 0.02 -0.01 0.29 -0.51 4.01 3.80 5xinC1 ALA 374 H -0.04 0.25 -0.73 -0.55 8.40 7.33 5xinC1 ALA 374 HA -0.02 0.06 0.70 -0.75 4.34 4.33 5xinC1 ALA 374 HB3 -0.04 0.01 0.09 -0.04 1.41 1.43 5xinC1 LYS 375 H -0.08 0.42 -0.05 -0.55 8.42 8.15 5xinC1 LYS 375 HA -0.10 -0.00 0.66 -0.75 4.32 4.12 5xinC1 LYS 375 HB2 -0.24 0.06 0.06 -0.04 1.87 1.70 5xinC1 LYS 375 HB3 -0.19 0.00 0.03 -0.04 1.79 1.59 5xinC1 LYS 375 HG2 -0.10 -0.07 0.04 -0.04 1.46 1.29 5xinC1 LYS 375 HG3 -0.09 0.10 0.15 -0.04 1.46 1.58 5xinC1 LYS 375 HD2 -0.12 0.06 0.13 -0.04 1.69 1.72 5xinC1 LYS 375 HD3 -0.15 0.01 0.03 -0.04 1.68 1.53 5xinC1 LYS 375 HE2 -0.08 -0.04 -0.00 -0.04 2.99 2.83 5xinC1 LYS 375 HE3 -0.08 -0.03 -0.07 -0.04 2.99 2.77 5xinC1 GLY 376 H -0.12 0.06 0.20 -0.55 8.43 8.02 5xinC1 GLY 376 HA2 -0.07 0.11 0.46 -0.51 4.01 4.00 5xinC1 GLY 376 HA3 -0.08 -0.07 0.34 -0.51 4.01 3.69 5xinC1 PHE 377 H -0.01 0.03 0.21 -0.55 8.34 8.02 5xinC1 PHE 377 HA -0.32 0.35 0.72 -0.75 4.62 4.62 5xinC1 PHE 377 HB2 -0.91 -0.14 0.15 -0.04 3.15 2.21 5xinC1 PHE 377 HB3 -2.01 0.04 0.10 -0.04 3.06 1.15 5xinC1 PHE 377 HD2 -0.20 0.04 0.04 -0.04 7.28 7.12 5xinC1 PHE 377 HE2 0.01 0.02 -0.03 -0.04 7.38 7.34 5xinC1 PHE 377 HZ 0.02 -0.02 -0.04 -0.04 7.32 7.25 5xinC1 GLY 378 H -0.08 0.01 -0.00 -0.55 8.43 7.81 5xinC1 GLY 378 HA2 0.01 -0.06 0.30 -0.51 4.01 3.74 5xinC1 GLY 378 HA3 -0.02 0.21 0.34 -0.51 4.01 4.03 5xinC1 PHE 379 H 0.03 0.06 -0.14 -0.55 8.34 7.74 5xinC1 PHE 379 HA 0.08 0.19 0.45 -0.75 4.62 4.59 5xinC1 PHE 379 HB2 0.06 -0.07 0.08 -0.04 3.15 3.18 5xinC1 PHE 379 HB3 0.04 0.02 0.00 -0.04 3.06 3.08 5xinC1 PHE 379 HD2 0.03 -0.03 -0.02 -0.04 7.28 7.22 5xinC1 PHE 379 HE2 -0.17 0.09 0.02 -0.04 7.38 7.28 5xinC1 PHE 379 HZ -0.33 0.09 0.02 -0.04 7.32 7.06 5xinC1 VAL 380 H 0.16 0.08 -0.06 -0.55 8.24 7.87 5xinC1 VAL 380 HA 0.10 0.11 0.43 -0.75 4.13 4.02 5xinC1 VAL 380 HB 0.07 -0.03 0.08 -0.04 2.12 2.20 5xinC1 VAL 380 HG13 0.05 0.02 -0.07 -0.04 0.97 0.94 5xinC1 VAL 380 HG23 0.09 0.01 0.05 -0.04 0.95 1.05 5xinC1 LYS 381 H 0.09 0.08 -0.23 -0.55 8.42 7.80 5xinC1 LYS 381 HA 0.07 0.05 0.37 -0.75 4.32 4.05 5xinC1 LYS 381 HB2 0.05 -0.03 0.07 -0.04 1.87 1.93 5xinC1 LYS 381 HB3 0.07 0.16 0.08 -0.04 1.79 2.06 5xinC1 LYS 381 HG2 0.08 0.03 -0.31 -0.04 1.46 1.21 5xinC1 LYS 381 HG3 0.06 -0.03 0.03 -0.04 1.46 1.47 5xinC1 LYS 381 HD2 0.03 -0.02 -0.00 -0.04 1.69 1.66 5xinC1 LYS 381 HD3 0.05 0.06 -0.02 -0.04 1.68 1.72 5xinC1 LYS 381 HE2 0.05 0.03 -0.04 -0.04 2.99 2.99 5xinC1 LYS 381 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 5xinC1 LEU 382 H 0.15 0.33 -0.26 -0.55 8.37 8.04 5xinC1 LEU 382 HA 0.17 0.03 0.46 -0.75 4.35 4.26 5xinC1 LEU 382 HB2 0.17 0.07 0.05 -0.04 1.64 1.89 5xinC1 LEU 382 HB3 0.22 0.06 0.15 -0.04 1.64 2.03 5xinC1 LEU 382 HG 0.22 -0.03 -0.24 -0.04 1.64 1.54 5xinC1 LEU 382 HD13 0.22 -0.01 -0.05 -0.04 0.93 1.05 5xinC1 LEU 382 HD23 0.20 0.01 -0.06 -0.04 0.89 1.01 5xinC1 ASN 383 H 0.13 0.51 -0.15 -0.55 8.53 8.47 5xinC1 ASN 383 HA 0.07 0.02 0.49 -0.75 4.76 4.57 5xinC1 ASN 383 HB2 0.07 0.07 0.14 -0.04 2.88 3.12 5xinC1 ASN 383 HB3 0.06 0.07 0.18 -0.04 2.79 3.06 5xinC1 ASN 383 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 5xinC1 ASN 383 HD22 0.03 0.02 -0.04 -0.04 7.74 7.71 5xinC1 GLN 384 H 0.08 0.71 -0.08 -0.55 8.47 8.63 5xinC1 GLN 384 HA 0.03 -0.03 0.42 -0.75 4.36 4.03 5xinC1 GLN 384 HB2 0.04 -0.01 0.08 -0.04 2.15 2.22 5xinC1 GLN 384 HB3 0.06 0.10 0.14 -0.04 2.02 2.28 5xinC1 GLN 384 HG2 0.03 -0.01 -0.02 -0.04 2.40 2.35 5xinC1 GLN 384 HG3 0.03 0.01 -0.14 -0.04 2.39 2.24 5xinC1 GLN 384 HE21 -0.00 0.00 -0.02 -0.04 6.97 6.91 5xinC1 GLN 384 HE22 0.00 0.02 -0.03 -0.04 7.69 7.65 5xinC1 LEU 385 H 0.13 0.51 -0.18 -0.55 8.37 8.29 5xinC1 LEU 385 HA 0.13 0.00 0.40 -0.75 4.35 4.12 5xinC1 LEU 385 HB2 0.27 0.15 0.11 -0.04 1.64 2.13 5xinC1 LEU 385 HB3 0.31 -0.04 -0.02 -0.04 1.64 1.85 5xinC1 LEU 385 HG 0.11 0.12 0.05 -0.04 1.64 1.88 5xinC1 LEU 385 HD13 0.11 -0.03 -0.13 -0.04 0.93 0.84 5xinC1 LEU 385 HD23 0.10 -0.02 -0.05 -0.04 0.89 0.88 5xinC1 ALA 386 H 0.16 0.44 -0.23 -0.55 8.40 8.23 5xinC1 ALA 386 HA -0.18 0.07 0.52 -0.75 4.34 3.99 5xinC1 ALA 386 HB3 -0.18 0.03 0.12 -0.04 1.41 1.34 5xinC1 ILE 387 H -0.00 0.58 -0.01 -0.55 8.25 8.27 5xinC1 ILE 387 HA -0.17 -0.01 0.45 -0.75 4.18 3.70 5xinC1 ILE 387 HB -0.02 0.09 0.12 -0.04 1.89 2.03 5xinC1 ILE 387 HG12 -0.05 -0.08 0.04 -0.04 1.49 1.36 5xinC1 ILE 387 HG13 -0.01 0.22 0.10 -0.04 1.21 1.48 5xinC1 ILE 387 HG23 -0.07 -0.02 -0.05 -0.04 0.93 0.75 5xinC1 ILE 387 HD13 -0.01 -0.03 -0.02 -0.04 0.88 0.78 5xinC1 GLU 388 H 0.00 0.52 -0.24 -0.55 8.60 8.35 5xinC1 GLU 388 HA -0.07 0.00 0.34 -0.75 4.29 3.81 5xinC1 GLU 388 HB2 -0.02 0.08 0.05 -0.04 2.09 2.16 5xinC1 GLU 388 HB3 -0.08 -0.04 -0.09 -0.04 1.99 1.74 5xinC1 GLU 388 HG2 -0.03 -0.05 -0.03 -0.04 2.34 2.19 5xinC1 GLU 388 HG3 -0.01 0.22 0.06 -0.04 2.34 2.58 5xinC1 HIS 389 H 0.08 0.45 -0.33 -0.55 8.41 8.07 5xinC1 HIS 389 HA 0.03 0.05 0.45 -0.75 4.63 4.41 5xinC1 HIS 389 HB2 0.15 0.11 0.21 -0.04 3.26 3.69 5xinC1 HIS 389 HB3 0.16 0.06 0.03 -0.04 3.20 3.40 5xinC1 HIS 389 HD2 0.29 0.18 0.02 -0.04 6.97 7.41 5xinC1 HIS 389 HE1 0.08 -0.02 -0.09 -0.04 7.75 7.67 5xinC1 LEU 390 H -0.24 0.43 -0.13 -0.55 8.37 7.88 5xinC1 LEU 390 HA -0.46 0.03 0.40 -0.75 4.35 3.57 5xinC1 LEU 390 HB2 -1.35 -0.02 0.09 -0.04 1.64 0.32 5xinC1 LEU 390 HB3 -0.42 0.10 0.19 -0.04 1.64 1.48 5xinC1 LEU 390 HG -0.28 0.04 -0.19 -0.04 1.64 1.16 5xinC1 LEU 390 HD13 -0.48 -0.00 0.03 -0.04 0.93 0.43 5xinC1 LEU 390 HD23 -0.29 -0.04 -0.06 -0.04 0.89 0.46 5xinC1 LEU 391 H -0.14 0.45 -0.20 -0.55 8.37 7.93 5xinC1 LEU 391 HA -0.09 0.08 0.49 -0.75 4.35 4.07 5xinC1 LEU 391 HB2 -0.08 -0.00 0.04 -0.04 1.64 1.56 5xinC1 LEU 391 HB3 -0.06 -0.03 0.11 -0.04 1.64 1.62 5xinC1 LEU 391 HG -0.10 0.21 0.01 -0.04 1.64 1.72 5xinC1 LEU 391 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.77 5xinC1 LEU 391 HD23 -0.09 -0.02 -0.07 -0.04 0.89 0.68 5xinC1 GLY 392 H -0.07 0.43 -0.67 -0.55 8.43 7.57 5xinC1 GLY 392 HA2 -0.02 0.15 0.31 -0.51 4.01 3.93 5xinC1 GLY 392 HA3 -0.03 0.00 0.40 -0.51 4.01 3.87 5xinC1 ALA 393 H -0.09 0.53 -0.15 -0.55 8.40 8.14 5xinC1 ALA 393 HA -0.05 0.11 0.53 -0.75 4.34 4.17 5xinC1 ALA 393 HB3 -0.06 -0.03 0.04 -0.04 1.41 1.33 5xinC1 ARG 394 H -0.14 0.37 -0.40 -0.55 8.46 7.74 5xinC1 ARG 394 HA -0.08 0.17 0.37 -0.75 4.34 4.04 5xinC1 ARG 394 HB2 -0.16 -0.01 0.01 -0.04 1.90 1.70 5xinC1 ARG 394 HB3 -0.13 0.07 -0.07 -0.04 1.80 1.64 5xinC1 ARG 394 HG2 -0.39 -0.06 -0.45 -0.04 1.67 0.73 5xinC1 ARG 394 HG3 -1.40 0.04 -0.12 -0.04 1.67 0.15 5xinC1 ARG 394 HD2 -0.12 0.05 -0.05 -0.04 3.22 3.07 5xinC1 ARG 394 HD3 -0.08 -0.03 -0.05 -0.04 3.22 3.02