NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 N 4.8749 8.4249 118.2302 53.0063 38.6436 174.0342 28 I 4.0104 8.2626 119.7595 60.4415 38.2368 170.3895 29 V 3.6008 7.8043 119.5991 63.9994 32.6893 175.9837 30 G 3.9855 9.3431 115.1383 45.9591 0.0000 173.3538 31 C 4.5469 8.4585 118.5701 59.2850 30.3978 172.3920 32 R 5.1997 8.3795 118.0272 54.6297 32.8343 175.5513 33 I 5.6432 8.8138 115.4183 58.5314 41.9895 173.5887 34 Q 5.6125 8.3774 121.6778 55.4430 32.5706 172.5429 35 H 4.9627 8.3950 118.2216 55.0447 31.5693 173.2968 36 G 4.1571 8.5904 107.6112 45.4147 0.0000 172.5824 37 W 5.0464 8.5572 129.4538 55.1363 33.5544 174.0076 38 K 4.3854 8.5101 129.5253 54.3763 34.5354 175.0250 39 E 4.2975 8.7159 125.6025 56.9572 31.2175 175.4733 40 G 3.7448 8.7619 111.3465 44.2716 0.0000 171.5823 41 N 4.6672 8.2815 114.5365 52.2198 36.6731 174.7042 42 G 4.2052 7.2782 105.8875 43.2159 0.0000 170.3449 43 P 4.0200 0.0000 0.0000 62.6466 31.7926 176.0648 44 V 4.3668 8.4918 122.7161 61.5957 31.9866 175.6910 45 T 4.4340 8.6475 118.5946 61.4197 70.9508 173.1358 46 Q 4.8937 8.6500 123.8045 54.4083 30.8392 174.6149 47 W 4.7184 9.0989 127.2352 55.4235 31.4983 175.6668 48 K 5.1210 8.1392 121.5080 54.9795 35.8803 175.5474 49 G 4.1192 8.7609 110.3922 45.8015 0.0000 171.7139 50 T 4.9780 7.9028 110.6002 59.3164 71.2078 174.0001 51 V 3.7022 8.4610 127.0622 63.1945 31.9072 176.0836 52 L 4.6703 8.6322 127.7280 55.4588 43.2085 176.2190 53 D 4.6756 7.7914 116.5955 53.1272 44.7818 173.8268 54 Q 4.6264 8.3230 126.2155 53.8124 31.2858 175.1208 55 V 3.5470 8.3390 128.0636 62.7961 31.9133 174.6249 56 P 4.1989 0.0000 0.0000 66.0103 31.1941 178.4018 57 V 3.7176 7.6061 107.8558 63.0550 31.6448 176.3105 58 N 4.6384 8.0522 119.0275 52.2284 39.6705 172.7838 59 P 4.2217 0.0000 0.0000 64.4018 31.9736 177.6673 60 S 4.5316 7.9420 111.8418 57.9524 63.6895 172.4372 61 L 5.2458 7.4589 124.6474 53.8289 44.0472 174.7374 62 Y 5.3105 9.2235 123.3177 56.3722 42.0594 174.3401 63 L 5.2113 8.9954 122.1815 53.4047 44.0304 175.7743 64 I 4.6275 9.2318 124.5245 59.1456 41.5424 174.5356 65 K 4.5133 8.0006 126.9929 55.0686 33.9030 174.6427 66 Y 4.7656 7.9503 125.2436 56.1528 40.3444 175.2233 67 D 4.3329 8.8884 123.9945 56.0121 41.0333 177.3454 68 G 3.8878 8.9957 113.1351 44.9037 0.0000 172.7229 69 F 5.0929 7.2878 117.7962 55.9604 41.0246 175.5084 70 D 4.6334 8.5702 123.2886 55.8392 41.7349 176.2651 71 C 4.4642 7.6134 115.8093 58.6560 29.3051 173.8219 72 V 3.9972 8.0558 122.9362 63.0317 32.0325 174.7663 73 Y 4.7743 9.3563 125.4278 56.3440 40.6843 174.9532 74 G 4.3612 9.6380 112.1136 44.6860 0.0000 172.2190 75 L 5.1672 9.0779 125.9981 52.7743 46.4123 176.8228 76 E 5.5002 8.7802 122.5006 53.8649 28.2787 176.6986 77 L 3.9415 8.3263 122.0999 57.9154 42.1103 178.5828 78 N 4.6968 8.1733 111.9570 53.7687 39.0064 175.5400 79 K 4.4567 8.1938 116.7933 56.3745 34.6392 176.0836 80 D 4.4610 8.0184 119.8186 53.9269 41.3901 176.0151 81 E 4.2841 8.6825 123.5829 57.3365 30.2672 177.2736 82 R 4.0355 7.9838 119.1150 56.7014 31.4535 176.1080 83 V 4.3975 7.2449 119.5258 62.0821 32.0552 175.4165 84 S 4.5538 8.7357 124.1215 57.7440 65.6385 174.2592 85 A 3.7780 8.2890 121.3478 53.0550 15.2433 175.9720 86 L 4.5369 7.4338 125.2363 54.7285 43.6621 176.0430 87 E 4.7916 8.9431 122.6459 55.1594 34.5058 174.5745 88 V 4.5902 8.2580 121.1776 62.1078 33.7363 174.3171 89 L 4.9777 8.5681 123.4751 52.5637 45.9904 173.7484 90 P 4.5222 0.0000 0.0000 61.9801 32.1130 175.7190 91 D 4.3716 8.4854 122.4443 54.4003 41.9773 176.1648 *104 A 4.5055 8.4606 121.6848 52.6460 20.0725 178.3974 105 D 4.6698 7.9757 111.6153 55.5876 41.4989 177.7878 106 T 4.1063 7.8242 114.1160 64.8882 68.0158 175.5068 107 M 4.0642 7.8453 118.0981 57.9275 31.3815 174.7839 108 I 3.8284 7.0588 120.4054 65.1229 36.7988 175.5762 109 G 4.0991 8.6867 113.7521 44.7928 0.0000 172.5648 110 K 4.6551 8.7517 119.7945 54.6098 34.2613 176.3490 111 A 4.4427 8.4782 124.5174 52.6596 19.4668 176.7770 112 V 4.7036 9.0491 117.9112 61.9115 36.0247 172.9404 113 E 5.3895 8.9874 124.0463 54.8887 32.8325 174.6111 114 H 5.7439 9.6523 120.1281 53.6177 32.4173 172.5710 115 M 4.3117 8.5839 122.0203 54.8338 32.4865 175.7464 *125 E 3.9011 8.6486 120.7797 55.8329 31.1884 174.9932 126 W 4.7975 8.1158 120.1961 55.3395 31.1612 175.1180 127 R 5.1266 8.6011 122.1375 55.4003 31.9957 175.4706 128 G 4.4943 9.0553 111.7651 46.2079 0.0000 170.9744 129 M 5.3272 8.3742 118.7256 53.6465 36.0393 175.6984 130 V 4.0715 8.3693 125.8207 63.2179 32.5234 175.7196 131 L 4.5002 8.9360 127.3070 56.2219 43.4569 175.9278 132 A 4.3986 7.7237 117.2731 51.6220 22.8225 174.2106 133 R 3.7395 8.2166 118.5838 54.3632 30.5683 175.9865 134 A 2.8214 7.6526 128.1694 51.4057 18.8986 175.5755 135 P 4.1784 0.0000 0.0000 62.5625 31.6808 174.1324 136 V 3.4255 7.6075 118.5178 64.4617 31.2968 173.0274 137 M 4.4780 7.2394 121.4219 53.6391 30.7029 176.4058 138 N 4.2335 8.4671 120.0331 56.5336 39.2427 176.8562 139 T 4.0858 7.9274 113.5144 65.9415 69.1393 175.0849 140 W 4.8024 8.3518 120.9734 56.4996 30.8292 175.5748 141 F 5.1982 9.6332 121.2610 55.7497 41.8397 174.4245 142 Y 5.2390 8.7363 121.8560 58.4348 38.9630 174.7712 143 I 4.9703 9.0794 123.0834 60.2493 42.1362 173.0546 144 T 5.1256 8.2515 120.7909 59.4209 71.6685 171.7738 145 Y 5.0199 8.2962 120.4785 55.9332 41.2856 177.2048 146 E 4.0841 9.1475 122.0046 59.0852 29.7261 178.3196 147 K 4.5552 8.1454 115.2913 56.3499 32.8884 176.8444 148 D 4.6503 7.9875 118.8371 52.9848 43.2274 173.6653 149 P 5.4456 0.0000 0.0000 62.0747 29.4037 175.3074 150 V 4.4960 7.4939 118.9681 61.2884 36.4539 174.4661 151 L 4.2771 8.2893 126.7437 54.7998 42.7319 175.3870 152 Y 4.9743 9.3968 124.1265 56.4207 41.7465 174.5821 153 M 5.4660 8.3267 120.1773 54.5487 35.1052 173.9622 154 Y 5.5614 9.3337 123.0036 56.6499 42.8242 175.4528 155 Q 4.2347 8.2310 121.6815 55.4549 27.5105 176.6411 156 L 3.8817 8.2341 122.9414 56.4148 42.0940 178.3829 157 L 4.0443 7.6584 118.8086 57.2115 41.4699 178.4523 158 D 4.4565 7.6252 118.4740 56.7243 40.6861 178.0984 159 D 4.2604 7.8632 119.0111 56.6582 41.0643 177.9239 160 Y 3.9341 7.7916 120.4147 60.4980 38.6090 178.1557 161 K 4.0870 7.9156 118.4090 59.4391 32.8618 177.8156 162 E 4.2920 7.5374 117.9583 55.5620 29.7003 176.8397 163 G 3.7426 7.8143 105.0827 46.5711 0.0000 174.7907 164 D 4.4760 8.2673 117.5389 54.4828 41.4944 175.4048 165 L 4.8626 7.7656 119.2167 53.3160 44.4328 177.0365 166 R 4.5140 8.7331 124.6814 54.0751 29.9426 177.1503 167 I 3.8773 8.5155 123.5996 62.6095 39.3033 179.9547 168 M 2.7980 8.3417 116.9162 56.3847 31.7413 178.3543 *184 V 4.0708 8.8277 128.6163 63.2482 33.9272 174.7933 185 V 3.8332 7.5993 118.4042 62.4238 32.1205 176.1842 186 D 4.6650 8.2640 125.1683 53.6405 42.1395 175.2542 187 S 4.3534 8.6157 114.7716 59.6742 62.6711 174.6395 188 L 4.2653 8.7188 126.5864 54.6132 41.8093 176.9027 189 V 3.9380 7.2283 119.3127 64.7738 31.7173 175.8627 190 G 4.0249 9.2865 115.5920 44.9276 0.0000 173.6364 191 K 4.4068 7.7944 119.4541 55.1983 33.7520 176.3327 192 Q 4.6599 8.5995 125.6357 56.0947 30.0269 175.3785 193 V 4.6086 8.7948 124.6996 59.9279 35.0682 174.1472 194 E 5.3505 8.6655 120.8519 54.9570 32.9407 174.5384 195 Y 4.6587 9.3650 121.4760 56.0680 41.2627 174.5023 196 A 4.9458 8.6485 125.4446 50.8950 20.3297 176.8267 197 K 4.4148 8.6493 126.0710 55.0377 34.7832 175.9939 198 E 4.0319 8.9304 117.4622 59.8911 29.2183 178.4783 199 D 4.4394 7.8812 114.9896 53.8977 40.1169 176.9087 200 G 4.1799 7.6685 108.1027 45.2310 0.0000 173.2698 201 S 4.8809 8.0625 113.4142 56.2158 66.2738 172.5824 202 K 4.9364 8.4859 119.8814 54.7887 34.2571 175.7634 203 R 4.3958 9.5267 126.5056 55.0998 31.7654 174.4119 204 T 5.1490 8.5628 121.8269 60.9656 69.8526 173.6796 205 G 4.2084 9.3276 114.2608 45.4183 0.0000 170.1815 206 M 5.0029 8.5714 118.8396 53.4362 35.5949 175.1766 207 V 4.2730 8.6074 126.8311 62.8162 32.0404 175.9595 208 I 4.5017 8.5527 121.5006 61.5633 39.2571 175.2956 209 H 4.8948 7.9931 118.1323 54.8490 33.1996 172.0165 210 Q 4.4339 8.3536 122.0266 53.9498 31.4455 175.2090 211 V 3.4433 8.4052 126.9560 62.4961 31.5984 175.9993 212 E 3.7583 8.9297 129.5698 59.2747 29.6560 177.8148 213 A 4.1206 8.0762 119.6115 54.7657 18.5580 177.4100 214 K 4.4688 7.7882 116.5804 53.5041 32.3925 174.6100 215 P 4.0949 0.0000 0.0000 64.0925 31.8631 177.2308 216 S 4.3795 7.9035 111.9952 58.9990 63.1068 172.7298 217 V 5.0069 7.7097 120.9455 62.0004 33.4754 174.1139 218 Y 5.2308 9.4818 124.4852 56.3029 42.5359 174.1444 219 F 5.6326 9.2457 120.4865 56.5217 41.1695 175.1477 220 I 4.7879 9.0826 124.1252 59.2427 40.8111 174.4377 221 K 4.6627 8.7339 128.5066 54.7036 33.1091 175.5096 222 F 4.7019 8.5451 126.6976 56.7132 39.9552 176.8748 223 D 4.4908 8.8322 124.2044 57.2650 40.7277 177.2162 224 D 4.8282 7.9026 116.4424 52.5950 39.7471 175.2170 225 D 4.1955 7.4659 115.2103 54.0966 44.3873 175.3150 226 F 4.8401 6.9227 117.6576 56.8857 38.7420 175.3160 227 H 4.4287 7.8474 118.4435 55.6695 30.0074 174.4871 228 I 4.3148 7.6923 120.4941 59.9186 39.2444 174.7322 229 Y 4.4433 8.7640 125.3625 56.9676 39.8077 175.1606 230 V 4.9416 8.2731 122.4310 61.7038 33.4620 174.2320 231 Y 5.3047 9.0304 125.4710 56.2910 42.1081 174.7524 232 D 5.2464 8.9723 121.8492 52.5732 41.8362 177.2365 233 L 4.7065 8.2654 132.0128 53.1686 41.3510 177.3013 234 V 4.0204 7.7636 122.4996 63.5507 31.7311 172.7617 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 27 N 8.42 4.87 0.00 2.93 3.09 0.00 0.00 6.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.26 4.01 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.84 0.00 0.00 29 V 7.80 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.03 0.00 0.00 30 G 9.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.46 4.55 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.38 5.20 0.00 1.71 1.77 0.00 3.04 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 33 I 8.81 5.64 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 0.85 0.00 0.00 34 Q 8.38 5.61 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 35 H 8.39 4.96 0.00 3.47 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.59 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.56 5.05 0.00 1.78 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.51 4.39 0.00 1.60 1.37 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.40 7.81 39 E 8.72 4.30 0.00 1.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 40 G 8.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.28 4.67 0.00 2.82 2.86 0.00 0.00 5.68 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.02 0.00 2.08 2.07 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 44 V 8.49 4.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 45 T 8.65 4.43 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 46 Q 8.65 4.89 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 47 W 9.10 4.72 0.00 2.76 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.14 5.12 0.00 1.67 1.65 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 49 G 8.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.90 4.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 51 V 8.46 3.70 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.81 0.00 0.00 52 L 8.63 4.67 0.00 1.63 1.70 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.79 4.68 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.32 4.63 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 55 V 8.34 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 56 P 0.00 4.20 0.00 2.06 2.11 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 57 V 7.61 3.72 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 58 N 8.05 4.64 0.00 2.67 2.61 0.00 0.00 7.08 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.22 0.00 2.03 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 60 S 7.94 4.53 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.46 5.25 0.00 1.72 1.68 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.22 5.31 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.00 5.21 0.00 1.63 1.62 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.23 4.63 1.43 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 -0.24 0.00 0.00 65 K 8.00 4.51 0.00 1.56 1.37 0.00 1.24 0.00 0.00 1.30 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 1.00 7.81 66 Y 7.95 4.77 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.89 4.33 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.29 5.09 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.57 4.63 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 7.61 4.46 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.06 4.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.84 0.00 0.00 73 Y 9.36 4.77 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.64 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.08 5.17 0.00 1.81 1.75 1.30 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.78 5.50 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 77 L 8.33 3.94 0.00 1.48 1.68 0.57 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.17 4.70 0.00 2.76 2.89 0.00 0.00 6.71 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.19 4.46 0.00 1.69 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 80 D 8.02 4.46 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.68 4.28 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 82 R 7.98 4.04 0.00 1.16 0.66 0.00 2.50 0.00 0.00 3.03 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.00 83 V 7.24 4.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.03 0.00 0.00 84 S 8.74 4.55 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.29 3.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.43 4.54 0.00 1.64 1.56 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.94 4.79 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 88 V 8.26 4.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 89 L 8.57 4.98 0.00 1.52 1.52 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.52 0.00 2.17 2.05 0.00 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2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 111 A 8.48 4.44 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 9.05 4.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 113 E 8.99 5.39 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 114 H 9.65 5.74 0.00 3.53 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.58 4.31 0.00 1.86 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 *125 E 8.65 3.90 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 126 W 8.12 4.80 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.60 5.13 0.00 2.31 1.94 0.00 3.29 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 145 Y 8.30 5.02 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 9.15 4.08 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 147 K 8.15 4.56 0.00 2.25 2.15 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.73 7.81 148 D 7.99 4.65 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 5.45 0.00 2.65 2.45 0.00 3.98 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.04 0.00 150 V 7.49 4.50 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.21 0.00 0.00 151 L 8.29 4.28 0.00 1.17 1.01 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 9.40 4.97 0.00 3.06 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.83 4.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 185 V 7.60 3.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 186 D 8.26 4.67 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.62 4.35 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.72 4.27 0.00 0.99 1.36 0.63 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 189 V 7.23 3.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.11 0.00 0.00 190 G 9.29 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.79 4.41 0.00 1.81 1.66 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.33 7.81 192 Q 8.60 4.66 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 193 V 8.79 4.61 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 194 E 8.67 5.35 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 195 Y 9.37 4.66 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 A 8.65 4.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.65 4.41 0.00 1.73 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 198 E 8.93 4.03 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 199 D 7.88 4.44 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 G 7.67 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 S 8.06 4.88 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 K 8.49 4.94 0.00 1.65 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 203 R 9.53 4.40 0.00 1.59 1.75 0.00 2.50 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.14 0.00 204 T 8.56 5.15 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 205 G 9.33 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 M 8.57 5.00 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 207 V 8.61 4.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.83 0.00 0.00 208 I 8.55 4.50 1.77 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.94 0.00 0.00 209 H 7.99 4.89 0.00 2.96 2.80 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.35 4.43 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.11 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 211 V 8.41 3.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.77 0.00 0.00 212 E 8.93 3.76 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 213 A 8.08 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 K 7.79 4.47 0.00 1.71 1.62 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.39 7.81 215 P 0.00 4.09 0.00 2.02 2.02 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 216 S 7.90 4.38 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 V 7.71 5.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 218 Y 9.48 5.23 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 F 9.25 5.63 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 I 9.08 4.79 1.47 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.76 -0.00 0.00 0.00 221 K 8.73 4.66 0.00 1.83 1.63 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.45 7.81 222 F 8.55 4.70 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.83 4.49 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 D 7.90 4.83 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 7.47 4.20 0.00 2.60 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 F 6.92 4.84 0.00 3.03 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 H 7.85 4.43 0.00 2.70 2.72 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.69 4.31 1.41 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.48 0.00 0.00 229 Y 8.76 4.44 0.00 2.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 V 8.27 4.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.66 0.00 0.00 231 Y 9.03 5.30 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 D 8.97 5.25 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 L 8.27 4.71 0.00 1.82 1.66 0.54 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 234 V 7.76 4.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.