NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 L 3.9408 8.1849 120.5926 54.4381 43.8699 177.0789 -4 Y 3.8175 7.5538 116.4674 57.0270 38.4483 174.3067 -3 F 4.7947 8.2253 123.1575 56.0758 41.4443 174.9184 -2 Q 4.3096 8.1610 121.8190 55.4727 28.9801 175.8921 -1 G 3.8942 8.5236 109.9643 45.8980 0.0000 172.6732 0 H 4.8806 9.2663 120.1663 55.7389 30.3479 173.2426 -3 Y 4.7247 8.0453 123.1575 56.2758 39.6443 175.0183 -2 V 4.0896 7.8710 121.2190 61.9727 32.4801 176.1921 -1 T 4.2842 8.3436 114.7643 62.5980 70.3915 172.4732 0 I 4.3206 8.8463 121.8663 61.8389 40.1479 175.5426 6 V 4.5851 8.4867 128.7101 61.5006 33.3931 173.8736 7 Y 5.1837 9.3707 126.5197 56.4055 40.1921 174.7579 8 A 5.0960 9.3182 125.5276 50.2702 22.5096 174.6135 9 S 5.1845 8.7968 118.2059 56.8049 65.4068 173.4299 10 V 4.6625 8.5230 125.2099 60.6167 33.6492 175.6338 11 K 4.2160 8.9027 126.0058 56.6924 32.5154 178.4882 12 T 3.8255 8.7624 113.8871 64.3518 68.7887 174.5683 13 D 4.7188 7.9874 119.0921 53.0055 39.7675 176.5379 14 K 4.1374 8.0056 118.2596 56.5238 33.0367 178.1210 15 T 4.0084 7.9506 112.2617 65.1805 68.6767 176.2079 16 E 3.9763 8.1146 121.1401 58.7395 29.5309 179.0791 17 A 3.7518 7.5403 120.3583 54.9372 18.3470 179.2605 18 F 4.2941 8.1237 119.5963 61.1744 39.3604 177.1331 19 K 3.7226 8.0424 119.2593 59.5647 31.7993 178.4008 20 E 3.9247 7.9309 117.8478 59.2483 29.6577 178.2761 21 A 4.2572 7.9619 119.8510 55.5285 18.7013 179.4283 22 T 4.1476 8.1047 114.3436 66.1269 68.4364 176.8310 23 R 3.8529 8.0551 119.6386 57.5369 30.6493 177.2146 *25 N 4.5076 8.0355 116.2719 53.5832 40.8471 175.5136 26 H 3.8375 8.7919 117.6221 59.6542 29.5893 176.9532 27 E 3.8869 8.0410 118.5085 59.3468 29.5612 178.9924 28 Q 4.0103 7.7251 117.4487 58.4349 28.9562 178.4143 29 S 4.4320 7.8602 118.0229 60.6237 62.4942 176.3514 30 I 4.1595 7.1769 115.7419 62.4032 37.3047 177.3209 31 R 4.3424 7.2675 118.2852 55.2290 30.8593 176.1178 32 E 4.2251 7.6244 120.2946 54.9355 30.2793 174.5721 33 P 4.2269 0.0000 0.0000 64.5898 31.7402 176.8831 34 G 4.0139 9.0589 111.9095 45.1422 0.0000 172.7032 35 N 4.2851 7.9682 118.4689 53.1245 39.8563 173.4679 *37 R 4.1998 8.0693 118.7725 55.6127 31.8267 175.7035 38 F 4.7714 8.0118 122.0049 57.3294 38.5090 174.0542 39 D 4.7076 8.6234 120.9969 54.4869 42.6705 177.3119 40 I 4.9802 8.3337 122.5493 59.6214 39.5278 174.9334 41 L 4.9902 9.3796 126.8149 52.8666 45.6979 175.1507 42 Q 4.6342 8.4985 122.4436 53.9103 31.2732 175.0906 43 S 4.2500 8.6265 121.8511 58.3337 62.4622 174.2958 44 A 4.1391 8.6571 129.2800 54.9843 18.6040 178.6483 45 D 4.4030 7.9954 115.0270 57.0708 41.3743 176.2888 46 D 4.3862 7.8474 118.8962 52.5665 43.3341 173.8707 47 P 4.2512 0.0000 0.0000 64.8138 31.6532 176.8141 48 T 4.4596 8.4537 109.5835 62.2152 70.2034 174.1503 49 R 5.1505 7.7914 122.7858 54.7820 32.6572 175.2170 50 F 5.3609 9.6193 121.5456 55.7115 44.0237 173.8626 51 V 4.8592 8.9990 119.8176 61.2424 34.8065 174.1242 52 L 4.9362 8.8310 127.7572 53.4259 43.8713 175.0140 53 Y 4.4306 8.9351 127.3854 56.3290 39.6306 174.2331 54 E 4.2950 8.1564 126.8847 54.4578 31.0160 175.1940 55 A 5.1729 8.4911 127.0413 50.2024 21.1161 174.9064 56 Y 4.8518 8.5067 118.4583 55.8250 41.7535 175.8008 57 K 4.3325 9.1724 121.4999 59.5652 32.6136 177.5874 58 T 4.7357 8.0691 106.9161 58.6177 72.2096 174.4184 59 R 2.5100 8.4237 121.7955 59.2196 29.6318 178.4249 60 K 3.7542 7.7409 118.6318 59.5369 32.1626 178.3658 61 D 4.1541 7.7469 119.0501 57.0837 40.4996 178.5438 62 A 2.9120 6.9428 119.8404 54.6219 18.7526 179.0942 63 A 3.8799 7.9760 119.4347 55.3089 18.4287 179.6946 64 A 3.8486 8.0097 119.4047 55.4526 18.3714 179.1151 65 H 4.0009 7.8877 116.7238 59.3912 29.6559 176.8723 66 K 3.1195 7.2995 116.5748 56.9706 32.0735 177.7610 67 E 4.4963 7.5949 118.4016 55.6497 30.5966 176.6717 68 T 4.2238 7.1670 110.9408 61.0346 71.1867 175.4593 69 A 4.0420 8.4580 124.5191 55.5678 18.4294 179.9245 70 H 4.2089 8.1133 113.3944 58.7910 28.7944 177.0437 71 Y 4.0607 7.5660 121.9450 60.5532 38.6145 178.2077 72 L 3.8217 8.0160 119.7968 57.9554 41.6477 179.5993 73 T 3.7921 8.0801 115.8148 66.2557 68.3066 176.3887 74 W 4.0063 8.3775 130.3555 60.4805 30.3264 177.6271 75 R 3.3809 8.2766 118.9282 59.6386 29.1132 178.1352 76 D 4.1569 7.7025 116.9614 57.5604 40.8874 178.5862 77 T 3.5571 7.4610 115.0546 66.3214 68.7191 176.5692 78 V 3.0520 7.1712 112.3986 61.5111 31.5536 177.9954 79 A 3.7224 6.7199 121.4580 55.2976 18.1336 178.2441 80 D 4.4384 7.5512 111.1949 55.0065 41.6176 176.5107 81 W 4.6882 7.8107 119.7791 55.9057 28.0137 176.0069 *83 A 4.3083 8.1484 125.8154 51.5222 20.0884 176.3879 84 E 4.7529 7.5643 111.6688 53.7829 32.8051 173.1097 85 P 4.3278 0.0000 0.0000 63.1067 31.5555 176.4451 86 R 4.4657 8.5530 119.8233 56.6704 31.2008 175.9813 87 K 4.6983 9.1334 121.0180 54.6546 35.5206 175.2686 88 G 4.9273 8.9515 111.9970 44.5743 0.0000 172.6452 89 V 4.5430 8.5872 124.1815 61.0537 33.6797 174.5448 90 I 4.8350 8.1047 128.4236 60.3754 38.4121 174.5986 91 Y 4.7293 8.2078 122.6101 56.2136 42.2614 174.4957 92 G 4.1534 8.7670 108.2430 44.4470 0.0000 173.4630 93 G 3.8881 8.7313 112.4557 46.2095 0.0000 173.2835 94 L 4.2652 8.7005 125.6409 56.4575 42.5736 176.8627 95 Y 4.9186 7.3498 113.4857 55.2249 41.7388 173.3918 96 P 4.5825 0.0000 0.0000 62.8240 32.1916 176.0887 97 T 4.1034 8.2044 110.5067 60.0822 70.3889 175.0468 98 G 3.7481 8.3099 109.3403 45.9455 0.0000 173.5284 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 -5 L 8.18 3.94 0.00 1.28 1.36 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 7.55 3.82 0.00 3.02 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 -3 F 8.23 4.79 0.00 3.22 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 -2 Q 8.16 4.31 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 -1 G 8.52 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 0 H 9.27 4.88 0.00 3.02 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.05 4.72 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 -1 T 8.34 4.28 4.24 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 1.21 0.00 0.00 0 I 8.85 4.32 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.73 0.91 0.00 0.00 6 V 8.49 4.59 2.18 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 1.24 0.00 0.00 0.99 0.00 0.00 7 Y 9.37 5.18 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.32 5.10 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 9 S 8.80 5.18 0.00 3.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.52 4.66 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.10 0.00 0.00 11 K 8.90 4.22 0.00 1.76 1.74 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 12 T 8.76 3.83 4.24 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 1.22 0.00 0.00 13 D 7.99 4.72 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.01 4.14 0.00 1.77 1.25 0.00 0.69 0.00 0.00 1.26 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.21 1.30 7.81 15 T 7.95 4.01 4.53 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 0.00 0.00 1.39 0.00 0.00 16 E 8.11 3.98 0.00 1.96 2.01 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 2.41 2.38 0.00 17 A 7.54 3.75 0.24 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 0.00 0.00 18 F 8.12 4.29 0.00 3.18 3.05 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 0.00 0.00 0.00 0.00 19 K 8.04 3.72 0.00 2.00 1.98 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 20 E 7.93 3.92 0.00 2.01 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 0.00 2.36 2.43 0.00 21 A 7.96 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.10 4.15 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 1.15 0.00 0.00 23 R 8.06 3.85 0.00 1.95 2.13 0.00 3.26 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 *25 N 8.04 4.51 0.00 2.72 2.74 0.00 0.00 6.71 7.89 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 26 H 8.79 3.84 0.00 3.28 3.54 0.00 5.64 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 27 E 8.04 3.89 0.00 1.93 1.95 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 2.38 2.57 0.00 28 Q 7.73 4.01 0.00 1.50 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 29 S 7.86 4.43 0.00 2.72 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 30 I 7.18 4.16 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.83 0.00 0.00 31 R 7.27 4.34 0.00 1.90 1.96 0.00 3.11 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 32 E 7.62 4.23 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 33 P 0.00 4.23 0.00 2.06 2.04 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 34 G 9.06 4.01 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 0.00 0.00 0.00 35 N 7.97 4.29 0.00 2.71 2.68 0.00 0.00 7.04 6.94 0.00 0.00 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 R 8.07 4.20 0.00 1.94 2.05 0.00 3.28 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 38 F 8.01 4.77 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 39 D 8.62 4.71 0.00 2.75 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 40 I 8.33 4.98 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 1.02 0.00 0.00 41 L 9.38 4.99 0.00 1.57 1.53 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.50 4.63 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 1.95 1.49 0.00 43 S 8.63 4.25 0.00 3.85 3.91 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 0.00 0.00 0.00 44 A 8.66 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.00 4.40 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.85 4.39 0.00 2.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.25 0.00 2.18 2.11 0.00 3.77 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 1.96 1.93 0.00 48 T 8.45 4.46 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 R 7.79 5.15 0.00 1.70 1.89 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 50 F 9.62 5.36 0.00 3.06 3.26 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 51 V 9.00 4.86 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 0.89 0.00 0.00 0.83 0.00 0.00 52 L 8.83 4.94 0.00 1.58 1.23 1.26 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.94 4.43 0.00 2.96 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 54 E 8.16 4.29 0.00 1.82 1.85 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 1.47 1.92 0.00 55 A 8.49 5.17 0.99 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 56 Y 8.51 4.85 0.00 2.93 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 57 K 9.17 4.33 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 58 T 8.07 4.74 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 1.22 0.00 0.00 59 R 8.42 2.51 0.00 1.31 1.66 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.00 60 K 7.74 3.75 0.00 1.75 1.69 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 61 D 7.75 4.15 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 6.94 2.91 1.07 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 0.00 0.00 63 A 7.98 3.88 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.01 3.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.89 4.00 0.00 3.21 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.30 3.12 0.00 1.66 1.45 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.38 1.06 7.81 67 E 7.59 4.50 0.00 2.04 1.95 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 2.22 2.40 0.00 68 T 7.17 4.22 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 1.29 0.00 0.00 69 A 8.46 4.04 1.36 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 70 H 8.11 4.21 0.00 3.36 3.55 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.57 4.06 0.00 2.86 3.07 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 72 L 8.02 3.82 0.00 1.75 1.68 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.08 3.79 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 74 W 8.38 4.01 0.00 3.37 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.38 0.00 1.24 1.76 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 76 D 7.70 4.16 0.00 2.73 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 77 T 7.46 3.56 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 0.74 0.00 0.00 78 V 7.17 3.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 -0.18 0.00 0.00 79 A 6.72 3.72 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.55 4.44 0.00 2.49 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 81 W 7.81 4.69 0.00 3.56 2.91 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 0.00 0.00 0.00 *83 A 8.15 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.56 4.75 0.00 2.13 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 2.23 2.28 0.00 85 P 0.00 4.33 0.00 2.24 2.15 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 86 R 8.55 4.47 0.00 1.89 2.11 0.00 3.59 0.00 0.00 3.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 87 K 9.13 4.70 0.00 1.83 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.54 7.81 88 G 8.95 4.93 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 0.00 0.00 0.00 89 V 8.59 4.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.14 0.00 0.00 90 I 8.10 4.84 1.70 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.49 0.00 0.00 91 Y 8.21 4.73 0.00 2.73 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 92 G 8.77 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.73 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 94 L 8.70 4.27 0.00 1.48 1.09 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.35 4.92 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.58 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 97 T 8.20 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 98 G 8.31 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.