NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 R 4.1958 8.2431 119.0740 56.1843 31.1927 175.4745 30 G 3.8156 8.1466 99.3665 47.9213 0.0000 170.8869 31 M 4.3422 7.8134 123.0371 57.4910 35.0583 176.3597 32 T 4.2172 7.6699 108.3304 61.3276 70.8675 174.8275 33 L 3.9726 8.9232 123.7232 58.2271 42.1036 178.9044 34 E 4.0501 8.1763 118.8716 59.4157 29.6527 178.4040 35 D 4.3881 8.2236 118.8608 57.5778 40.9188 178.5051 36 D 4.3644 8.2276 119.3399 57.4049 40.8036 178.9223 37 L 4.1093 8.3473 119.8230 57.4319 41.6013 179.0246 38 N 4.3575 8.4131 117.0280 56.7411 38.9580 176.8296 39 A 4.0035 8.0127 122.1700 55.3555 18.3531 179.8234 40 T 3.5112 7.9056 114.1972 66.8853 68.5898 176.8413 41 N 4.5521 8.8080 118.7390 56.1954 38.4787 177.1657 42 E 3.9606 8.3743 120.9008 59.2851 29.6843 178.1947 43 Y 3.9891 7.9375 119.5353 61.0601 38.8558 177.6278 44 Y 4.2811 8.0622 117.6966 61.1765 37.9136 179.1490 45 R 4.1238 8.0662 120.1123 59.0083 30.0996 179.0112 46 E 4.0179 8.3277 117.1862 58.8780 29.4714 178.6818 47 R 4.3180 7.7125 115.6737 54.9913 30.4009 176.4023 48 G 3.8754 7.6979 106.6489 46.9455 0.0000 175.4348 49 I 4.1035 8.1566 121.9704 62.6313 38.0071 176.1028 50 A 4.6132 7.3554 118.6904 51.1535 22.7185 175.5713 51 V 4.4866 8.6953 120.2807 60.8542 32.5228 173.5580 52 I 5.1609 8.1969 125.4028 59.4550 40.5991 174.3310 53 H 5.0883 9.1211 122.0338 53.8556 33.4580 172.1742 54 K 4.2435 8.5554 122.0313 55.1305 32.8520 176.6611 55 K 4.1464 8.8339 127.9160 55.6058 32.6365 175.5547 56 P 4.3315 0.0000 0.0000 62.5948 31.9804 176.5232 57 T 3.9652 8.2178 118.5944 62.4898 69.2605 172.7671 58 P 4.2831 0.0000 0.0000 63.8920 31.7232 176.4623 59 V 4.0957 8.6603 121.1073 62.4566 34.2225 174.1878 60 Q 4.4666 7.4200 116.0645 53.4520 28.7716 177.7676 *79 F 4.7291 7.8210 117.4508 57.8457 40.2681 176.7214 80 R 4.4601 8.5098 124.3779 55.2379 31.5984 175.2880 81 Q 4.3942 8.4634 124.4364 54.9008 29.7631 175.5833 82 A 4.1473 8.7153 129.5891 52.5447 19.0381 177.0510 83 S 4.6094 8.4687 114.0872 58.1734 63.6559 173.3106 84 T 4.4836 7.1953 110.2719 59.8456 71.7511 173.0522 85 T 4.2855 7.9141 111.5420 61.4789 69.6625 174.1982 86 D 4.3516 9.0623 121.7036 56.1397 42.0750 176.1545 87 Y 5.0069 7.5055 116.1177 56.0517 41.3031 174.6528 88 N 4.8261 7.7798 118.5489 52.0836 41.3852 174.3767 89 G 4.2389 7.0266 105.0540 46.0264 0.0000 171.7358 90 V 5.0317 7.7005 118.4757 60.1176 34.0600 174.3171 91 Y 4.8770 8.8426 122.9875 57.6848 41.6759 175.0018 92 R 3.5033 9.1247 127.3464 57.1993 27.6722 177.6419 93 G 4.0028 8.2574 103.9499 45.7108 0.0000 174.3160 94 K 4.5177 7.9277 119.5296 55.2629 33.8452 174.7130 95 Y 4.9285 8.4726 122.4066 57.1125 40.2091 173.9289 96 I 4.8405 8.4063 128.1451 59.7062 40.1089 174.4097 97 D 4.9468 8.6161 125.6488 52.7729 44.9158 173.8994 98 F 5.6352 8.4939 119.3942 56.2690 41.7634 172.4108 99 E 5.2036 8.9527 119.4756 54.3941 33.0299 174.1285 100 A 5.3667 9.2695 126.8284 50.2729 21.6024 175.6737 101 K 4.8943 9.2324 121.1895 54.7305 37.0167 175.2423 102 E 5.4682 8.7723 119.1420 55.2684 33.1471 174.3762 103 T 4.5243 8.6143 113.9109 60.7467 70.9542 174.4622 104 K 4.3283 8.5703 123.9536 56.7994 32.9250 177.0447 105 N 4.4364 7.8579 118.4305 53.7678 39.2074 174.6152 106 K 4.5697 8.6349 122.8377 56.8350 33.3185 176.7005 107 T 4.6569 8.5391 107.5792 61.0366 70.4666 173.2926 108 A 5.1299 8.2308 121.8008 51.1451 22.5647 175.3610 109 F 4.2551 9.1340 123.1993 55.4899 41.3296 173.6674 110 P 4.5963 0.0000 0.0000 62.9131 31.7930 177.3698 111 L 4.8765 9.0056 122.7448 56.1831 41.9782 178.9092 112 K 4.3434 8.0924 117.3203 58.9960 32.6369 177.5970 113 N 4.4548 7.8514 115.1437 54.6416 38.6339 174.6760 114 F 5.1701 8.3052 116.5046 55.6461 42.8241 173.7464 115 H 5.0609 8.5331 116.8060 52.8005 31.6493 174.3285 116 A 3.6311 8.8678 122.1446 56.0921 17.9853 179.8773 117 H 4.1614 8.1147 113.7069 59.0645 28.7415 177.9607 118 Q 3.9388 7.7249 119.5537 58.9335 28.5077 178.8339 119 I 3.4653 7.1639 120.3180 64.2038 37.1188 178.2755 120 R 4.1361 7.9982 121.0768 59.0580 29.8226 178.0185 121 H 4.1127 8.2969 117.9990 59.6493 29.8593 177.1564 122 M 3.9739 8.2016 120.5317 58.3109 31.3712 178.5563 123 E 3.9451 8.2728 118.7642 59.5691 29.6476 179.5014 124 Q 4.0016 8.0022 117.9571 58.8859 28.8046 178.8789 125 V 3.5717 7.8795 119.4256 65.9910 31.6454 178.1937 126 V 3.5882 7.9959 117.7518 66.0790 31.1848 177.8915 127 A 4.0526 7.8727 119.0781 54.7201 18.1396 178.2486 128 H 4.7444 7.6954 112.3381 55.3990 29.0356 175.9361 129 G 3.8930 8.0030 108.4590 45.4621 0.0000 174.2997 130 G 4.1096 7.9234 106.3294 45.6211 0.0000 174.0397 131 I 4.2497 8.6767 122.3453 59.8991 38.5086 174.6393 132 C 5.6870 8.6347 127.3074 56.4857 35.0758 172.6391 133 F 5.4494 7.8140 118.7528 56.3082 41.2858 172.0324 134 A 5.3337 9.3859 120.4031 50.2632 22.1709 175.3764 135 I 4.7724 8.8924 122.6192 59.7862 39.3944 174.7090 136 L 4.9741 9.0815 128.1621 52.7269 44.3194 175.5699 137 R 5.1204 9.0059 124.2214 54.7170 33.3207 174.6775 138 F 4.9579 9.4590 125.8059 55.9121 39.2988 176.5115 139 S 4.1654 8.9905 120.9624 61.7227 62.8788 177.4451 140 L 4.2681 8.0229 116.5986 56.3823 41.4441 177.4428 141 L 4.5865 7.8062 116.9546 53.5196 43.0244 175.8605 142 N 4.2537 7.8760 114.6190 54.5700 36.7413 173.7353 143 E 4.7195 8.2374 116.0269 54.8370 32.9138 175.6858 144 T 5.1738 8.2364 120.1236 61.9798 72.2314 172.5732 145 Y 5.2165 9.4213 122.9259 56.1005 42.6364 173.9784 146 L 5.0610 9.1041 124.3393 53.3724 44.4488 174.7807 147 L 5.1012 9.0024 128.5084 52.8728 45.0553 175.0678 148 D 4.9759 9.1809 125.7726 54.7118 42.0420 176.9258 149 A 4.0695 9.3304 127.2647 55.4557 18.2910 180.2574 150 S 4.1067 8.4514 112.6762 62.2458 62.8261 176.7449 151 H 4.3187 8.1327 119.3896 58.3691 28.4189 177.5477 152 L 4.0685 7.9430 121.7484 58.1799 41.9273 178.8607 153 I 3.7478 8.4307 119.9050 64.3132 36.9860 178.2344 154 A 3.9629 8.0691 121.5402 55.1090 18.1797 179.7977 155 W 3.8785 8.3913 117.4727 59.4362 29.0994 178.5800 156 W 4.1388 8.8296 128.8277 60.6390 30.1846 177.8413 157 N 4.4055 8.6649 116.6000 56.2306 37.9387 177.5477 158 K 3.8508 8.3617 120.3515 59.3477 32.1012 179.0383 159 Q 4.0874 8.2179 119.8820 59.4512 28.7515 178.4533 160 E 3.8749 7.6652 117.7347 58.6908 29.5122 178.2219 161 A 4.3557 7.4749 118.6336 51.7481 18.9868 177.5893 162 G 3.9394 7.7195 105.1062 45.1344 0.0000 174.7234 163 G 3.9390 8.1597 109.9508 44.0335 0.0000 173.7891 164 R 4.1501 8.4472 115.3214 56.5844 29.9590 176.1277 165 K 4.7222 8.5541 117.8653 56.2574 33.2364 175.8941 166 S 5.0063 7.7863 113.2699 57.0771 66.2826 173.3143 167 I 3.0664 8.5664 123.6653 59.0470 38.3523 173.9415 168 P 4.4241 0.0000 0.0000 62.4064 31.9912 177.3640 169 K 3.8832 8.9843 123.7775 59.6059 31.8672 179.2672 170 Q 3.8781 7.9374 117.4821 59.2071 28.3833 178.3603 171 E 3.9794 8.0599 120.6493 59.2336 29.4382 179.2993 172 I 3.6619 7.3748 119.5193 64.2088 37.0277 178.1423 173 E 3.8210 7.8946 118.9026 59.0550 29.2916 179.1486 174 R 3.8981 7.9215 118.1756 59.7462 30.3689 177.8712 175 H 4.6035 8.1645 114.0889 56.5705 29.2918 175.5759 176 G 4.1131 7.9346 108.1754 45.2150 0.0000 172.6324 177 H 5.1122 9.1750 116.4463 53.5277 31.9957 173.8391 178 S 4.2350 8.9854 118.6507 58.4695 63.0050 172.9982 179 I 4.3850 8.0451 128.3275 58.9789 38.5760 174.0378 180 P 4.3401 0.0000 0.0000 62.8406 32.2525 175.2955 181 L 5.1177 8.2297 123.5871 53.7275 44.3604 176.0593 182 G 3.9612 8.2303 107.1412 46.5707 0.0000 173.3167 183 Y 4.0013 8.8612 120.2443 60.0706 38.9572 176.4282 184 Q 3.8126 7.4188 120.1399 54.1317 31.1200 171.8322 185 P 3.8296 0.0000 0.0000 62.0652 32.5108 176.8020 186 R 4.6026 8.1999 118.4867 58.3787 30.1108 176.4327 187 I 4.5940 7.2813 120.1458 59.2740 38.2298 176.2691 188 D 4.6848 8.5545 130.5401 53.4151 37.5512 176.1401 189 Y 4.1269 7.5876 121.2038 59.7808 38.6966 178.1318 190 I 3.2702 7.1549 122.4118 63.8557 36.5852 178.2923 191 S 4.0753 7.7926 115.0650 61.3406 62.6819 176.9218 192 V 3.5183 7.4756 121.3081 65.6605 31.3497 177.8677 193 V 3.8678 7.9454 118.2814 66.2138 31.1753 177.4611 194 D 4.5982 8.4736 118.8674 57.9587 40.5660 178.8898 195 N 4.4016 7.7503 114.7936 55.8295 38.5520 177.2713 196 V 3.6754 7.8014 118.9111 64.6627 31.9442 176.1703 197 Y 4.5412 8.1354 112.9639 57.6356 38.6735 175.1705 198 F 4.8575 7.8603 118.0813 55.5677 42.4507 175.6622 199 T 4.2022 8.6376 121.9162 63.2238 67.1776 176.0507 200 R 4.1747 8.5372 123.6939 56.4732 29.3105 174.7105 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 29 R 8.24 4.20 0.00 1.85 1.80 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 30 G 8.15 3.82 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 0.00 0.00 0.00 31 M 7.81 4.34 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 32 T 7.67 4.22 4.38 0.00 0.00 0.00 0.00 0.00 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 33 L 8.92 3.97 0.00 1.81 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.18 4.05 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 35 D 8.22 4.39 0.00 2.90 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 36 D 8.23 4.36 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 4.11 0.00 1.89 1.73 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.41 4.36 0.00 3.01 3.02 0.00 0.00 7.02 7.12 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 39 A 8.01 4.00 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 40 T 7.91 3.51 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 41 N 8.81 4.55 0.00 2.88 3.20 0.00 0.00 6.72 7.56 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 42 E 8.37 3.96 0.00 2.19 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 0.00 2.33 2.34 0.00 43 Y 7.94 3.99 0.00 3.04 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 44 Y 8.06 4.28 0.00 3.22 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 45 R 8.07 4.12 0.00 2.05 1.99 0.00 3.14 0.00 0.00 2.97 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 46 E 8.33 4.02 0.00 1.89 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 2.35 2.51 0.00 47 R 7.71 4.32 0.00 1.29 1.69 0.00 3.32 0.00 0.00 3.08 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.80 0.00 48 G 7.70 3.88 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 0.00 0.00 0.00 49 I 8.16 4.10 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.71 0.00 0.00 50 A 7.36 4.61 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 51 V 8.70 4.49 2.16 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 1.08 0.00 0.00 0.98 0.00 0.00 52 I 8.20 5.16 2.15 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 1.17 0.00 0.00 53 H 9.12 5.09 0.00 3.10 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.56 4.24 0.00 1.53 1.55 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.45 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.97 0.28 7.81 55 K 8.83 4.15 0.00 1.49 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.40 7.81 56 P 0.00 4.33 0.00 2.01 1.96 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 57 T 8.22 3.97 4.26 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 1.18 0.00 0.00 58 P 0.00 4.28 0.00 2.22 2.19 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 59 V 8.66 4.10 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 0.76 0.00 0.00 0.93 0.00 0.00 60 Q 7.42 4.47 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.55 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 *79 F 7.82 4.73 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 4.46 0.00 1.87 1.83 0.00 3.25 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 81 Q 8.46 4.39 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 82 A 8.72 4.15 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.47 4.61 0.00 3.90 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 84 T 7.20 4.48 3.76 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 0.00 0.00 1.07 0.00 0.00 85 T 7.91 4.29 4.39 0.00 0.00 0.00 0.00 0.00 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 86 D 9.06 4.35 0.00 2.56 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 0.00 0.00 0.00 0.00 87 Y 7.51 5.01 0.00 1.43 1.75 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 88 N 7.78 4.83 0.00 2.55 2.72 0.00 0.00 6.62 6.22 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 89 G 7.03 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 0.00 0.00 0.00 0.00 90 V 7.70 5.03 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 0.81 0.00 0.00 1.06 0.00 0.00 91 Y 8.84 4.88 0.00 3.01 2.92 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 0.00 92 R 9.12 3.50 0.00 1.36 1.64 0.00 2.54 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 93 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.52 0.00 2.15 1.85 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.91 1.60 7.81 95 Y 8.47 4.93 0.00 3.09 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 96 I 8.41 4.84 1.91 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 1.26 1.32 1.17 0.00 0.00 97 D 8.62 4.95 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.49 5.64 0.00 2.66 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.95 5.20 0.00 2.20 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 0.00 2.43 2.49 0.00 100 A 9.27 5.37 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 0.00 101 K 9.23 4.89 0.00 1.70 1.74 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 0.55 7.81 102 E 8.77 5.47 0.00 1.94 1.92 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 2.18 2.27 0.00 103 T 8.61 4.52 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 104 K 8.57 4.33 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.38 7.81 105 N 7.86 4.44 0.00 2.62 2.83 0.00 0.00 7.06 5.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.63 4.57 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 107 T 8.54 4.66 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 108 A 8.23 5.13 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 0.00 109 F 9.13 4.26 0.00 3.14 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 0.00 110 P 0.00 4.60 0.00 2.07 1.91 0.00 2.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 111 L 9.01 4.88 0.00 1.96 2.05 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.09 4.34 0.00 1.93 2.01 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 113 N 7.85 4.45 0.00 2.81 2.50 0.00 0.00 6.74 7.33 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 0.00 114 F 8.31 5.17 0.00 3.06 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.53 5.06 0.00 3.30 3.41 0.00 5.30 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.87 3.63 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.11 4.16 0.00 3.28 3.35 0.00 5.63 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 0.00 118 Q 7.72 3.94 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.82 0.00 119 I 7.16 3.47 1.41 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.75 0.00 0.00 120 R 8.00 4.14 0.00 1.94 2.08 0.00 3.17 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 121 H 8.30 4.11 0.00 3.47 3.47 0.00 5.84 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 0.00 122 M 8.20 3.97 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 123 E 8.27 3.95 0.00 2.21 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 2.33 2.54 0.00 124 Q 8.00 4.00 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 125 V 7.88 3.57 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 1.18 0.00 0.00 0.91 0.00 0.00 126 V 8.00 3.59 2.23 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 0.97 0.00 0.00 0.98 0.00 0.00 127 A 7.87 4.05 1.30 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 0.00 0.00 0.00 128 H 7.70 4.74 0.00 3.09 3.28 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.00 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 0.00 130 G 7.92 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 0.00 0.00 0.00 131 I 8.68 4.25 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.54 0.32 0.00 0.00 132 C 8.63 5.69 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 7.81 5.45 0.00 3.34 3.22 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 0.00 0.00 0.00 0.00 134 A 9.39 5.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.89 4.77 1.81 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.84 0.00 0.00 136 L 9.08 4.97 0.00 1.41 0.79 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.01 5.12 0.00 1.92 1.80 0.00 3.10 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 138 F 9.46 4.96 0.00 3.20 3.10 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 0.00 0.00 0.00 139 S 8.99 4.17 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.02 4.27 0.00 1.69 1.76 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.81 4.59 0.00 1.85 1.86 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.88 4.25 0.00 2.90 2.90 0.00 0.00 6.75 7.17 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 0.00 143 E 8.24 4.72 0.00 2.10 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 2.25 2.54 0.00 144 T 8.24 5.17 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 145 Y 9.42 5.22 0.00 2.92 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 0.00 146 L 9.10 5.06 0.00 1.52 1.47 0.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 147 L 9.00 5.10 0.00 1.78 1.51 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 148 D 9.18 4.98 0.00 3.07 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 0.00 149 A 9.33 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.45 4.11 0.00 4.01 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 0.00 151 H 8.13 4.32 0.00 3.51 3.53 0.00 5.82 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 0.00 152 L 7.94 4.07 0.00 1.67 1.73 0.43 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.43 3.75 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.98 0.00 0.00 154 A 8.07 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 W 8.39 3.88 0.00 3.63 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 0.00 156 W 8.83 4.14 0.00 3.56 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.66 4.41 0.00 2.95 2.86 0.00 0.00 7.06 7.44 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 0.00 158 K 8.36 3.85 0.00 1.68 1.61 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.19 1.41 7.81 159 Q 8.22 4.09 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 160 E 7.67 3.87 0.00 2.07 1.93 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 1.98 2.38 0.00 161 A 7.47 4.36 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 0.00 162 G 7.72 3.94 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 0.00 0.00 0.00 163 G 8.16 3.94 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 0.00 0.00 0.00 164 R 8.45 4.15 0.00 2.01 2.05 0.00 3.14 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 165 K 8.55 4.72 0.00 1.74 1.84 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 166 S 7.79 5.01 0.00 3.88 3.77 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 0.00 167 I 8.57 3.07 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.36 0.18 0.00 0.00 168 P 0.00 4.42 0.00 2.10 2.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 169 K 8.98 3.88 0.00 1.54 1.60 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.22 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.23 0.73 7.81 170 Q 7.94 3.88 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 171 E 8.06 3.98 0.00 2.16 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 0.00 2.47 2.81 0.00 172 I 7.37 3.66 1.81 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.49 0.55 0.00 0.00 173 E 7.89 3.82 0.00 1.95 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 2.27 2.10 0.00 174 R 7.92 3.90 0.00 1.75 2.00 0.00 3.05 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.53 0.00 175 H 8.16 4.60 0.00 3.10 2.84 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 7.93 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 0.00 0.00 0.00 177 H 9.17 5.11 0.00 3.00 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.99 4.24 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 8.05 4.38 1.81 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 1.19 0.81 0.93 0.00 0.00 180 P 0.00 4.34 0.00 2.04 1.94 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 181 L 8.23 5.12 0.00 1.48 1.53 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.23 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.86 4.00 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.42 3.81 0.00 1.50 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 185 P 0.00 3.83 0.00 1.72 1.34 0.00 3.58 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 186 R 8.20 4.60 0.00 1.77 1.92 0.00 3.29 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 187 I 7.28 4.59 1.93 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 1.16 0.58 0.96 0.00 0.00 188 D 8.55 4.68 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 7.59 4.13 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 190 I 7.15 3.27 1.02 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.08 0.00 0.00 191 S 7.79 4.08 0.00 4.02 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.48 3.52 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 0.89 0.00 0.00 0.89 0.00 0.00 193 V 7.95 3.87 2.16 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 1.43 0.00 0.00 0.98 0.00 0.00 194 D 8.47 4.60 0.00 2.97 2.76 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 0.00 0.00 0.00 195 N 7.75 4.40 0.00 2.67 2.86 0.00 0.00 7.07 7.34 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 0.00 196 V 7.80 3.68 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 197 Y 8.14 4.54 0.00 3.06 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 0.00 198 F 7.86 4.86 0.00 3.22 2.99 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 0.00 199 T 8.64 4.20 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 200 R 8.54 4.17 0.00 1.83 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.