NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 V 4.0591 8.0431 120.3007 62.4429 33.7704 176.8039 30 G 3.3931 8.7247 109.1352 46.5814 0.0000 174.8046 31 F 4.6397 8.8188 120.8619 55.9161 41.9583 175.1873 32 G 3.8914 8.0717 109.3832 44.7278 0.0000 172.3172 33 E 4.0750 8.6941 119.4306 56.7785 29.5395 176.5099 34 L 4.7258 8.4334 124.8408 55.0104 42.0086 178.4421 35 K 4.1455 8.1383 120.9765 59.0939 33.4554 176.9686 36 E 4.6985 7.6726 116.6100 53.9895 29.5983 175.4681 37 E 4.0034 8.0272 117.9372 56.1507 30.5656 177.6481 38 W 4.3035 8.8168 133.7395 57.7923 31.2735 175.7120 39 R 4.1083 7.3283 124.4987 55.6159 30.7357 175.6734 40 G 3.5654 4.0000 105.1076 44.7202 0.0000 173.6049 41 E 4.2332 8.6775 120.7104 56.1150 30.8282 175.4087 42 V 4.9334 8.4677 126.4680 61.2397 33.7311 174.5138 43 V 4.4749 8.7950 128.3165 61.1479 33.8117 173.9463 44 H 4.3328 9.0557 128.5676 56.4861 29.6205 174.3433 45 L 4.2954 8.0190 126.3169 56.6010 43.0172 176.8288 46 S 4.3129 6.7132 109.9114 57.5531 65.1110 175.6750 47 W 4.7648 8.8426 122.7573 57.1890 30.4562 176.4492 48 S 4.6993 7.8611 113.1468 55.8368 63.1966 171.6162 49 P 5.2529 0.0000 0.0000 60.6041 33.4521 175.7611 50 R 4.3914 8.6703 120.6404 56.3911 30.9876 174.9007 51 A 5.2032 8.4177 127.6940 50.3518 22.8771 174.5714 52 F 5.2438 8.8823 118.6333 55.5786 43.2037 173.9531 53 L 4.8270 9.2235 124.5624 53.5226 44.3063 174.9253 54 L 5.2545 9.1022 127.0553 53.1415 43.4212 175.8155 55 K 4.8012 9.4413 125.1375 56.3287 33.0519 177.1684 56 N 4.3216 9.0389 121.7736 54.4106 36.7460 175.7820 57 F 3.1502 8.5248 121.0255 59.9706 39.9305 174.7823 58 L 4.7193 7.9204 119.6631 52.5201 43.8289 177.1025 59 S 4.4222 8.7500 117.6560 58.0263 65.1385 175.3195 60 D 4.3590 8.5772 122.7061 57.7179 40.5589 178.7914 61 E 3.9800 8.2190 118.4497 59.5556 29.4384 179.2036 62 E 3.8807 8.1488 118.3077 59.5907 29.5585 179.0720 63 C 4.0727 8.1066 116.6248 63.1148 28.2561 176.0786 64 D 4.2534 8.5061 120.7096 57.3049 40.2805 178.1092 65 Y 3.9570 8.1844 120.1432 60.7400 38.7141 178.2322 66 I 3.5808 7.7743 120.5311 64.3864 37.2429 178.2136 67 V 3.1554 7.3107 118.4297 66.3440 30.9467 178.0561 68 E 3.9128 7.7058 116.2701 58.9539 29.2597 178.9877 69 K 3.9372 7.8190 119.3520 59.2347 32.4173 178.4574 70 A 4.3347 8.4031 121.4391 54.6954 18.2302 179.1502 71 R 4.0648 8.1915 117.4152 59.3323 30.2118 176.1221 72 P 4.3323 0.0000 0.0000 64.4357 31.5798 175.7444 73 K 4.3532 7.9826 119.7924 54.9673 33.0983 176.5795 *75 V 3.9283 8.2020 117.9332 60.7667 33.2413 175.0821 76 K 4.1861 8.5836 123.4945 55.8675 33.2803 176.5378 *94 T 4.1899 8.2922 111.2498 61.2029 70.1515 174.0305 95 S 4.5965 7.8524 116.4312 58.6127 64.4971 173.2148 96 T 4.6415 8.2325 111.3111 60.7066 71.4644 173.2622 97 G 4.4030 8.5020 107.8524 46.4650 0.0000 172.0540 98 T 4.7347 8.4479 113.7315 60.8596 71.4685 171.7207 99 W 5.1538 8.4860 133.7238 55.4867 33.9092 174.0069 100 F 5.2133 8.7478 125.1035 55.5770 40.8893 175.3702 101 A 4.6524 9.7656 125.7832 51.4521 19.6995 176.9689 102 K 4.3012 8.2005 121.6706 57.4326 32.5727 177.3827 103 G 4.4149 9.2403 114.4233 45.0055 0.0000 173.7972 104 E 4.0839 8.2621 121.3174 58.1545 30.0865 177.0891 105 D 5.0397 7.7368 117.0206 51.9510 44.2968 176.6408 106 S 4.0783 8.4905 121.6174 61.5138 62.8517 176.9151 107 V 3.3195 7.5465 121.5034 65.6620 31.2143 177.8910 108 I 3.6561 8.6922 119.9966 64.3908 36.8460 178.5429 109 S 4.2338 8.0890 116.0578 61.4275 62.7296 176.5387 110 K 3.8308 7.6186 121.2092 59.6377 31.8854 178.8675 111 I 3.5664 7.2813 118.6917 64.4327 36.4738 178.2696 112 E 4.0186 8.4079 119.6027 59.2562 29.2183 179.5833 113 K 3.9827 8.2167 118.6613 59.4954 32.1520 179.2528 114 R 3.9451 7.8958 118.7260 59.3846 29.9402 178.8054 115 V 3.7628 8.0448 117.8942 65.8936 31.3651 177.6506 116 A 4.3675 7.7549 120.6672 54.8794 18.2719 179.3434 117 Q 4.2637 8.2611 115.3060 59.1680 28.8826 179.1436 118 V 3.9634 7.9350 119.5290 64.4921 31.7395 177.5000 119 T 3.8339 8.1259 109.7828 62.3533 68.2755 174.9231 *121 I 4.0641 7.7184 117.0676 59.4914 39.3927 173.9531 122 P 3.4035 0.0000 0.0000 62.0381 31.9615 177.4005 123 L 3.7099 8.3659 120.0798 57.4016 41.8443 179.6381 124 E 4.0357 8.0457 116.3019 58.7450 29.7573 177.8914 125 N 4.8938 8.1230 115.4441 53.4822 39.1726 173.9771 126 H 5.1897 7.8993 115.9718 54.4786 30.5701 175.2363 127 E 4.4655 9.0022 122.2751 55.6105 30.9717 177.5240 128 G 4.2711 8.9093 109.2247 46.4817 0.0000 172.4723 129 L 4.6376 8.4601 123.1643 53.1072 45.5102 176.2791 130 Q 4.0879 7.8343 127.4186 54.1922 31.0325 174.0001 131 V 4.8373 8.6593 126.9182 61.1565 33.9996 174.2503 132 L 5.1734 8.9493 127.3476 53.0753 45.5389 174.8911 133 H 4.5957 8.4090 121.2042 54.4134 32.4248 171.8657 134 Y 4.5308 8.5037 123.8845 57.4766 38.4530 175.3610 135 H 4.5404 8.8144 118.6830 56.5666 31.1597 175.2289 *152 N 4.4875 8.0602 114.3271 52.7956 40.2747 174.4360 153 A 4.6345 7.4166 121.8321 50.7839 19.3928 175.5840 154 G 3.9718 7.9844 111.4312 44.1989 0.0000 172.8736 155 P 4.2212 0.0000 0.0000 66.3187 30.4438 178.1334 156 E 3.9587 8.1892 115.5246 58.8559 29.4266 177.7153 157 H 4.5979 8.1101 113.9576 55.3983 29.6043 175.7899 158 G 3.8168 7.9248 110.0985 44.9319 0.0000 175.4284 159 G 4.1757 7.8365 108.3950 44.7362 0.0000 174.1250 160 Q 4.1458 8.3678 117.5988 55.6987 29.4385 176.0949 161 R 4.1256 8.3293 120.5543 56.4428 30.8667 176.7494 162 V 4.4201 9.0330 121.3914 62.0576 34.5486 175.7685 163 V 4.4758 7.6068 119.7164 61.1498 34.8122 174.8858 164 T 4.4380 7.6772 123.8042 61.3697 71.7366 172.4075 *166 L 3.7442 8.1387 123.0899 55.4248 44.1530 175.1014 *168 Y 4.8581 8.0294 116.7297 58.1266 38.7696 176.1867 169 L 4.6138 9.1599 124.3714 55.9884 42.5283 176.6658 170 T 4.8198 7.8166 107.3621 60.4790 72.1534 173.1429 171 T 4.6175 8.4702 119.0176 62.5787 69.9573 174.3720 172 V 4.2809 7.9733 126.0767 61.2913 32.7330 175.2559 173 E 4.1522 9.0682 127.9549 58.9457 30.1418 177.0546 174 E 4.3774 8.1399 119.9942 55.4638 31.9448 176.8817 175 G 4.1792 9.0339 115.5184 45.9861 0.0000 174.7370 176 G 4.0994 8.5146 112.4480 45.5716 0.0000 173.8140 177 E 4.3640 7.3912 119.3122 56.1066 30.9755 176.5514 178 T 4.5123 8.5141 120.0565 63.6122 69.8109 174.0095 179 V 4.7923 9.1064 125.5732 59.9948 35.1372 174.7250 180 L 5.2358 8.6290 122.7843 51.1362 42.5357 175.4426 181 P 4.4240 0.0000 0.0000 64.6191 31.6940 177.2698 182 N 4.6484 7.9148 113.0983 52.5842 39.0224 175.0264 183 A 4.2438 7.4697 121.9178 52.1590 19.0160 177.7060 184 E 4.1046 8.8382 121.8354 58.6281 29.9481 177.8015 185 Q 4.5058 7.6083 115.4078 53.9490 32.5216 174.4723 186 K 4.4448 8.2870 121.0813 55.1846 33.9230 176.8516 187 V 3.8486 7.6226 116.0182 61.5734 32.2523 175.4938 188 T 4.4646 8.0683 111.8882 61.3852 71.5680 172.0673 189 G 4.2108 8.9668 110.5502 45.3935 0.0000 174.2824 *192 W 4.9147 7.5559 117.8781 56.0287 30.1239 176.0342 193 S 4.5180 8.9438 118.7901 57.9304 64.5349 175.2862 194 E 3.9912 8.5527 121.3746 59.5012 29.5629 179.6208 195 C 4.3433 8.2394 117.9720 59.7679 40.8198 175.4552 196 A 3.8315 7.7081 121.3330 54.6774 17.7611 179.0219 197 K 4.1482 7.5613 115.0513 57.8151 32.3543 178.6387 198 R 4.2899 7.6845 117.5650 58.6677 30.8163 175.6963 199 G 4.0208 7.5600 104.8197 45.3430 0.0000 172.0955 200 L 4.3577 8.3662 121.4052 55.1403 43.2050 176.7824 201 A 5.1443 7.7929 125.2988 50.4834 22.9392 175.3225 202 V 4.6899 8.5739 118.2375 61.1469 35.3052 174.5832 203 K 4.4465 8.7984 127.1986 55.1027 33.1172 174.9297 204 P 2.9700 0.0000 0.0000 62.4903 32.4892 175.2907 205 I 4.7560 7.8019 124.8525 58.7145 40.9137 174.8965 206 K 4.0979 8.9069 128.6814 58.7431 32.4178 175.9222 207 G 4.1445 9.2420 114.9143 45.4898 0.0000 173.1227 208 D 5.2159 7.9402 118.2368 54.3107 41.9953 176.0190 209 A 4.6250 8.8188 121.9870 50.3725 22.5188 175.9767 210 L 4.7488 8.3908 125.5115 53.5934 44.5602 175.2456 *212 F 4.9496 8.2896 113.3837 57.0594 39.5382 173.3633 213 Y 4.9641 8.8765 118.0610 57.4015 38.6739 176.1032 214 S 4.8310 9.2737 119.4831 58.4592 64.3145 174.0429 215 L 5.2393 7.8891 118.7272 52.4068 44.8112 176.3029 216 K 4.3856 8.7000 121.4679 55.3191 32.8250 176.5806 217 P 4.2476 0.0000 0.0000 65.8373 31.1628 177.5841 218 D 4.4646 7.9973 114.7934 54.0108 39.6413 176.9997 219 G 4.0013 8.2929 109.3879 45.0241 0.0000 173.9477 220 S 4.5429 8.3677 114.9596 57.6226 64.7735 173.5802 221 N 4.6636 8.7074 118.7719 53.6600 38.9006 174.5631 222 D 4.8651 8.9809 123.8660 51.9223 41.8410 175.1270 223 P 4.3459 0.0000 0.0000 64.9788 31.4635 178.2015 224 A 4.2207 8.2531 121.3970 53.9621 18.2493 177.9729 225 S 4.4739 8.4273 110.6319 58.0456 63.6839 174.1021 226 L 4.3086 7.6214 122.5232 55.4477 41.6672 175.6751 227 H 5.3164 8.6872 118.1800 54.1514 32.2890 172.0919 228 G 4.2065 9.0133 105.3486 45.4814 0.0000 171.3800 229 S 5.1645 8.3698 114.6676 56.3355 63.6367 174.5548 230 C 4.5616 9.1191 125.6109 56.0690 41.4713 171.5572 231 P 4.5503 0.0000 0.0000 63.6987 32.1257 175.5612 232 T 4.3607 8.4930 120.7296 63.7961 68.6309 173.8751 233 L 4.5354 8.8510 126.2359 55.7951 43.8399 177.2633 234 K 4.4052 8.5038 118.7314 55.8538 35.6990 175.8419 235 G 4.4138 8.1784 110.4733 43.0247 0.0000 171.5003 236 D 4.7491 8.2605 119.2887 52.1059 42.9979 174.5263 237 K 4.6746 8.6659 128.8288 55.0804 33.8646 174.9566 238 W 5.5604 9.1160 127.7078 55.0154 32.6158 174.8247 239 S 5.2241 9.4920 117.5368 56.6232 66.6564 172.4509 240 A 5.1258 8.4993 121.5639 50.4393 21.6764 175.5172 241 T 4.0962 8.8066 118.8825 61.2032 71.6180 172.9414 242 K 4.5471 8.0393 127.2275 54.3043 34.1456 174.9378 243 W 5.0218 8.6719 126.8408 55.2033 31.9623 175.0649 244 I 4.9775 8.6198 123.4662 60.0077 40.5629 174.6616 245 H 5.2143 9.1675 123.3161 54.1936 30.7391 175.5617 246 V 3.8032 8.3054 112.3868 63.5332 31.4839 176.3316 247 A 4.9227 7.8504 119.8599 48.8777 22.7463 173.6878 248 P 4.5194 0.0000 0.0000 62.9099 32.6362 177.0482 249 I 3.9658 8.6087 123.9954 61.6348 36.6432 175.9640 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 V 8.04 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00 30 G 8.72 3.39 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 0.00 31 F 8.82 4.64 0.00 3.03 3.11 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 32 G 8.07 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 33 E 8.69 4.08 0.00 1.96 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 2.32 2.40 0.00 34 L 8.43 4.73 0.00 1.64 1.68 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.14 4.15 0.00 1.86 1.94 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 36 E 7.67 4.70 0.00 1.92 1.89 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 2.18 2.27 0.00 37 E 8.03 4.00 0.00 1.95 1.94 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 2.34 2.48 0.00 38 W 8.82 4.30 0.00 3.09 3.16 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 39 R 7.33 4.11 0.00 1.49 1.58 0.00 3.27 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 40 G 4.00 3.57 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 0.00 0.00 0.00 41 E 8.68 4.23 0.00 2.10 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 2.45 2.35 0.00 42 V 8.47 4.93 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 0.92 0.00 0.00 1.07 0.00 0.00 43 V 8.80 4.47 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 0.90 0.00 0.00 1.01 0.00 0.00 44 H 9.06 4.33 0.00 3.22 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.02 4.30 0.00 1.45 1.54 0.93 1.12 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 46 S 6.71 4.31 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.84 4.76 0.00 3.33 3.15 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 48 S 7.86 4.70 0.00 3.88 3.73 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 49 P 0.00 5.25 0.00 2.24 2.06 0.00 3.34 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 50 R 8.67 4.39 0.00 2.10 2.10 0.00 2.85 0.00 0.00 3.56 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 51 A 8.42 5.20 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.88 5.24 0.00 2.93 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 53 L 9.22 4.83 0.00 1.80 1.61 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 L 9.10 5.25 0.00 1.29 1.45 0.29 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.44 4.80 0.00 1.82 1.89 0.00 2.23 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.67 7.81 56 N 9.04 4.32 0.00 3.13 3.07 0.00 0.00 6.97 7.50 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 57 F 8.52 3.15 0.00 2.39 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 58 L 7.92 4.72 0.00 1.61 1.48 0.91 0.61 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 59 S 8.75 4.42 0.00 4.14 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 60 D 8.58 4.36 0.00 2.71 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 61 E 8.22 3.98 0.00 2.02 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 2.39 2.47 0.00 62 E 8.15 3.88 0.00 2.14 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 2.18 2.25 0.00 63 C 8.11 4.07 0.00 3.16 3.15 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 64 D 8.51 4.25 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 65 Y 8.18 3.96 0.00 3.11 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 66 I 7.77 3.58 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.98 0.00 0.00 67 V 7.31 3.16 1.77 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 -0.25 0.00 0.00 0.38 0.00 0.00 68 E 7.71 3.91 0.00 1.76 1.84 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 2.39 2.34 0.00 69 K 7.82 3.94 0.00 1.29 1.80 0.00 1.44 0.00 0.00 1.05 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 1.56 7.81 70 A 8.40 4.33 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 4.06 0.00 1.91 2.01 0.00 3.28 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 72 P 0.00 4.33 0.00 2.24 2.18 0.00 3.82 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 2.01 1.99 0.00 73 K 7.98 4.35 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.98 0.00 0.00 2.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.39 1.42 7.81 *75 V 8.20 3.93 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 0.85 0.00 0.00 0.98 0.00 0.00 76 K 8.58 4.19 0.00 1.61 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 *94 T 8.29 4.19 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 1.22 0.00 0.00 95 S 7.85 4.60 0.00 3.50 3.50 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 96 T 8.23 4.64 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 1.15 0.00 0.00 97 G 8.50 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 4.73 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 0.99 0.00 0.00 99 W 8.49 5.15 0.00 3.44 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 0.00 100 F 8.75 5.21 0.00 3.01 2.96 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 0.00 101 A 9.77 4.65 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 0.00 102 K 8.20 4.30 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 103 G 9.24 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 0.00 0.00 0.00 0.00 104 E 8.26 4.08 0.00 2.18 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 0.00 2.45 2.36 0.00 105 D 7.74 5.04 0.00 2.67 2.36 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 0.00 106 S 8.49 4.08 0.00 4.04 4.08 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 0.00 0.00 0.00 0.00 107 V 7.55 3.32 1.24 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 0.28 0.00 0.00 0.43 0.00 0.00 108 I 8.69 3.66 1.73 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.81 0.00 0.00 109 S 8.09 4.23 0.00 4.01 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 0.00 110 K 7.62 3.83 0.00 1.76 1.83 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 111 I 7.28 3.57 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.22 0.83 0.00 0.00 112 E 8.41 4.02 0.00 2.11 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 2.32 2.53 0.00 113 K 8.22 3.98 0.00 1.98 1.88 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 114 R 7.90 3.95 0.00 1.80 1.94 0.00 2.21 0.00 0.00 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0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.05 4.04 0.00 2.10 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 0.00 2.33 2.26 0.00 125 N 8.12 4.89 0.00 3.07 3.15 0.00 0.00 7.11 8.22 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 0.00 126 H 7.90 5.19 0.00 3.17 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.00 4.47 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 128 G 8.91 4.27 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 0.00 129 L 8.46 4.64 0.00 1.67 1.50 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.83 4.09 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 131 V 8.66 4.84 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 1.30 0.00 0.00 1.13 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0.00 0.00 183 A 7.47 4.24 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 0.00 184 E 8.84 4.10 0.00 2.05 2.00 0.00 0.00 0.00 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 2.30 0.00 185 Q 7.61 4.51 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 186 K 8.29 4.44 0.00 1.53 1.57 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.37 7.81 187 V 7.62 3.85 0.67 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 -0.07 0.00 0.00 -0.04 0.00 0.00 188 T 8.07 4.46 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 1.17 0.00 0.00 189 G 8.97 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 *192 W 7.56 4.91 0.00 3.30 3.08 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 0.00 0.00 0.00 0.00 193 S 8.94 4.52 0.00 4.10 4.05 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 0.00 194 E 8.55 3.99 0.00 1.97 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 2.33 2.32 0.00 195 C 8.24 4.34 0.00 2.98 3.09 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 0.00 0.00 0.00 0.00 196 A 7.71 3.83 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 0.00 0.00 0.00 0.00 0.00 197 K 7.56 4.15 0.00 1.80 1.81 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.43 1.58 7.81 198 R 7.68 4.29 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 199 G 7.56 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 0.00 0.00 0.00 0.00 200 L 8.37 4.36 0.00 1.79 1.39 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.79 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 8.57 4.69 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 1.07 0.00 0.00 1.01 0.00 0.00 203 K 8.80 4.45 0.00 1.52 1.54 0.00 1.61 0.00 0.00 0.88 0.00 0.00 2.33 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.16 0.90 7.81 204 P 0.00 2.97 0.00 1.92 1.79 0.00 3.37 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 205 I 7.80 4.76 2.08 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 1.17 0.78 0.93 0.00 0.00 206 K 8.91 4.10 0.00 1.72 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.62 1.62 7.81 207 G 9.24 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 208 D 7.94 5.22 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 A 8.82 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 8.39 4.75 0.00 1.80 1.62 1.03 0.73 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 *212 F 8.29 4.95 0.00 3.23 3.15 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 0.00 213 Y 8.88 4.96 0.00 3.01 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 0.00 214 S 9.27 4.83 0.00 3.84 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 0.00 215 L 7.89 5.24 0.00 1.70 1.61 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.70 4.39 0.00 1.97 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.58 7.81 217 P 0.00 4.25 0.00 2.03 2.12 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 218 D 8.00 4.46 0.00 2.79 2.79 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 0.00 219 G 8.29 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 0.00 220 S 8.37 4.54 0.00 3.94 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 0.00 221 N 8.71 4.66 0.00 2.66 2.83 0.00 0.00 6.79 8.06 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 0.00 222 D 8.98 4.87 0.00 2.81 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 0.00 223 P 0.00 4.35 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 224 A 8.25 4.22 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 0.00 0.00 225 S 8.43 4.47 0.00 4.37 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 0.00 226 L 7.62 4.31 0.00 1.82 1.66 0.94 0.93 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 0.00 227 H 8.69 5.32 0.00 3.16 3.02 0.00 5.53 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.01 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 0.00 229 S 8.37 5.16 0.00 3.59 3.50 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 0.00 230 C 9.12 4.56 0.00 3.05 2.98 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 0.00 0.00 0.00 231 P 0.00 4.55 0.00 2.06 1.99 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 232 T 8.49 4.36 4.25 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 1.25 0.00 0.00 233 L 8.85 4.54 0.00 1.61 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 234 K 8.50 4.41 0.00 1.64 1.67 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.42 7.81 235 G 8.18 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 0.00 0.00 0.00 0.00 236 D 8.26 4.75 0.00 2.71 2.74 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 0.00 237 K 8.67 4.67 0.00 1.93 1.80 0.00 1.72 0.00 0.00 1.37 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.61 7.81 238 W 9.12 5.56 0.00 3.25 3.12 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 0.00 239 S 9.49 5.22 0.00 3.83 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 0.00 240 A 8.50 5.13 1.16 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 0.00 241 T 8.81 4.10 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 242 K 8.04 4.55 0.00 1.52 1.42 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 243 W 8.67 5.02 0.00 3.73 2.96 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 0.00 244 I 8.62 4.98 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.82 0.00 0.00 245 H 9.17 5.21 0.00 3.25 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 V 8.31 3.80 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 0.76 0.00 0.00 1.01 0.00 0.00 247 A 7.85 4.92 1.28 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 0.00 0.00 248 P 0.00 4.52 0.00 2.09 1.99 0.00 3.62 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 2.12 2.14 0.00 249 I 8.61 3.97 1.87 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 1.14 0.56 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.