NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4687 8.2876 121.7328 56.3958 31.1172 174.2769 4 T 5.1088 8.6031 116.6127 59.3224 71.8498 171.4667 5 A 4.8643 8.3294 125.2740 49.5687 21.5474 175.9601 6 P 4.5536 0.0000 0.0000 61.6851 33.5034 175.3748 7 L 4.5927 8.3244 123.3612 55.1063 42.8237 176.1974 8 R 4.5841 9.0159 125.7432 54.6478 33.6649 173.5658 9 V 4.7180 8.4706 125.5478 61.1773 34.2053 174.3672 10 Q 4.7039 8.9396 126.5952 53.8974 32.2226 174.3573 11 L 4.6321 8.9248 127.1156 54.9222 42.0254 175.9711 12 I 4.5224 8.5859 119.7342 61.1844 39.7708 175.6189 13 A 4.8567 7.6171 123.2271 50.6386 22.5595 174.9811 14 K 5.1288 8.1559 117.8423 55.9670 35.8936 175.6238 15 T 4.0707 8.5270 117.8268 63.8491 69.0471 173.3118 16 D 4.9973 8.7321 125.3858 52.4911 43.0566 174.8129 17 F 5.0370 8.9335 127.6937 56.4577 41.9028 174.8690 18 L 4.1192 7.5770 124.5073 51.9286 42.8121 175.7126 19 A 3.4555 7.5772 126.0620 51.3242 19.0948 175.5295 20 P 4.2408 0.0000 0.0000 61.6271 31.9593 175.6266 21 P 4.1981 0.0000 0.0000 65.6670 31.3527 176.6986 22 D 4.7169 7.9078 115.2239 53.9476 40.8382 175.6341 23 V 4.0204 7.2357 119.6563 60.3676 33.1009 175.3443 24 P 4.6998 0.0000 0.0000 61.2733 29.6490 175.4963 25 W 5.3202 7.5429 128.5515 56.8025 34.3227 173.4002 26 T 3.9286 7.6313 113.4543 60.1539 71.3958 172.3525 27 T 4.4249 7.0745 117.2497 62.1659 72.6095 173.1084 28 D 4.5757 8.5437 118.6571 54.2186 40.7509 174.8246 29 A 4.4564 7.2930 118.9647 51.5074 21.7105 174.7619 30 D 4.9268 7.7798 117.4115 52.9060 43.5318 175.8757 31 G 3.9915 8.9439 106.9581 46.7302 0.0000 175.8962 32 G 3.9415 8.8704 107.3215 47.0756 0.0000 173.0640 33 P 4.4706 0.0000 0.0000 65.1639 31.3539 178.6178 34 A 4.0876 7.7503 118.1882 54.9273 18.2208 179.3562 35 L 3.0540 7.4761 118.8225 57.9363 42.0538 179.4267 36 V 3.6339 7.9103 118.1088 65.9890 31.4017 177.4264 37 E 4.0647 8.2141 119.0296 59.3794 29.4890 178.5079 38 F 3.3114 8.1915 120.2317 61.0794 39.1816 176.8530 39 A 4.1167 8.3173 119.5536 55.1278 17.9277 179.5760 40 G 3.8296 8.3495 104.2799 48.1884 0.0000 176.2980 41 R 3.7030 8.0393 120.6545 58.3746 29.6446 178.9182 42 A 3.6092 7.2082 120.0300 55.0613 18.3152 178.5383 43 C 3.9983 7.4115 113.7777 62.4720 28.2138 174.3136 44 Y 4.3198 7.5237 113.8422 57.0214 38.5414 175.2149 45 Q 2.5200 7.1232 118.0481 56.4828 27.5494 174.9280 46 S 4.3900 6.8803 109.4136 57.0050 62.2382 173.9803 47 W 4.7064 7.4087 122.9099 60.3685 29.7416 178.1670 48 S 4.5104 8.1030 111.1065 58.3364 63.2157 174.4526 49 K 4.5124 8.1676 122.4510 53.7195 31.1556 174.0997 50 P 4.2300 0.0000 0.0000 65.0509 31.9089 177.1068 51 N 4.6550 7.9160 119.4718 50.9826 39.1110 173.1445 52 P 4.2743 0.0000 0.0000 66.2306 31.7543 179.7031 53 K 4.0151 8.5717 119.4184 57.1643 31.6196 180.7541 54 T 4.5383 7.6881 106.2323 61.4335 68.7349 174.8695 55 A 4.3789 7.7751 123.1194 53.1774 18.8155 178.4037 56 T 4.6925 7.4283 107.3564 59.7189 72.6519 174.9456 57 N 4.8023 8.8178 120.7664 56.5091 39.0853 176.9035 58 A 4.1520 8.1464 121.8880 55.1139 18.5384 179.7150 59 G 3.5436 8.2132 104.3148 48.0452 0.0000 175.3571 60 Y 3.9819 8.4178 122.4301 60.3888 38.6244 178.1505 61 L 4.0938 8.2415 121.3377 58.4545 41.8198 179.8873 62 R 4.0527 7.9556 119.6266 61.8086 29.6389 179.8447 63 H 4.3857 8.0856 118.9709 58.8980 29.6551 177.5828 64 I 3.2617 7.2569 117.3214 62.5819 36.3758 177.2830 *66 D 4.4354 7.9849 121.7775 54.0539 42.4064 176.7902 67 V 3.8386 7.3962 115.3767 60.8411 31.8571 175.9250 68 G 3.2306 7.5397 110.4335 47.8783 0.0000 175.2801 *69 H 4.5282 7.5205 115.8814 53.1258 26.8827 178.8395 70 F 4.4682 7.5782 122.3423 59.7233 39.5678 177.5799 71 S 4.2485 8.1270 113.8971 61.1008 62.7892 176.4064 72 V 3.7644 7.6057 121.6603 65.6402 30.9218 177.6612 73 L 4.3980 8.0405 118.1153 57.0384 41.2299 178.8146 74 E 4.3330 7.7940 117.5257 59.1218 29.3780 178.4341 75 H 4.2947 7.7135 114.4128 57.0885 29.3454 175.2367 76 A 4.7243 7.2145 121.9983 50.3508 21.0361 176.2783 77 S 5.2021 8.7949 114.5172 56.9068 67.4653 172.9934 78 V 4.6793 9.3098 119.5273 61.4443 35.2928 173.9740 79 S 5.4698 8.9305 122.1816 56.8104 66.2212 173.1257 80 F 5.3971 9.3801 122.1276 55.8888 42.9283 173.5217 81 Y 5.2672 9.3364 123.3337 56.3378 40.6032 174.2590 82 I 4.9814 8.7924 128.5581 59.7024 40.0194 175.0228 83 T 4.6391 8.4441 116.4552 59.3278 72.5972 173.5256 84 G 4.5400 8.9511 106.5155 46.1688 0.0000 173.0702 85 I 4.6161 6.9589 118.7910 58.3777 40.6199 175.0994 86 S 4.8627 9.0189 122.7836 57.7435 65.3724 175.6794 87 R 4.0351 8.4648 123.0256 58.8448 29.5351 179.6776 88 S 4.1872 7.9069 114.2662 61.3383 62.9622 176.2302 89 C 4.1484 8.0387 122.3594 62.5303 30.8586 175.6646 90 T 3.8785 7.9709 111.4364 64.9729 68.0271 175.9726 91 H 4.1235 8.0323 120.4179 58.7838 30.0827 176.9225 92 E 4.1618 7.9882 120.6485 59.0681 29.5072 178.4582 93 L 4.1542 8.2517 121.0849 58.3581 41.9560 178.6452 94 I 3.6371 7.4067 110.6044 61.4042 37.7068 177.5765 95 R 4.2285 7.8269 120.1334 58.1436 29.8768 176.1852 96 H 4.5161 8.0994 116.4600 55.5803 28.5130 175.4833 97 R 4.3557 8.5867 123.7811 57.6003 30.5742 176.6747 98 H 4.8034 7.8120 114.5191 55.9541 29.3113 174.3296 99 F 5.0303 7.7622 115.8078 55.7388 42.8335 174.7845 100 S 4.6651 8.6476 116.0797 56.9873 65.6995 173.1201 101 Y 5.4163 8.3183 119.5138 56.4702 42.4578 174.6333 102 S 4.7893 9.1215 117.8287 57.0483 66.7942 172.8447 103 Q 5.0753 8.7406 125.4558 53.5062 32.0295 174.5007 104 L 3.9536 8.5919 127.1975 56.1064 42.7622 176.2454 105 S 4.6628 8.7536 120.6035 56.7465 63.3219 174.6974 106 Q 4.0665 8.6229 127.1243 58.6283 28.8479 177.8894 107 R 3.9984 7.8710 116.1711 58.4307 30.3018 176.8547 108 Y 4.7549 7.5451 113.7603 58.1750 39.3329 175.9613 109 V 4.3578 7.9254 119.8486 59.9065 32.9255 173.4785 110 P 4.3830 0.0000 0.0000 63.7528 31.7320 175.8054 111 E 4.4205 8.9795 123.2051 56.4067 30.0738 178.6022 112 K 4.0137 8.3009 121.9555 57.2007 31.7686 181.9331 113 D 5.0012 7.8114 116.3218 53.8304 41.2784 176.5335 114 S 4.2715 7.5220 113.5306 58.3224 63.7340 173.9828 115 R 4.5321 8.1947 120.8948 55.7741 32.2627 175.4220 116 V 4.8289 8.4207 112.9709 59.7508 35.3141 175.0446 117 V 4.5383 8.4519 123.0855 61.0838 32.7864 175.7040 118 V 3.7771 8.3512 128.2679 61.6121 31.9835 173.8022 119 P 4.3262 0.0000 0.0000 62.1486 31.6966 175.5159 120 P 4.2108 0.0000 0.0000 65.7006 31.3567 178.3942 121 G 3.7582 7.3165 105.0114 45.9608 0.0000 174.3356 *123 E 4.3279 8.2304 121.5978 55.5683 31.2660 176.5066 124 D 4.6006 8.0563 114.9703 53.0593 40.0225 176.1333 125 D 4.7158 7.6209 119.9348 52.5449 42.3797 175.7529 126 A 3.9782 8.4012 130.0951 55.1172 18.4981 178.4374 127 D 4.2833 8.1005 116.0709 57.5100 41.4475 178.3497 128 L 4.0353 7.9965 119.3699 57.7605 41.5501 179.5845 129 R 3.9294 8.2237 118.2447 59.5593 30.0085 178.5908 130 H 4.1980 8.2617 119.2606 58.6732 29.8762 177.3353 131 I 3.6640 7.8268 121.6570 64.2224 36.8715 178.0803 132 L 3.9367 7.9850 121.2746 58.5267 42.0579 179.2400 133 T 3.8777 8.0913 109.7245 64.6867 68.7214 176.4958 134 E 4.0088 8.3004 121.3958 58.9881 29.4220 179.0518 135 A 3.9534 8.1145 120.7117 55.0784 18.3836 179.5406 136 A 3.9260 8.2490 119.5387 55.2922 18.4584 179.5267 137 D 4.2581 8.2817 117.2280 57.5497 40.9159 178.8378 138 A 4.0014 8.0105 120.9338 55.2452 18.2697 179.5995 139 A 3.9754 8.0693 119.2113 55.3320 18.4520 180.1357 140 R 3.8826 8.3488 116.6687 59.1605 30.2176 178.9719 141 A 4.0482 8.1222 120.6320 55.6772 18.3249 179.8904 142 T 3.8478 8.1528 114.1776 66.7133 68.4161 176.0604 143 Y 4.1364 8.3949 121.9271 61.2231 38.9032 178.7444 144 S 4.0671 8.4063 115.7405 61.3855 62.7342 176.4137 145 E 3.9068 8.1390 121.8389 59.2085 29.4331 178.8951 146 L 3.9039 8.1922 119.4469 57.5962 41.6107 179.1247 147 L 3.7491 7.9450 120.3471 58.0071 41.9396 178.7661 148 A 3.9264 7.7123 120.0674 55.3365 18.4082 179.7241 149 K 3.8454 7.7281 116.6784 59.6172 32.0842 179.6828 150 L 3.6221 8.3191 119.6507 57.5140 41.2704 179.2722 151 E 4.0330 8.2912 117.9465 59.4152 29.5941 178.9411 152 A 4.0948 7.9416 120.7726 55.0220 18.1981 179.6329 153 K 3.8157 7.6668 117.1859 58.9712 32.1868 177.9703 154 F 5.1411 7.4995 115.7853 57.5247 39.7805 176.9350 155 A 4.1810 7.8490 125.7050 55.3023 18.3109 180.2659 156 D 4.7246 8.1163 113.0143 53.6561 38.9596 175.7438 157 Q 4.4998 7.9091 121.5705 54.3216 30.0491 173.2297 158 P 4.2822 0.0000 0.0000 65.4135 31.8109 177.2272 159 N 4.5238 8.0709 117.5110 52.8209 39.5525 175.1766 160 A 4.0406 8.5919 130.8655 55.2376 18.5974 179.0482 161 I 3.6878 7.8259 117.8675 64.6302 37.1805 178.5426 162 L 4.0321 8.1552 119.7200 57.5600 41.5458 179.4623 163 R 3.8564 8.1128 118.7360 59.6253 30.0597 178.8872 164 R 4.0039 8.0915 117.8520 58.9174 29.9495 178.9769 165 K 3.9397 7.9396 119.0762 59.6689 32.1193 178.7407 166 Q 3.8060 8.2179 118.2902 58.8464 28.4353 178.9807 167 A 4.3162 7.9827 121.1448 55.2670 18.5380 179.4857 168 R 3.8239 8.4406 117.8652 59.7766 29.9531 178.7352 169 Q 4.0144 8.2923 116.0196 58.9559 28.8342 178.0241 170 A 4.2058 7.7758 121.1808 54.8202 18.6637 179.4107 171 A 3.9694 8.3485 119.8616 54.9991 18.1704 179.7336 172 R 4.2082 8.2083 113.4238 58.7053 29.3608 178.1494 173 A 4.3033 7.7175 121.3590 54.4112 19.1611 178.0704 174 V 3.8655 7.2799 111.7266 59.3350 30.5023 173.6678 *176 P 4.2265 0.0000 0.0000 61.8316 32.6248 177.8637 177 N 4.1792 8.7870 116.0987 56.9183 38.6969 176.8063 178 A 4.1940 7.9060 118.0082 53.6951 19.6428 177.7861 179 T 4.0500 7.8936 113.4554 63.8631 69.5001 173.4823 180 E 4.2692 8.8931 127.8868 56.8907 29.2227 175.5284 181 T 4.8151 9.1341 120.0848 60.3990 71.8861 172.2388 182 R 4.9535 8.2038 120.6609 54.6036 34.7904 174.3795 183 I 4.9927 8.5566 121.8626 59.8950 42.3157 173.2738 184 V 4.8880 9.2661 129.6848 61.7351 33.2064 174.5166 185 V 4.8651 9.0684 128.0768 61.3915 34.2962 174.1093 186 T 5.2637 8.7746 124.4943 61.9065 71.5955 173.3760 187 G 4.5965 9.3762 111.9884 44.9522 0.0000 172.3364 188 N 6.0136 8.5327 118.1814 51.3072 38.8675 175.8046 189 Y 4.9577 8.2803 114.7313 61.3101 37.7090 178.9960 190 R 4.0094 8.3447 119.2337 59.3420 30.3587 178.2400 191 A 3.8000 8.5978 120.8281 54.8962 18.2122 179.6181 192 W 4.7759 8.5749 117.5173 60.1700 29.1335 178.8350 193 R 4.3294 8.7794 118.1226 59.8580 29.3874 178.5784 194 H 4.2463 8.2638 116.4690 59.1417 29.9189 176.6865 195 F 4.2963 8.2911 121.3852 61.4066 39.5702 176.7497 196 I 3.5636 8.2752 119.2515 64.2221 36.6325 178.5057 197 A 4.3107 7.8706 116.3006 53.7510 18.4165 178.3584 *199 R 4.0951 7.9788 119.6057 56.6712 32.3502 175.9848 200 A 4.4846 7.7049 121.8545 52.2375 19.6310 176.3699 201 S 5.0656 7.5180 114.0060 56.9238 66.1941 174.8185 202 E 4.0300 8.5339 118.3134 59.2126 29.4231 177.9778 203 H 4.3324 7.7989 115.5111 57.6922 29.0891 175.6669 204 A 4.3293 7.4719 121.5492 50.9166 19.4021 177.2050 205 D 4.4460 8.5060 119.0111 54.7918 43.0970 178.3487 206 V 3.6157 8.3543 118.7101 64.2315 31.7168 178.5286 207 E 3.8780 8.6662 119.4243 59.4733 29.5152 178.8678 208 I 3.7947 7.7005 118.0367 63.6347 38.0795 177.5401 209 R 4.5508 8.0628 121.3605 58.9151 29.9348 178.3705 210 R 3.8347 8.0331 118.3773 59.2195 29.9458 178.1008 211 L 3.8374 7.8297 119.4651 58.1145 42.0794 178.5591 212 A 4.1002 8.1993 120.9197 55.4670 18.2150 179.5656 213 I 3.5399 7.7199 118.0237 64.5071 37.3039 178.3338 214 E 3.8031 8.0193 119.9259 59.3579 29.4025 178.4896 215 C 3.3394 8.0459 116.9836 62.5026 28.1370 175.7960 216 L 3.6694 8.0109 122.0634 58.2765 41.4222 179.2000 217 R 3.9133 7.9728 117.8806 59.4384 29.8544 179.1472 218 Q 3.9872 7.8353 117.3770 58.7929 28.7769 178.5858 219 L 3.6635 8.0438 120.2696 57.5391 41.3213 179.4123 220 A 4.2775 8.2756 120.9016 55.0124 18.0236 179.5479 221 A 3.9704 7.5033 118.7562 54.9051 18.5013 179.8301 222 V 3.8788 7.3328 115.7245 64.6651 32.8032 176.6193 223 A 4.7298 8.3519 122.8824 48.9094 19.0662 174.1024 224 P 4.5565 0.0000 0.0000 64.5112 32.0562 179.0178 225 A 4.0364 8.0834 119.2341 55.1420 18.5067 178.8259 226 V 3.5755 7.4882 114.4106 64.9439 31.8718 176.5965 227 F 4.9682 7.9930 115.2484 56.8868 40.2710 176.8055 228 A 4.1671 8.1114 124.5345 55.0733 18.2533 178.8800 229 D 4.3737 8.0084 114.0789 55.7279 39.7044 176.3468 230 F 4.5261 7.9936 119.4172 57.5170 39.4816 174.6940 231 E 4.6593 9.4811 124.8990 54.7477 31.4797 175.3417 232 V 4.7994 8.4619 125.0162 62.0546 32.6940 175.0160 233 T 4.7749 8.8719 117.7625 60.1873 72.1542 172.8013 234 T 4.8090 8.3540 119.9260 62.3952 69.9961 175.0840 235 L 4.3048 9.3264 127.0709 53.5259 42.7725 177.7740 236 A 3.9388 8.5151 122.5000 55.1257 18.1864 178.1356 237 D 4.5842 8.0991 112.8997 53.2222 39.8209 177.4679 238 G 3.9637 8.2582 109.2319 45.6801 0.0000 174.3132 239 T 4.2064 7.7866 116.3278 63.5673 69.7398 173.4343 240 E 5.1263 8.5966 123.2457 54.9425 31.8013 175.4631 241 V 4.6995 8.7996 121.7924 61.0447 35.5939 173.9155 242 A 5.3446 9.1082 126.2333 50.5459 21.6874 175.7607 243 T 4.9044 9.0066 117.3574 61.8992 73.0973 173.0660 244 S 4.7945 8.3866 117.5175 55.5694 65.6599 172.0329 245 P 4.3782 0.0000 0.0000 63.2366 31.1027 175.9879 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 3 E 8.29 4.47 0.00 2.11 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 2.27 2.37 0.00 4 T 8.60 5.11 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 1.20 0.00 0.00 5 A 8.33 4.86 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 6 P 0.00 4.55 0.00 2.10 2.16 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 7 L 8.32 4.59 0.00 1.62 1.58 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.02 4.58 0.00 1.82 1.62 0.00 3.08 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 9 V 8.47 4.72 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 0.35 0.00 0.00 0.76 0.00 0.00 10 Q 8.94 4.70 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 11 L 8.92 4.63 0.00 1.95 1.58 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.59 4.52 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 1.05 0.00 0.00 13 A 7.62 4.86 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 14 K 8.16 5.13 0.00 1.75 1.71 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.34 7.81 15 T 8.53 4.07 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 1.28 0.00 0.00 16 D 8.73 5.00 0.00 2.67 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 17 F 8.93 5.04 0.00 3.10 3.03 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 0.00 0.00 0.00 18 L 7.58 4.12 0.00 1.27 1.30 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.58 3.46 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 20 P 0.00 4.24 0.00 2.10 1.88 0.00 3.44 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 21 P 0.00 4.20 0.00 1.99 2.09 0.00 3.59 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 1.97 2.06 0.00 22 D 7.91 4.72 0.00 2.62 2.64 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 23 V 7.24 4.02 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 -0.66 0.00 0.00 0.70 0.00 0.00 24 P 0.00 4.70 0.00 2.32 2.12 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 25 W 7.54 5.32 0.00 3.56 3.03 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 0.00 0.00 0.00 26 T 7.63 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 1.08 0.00 0.00 27 T 7.07 4.42 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 1.39 0.00 0.00 28 D 8.54 4.58 0.00 2.62 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 29 A 7.29 4.46 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 30 D 7.78 4.93 0.00 2.91 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 31 G 8.94 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 32 G 8.87 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 33 P 0.00 4.47 0.00 2.28 2.25 0.00 3.97 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 34 A 7.75 4.09 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 35 L 7.48 3.05 0.00 1.51 1.74 1.03 0.80 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 36 V 7.91 3.63 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 45 Q 7.12 2.52 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.41 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 46 S 6.88 4.39 0.00 3.81 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 47 W 7.41 4.71 0.00 3.40 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 48 S 8.10 4.51 0.00 4.04 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 49 K 8.17 4.51 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.39 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.54 7.81 50 P 0.00 4.23 0.00 2.16 2.18 0.00 3.75 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 1.95 1.93 0.00 51 N 7.92 4.66 0.00 2.70 2.72 0.00 0.00 7.17 7.71 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 52 P 0.00 4.27 0.00 2.21 2.11 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 53 K 8.57 4.02 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.26 7.81 54 T 7.69 4.54 4.43 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 1.04 0.00 0.00 55 A 7.78 4.38 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 56 T 7.43 4.69 4.28 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 1.24 0.00 0.00 57 N 8.82 4.80 0.00 2.95 2.93 0.00 0.00 7.57 7.75 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 58 A 8.15 4.15 1.37 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 0.00 0.00 59 G 8.21 3.54 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 0.00 0.00 0.00 60 Y 8.42 3.98 0.00 3.43 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 61 L 8.24 4.09 0.00 1.71 1.76 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 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1.82 1.64 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.75 4.66 0.00 3.98 3.97 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 0.00 106 Q 8.62 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 107 R 7.87 4.00 0.00 1.17 1.60 0.00 3.04 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 108 Y 7.55 4.75 0.00 3.03 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 0.00 109 V 7.93 4.36 2.25 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 0.84 0.00 0.00 1.03 0.00 0.00 110 P 0.00 4.38 0.00 2.14 2.11 0.00 3.76 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 2.09 2.21 0.00 111 E 8.98 4.42 0.00 1.16 1.51 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 2.33 2.20 0.00 112 K 8.30 4.01 0.00 1.77 1.74 0.00 1.77 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 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.07 3.98 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 0.00 140 R 8.35 3.88 0.00 1.86 2.01 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 141 A 8.12 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.15 3.85 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 1.23 0.00 0.00 143 Y 8.39 4.14 0.00 3.10 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 0.00 144 S 8.41 4.07 0.00 4.11 3.93 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 0.00 145 E 8.14 3.91 0.00 2.17 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 2.28 2.33 0.00 146 L 8.19 3.90 0.00 1.76 1.62 0.93 0.34 0.00 0.00 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0.00 0.00 197 A 7.87 4.31 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *199 R 7.98 4.10 0.00 1.15 1.70 0.00 3.28 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 200 A 7.70 4.48 1.21 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 0.00 201 S 7.52 5.07 0.00 4.00 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 0.00 202 E 8.53 4.03 0.00 2.03 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 2.10 2.00 0.00 203 H 7.80 4.33 0.00 3.21 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 7.47 4.33 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 0.00 205 D 8.51 4.45 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 V 8.35 3.62 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 0.76 0.00 0.00 0.92 0.00 0.00 207 E 8.67 3.88 0.00 2.01 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 2.30 2.30 0.00 208 I 7.70 3.79 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.95 0.00 0.00 209 R 8.06 4.55 0.00 2.04 2.05 0.00 3.18 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 210 R 8.03 3.83 0.00 2.01 2.08 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 211 L 7.83 3.84 0.00 1.86 1.92 0.87 1.02 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 0.00 212 A 8.20 4.10 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 0.00 213 I 7.72 3.54 1.94 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 1.52 0.78 0.92 0.00 0.00 214 E 8.02 3.80 0.00 2.01 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 2.18 2.19 0.00 215 C 8.05 3.34 0.00 3.13 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.01 3.67 0.00 1.52 1.80 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.97 3.91 0.00 1.95 1.92 0.00 3.13 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 1.61 1.88 0.00 218 Q 7.84 3.99 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 219 L 8.04 3.66 0.00 0.75 0.13 0.25 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.28 4.28 1.41 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 0.00 221 A 7.50 3.97 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 0.00 222 V 7.33 3.88 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 0.91 0.00 0.00 0.93 0.00 0.00 223 A 8.35 4.73 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 0.00 224 P 0.00 4.56 0.00 2.24 2.18 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 225 A 8.08 4.04 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 0.00 226 V 7.49 3.58 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 0.09 0.00 0.00 0.86 0.00 0.00 227 F 7.99 4.97 0.00 3.22 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 0.00 228 A 8.11 4.17 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 0.00 229 D 8.01 4.37 0.00 2.64 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 0.00 230 F 7.99 4.53 0.00 3.29 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 0.00 231 E 9.48 4.66 0.00 1.87 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 2.46 2.39 0.00 232 V 8.46 4.80 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 0.84 0.00 0.00 0.96 0.00 0.00 233 T 8.87 4.77 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 1.22 0.00 0.00 234 T 8.35 4.81 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 1.26 0.00 0.00 235 L 9.33 4.30 0.00 1.89 1.59 0.90 0.23 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 0.00 236 A 8.52 3.94 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 0.00 237 D 8.10 4.58 0.00 2.78 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 0.00 238 G 8.26 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 0.00 239 T 7.79 4.21 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 1.19 0.00 0.00 240 E 8.60 5.13 0.00 1.81 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 2.22 2.27 0.00 241 V 8.80 4.70 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 0.90 0.00 0.00 242 A 9.11 5.34 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 0.00 243 T 9.01 4.90 4.28 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 1.23 0.00 0.00 244 S 8.39 4.79 0.00 2.73 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 0.00 245 P 0.00 4.38 0.00 2.02 1.96 0.00 3.64 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 1.99 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.