NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2340 7.8827 121.4514 61.2190 38.6635 173.7956 17 V 4.3158 8.6733 126.3231 61.9590 32.5086 174.5348 18 G 3.7349 8.4862 114.3141 46.7974 0.0000 173.3908 19 G 4.2350 7.7666 110.1599 44.2735 0.0000 172.7466 20 Y 4.9748 7.6854 117.0433 55.2468 42.7543 175.0200 21 T 4.2439 8.5664 117.2694 64.0274 68.9277 175.9956 22 C 4.0957 8.6690 125.4145 59.3604 35.2067 175.5602 23 G 4.0052 7.8616 104.9342 44.9063 0.0000 172.8268 24 A 4.2594 8.5125 126.1218 53.7426 18.6582 176.7872 25 N 4.2640 8.8712 119.0869 54.5073 36.1448 175.3619 26 T 4.2019 7.6450 107.5724 62.6741 69.8469 175.2676 27 V 4.0380 7.0712 122.6239 60.1620 31.2780 173.5132 28 P 4.5053 0.0000 0.0000 64.0100 32.1137 178.1673 29 Y 4.9798 6.8188 115.8872 56.7114 38.8507 174.7930 30 Q 4.5357 7.1978 123.0504 56.1917 29.6591 175.2554 31 V 4.7628 8.7942 125.5515 61.1726 35.1991 173.7602 32 S 4.8358 8.7767 120.7450 56.4972 64.8926 172.4845 33 L 4.5531 8.3946 127.4591 53.1488 43.3784 175.0116 34 N 5.7487 8.8414 122.1633 49.8547 42.2029 174.8349 *37 S 4.2037 8.3824 120.2585 58.3276 64.0859 174.4776 38 G 3.9502 9.6641 107.4099 45.7729 0.0000 172.4509 39 Y 4.4695 6.5386 115.0014 56.2391 39.8426 172.4675 40 H 4.5625 8.9014 121.9084 56.1217 30.3349 174.7496 41 F 5.0506 7.7426 120.3316 57.0527 39.7847 174.2066 42 C 4.7333 6.8585 114.8208 56.0369 44.7338 173.7736 43 G 4.1931 8.6357 109.7443 45.8063 0.0000 172.2068 44 G 4.4977 7.7123 102.4184 46.4136 0.0000 172.6590 45 S 5.5008 8.7357 115.3023 56.4435 66.9442 173.6327 46 L 4.7756 9.1466 127.5125 54.7958 42.4131 177.0686 47 I 4.5225 8.6177 119.5151 61.0774 38.8124 174.3912 48 N 4.8210 7.5813 117.2973 52.1776 39.5419 174.7199 49 S 4.3484 8.7081 111.5525 60.5712 63.2729 174.5426 50 Q 4.5443 8.9672 121.0017 55.2705 30.9736 174.2254 51 W 5.5860 8.4214 116.3462 55.4496 33.6045 174.2287 52 V 5.0186 9.0794 123.3994 61.1601 34.3994 174.1187 53 V 4.8573 8.7657 127.2018 61.8111 33.3355 174.7162 54 S 5.1712 8.9733 121.1445 57.6273 66.1750 171.9026 55 A 4.7049 8.5125 120.3835 50.6500 20.3979 178.4768 56 A 3.8396 8.3028 124.4415 55.2575 18.4564 179.0162 57 H 4.5493 8.1997 109.0720 56.9626 28.8068 175.3710 58 C 4.6294 7.8117 117.2306 57.5569 40.5370 173.3627 59 Y 4.1501 7.6701 122.3880 57.7397 38.7225 175.1408 60 K 3.7153 7.0313 123.9224 55.8775 34.9988 174.6930 61 S 4.2914 8.0053 114.2772 58.3147 64.4133 173.2868 62 G 3.6309 8.4061 106.3817 46.6636 0.0000 173.6186 63 I 4.2524 7.5519 119.8742 59.9713 39.1871 175.1019 64 Q 4.7797 8.8061 128.6694 54.2318 31.3067 174.2434 65 V 4.2764 8.6916 127.3625 62.1106 33.3374 174.6364 66 R 4.9964 8.8644 127.4689 54.6820 32.3247 175.1238 67 L 4.7074 8.9896 124.8430 52.8145 44.4668 177.7469 *69 G 3.9035 8.2683 108.2786 45.3461 0.0000 172.8340 70 E 4.3401 8.2041 118.5204 55.7831 29.8893 174.4131 71 D 4.8281 7.9304 118.2094 55.3590 43.8859 174.2816 72 N 5.0760 8.8826 120.7761 52.9725 39.0519 176.2322 73 I 3.9534 8.3397 119.8920 62.3283 37.8715 176.3278 74 N 4.7228 8.5146 117.9258 53.1402 39.3492 174.9032 75 V 4.3315 7.3113 116.9166 60.5716 34.0957 174.9947 76 V 4.0303 8.4311 126.7009 62.7936 31.2279 175.2075 77 E 4.4037 9.3104 127.1142 55.5799 30.7588 177.1048 78 G 3.9194 8.1619 105.8621 46.4023 0.0000 174.0692 79 N 4.5341 8.8997 116.1454 52.9163 36.6011 174.3376 80 E 4.5343 7.7104 117.3780 56.3524 30.7156 176.2604 81 Q 4.4640 9.0310 121.0962 54.2535 32.6958 174.0703 82 F 5.5267 8.8633 122.8659 55.9827 40.9710 175.2727 83 I 4.7084 8.7594 124.3530 59.3452 41.1086 175.4111 84 S 4.5846 8.7125 122.2201 58.2842 64.2221 173.2715 85 A 4.4879 8.3803 125.8809 52.1468 18.1318 177.8628 86 S 4.5443 8.9323 117.9721 59.8678 64.4498 174.6337 87 K 4.6398 7.5283 117.3374 55.8379 35.5048 174.6619 88 S 5.1492 8.8137 117.6484 57.0008 66.0875 173.6750 89 I 4.4342 9.0788 126.2707 59.4090 38.5982 175.0091 90 V 4.1233 8.2230 127.2957 62.3423 32.5895 175.1785 91 H 3.9263 8.6470 127.0861 56.0454 29.9709 174.5561 92 P 4.3432 0.0000 0.0000 65.1647 31.4066 177.2016 93 S 4.6884 7.9239 112.1178 58.0701 63.3759 173.3554 94 Y 4.3382 8.0756 123.3812 57.6967 39.1226 174.4959 95 N 4.4225 8.1628 125.3411 51.4037 40.5378 175.0940 96 S 3.9911 7.8624 119.7390 59.4896 63.6746 175.0107 97 N 4.3949 8.2051 119.0051 55.2964 38.5569 176.0227 98 T 4.0532 7.6707 105.4660 60.5675 69.9846 174.7333 99 L 3.7241 7.7166 120.5607 55.5099 39.9904 174.0025 100 N 4.4806 7.7323 116.8987 54.6015 39.6188 174.4744 101 N 4.4800 8.6273 119.1790 53.9343 35.9342 175.7562 102 D 4.7020 7.8930 117.6815 52.9147 40.0227 174.7505 103 I 4.7912 7.1869 121.0210 59.2780 42.2585 172.7325 104 M 5.3793 9.1349 126.8912 54.1094 36.2456 173.3795 105 L 5.3880 9.0740 124.5223 53.2427 44.9057 175.3980 106 I 5.0168 9.0952 123.3469 59.4491 40.6128 174.2977 107 K 3.6635 8.5333 128.7202 54.6549 33.5405 175.6026 108 L 4.5242 8.1155 127.7958 54.0171 42.0532 177.1001 109 K 4.0565 8.8083 124.4557 59.0071 32.6087 177.2421 110 S 4.6971 7.7372 112.7986 55.9899 66.6952 173.2911 111 A 4.4305 8.3628 124.1818 51.8780 18.7793 177.5135 112 A 4.1950 8.8446 123.7633 51.8994 19.6335 177.8961 113 S 4.4449 8.9722 117.1127 57.6446 63.0915 174.4602 114 L 4.5357 8.4721 125.6738 54.3465 42.5321 176.6070 115 N 4.8076 8.6603 118.3453 52.5052 39.7123 174.8992 116 S 4.2501 8.7756 111.6214 61.3319 63.2016 175.0218 117 R 4.2855 8.3056 118.3210 56.1508 30.7289 176.2651 118 V 4.4489 7.8112 116.3579 60.9606 33.6304 173.7233 119 A 5.1452 8.5967 128.3668 50.4993 22.9672 175.0518 120 S 5.1288 8.6925 113.9983 57.5603 65.0666 173.1034 121 I 4.4380 8.1081 120.9207 59.2768 40.0104 175.3842 122 S 4.5023 8.3237 123.2214 58.0945 64.2150 173.9417 123 L 4.4016 8.3343 122.7971 53.4521 42.4351 175.3272 124 P 4.5037 0.0000 0.0000 63.0132 32.2748 176.3550 125 T 4.1262 8.2383 109.0742 62.6572 69.8849 174.6598 *127 S 4.8236 7.5593 114.6420 57.9873 64.0479 173.9408 128 C 4.4138 8.3861 117.7840 56.6262 40.6859 173.6135 129 A 4.3953 7.9634 125.0262 51.4938 19.6791 177.7518 130 S 4.2189 8.1058 116.1153 57.7636 64.1119 173.4794 *132 A 4.2529 8.1969 124.1122 53.5957 19.2385 176.9265 133 G 4.0104 8.9527 110.6675 45.4020 0.0000 174.4541 134 T 3.9257 7.5390 116.9893 63.8175 69.3608 173.4340 135 Q 4.5404 8.5951 127.6643 55.8397 30.2130 175.3264 136 C 5.2839 9.1905 122.3103 55.1495 46.4091 172.3277 137 L 5.2268 8.8603 122.8729 53.5379 44.0040 175.1060 138 I 5.2795 9.0800 127.2087 58.8483 40.1607 174.8005 139 S 4.8750 8.5378 118.9804 56.4674 66.5953 173.0805 140 G 3.7971 7.2651 108.4849 46.1716 0.0000 172.7873 141 W 4.8797 8.5852 117.1428 56.3022 29.4643 177.1523 142 G 4.1745 8.2428 109.0473 44.2982 0.0000 173.5316 143 N 3.9099 8.5361 118.2020 54.2726 38.9535 174.7743 144 T 5.0771 8.1594 113.4362 60.6257 69.5957 174.4658 145 K 4.6240 7.8032 121.6360 54.7877 34.6930 176.2624 146 S 4.3780 8.6476 117.0407 59.8265 63.7700 175.1645 147 S 4.5126 8.0523 114.8616 59.5092 64.5623 174.6903 148 G 4.2376 7.6304 113.7779 44.2817 0.0000 172.2621 149 T 4.6650 8.2746 112.6432 59.9445 71.7547 174.6446 150 S 4.3053 9.0500 120.7722 57.7496 65.0588 171.9001 151 Y 4.9403 8.5157 125.6657 55.9415 38.9665 174.4189 152 P 4.6653 0.0000 0.0000 62.5494 32.9477 175.9360 153 D 4.5943 8.7627 118.5213 56.4215 41.4087 177.2060 154 V 5.4475 7.3906 109.7846 58.5198 34.4290 175.7870 155 L 3.2058 8.3111 123.5777 55.0592 42.8792 176.1129 156 K 4.8992 8.1334 124.8726 55.0186 35.1885 174.6053 157 C 5.1986 8.4131 118.9431 55.2828 43.3014 172.9897 158 L 4.9504 8.5368 122.0695 53.8892 45.5971 174.3777 159 K 5.1708 8.9610 125.2888 55.2569 33.7115 175.7918 160 A 4.8813 9.1578 125.4270 49.6942 23.1232 173.5799 161 P 4.9704 0.0000 0.0000 61.8986 33.8694 175.2686 162 I 4.3528 8.3685 122.8992 61.5168 38.0414 175.9508 163 L 4.8113 8.7041 127.4906 53.2933 43.3528 176.9067 164 S 4.3668 8.4204 114.6844 58.1817 63.9045 175.2279 165 D 4.4790 8.6544 121.8851 57.4084 40.5026 179.2437 166 S 4.1643 8.0183 114.7001 61.5428 63.2761 176.6171 167 S 4.1611 7.9327 118.9598 61.1522 62.6067 175.8278 168 C 4.3214 8.2319 121.3558 59.8257 41.7497 175.9341 169 K 3.9759 8.3471 119.9039 59.3318 31.3362 179.6207 170 S 4.2456 7.9617 114.9616 61.2954 62.7718 176.0888 171 A 4.0304 7.7956 122.7272 53.7280 19.7294 177.3480 172 Y 4.8694 7.7483 113.6298 55.2826 38.3132 172.9225 173 P 4.5763 0.0000 0.0000 63.3585 32.2585 177.6928 174 G 4.0112 9.0342 110.4873 45.9423 0.0000 173.6250 175 Q 4.4878 8.1103 116.8289 55.5470 30.1161 175.3875 176 I 4.3755 7.8220 119.7875 59.9970 38.1062 175.5968 177 T 4.5011 8.2355 116.1605 59.8786 70.6671 175.3176 178 S 4.3819 8.5146 114.6685 60.1101 63.2745 174.2446 179 N 4.9965 8.1051 118.9305 53.4100 38.5448 173.8811 180 M 5.5873 7.8422 117.1268 53.8038 36.1747 174.5651 181 F 5.1283 8.7729 115.1025 55.7885 42.1892 172.5611 182 C 5.4334 9.0055 116.4232 55.8658 42.0841 172.6566 183 A 5.0246 9.3780 122.6702 50.8130 22.3801 175.2942 184A G 4.0452 6.9169 107.6582 44.7038 0.0000 173.2805 184 Y 4.5967 8.3508 120.6541 56.1438 41.0642 176.1708 185 L 4.2519 8.6422 125.4721 56.8596 42.0161 178.4855 186 E 4.0541 8.2437 115.2006 56.5544 30.0872 177.3104 187 G 3.8379 7.8383 107.2919 45.4853 0.0000 173.1978 188A G 4.0038 9.5933 106.5040 44.7218 0.0000 173.4077 188 K 4.7915 7.3728 117.5110 55.1395 35.5038 175.0843 189 D 4.7049 8.8270 123.5562 53.6591 45.6162 174.6411 190 S 4.8811 8.7008 116.9361 58.0989 65.2709 172.8522 191 C 4.7671 9.2561 119.0175 55.2071 48.0591 172.3775 192 Q 4.4097 8.5973 118.8770 58.1930 28.1146 177.0536 193 G 4.2454 9.2512 108.7348 46.0261 0.0000 174.2567 194 D 4.6399 8.4098 118.5502 55.8114 41.4988 176.7188 195 S 4.4503 8.1125 115.4458 60.5918 63.3309 175.4380 196 G 3.9481 8.8401 112.7277 46.3663 0.0000 173.7118 197 G 4.4578 7.8164 107.5816 44.6993 0.0000 171.2220 198 P 4.9643 0.0000 0.0000 62.4540 33.3708 175.8062 199 V 4.5962 8.5686 121.3283 61.4363 34.1321 174.0053 200 V 4.8524 8.6130 128.8288 61.3010 33.8945 173.7528 201 C 5.0646 8.8214 124.8129 55.5856 43.8885 174.6146 202 S 3.3071 9.7574 120.5109 59.7599 60.0377 173.3393 203 G 3.9237 8.4294 104.4606 45.6144 0.0000 173.7842 204 K 4.6687 7.5109 118.0625 53.0294 35.1605 175.4838 *209 L 4.3227 8.2807 123.1339 55.4571 42.0695 175.7846 210 Q 4.5087 8.8123 125.7993 56.5377 30.8256 175.7947 211 G 5.3046 8.0271 104.7176 45.7191 0.0000 171.3746 212 I 5.2278 8.2102 119.8138 58.8192 40.9100 175.3262 213 V 3.7683 8.8453 127.2745 64.1462 31.8180 174.2149 214 S 4.7726 8.4697 120.4682 58.7283 64.4209 173.9700 215 W 4.9555 7.1775 114.1502 56.2451 31.6694 172.4211 216 G 3.8892 8.4462 106.7224 46.4225 0.0000 173.2724 217 S 4.6314 8.4652 115.9173 56.9789 62.4201 172.7507 *219 G 4.3313 8.0378 118.6867 45.6654 0.0000 171.1212 220 C 4.9546 8.2090 116.2528 56.6092 44.5093 173.6918 221A A 4.4259 9.1703 125.2635 53.1111 16.6371 177.0355 221 Q 4.4869 7.3844 116.7443 56.4081 29.6826 176.0174 222 K 4.1133 8.4492 122.0557 57.9555 32.7398 176.0287 223 N 4.2586 9.0303 121.5543 54.0678 36.9118 175.3209 224 K 4.1974 7.4665 117.7093 53.6367 32.2498 173.8248 225 P 4.6452 0.0000 0.0000 61.8272 33.2757 176.9487 226 G 3.6176 8.4575 106.0570 46.0811 0.0000 172.8553 227 V 4.4438 7.6459 121.9573 60.6836 34.3323 174.0707 228 Y 4.8305 8.0920 123.9334 55.9644 42.2628 174.9434 229 T 4.3866 8.5054 120.1467 63.6867 69.9713 174.1952 230 K 4.8599 9.2228 128.1101 55.4011 31.5152 177.2419 231 V 3.9890 8.7928 126.6675 65.7659 31.3867 174.9254 232 C 4.3986 8.2871 112.6442 58.0477 41.6009 174.8050 233 N 4.2203 8.0789 117.6070 54.6370 38.5633 175.5248 234 Y 4.7814 7.9724 117.5304 57.4509 38.9349 177.4088 235 V 3.7138 7.8436 121.5027 66.1607 31.6905 177.9813 236 S 4.2038 8.1056 113.5124 60.9129 62.9890 176.1129 237 W 4.1330 8.3081 131.7389 60.2955 30.4889 177.8546 238 I 3.2171 8.2743 119.9876 64.2390 36.5911 178.5852 239 K 3.7695 7.9931 119.1895 59.5780 31.6419 179.5406 240 Q 3.9163 7.8511 117.2369 59.0726 28.7408 178.6348 241 T 3.7253 7.4914 116.8587 66.5174 68.2448 176.9854 242 I 2.6848 7.2713 121.5906 63.8344 36.7088 178.3705 243 A 4.0389 7.6857 120.9632 53.9781 18.2084 178.7056 244 S 4.6368 7.3675 110.5329 58.2721 63.5907 174.0694 245 N 4.6814 7.8911 125.4458 53.8235 39.1873 174.0164 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 16 I 7.88 4.23 1.80 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 1.38 0.68 0.90 0.00 0.00 17 V 8.67 4.32 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 0.92 0.00 0.00 0.96 0.00 0.00 18 G 8.49 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 0.00 0.00 0.00 19 G 7.77 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 0.00 0.00 0.00 0.00 20 Y 7.69 4.97 0.00 2.95 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 21 T 8.57 4.24 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 C 8.67 4.10 0.00 2.76 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 23 G 7.86 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 24 A 8.51 4.26 1.31 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 0.00 0.00 25 N 8.87 4.26 0.00 2.89 2.91 0.00 0.00 7.13 7.54 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 26 T 7.65 4.20 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 1.31 0.00 0.00 27 V 7.07 4.04 1.74 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 0.30 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.51 0.00 2.38 2.28 0.00 3.66 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 2.19 2.00 0.00 29 Y 6.82 4.98 0.00 3.27 3.43 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 30 Q 7.20 4.54 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 1.93 2.46 0.00 31 V 8.79 4.76 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 0.90 0.00 0.00 1.00 0.00 0.00 32 S 8.78 4.84 0.00 3.09 3.30 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 33 L 8.39 4.55 0.00 0.43 0.78 0.78 0.10 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 34 N 8.84 5.75 0.00 2.38 2.44 0.00 0.00 6.78 7.23 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 *37 S 8.38 4.20 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.66 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.54 4.47 0.00 3.03 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 40 H 8.90 4.56 0.00 2.85 3.14 0.00 5.86 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 41 F 7.74 5.05 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 6.86 4.73 0.00 2.36 2.87 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 43 G 8.64 4.19 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 0.00 44 G 7.71 4.50 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 0.00 45 S 8.74 5.50 0.00 3.83 3.84 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 46 L 9.15 4.78 0.00 1.88 1.68 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.62 4.52 1.90 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 1.54 0.97 0.96 0.00 0.00 48 N 7.58 4.82 0.00 3.00 3.01 0.00 0.00 6.02 7.64 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 49 S 8.71 4.35 0.00 4.20 4.20 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 50 Q 8.97 4.54 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 51 W 8.42 5.59 0.00 3.40 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 52 V 9.08 5.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 53 V 8.77 4.86 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 0.95 0.00 0.00 1.02 0.00 0.00 54 S 8.97 5.17 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.51 4.70 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 56 A 8.30 3.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.20 4.55 0.00 3.37 3.53 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.81 4.63 0.00 3.22 3.33 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 59 Y 7.67 4.15 0.00 2.99 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 60 K 7.03 3.72 0.00 1.48 1.33 0.00 0.75 0.00 0.00 1.28 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 0.97 7.81 61 S 8.01 4.29 0.00 3.93 3.84 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 62 G 8.41 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 4.25 1.85 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 1.41 0.70 0.91 0.00 0.00 64 Q 8.81 4.78 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 65 V 8.69 4.28 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 0.96 0.00 0.00 0.88 0.00 0.00 66 R 8.86 5.00 0.00 1.60 1.82 0.00 2.64 0.00 0.00 2.55 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.12 0.00 67 L 8.99 4.71 0.00 1.74 1.64 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.27 3.90 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 0.00 0.00 0.00 70 E 8.20 4.34 0.00 2.16 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 2.36 2.05 0.00 71 D 7.93 4.83 0.00 2.78 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 72 N 8.88 5.08 0.00 2.85 2.83 0.00 0.00 7.17 7.85 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 73 I 8.34 3.95 1.44 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 -0.42 0.00 0.00 74 N 8.51 4.72 0.00 2.85 2.89 0.00 0.00 6.64 8.45 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 75 V 7.31 4.33 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.43 4.03 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 0.82 0.00 0.00 0.95 0.00 0.00 77 E 9.31 4.40 0.00 1.99 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 2.27 2.43 0.00 78 G 8.16 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 0.00 0.00 0.00 0.00 79 N 8.90 4.53 0.00 2.97 3.04 0.00 0.00 6.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.71 4.53 0.00 1.54 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 81 Q 9.03 4.46 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 82 F 8.86 5.53 0.00 2.78 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 83 I 8.76 4.71 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.92 0.00 0.00 84 S 8.71 4.58 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.38 4.49 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 86 S 8.93 4.54 0.00 3.78 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 87 K 7.53 4.64 0.00 1.85 1.90 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.41 7.81 88 S 8.81 5.15 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.08 4.43 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 1.09 0.00 0.00 90 V 8.22 4.12 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 0.64 0.00 0.00 0.68 0.00 0.00 91 H 8.65 3.93 0.00 2.85 2.98 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.34 0.00 2.07 2.13 0.00 3.24 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 2.14 2.22 0.00 93 S 7.92 4.69 0.00 3.92 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 94 Y 8.08 4.34 0.00 3.10 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 95 N 8.16 4.42 0.00 2.56 2.41 0.00 0.00 6.70 7.77 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 96 S 7.86 3.99 0.00 3.96 3.84 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 97 N 8.21 4.39 0.00 2.77 2.79 0.00 0.00 6.87 7.10 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 98 T 7.67 4.05 4.13 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 0.00 0.00 1.11 0.00 0.00 99 L 7.72 3.72 0.00 1.52 1.82 0.56 0.97 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 0.00 100 N 7.73 4.48 0.00 2.80 2.64 0.00 0.00 7.23 6.69 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 0.00 101 N 8.63 4.48 0.00 2.94 2.62 0.00 0.00 7.22 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 0.00 102 D 7.89 4.70 0.00 3.07 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 0.00 103 I 7.19 4.79 1.43 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 1.29 1.12 0.13 0.00 0.00 104 M 9.13 5.38 0.00 2.24 1.83 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 105 L 9.07 5.39 0.00 1.85 1.92 0.30 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.10 5.02 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.88 0.00 0.00 107 K 8.53 3.66 0.00 0.79 1.10 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.68 0.21 7.81 108 L 8.12 4.52 0.00 1.49 1.55 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.81 4.06 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 110 S 7.74 4.70 0.00 3.82 3.67 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 0.00 111 A 8.36 4.43 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 0.00 112 A 8.84 4.19 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 0.00 113 S 8.97 4.44 0.00 3.76 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.47 4.54 0.00 1.66 1.62 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.66 4.81 0.00 2.90 2.93 0.00 0.00 6.65 8.49 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 0.00 116 S 8.78 4.25 0.00 4.01 4.06 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 0.00 117 R 8.31 4.29 0.00 1.93 2.18 0.00 3.21 0.00 0.00 3.16 7.34 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.82 0.00 4.00 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 0.00 128 C 8.39 4.41 0.00 2.94 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 0.00 129 A 7.96 4.40 1.05 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 0.00 0.00 130 S 8.11 4.22 0.00 3.84 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 *132 A 8.20 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.95 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 0.00 134 T 7.54 3.93 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 1.14 0.00 0.00 135 Q 8.60 4.54 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 136 C 9.19 5.28 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.86 5.23 0.00 1.78 1.56 1.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.08 5.28 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.34 1.02 0.00 0.00 139 S 8.54 4.87 0.00 3.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.59 4.88 0.00 3.08 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 0.00 142 G 8.24 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 0.00 0.00 0.00 0.00 143 N 8.54 3.91 0.00 2.38 2.65 0.00 0.00 7.14 7.23 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 0.00 144 T 8.16 5.08 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 1.25 0.00 0.00 145 K 7.80 4.62 0.00 1.90 1.69 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.32 7.81 146 S 8.65 4.38 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.05 4.51 0.00 3.99 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 0.00 148 G 7.63 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 0.00 149 T 8.27 4.66 4.19 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 1.25 0.00 0.00 150 S 9.05 4.31 0.00 3.81 3.65 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 0.00 151 Y 8.52 4.94 0.00 3.00 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 0.00 152 P 0.00 4.67 0.00 2.46 2.11 0.00 4.17 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 2.21 2.06 0.00 153 D 8.76 4.59 0.00 2.80 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 0.00 154 V 7.39 5.45 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 1.11 0.00 0.00 0.97 0.00 0.00 155 L 8.31 3.21 0.00 1.32 1.25 -0.76 0.16 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 0.00 156 K 8.13 4.90 0.00 1.58 1.51 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.48 7.81 157 C 8.41 5.20 0.00 1.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.54 4.95 0.00 1.68 1.44 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.96 5.17 0.00 1.83 1.82 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 160 A 9.16 4.88 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 0.00 161 P 0.00 4.97 0.00 2.03 2.27 0.00 3.13 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 162 I 8.37 4.35 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.75 0.00 0.00 163 L 8.70 4.81 0.00 1.56 1.61 0.93 1.15 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 0.00 164 S 8.42 4.37 0.00 4.00 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 0.00 165 D 8.65 4.48 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.02 4.16 0.00 4.06 4.13 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 0.00 0.00 0.00 167 S 7.93 4.16 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 8.23 4.32 0.00 3.20 3.32 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 0.00 169 K 8.35 3.98 0.00 1.88 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.72 7.81 170 S 7.96 4.25 0.00 4.00 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 0.00 171 A 7.80 4.03 1.05 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 0.00 0.00 172 Y 7.75 4.87 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.58 0.00 2.08 2.05 0.00 3.88 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 174 G 9.03 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 0.00 175 Q 8.11 4.49 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 176 I 7.82 4.38 1.98 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 1.84 0.95 1.00 0.00 0.00 177 T 8.24 4.50 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 1.25 0.00 0.00 178 S 8.51 4.38 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.11 5.00 0.00 3.01 3.09 0.00 0.00 6.64 8.92 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 0.00 180 M 7.84 5.59 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 181 F 8.77 5.13 0.00 3.00 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 0.00 182 C 9.01 5.43 0.00 2.99 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 0.00 183 A 9.38 5.02 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 184A G 6.92 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 0.00 0.00 0.00 184 Y 8.35 4.60 0.00 3.01 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 0.00 185 L 8.64 4.25 0.00 1.73 1.88 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.24 4.05 0.00 2.10 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 2.32 2.27 0.00 187 G 7.84 3.84 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 0.00 0.00 0.00 188A G 9.59 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 0.00 188 K 7.37 4.79 0.00 1.41 1.65 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.20 7.81 189 D 8.83 4.70 0.00 2.85 2.53 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 0.00 190 S 8.70 4.88 0.00 4.10 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 0.00 191 C 9.26 4.77 0.00 2.96 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 0.00 192 Q 8.60 4.41 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.16 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.41 4.64 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.45 0.00 3.97 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 0.00 196 G 8.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.82 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.96 0.00 2.35 2.38 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 199 V 8.57 4.60 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 0.84 0.00 0.00 0.66 0.00 0.00 200 V 8.61 4.85 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 0.93 0.00 0.00 0.68 0.00 0.00 201 C 8.82 5.06 0.00 2.78 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 0.00 202 S 9.76 3.31 0.00 3.95 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 0.00 203 G 8.43 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 0.00 0.00 0.00 0.00 204 K 7.51 4.67 0.00 1.84 1.65 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *209 L 8.28 4.32 0.00 1.51 1.64 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.81 4.51 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.40 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 211 G 8.03 5.30 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 0.00 212 I 8.21 5.23 1.93 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 1.30 0.75 0.99 0.00 0.00 213 V 8.85 3.77 2.30 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 1.03 0.00 0.00 1.21 0.00 0.00 214 S 8.47 4.77 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 0.00 215 W 7.18 4.96 0.00 3.35 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 0.00 216 G 8.45 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 0.00 217 S 8.47 4.63 0.00 4.35 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *219 G 8.04 4.33 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 0.00 220 C 8.21 4.95 0.00 2.95 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 221A A 9.17 4.43 1.38 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 0.00 0.00 0.00 221 Q 7.38 4.49 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 222 K 8.45 4.11 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.57 7.81 223 N 9.03 4.26 0.00 2.81 2.79 0.00 0.00 6.77 7.19 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 0.00 224 K 7.47 4.20 0.00 1.66 1.79 0.00 1.62 0.00 0.00 1.34 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 225 P 0.00 4.65 0.00 2.13 2.11 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 226 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.65 4.44 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 0.47 0.00 0.00 -0.61 0.00 0.00 228 Y 8.09 4.83 0.00 1.43 2.26 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 0.00 229 T 8.51 4.39 4.29 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 1.24 0.00 0.00 230 K 9.22 4.86 0.00 2.15 1.93 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.62 7.81 231 V 8.79 3.99 2.42 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 1.25 0.00 0.00 1.12 0.00 0.00 232 C 8.29 4.40 0.00 3.17 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 0.00 233 N 8.08 4.22 0.00 2.35 2.39 0.00 0.00 6.80 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 7.97 4.78 0.00 3.21 3.20 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 0.00 235 V 7.84 3.71 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 1.11 0.00 0.00 1.05 0.00 0.00 236 S 8.11 4.20 0.00 4.12 4.13 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 0.00 0.00 0.00 237 W 8.31 4.13 0.00 3.51 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.22 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.96 0.77 0.00 0.00 239 K 7.99 3.77 0.00 1.83 1.77 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 240 Q 7.85 3.92 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 241 T 7.49 3.73 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 242 I 7.27 2.68 1.38 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.50 0.34 0.00 0.00 243 A 7.69 4.04 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 0.00 244 S 7.37 4.64 0.00 3.95 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 0.00 245 N 7.89 4.68 0.00 2.99 3.04 0.00 0.00 6.75 8.74 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 * Residues marked with a * may have inaccurate shift predictions.