NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3078 8.4449 121.4837 55.6043 31.6659 175.5605 3 P 4.2822 0.0000 0.0000 61.3597 32.1879 176.4729 4 D 4.6545 9.9293 125.5771 53.1722 39.6994 176.0249 5 L 3.8333 7.7007 124.2578 57.0848 41.7109 178.4968 6 F 4.1912 7.5142 116.4894 60.7038 39.2516 176.4649 7 Y 4.3687 8.2752 118.4817 60.7857 38.4124 178.0032 8 I 3.4048 7.3027 119.1654 64.3742 37.6774 178.0485 9 L 4.2608 8.3447 118.2836 55.8178 41.3423 179.1532 10 G 3.7430 7.6031 105.5160 45.4034 0.0000 172.8057 11 N 4.8494 7.0983 119.7025 51.3179 40.8571 174.7661 12 K 3.7946 8.9215 125.7260 59.8566 32.1338 179.0529 13 V 3.4358 7.6788 117.3555 66.1679 31.5362 177.8946 14 R 3.8113 8.3221 118.1621 59.4521 29.5587 179.0498 15 R 3.8168 8.1065 118.3929 59.3226 29.8371 178.0433 16 D 4.4157 7.9125 119.2814 56.1293 41.2214 178.2175 17 L 4.1600 8.3718 120.0070 57.9720 41.4091 179.5771 18 L 4.2013 8.0862 119.0506 57.6220 41.4633 179.6852 19 S 4.2970 7.8751 113.8655 61.0184 62.9125 176.1901 20 H 3.8587 7.5654 118.5884 58.2274 28.6615 177.4668 21 L 4.1747 8.3120 119.5267 57.2570 41.4957 178.7380 22 T 4.3597 7.4746 106.5015 61.9928 70.7181 174.6020 23 A 5.0229 8.2226 124.3479 50.3658 18.9038 176.8523 24 M 4.3351 7.9392 120.3661 56.9260 33.2325 178.5787 25 E 4.0426 8.3806 118.5513 58.7810 30.0222 178.5234 26 A 4.1265 7.7883 120.5000 53.4639 20.0372 176.4298 27 Y 4.7410 7.8431 112.8175 57.0201 39.1281 175.7206 28 F 4.2738 9.0668 125.8351 59.6983 39.9716 174.7565 29 S 4.8472 7.9886 112.6443 56.4950 65.8710 173.1543 30 L 4.3470 8.2644 118.0594 54.7546 42.2577 176.7808 31 L 4.8556 7.1657 117.1242 52.3551 45.4073 176.3929 32 S 4.4746 9.1038 117.7249 58.3589 63.7824 176.0764 33 S 4.1680 8.8764 120.2752 61.7126 62.9778 177.4096 34 K 3.9287 8.2457 119.2697 59.5134 32.2697 178.7292 35 V 3.8139 6.9132 117.6205 62.6997 28.8340 175.8172 36 S 4.1995 7.6523 114.0958 58.0803 62.0229 173.0038 37 V 4.4002 7.8901 126.8880 59.6632 34.4179 175.7077 38 S 4.1854 8.7959 121.9221 59.1348 64.4969 175.7082 39 S 4.2878 8.6639 118.9368 60.8167 62.7411 176.3798 40 T 4.1142 7.7927 113.4552 64.2820 69.0023 176.6522 41 A 3.9002 7.6686 123.7219 54.7974 18.5524 179.4850 42 V 3.4865 7.7926 116.6388 66.3896 31.3704 178.1102 43 A 3.9782 7.5759 118.8178 54.8947 18.0546 179.6456 44 K 3.8621 7.6483 118.3577 60.0049 32.3499 178.7636 45 H 4.1368 7.9838 116.4971 58.9815 28.7082 177.7853 46 L 3.7398 7.7040 120.2760 57.3670 41.2776 179.5486 47 K 3.9590 7.6171 119.7109 59.4777 31.9135 178.9747 48 I 3.7732 8.0966 120.5485 64.7436 37.0067 178.3730 49 M 4.1146 8.1577 119.5718 58.1496 31.8550 178.4460 50 E 3.9972 8.0319 119.3893 59.1266 29.6423 178.7216 51 R 4.0514 8.5788 118.0509 58.6215 30.1150 177.1080 52 E 4.4680 7.4923 117.5530 55.8946 30.3589 176.1684 53 G 4.1164 7.7748 105.7338 45.5877 0.0000 174.3501 54 V 4.1241 7.9774 120.8612 63.4439 33.4153 175.5858 55 L 5.0258 7.4576 117.8365 53.3483 44.7685 176.0320 56 Q 4.5634 8.8477 117.5441 55.7235 33.0250 174.2306 57 S 4.9542 8.7192 121.1348 57.2429 64.3002 173.1410 *71 Y 4.2318 8.0623 116.4685 58.1927 37.7297 174.1169 72 Y 4.6197 8.4219 122.3885 56.4194 39.8803 175.2900 73 K 4.7995 8.6315 123.6159 54.4400 36.1589 175.2308 74 I 4.4109 8.5256 127.0996 61.1783 37.6209 175.8448 75 S 4.9378 9.7211 122.3155 57.9036 63.6095 173.5970 76 I 4.7537 7.6988 111.8374 59.8914 41.1839 175.0053 77 A 4.6810 8.4895 123.7035 49.7409 19.4610 174.6594 78 K 5.1157 8.3666 118.2641 54.5287 36.4476 175.4331 79 S 4.9714 8.8299 117.8888 57.1321 66.2254 172.9483 80 Y 5.1073 8.7153 119.5908 55.5743 41.7124 175.0529 81 V 4.5031 8.1027 119.0783 61.7536 34.9487 173.0662 82 F 5.0853 7.9716 121.0840 55.8943 41.3457 173.5473 83 T 4.7714 8.8627 115.6248 61.9284 72.7208 173.0237 84 L 5.2214 8.9851 127.2164 53.6981 44.2577 175.1089 85 T 4.8533 9.0679 115.9539 58.6707 71.8985 173.5562 86 P 4.3902 0.0000 0.0000 64.8352 31.3323 177.2330 87 E 4.6211 7.8392 115.8200 56.4787 30.7422 175.8946 88 M 4.9503 8.1537 118.8571 53.7578 36.2636 173.6766 89 F 6.1764 9.0885 124.8485 56.1910 42.3175 173.2552 90 W 5.0056 8.4451 122.1064 55.4484 31.4304 172.9621 91 Y 4.9780 7.5892 117.9400 55.5314 40.9173 174.2432 92 K 4.4414 8.9571 122.2281 55.0401 35.8155 174.8833 93 G 2.8469 8.4012 115.0375 44.5650 0.0000 172.5203 94 L 4.8674 8.8883 125.4585 52.9282 44.5727 175.4381 95 D 4.9397 8.6492 122.9062 53.9961 42.0248 176.2738 96 L 4.6148 7.7367 123.0458 53.8297 44.7073 174.9529 97 G 4.0138 8.6888 111.5272 46.0641 0.0000 176.7991 98 D 4.5133 9.2919 128.7077 53.0778 40.3303 175.0027 99 A 4.6707 8.1694 126.5194 49.7924 21.1175 175.5115 100 E 4.0912 8.7981 123.4461 56.0613 30.0212 177.3852 101 L 4.1155 8.4971 123.9082 55.1235 40.2376 176.2365 102 R 4.5187 8.1025 122.3762 54.2172 33.0179 175.0208 103 D 4.9634 7.9459 117.6122 52.6452 43.1089 176.0976 104 F 4.8224 8.5985 120.3420 55.6318 41.9464 174.3463 105 E 4.5584 8.9263 124.4133 54.6930 30.9862 175.8039 106 I 4.2867 8.3011 125.4834 59.8646 37.0031 175.1728 107 S 4.5859 9.1347 122.9852 57.2764 62.5075 174.4742 108 L 4.7368 8.2095 123.3909 54.0307 43.2214 177.8000 109 S 4.2152 8.4613 116.0734 62.6726 62.7093 174.3628 110 G 3.4964 7.2517 109.6527 45.2581 0.0000 173.4184 111 L 4.7207 7.1828 119.7142 52.9477 45.7300 175.3234 112 D 4.6655 8.5233 121.7951 53.3689 40.4453 176.4794 113 T 4.3519 8.3490 116.7728 64.2284 69.5035 175.1561 114 E 4.6203 7.3029 120.2903 53.5977 29.3959 173.3064 115 P 4.7889 0.0000 0.0000 61.9894 33.2084 176.6849 116 S 4.5080 8.5641 114.2385 60.3046 64.5840 175.2960 117 T 4.3114 7.4638 115.4719 60.3182 69.4339 174.8463 118 L 3.9718 8.3726 127.7110 58.3214 42.2381 179.6049 119 K 4.0252 7.9939 117.9973 59.2966 31.8767 178.7829 120 E 4.0081 8.2604 119.7908 59.3381 29.5999 178.7790 121 M 4.1359 8.1501 119.0238 58.3934 32.0217 178.7918 122 I 3.8523 7.6984 119.7298 64.3823 37.1760 178.4452 123 T 3.8884 7.8995 116.7745 66.9409 68.2029 176.3001 124 D 4.3940 7.9913 120.6528 57.1135 40.8093 178.6438 125 F 3.8467 8.2407 121.1422 61.3809 39.4573 177.4002 126 I 3.8464 7.9455 119.4408 64.1681 36.7698 178.6100 127 K 4.0023 7.9993 119.0410 59.0604 31.7453 179.3511 128 A 3.9562 8.1176 121.5814 55.1673 18.4099 179.2206 129 N 4.0368 8.3977 115.3275 56.6104 38.1492 177.7824 130 K 4.0369 8.1664 119.6709 59.3070 32.0663 179.3359 131 E 4.0526 7.7229 117.7464 59.0408 29.3888 178.9481 132 L 3.9147 8.0478 120.6000 58.0648 42.1304 178.6337 133 E 3.9352 8.0038 118.3420 59.8142 29.3762 179.0861 134 K 3.8308 7.6842 116.7095 59.6188 32.0598 179.0023 135 V 3.4475 7.9774 117.8768 66.5103 31.4648 178.3822 136 L 4.0661 8.4619 118.4911 57.8722 41.4259 179.4332 137 E 3.9511 8.0500 118.4161 58.8443 29.3767 179.1269 138 A 3.3917 7.3168 121.0841 54.8158 18.3718 179.1264 139 F 4.2213 8.2680 119.4878 61.6283 39.4389 177.1924 140 K 3.6377 7.9990 118.8869 59.7128 31.8438 178.6221 141 T 3.8628 7.9135 115.8167 66.7898 68.4639 176.2597 142 I 3.7272 8.2877 121.7453 64.7686 37.2201 178.3885 143 E 3.8394 8.1442 119.0562 59.3552 29.2756 179.3214 144 S 4.0617 7.9534 115.1756 61.8767 62.9561 176.0249 145 Y 4.0196 8.2328 121.9774 60.9582 38.4639 178.3576 146 R 3.8761 8.6805 119.0146 59.3360 30.3505 178.9580 147 S 4.0342 8.4413 113.0664 61.4918 62.4758 176.0896 148 S 4.0377 7.8182 117.6495 61.8448 62.5921 176.6760 149 L 3.8224 7.7188 122.5489 58.0836 41.6538 178.7262 150 M 3.9799 8.1610 118.7339 58.4585 32.3192 178.0436 151 R 3.8397 7.7727 118.3323 59.3982 30.2698 178.4311 152 K 3.8927 7.8341 117.8711 59.7351 32.0186 179.1177 153 I 3.7484 8.0497 120.2138 64.6144 37.0353 178.3495 154 K 3.9625 8.0910 119.0451 59.3875 31.6946 178.7445 155 E 3.8914 7.9042 117.5367 59.8741 29.8738 179.2117 156 A 4.1142 8.0479 120.1650 55.4393 18.4218 179.0444 157 Y 3.7044 8.3406 118.1405 60.7441 38.7625 177.7888 158 L 4.3221 7.8709 116.8685 55.7473 41.9664 177.8627 159 K 4.4342 7.5223 118.6243 56.2716 32.4694 175.8502 160 E 4.4645 7.7253 114.5319 57.5158 33.2261 176.0166 161 I 4.0935 6.8008 108.0354 58.6974 38.8819 176.5432 162 G 3.8305 7.8942 108.3243 45.9519 0.0000 172.9879 163 D 4.6095 7.6553 120.7189 52.7466 41.0604 176.2639 164 M 4.2194 8.4258 127.1683 56.1518 33.2400 176.1225 165 T 3.4983 8.3907 117.4832 64.4701 67.9959 174.2348 166 Q 4.0089 7.9026 119.0728 58.9178 28.6960 178.5542 167 L 3.1214 7.3890 120.6181 57.6720 42.0616 178.8350 168 A 3.6253 7.5909 120.2226 55.0088 18.2603 179.4713 169 I 3.6564 8.0214 118.5831 64.5218 37.3388 178.4215 170 L 3.9408 7.8138 121.1011 58.2653 41.5976 178.5462 171 H 4.1137 8.6343 118.5498 59.4904 29.8835 176.7295 172 Y 4.0176 8.2237 121.3726 60.6459 38.5726 177.8189 173 L 4.0687 8.1270 120.1089 57.6048 41.4956 179.3878 174 L 3.9668 7.5820 117.8525 57.7410 41.6181 179.1457 175 L 4.2203 7.3802 117.7188 56.4233 41.6777 177.5216 176 N 4.7356 7.4262 113.1983 52.2830 39.8917 174.9211 177 G 4.2909 9.1784 113.8311 45.6919 0.0000 174.3931 178 R 5.0295 7.3430 113.2113 54.7808 32.8620 173.5710 179 A 4.9423 8.6700 119.5572 51.1437 23.1486 176.2383 180 T 4.4771 9.8832 112.8795 61.4975 70.2288 175.7906 181 V 3.5423 9.0615 123.6649 66.4995 31.4355 177.9799 182 E 3.9124 8.2413 118.1231 59.5332 29.4939 178.5585 183 E 3.9225 7.9111 117.8282 59.3579 29.5333 179.4116 184 L 3.8371 8.0121 119.0311 57.8463 41.5788 179.3640 185 S 4.0944 8.4582 113.5058 61.3640 62.1178 175.7932 186 D 4.3347 8.0882 120.8576 57.3467 40.9239 178.1906 187 R 4.1049 7.6143 113.4101 57.7774 29.9293 177.4295 188 L 4.5332 7.8913 118.3015 54.0238 42.2000 175.9837 189 N 4.5741 8.0126 114.0064 53.1896 36.2470 173.6857 190 L 4.7980 7.2291 115.9402 52.4097 44.6372 177.6123 191 K 4.1754 8.2311 120.0957 56.4434 33.9676 178.3237 192 E 3.9847 8.6709 121.4206 59.5564 29.3629 179.6974 193 R 3.8556 7.9493 118.3732 59.2547 30.0958 177.9777 194 E 3.8888 8.1059 118.6331 59.2870 29.7205 178.7293 195 V 3.5767 7.7300 118.1972 66.1936 31.6588 178.1611 196 R 4.0129 8.3811 120.3604 59.7644 29.8554 179.5388 197 E 3.9890 8.5114 118.3881 61.2667 29.8046 181.4407 198 K 4.2463 8.3716 120.1881 59.3155 32.0349 179.6066 199 I 3.8414 7.9018 120.2469 64.1575 36.7439 178.5472 200 S 4.0844 7.7258 114.8225 61.8222 61.6655 176.1549 201 E 4.0944 8.2061 121.1253 59.7735 29.1466 179.2793 202 M 4.5530 8.2994 117.9992 58.5215 31.6250 177.8386 203 A 4.1829 7.9931 121.3325 55.2490 18.2746 178.9753 204 R 3.9402 6.9740 110.6966 56.9116 29.6132 176.9494 205 F 5.0023 8.1618 118.5666 58.3959 41.4870 176.2621 206 V 4.5870 7.4272 119.3425 59.3444 34.5206 174.2519 207 P 4.6862 0.0000 0.0000 63.3134 28.4761 175.3836 208 V 4.4649 7.7022 125.9993 63.2894 33.4736 174.9771 209 K 4.6781 9.1587 126.7139 54.9879 35.8239 174.6215 210 I 4.7602 8.5094 121.8066 59.8648 39.0928 174.8522 211 I 4.3681 8.8853 121.1416 59.4053 40.4593 175.6265 212 N 3.9969 8.8868 122.0661 55.3640 36.1267 173.9478 213 D 4.5955 8.4424 113.6726 54.4688 38.8535 173.9105 214 N 4.9749 7.8089 113.5871 53.4886 44.6497 174.1866 215 T 4.7670 8.0345 117.6256 61.8438 70.5335 173.8567 216 V 4.6530 8.9934 128.4573 61.9405 33.0930 175.2800 217 V 4.8497 8.8127 126.2878 60.3933 35.2411 173.8848 218 L 4.7950 8.4294 120.9915 54.0315 43.6358 176.6949 219 D 4.7367 8.7056 122.6199 52.8720 40.5596 176.6803 220 E 4.0716 8.6939 125.0648 58.9406 29.4191 178.7880 221 D 4.3615 8.1671 121.3601 58.2015 41.1706 178.8012 222 Q 4.1822 9.0691 120.3553 60.3022 28.0996 180.3855 223 I 4.1244 7.6374 120.1658 63.8465 37.2475 176.6934 224 L 4.3902 7.9331 123.5513 54.8580 41.8034 176.3810 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 2 E 8.44 4.31 0.00 1.96 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 0.00 2.22 2.43 0.00 3 P 0.00 4.28 0.00 2.17 1.99 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 4 D 9.93 4.65 0.00 2.82 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 5 L 7.70 3.83 0.00 0.83 1.15 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.51 4.19 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.28 4.37 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.30 3.40 1.89 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 1.76 0.88 0.81 0.00 0.00 9 L 8.34 4.26 0.00 1.61 1.67 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.60 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 0.00 0.00 0.00 11 N 7.10 4.85 0.00 2.71 2.48 0.00 0.00 6.98 6.85 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 12 K 8.92 3.79 0.00 1.79 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 V 7.68 3.44 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 0.80 0.00 0.00 0.88 0.00 0.00 14 R 8.32 3.81 0.00 1.92 1.84 0.00 3.18 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 15 R 8.11 3.82 0.00 1.99 1.97 0.00 3.08 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 16 D 7.91 4.42 0.00 2.93 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 17 L 8.37 4.16 0.00 1.79 1.62 0.81 0.47 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 18 L 8.09 4.20 0.00 1.65 1.70 0.86 0.75 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 19 S 7.88 4.30 0.00 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 0.00 20 H 7.57 3.86 0.00 3.36 3.20 0.00 5.82 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 21 L 8.31 4.17 0.00 1.65 1.78 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.47 4.36 4.31 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 1.30 0.00 0.00 23 A 8.22 5.02 1.13 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 0.00 0.00 24 M 7.94 4.34 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 25 E 8.38 4.04 0.00 2.04 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 2.39 2.37 0.00 26 A 7.79 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.84 4.74 0.00 3.13 3.14 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 28 F 9.07 4.27 0.00 3.05 3.14 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 29 S 7.99 4.85 0.00 3.97 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 30 L 8.26 4.35 0.00 1.56 1.66 0.89 0.88 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 31 L 7.17 4.86 0.00 1.49 1.44 0.87 0.86 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 32 S 9.10 4.47 0.00 3.82 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 33 S 8.88 4.17 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 34 K 8.25 3.93 0.00 1.80 1.86 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 35 V 6.91 3.81 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 0.68 0.00 0.00 0.91 0.00 0.00 36 S 7.65 4.20 0.00 3.86 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 37 V 7.89 4.40 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 0.92 0.00 0.00 0.92 0.00 0.00 38 S 8.80 4.19 0.00 4.07 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 39 S 8.66 4.29 0.00 4.05 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 40 T 7.79 4.11 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 1.20 0.00 0.00 41 A 7.67 3.90 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 42 V 7.79 3.49 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 0.95 0.00 0.00 0.96 0.00 0.00 43 A 7.58 3.98 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 44 K 7.65 3.86 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 45 H 7.98 4.14 0.00 3.29 3.22 0.00 5.68 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 46 L 7.70 3.74 0.00 1.63 1.01 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.62 3.96 0.00 2.03 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 48 I 8.10 3.77 1.98 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 1.57 0.80 0.97 0.00 0.00 49 M 8.16 4.11 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 50 E 8.03 4.00 0.00 2.26 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 2.37 2.39 0.00 51 R 8.58 4.05 0.00 2.02 2.10 0.00 3.37 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 52 E 7.49 4.47 0.00 2.10 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 2.32 2.39 0.00 53 G 7.77 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.98 4.12 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 0.93 0.00 0.00 0.92 0.00 0.00 55 L 7.46 5.03 0.00 1.58 1.70 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.85 4.56 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 57 S 8.72 4.95 0.00 3.80 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 *71 Y 8.06 4.23 0.00 2.97 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 72 Y 8.42 4.62 0.00 2.97 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 73 K 8.63 4.80 0.00 1.92 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.25 7.81 74 I 8.53 4.41 1.90 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 1.41 0.54 0.98 0.00 0.00 75 S 9.72 4.94 0.00 3.70 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 76 I 7.70 4.75 1.90 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 1.29 0.74 0.96 0.00 0.00 77 A 8.49 4.68 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 78 K 8.37 5.12 0.00 1.70 1.86 0.00 1.82 0.00 0.00 1.96 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.48 7.81 79 S 8.83 4.97 0.00 3.62 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.72 5.11 0.00 2.72 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.10 4.50 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 0.59 0.00 0.00 0.72 0.00 0.00 82 F 7.97 5.09 0.00 3.08 3.13 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 83 T 8.86 4.77 4.56 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 1.42 0.00 0.00 84 L 8.99 5.22 0.00 1.87 1.72 0.83 0.84 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 85 T 9.07 4.85 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 1.32 0.00 0.00 86 P 0.00 4.39 0.00 2.10 2.19 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 87 E 7.84 4.62 0.00 1.96 2.02 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 2.31 2.45 0.00 88 M 8.15 4.95 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 89 F 9.09 6.18 0.00 3.01 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 90 W 8.45 5.01 0.00 3.36 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 91 Y 7.59 4.98 0.00 3.24 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 92 K 8.96 4.44 0.00 2.08 1.56 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 93 G 8.40 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 0.00 0.00 0.00 94 L 8.89 4.87 0.00 1.50 1.51 1.05 1.12 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 95 D 8.65 4.94 0.00 2.55 2.59 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 96 L 7.74 4.61 0.00 1.56 1.58 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.69 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 98 D 9.29 4.51 0.00 2.67 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 99 A 8.17 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.80 4.09 0.00 1.97 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 2.33 2.41 0.00 101 L 8.50 4.12 0.00 1.62 1.62 0.87 0.88 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 0.00 102 R 8.10 4.52 0.00 1.40 1.43 0.00 3.04 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 103 D 7.95 4.96 0.00 2.49 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 0.00 104 F 8.60 4.82 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.93 4.56 0.00 1.95 1.88 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 2.22 2.24 0.00 106 I 8.30 4.29 1.88 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 1.45 0.84 0.90 0.00 0.00 107 S 9.13 4.59 0.00 3.83 3.83 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 0.00 108 L 8.21 4.74 0.00 1.57 1.61 0.90 0.91 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 0.00 109 S 8.46 4.22 0.00 3.85 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 0.00 110 G 7.25 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 0.00 0.00 0.00 111 L 7.18 4.72 0.00 1.57 1.50 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.52 4.67 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 113 T 8.35 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 114 E 7.30 4.62 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 115 P 0.00 4.79 0.00 2.17 2.18 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.24 0.00 116 S 8.56 4.51 0.00 3.95 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 0.00 117 T 7.46 4.31 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 1.25 0.00 0.00 118 L 8.37 3.97 0.00 1.78 1.64 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.99 4.03 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 120 E 8.26 4.01 0.00 2.05 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 2.31 2.35 0.00 121 M 8.15 4.14 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 122 I 7.70 3.85 1.87 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 1.46 0.80 0.90 0.00 0.00 123 T 7.90 3.89 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 1.22 0.00 0.00 124 D 7.99 4.39 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.24 3.85 0.00 3.31 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 0.00 126 I 7.95 3.85 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.93 0.92 0.00 0.00 127 K 8.00 4.00 0.00 2.10 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 128 A 8.12 3.96 1.06 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 0.00 0.00 129 N 8.40 4.04 0.00 2.88 2.81 0.00 0.00 7.08 7.32 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 0.00 130 K 8.17 4.04 0.00 2.03 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 131 E 7.72 4.05 0.00 2.14 1.96 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 2.53 2.52 0.00 132 L 8.05 3.91 0.00 1.78 1.75 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.00 3.94 0.00 2.26 2.02 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 2.34 2.36 0.00 134 K 7.68 3.83 0.00 2.05 1.94 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.67 7.81 135 V 7.98 3.45 2.20 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 1.06 0.00 0.00 0.93 0.00 0.00 136 L 8.46 4.07 0.00 1.89 1.76 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.05 3.95 0.00 2.04 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 2.35 2.58 0.00 138 A 7.32 3.39 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.27 4.22 0.00 3.06 3.23 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 0.00 140 K 8.00 3.64 0.00 1.92 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.36 7.81 141 T 7.91 3.86 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 1.30 0.00 0.00 142 I 8.29 3.73 2.00 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 1.72 0.97 0.97 0.00 0.00 143 E 8.14 3.84 0.00 1.63 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 0.00 1.54 1.75 0.00 144 S 7.95 4.06 0.00 4.14 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 0.00 145 Y 8.23 4.02 0.00 3.06 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 0.00 146 R 8.68 3.88 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 147 S 8.44 4.03 0.00 3.86 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 0.00 148 S 7.82 4.04 0.00 3.93 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 0.00 149 L 7.72 3.82 0.00 1.22 1.54 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 150 M 8.16 3.98 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 151 R 7.77 3.84 0.00 1.94 2.09 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 152 K 7.83 3.89 0.00 2.01 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.60 7.81 153 I 8.05 3.75 2.04 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 1.55 0.80 0.95 0.00 0.00 154 K 8.09 3.96 0.00 2.04 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 155 E 7.90 3.89 0.00 2.23 2.04 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 2.36 2.23 0.00 156 A 8.05 4.11 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 0.00 157 Y 8.34 3.70 0.00 3.24 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 0.00 158 L 7.87 4.32 0.00 1.71 1.71 0.93 0.95 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 0.00 159 K 7.52 4.43 0.00 1.82 1.95 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 160 E 7.73 4.46 0.00 1.70 1.69 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 2.11 2.39 0.00 161 I 6.80 4.09 1.12 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.28 -0.33 0.00 0.00 162 G 7.89 3.83 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 0.00 0.00 0.00 163 D 7.66 4.61 0.00 2.73 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 0.00 164 M 8.43 4.22 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 165 T 8.39 3.50 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 0.00 166 Q 7.90 4.01 0.00 2.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 167 L 7.39 3.12 0.00 1.25 1.42 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.59 3.63 0.71 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 0.00 0.00 169 I 8.02 3.66 1.98 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 1.40 0.64 0.93 0.00 0.00 170 L 7.81 3.94 0.00 1.68 1.59 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 171 H 8.63 4.11 0.00 3.20 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.22 4.02 0.00 3.31 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 0.00 173 L 8.13 4.07 0.00 1.78 1.72 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.58 3.97 0.00 1.75 1.70 0.92 0.84 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 0.00 175 L 7.38 4.22 0.00 1.38 1.56 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 176 N 7.43 4.74 0.00 2.03 2.47 0.00 0.00 7.04 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 0.00 177 G 9.18 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 0.00 0.00 0.00 0.00 178 R 7.34 5.03 0.00 1.81 1.88 0.00 3.09 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 179 A 8.67 4.94 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 0.00 180 T 9.88 4.48 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 1.25 0.00 0.00 181 V 9.06 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 182 E 8.24 3.91 0.00 2.07 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 2.38 2.41 0.00 183 E 7.91 3.92 0.00 2.18 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 2.33 2.36 0.00 184 L 8.01 3.84 0.00 1.82 1.68 0.93 0.52 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 0.00 185 S 8.46 4.09 0.00 3.83 4.10 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 0.00 186 D 8.09 4.33 0.00 2.94 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 0.00 187 R 7.61 4.10 0.00 1.93 1.94 0.00 2.35 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 188 L 7.89 4.53 0.00 1.74 1.80 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 189 N 8.01 4.57 0.00 2.87 2.90 0.00 0.00 7.13 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 0.00 190 L 7.23 4.80 0.00 1.56 1.54 0.91 0.77 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 0.00 191 K 8.23 4.18 0.00 1.88 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.10 7.81 192 E 8.67 3.98 0.00 2.00 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 2.39 2.36 0.00 193 R 7.95 3.86 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 194 E 8.11 3.89 0.00 2.10 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 0.00 2.35 2.42 0.00 195 V 7.73 3.58 2.22 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 0.98 0.00 0.00 0.95 0.00 0.00 196 R 8.38 4.01 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 197 E 8.51 3.99 0.00 1.95 1.96 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 2.24 2.23 0.00 198 K 8.37 4.25 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.64 7.81 199 I 7.90 3.84 2.02 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 1.54 0.77 0.93 0.00 0.00 200 S 7.73 4.08 0.00 4.06 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 0.00 201 E 8.21 4.09 0.00 2.10 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 2.38 2.35 0.00 202 M 8.30 4.55 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.70 0.00 203 A 7.99 4.18 1.40 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 0.00 204 R 6.97 3.94 0.00 1.71 1.83 0.00 2.81 0.00 0.00 3.03 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.00 205 F 8.16 5.00 0.00 3.20 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 0.00 206 V 7.43 4.59 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 0.88 0.00 0.00 1.02 0.00 0.00 207 P 0.00 4.69 0.00 2.16 2.28 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 208 V 7.70 4.46 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 0.79 0.00 0.00 0.98 0.00 0.00 209 K 9.16 4.68 0.00 1.80 1.71 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 210 I 8.51 4.76 1.88 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 1.41 1.03 0.92 0.00 0.00 211 I 8.89 4.37 1.88 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 1.37 0.72 0.92 0.00 0.00 212 N 8.89 4.00 0.00 3.01 2.93 0.00 0.00 7.40 8.08 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 0.00 213 D 8.44 4.60 0.00 2.74 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 0.00 214 N 7.81 4.97 0.00 2.82 3.00 0.00 0.00 6.94 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 0.00 215 T 8.03 4.77 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 0.00 216 V 8.99 4.65 2.20 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 1.00 0.00 0.00 0.97 0.00 0.00 217 V 8.81 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 218 L 8.43 4.79 0.00 1.57 1.65 0.94 1.03 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 0.00 219 D 8.71 4.74 0.00 2.75 2.59 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 0.00 220 E 8.69 4.07 0.00 2.29 2.21 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 2.37 2.47 0.00 221 D 8.17 4.36 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 Q 9.07 4.18 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 223 I 7.64 4.12 1.90 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 1.56 1.08 0.94 0.00 0.00 224 L 7.93 4.39 0.00 1.66 1.58 0.97 0.82 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 * Residues marked with a * may have inaccurate shift predictions.