NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3716 8.3044 120.3185 54.9550 34.2556 175.6147 2 I 3.6747 7.5408 118.3900 60.5381 38.6866 173.0440 3 H 5.0427 8.3708 121.6410 53.2970 33.0824 172.9980 4 L 4.0415 8.4442 124.4632 55.9487 42.4803 176.0733 5 T 4.3913 7.8673 116.8498 61.3777 69.9699 172.1608 6 S 4.7213 8.3454 120.4050 55.9457 65.1606 174.0099 7 V 3.6951 8.3401 123.8658 63.1224 31.6143 174.5730 8 E 4.6570 8.3354 126.8449 55.3223 33.0172 174.0398 9 A 4.7570 8.3207 119.2853 50.9711 22.7636 176.0412 10 S 4.7692 8.3797 113.9143 56.4621 65.8490 173.1517 11 V 5.0486 8.3921 123.0426 61.4800 33.6637 174.3774 12 S 4.7660 8.9835 120.0412 57.6011 66.8451 172.4157 13 F 5.2459 8.6663 122.6388 56.8263 41.1706 174.9661 14 E 4.2306 8.5209 124.2053 56.8709 34.2441 174.9698 15 N 3.8691 9.5732 122.4810 55.0135 36.9870 173.4529 16 G 4.0740 7.2842 100.9955 46.1384 0.0000 172.0381 17 K 4.5165 6.9015 117.4353 54.0360 36.1348 175.5609 18 I 4.5561 8.2730 123.3997 60.9469 38.6714 174.7962 19 V 4.8437 9.5136 128.1262 61.0124 34.3717 174.2964 20 V 4.9925 8.9282 126.9811 61.2099 34.4554 174.0635 21 R 5.0569 8.5713 126.5031 54.4698 32.6903 175.0955 22 L 4.6753 8.7538 123.4453 52.0389 45.6009 173.8907 23 P 5.0425 0.0000 0.0000 61.3320 32.0389 176.7167 24 I 4.6298 7.8256 121.1704 59.6128 37.3985 176.4056 25 T 5.1173 7.5010 104.8085 62.8375 71.6596 173.6470 26 R 4.6437 7.5796 122.2274 53.6638 29.5196 172.8781 27 P 4.4618 0.0000 0.0000 63.1862 29.2950 176.3492 28 T 4.4996 8.1684 120.6838 61.7150 70.2883 176.3504 29 S 4.2892 8.4562 116.7496 60.3212 63.6921 174.9260 30 K 4.3385 7.8586 120.6414 56.6830 32.7105 175.0333 31 I 5.1824 6.8024 116.2246 61.8506 42.2327 173.5383 32 R 4.3921 7.7354 119.9403 56.2960 32.0075 172.7124 33 V 5.1723 7.7142 118.8437 61.4315 34.6848 174.1084 34 K 5.1048 9.5091 124.4427 56.0236 36.2712 174.4260 35 K 4.7372 8.9294 121.1696 55.2941 35.5507 175.7132 36 I 4.3700 8.2390 123.7368 60.5349 36.1104 173.9683 37 E 4.1082 8.4489 127.0440 56.5788 30.9649 176.2874 38 N 4.1387 9.7370 123.7998 54.7851 36.1506 174.5373 39 G 4.0267 7.9635 101.5216 46.2898 0.0000 172.9953 40 V 3.9604 8.4466 124.0849 62.3052 29.2902 179.1055 41 G 4.6446 8.3860 103.2940 46.2961 0.0000 170.6671 42 I 4.4866 8.5777 127.9774 59.6648 39.0229 173.3409 43 P 4.7447 0.0000 0.0000 62.8131 31.9621 175.7165 44 V 4.5214 8.4426 122.7901 61.2224 34.6858 175.1324 45 S 4.7590 8.5351 121.2153 56.6973 62.9629 174.6167 46 T 3.9053 8.7355 118.4512 63.5037 68.9056 175.8407 47 R 4.1379 7.7475 119.6488 57.9999 31.6504 177.6658 48 K 4.1033 7.9548 115.3074 59.1145 32.9355 179.4379 49 K 4.1682 8.0593 120.7070 56.4490 31.4571 177.4643 50 S 5.3120 7.8593 120.4400 57.8963 64.1767 177.7726 51 F 4.5106 7.0307 125.3255 56.7552 40.2981 173.3533 52 P 4.5014 0.0000 0.0000 62.7010 32.7537 176.7586 53 S 4.4521 8.3774 115.8848 58.6069 62.9373 173.9450 54 D 4.8190 8.2547 120.5142 53.9822 41.2807 174.5949 55 E 5.7354 8.4097 132.2303 57.2290 30.1258 176.1055 56 N 5.1457 7.8118 115.6637 55.0243 45.7800 177.7273 57 L 3.6119 7.5381 120.1820 57.8275 43.3813 178.4898 58 R 3.8816 7.9551 117.0810 58.1039 30.4133 176.0297 59 D 4.8922 9.6030 117.4647 53.4138 40.0234 174.6235 60 Y 4.7842 7.2268 118.0812 57.1913 40.4370 174.5732 61 Y 5.2716 9.6362 121.8420 56.2781 42.8061 174.4127 62 I 4.6686 8.9317 123.5077 59.6717 39.7031 174.2291 63 E 4.5735 9.5265 132.7615 55.1628 30.8538 174.8479 64 W 4.9242 8.4475 135.0000 55.5174 32.7560 174.8717 65 Q 3.8122 8.2939 129.8077 56.1590 26.2649 175.4077 66 I 3.6446 7.5331 123.6848 60.3306 39.3957 174.0906 67 S 5.0426 8.0096 118.6127 57.1661 67.8237 173.9319 68 Y 4.5620 7.3904 114.6269 56.1678 38.8371 174.7708 69 A 4.4436 6.7942 120.4539 51.3317 21.5621 175.4839 70 R 4.1365 7.9395 120.5438 56.0173 32.6953 175.7961 71 D 4.2811 9.4400 124.2662 55.1607 38.3434 172.3093 72 G 4.3939 8.4075 112.8975 45.4666 0.0000 172.9239 73 K 4.9789 7.6096 117.8730 54.2672 35.3625 175.7362 74 Y 4.6481 8.6478 119.1441 56.2202 36.0008 176.1273 75 D 4.6167 7.6666 127.3273 52.7956 42.0985 174.1290 76 Y 4.9779 8.1206 119.3132 56.5031 43.0779 175.5999 77 E 3.7278 9.3382 126.3321 57.1095 29.2380 176.2870 78 L 3.9847 5.7914 129.4372 59.1555 42.4380 176.9628 79 S 4.2168 7.7963 114.2134 61.0589 62.8286 176.4763 80 R 4.3311 8.1885 123.4573 59.0389 29.9771 178.1894 81 M 4.1721 8.5132 117.2998 58.4268 31.0998 178.4398 82 V 3.7198 8.6013 119.9637 65.6981 31.7213 177.9991 83 R 4.0361 8.6525 116.0201 59.4356 29.1877 178.5047 84 L 4.1815 8.4362 119.9677 57.5509 41.6808 179.2255 85 A 4.1623 8.7852 120.8624 55.7847 18.0466 179.2164 86 H 4.8663 8.3862 117.2842 58.7296 30.0362 176.5836 87 E 3.9102 8.8223 121.5818 57.6030 29.6842 177.7283 88 H 4.7473 8.2911 110.4757 55.8769 28.3174 175.5128 89 G 3.8864 9.3695 116.4899 48.1056 0.0000 177.1132 90 I 2.5395 7.0039 114.4469 57.7232 39.4777 175.7589 91 L 4.4025 5.7776 135.0000 55.1181 42.6797 176.8091 92 T 4.6689 8.8835 117.2774 60.9493 70.2412 174.8075 93 Y 4.0631 8.9910 121.0919 61.0974 38.6784 177.1549 94 N 4.5496 8.6737 117.3407 57.2304 38.6782 176.3416 95 D 4.4044 7.7143 119.5391 57.1378 41.1192 178.5466 96 I 3.8370 8.2326 120.7315 64.2272 37.2302 177.3067 97 Y 3.9921 7.7703 119.8405 61.1626 38.4050 177.9578 98 E 3.9513 8.5008 119.0884 59.6345 29.5319 179.6794 99 L 4.0509 7.9398 118.9643 57.5159 41.7147 179.3712 100 L 3.9523 7.7126 118.9914 57.6021 41.5545 179.3167 101 K 3.6783 7.7410 117.9673 59.5874 31.8509 178.4218 102 F 4.0330 7.9393 120.0815 61.6485 39.0366 177.1701 103 A 3.9251 7.9254 118.3927 55.0908 18.1549 179.0574 104 D 4.3984 7.7910 116.9757 57.6036 41.0138 178.2563 105 D 4.3836 7.5712 117.0303 55.0625 41.3169 177.0877 106 V 3.5513 6.4834 120.2937 62.5295 31.9728 176.5801 107 K 4.3261 7.8135 123.0052 57.3136 33.4305 175.0933 108 S 4.2827 6.9528 112.6558 57.3933 65.0972 172.3303 109 Y 4.9829 8.2594 123.1649 55.7212 41.3024 176.1237 110 L 3.8882 8.7417 122.1444 58.0139 42.7008 178.5988 111 E 4.0186 8.3442 119.5297 59.8848 29.2575 177.7249 112 D 4.3626 7.7376 116.2356 57.9684 40.9762 179.1324 113 K 4.1511 7.7596 117.1205 58.9728 32.6942 178.2828 114 G 3.9598 8.1585 107.0818 45.1304 0.0000 172.0212 115 I 4.7868 8.2960 117.8833 58.5452 40.2097 175.5055 116 R 4.5689 8.0822 120.2734 54.6951 33.3656 173.9308 117 R 4.9157 8.3556 121.2562 54.4141 30.5224 175.1820 118 E 4.0840 9.4089 128.6465 55.9646 30.9517 177.1154 119 S 4.6386 7.9691 119.9498 56.9831 62.6770 174.9559 120 T 3.8117 7.3923 109.6358 62.6084 69.4888 174.6738 121 N 4.6969 8.3361 121.2005 52.8118 38.5665 173.0352 122 E 4.6145 7.0941 118.6290 55.2758 32.5329 173.6668 123 E 4.8491 7.9613 116.4072 55.3307 32.2762 174.5708 124 L 4.5027 8.7318 125.8675 54.5338 44.1631 176.4270 125 Y 3.8385 9.2205 125.8209 59.1635 35.4596 173.0413 126 G 3.8735 8.6334 108.5288 44.9992 0.0000 173.6772 127 F 4.7200 9.1219 120.8297 55.3537 39.9389 175.1759 128 N 4.6538 8.9841 123.8482 53.9251 38.8866 174.6052 129 I 4.7129 8.0504 123.1660 60.6918 39.4118 174.0721 130 Y 4.8209 8.3877 120.5668 57.1693 42.9411 174.2026 131 E 4.6527 8.7383 118.1652 55.2857 33.5221 175.0593 132 D 4.8710 8.8863 125.2018 53.9269 41.8742 176.3828 133 V 4.3139 8.8401 122.7840 61.5435 33.9507 173.5404 134 Y 4.8709 8.7550 125.9112 55.7460 39.5496 174.1573 135 P 4.7225 0.0000 0.0000 62.2750 32.9270 175.4803 136 V 4.7609 7.9211 117.7176 60.4976 34.4650 173.1548 137 A 4.8593 7.9445 123.5039 50.5890 22.2216 174.7462 138 K 4.7974 7.8253 115.5930 57.0825 36.5418 175.4584 139 K 4.1969 7.9906 117.1367 55.9688 35.0528 173.5572 140 E 4.2535 9.2305 129.2112 55.7941 30.8395 175.3578 141 L 4.8505 7.8289 124.6196 51.9946 44.5755 175.8793 142 P 4.2203 0.0000 0.0000 65.9522 31.1286 177.6774 143 S 4.2295 7.8802 111.1499 58.6754 63.3444 174.3939 144 G 4.0404 7.8840 109.6067 45.2136 0.0000 173.8119 145 E 4.5815 8.0818 118.4994 55.9117 31.2850 176.0237 146 F 5.0036 8.8838 122.0270 56.7177 41.6623 175.2641 147 I 4.8040 8.6874 121.6622 59.8003 40.2518 175.5044 148 G 4.2297 8.6632 115.3930 45.4606 0.0000 171.5899 149 I 4.4085 7.6193 119.3966 60.8951 40.8436 174.3931 150 V 4.6490 8.1828 120.9631 59.5563 36.2922 173.9457 151 L 5.1450 8.4679 120.3209 53.6208 43.9440 176.4480 152 K 4.5504 8.5136 122.2228 55.1935 36.1444 176.5940 153 H 3.9790 8.9501 117.7935 57.0676 28.3700 174.3350 *159 G 3.9179 7.8654 105.9831 46.5656 0.0000 171.9345 160 Y 4.9284 9.1921 123.1441 56.4108 39.2200 175.4250 161 Q 4.7353 7.8878 120.9286 54.5407 32.9879 173.7181 162 S 4.8270 8.9300 121.2958 58.7864 64.1700 172.8501 163 M 4.7149 9.0500 125.3559 53.5673 34.0696 174.4821 164 V 4.2923 8.4049 126.8007 62.5084 33.1003 174.0555 165 Y 5.0141 8.7027 125.6379 56.1234 41.2422 175.3497 166 V 4.4061 8.2414 121.9027 60.1821 34.2211 174.2127 167 C 4.8142 9.2134 125.2138 58.9607 29.6491 172.8847 168 I 4.9955 8.6139 125.5569 58.7820 39.2675 173.6086 169 P 4.3345 0.0000 0.0000 61.7565 32.2372 177.2990 170 L 3.9002 8.7539 122.1789 57.9241 41.6326 179.0819 171 T 4.1270 7.7112 106.3009 62.8108 68.9710 174.4413 172 N 4.7625 8.5634 118.9275 53.4194 40.0372 174.9202 173 V 4.6150 7.1269 111.4341 60.1525 33.5523 175.0022 174 E 4.8551 9.2243 120.4194 54.2526 33.9028 174.5750 175 P 4.8542 0.0000 0.0000 61.6233 33.5870 175.4454 176 S 4.3190 8.5420 113.6833 58.7309 61.8409 173.3875 177 L 4.7789 8.1946 121.6040 54.1290 42.6903 176.1229 178 A 4.6942 7.7233 123.1036 53.2326 18.6692 177.2039 179 G 4.3274 8.7499 116.8736 45.5907 0.0000 174.0205 180 R 4.3669 7.1545 113.2361 54.2080 31.6700 175.1041 181 V 3.8923 7.6939 111.3059 59.6379 33.7812 175.7399 182 A 4.5097 8.3853 123.8827 51.9523 19.1379 178.1512 183 R 3.8429 10.6400 121.2286 56.9625 31.1386 179.9483 184 R 3.2983 7.6249 118.5105 57.9801 31.7906 176.5121 185 N 5.1189 7.3452 112.1235 50.4391 39.6643 174.1242 186 E 4.1473 8.5457 121.6975 56.3609 31.8131 176.8422 187 V 5.1127 7.9564 123.8642 60.4723 33.9477 175.0886 188 V 4.3016 8.3679 121.5466 60.9373 33.5901 175.0253 189 K 5.0101 9.7594 124.8932 54.9983 34.7803 174.3809 190 Y 4.9889 8.9158 127.1611 55.9741 42.3060 173.4935 191 E 4.5385 8.0885 125.9227 55.2650 30.9942 175.7141 192 V 4.3403 8.5171 125.4395 61.3459 32.7529 173.8629 193 P 4.5058 0.0000 0.0000 61.8234 32.1961 177.4295 194 V 3.6947 8.7275 123.5557 65.3773 30.7112 178.3311 195 D 4.3125 8.0855 118.6782 57.2822 40.6617 178.2959 196 L 3.8632 8.0541 120.5209 58.2130 41.8592 179.0179 197 M 4.1251 7.8700 118.4064 58.0275 32.0409 178.6066 198 K 3.9355 8.1131 118.6074 59.6936 32.3371 179.4438 199 E 3.8695 8.8507 119.0416 58.9962 29.2396 179.6837 200 L 3.8826 7.5793 119.3993 57.7206 41.8181 179.1103 201 L 4.1207 8.2066 119.2571 57.9954 41.7230 179.8609 202 K 4.0691 8.3581 118.2864 59.3886 31.7084 178.9883 203 A 3.9785 7.8229 119.9712 55.3532 18.3852 179.5199 204 F 4.1546 7.9937 115.8654 60.8469 38.8509 177.8831 205 I 3.9425 8.1803 118.4952 63.4494 37.1776 176.6959 206 I 4.8032 7.6413 110.8391 60.4171 38.2985 177.2275 207 A 4.0995 8.7798 127.2541 55.2456 18.6414 178.2761 208 S 4.5754 7.4107 107.5251 56.5130 66.4431 176.1932 209 E 2.9524 7.6261 123.5526 59.3462 29.2153 178.9703 210 T 3.7849 7.6834 115.4347 66.7508 68.5532 175.5421 211 H 4.2766 8.1187 119.0610 58.4123 28.9130 177.3752 212 K 3.9261 8.2666 121.1342 59.6939 31.9562 178.2252 213 N 4.3223 8.2041 116.5503 56.5465 38.5228 176.7483 214 D 4.6311 8.1267 120.0168 57.9748 41.0369 179.3441 215 I 3.9956 7.7715 119.8080 64.2305 36.9058 178.7691 216 V 3.6473 8.0046 119.4090 65.6591 31.2061 178.0656 217 K 3.9451 8.4111 118.9037 59.2702 32.3161 178.2304 218 F 4.4675 8.8161 121.3741 61.5124 39.1524 176.9796 219 L 3.4625 8.0958 118.4354 57.8289 41.2827 179.7948 220 R 3.9585 8.1132 116.5594 58.2582 29.7775 178.4397 221 S 4.3996 7.7612 114.3617 60.6308 63.4858 176.2464 222 I 3.6669 6.9746 122.4335 62.9991 36.8013 175.9482 223 I 4.1736 7.1434 116.9149 60.8357 37.4959 175.1162 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 1 M 8.30 4.37 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 I 7.54 3.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.35 0.88 0.00 0.00 3 H 8.37 5.04 0.00 3.14 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.44 4.04 0.00 1.59 1.59 0.92 0.88 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 5 T 7.87 4.39 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 1.21 0.00 0.00 6 S 8.35 4.72 0.00 3.99 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 7 V 8.34 3.70 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 0.78 0.00 0.00 0.92 0.00 0.00 8 E 8.34 4.66 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 2.25 2.32 0.00 9 A 8.32 4.76 0.75 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 0.00 0.00 10 S 8.38 4.77 0.00 3.86 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 11 V 8.39 5.05 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 1.00 0.00 0.00 1.09 0.00 0.00 12 S 8.98 4.77 0.00 3.96 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 13 F 8.67 5.25 0.00 2.95 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 14 E 8.52 4.23 0.00 1.84 1.65 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 2.20 2.20 0.00 15 N 9.57 3.87 0.00 2.65 2.68 0.00 0.00 7.13 7.98 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 16 G 7.28 4.07 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 0.00 17 K 6.90 4.52 0.00 1.63 1.52 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.59 7.81 18 I 8.27 4.56 1.98 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 1.53 0.83 1.05 0.00 0.00 19 V 9.51 4.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.91 0.00 0.00 20 V 8.93 4.99 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 0.70 0.00 0.00 1.14 0.00 0.00 21 R 8.57 5.06 0.00 1.77 1.76 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 L 8.75 4.68 0.00 1.37 1.25 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 5.04 0.00 2.02 2.01 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 24 I 7.83 4.63 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.88 0.00 0.00 25 T 7.50 5.12 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 26 R 7.58 4.64 0.00 1.78 1.90 0.00 3.37 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 27 P 0.00 4.46 0.00 2.05 2.06 0.00 3.67 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 2.04 2.14 0.00 28 T 8.17 4.50 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 1.22 0.00 0.00 29 S 8.46 4.29 0.00 3.99 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 30 K 7.86 4.34 0.00 1.86 1.86 0.00 1.86 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.61 7.81 31 I 6.80 5.18 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.28 0.88 0.00 0.00 32 R 7.74 4.39 0.00 1.88 2.02 0.00 2.95 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 33 V 7.71 5.17 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 1.20 0.00 0.00 1.01 0.00 0.00 34 K 9.51 5.10 0.00 1.90 1.88 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.46 7.81 35 K 8.93 4.74 0.00 0.98 0.74 0.00 1.18 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.26 7.81 36 I 8.24 4.37 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 0.89 0.00 0.00 37 E 8.45 4.11 0.00 1.95 1.79 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 2.35 2.27 0.00 38 N 9.74 4.14 0.00 2.81 2.79 0.00 0.00 7.04 7.65 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 39 G 7.96 4.03 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 0.00 0.00 0.00 40 V 8.45 3.96 2.33 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 0.74 0.00 0.00 1.03 0.00 0.00 41 G 8.39 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.58 4.49 1.96 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 1.27 0.99 0.93 0.00 0.00 43 P 0.00 4.74 0.00 2.11 2.08 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 44 V 8.44 4.52 2.32 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 1.05 0.00 0.00 1.18 0.00 0.00 45 S 8.54 4.76 0.00 3.95 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 46 T 8.74 3.91 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 1.47 0.00 0.00 47 R 7.75 4.14 0.00 1.76 1.95 0.00 3.34 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 48 K 7.95 4.10 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.41 7.81 49 K 8.06 4.17 0.00 1.78 1.31 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.31 7.81 50 S 7.86 5.31 0.00 3.86 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 51 F 7.03 4.51 0.00 3.15 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 52 P 0.00 4.50 0.00 2.19 2.21 0.00 3.36 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 53 S 8.38 4.45 0.00 3.88 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 54 D 8.25 4.82 0.00 2.69 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 55 E 8.41 5.74 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 56 N 7.81 5.15 0.00 3.11 3.39 0.00 0.00 6.50 6.62 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 57 L 7.54 3.61 0.00 1.68 1.57 0.68 0.82 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 58 R 7.96 3.88 0.00 1.78 1.93 0.00 3.26 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 59 D 9.60 4.89 0.00 3.00 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 60 Y 7.23 4.78 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.64 5.27 0.00 2.83 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 62 I 8.93 4.67 1.89 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 1.15 1.64 0.96 0.00 0.00 63 E 9.53 4.57 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 64 W 8.45 4.92 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.29 3.81 0.00 1.67 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 66 I 7.53 3.64 0.93 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.78 0.00 0.00 67 S 8.01 5.04 0.00 3.71 3.58 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 0.00 0.00 0.00 0.00 68 Y 7.39 4.56 0.00 2.58 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 69 A 6.79 4.44 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.94 4.14 0.00 0.67 1.30 0.00 2.87 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 71 D 9.44 4.28 0.00 2.69 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 72 G 8.41 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.61 4.98 0.00 1.85 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.38 7.81 74 Y 8.65 4.65 0.00 2.78 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 0.00 0.00 0.00 0.00 75 D 7.67 4.62 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 4.98 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.34 3.73 0.00 2.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 78 L 5.79 3.98 0.00 1.76 1.80 0.98 1.10 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 79 S 7.80 4.22 0.00 3.75 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.19 4.33 0.00 2.11 2.25 0.00 3.37 0.00 0.00 3.59 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 81 M 8.51 4.17 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.89 0.00 82 V 8.60 3.72 2.52 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 1.24 0.00 0.00 1.18 0.00 0.00 83 R 8.65 4.04 0.00 2.21 2.48 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 84 L 8.44 4.18 0.00 2.11 1.92 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.79 4.16 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 0.00 0.00 0.00 0.00 0.00 86 H 8.39 4.87 0.00 3.14 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.82 3.91 0.00 1.85 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 0.00 1.75 2.13 0.00 88 H 8.29 4.75 0.00 2.80 1.99 0.00 5.88 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.37 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 90 I 7.00 2.54 2.08 0.00 0.00 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 1.57 1.05 1.00 0.00 0.00 91 L 5.78 4.40 0.00 1.90 1.66 0.95 0.86 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 92 T 8.88 4.67 4.34 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 1.38 0.00 0.00 93 Y 8.99 4.06 0.00 3.10 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 94 N 8.67 4.55 0.00 3.02 2.94 0.00 0.00 7.04 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 95 D 7.71 4.40 0.00 2.97 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 96 I 8.23 3.84 1.65 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.71 0.00 0.00 97 Y 7.77 3.99 0.00 2.84 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 98 E 8.50 3.95 0.00 2.17 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 2.41 2.52 0.00 99 L 7.94 4.05 0.00 1.96 1.71 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.71 3.95 0.00 1.60 1.60 0.85 0.85 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 0.00 101 K 7.74 3.68 0.00 1.89 1.81 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 0.92 7.81 102 F 7.94 4.03 0.00 3.05 3.26 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 0.00 103 A 7.93 3.93 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 0.00 104 D 7.79 4.40 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.57 4.38 0.00 2.47 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 6.48 3.55 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 0.48 0.00 0.00 0.15 0.00 0.00 107 K 7.81 4.33 0.00 1.77 1.71 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.30 7.81 108 S 6.95 4.28 0.00 3.63 3.51 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 0.00 0.00 0.00 109 Y 8.26 4.98 0.00 3.22 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 0.00 110 L 8.74 3.89 0.00 1.78 1.72 0.91 0.79 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 0.00 111 E 8.34 4.02 0.00 2.07 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 2.36 2.39 0.00 112 D 7.74 4.36 0.00 2.95 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 0.00 113 K 7.76 4.15 0.00 1.79 1.90 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 114 G 8.16 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 0.00 115 I 8.30 4.79 1.66 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.12 -0.00 0.00 0.00 116 R 8.08 4.57 0.00 1.78 1.91 0.00 3.08 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 117 R 8.36 4.92 0.00 1.77 1.86 0.00 3.06 0.00 0.00 2.77 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 118 E 9.41 4.08 0.00 2.26 1.82 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 2.30 2.34 0.00 119 S 7.97 4.64 0.00 3.83 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 0.00 120 T 7.39 3.81 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 1.19 0.00 0.00 121 N 8.34 4.70 0.00 2.65 2.77 0.00 0.00 6.80 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 0.00 122 E 7.09 4.61 0.00 1.90 1.83 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 2.21 2.18 0.00 123 E 7.96 4.85 0.00 1.91 1.72 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 2.17 2.37 0.00 124 L 8.73 4.50 0.00 1.79 1.63 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 9.22 3.84 0.00 3.27 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 0.00 126 G 8.63 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 0.00 0.00 0.00 127 F 9.12 4.72 0.00 3.20 3.04 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 0.00 128 N 8.98 4.65 0.00 3.03 2.84 0.00 0.00 7.12 7.45 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 0.00 129 I 8.05 4.71 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.97 0.00 0.00 130 Y 8.39 4.82 0.00 2.72 3.04 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 0.00 131 E 8.74 4.65 0.00 1.92 1.83 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 2.26 2.32 0.00 132 D 8.89 4.87 0.00 2.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.84 4.31 2.03 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 0.99 0.00 0.00 0.97 0.00 0.00 134 Y 8.76 4.87 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.72 0.00 2.19 2.06 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 136 V 7.92 4.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.84 0.00 0.00 137 A 7.94 4.86 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 0.00 138 K 7.83 4.80 0.00 1.54 1.65 0.00 1.51 0.00 0.00 2.06 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.05 7.81 139 K 7.99 4.20 0.00 1.79 1.63 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.34 7.81 140 E 9.23 4.25 0.00 1.65 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 2.17 2.21 0.00 141 L 7.83 4.85 0.00 1.67 1.50 0.98 1.18 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 0.00 142 P 0.00 4.22 0.00 2.15 2.18 0.00 3.74 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 1.98 1.95 0.00 143 S 7.88 4.23 0.00 4.29 4.03 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 0.00 144 G 7.88 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 0.00 0.00 0.00 145 E 8.08 4.58 0.00 2.06 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 0.00 2.38 2.38 0.00 146 F 8.88 5.00 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.69 4.80 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 1.14 1.19 0.88 0.00 0.00 148 G 8.66 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 0.00 149 I 7.62 4.41 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 0.85 0.00 0.00 150 V 8.18 4.65 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 0.52 0.00 0.00 0.48 0.00 0.00 151 L 8.47 5.15 0.00 1.62 1.68 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.51 4.55 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.53 7.81 153 H 8.95 3.98 0.00 3.29 3.32 0.00 5.76 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 *159 G 7.87 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 0.00 160 Y 9.19 4.93 0.00 2.91 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 0.00 161 Q 7.89 4.74 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 162 S 8.93 4.83 0.00 3.97 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 0.00 163 M 9.05 4.71 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.87 0.00 164 V 8.40 4.29 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.11 0.00 0.00 165 Y 8.70 5.01 0.00 2.78 2.75 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 0.00 166 V 8.24 4.41 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 0.52 0.00 0.00 0.87 0.00 0.00 167 C 9.21 4.81 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.61 5.00 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.63 0.77 0.00 0.00 169 P 0.00 4.33 0.00 2.00 1.82 0.00 3.96 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.01 0.00 170 L 8.75 3.90 0.00 1.62 1.53 0.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.71 4.13 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 1.17 0.00 0.00 172 N 8.56 4.76 0.00 3.00 3.08 0.00 0.00 6.89 8.29 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 0.00 173 V 7.13 4.62 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 0.80 0.00 0.00 0.97 0.00 0.00 174 E 9.22 4.86 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 175 P 0.00 4.85 0.00 2.07 2.08 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 176 S 8.54 4.32 0.00 3.83 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 0.00 177 L 8.19 4.78 0.00 1.78 2.04 1.26 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 178 A 7.72 4.69 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 0.00 179 G 8.75 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 0.00 180 R 7.15 4.37 0.00 1.93 2.07 0.00 2.73 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 181 V 7.69 3.89 2.09 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 0.59 0.00 0.00 0.84 0.00 0.00 182 A 8.39 4.51 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 10.64 3.84 0.00 1.64 1.84 0.00 3.14 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.96 0.00 184 R 7.62 3.30 0.00 1.82 1.96 0.00 3.30 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 185 N 7.35 5.12 0.00 2.61 2.69 0.00 0.00 7.23 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 0.00 186 E 8.55 4.15 0.00 2.32 1.83 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 2.32 2.27 0.00 187 V 7.96 5.11 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 1.05 0.00 0.00 0.90 0.00 0.00 188 V 8.37 4.30 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 0.68 0.00 0.00 0.96 0.00 0.00 189 K 9.76 5.01 0.00 1.82 1.63 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 190 Y 8.92 4.99 0.00 3.08 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 0.00 191 E 8.09 4.54 0.00 1.60 1.68 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 2.15 2.16 0.00 192 V 8.52 4.34 2.32 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 0.90 0.00 0.00 1.27 0.00 0.00 193 P 0.00 4.51 0.00 2.27 1.97 0.00 3.89 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 194 V 8.73 3.69 2.13 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 0.87 0.00 0.00 0.97 0.00 0.00 195 D 8.09 4.31 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.05 3.86 0.00 1.79 1.92 0.96 0.86 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 0.00 197 M 7.87 4.13 0.00 2.16 2.35 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 2.77 2.71 0.00 198 K 8.11 3.94 0.00 1.89 1.78 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.75 7.81 199 E 8.85 3.87 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 200 L 7.58 3.88 0.00 1.88 1.74 0.81 0.47 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 0.00 201 L 8.21 4.12 0.00 1.82 1.79 0.98 1.05 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 0.00 202 K 8.36 4.07 0.00 1.73 1.66 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.81 1.26 7.81 203 A 7.82 3.98 1.12 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 0.00 204 F 7.99 4.15 0.00 3.17 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.94 2.40 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.82 1.08 0.00 0.00 206 I 7.64 4.80 1.92 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 1.44 0.99 1.15 0.00 0.00 207 A 8.78 4.10 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 0.00 208 S 7.41 4.58 0.00 4.19 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 0.00 209 E 7.63 2.95 0.00 1.30 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 210 T 7.68 3.78 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 1.20 0.00 0.00 211 H 8.12 4.28 0.00 3.46 3.60 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.27 3.93 0.00 2.11 1.99 0.00 1.90 0.00 0.00 2.03 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.60 7.81 213 N 8.20 4.32 0.00 3.02 2.90 0.00 0.00 7.05 7.59 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 0.00 214 D 8.13 4.63 0.00 3.01 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 I 7.77 4.00 2.02 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.98 0.00 0.00 216 V 8.00 3.65 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 1.09 0.00 0.00 1.07 0.00 0.00 217 K 8.41 3.95 0.00 1.85 1.84 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 218 F 8.82 4.47 0.00 3.50 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.46 0.00 1.69 1.55 0.91 0.61 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 0.00 220 R 8.11 3.96 0.00 1.83 1.98 0.00 3.15 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 221 S 7.76 4.40 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 I 6.97 3.67 1.62 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.02 0.80 0.00 0.00 223 I 7.14 4.17 1.97 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.64 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.