NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6506 8.3044 120.3403 54.6316 32.7202 175.2683 2 K 3.4913 8.2602 126.0671 55.7941 32.8953 173.1371 3 E 3.8738 9.0805 127.9025 59.6552 29.9730 177.6926 4 E 3.8509 8.2525 118.3096 59.3346 29.4672 178.6507 5 A 3.9572 7.8432 120.0767 55.2938 18.6039 179.6876 6 V 3.1288 7.5417 116.3292 65.6488 31.3714 178.3235 7 R 3.7849 8.0755 118.9827 59.4177 30.1746 178.5824 8 V 3.5571 7.7219 118.0034 65.9513 31.4982 177.9927 9 I 3.5928 7.8220 119.5412 64.4022 36.9911 177.9967 10 E 3.9342 8.2578 119.6849 59.5706 29.1286 178.9137 11 E 3.9046 8.0357 117.7986 59.5041 29.8831 178.9056 12 V 3.7149 7.6219 117.4162 66.0939 31.6305 177.9898 13 L 4.1765 8.0163 118.7323 57.7080 41.2076 179.3762 14 K 4.0720 8.4277 119.0915 59.1320 32.0779 177.7637 15 Q 4.4551 7.8049 116.2918 54.7651 28.8838 175.6237 16 G 3.9511 8.5501 108.0904 46.9061 0.0000 174.1532 17 R 4.7417 8.0212 116.7356 54.2027 33.1784 175.8148 18 T 4.5065 8.3790 109.4477 62.3236 71.7058 173.7588 19 A 4.7564 7.8994 123.7494 50.9939 19.7850 176.8316 20 M 4.4625 8.6028 123.2309 54.3234 33.4799 177.2105 21 V 3.8467 8.8309 116.5507 60.3716 33.1051 176.8926 22 E 3.8558 8.9067 122.0217 60.1075 29.0430 178.9209 23 Y 4.1864 7.8435 116.7644 60.0048 37.9934 177.8407 24 E 4.3243 7.3949 121.1354 58.3783 29.6484 178.7729 25 A 3.9447 7.9136 120.8331 55.2877 18.5446 179.9230 26 K 3.9618 8.1490 116.7798 59.5753 32.0202 179.6516 27 Q 4.0724 7.8421 118.5506 58.8215 28.3747 178.8540 28 V 3.6484 7.2547 118.5125 65.8968 31.9049 177.7825 29 L 4.1861 7.9530 118.6692 57.9374 41.5370 179.6829 30 K 4.0067 8.6683 118.4788 59.3768 31.7626 179.0894 31 A 4.3054 7.9657 119.8533 54.2071 17.6655 177.6263 32 Y 4.2137 7.9235 114.3615 57.4687 38.3608 177.1969 33 G 3.8699 8.6248 107.3115 45.8304 0.0000 174.6445 34 L 4.1956 7.2135 119.8581 53.6935 42.2305 176.5057 35 P 4.4989 0.0000 0.0000 62.2683 29.3253 173.4492 36 V 4.5396 7.7370 124.5645 60.6086 33.3690 173.7722 37 P 4.4916 0.0000 0.0000 61.9108 32.0443 175.6074 38 E 4.0239 8.5082 120.3518 56.6355 29.9632 175.8652 39 E 4.8697 8.3943 124.0480 54.7305 34.0042 174.6056 40 K 4.2051 8.6777 121.7619 54.3161 35.6671 175.2775 41 L 4.7723 8.0016 125.7208 53.6095 42.6565 175.3312 42 A 4.9349 9.1890 130.0309 51.5934 19.5382 177.9616 43 K 4.6201 9.6450 121.7098 57.2754 33.4459 177.0499 44 T 4.8463 7.4815 108.3231 58.8244 73.2416 174.3117 45 L 2.4400 7.4719 122.1328 57.5388 41.9175 178.5831 46 D 4.1566 7.6110 118.3844 57.3364 40.7461 178.3840 47 E 3.8590 8.2144 120.0292 58.7066 29.3577 179.2902 48 A 4.1824 7.8723 120.6612 55.2502 18.5798 179.6365 49 L 3.9659 7.9704 117.5337 57.8610 41.5297 179.6769 50 E 3.8657 7.9238 118.3450 59.7747 29.3942 178.9880 51 Y 4.4468 7.8200 116.5449 60.9576 37.7662 178.7182 52 A 3.7482 8.3185 121.9562 55.1680 18.2748 179.8625 53 K 4.0085 7.6956 115.2066 59.4431 32.1248 178.9433 54 E 4.0917 8.1093 119.2153 59.3389 29.8082 178.6224 55 I 3.9675 8.0262 111.3993 60.6764 38.4273 175.3804 56 G 4.0591 7.9441 111.1503 45.9449 0.0000 173.0135 57 Y 4.4470 8.4149 120.3306 56.8322 39.4737 173.2873 58 P 5.1306 0.0000 0.0000 63.0851 32.8188 175.3280 59 V 4.6927 8.6670 113.6933 59.6980 36.4026 174.2606 60 V 4.8541 8.7167 120.9947 61.2543 34.4316 174.0686 61 L 5.3452 8.9054 126.8591 52.9482 44.8996 175.7294 62 K 4.9010 8.7795 122.0422 54.3171 35.8821 175.5144 63 L 4.1736 8.6525 128.7762 55.2681 42.9028 175.9257 64 M 4.6025 8.9464 126.5500 53.9674 34.1444 175.2167 65 S 4.9563 8.1783 116.8033 57.4437 65.5036 173.6370 66 P 4.2909 0.0000 0.0000 65.1940 31.3081 177.2291 67 Q 4.3543 7.7071 115.5855 56.7070 29.2823 176.2205 68 I 4.6127 7.3625 118.5845 59.4153 37.1453 174.9531 69 L 4.1213 8.0402 122.9547 57.3384 42.6032 177.6638 70 H 4.6537 7.8196 119.8618 54.1614 28.6318 174.8895 71 K 3.7375 8.2830 124.0385 59.1446 32.0326 178.3753 72 S 4.0581 7.8960 112.5506 61.3598 62.9691 175.5067 73 D 4.2518 7.4778 120.0496 56.9174 41.1391 177.4769 74 A 3.6843 7.1448 118.3027 51.6013 19.1781 176.8813 75 K 3.6755 7.5994 115.4380 58.1786 29.7600 176.4336 76 V 4.2759 7.4170 107.7888 60.8750 33.5663 176.1779 77 V 4.7387 7.6681 120.7546 61.3423 33.6020 174.5101 78 M 4.7929 9.2169 127.8465 53.6118 34.8767 175.4991 79 L 4.7196 8.5401 122.8979 52.3007 44.5839 175.5449 80 N 4.0012 8.3825 116.2555 54.7435 37.3076 175.1484 81 I 4.2271 8.0635 120.9420 61.0650 37.4296 177.8622 82 K 4.2421 9.1794 126.7989 58.4630 32.5183 176.9243 83 N 3.8175 7.5172 115.0632 50.2649 41.2677 174.4919 84 E 4.1181 8.1097 120.9074 58.9447 29.4453 178.4362 85 E 3.9425 8.0908 118.2094 59.4389 29.5934 178.7952 86 E 4.0017 8.9064 119.7688 59.0382 29.6786 178.6034 87 L 4.1090 8.1639 120.6893 58.0668 41.6722 179.1045 88 K 4.0914 8.2173 118.8655 59.1160 31.9416 179.3916 89 K 4.1744 8.0045 119.2219 59.7943 32.8442 179.4784 90 K 4.1119 8.4984 119.6583 58.5430 31.4396 179.2000 91 W 4.0881 8.4729 129.1916 60.4185 30.6193 177.9511 92 E 4.1819 8.1477 117.5774 59.3589 28.9396 178.9175 93 E 4.2177 8.6202 120.2183 58.9712 29.6540 179.5291 94 I 3.7622 7.7578 112.8106 64.4717 37.4278 177.9107 95 H 4.0476 7.8250 116.7300 58.3972 27.9690 177.6882 96 E 3.9633 8.1317 120.5507 59.5959 29.4976 179.0850 97 N 4.3610 8.6672 116.6582 56.2970 38.4575 177.3625 98 A 4.0635 8.1403 122.2279 54.7457 18.2013 179.6326 99 K 3.9204 7.7350 117.7298 59.6352 32.3572 178.9984 100 K 4.1680 7.9611 118.0052 59.1413 32.0161 178.6660 101 Y 4.3486 7.7754 118.9714 59.4712 39.9218 176.7627 102 R 4.5313 8.3737 122.8351 53.7850 31.9102 173.7532 103 P 4.3487 0.0000 0.0000 64.7161 31.4881 177.4704 104 D 4.7162 7.9049 116.7000 52.7231 39.7264 176.2330 105 A 4.2043 7.8594 123.4712 52.4267 18.5721 177.2471 106 E 4.1662 9.9295 124.0373 55.4593 30.2653 175.5562 107 I 4.5159 8.2147 127.5214 59.9983 37.5278 175.6656 108 L 4.1977 8.8283 126.5775 55.7005 42.2339 177.6206 109 G 3.9818 6.9914 104.6517 43.7307 0.0000 171.1587 110 V 4.6890 8.5184 120.1097 60.7743 34.6153 175.0781 111 L 4.6103 9.1205 130.9933 54.7245 43.4986 175.3203 112 V 4.8136 9.1327 126.9669 61.4144 33.2709 174.2858 113 A 5.2023 8.7284 129.0867 49.3239 23.0456 172.8253 114 P 4.7926 0.0000 0.0000 62.4389 33.2515 176.4675 115 M 4.4343 8.4698 120.7024 54.1935 31.6095 176.3020 116 L 4.2669 8.4300 123.8616 53.8502 42.7134 177.4359 117 K 4.1006 8.6379 123.9860 55.4847 32.6613 175.1191 118 P 3.4406 0.0000 0.0000 63.0260 31.8308 175.5322 119 G 4.0121 6.5524 104.9576 45.2990 0.0000 171.6158 120 R 4.1058 8.5692 121.0587 56.4754 31.0979 176.2610 121 E 4.9462 8.8772 126.6354 56.4741 30.5456 176.2975 122 V 4.9625 8.8172 116.6379 59.7073 36.8635 174.4356 123 I 4.8887 8.6700 121.7764 59.7585 41.4817 174.6735 124 I 4.8356 8.6140 126.7336 59.6184 39.8054 174.9599 125 G 4.5233 8.9664 114.0468 44.3877 0.0000 171.8162 126 V 5.6577 9.1753 120.4271 60.4410 35.1357 174.3074 127 T 5.0764 8.5427 116.2248 59.9510 73.0382 171.8051 128 E 4.9115 8.5949 122.3726 54.4294 31.9911 174.4618 129 D 4.7308 9.3293 127.5543 52.5411 42.6027 175.5271 130 P 4.2614 0.0000 0.0000 65.2971 31.6616 177.4397 131 Q 4.1567 8.3126 115.0189 56.7209 29.6277 176.2428 132 F 4.5925 9.2296 113.9962 56.5606 40.3667 177.4777 133 G 3.8410 7.9929 109.4051 44.9955 0.0000 172.2891 134 H 5.0536 8.6089 115.8862 55.8063 30.3273 174.5942 135 A 5.1840 9.2882 123.2695 50.2115 22.8575 174.5597 136 I 4.9158 8.8388 121.1326 59.5601 40.7304 174.3882 137 M 5.4957 9.4268 128.1508 53.7349 35.8192 174.4340 138 F 5.5150 8.4019 122.4468 55.9001 43.5925 173.5239 139 G 3.8809 6.7778 109.8371 45.3965 0.0000 172.4373 140 L 4.4076 8.4022 120.2468 54.5665 42.3272 178.1897 141 G 3.9543 8.3087 111.4578 46.8647 0.0000 171.6860 142 G 3.8402 8.9245 108.7984 44.4864 0.0000 173.1094 143 I 3.8817 7.7023 110.3326 61.6110 38.1927 176.3436 144 F 5.1230 7.4599 120.2845 57.4246 39.8176 178.0237 145 V 3.6683 7.9257 124.3300 64.9806 30.9331 177.3783 146 E 4.0788 8.1191 116.6253 58.6507 29.6730 178.5889 147 I 4.0119 7.5798 119.9184 64.0970 37.6182 177.7048 148 L 4.0584 8.1537 118.6901 55.2159 42.6568 177.3119 149 K 3.7919 7.5853 116.9221 57.8351 29.8710 176.2384 150 D 4.8256 7.5301 115.9204 51.8978 41.7502 173.8531 151 V 4.8592 7.8386 115.0608 59.1534 35.8934 174.4744 152 T 4.9623 8.9694 114.0480 60.1093 72.0707 172.6341 153 F 5.6080 8.1812 116.2079 56.0676 41.5860 173.0906 154 R 4.4862 8.8741 117.5171 55.1025 33.7157 173.7566 155 L 4.7697 8.4671 124.0321 54.5135 42.7035 176.6561 156 V 4.1780 8.4639 123.6500 61.5010 32.3779 174.1271 157 P 4.5398 0.0000 0.0000 62.3338 32.2813 175.4733 158 I 4.5501 8.2322 114.2662 59.6056 39.9929 175.5972 159 T 4.4717 8.4864 112.7360 60.2010 71.9513 175.3800 160 E 3.9208 8.4987 120.7787 59.0225 29.4692 178.5067 161 K 3.8621 7.9549 119.4097 59.4858 32.3195 178.1629 162 D 4.2793 7.8135 118.9207 57.3278 40.6364 178.6468 163 A 3.8929 7.9510 120.9294 55.4792 18.3035 180.0206 164 R 3.7989 8.1200 116.6056 58.9247 30.0885 179.3668 165 K 3.8208 8.1569 119.8806 59.6950 32.1182 178.9219 166 M 4.3981 8.2604 117.0954 57.5842 31.0709 178.1288 167 I 3.9368 7.1604 120.7839 64.1786 37.3887 177.7445 168 Q 3.3226 7.4774 117.3937 57.7469 28.9193 177.6860 169 E 4.1185 8.1065 119.5445 57.1859 29.9408 176.9094 170 I 4.1508 7.3209 113.1537 60.1941 38.5979 177.0888 171 K 3.9231 9.3525 123.1339 59.7755 32.3450 177.9691 172 A 4.4004 8.4423 119.7404 52.6222 18.5403 178.2317 173 Y 4.1302 8.3492 121.1825 61.3721 38.6158 176.6351 174 P 4.1197 0.0000 0.0000 65.8088 31.0949 178.5482 175 I 3.6848 7.3596 117.4348 64.3066 37.2727 178.1445 176 L 4.0675 7.7802 119.6649 57.4826 41.2360 179.1591 177 A 4.3641 7.2619 119.1211 52.3727 18.6453 176.8989 178 G 3.7118 7.8864 104.9124 47.7318 0.0000 172.9085 179 A 4.4096 7.9180 130.6721 51.8481 19.2972 176.6538 *182 E 4.1431 7.9223 118.2543 57.3884 30.8355 174.9339 183 E 4.5089 8.4481 119.9372 55.5685 30.2592 175.5438 184 P 4.6524 0.0000 0.0000 62.5010 32.9191 175.8720 185 A 4.4803 8.8979 124.5691 51.7804 19.6829 178.6274 186 D 4.5801 9.0371 119.5521 53.1121 39.4430 176.5389 187 I 3.6955 7.9352 125.6770 64.1766 37.5196 177.0911 188 D 4.4180 8.2299 118.8091 57.4109 40.5800 178.7481 189 A 4.0137 8.6724 121.6233 55.1075 18.3542 179.7948 190 I 3.6150 7.4891 118.1623 64.4666 37.1693 178.7112 191 V 3.4810 8.0960 119.5440 66.0778 31.2921 177.5783 192 D 4.3164 8.2677 117.7376 57.5318 40.9866 178.1604 193 M 4.0768 8.0645 119.2484 58.3747 31.9397 178.6566 194 L 3.9890 8.0059 119.1326 57.8940 41.7706 179.6954 195 L 4.0051 7.9198 118.8642 57.6489 41.4520 179.7389 196 K 4.0441 8.2242 118.5887 59.4037 31.9722 179.6369 197 V 3.4697 8.1719 119.0266 65.8356 31.3382 177.9339 198 S 4.0508 8.2174 113.0621 61.1967 62.1226 176.1413 199 K 3.8967 8.1392 122.1905 59.3754 32.0275 178.3189 200 L 2.5071 7.7258 120.8162 57.8832 41.6445 179.2333 201 V 3.4511 7.9472 118.3910 65.7787 31.2045 177.4392 202 D 4.3159 8.0322 117.0760 57.4558 41.1805 177.6064 203 D 4.6313 8.2001 118.3377 56.9184 41.0818 178.2382 204 L 4.9582 7.8171 118.1563 54.3640 42.3253 178.6836 205 K 3.8701 7.6007 121.5531 59.9187 32.3504 177.5396 206 D 4.4724 7.8804 117.0320 55.6024 41.5929 176.7354 207 Y 4.4642 8.2802 117.6523 59.8358 38.7294 175.6128 208 I 4.4946 7.6350 119.2700 60.6053 38.2422 175.4633 209 K 4.3829 9.0678 128.3142 58.6515 32.5843 176.2633 210 E 5.0116 7.6791 115.7789 55.9144 33.2476 172.8668 211 M 4.9038 8.8218 117.2771 55.5012 35.3598 172.6449 212 D 4.9398 8.3880 116.9339 52.7733 43.7134 174.6784 213 L 4.7223 8.7106 119.6480 53.4581 44.4603 175.8391 214 N 4.8034 8.6609 122.2450 52.2346 42.2165 172.4786 215 P 4.6997 0.0000 0.0000 61.8110 34.4196 174.5373 216 V 4.6044 7.9781 118.6134 61.0826 34.7689 173.8706 217 F 5.5723 9.0467 126.6488 55.9169 41.3576 174.7045 218 V 4.3399 8.6314 123.9258 61.3836 33.7511 175.0900 219 Y 5.1433 8.1079 125.9342 56.7172 40.5845 174.4508 220 N 5.0370 8.9395 117.5985 52.7436 40.1834 174.7912 221 K 3.8307 8.0809 120.4847 58.5809 32.3504 177.0048 222 G 4.0345 9.1326 113.0363 45.8317 0.0000 173.2599 223 E 4.6489 8.0786 116.8770 55.4065 30.6948 178.0644 224 G 3.7783 8.4834 109.3161 47.2676 0.0000 172.2241 225 A 4.8876 8.2614 121.8558 51.1314 22.6904 175.6530 226 V 4.7192 8.5156 118.0692 60.4941 35.0630 174.3534 227 I 4.2275 8.6615 125.8798 60.9265 37.1298 175.8814 228 V 3.8260 8.6190 128.1577 64.8527 32.3745 175.2391 229 D 4.9257 7.5486 117.4952 53.3714 45.0112 173.6974 230 S 5.0893 8.1512 114.5640 57.2764 65.5144 173.7504 231 R 4.7460 8.6433 120.6683 54.5107 32.9957 174.0044 232 I 5.0158 8.2164 121.3305 59.6724 41.3973 173.9115 233 I 4.7444 8.8914 128.1736 59.6213 39.1877 175.2987 234 L 4.9582 9.2447 128.4243 53.7148 43.3488 176.2811 235 K 4.6151 9.0572 121.4013 54.4458 33.2475 175.4544 236 P 4.2778 0.0000 0.0000 63.3738 32.2094 176.2401 237 K 4.1558 8.6060 120.2582 57.1238 33.0181 175.1488 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 4.65 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 2 K 8.26 3.49 0.00 1.27 1.30 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.48 7.81 3 E 9.08 3.87 0.00 2.09 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 2.37 2.43 0.00 4 E 8.25 3.85 0.00 2.08 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 0.00 2.37 2.45 0.00 5 A 7.84 3.96 1.50 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 6 V 7.54 3.13 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 0.93 0.00 0.00 0.93 0.00 0.00 7 R 8.08 3.78 0.00 2.06 2.02 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 8 V 7.72 3.56 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 1.04 0.00 0.00 9 I 7.82 3.59 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.70 0.00 0.00 10 E 8.26 3.93 0.00 2.11 2.01 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 2.45 2.48 0.00 11 E 8.04 3.90 0.00 2.07 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 0.00 2.35 2.35 0.00 12 V 7.62 3.71 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 0.94 0.00 0.00 0.97 0.00 0.00 13 L 8.02 4.18 0.00 1.92 1.74 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.43 4.07 0.00 1.79 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 15 Q 7.80 4.46 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 16 G 8.55 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 17 R 8.02 4.74 0.00 1.93 1.80 0.00 3.15 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 18 T 8.38 4.51 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 19 A 7.90 4.76 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 20 M 8.60 4.46 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 21 V 8.83 3.85 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 0.62 0.00 0.00 0.41 0.00 0.00 22 E 8.91 3.86 0.00 1.99 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 2.38 2.46 0.00 23 Y 7.84 4.19 0.00 3.22 3.19 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 24 E 7.39 4.32 0.00 1.84 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 1.97 1.47 0.00 25 A 7.91 3.94 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 26 K 8.15 3.96 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 27 Q 7.84 4.07 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 28 V 7.25 3.65 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 0.84 0.00 0.00 0.93 0.00 0.00 29 L 7.95 4.19 0.00 1.91 1.72 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.67 4.01 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 31 A 7.97 4.31 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 32 Y 7.92 4.21 0.00 3.14 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 33 G 8.62 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 34 L 7.21 4.20 0.00 2.04 1.63 0.93 0.99 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 35 P 0.00 4.50 0.00 2.39 2.25 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 36 V 7.74 4.54 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 0.88 0.00 0.00 0.93 0.00 0.00 37 P 0.00 4.49 0.00 2.23 2.08 0.00 3.89 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 1.99 1.97 0.00 38 E 8.51 4.02 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 39 E 8.39 4.87 0.00 1.79 1.71 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 2.18 2.47 0.00 40 K 8.68 4.21 0.00 1.00 0.74 0.00 1.34 0.00 0.00 1.38 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.46 0.87 7.81 41 L 8.00 4.77 0.00 1.23 1.31 0.76 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 A 9.19 4.93 1.71 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 43 K 9.64 4.62 0.00 1.96 1.95 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 44 T 7.48 4.85 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 1.22 0.00 0.00 45 L 7.47 2.44 0.00 0.27 1.02 0.48 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.61 4.16 0.00 2.57 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 47 E 8.21 3.86 0.00 2.16 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 2.12 2.08 0.00 48 A 7.87 4.18 1.50 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 49 L 7.97 3.97 0.00 1.79 1.72 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.92 3.87 0.00 1.80 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 2.21 2.40 0.00 51 Y 7.82 4.45 0.00 3.11 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 52 A 8.32 3.75 0.98 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 0.00 0.00 53 K 7.70 4.01 0.00 1.99 1.95 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.75 7.81 54 E 8.11 4.09 0.00 2.29 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 0.00 2.37 2.36 0.00 55 I 8.03 3.97 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.63 0.93 0.00 0.00 56 G 7.94 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 0.00 0.00 0.00 57 Y 8.41 4.45 0.00 3.00 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 58 P 0.00 5.13 0.00 2.16 2.14 0.00 3.77 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 2.04 2.05 0.00 59 V 8.67 4.69 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 0.43 0.00 0.00 0.85 0.00 0.00 60 V 8.72 4.85 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 1.02 0.00 0.00 0.96 0.00 0.00 61 L 8.91 5.35 0.00 1.62 1.53 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.78 4.90 0.00 1.64 1.63 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 63 L 8.65 4.17 0.00 1.41 1.41 0.57 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.95 4.60 0.00 2.13 2.20 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 2.79 2.83 0.00 65 S 8.18 4.96 0.00 3.84 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 66 P 0.00 4.29 0.00 2.08 2.09 0.00 3.81 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 2.20 2.10 0.00 67 Q 7.71 4.35 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.15 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 68 I 7.36 4.61 1.81 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 1.47 0.66 0.60 0.00 0.00 69 L 8.04 4.12 0.00 1.65 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.82 4.65 0.00 3.15 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.28 3.74 0.00 1.77 1.77 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.61 7.81 72 S 7.90 4.06 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.48 4.25 0.00 1.84 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 74 A 7.14 3.68 0.15 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 0.00 0.00 75 K 7.60 3.68 0.00 1.88 1.87 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 76 V 7.42 4.28 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.80 0.00 0.00 77 V 7.67 4.74 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 0.80 0.00 0.00 0.87 0.00 0.00 78 M 9.22 4.79 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 79 L 8.54 4.72 0.00 1.54 1.63 0.95 1.15 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 80 N 8.38 4.00 0.00 2.77 2.86 0.00 0.00 7.01 7.94 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 81 I 8.06 4.23 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 1.13 0.00 0.00 82 K 9.18 4.24 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 83 N 7.52 3.82 0.00 2.65 2.63 0.00 0.00 5.92 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 84 E 8.11 4.12 0.00 2.01 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 2.37 2.29 0.00 85 E 8.09 3.94 0.00 2.22 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 2.37 2.40 0.00 86 E 8.91 4.00 0.00 2.03 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 2.39 2.37 0.00 87 L 8.16 4.11 0.00 2.19 1.96 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.22 4.09 0.00 2.06 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.71 7.81 89 K 8.00 4.17 0.00 1.98 2.10 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.52 7.81 90 K 8.50 4.11 0.00 1.95 1.97 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.70 1.65 7.81 91 W 8.47 4.09 0.00 3.67 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 92 E 8.15 4.18 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 93 E 8.62 4.22 0.00 2.22 2.01 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 2.36 2.41 0.00 94 I 7.76 3.76 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.44 0.93 0.00 0.00 95 H 7.83 4.05 0.00 3.38 3.36 0.00 5.81 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 96 E 8.13 3.96 0.00 2.20 2.01 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 2.36 2.63 0.00 97 N 8.67 4.36 0.00 2.76 3.05 0.00 0.00 6.98 8.17 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 98 A 8.14 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.73 3.92 0.00 1.98 1.98 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 100 K 7.96 4.17 0.00 1.84 1.89 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.72 7.81 101 Y 7.78 4.35 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.37 4.53 0.00 1.94 1.83 0.00 3.24 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.94 0.00 103 P 0.00 4.35 0.00 2.18 2.29 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 104 D 7.90 4.72 0.00 2.80 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 0.00 105 A 7.86 4.20 1.33 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 0.00 106 E 9.93 4.17 0.00 1.99 2.01 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 2.32 2.30 0.00 107 I 8.21 4.52 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.88 0.00 0.00 108 L 8.83 4.20 0.00 1.80 1.91 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 G 6.99 3.98 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 0.00 0.00 0.00 110 V 8.52 4.69 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 0.89 0.00 0.00 0.18 0.00 0.00 111 L 9.12 4.61 0.00 1.79 1.52 0.89 0.83 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 0.00 112 V 9.13 4.81 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 0.90 0.00 0.00 1.11 0.00 0.00 113 A 8.73 5.20 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.79 0.00 2.11 2.06 0.00 3.76 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 1.98 2.00 0.00 115 M 8.47 4.43 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 116 L 8.43 4.27 0.00 1.92 1.90 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.64 4.10 0.00 1.68 1.66 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.42 1.38 7.81 118 P 0.00 3.44 0.00 1.93 1.76 0.00 3.81 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 1.90 1.89 0.00 119 G 6.55 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 0.00 120 R 8.57 4.11 0.00 1.95 1.97 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 121 E 8.88 4.95 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.45 0.00 122 V 8.82 4.96 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 1.07 0.00 0.00 123 I 8.67 4.89 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.88 0.00 0.00 124 I 8.61 4.84 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 1.40 0.94 0.96 0.00 0.00 125 G 8.97 4.52 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 0.00 126 V 9.18 5.66 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 0.87 0.00 0.00 0.94 0.00 0.00 127 T 8.54 5.08 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 1.18 0.00 0.00 128 E 8.59 4.91 0.00 1.75 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 0.00 2.05 1.98 0.00 129 D 9.33 4.73 0.00 2.82 2.70 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 0.00 0.00 0.00 130 P 0.00 4.26 0.00 2.06 2.08 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 131 Q 8.31 4.16 0.00 2.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 132 F 9.23 4.59 0.00 2.98 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 0.00 133 G 7.99 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 0.00 134 H 8.61 5.05 0.00 3.19 3.26 0.00 5.76 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 0.00 135 A 9.29 5.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.84 4.92 1.91 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 1.63 1.03 0.00 0.00 137 M 9.43 5.50 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 138 F 8.40 5.51 0.00 3.12 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 0.00 139 G 6.78 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 0.00 0.00 0.00 140 L 8.40 4.41 0.00 1.48 1.57 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.31 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 0.00 142 G 8.92 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 0.00 143 I 7.70 3.88 1.46 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.72 0.00 0.00 144 F 7.46 5.12 0.00 3.12 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 0.00 145 V 7.93 3.67 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 0.82 0.00 0.00 0.96 0.00 0.00 146 E 8.12 4.08 0.00 2.16 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 0.00 2.31 2.44 0.00 147 I 7.58 4.01 2.08 0.00 0.00 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 1.69 0.67 0.88 0.00 0.00 148 L 8.15 4.06 0.00 1.65 1.74 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.59 3.79 0.00 1.87 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 150 D 7.53 4.83 0.00 2.56 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 0.00 0.00 0.00 0.00 151 V 7.84 4.86 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 0.77 0.00 0.00 0.97 0.00 0.00 152 T 8.97 4.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 153 F 8.18 5.61 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.87 4.49 0.00 1.92 1.76 0.00 2.92 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 155 L 8.47 4.77 0.00 1.64 1.67 1.06 1.03 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 0.00 156 V 8.46 4.18 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 0.79 0.00 0.00 0.97 0.00 0.00 157 P 0.00 4.54 0.00 2.23 2.04 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 158 I 8.23 4.55 1.86 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 1.35 0.69 0.97 0.00 0.00 159 T 8.49 4.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 160 E 8.50 3.92 0.00 2.04 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 2.35 2.34 0.00 161 K 7.95 3.86 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 162 D 7.81 4.28 0.00 2.90 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 0.00 163 A 7.95 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.12 3.80 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 165 K 8.16 3.82 0.00 1.92 1.90 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.36 7.81 166 M 8.26 4.40 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 167 I 7.16 3.94 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.51 0.95 0.00 0.00 168 Q 7.48 3.32 0.00 1.82 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 1.72 2.45 0.00 169 E 8.11 4.12 0.00 2.04 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 2.26 2.50 0.00 170 I 7.32 4.15 2.14 0.00 0.00 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 1.92 1.05 1.08 0.00 0.00 171 K 9.35 3.92 0.00 1.76 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.58 7.81 172 A 8.44 4.40 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 0.00 173 Y 8.35 4.13 0.00 3.28 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 0.00 174 P 0.00 4.12 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 175 I 7.36 3.68 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 1.51 0.45 0.89 0.00 0.00 176 L 7.78 4.07 0.00 1.52 1.63 1.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.26 4.36 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 0.00 178 G 7.89 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 0.00 0.00 0.00 179 A 7.92 4.41 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *182 E 7.92 4.14 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 183 E 8.45 4.51 0.00 1.86 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 2.31 2.31 0.00 184 P 0.00 4.65 0.00 2.11 2.31 0.00 3.70 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 2.08 1.98 0.00 185 A 8.90 4.48 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 9.04 4.58 0.00 3.10 2.62 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 0.00 187 I 7.94 3.70 1.90 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 1.82 0.81 0.94 0.00 0.00 188 D 8.23 4.42 0.00 2.91 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 0.00 189 A 8.67 4.01 1.48 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 0.00 0.00 0.00 190 I 7.49 3.62 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 1.43 0.80 0.56 0.00 0.00 191 V 8.10 3.48 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 0.96 0.00 0.00 0.88 0.00 0.00 192 D 8.27 4.32 0.00 2.93 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 0.00 193 M 8.06 4.08 0.00 2.13 2.22 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 2.74 2.59 0.00 194 L 8.01 3.99 0.00 1.79 1.68 0.65 0.54 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 0.00 195 L 7.92 4.01 0.00 1.85 1.72 0.91 0.97 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 0.00 196 K 8.22 4.04 0.00 2.02 1.91 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.58 7.81 197 V 8.17 3.47 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 0.98 0.00 0.00 0.98 0.00 0.00 198 S 8.22 4.05 0.00 4.02 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 0.00 199 K 8.14 3.90 0.00 1.96 2.02 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.62 1.80 7.81 200 L 7.73 2.51 0.00 1.02 1.50 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 201 V 7.95 3.45 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 0.75 0.00 0.00 0.94 0.00 0.00 202 D 8.03 4.32 0.00 2.81 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 0.00 203 D 8.20 4.63 0.00 2.98 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 0.00 204 L 7.82 4.96 0.00 1.72 1.87 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 205 K 7.60 3.87 0.00 1.89 2.05 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.42 7.81 206 D 7.88 4.47 0.00 2.29 2.46 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 0.00 207 Y 8.28 4.46 0.00 3.14 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 0.00 208 I 7.63 4.49 1.86 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 1.31 0.56 0.94 0.00 0.00 209 K 9.07 4.38 0.00 1.76 1.98 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 210 E 7.68 5.01 0.00 2.16 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 2.26 2.30 0.00 211 M 8.82 4.90 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 212 D 8.39 4.94 0.00 2.86 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 0.00 213 L 8.71 4.72 0.00 1.53 1.57 0.92 0.48 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 0.00 214 N 8.66 4.80 0.00 2.64 2.73 0.00 0.00 7.22 7.84 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 0.00 215 P 0.00 4.70 0.00 1.94 2.18 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 216 V 7.98 4.60 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 0.00 217 F 9.05 5.57 0.00 2.67 2.41 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 0.00 218 V 8.63 4.34 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 0.99 0.00 0.00 0.97 0.00 0.00 219 Y 8.11 5.14 0.00 3.30 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 0.00 220 N 8.94 5.04 0.00 2.85 2.79 0.00 0.00 6.41 6.95 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 0.00 221 K 8.08 3.83 0.00 1.73 1.77 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.45 7.81 222 G 9.13 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 0.00 223 E 8.08 4.65 0.00 2.09 2.01 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 2.56 2.38 0.00 224 G 8.48 3.78 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 0.00 0.00 0.00 225 A 8.26 4.89 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 0.00 226 V 8.52 4.72 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 0.93 0.00 0.00 0.98 0.00 0.00 227 I 8.66 4.23 1.91 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 1.08 0.61 0.88 0.00 0.00 228 V 8.62 3.83 1.78 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 0.51 0.00 0.00 -0.06 0.00 0.00 229 D 7.55 4.93 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 S 8.15 5.09 0.00 3.84 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 0.00 231 R 8.64 4.75 0.00 1.86 1.90 0.00 2.73 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 232 I 8.22 5.02 1.82 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 1.31 0.67 0.89 0.00 0.00 233 I 8.89 4.74 1.87 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 1.21 1.09 0.91 0.00 0.00 234 L 9.24 4.96 0.00 1.55 1.64 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 235 K 9.06 4.62 0.00 1.71 1.73 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 236 P 0.00 4.28 0.00 2.18 2.06 0.00 3.90 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 1.98 1.95 0.00 237 K 8.61 4.16 0.00 1.91 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.