NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4702 8.3349 117.1003 57.2576 63.9639 176.7843 4 D 4.2415 8.9762 116.9767 54.3990 41.0595 174.4926 5 D 4.6774 9.0957 124.4993 57.2511 42.1442 176.3785 6 L 4.7358 7.8761 118.4244 53.9737 46.2454 174.6795 7 S 4.6152 8.2622 117.5515 57.5408 65.0078 173.6271 8 F 4.9391 8.0920 122.1472 55.1534 41.6118 173.4444 9 N 5.2147 8.2689 117.7475 52.4019 42.0433 173.4027 10 F 4.9763 9.3929 125.5903 55.9545 40.5174 176.1370 11 D 4.3917 8.9695 124.7058 56.6402 41.1263 176.2619 12 K 4.6518 7.4333 117.4411 55.7485 35.4570 174.1997 13 F 5.1442 8.9756 121.7398 55.8172 42.2805 175.1501 14 V 4.9053 8.8910 113.7678 58.4981 34.7144 174.3081 15 P 4.0364 0.0000 0.0000 64.6115 31.6933 176.0259 16 N 4.0332 8.6065 119.6977 54.2382 35.4155 174.8635 17 Q 4.2014 7.9311 119.4921 55.8506 29.9695 176.6726 18 K 4.0950 8.7978 125.5623 58.7963 32.5178 177.3218 19 N 4.6827 8.1164 115.4768 52.3338 37.5511 173.7007 20 I 4.7492 7.1620 118.8021 59.8545 40.3451 174.9306 21 I 4.1274 8.7017 128.3563 60.0473 38.4907 174.6831 22 F 5.0756 8.7046 126.4464 56.4024 40.1985 175.4814 23 Q 4.5606 9.1866 122.5121 54.1842 32.3811 175.9564 24 G 3.9542 8.8776 110.1063 47.4349 0.0000 174.3728 25 D 4.8191 9.2749 124.4106 54.0207 41.7774 175.8554 26 A 4.5504 8.0400 121.4116 52.4711 19.2768 176.9441 27 S 3.9962 8.3449 114.1985 57.9594 67.0443 174.9239 28 V 4.6931 7.8774 119.6629 59.4949 33.2141 175.9391 29 S 4.4581 8.5819 119.3542 57.6561 63.7721 175.1385 30 T 4.0412 8.2958 110.3291 64.1745 68.6201 175.2734 31 T 4.1654 7.9188 110.7370 61.7997 69.4765 175.0936 32 G 4.3073 8.4000 111.0634 45.2127 0.0000 172.9907 33 V 4.8783 7.3894 111.4404 59.0414 34.7766 175.2029 34 L 4.3674 8.4180 126.8571 54.7306 42.9195 175.8963 35 Q 4.8454 8.8235 127.9604 53.9178 28.5342 177.1033 36 V 3.8548 8.5511 118.5249 63.2281 32.7320 176.3692 37 T 4.8086 7.6967 116.1649 60.9521 71.2146 173.6135 38 K 4.1209 8.6183 126.9067 56.3951 32.7026 176.5437 39 V 4.6805 8.0336 119.7404 59.9668 33.0594 173.2376 40 S 4.1836 7.7487 126.0514 59.0476 69.5596 175.7032 *43 T 3.8044 7.9270 114.7431 61.6506 68.5940 172.3390 44 T 4.3591 7.6925 117.4171 61.1314 70.0647 172.8428 45 T 4.3018 8.2543 121.0995 64.2532 69.2253 173.8702 46 S 4.8664 8.8970 117.6411 58.0398 66.6687 173.1459 47 I 5.1232 8.4386 124.8990 59.9605 41.4723 174.2130 48 G 4.7814 8.8240 112.2526 45.3712 0.0000 171.8450 49 R 5.4246 9.2142 119.3376 54.3517 35.2968 174.2104 50 A 5.0131 9.4110 123.6518 50.3641 22.1431 175.1040 51 L 5.0879 8.5509 122.4040 52.7782 45.4210 175.5171 52 Y 4.5084 8.7497 123.1286 57.4074 39.2004 176.4036 53 A 3.9409 8.0657 128.7077 53.9944 19.0599 177.4786 54 A 4.4826 5.8000 117.9348 49.5099 20.8831 174.8987 55 P 4.7858 0.0000 0.0000 62.7532 32.5939 175.7813 56 I 4.7563 9.0617 121.9944 59.6153 40.9474 174.8792 57 Q 3.5061 8.3397 127.7020 55.1470 28.4854 175.0404 58 I 4.2394 8.5773 129.0672 62.7117 39.2331 175.1231 59 W 5.3893 7.4253 116.1017 55.4908 30.9139 173.1503 60 D 4.9557 9.1970 122.0584 52.6002 42.2922 177.3045 61 S 4.6755 8.7478 120.8964 60.8157 63.5927 175.8418 62 I 3.9058 7.8528 121.9771 64.4540 37.1230 177.2745 63 T 4.0719 8.1253 109.4402 62.4135 69.1541 176.1280 64 G 4.0897 8.3920 109.9200 44.8995 0.0000 173.8825 65 K 4.2284 7.7476 119.5618 56.6968 33.2063 176.1416 66 V 4.9213 8.3590 121.9824 61.1085 34.3824 174.5992 67 A 4.8281 9.0948 128.5684 51.4636 20.1189 176.9399 68 S 5.1366 8.8122 117.3013 57.3100 65.4219 173.4545 69 F 5.3804 8.5210 116.7784 55.4915 41.8052 173.0592 70 A 5.1529 8.6827 120.8701 50.7267 22.7023 175.0524 71 T 5.1397 9.1381 115.0862 60.6788 71.7877 172.5580 72 S 5.3613 9.6220 121.2093 56.8865 66.2779 172.5828 73 F 5.7756 8.6206 119.7824 56.5768 41.7401 172.9128 74 S 5.5243 8.6920 112.8528 56.9421 66.0187 173.3002 75 F 5.5347 8.8914 117.6463 55.5189 42.0667 173.3279 76 V 4.6707 9.2976 119.0712 61.2097 35.2449 174.4348 77 V 4.9651 8.7888 126.2931 60.2639 34.2153 173.6167 78 K 4.9315 9.1313 130.5254 54.7323 33.7352 174.7962 79 A 5.0616 8.8568 129.3774 50.9427 20.2874 176.8130 80 D 4.5252 8.8130 121.0425 57.4689 41.4836 177.2706 81 K 4.5394 7.7079 118.3971 55.8586 33.9001 176.6022 82 S 4.5778 8.6780 113.9057 60.4537 63.7062 173.4958 83 D 4.8664 7.8225 119.6735 53.1078 44.6332 174.0556 84 G 4.2053 7.8076 108.3176 44.4903 0.0000 171.9681 85 V 4.7068 8.0260 110.8905 58.7442 35.8034 175.4826 86 D 4.8648 10.6100 120.4384 53.9104 42.9195 177.0461 87 G 4.9295 7.1282 105.0129 43.5853 0.0000 170.8715 88 L 4.9876 8.2131 120.6933 53.3294 45.9579 175.1491 89 A 5.1181 8.9884 124.2223 50.4926 23.2707 174.6615 90 F 4.9682 9.3708 123.8649 56.4666 41.8902 174.6974 91 F 5.1336 7.4808 119.6897 55.3752 42.2423 172.9128 92 L 4.9629 9.0245 118.7213 52.9212 44.7924 175.9903 93 A 5.2314 8.7110 124.1967 49.2920 23.5479 173.1507 94 P 4.6489 0.0000 0.0000 62.5080 32.7139 176.2222 95 A 3.9274 8.1768 123.6625 53.2852 18.7881 177.4913 96 N 4.0885 8.9993 121.0274 54.0572 36.8398 175.0164 97 S 4.2131 7.7363 111.3761 58.5350 63.1625 172.9881 98 Q 4.6909 8.0908 124.1805 53.5730 31.3365 175.5094 99 I 3.7490 8.0184 120.6707 60.6281 37.5593 174.9140 100 P 4.3760 0.0000 0.0000 62.2453 31.8718 176.4597 101 S 4.1229 8.4186 117.9816 59.8435 63.2242 174.5306 102 G 3.8265 8.7484 112.1661 46.5104 0.0000 173.6409 103 S 4.5976 8.0006 113.0772 56.6568 63.4806 172.6633 104 S 4.9818 8.0368 117.2323 55.7700 66.2583 174.8176 105 A 3.9310 8.4800 123.0787 55.2421 18.1177 179.8992 106 G 3.6959 7.9336 102.6468 47.6199 0.0000 173.8405 107 M 4.3229 7.7577 118.9200 54.0980 32.4618 175.9682 108 F 4.0208 8.0594 115.9029 58.3479 37.2580 176.0316 109 G 4.2763 8.2261 104.5307 46.1423 0.0000 175.0583 110 L 3.9257 7.8264 120.9913 54.3764 42.6659 176.9603 111 F 4.9736 7.4167 115.5195 55.5119 42.3422 175.6726 112 S 4.3211 8.7530 117.5519 60.3880 62.7218 173.4047 113 S 4.4905 7.5399 112.1173 57.8180 64.9355 173.6420 114 S 4.0357 8.3115 114.0067 58.3118 63.0918 173.8370 115 D 4.5264 7.3188 120.5868 54.4839 41.3398 176.7901 116 S 4.7120 7.9381 115.6947 55.9037 61.3658 171.8575 117 K 4.3981 7.7698 123.2369 54.5967 33.1192 178.2617 118 S 4.5087 8.6206 118.2603 60.3751 63.3010 175.9007 119 S 4.2034 7.9260 114.7115 60.0892 63.4638 175.0766 120 N 4.3665 8.1147 119.1068 55.2821 38.7971 175.3568 121 Q 3.6399 7.4579 114.7156 57.3424 26.9150 173.8584 122 I 4.9354 7.3664 116.6765 59.5936 41.8417 176.2049 123 I 5.1861 8.6438 126.3643 59.5643 40.4835 174.4690 124 A 5.1834 9.3186 127.6309 50.4328 23.4047 174.9061 125 V 4.7300 9.2255 120.6741 61.1962 33.7872 174.3534 126 E 4.5775 8.8177 126.9152 54.8403 32.3652 175.1588 127 F 4.7916 8.8701 121.1541 55.4724 39.9419 171.8087 128 D 5.3005 9.0480 121.9133 53.9600 41.6396 176.2094 129 T 4.4223 9.1591 116.9030 62.5035 70.3794 173.8765 130 Y 4.6676 8.3540 124.7264 55.7709 40.4228 175.3249 131 F 4.8710 7.3480 120.5779 55.9389 38.9953 174.9469 132 G 3.2292 5.3800 109.9594 45.2972 0.0000 175.3328 133 K 3.7899 8.4277 123.7927 58.8232 32.5217 178.4242 134 A 3.8729 7.9367 121.2531 55.0091 18.2959 177.8556 135 Y 4.6567 7.7239 110.1048 58.4335 40.1342 175.9606 136 N 3.1400 7.9601 117.2101 50.0628 38.5515 173.4193 137 P 4.0974 0.0000 0.0000 64.8546 32.0237 178.6603 138 W 4.3281 7.0308 114.8234 58.3328 28.5863 176.2393 139 D 4.5983 7.0808 119.3043 52.9583 40.9382 174.2694 140 P 4.3255 0.0000 0.0000 62.1888 32.5256 175.1876 141 D 4.4936 7.4351 116.6870 53.6437 40.8130 176.1809 142 F 3.5539 5.5728 110.5325 55.1894 40.2653 173.5421 143 K 4.7257 8.2037 121.4334 57.2890 33.2201 175.8588 144 H 5.8672 9.4520 118.5618 54.9696 33.1323 171.7407 145 I 4.7290 8.9749 119.4796 59.5045 39.2933 175.5075 146 G 4.4613 8.7638 113.1812 44.4784 0.0000 171.5823 147 I 4.8041 8.6353 123.0895 59.7723 38.9489 174.3380 148 D 5.1653 9.4055 128.4717 52.7041 43.3016 176.1273 149 V 4.4862 8.0046 122.5060 61.4481 33.7784 174.7244 150 N 4.3888 9.8296 124.0848 53.5768 36.9124 174.0671 151 S 3.6454 7.1297 109.4522 56.8897 65.4388 174.6501 152 I 3.4080 6.8874 124.8399 62.3428 37.8863 175.9553 153 K 4.2194 7.0377 121.1514 54.8011 30.8074 175.8658 154 S 4.4389 8.5715 121.7610 58.9688 63.2420 175.5004 155 I 3.9563 8.3172 117.5717 63.0613 38.0531 176.0877 156 K 4.6790 7.5544 121.0518 55.6297 35.3465 174.2079 157 T 5.5714 8.5729 116.3101 60.2954 72.6972 172.9949 158 V 4.6741 8.6242 119.8835 59.7909 35.1361 173.9675 159 K 4.1495 8.6936 124.6432 56.7279 32.6742 175.4487 160 W 4.9769 9.2483 135.0000 55.6007 31.8015 176.4741 161 D 4.6897 8.8234 130.9908 52.4540 38.8751 176.0104 162 W 3.9014 7.2698 129.0134 56.6519 31.8505 175.0868 163 R 3.6041 7.3403 123.5998 53.3935 31.2029 174.7974 164 N 3.6860 7.1972 122.1791 54.5305 38.9519 174.9757 165 G 3.9374 8.6893 113.5079 45.8476 0.0000 172.9537 166 E 4.4395 7.4398 118.4921 54.8140 30.8419 175.9803 167 V 4.0686 8.3065 122.1318 62.7546 32.5575 174.8284 168 A 4.3414 8.5271 129.8647 50.0480 21.5654 174.7205 169 D 5.0337 8.7012 122.7485 52.6362 43.1995 175.8007 170 V 4.7561 8.5708 123.4248 60.8620 34.9079 174.2852 171 V 4.8248 8.6450 126.5830 61.1761 34.5197 173.9550 172 I 5.1317 9.0322 129.3067 59.6671 40.0654 174.7239 173 T 4.8993 8.7774 116.7380 59.8590 71.8040 172.4049 174 Y 4.6933 8.5899 124.8574 56.0023 41.6958 174.5206 175 R 4.0765 8.0118 127.2881 54.3842 30.9348 177.2081 176 A 3.7196 8.6585 129.1137 54.4815 18.6217 177.9068 177 P 4.2035 0.0000 0.0000 65.4446 31.1173 176.9810 178 T 4.2636 7.6031 105.4740 60.2219 69.4653 174.1188 179 K 3.7140 7.3822 120.2151 56.4207 30.5813 173.8482 180 S 4.9531 7.3072 113.1466 56.7522 64.3083 172.2485 181 L 5.2312 8.9720 129.7375 53.7950 44.2015 174.8727 182 T 5.1199 8.8479 123.3320 61.6827 72.0031 173.2710 183 V 4.6571 8.9754 126.1606 61.1822 34.2952 173.6626 184 C 4.7903 9.1946 128.8424 57.6725 33.7804 171.9966 185 L 5.3017 8.8939 129.2228 53.3229 44.7600 175.2420 186 S 5.1047 8.6597 118.9215 57.3023 67.0030 172.6822 187 Y 4.9665 8.9970 120.9524 55.6878 38.6627 174.8570 188 P 4.2688 0.0000 0.0000 65.5024 31.6868 178.8391 189 S 4.1717 8.2818 113.0870 60.7857 62.7675 174.5040 190 D 4.6293 7.5354 112.7041 52.1199 40.5420 176.2693 191 G 3.9712 8.4984 108.1999 45.6175 0.0000 174.1443 192 T 4.1360 8.1738 117.9259 64.0358 69.3728 173.6099 193 S 5.3061 8.7217 121.1577 56.9903 66.9994 173.1291 194 N 5.2816 9.4887 120.4118 51.7427 42.7048 173.2700 195 I 5.1434 8.2387 120.5249 60.0037 41.7476 173.7920 196 I 4.6950 8.3666 125.9637 60.2289 41.6969 173.3224 197 T 5.3421 8.4857 117.6499 60.3310 71.9958 172.5710 198 A 4.7436 8.8398 123.2560 50.9614 23.3968 175.1457 199 S 5.0438 8.5613 115.6899 57.6926 64.1504 174.3681 200 V 4.3818 8.8420 124.5957 61.5739 34.9397 173.8951 201 D 4.7643 8.7804 127.7616 52.4867 40.9668 176.3464 202 L 3.9361 8.5600 127.9622 57.6535 41.8674 179.9771 203 K 2.5325 7.9373 117.6796 58.4990 32.1040 177.3053 204 A 4.1324 7.4470 120.4359 53.5184 19.0532 177.9930 205 I 4.2208 7.6509 114.9300 62.3878 38.6509 175.9718 206 L 4.7547 7.8744 118.7263 52.1806 43.4395 174.4204 207 P 4.8980 0.0000 0.0000 62.0917 32.7058 176.1038 208 E 2.9376 8.4424 117.2248 58.2954 30.4296 177.3429 209 W 5.0894 8.0206 119.3800 55.0138 31.5622 175.8851 210 V 5.0977 9.0057 117.2985 59.7242 36.1166 174.4783 211 S 5.0344 8.9756 117.8279 56.9219 65.8990 173.9547 212 V 4.2203 7.8842 116.0900 59.5024 35.0170 176.0802 213 G 3.5358 5.6953 108.2980 45.5852 0.0000 171.7247 214 F 5.4045 7.7185 117.5441 55.7606 42.6347 174.8688 215 S 5.1468 9.0606 115.3604 57.4154 67.1902 172.6725 216 G 4.3075 8.7724 106.8634 46.4858 0.0000 172.1586 217 G 4.4769 8.1530 105.1426 45.3275 0.0000 173.2210 218 V 4.8479 8.9997 121.6565 60.9223 33.1966 176.3487 219 G 3.3948 9.3775 118.3362 46.8572 0.0000 171.7164 220 N 4.6767 7.7602 117.4266 51.2780 40.6621 174.3222 221 A 4.0640 8.8210 129.4832 55.0697 18.5991 178.2182 222 A 4.2017 7.9779 117.3056 54.1113 19.4383 177.3204 223 E 4.8066 8.0966 115.8002 55.4203 30.2501 175.7750 224 F 4.7340 7.9181 121.8928 58.7381 40.9578 174.1853 225 E 4.8683 7.0909 120.3205 55.4423 32.5685 174.3867 226 T 3.9859 8.2792 111.8332 61.2596 71.3779 173.8174 227 H 5.2556 8.1626 117.4206 54.3879 29.8310 171.0261 228 D 5.3174 9.0390 120.3683 52.7499 43.5359 176.3268 229 V 4.3821 8.4619 117.3340 59.8835 33.1229 176.8557 230 L 4.5543 9.3387 126.9637 57.3724 42.3912 177.1356 231 S 4.9750 8.2267 111.0440 57.3453 66.9927 173.2774 232 W 5.9874 9.5098 130.2616 56.8652 34.4583 172.5103 233 Y 5.0461 10.1013 128.4851 55.8803 41.7102 173.9006 234 F 4.5074 6.9271 126.4942 56.9315 43.3703 173.0289 235 T 4.8153 7.1914 120.9025 61.9809 73.1868 172.9645 236 S 5.0674 8.6274 118.4551 57.1791 67.2589 172.5110 237 N 5.2155 8.9956 119.8632 52.5167 42.7162 173.3583 238 L 4.4044 9.1273 129.9078 54.7908 42.1526 177.5249 *239 E 4.1515 8.7009 119.0562 56.1114 30.3597 171.9641 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 S 8.33 4.47 0.00 3.65 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 4 D 8.98 4.24 0.00 2.70 2.63 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 5 D 9.10 4.68 0.00 2.77 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 6 L 7.88 4.74 0.00 1.78 1.52 1.05 1.43 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 7 S 8.26 4.62 0.00 3.78 3.64 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 8 F 8.09 4.94 0.00 2.47 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 9 N 8.27 5.21 0.00 2.88 2.70 0.00 0.00 6.84 7.02 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 10 F 9.39 4.98 0.00 2.80 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 11 D 8.97 4.39 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.43 4.65 0.00 1.76 1.66 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 13 F 8.98 5.14 0.00 3.20 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 14 V 8.89 4.91 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 0.77 0.00 0.00 1.04 0.00 0.00 15 P 0.00 4.04 0.00 2.16 2.09 0.00 3.97 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 2.02 2.03 0.00 16 N 8.61 4.03 0.00 2.87 2.92 0.00 0.00 7.05 7.69 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 17 Q 7.93 4.20 0.00 2.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 18 K 8.80 4.10 0.00 1.79 1.86 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 19 N 8.12 4.68 0.00 2.87 3.02 0.00 0.00 6.05 7.57 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 20 I 7.16 4.75 1.38 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 1.07 0.85 0.04 0.00 0.00 21 I 8.70 4.13 1.75 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 1.13 0.47 0.87 0.00 0.00 22 F 8.70 5.08 0.00 2.92 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 23 Q 9.19 4.56 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.60 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 24 G 8.88 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 25 D 9.27 4.82 0.00 2.63 2.71 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 26 A 8.04 4.55 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 27 S 8.34 4.00 0.00 3.60 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 28 V 7.88 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 0.88 0.00 0.00 1.09 0.00 0.00 29 S 8.58 4.46 0.00 4.06 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 0.00 30 T 8.30 4.04 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 1.22 0.00 0.00 31 T 7.92 4.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 32 G 8.40 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 0.00 0.00 0.00 0.00 33 V 7.39 4.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 34 L 8.42 4.37 0.00 0.49 1.06 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.82 4.85 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.18 0.00 36 V 8.55 3.85 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 0.74 0.00 0.00 0.94 0.00 0.00 37 T 7.70 4.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 38 K 8.62 4.12 0.00 1.78 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.44 7.81 39 V 8.03 4.68 2.31 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 1.02 0.00 0.00 1.04 0.00 0.00 40 S 7.75 4.18 0.00 3.86 3.68 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 *43 T 7.93 3.80 3.49 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 0.97 0.00 0.00 44 T 7.69 4.36 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 45 T 8.25 4.30 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 1.23 0.00 0.00 46 S 8.90 4.87 0.00 3.92 3.72 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 47 I 8.44 5.12 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.89 0.00 0.00 48 G 8.82 4.78 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 49 R 9.21 5.42 0.00 1.89 1.91 0.00 2.74 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 50 A 9.41 5.01 1.09 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 0.00 0.00 51 L 8.55 5.09 0.00 1.48 1.44 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.75 4.51 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 53 A 8.07 3.94 0.97 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 0.00 0.00 54 A 5.80 4.48 1.15 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 55 P 0.00 4.79 0.00 2.06 2.14 0.00 3.56 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 1.92 2.08 0.00 56 I 9.06 4.76 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.12 0.99 0.00 0.00 57 Q 8.34 3.51 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.07 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 58 I 8.58 4.24 1.86 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 1.33 1.37 1.12 0.00 0.00 59 W 7.43 5.39 0.00 3.55 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 60 D 9.20 4.96 0.00 2.74 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 61 S 8.75 4.68 0.00 4.15 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 62 I 7.85 3.91 2.10 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 1.49 0.55 0.94 0.00 0.00 63 T 8.13 4.07 4.27 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 1.29 0.00 0.00 64 G 8.39 4.09 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 0.00 0.00 0.00 65 K 7.75 4.23 0.00 1.75 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 66 V 8.36 4.92 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 67 A 9.09 4.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.81 5.14 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.52 5.38 0.00 2.85 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.68 5.15 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.14 5.14 4.54 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 1.09 0.00 0.00 72 S 9.62 5.36 0.00 3.99 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 73 F 8.62 5.78 0.00 3.44 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.69 5.52 0.00 3.93 3.81 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 75 F 8.89 5.53 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 9.30 4.67 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 77 V 8.79 4.97 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 1.37 0.00 0.00 1.51 0.00 0.00 78 K 9.13 4.93 0.00 1.95 1.74 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 79 A 8.86 5.06 1.47 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 0.00 0.00 80 D 8.81 4.53 0.00 2.87 2.84 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 81 K 7.71 4.54 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 82 S 8.68 4.58 0.00 4.07 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 83 D 7.82 4.87 0.00 2.67 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 84 G 7.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.03 4.71 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 0.77 0.00 0.00 0.88 0.00 0.00 86 D 10.61 4.86 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.13 4.93 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 0.00 0.00 0.00 88 L 8.21 4.99 0.00 1.73 1.36 0.85 0.21 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 89 A 8.99 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.37 4.97 0.00 3.07 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 91 F 7.48 5.13 0.00 2.99 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 92 L 9.02 4.96 0.00 1.53 1.46 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.71 5.23 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 94 P 0.00 4.65 0.00 2.10 2.02 0.00 3.64 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 95 A 8.18 3.93 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 96 N 9.00 4.09 0.00 2.82 2.87 0.00 0.00 7.01 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.74 4.21 0.00 3.94 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 98 Q 8.09 4.69 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 99 I 8.02 3.75 1.84 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 0.44 0.90 0.00 0.00 100 P 0.00 4.38 0.00 1.98 1.94 0.00 3.61 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 2.04 2.00 0.00 101 S 8.42 4.12 0.00 3.85 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 0.00 102 G 8.75 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 0.00 103 S 8.00 4.60 0.00 3.96 3.68 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 0.00 104 S 8.04 4.98 0.00 3.93 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 0.00 105 A 8.48 3.93 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 G 7.93 3.70 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 0.00 0.00 0.00 107 M 7.76 4.32 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.22 0.00 108 F 8.06 4.02 0.00 3.14 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 0.00 109 G 8.23 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 0.00 0.00 0.00 0.00 110 L 7.83 3.93 0.00 0.95 0.48 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 F 7.42 4.97 0.00 2.89 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 0.00 112 S 8.75 4.32 0.00 3.84 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 0.00 113 S 7.54 4.49 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 0.00 114 S 8.31 4.04 0.00 3.73 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 0.00 115 D 7.32 4.53 0.00 2.66 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 0.00 116 S 7.94 4.71 0.00 3.71 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 0.00 117 K 7.77 4.40 0.00 2.02 1.72 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 118 S 8.62 4.51 0.00 4.02 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 0.00 119 S 7.93 4.20 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.11 4.37 0.00 2.97 3.08 0.00 0.00 7.08 7.82 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 0.00 121 Q 7.46 3.64 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 122 I 7.37 4.94 1.89 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 1.27 0.96 0.75 0.00 0.00 123 I 8.64 5.19 1.91 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 1.21 0.88 0.99 0.00 0.00 124 A 9.32 5.18 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 0.00 125 V 9.23 4.73 2.31 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 0.85 0.00 0.00 1.12 0.00 0.00 126 E 8.82 4.58 0.00 1.73 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 2.33 2.27 0.00 127 F 8.87 4.79 0.00 2.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.05 5.30 0.00 3.02 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.16 4.42 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 1.14 0.00 0.00 130 Y 8.35 4.67 0.00 2.99 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 0.00 131 F 7.35 4.87 0.00 3.12 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 0.00 132 G 5.38 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 0.00 0.00 0.00 133 K 8.43 3.79 0.00 1.62 1.76 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 134 A 7.94 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.72 4.66 0.00 3.20 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 0.00 136 N 7.96 3.14 0.00 2.39 2.05 0.00 0.00 6.58 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.10 0.00 2.11 2.05 0.00 2.84 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 138 W 7.03 4.33 0.00 3.39 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.08 4.60 0.00 2.69 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 0.00 140 P 0.00 4.33 0.00 0.79 1.67 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.00 141 D 7.44 4.49 0.00 2.60 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 0.00 142 F 5.57 3.55 0.00 2.85 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 0.00 143 K 8.20 4.73 0.00 2.01 1.94 0.00 1.73 0.00 0.00 1.50 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.91 1.72 7.81 144 H 9.45 5.87 0.00 3.56 3.82 0.00 5.22 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.97 4.73 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 0.83 1.00 0.60 0.00 0.00 146 G 8.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.64 4.80 1.91 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 1.26 1.30 0.97 0.00 0.00 148 D 9.41 5.17 0.00 2.68 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 0.00 149 V 8.00 4.49 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 1.05 0.00 0.00 0.97 0.00 0.00 150 N 9.83 4.39 0.00 2.97 3.06 0.00 0.00 6.20 7.76 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 0.00 151 S 7.13 3.65 0.00 3.66 3.46 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 0.00 152 I 6.89 3.41 1.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.32 -0.66 0.00 0.00 153 K 7.04 4.22 0.00 1.67 1.61 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.50 7.81 154 S 8.57 4.44 0.00 3.96 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 0.00 155 I 8.32 3.96 1.89 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 1.46 0.56 0.92 0.00 0.00 156 K 7.55 4.68 0.00 1.85 1.67 0.00 1.69 0.00 0.00 2.04 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 157 T 8.57 5.57 4.42 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 1.29 0.00 0.00 158 V 8.62 4.67 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 0.79 0.00 0.00 1.03 0.00 0.00 159 K 8.69 4.15 0.00 0.88 1.53 0.00 1.65 0.00 0.00 0.92 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.45 7.81 160 W 9.25 4.98 0.00 3.39 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.82 4.69 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 W 7.27 3.90 0.00 1.78 2.51 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 0.00 163 R 7.34 3.60 0.00 0.67 1.11 0.00 2.93 0.00 0.00 2.78 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.52 0.00 164 N 7.20 3.69 0.00 1.77 2.35 0.00 0.00 7.25 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 0.00 165 G 8.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 7.44 4.44 0.00 1.78 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 2.20 2.12 0.00 167 V 8.31 4.07 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 0.73 0.00 0.00 0.96 0.00 0.00 168 A 8.53 4.34 0.22 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 0.00 169 D 8.70 5.03 0.00 2.47 2.50 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 0.00 170 V 8.57 4.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.73 0.00 0.00 171 V 8.64 4.82 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 1.00 0.00 0.00 0.88 0.00 0.00 172 I 9.03 5.13 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 1.13 0.00 0.00 173 T 8.78 4.90 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 1.16 0.00 0.00 174 Y 8.59 4.69 0.00 2.09 1.58 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 0.00 175 R 8.01 4.08 0.00 1.53 1.66 0.00 3.07 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 176 A 8.66 3.72 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 0.00 177 P 0.00 4.20 0.00 2.12 2.16 0.00 3.50 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 178 T 7.60 4.26 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 179 K 7.38 3.71 0.00 2.00 2.10 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.29 7.81 180 S 7.31 4.95 0.00 3.77 3.57 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 0.00 181 L 8.97 5.23 0.00 2.04 1.75 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 182 T 8.85 5.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 183 V 8.98 4.66 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 1.02 0.00 0.00 0.97 0.00 0.00 184 C 9.19 4.79 0.00 3.03 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 0.00 185 L 8.89 5.30 0.00 1.80 1.66 0.96 0.81 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 0.00 186 S 8.66 5.10 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 9.00 4.97 0.00 3.00 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 0.00 188 P 0.00 4.27 0.00 2.22 2.32 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 189 S 8.28 4.17 0.00 3.98 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 0.00 190 D 7.54 4.63 0.00 2.78 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 0.00 191 G 8.50 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 0.00 0.00 0.00 192 T 8.17 4.14 4.49 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 1.36 0.00 0.00 193 S 8.72 5.31 0.00 3.73 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 0.00 194 N 9.49 5.28 0.00 2.76 2.81 0.00 0.00 6.23 6.87 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 0.00 195 I 8.24 5.14 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 1.25 1.00 0.94 0.00 0.00 196 I 8.37 4.69 1.92 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 1.32 0.85 0.93 0.00 0.00 197 T 8.49 5.34 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 1.21 0.00 0.00 198 A 8.84 4.74 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 0.00 199 S 8.56 5.04 0.00 3.78 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 0.00 200 V 8.84 4.38 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 0.73 0.00 0.00 1.01 0.00 0.00 201 D 8.78 4.76 0.00 2.79 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 0.00 202 L 8.56 3.94 0.00 1.73 1.71 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 203 K 7.94 2.53 0.00 1.17 1.57 0.00 1.41 0.00 0.00 1.24 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.21 7.81 204 A 7.45 4.13 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 0.00 205 I 7.65 4.22 1.88 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 1.43 0.55 0.99 0.00 0.00 206 L 7.87 4.75 0.00 1.77 1.69 0.94 1.06 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 0.00 207 P 0.00 4.90 0.00 2.24 2.16 0.00 3.87 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 2.19 2.05 0.00 208 E 8.44 2.94 0.00 1.56 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 1.47 1.47 0.00 209 W 8.02 5.09 0.00 3.23 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 0.00 210 V 9.01 5.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 211 S 8.98 5.03 0.00 3.67 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 0.00 212 V 7.88 4.22 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 0.45 0.00 0.00 0.60 0.00 0.00 213 G 5.70 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 F 7.72 5.40 0.00 2.70 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 0.00 215 S 9.06 5.15 0.00 3.84 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 0.00 216 G 8.77 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 0.00 0.00 0.00 0.00 217 G 8.15 4.48 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 0.00 218 V 9.00 4.85 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 1.16 0.00 0.00 1.02 0.00 0.00 219 G 9.38 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 0.00 0.00 0.00 220 N 7.76 4.68 0.00 2.53 2.52 0.00 0.00 7.10 7.69 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 0.00 221 A 8.82 4.06 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 0.00 222 A 7.98 4.20 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 0.00 223 E 8.10 4.81 0.00 1.98 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 2.23 2.31 0.00 224 F 7.92 4.73 0.00 3.34 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 0.00 225 E 7.09 4.87 0.00 2.01 1.85 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 2.29 1.91 0.00 226 T 8.28 3.99 4.54 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 1.29 0.00 0.00 227 H 8.16 5.26 0.00 3.06 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 D 9.04 5.32 0.00 2.70 2.63 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 0.00 229 V 8.46 4.38 1.59 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 -0.03 0.00 0.00 0.52 0.00 0.00 230 L 9.34 4.55 0.00 1.75 1.87 1.03 0.83 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 0.00 231 S 8.23 4.98 0.00 4.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 W 9.51 5.99 0.00 3.96 3.72 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 0.00 233 Y 10.10 5.05 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 6.93 4.51 0.00 2.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 T 7.19 4.82 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 236 S 8.63 5.07 0.00 3.96 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 0.00 237 N 9.00 5.22 0.00 2.77 2.64 0.00 0.00 7.28 6.15 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 0.00 238 L 9.13 4.40 0.00 1.79 1.62 0.83 1.18 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 *239 E 8.70 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.