NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 G 4.0576 8.3544 109.7503 45.0657 0.0000 173.7243 15 S 4.5194 7.7401 114.3651 53.9590 65.6192 173.1682 16 S 4.4466 8.8957 120.5014 60.9553 63.8947 175.6664 17 K 3.5449 7.4128 121.4281 58.9918 31.6657 176.9366 18 F 4.7885 7.4550 114.0844 57.0832 39.4745 175.7818 19 D 4.4353 7.8830 121.5220 54.7654 41.0578 177.3076 20 V 3.8882 8.2017 116.8273 60.3990 32.5695 174.2210 21 P 4.3779 0.0000 0.0000 62.9334 32.5306 174.8741 22 E 4.7922 8.6943 124.7373 55.2087 30.6559 174.9707 23 I 4.5548 9.2449 129.4399 59.7759 39.8078 174.1833 24 E 4.9944 8.9619 127.5822 54.3395 31.9356 174.0375 25 L 5.0005 8.9934 129.6487 53.3895 44.4147 174.9867 26 I 4.7171 8.6311 128.7389 60.5648 38.5615 175.1963 27 I 4.9496 9.0387 120.0658 58.6497 41.5093 174.7387 28 K 4.6865 8.5119 122.2909 56.2765 33.1032 176.6462 29 A 4.6832 8.7785 126.9153 51.1716 19.7152 177.0554 30 S 4.1454 9.0117 114.7784 59.4374 63.1408 175.3946 31 T 4.3292 8.6607 114.9597 62.4173 69.5144 175.5983 32 I 4.0700 7.8968 123.7164 63.4776 37.5794 176.4418 33 D 4.7327 7.8908 115.1218 52.0279 40.5195 176.8762 34 G 3.9774 8.2729 107.6550 46.0953 0.0000 174.1375 35 R 4.4477 9.3626 118.5323 57.4249 32.7180 176.8551 36 R 4.3350 8.2174 115.8377 55.5364 31.3457 176.6165 37 K 4.1871 8.8015 120.9411 57.8871 33.2145 177.1271 38 G 4.0839 8.4937 109.5699 45.0331 0.0000 174.0243 39 A 4.6867 8.2543 125.4895 51.8887 19.5801 177.0378 40 C 4.1956 7.8544 119.4766 60.5762 32.7306 174.3708 41 L 3.7257 8.2955 128.0467 57.6212 41.2475 179.5519 42 F 3.4584 7.7126 117.2675 60.4503 38.8818 177.1074 43 C 4.1417 8.1288 115.8456 63.1062 27.9293 175.9851 44 Q 3.8969 7.9174 120.8899 58.8599 28.6004 177.6586 45 E 4.1011 7.8780 121.7750 59.1362 29.6387 178.5701 46 Y 4.5702 7.5938 116.5681 60.6851 37.8761 177.7554 47 F 4.2605 8.6999 122.2566 61.7727 39.4802 177.1021 48 M 4.0967 8.5375 118.5027 58.5156 31.8974 178.3958 49 D 4.3955 8.3171 118.9211 57.6411 40.9918 179.0885 50 L 4.1130 8.3461 119.4189 57.7377 41.5914 178.8602 51 Y 3.9247 8.4899 119.7636 60.7475 38.6500 178.1908 52 L 4.1593 8.1861 119.8958 57.9298 41.7564 179.5941 53 L 4.0129 7.9007 118.3778 57.6145 41.5049 179.3986 54 A 4.2134 8.2209 122.5051 54.4206 18.0812 179.3468 55 E 3.8310 8.2214 116.8142 59.4865 29.6398 178.8198 56 L 4.2575 7.4029 115.9053 54.1499 41.8538 176.9937 57 K 3.9523 7.7703 117.4995 57.5780 30.1215 176.6991 58 T 4.1672 7.7045 110.2231 63.4563 69.3973 173.7164 59 I 4.7952 7.2856 114.4815 59.7599 41.8411 173.1792 60 S 4.7646 9.3574 116.7732 56.2866 64.8543 172.1432 61 L 5.1646 8.4705 128.3708 53.0668 44.2173 174.9835 62 K 4.4867 9.0921 127.7711 54.5647 34.8958 174.4940 63 V 4.5536 8.3551 127.4701 61.5140 33.1907 174.5670 64 T 4.5708 8.7865 125.4377 62.1734 70.7414 173.4527 65 T 4.9814 8.5510 123.7132 62.0653 70.1269 174.4528 66 V 4.4262 8.7829 126.5233 59.7380 34.6802 174.5324 67 D 4.7888 8.6181 124.0595 53.6125 41.1713 176.7024 68 M 4.2329 8.6736 126.8290 57.4953 32.2401 177.1307 69 Q 4.4943 7.8993 116.1134 55.8082 29.9479 176.0292 70 K 4.6623 7.6150 116.3269 54.5020 32.9333 174.6319 71 P 4.4850 0.0000 0.0000 61.7106 32.4172 175.6755 72 P 4.3735 0.0000 0.0000 64.5774 32.1036 176.7450 *78 N 4.4828 8.0768 115.6914 52.5645 40.0177 175.0624 79 F 4.9725 7.3714 114.2457 56.3371 43.0892 177.6809 80 E 3.7686 8.2393 118.2021 57.8157 27.1245 174.9760 81 A 4.4046 9.0477 130.0079 53.1191 19.2040 177.7547 82 T 4.2909 7.1959 112.0770 61.5039 68.1705 174.1934 83 H 4.5233 8.5638 125.6471 54.3859 29.8347 173.3560 84 P 4.5062 0.0000 0.0000 62.3482 31.8953 174.3227 85 P 5.3971 0.0000 0.0000 62.3910 32.7755 175.5341 86 I 4.6631 8.0186 120.3574 59.4798 41.5208 173.7301 87 L 4.9636 8.6448 128.5177 53.2980 44.4600 174.8370 88 I 4.8317 8.8768 127.5179 59.6259 40.1640 174.1052 89 D 4.7333 8.9516 127.8358 51.9916 42.8847 174.6548 90 N 4.1248 9.6133 125.3832 54.4686 36.9126 174.5458 91 G 3.9991 7.9452 105.8853 45.4995 0.0000 171.6421 92 L 4.1515 7.6250 122.2326 54.0316 42.6246 174.9814 93 A 4.9730 8.5150 129.0272 50.4261 20.7148 175.5324 94 I 4.1782 8.8224 125.2709 60.4465 37.9933 176.5737 95 L 4.3244 8.4387 124.9799 55.6115 43.6276 177.4232 96 E 4.3622 7.7503 118.0133 55.1104 31.6091 176.8285 97 N 4.3326 8.6156 121.2056 56.6551 38.7807 177.1841 98 E 3.9919 8.1537 119.9503 59.2702 29.6694 178.8418 99 K 3.9946 7.8960 118.0399 58.9300 32.1499 179.1756 100 I 3.4826 7.6807 120.3086 64.2656 36.9070 177.9866 101 E 3.6498 7.6865 119.1602 59.4861 29.2764 179.3831 102 R 3.5482 7.5868 118.2901 59.6668 29.9832 177.9927 103 H 3.9195 8.4250 118.2519 59.1531 29.7570 177.2776 104 I 3.5819 7.6674 121.7702 64.4962 36.7200 178.1179 105 M 3.6242 7.2535 117.8445 58.2661 32.0320 177.8091 106 K 3.7018 7.5365 116.8435 57.6834 32.7894 177.4126 107 N 4.6943 8.0662 114.2158 52.8897 40.2536 174.6124 108 I 4.3335 7.2227 120.1690 58.2714 38.7061 173.2239 109 P 4.3927 0.0000 0.0000 64.7043 31.3516 176.3696 110 G 4.0730 9.1364 110.1569 45.6389 0.0000 175.7318 111 G 3.8729 8.2913 108.2290 47.6132 0.0000 175.4404 112 Y 4.1187 7.9487 117.7125 60.9980 38.0464 178.0960 113 N 4.5679 8.2805 115.9051 56.0045 38.8810 176.6950 114 L 4.1219 7.7780 122.1177 56.9446 43.3422 176.9069 115 F 4.1028 8.0702 119.1399 55.3376 37.4421 175.6691 116 V 3.6746 7.3013 120.9047 63.2281 32.3554 175.3224 117 Q 4.5072 8.6150 125.1300 55.2982 28.8992 175.9386 118 D 4.6678 8.5037 123.1975 51.8852 42.2068 175.3332 119 K 4.0376 8.4977 125.5514 58.6263 32.1180 178.0647 120 E 3.8357 8.1683 119.4021 59.3620 29.6482 179.0186 121 V 3.2026 8.2228 118.1995 65.6246 31.3952 177.5189 122 A 3.7014 7.1952 120.4620 55.7389 17.9608 179.8754 123 T 3.8190 7.7320 112.7318 66.3069 68.5411 176.3118 124 L 4.0204 7.7683 122.1662 57.9635 42.1867 178.5017 125 I 4.1494 7.4543 110.4036 60.0817 38.2804 175.1681 126 E 3.8772 7.2549 122.3887 58.0678 28.9978 176.1709 127 N 4.4187 9.0932 120.5862 54.3270 36.3651 175.9069 128 L 3.9999 7.7329 122.5199 58.4028 42.0256 178.4593 129 Y 4.2065 8.0191 119.2868 60.6837 38.7515 178.1309 130 V 3.4476 7.4010 120.3944 64.6528 31.1379 178.5410 131 K 3.8415 7.7650 119.2440 59.0156 31.8860 178.9844 132 L 3.6650 7.5652 120.0037 58.0140 41.9106 178.6366 133 K 3.5989 7.1860 116.9663 59.8032 32.4723 178.9543 134 L 4.0613 7.9532 118.8104 57.8851 40.9967 179.5001 135 M 4.1116 7.6942 118.7059 58.0933 31.6189 178.4939 136 L 4.0645 7.4310 117.4729 56.6057 41.8271 178.7833 137 V 3.7092 6.7581 117.4597 64.6081 31.5314 175.4418 138 K 4.2102 6.6053 113.9951 55.7132 35.3020 174.2522 139 K 3.9152 8.6330 121.1172 56.6307 32.4163 176.4803 140 D 4.4034 8.4017 125.6964 52.5075 43.1836 175.1310 141 E 4.0499 8.9156 128.1683 59.3013 29.5919 179.1664 142 A 4.0023 8.0614 120.6154 55.0370 18.5304 179.6710 143 K 3.9612 8.3106 117.1159 59.3421 32.0091 179.3714 144 N 4.0976 8.2307 116.8787 56.5375 38.5535 177.2577 145 N 4.4394 8.5245 117.4068 55.7728 38.4156 177.4998 146 A 3.9732 7.9371 122.5996 54.9745 18.4565 179.3846 147 L 3.9189 7.7734 118.8787 58.1472 42.0395 178.8901 148 L 4.1116 8.1806 120.5633 58.3763 42.1222 179.0782 149 S 4.1280 8.3061 115.1579 61.8198 62.7430 176.2526 150 H 4.1278 7.9070 119.4839 59.3385 29.6790 177.4152 151 L 3.9885 7.9855 120.8374 57.5679 41.3451 179.4457 152 R 3.8890 8.3208 119.1310 59.2987 29.9286 178.6388 153 K 3.9220 7.9384 117.9773 59.6044 32.0855 179.3663 154 I 3.5823 7.7506 119.9015 64.2670 36.9216 177.8082 155 N 4.1879 8.5012 118.2511 57.0623 38.6379 176.6350 156 D 4.3087 8.2592 120.1037 57.2697 40.8097 177.7957 157 H 3.9688 8.4146 119.1659 59.5860 29.7092 176.9027 158 L 3.9258 7.9198 120.2406 57.9920 41.2829 179.6539 159 S 4.0375 8.0936 111.6266 61.3619 62.4175 175.7834 160 A 4.1060 8.0076 122.6345 55.2144 18.2032 179.5331 161 R 3.9072 8.1848 115.9091 56.8609 30.8234 176.3225 162 N 4.0890 8.0162 116.5365 54.9407 37.9401 173.0400 163 T 4.7515 7.3654 104.9536 59.3521 72.0405 174.3223 164 R 3.7255 8.8692 122.8561 58.4971 30.3421 175.8069 165 F 5.5761 8.1329 115.7766 55.3353 42.2916 175.6065 166 L 4.1788 9.2144 120.9456 57.8671 41.2801 178.5522 167 T 4.6326 9.2629 104.9247 60.2457 69.8362 174.9303 168 G 3.8943 6.7919 107.8513 46.6087 0.0000 172.7875 169 D 4.7053 8.4465 119.9330 55.0121 41.4640 176.2413 170 T 4.7982 7.6145 115.8428 61.3893 70.8840 174.1268 171 M 3.7530 8.2004 124.7448 55.6010 32.6774 175.3515 172 C 4.8978 8.9215 117.2533 55.3851 33.1855 174.1573 173 C 3.5791 8.1879 114.5389 61.9048 28.2758 176.2106 174 F 4.3728 7.5353 119.2753 60.1131 38.5019 177.3113 175 D 4.6571 7.9667 119.6520 57.1851 40.5565 178.5829 176 C 4.2905 7.9352 116.2290 62.0479 27.8518 175.4808 177 E 3.8814 7.8602 121.1636 58.6990 29.3161 178.2818 178 L 3.9543 8.1220 120.5993 58.3446 42.2522 178.7576 179 M 4.0481 8.4718 119.0499 58.1055 31.9421 176.9664 180 P 4.4102 0.0000 0.0000 65.7600 31.3988 178.9124 181 R 3.9280 7.5268 116.8874 59.0414 29.8517 178.9914 182 L 3.9663 8.1435 119.0371 57.8135 41.4997 179.3712 183 Q 4.1344 8.3457 119.5267 59.5977 28.9774 177.9931 184 H 4.3404 8.5644 117.3644 58.7507 28.7448 177.6989 185 I 3.7351 8.1357 121.8848 64.5473 37.0467 178.5628 186 R 4.0136 8.3644 118.8837 59.3770 29.9859 179.4328 187 V 3.6547 8.2882 117.8922 66.1401 31.6483 177.9955 188 A 4.3953 8.5658 121.0103 54.8327 18.3586 179.4259 189 G 3.9804 8.1194 104.4860 48.2063 0.0000 175.7561 190 K 4.2554 8.0637 123.1798 58.6311 32.1019 178.2310 191 Y 3.7933 7.8179 118.3547 60.7591 38.7991 177.7752 192 F 4.4414 8.2614 117.0937 59.6700 39.2552 177.1349 193 V 4.4682 7.3626 107.8208 60.2082 32.8872 174.6233 194 D 4.4672 7.9791 116.9703 54.9930 39.8986 173.3292 195 F 4.5980 8.1883 118.6450 57.1967 40.4262 173.9514 196 E 4.5811 7.4352 125.5133 54.2471 33.0792 175.3577 197 I 3.8431 8.2646 123.4055 59.9616 37.7863 174.5254 198 P 4.6120 0.0000 0.0000 62.4976 31.9625 177.4836 199 T 4.1069 8.4454 109.6871 64.2246 68.9536 174.8480 200 H 4.5964 8.1197 116.1185 56.2937 29.8017 175.8252 201 L 4.4152 7.6343 123.2084 53.9392 40.4573 177.3774 202 T 4.0072 7.9526 119.2718 66.9152 68.9048 176.2387 203 A 4.0719 7.9694 122.0345 54.8725 18.4501 179.3033 204 L 3.8173 7.8051 118.5396 58.1435 42.1666 179.1408 205 W 4.2126 8.3113 118.9754 59.6351 28.9739 178.5839 206 R 3.9594 8.3790 118.9654 59.3982 29.3674 177.9191 207 Y 4.0791 8.3064 119.6477 61.1234 38.8636 178.0759 208 M 3.5881 8.3284 119.6627 58.0863 31.7300 177.9482 209 Y 4.2477 8.2147 119.3934 61.3823 39.2777 177.9060 210 H 4.2450 8.1040 116.8505 58.9235 28.7076 177.4215 211 M 3.6381 7.7411 120.3255 58.6073 31.6350 177.6083 212 Y 4.4511 7.2420 115.1369 59.8987 38.2470 176.8871 213 Q 4.3108 7.4078 116.9659 55.0377 29.4332 175.0660 214 L 4.4728 7.1406 123.6753 53.6171 43.2060 176.7290 215 D 4.2280 8.8865 126.2190 57.4962 40.5504 178.6172 216 A 3.0800 7.6797 119.7706 54.6395 18.6715 179.1457 217 F 3.8747 7.8607 118.8459 61.6360 39.1792 177.4765 218 T 3.7189 8.0822 109.5950 64.8348 68.3548 176.4685 219 Q 3.8287 7.9759 120.5871 57.5829 28.7145 177.7439 220 S 3.2550 6.6272 112.4638 56.6213 63.8642 173.7189 221 C 3.8162 6.4205 123.6009 58.0242 31.7110 171.4514 222 P 4.5182 0.0000 0.0000 61.9274 32.1026 176.4927 223 A 3.3129 8.3750 121.0031 51.8737 20.0802 178.2872 224 D 4.2829 8.1579 122.5636 57.9720 40.9360 179.8710 225 Q 3.8644 7.8666 117.5107 59.0454 28.6540 178.7032 226 D 4.3091 7.8626 119.4248 57.0927 41.1211 178.5489 227 I 3.6388 7.6884 120.3107 64.4557 37.1013 178.3694 228 I 3.8764 7.9470 120.7624 64.5996 36.8407 177.9281 229 N 4.2666 8.3198 117.8802 56.8332 38.6329 175.9084 230 H 3.9252 8.2747 119.6361 59.9490 29.9949 176.8156 231 Y 4.0812 7.8380 117.4317 60.5840 37.5841 178.5682 232 K 4.1715 8.4754 119.9373 59.5910 32.0019 179.2982 233 L 4.0210 8.0434 118.2469 57.9270 41.5820 179.1830 234 Q 4.1186 7.6941 116.7808 58.3681 28.7065 178.0784 235 Q 4.4289 7.6311 115.2835 54.3900 29.7255 175.4330 236 S 3.6909 7.7595 115.1353 59.5696 60.9358 172.0926 237 L 4.6251 7.7426 118.2887 53.8596 43.5360 175.7926 238 K 4.4813 7.9241 117.5112 55.8042 35.8265 175.8826 *244 E 4.2711 8.5102 120.0530 55.9739 31.0305 176.2012 245 L 4.4680 7.7774 115.9313 54.2595 42.0784 175.6930 246 E 4.0927 7.8896 121.0578 55.8172 30.0026 176.3773 247 T 4.0553 8.3662 123.6536 62.6094 69.1750 172.5134 248 P 4.6029 0.0000 0.0000 63.3640 31.9665 175.6291 249 T 4.6941 9.5072 113.5204 59.7829 72.8615 172.6361 250 F 4.9955 8.4916 119.9968 55.6410 41.7465 175.4231 251 T 4.0918 9.4738 122.6517 64.1215 68.4068 174.5424 252 T 3.0651 8.2002 113.5594 60.3957 70.7298 173.6602 253 Y 4.3507 7.7303 120.2657 56.8864 38.9860 174.7855 254 I 4.2121 8.1605 121.7854 58.9345 39.4163 174.6008 255 P 4.3446 0.0000 0.0000 63.2767 31.4093 175.5528 256 I 4.5789 6.5277 111.2550 58.8655 40.6908 174.6913 257 D 4.4352 8.3528 120.6030 54.3095 41.4260 176.8948 258 I 3.8887 7.9066 121.7772 61.4453 37.2764 175.7304 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 14 G 8.35 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 15 S 7.74 4.52 0.00 3.94 3.56 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 16 S 8.90 4.45 0.00 4.01 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 17 K 7.41 3.54 0.00 1.45 1.19 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.67 1.13 7.81 18 F 7.45 4.79 0.00 3.13 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 19 D 7.88 4.44 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.20 3.89 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 0.78 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.38 0.00 2.07 1.97 0.00 3.82 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 2.11 2.09 0.00 22 E 8.69 4.79 0.00 1.96 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 2.22 2.31 0.00 23 I 9.24 4.55 1.85 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 1.10 0.85 0.89 0.00 0.00 24 E 8.96 4.99 0.00 2.00 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 2.16 2.31 0.00 25 L 8.99 5.00 0.00 1.67 1.33 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.63 4.72 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.82 0.00 0.00 27 I 9.04 4.95 1.93 0.00 0.00 1.00 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 1.36 0.93 0.00 0.00 28 K 8.51 4.69 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 29 A 8.78 4.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.01 4.15 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.66 4.33 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 1.21 0.00 0.00 32 I 7.90 4.07 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 1.34 0.72 0.90 0.00 0.00 33 D 7.89 4.73 0.00 2.75 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 34 G 8.27 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 35 R 9.36 4.45 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 36 R 8.22 4.33 0.00 1.79 1.89 0.00 3.19 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 37 K 8.80 4.19 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.50 7.81 38 G 8.49 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 0.00 0.00 0.00 39 A 8.25 4.69 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 40 C 7.85 4.20 0.00 3.04 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 41 L 8.30 3.73 0.00 1.06 1.09 -0.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.71 3.46 0.00 3.05 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 43 C 8.13 4.14 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.92 3.90 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 45 E 7.88 4.10 0.00 1.77 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 46 Y 7.59 4.57 0.00 3.11 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 47 F 8.70 4.26 0.00 3.23 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 48 M 8.54 4.10 0.00 2.05 2.32 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 2.59 2.62 0.00 49 D 8.32 4.40 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.35 4.11 0.00 1.86 1.75 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.49 3.92 0.00 3.43 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.19 4.16 0.00 1.95 1.72 0.84 0.67 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 53 L 7.90 4.01 0.00 1.91 1.73 0.97 0.82 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 54 A 8.22 4.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.22 3.83 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 56 L 7.40 4.26 0.00 1.77 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.77 3.95 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.34 7.81 58 T 7.70 4.17 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 1.23 0.00 0.00 59 I 7.29 4.80 1.93 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 1.22 0.76 0.91 0.00 0.00 60 S 9.36 4.76 0.00 3.82 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 61 L 8.47 5.16 0.00 1.58 1.43 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 K 9.09 4.49 0.00 1.77 1.70 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.31 7.81 63 V 8.36 4.55 1.81 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 0.53 0.00 0.00 0.15 0.00 0.00 64 T 8.79 4.57 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 65 T 8.55 4.98 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 1.24 0.00 0.00 66 V 8.78 4.43 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 0.86 0.00 0.00 0.95 0.00 0.00 67 D 8.62 4.79 0.00 2.87 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 68 M 8.67 4.23 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 69 Q 7.90 4.49 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.30 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 70 K 7.62 4.66 0.00 1.87 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 71 P 0.00 4.49 0.00 2.06 2.00 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 72 P 0.00 4.37 0.00 2.19 2.18 0.00 3.83 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 2.01 2.00 0.00 *78 N 8.08 4.48 0.00 1.44 2.08 0.00 0.00 6.75 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 79 F 7.37 4.97 0.00 3.05 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 80 E 8.24 3.77 0.00 2.16 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 2.20 2.28 0.00 81 A 9.05 4.40 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.20 4.29 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 1.30 0.00 0.00 83 H 8.56 4.52 0.00 3.12 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.51 0.00 1.94 2.14 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 85 P 0.00 5.40 0.00 2.24 2.17 0.00 3.51 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 86 I 8.02 4.66 1.48 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 0.50 0.00 0.00 87 L 8.64 4.96 0.00 1.63 1.38 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.88 4.83 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 1.00 0.00 0.00 89 D 8.95 4.73 0.00 2.64 2.48 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 90 N 9.61 4.12 0.00 2.79 2.74 0.00 0.00 7.27 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 91 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.63 4.15 0.00 1.76 1.74 0.91 0.71 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 93 A 8.52 4.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.82 4.18 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.84 0.00 0.00 95 L 8.44 4.32 0.00 1.59 1.67 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.75 4.36 0.00 1.96 1.81 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 2.33 2.36 0.00 97 N 8.62 4.33 0.00 2.57 3.06 0.00 0.00 6.77 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 98 E 8.15 3.99 0.00 2.04 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 2.37 2.43 0.00 99 K 7.90 3.99 0.00 1.88 1.77 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.48 7.81 100 I 7.68 3.48 1.55 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 1.37 0.70 0.40 0.00 0.00 101 E 7.69 3.65 0.00 2.11 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 2.40 2.40 0.00 102 R 7.59 3.55 0.00 1.96 1.92 0.00 3.03 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 103 H 8.43 3.92 0.00 3.20 3.29 0.00 5.65 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 0.00 104 I 7.67 3.58 1.85 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 1.39 1.33 1.07 0.00 0.00 105 M 7.25 3.62 0.00 1.41 0.67 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 106 K 7.54 3.70 0.00 1.64 1.74 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.12 7.81 107 N 8.07 4.69 0.00 2.24 2.63 0.00 0.00 6.98 7.06 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 0.00 108 I 7.22 4.33 1.98 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 1.47 0.59 0.91 0.00 0.00 109 P 0.00 4.39 0.00 2.19 2.10 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 110 G 9.14 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 0.00 111 G 8.29 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 0.00 112 Y 7.95 4.12 0.00 3.03 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 0.00 113 N 8.28 4.57 0.00 2.88 2.94 0.00 0.00 6.85 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.78 4.12 0.00 1.88 1.93 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.07 4.10 0.00 3.03 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 0.00 116 V 7.30 3.67 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 0.92 0.00 0.00 0.98 0.00 0.00 117 Q 8.61 4.51 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 118 D 8.50 4.67 0.00 2.76 2.58 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 0.00 119 K 8.50 4.04 0.00 1.85 1.85 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 120 E 8.17 3.84 0.00 2.00 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 2.37 2.35 0.00 121 V 8.22 3.20 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 0.47 0.00 0.00 0.88 0.00 0.00 122 A 7.20 3.70 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.73 3.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 124 L 7.77 4.02 0.00 1.59 1.77 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.45 4.15 1.84 0.00 0.00 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 1.51 0.72 0.84 0.00 0.00 126 E 7.25 3.88 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 2.36 2.35 0.00 127 N 9.09 4.42 0.00 3.05 2.96 0.00 0.00 6.76 6.74 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 0.00 128 L 7.73 4.00 0.00 1.59 1.61 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.02 4.21 0.00 3.00 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 0.00 130 V 7.40 3.45 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 0.74 0.00 0.00 0.89 0.00 0.00 131 K 7.76 3.84 0.00 1.88 1.81 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.43 1.57 7.81 132 L 7.57 3.66 0.00 1.63 1.55 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.19 3.60 0.00 1.63 1.72 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 0.62 7.81 134 L 7.95 4.06 0.00 1.72 1.64 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 M 7.69 4.11 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 136 L 7.43 4.06 0.00 1.52 1.54 0.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 V 6.76 3.71 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 0.82 0.00 0.00 0.96 0.00 0.00 138 K 6.61 4.21 0.00 2.00 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.25 7.81 139 K 8.63 3.92 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.48 7.81 140 D 8.40 4.40 0.00 2.69 2.47 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 0.00 141 E 8.92 4.05 0.00 2.04 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 2.43 2.36 0.00 142 A 8.06 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.31 3.96 0.00 1.91 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.58 7.81 144 N 8.23 4.10 0.00 3.09 3.10 0.00 0.00 6.99 6.30 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 0.00 145 N 8.52 4.44 0.00 2.87 2.90 0.00 0.00 6.97 7.06 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 0.00 146 A 7.94 3.97 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 0.00 147 L 7.77 3.92 0.00 1.57 1.54 0.79 -0.02 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 0.00 148 L 8.18 4.11 0.00 2.14 1.93 1.02 1.44 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 0.00 149 S 8.31 4.13 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 7.91 4.13 0.00 3.23 3.37 0.00 5.61 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 0.00 151 L 7.99 3.99 0.00 1.90 1.65 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.32 3.89 0.00 2.00 2.15 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 153 K 7.94 3.92 0.00 1.97 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.57 7.81 154 I 7.75 3.58 1.89 0.00 0.00 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 1.30 0.84 0.67 0.00 0.00 155 N 8.50 4.19 0.00 2.69 2.98 0.00 0.00 7.28 8.52 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 0.00 156 D 8.26 4.31 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.41 3.97 0.00 3.11 3.42 0.00 5.60 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 0.00 158 L 7.92 3.93 0.00 1.87 1.68 0.52 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.09 4.04 0.00 3.92 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.01 4.11 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 0.00 161 R 8.18 3.91 0.00 1.69 1.95 0.00 3.43 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 162 N 8.02 4.09 0.00 2.72 2.78 0.00 0.00 7.03 7.52 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 0.00 163 T 7.37 4.75 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 1.26 0.00 0.00 164 R 8.87 3.73 0.00 1.44 1.35 0.00 2.76 0.00 0.00 2.66 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 165 F 8.13 5.58 0.00 3.33 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 9.21 4.18 0.00 1.79 1.75 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 T 9.26 4.63 4.36 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 1.41 0.00 0.00 168 G 6.79 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 0.00 169 D 8.45 4.71 0.00 2.74 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 0.00 170 T 7.61 4.80 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 171 M 8.20 3.75 0.00 1.68 1.72 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.19 0.00 172 C 8.92 4.90 0.00 3.08 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 0.00 173 C 8.19 3.58 0.00 2.11 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 0.00 0.00 0.00 0.00 174 F 7.54 4.37 0.00 3.08 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 0.00 175 D 7.97 4.66 0.00 2.78 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 0.00 176 C 7.94 4.29 0.00 3.06 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 0.00 177 E 7.86 3.88 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 178 L 8.12 3.95 0.00 1.87 1.76 0.86 0.99 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 0.00 179 M 8.47 4.05 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.31 0.00 180 P 0.00 4.41 0.00 1.99 2.17 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 181 R 7.53 3.93 0.00 1.90 1.99 0.00 3.24 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 182 L 8.14 3.97 0.00 1.82 1.63 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 8.35 4.13 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 184 H 8.56 4.34 0.00 3.53 3.57 0.00 5.88 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 0.00 185 I 8.14 3.74 2.09 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 1.48 0.93 1.04 0.00 0.00 186 R 8.36 4.01 0.00 2.12 2.10 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 187 V 8.29 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 1.06 0.00 0.00 1.15 0.00 0.00 188 A 8.57 4.40 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 0.00 189 G 8.12 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 0.00 190 K 8.06 4.26 0.00 2.09 1.98 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 191 Y 7.82 3.79 0.00 3.00 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 0.00 192 F 8.26 4.44 0.00 3.27 3.16 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 0.00 193 V 7.36 4.47 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 0.87 0.00 0.00 1.05 0.00 0.00 194 D 7.98 4.47 0.00 2.77 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 0.00 195 F 8.19 4.60 0.00 3.21 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 0.00 196 E 7.44 4.58 0.00 1.83 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 2.31 2.34 0.00 197 I 8.26 3.84 1.69 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 1.52 0.52 0.57 0.00 0.00 198 P 0.00 4.61 0.00 2.21 2.21 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 199 T 8.45 4.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 200 H 8.12 4.60 0.00 3.30 3.50 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 7.63 4.42 0.00 1.78 1.59 0.85 0.79 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 0.00 202 T 7.95 4.01 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 0.00 203 A 7.97 4.07 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 0.00 204 L 7.81 3.82 0.00 1.63 1.59 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 205 W 8.31 4.21 0.00 3.52 3.21 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 0.00 206 R 8.38 3.96 0.00 2.02 2.18 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 207 Y 8.31 4.08 0.00 3.16 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 0.00 208 M 8.33 3.59 0.00 1.92 2.26 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 209 Y 8.21 4.25 0.00 3.06 3.17 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 0.00 210 H 8.10 4.25 0.00 3.18 3.19 0.00 5.68 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 0.00 211 M 7.74 3.64 0.00 1.36 1.24 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 212 Y 7.24 4.45 0.00 3.02 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 0.00 213 Q 7.41 4.31 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 214 L 7.14 4.47 0.00 1.85 1.68 0.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 215 D 8.89 4.23 0.00 2.95 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 A 7.68 3.08 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 0.00 217 F 7.86 3.87 0.00 3.06 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 0.00 218 T 8.08 3.72 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 1.40 0.00 0.00 219 Q 7.98 3.83 0.00 1.38 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 220 S 6.63 3.26 0.00 2.86 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 0.00 221 C 6.42 3.82 0.00 1.94 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 0.00 222 P 0.00 4.52 0.00 2.20 2.22 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 223 A 8.37 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 D 8.16 4.28 0.00 2.63 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 0.00 225 Q 7.87 3.86 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 226 D 7.86 4.31 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.69 3.64 2.01 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 1.31 0.87 1.02 0.00 0.00 228 I 7.95 3.88 1.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.62 -0.11 0.00 0.00 229 N 8.32 4.27 0.00 2.86 2.80 0.00 0.00 6.89 8.41 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 0.00 230 H 8.27 3.93 0.00 3.31 3.38 0.00 5.83 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 0.00 231 Y 7.84 4.08 0.00 3.10 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 0.00 232 K 8.48 4.17 0.00 2.09 1.97 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.80 1.90 7.81 233 L 8.04 4.02 0.00 1.54 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 234 Q 7.69 4.12 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 235 Q 7.63 4.43 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 236 S 7.76 3.69 0.00 4.03 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 0.00 237 L 7.74 4.63 0.00 1.74 1.71 1.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 238 K 7.92 4.48 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.39 7.81 *244 E 8.51 4.27 0.00 1.95 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 2.19 2.41 0.00 245 L 7.78 4.47 0.00 1.67 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 246 E 7.89 4.09 0.00 1.91 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 2.31 0.00 247 T 8.37 4.06 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 1.23 0.00 0.00 248 P 0.00 4.60 0.00 1.87 1.86 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 249 T 9.51 4.69 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 1.23 0.00 0.00 250 F 8.49 5.00 0.00 2.98 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 0.00 251 T 9.47 4.09 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 1.19 0.00 0.00 252 T 8.20 3.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 253 Y 7.73 4.35 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 I 8.16 4.21 1.94 0.00 0.00 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 1.73 1.75 0.93 0.00 0.00 255 P 0.00 4.34 0.00 1.87 2.01 0.00 2.20 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.16 0.00 256 I 6.53 4.58 1.76 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 0.91 0.58 0.73 0.00 0.00 257 D 8.35 4.44 0.00 2.62 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 0.00 258 I 7.91 3.89 1.18 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 0.91 0.26 0.49 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.