NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3417 8.0327 110.9442 61.4249 70.3952 174.2582 2 E 3.8704 8.4974 122.3324 58.2325 29.6450 176.8546 3 N 4.4185 8.9190 118.0669 56.1255 39.2616 176.6111 4 K 3.9444 7.5032 118.1671 59.4203 32.2822 178.7310 5 R 4.0913 7.3314 116.9834 59.3361 30.3534 178.0511 6 K 4.2046 8.2266 119.2086 59.6055 31.7140 180.3053 7 S 4.2200 7.8622 113.3971 59.1527 62.9907 176.1068 *9 E 4.6621 8.2323 123.6020 56.5328 31.2382 178.3874 10 K 4.2482 7.9195 116.8063 58.5961 32.2526 178.0135 11 L 4.3058 7.5747 117.2591 55.4486 42.0416 176.1118 12 S 4.9802 7.6425 110.4091 56.2190 65.6745 173.6358 13 V 4.2805 8.4482 112.9520 60.4625 33.4188 175.9519 14 D 4.0184 9.5053 126.1178 55.5117 38.1544 174.4738 15 G 3.3538 8.2317 103.1127 46.1145 0.0000 173.3996 16 V 4.8859 7.5276 118.5714 60.7673 35.0211 174.3929 17 I 4.5965 9.1303 129.7942 60.3382 38.2018 175.3742 18 S 5.0260 8.8400 124.2690 56.3735 62.1765 172.5160 19 A 5.1728 8.7031 127.6740 51.0372 22.2396 176.1511 20 L 5.0466 8.8333 123.4182 53.9077 43.4982 175.1129 21 A 4.9223 9.1081 129.4955 50.1249 20.4702 177.6414 22 F 5.6404 9.3041 128.0883 57.4657 38.5795 174.1500 23 D 4.9212 8.2172 115.7876 52.9180 40.1781 176.9508 24 Q 4.1076 8.1297 120.0187 56.9476 28.7307 175.1961 25 R 4.5106 7.8787 118.3333 56.6891 34.1221 177.7532 26 G 3.6740 8.2323 104.4720 48.3067 0.0000 174.9785 27 A 4.0523 7.8801 121.5913 54.7348 18.5753 179.0281 28 L 4.1660 7.8516 117.5972 58.1671 42.3493 178.7086 29 K 4.0991 8.0595 117.7846 58.9767 33.1302 179.3635 30 R 4.1563 7.7185 119.3288 56.1014 25.9510 176.6904 *33 A 4.0251 7.8487 124.6605 51.8931 20.9604 179.0410 34 Q 4.1461 7.5595 112.0046 58.2589 28.7812 176.4917 35 H 4.8724 7.9928 114.1726 55.5251 29.8047 173.4573 36 Q 4.6408 7.5471 115.4928 54.6483 31.7426 175.3271 37 T 4.0082 8.5435 109.4393 64.5594 69.2147 175.5872 38 K 4.2424 7.7241 120.5718 55.1609 33.5330 176.3505 39 E 4.0723 8.4810 118.6747 55.5802 30.0771 175.1402 40 P 4.4719 0.0000 0.0000 63.3787 32.1142 176.8931 41 T 4.4601 8.5306 113.3145 60.2571 71.7493 176.4413 42 V 3.7739 8.1865 119.9269 66.4077 31.5969 177.5746 43 E 4.0173 8.2702 117.7315 59.5662 29.3959 179.3410 44 Q 4.2512 7.9911 119.0663 58.5711 28.9825 178.9086 45 I 3.4679 7.6895 120.6669 64.3432 37.1815 178.3344 46 E 3.9210 8.4726 119.8009 59.3452 29.2629 179.1119 47 E 3.8775 8.2007 119.2446 59.1381 29.7590 178.5407 48 L 3.4414 7.3252 120.0490 57.9934 41.9846 179.1325 49 K 3.8025 7.5923 117.9540 59.4774 31.7796 179.5495 50 S 4.1077 7.9193 115.2593 61.3392 62.6914 176.8099 51 L 3.9856 7.9527 121.8030 57.8758 41.4507 179.6952 52 V 3.6926 7.9243 118.1797 66.0693 31.5224 177.7926 53 S 4.0996 8.3762 113.0340 61.2865 62.0902 175.3627 54 E 4.1759 8.1655 122.8644 58.8925 29.4545 178.5710 55 E 4.2715 8.2367 116.5876 58.1210 30.0190 177.9717 56 L 4.9803 8.1438 117.8257 55.5332 43.4055 178.6942 57 T 3.8999 7.8642 109.8616 64.2698 68.2640 174.3521 58 P 4.0753 0.0000 0.0000 64.3109 31.1746 176.6398 59 F 4.9892 7.6622 113.6209 56.8400 39.7636 174.7754 60 A 5.0674 7.8486 123.6626 50.1725 21.5900 177.0798 61 S 4.5827 8.9220 115.3732 61.0308 64.6240 173.8681 62 S 5.1301 7.7436 113.2640 57.5389 66.3855 173.1901 63 I 4.9910 8.5974 119.8477 59.1398 41.4084 173.5178 64 L 5.0102 9.2674 131.6458 53.8679 43.3663 175.1741 65 L 5.3217 8.8298 126.2628 52.8085 45.9027 175.2415 66 D 4.9839 8.2618 119.7648 51.7210 41.3864 175.3537 67 P 4.3273 0.0000 0.0000 63.3516 31.9629 176.9781 68 E 3.9990 8.0085 119.1719 59.0411 29.5589 177.0878 69 Y 4.5837 8.4298 113.1692 57.5000 39.9977 176.4600 70 G 3.8875 7.9205 107.8709 45.4238 0.0000 175.7000 71 L 3.9137 7.7342 122.4263 56.8967 41.5804 177.1727 72 P 4.2362 0.0000 0.0000 65.9012 30.8114 178.4772 73 A 4.1123 7.6431 119.2161 54.9069 17.8625 179.8344 74 S 4.0898 8.0866 113.0876 61.6398 62.8573 176.9392 75 R 4.1071 7.6033 119.2071 57.9692 29.7960 178.2362 76 V 4.2858 7.2227 110.4747 59.8705 32.0657 175.9250 77 R 4.0400 6.9330 115.8107 55.6472 30.0415 176.8424 78 S 4.2373 8.3949 114.4525 57.9606 63.5960 174.8852 79 E 3.8094 8.8271 123.2063 59.3590 29.3460 177.8597 80 E 4.0740 7.7170 117.4070 57.9842 30.0289 176.2583 81 A 4.3273 7.9791 121.5228 51.2127 19.4818 178.1168 82 G 3.9434 8.5984 110.0148 45.6398 0.0000 171.9413 83 L 5.3280 9.2264 121.4300 53.0185 45.2175 175.0265 84 L 5.1260 9.0215 125.7403 52.8257 45.2268 175.2311 85 L 5.1345 8.1583 121.7555 52.4724 44.5320 175.9704 86 A 4.5757 8.6873 126.4343 52.5158 18.6324 176.4689 87 Y 4.9980 9.0428 121.6252 57.6627 41.5023 175.4108 88 E 4.5919 7.9046 116.3303 55.2876 30.9635 176.7554 89 K 4.2192 8.6625 121.5556 56.6594 32.8000 177.1527 90 T 3.9739 8.5021 117.8896 62.7980 68.2501 176.2305 91 G 3.9295 9.2848 115.9077 45.6213 0.0000 171.6386 92 Y 4.6293 7.3652 115.0998 55.8987 39.5532 173.2845 93 D 4.4312 8.5998 119.7686 53.3173 41.2797 176.3116 94 A 4.1904 8.3484 129.2461 53.0185 19.2453 177.8973 95 T 4.0816 7.9825 106.5627 63.5001 69.3120 175.2991 96 T 4.5574 7.1175 111.1956 60.1528 70.7451 174.3716 97 T 4.4477 8.2489 111.0885 61.6915 69.4786 175.6980 98 S 4.2532 8.0779 117.1694 59.4677 64.2414 174.4550 99 R 3.5590 7.8725 118.5552 56.9222 27.1429 176.2623 100 L 4.2274 7.4515 117.0227 53.6767 42.9040 176.1239 101 P 4.5701 0.0000 0.0000 63.3923 32.4330 175.5275 102 D 4.5196 8.4188 120.4583 53.4594 44.2350 174.3642 103 C 4.9048 9.3922 124.7871 59.2862 29.1264 173.9565 104 L 4.1917 8.9125 122.0451 55.3847 41.8711 178.7351 105 D 4.4635 8.9782 122.5126 56.9201 41.0087 177.6660 106 V 4.3047 7.8941 110.1538 60.6382 31.9954 175.1350 107 W 4.7852 7.8138 119.3316 55.0533 32.1035 175.2716 108 S 5.3849 8.5233 114.8757 56.3616 66.6851 174.9643 109 A 3.6181 8.9318 124.2700 54.9150 17.9448 179.8625 110 K 3.7897 7.9338 117.5746 59.9230 32.3360 179.0932 111 R 4.1555 7.9032 117.9567 59.1512 29.6585 179.0125 112 I 3.7370 8.2306 120.0840 64.3101 37.1441 177.9335 113 K 3.8592 8.3732 120.6366 60.0363 31.7618 178.5008 114 E 3.9976 8.4930 117.0747 59.2111 29.4444 178.7211 115 A 4.3110 7.9744 119.0849 52.7450 18.6380 178.0080 116 G 3.9807 7.9812 104.4792 44.8163 0.0000 174.3966 117 A 4.0991 7.4480 122.5119 52.4754 18.7719 177.4772 118 E 4.5869 8.8331 119.4382 56.6899 30.6945 176.0207 119 A 4.7261 7.5121 120.0050 50.8279 23.0342 175.0730 120 V 4.7281 8.8882 121.2054 61.1707 33.5811 174.7163 121 K 5.4347 8.9285 127.5321 55.2958 35.3104 175.0219 122 F 5.2314 9.3322 124.8126 56.4900 42.9517 172.7782 123 L 4.7757 7.6953 128.7856 53.7022 43.0058 175.0936 124 L 4.8019 8.9005 129.0525 53.4530 44.6042 174.5367 125 Y 5.5705 8.5524 123.8943 57.0039 39.0274 174.2592 126 Y 4.9138 8.9958 124.4673 55.9055 43.1125 173.4218 127 D 4.4642 7.6909 124.4794 52.0062 42.9426 175.5245 128 I 3.7979 8.5709 126.9812 63.6170 38.0855 176.2161 129 D 4.6001 7.9855 117.7530 54.2510 41.2867 177.1336 130 G 3.7409 7.6514 108.9977 43.9580 0.0000 172.9387 131 D 4.3477 8.7182 118.5875 54.6188 42.2426 177.9330 132 Q 4.0600 8.7235 125.7886 59.0940 28.8896 178.5340 133 D 4.4088 8.1485 119.7088 57.0112 41.0167 178.5196 134 V 3.6301 8.1103 118.8814 66.3590 31.5134 177.9599 135 N 4.5878 8.2251 116.0169 56.1567 38.2615 177.2553 136 E 4.0524 8.2901 120.1978 59.5928 29.6085 179.0906 137 Q 4.0661 8.1102 119.2662 59.1709 29.0590 178.6345 138 K 4.1250 8.3388 119.3573 59.5127 32.2212 179.3640 139 K 4.2757 8.9820 118.8128 59.7417 32.1352 179.1109 140 A 4.1421 8.5475 121.2128 55.5226 18.2790 179.0754 141 Y 3.9015 8.2959 117.9809 60.8640 38.8895 178.3266 142 I 3.8013 8.1538 120.9042 64.3063 37.2044 178.0355 143 E 4.1161 8.7095 119.5512 59.6149 29.2349 179.6467 144 R 3.8248 7.8442 117.6442 59.3340 30.1563 179.2404 145 I 3.5391 7.2980 119.0413 64.2224 37.1698 178.5376 146 G 3.8971 8.2085 108.1917 47.3413 0.0000 175.8705 147 S 4.1278 8.1050 117.2486 61.2606 62.8837 176.3098 148 E 3.9065 8.2119 121.4994 59.9445 29.2731 179.4694 149 C 4.1113 8.0000 116.4045 62.4667 28.0585 176.0754 150 R 3.8662 7.8738 119.7502 59.5617 29.5062 178.5346 151 A 4.0254 7.7736 118.9991 54.8725 18.4829 178.6732 152 E 4.0999 8.2043 114.5091 55.7707 30.7395 175.6555 153 D 4.3649 7.7607 117.2383 55.3376 39.8558 173.0653 154 I 4.7175 7.8017 117.4824 58.3129 41.6228 173.7965 155 P 4.6092 0.0000 0.0000 63.1603 32.7817 174.8729 156 F 5.4960 10.3044 127.3694 57.2535 41.1016 174.1415 157 Y 4.7425 9.6378 126.3396 56.6236 39.3974 174.8552 158 L 4.6901 8.2439 128.4509 53.3762 43.7733 174.7453 159 E 4.8513 9.1318 129.1278 55.3846 31.1186 174.7361 160 I 4.7988 8.4180 128.2093 59.6041 39.3181 175.0292 161 L 4.7761 8.5581 128.2325 53.1254 43.2887 176.4586 162 T 5.3129 9.2972 115.1310 61.4218 70.1861 173.1878 163 Y 4.7472 8.2237 119.5614 56.6722 41.3380 172.7985 164 D 4.9038 8.4169 117.9597 52.0261 44.1159 176.1371 165 E 4.0787 9.0357 125.9670 59.0390 29.6127 178.7199 166 K 4.3850 8.6406 115.9861 56.2209 32.8294 176.2726 167 I 4.3282 7.4518 119.3293 59.3183 38.0193 175.3004 168 A 4.0126 8.5239 129.2160 53.8348 18.7508 176.5654 169 D 4.5771 7.8063 115.3947 53.0177 41.1234 175.5419 170 N 3.8795 8.7331 125.8335 56.6292 39.1497 176.6578 171 A 4.1219 7.8745 117.7840 53.5294 19.0216 178.3132 172 S 4.3262 7.5556 112.8246 58.0139 64.7873 173.2465 173 P 3.3110 0.0000 0.0000 65.9166 30.9364 178.6718 174 E 3.8972 8.0036 115.5886 58.8733 29.8496 178.2185 175 F 4.2306 8.1638 120.2963 61.2647 39.7811 176.6348 176 A 3.9434 8.1700 120.4578 55.4378 17.7524 179.7869 177 K 4.2528 7.7161 116.2277 58.3287 32.1675 178.3637 178 V 4.3052 7.2919 116.8593 60.8312 32.1301 177.3518 179 K 3.2922 7.4871 122.4238 59.6801 31.8695 178.5642 180 A 3.9235 7.7437 120.5606 55.5389 18.2141 178.9819 181 H 4.0379 8.0052 116.1136 59.1787 29.6478 177.5224 182 K 3.9800 7.7035 120.5358 59.3713 31.6651 179.6220 183 V 3.6611 7.5056 117.2931 66.0746 31.6632 177.6431 184 N 4.4195 7.9770 116.1637 56.4316 38.4501 177.4589 185 E 4.0738 7.9469 119.4246 58.9151 29.5777 179.7709 186 A 4.0803 7.5738 119.6414 52.3133 17.6096 179.3918 *188 K 4.2052 8.1890 121.0151 58.1534 34.2514 178.7724 189 V 3.2324 7.7592 118.2782 66.0095 31.3414 177.2865 190 F 4.3068 7.5009 114.5551 57.7010 38.6902 176.8015 191 S 4.4624 7.4401 117.2153 59.5709 63.3856 175.0759 192 K 4.0209 7.7588 121.1287 56.3424 32.5653 177.4196 193 E 3.9934 9.0267 123.8434 59.2979 29.6071 179.0670 194 R 3.9055 7.7171 113.6050 58.2655 29.6137 177.0940 195 F 4.6357 8.2203 116.8748 57.1516 39.3744 176.5308 196 G 4.1513 8.0394 107.8244 46.1604 0.0000 173.7236 197 V 3.6699 7.9579 118.8761 62.6474 32.1126 175.3848 198 D 4.6067 8.7375 127.4461 56.1859 41.9145 177.4053 199 V 4.3176 6.9619 117.2321 60.9073 35.1190 174.0089 200 L 4.6641 8.5172 128.0975 53.7437 43.3760 175.4056 201 K 4.9974 9.0443 126.1577 54.9944 34.0125 175.3704 202 V 4.9640 8.8276 119.9520 59.4554 36.4220 175.0949 203 E 4.6206 8.8198 121.3847 55.8409 30.6722 177.2593 204 V 3.3741 8.2542 121.8430 62.4747 32.0407 175.1009 205 P 4.4899 0.0000 0.0000 62.3876 30.9852 176.2626 206 V 3.9673 6.9039 114.1143 61.7827 33.8733 172.4941 207 N 4.5736 8.0454 121.1891 53.1927 40.4377 174.6871 *209 K 4.2568 8.4202 114.8969 56.1873 34.1415 177.1062 210 F 5.0615 8.0663 116.4792 56.9354 39.5087 174.7973 211 V 5.5592 7.3961 119.5919 59.8510 33.5307 174.7995 212 E 4.2477 8.7815 125.7196 58.2062 29.7385 176.8870 213 G 3.8933 9.1174 111.8155 45.0132 0.0000 173.9046 214 F 4.5677 7.7917 114.7615 57.2378 40.8440 175.6619 215 A 4.5297 7.8424 124.0715 51.6276 18.6678 177.0111 216 D 4.6325 8.7608 123.0480 55.8253 42.7627 177.8168 217 G 4.0264 7.0492 103.9670 45.1932 0.0000 175.3528 218 E 4.0432 8.6846 125.6162 55.5173 30.0095 175.5369 219 V 4.4052 8.2937 124.8004 61.1789 33.1748 174.7115 220 L 4.3942 8.7950 128.0399 54.8368 43.7859 175.9751 221 F 5.0854 8.5749 117.7863 55.2597 42.0715 175.2887 222 T 4.6101 8.4451 115.5029 60.9595 71.7571 175.6045 223 K 4.2043 8.6252 119.0827 59.4144 31.7460 179.0801 224 E 4.0295 8.2511 118.6693 59.3742 29.9711 178.3806 225 E 4.1119 8.0176 117.0513 59.5242 29.3712 179.0270 226 A 3.9245 7.8695 120.6840 55.4126 18.1725 179.5848 227 A 4.0956 8.4061 118.6183 55.2057 18.5139 179.6992 228 Q 3.9409 8.2802 118.2873 59.2567 29.1959 178.1359 229 A 3.9920 7.9067 121.0665 54.5388 18.3590 179.5481 230 F 4.1413 7.7316 116.8600 60.6683 39.2849 178.1795 231 R 4.1526 7.9671 115.4928 59.0845 29.0480 178.6674 232 D 4.3448 7.8508 119.1364 57.1709 41.1693 177.9208 233 Q 4.1718 7.9475 121.4113 58.6681 28.8405 178.0634 234 E 4.0181 8.1679 118.8610 58.9193 29.7487 177.9278 235 A 4.2839 7.5658 118.3332 53.5537 18.9138 179.0508 236 S 4.2184 7.6345 113.3895 59.9298 63.3590 174.4020 237 T 4.6532 6.9687 113.4322 60.3887 70.2127 173.0111 238 D 4.6841 8.5839 125.5603 55.1054 41.7067 177.2177 239 L 4.2266 7.6132 119.5482 53.5461 42.4165 175.0694 240 P 4.7221 0.0000 0.0000 63.5490 32.3607 174.8701 241 Y 5.4970 8.9236 121.3988 55.2036 41.7814 174.2720 242 I 4.9453 8.6865 113.4811 59.5032 41.8422 173.4239 243 Y 5.6008 8.3967 120.8375 56.8563 39.7644 174.8531 244 L 5.0052 8.8399 124.5280 54.5459 42.6999 177.1390 245 S 3.4155 8.3922 114.9199 57.1041 64.5415 176.3405 246 A 3.6425 7.6964 127.1100 53.7234 18.0280 178.8486 247 G 4.0806 8.8988 104.0881 46.2362 0.0000 173.1680 248 V 3.8638 7.3253 113.4505 60.4587 32.4276 176.8984 249 S 4.3267 8.3271 116.4539 57.9199 65.0475 174.9531 250 A 4.0228 8.5511 124.8680 55.4060 18.1075 179.9668 251 K 3.8600 8.0261 117.3090 59.8225 32.3943 178.6781 252 L 4.0848 7.5315 120.1436 57.8215 41.9347 178.8061 253 F 4.2224 8.2620 120.8183 61.4191 39.2425 177.0580 254 Q 3.8938 8.2362 117.6816 59.1754 28.5617 178.9113 255 D 4.4278 8.0877 119.5835 57.7422 40.9017 178.8609 256 T 3.6769 7.7821 116.1995 66.5430 68.3767 176.5390 257 L 3.6226 7.5393 120.7950 57.5366 41.6082 179.5986 258 V 3.5509 7.4199 118.0821 66.1626 31.3240 177.8590 259 F 4.3008 8.2669 120.8117 60.4718 39.1363 176.7320 260 A 2.5800 7.7273 120.1777 54.6897 18.1066 179.2321 261 A 3.9484 7.8683 119.2655 55.4760 18.4151 179.7164 262 E 3.8694 8.1163 115.5841 59.3641 29.2138 178.9893 263 S 4.2303 7.1045 114.7146 58.5842 63.0561 174.7109 264 G 4.1379 7.4809 110.5537 45.3408 0.0000 173.2942 265 A 4.5349 8.0317 123.2847 51.4483 19.4906 179.5842 266 K 4.5512 8.5687 124.9603 54.6777 32.2399 177.1693 267 F 3.3253 7.7619 114.1315 56.8715 38.9479 175.4799 268 N 5.6158 9.7032 118.9394 51.0233 39.3838 175.9897 269 G 3.6459 6.9607 106.3551 45.4387 0.0000 172.4974 270 V 5.0928 8.6356 112.9148 60.1796 36.8785 174.7210 271 L 4.8339 8.8987 122.9758 53.3699 42.6562 174.8776 272 C 4.1515 9.0847 124.6769 58.9130 33.4714 171.7539 273 G 4.2178 8.6469 111.0205 46.0014 0.0000 174.6274 274 R 2.5100 8.4511 118.1350 58.3845 31.0969 178.6873 275 A 3.8211 7.6586 118.7392 55.7185 18.4352 179.3681 276 T 4.1639 7.7222 111.9360 65.8193 69.1766 176.6408 277 W 4.9722 6.9591 115.4523 56.3267 28.7712 177.2660 278 A 3.9187 7.5470 123.5139 55.7289 17.9434 180.1196 279 G 3.2719 8.0131 103.2386 47.2408 0.0000 175.7538 280 S 3.4961 6.6029 116.2654 60.5736 62.9896 176.8746 281 V 3.5137 7.3146 121.9714 65.7868 31.3788 177.6957 282 K 3.4926 7.7709 118.8235 59.3798 31.9336 178.5548 283 V 3.4823 7.0225 117.0635 66.1086 30.9357 177.0243 284 Y 4.2710 8.3604 119.5317 61.0328 38.3433 178.4932 285 I 3.5372 7.4161 118.5357 64.4995 37.3849 178.0849 286 E 4.1800 8.0119 117.7791 58.1659 29.4693 177.3478 287 E 4.4414 8.2116 114.8051 55.0023 31.7341 176.7132 288 G 3.9060 7.9426 105.0824 44.5890 0.0000 172.9642 289 P 4.5615 0.0000 0.0000 65.8019 31.1091 178.5736 290 Q 3.9468 8.0948 118.6886 59.1113 29.1516 177.8843 291 A 4.1097 8.0689 121.0337 54.8756 18.3248 179.3918 292 A 4.0601 8.0410 119.1967 55.4034 18.5765 179.7194 293 R 3.9400 8.4164 117.5852 59.7102 29.9239 178.3847 294 E 4.0308 8.5108 119.1399 58.8511 29.5581 178.5399 295 W 4.1900 8.4250 128.6222 60.5605 30.8570 178.0076 296 L 4.2496 8.7590 119.2523 57.9216 40.8600 179.5536 297 R 4.1755 7.9796 117.0150 58.4911 30.2564 176.6841 298 T 4.4417 7.4267 105.8652 63.2243 70.7024 176.0257 299 E 3.6213 7.2722 121.6274 57.8742 29.8139 179.1565 300 G 3.4846 7.0707 105.8471 47.7107 0.0000 175.3431 301 F 4.1308 7.9865 123.2373 60.6992 39.3691 176.8480 302 K 3.4102 7.8867 119.2220 59.6073 31.9173 178.3516 303 N 4.2234 7.9001 116.4298 56.3885 38.4353 177.2508 304 I 3.8160 7.4712 119.6406 63.6000 38.0771 177.3818 305 D 4.0183 7.9537 119.4134 57.2093 40.9666 177.3234 306 E 3.7383 7.7385 119.7371 59.6480 29.4240 178.6977 307 L 3.9830 7.8750 119.6596 58.2689 42.2120 178.6583 308 N 4.3570 8.3404 116.4207 56.4896 38.2899 177.5660 309 K 4.0265 7.8120 118.6179 59.3041 32.2975 179.3371 310 V 3.7436 7.6834 118.3354 65.8533 31.4415 178.0228 311 L 4.0662 8.1689 119.0488 58.0951 41.2996 179.2326 312 D 4.3710 8.0232 117.4341 56.6249 40.7938 177.8890 313 K 4.3080 7.7078 117.4806 56.7767 32.6932 176.4423 314 T 4.3079 7.5324 110.9651 63.3411 69.5055 173.9280 315 A 3.3141 7.7344 121.4731 51.3961 19.0484 177.1287 316 S 4.6542 8.0682 115.8289 55.9474 66.0283 172.3833 317 P 4.6554 0.0000 0.0000 62.1795 32.0970 177.3354 318 W 4.4842 9.0061 120.6106 57.7751 28.5077 176.4727 319 T 3.9543 6.7577 113.8239 61.8182 68.3054 174.4223 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 T 8.03 4.34 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 1.23 0.00 0.00 2 E 8.50 3.87 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 3 N 8.92 4.42 0.00 2.89 3.01 0.00 0.00 7.24 6.11 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 4 K 7.50 3.94 0.00 1.84 1.86 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.68 7.81 5 R 7.33 4.09 0.00 2.05 2.21 0.00 3.39 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 6 K 8.23 4.20 0.00 2.01 1.98 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 7 S 7.86 4.22 0.00 4.10 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 *9 E 8.23 4.66 0.00 2.34 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 0.00 2.56 2.93 0.00 10 K 7.92 4.25 0.00 1.99 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.58 7.81 11 L 7.57 4.31 0.00 1.71 1.74 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.64 4.98 0.00 4.43 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 13 V 8.45 4.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 14 D 9.51 4.02 0.00 2.80 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 15 G 8.23 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.53 4.89 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.87 0.00 0.00 17 I 9.13 4.60 2.01 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 1.46 0.44 1.11 0.00 0.00 18 S 8.84 5.03 0.00 4.11 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 19 A 8.70 5.17 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 20 L 8.83 5.05 0.00 1.90 1.66 1.14 1.38 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 21 A 9.11 4.92 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 22 F 9.30 5.64 0.00 2.75 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 23 D 8.22 4.92 0.00 2.78 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 24 Q 8.13 4.11 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.75 2.63 0.00 25 R 7.88 4.51 0.00 1.86 1.81 0.00 3.27 0.00 0.00 3.50 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 26 G 8.23 3.67 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 0.00 0.00 0.00 27 A 7.88 4.05 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 28 L 7.85 4.17 0.00 1.70 1.82 1.01 0.29 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 29 K 8.06 4.10 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 30 R 7.72 4.16 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 *33 A 7.85 4.03 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 34 Q 7.56 4.15 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.71 0.00 0.00 0.00 0.00 0.00 2.38 1.85 0.00 35 H 7.99 4.87 0.00 3.15 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.55 4.64 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 37 T 8.54 4.01 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 1.20 0.00 0.00 38 K 7.72 4.24 0.00 1.89 1.85 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 39 E 8.48 4.07 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 40 P 0.00 4.47 0.00 2.01 2.02 0.00 3.65 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 2.18 2.08 0.00 41 T 8.53 4.46 4.43 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 1.23 0.00 0.00 42 V 8.19 3.77 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 1.29 0.00 0.00 1.06 0.00 0.00 43 E 8.27 4.02 0.00 2.13 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 0.00 2.43 2.50 0.00 44 Q 7.99 4.25 0.00 2.42 2.26 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 2.54 2.33 0.00 45 I 7.69 3.47 1.47 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.16 0.00 0.00 46 E 8.47 3.92 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 47 E 8.20 3.88 0.00 2.18 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 2.38 2.36 0.00 48 L 7.33 3.44 0.00 0.99 1.38 0.63 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.59 3.80 0.00 1.60 1.43 0.00 1.33 0.00 0.00 0.91 0.00 0.00 2.15 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 1.17 7.81 50 S 7.92 4.11 0.00 4.01 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 51 L 7.95 3.99 0.00 1.85 1.76 1.08 0.71 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 52 V 7.92 3.69 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 0.89 0.00 0.00 0.89 0.00 0.00 53 S 8.38 4.10 0.00 4.01 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 54 E 8.17 4.18 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 55 E 8.24 4.27 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 56 L 8.14 4.98 0.00 1.97 1.91 1.14 0.82 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 57 T 7.86 3.90 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 1.28 0.00 0.00 58 P 0.00 4.08 0.00 0.54 1.64 0.00 3.32 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 59 F 7.66 4.99 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.85 5.07 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 61 S 8.92 4.58 0.00 3.99 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 62 S 7.74 5.13 0.00 3.93 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 63 I 8.60 4.99 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.98 0.00 0.00 64 L 9.27 5.01 0.00 1.75 1.58 0.95 0.54 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 65 L 8.83 5.32 0.00 1.50 1.40 0.92 0.96 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 66 D 8.26 4.98 0.00 2.64 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 67 P 0.00 4.33 0.00 0.81 1.15 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.85 0.00 68 E 8.01 4.00 0.00 1.99 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 2.26 2.24 0.00 69 Y 8.43 4.58 0.00 2.73 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 70 G 7.92 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 71 L 7.73 3.91 0.00 1.71 1.74 1.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.24 0.00 2.13 2.12 0.00 3.76 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 2.29 2.18 0.00 73 A 7.64 4.11 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 74 S 8.09 4.09 0.00 4.05 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 75 R 7.60 4.11 0.00 2.03 2.03 0.00 3.13 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 76 V 7.22 4.29 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 0.88 0.00 0.00 1.05 0.00 0.00 77 R 6.93 4.04 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 78 S 8.39 4.24 0.00 3.97 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 79 E 8.83 3.81 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 80 E 7.72 4.07 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 81 A 7.98 4.33 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 82 G 8.60 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 83 L 9.23 5.33 0.00 1.69 1.44 0.94 0.63 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 84 L 9.02 5.13 0.00 1.50 1.35 0.82 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.16 5.13 0.00 1.43 1.27 0.71 0.37 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 86 A 8.69 4.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.04 5.00 0.00 3.09 3.30 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 88 E 7.90 4.59 0.00 1.32 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 89 K 8.66 4.22 0.00 1.65 1.80 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.58 7.81 90 T 8.50 3.97 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 91 G 9.28 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.37 4.63 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.60 4.43 0.00 2.69 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 94 A 8.35 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.98 4.08 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 1.24 0.00 0.00 96 T 7.12 4.56 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 1.22 0.00 0.00 97 T 8.25 4.45 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 1.30 0.00 0.00 98 S 8.08 4.25 0.00 4.03 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 99 R 7.87 3.56 0.00 1.56 1.59 0.00 2.21 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.95 0.00 100 L 7.45 4.23 0.00 1.62 1.55 0.98 1.16 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 0.00 101 P 0.00 4.57 0.00 2.01 2.32 0.00 3.76 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 1.56 2.02 0.00 102 D 8.42 4.52 0.00 2.68 2.54 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 0.00 103 C 9.39 4.90 0.00 2.92 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.91 4.19 0.00 2.03 1.93 0.83 1.17 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 0.00 105 D 8.98 4.46 0.00 2.73 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 0.00 106 V 7.89 4.30 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 0.69 0.00 0.00 0.80 0.00 0.00 107 W 7.81 4.79 0.00 3.45 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 0.00 108 S 8.52 5.38 0.00 4.16 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 0.00 109 A 8.93 3.62 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 0.00 110 K 7.93 3.79 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.70 7.81 111 R 7.90 4.16 0.00 2.15 1.81 0.00 3.01 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 112 I 8.23 3.74 1.87 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.81 0.00 0.00 113 K 8.37 3.86 0.00 1.79 2.10 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.55 7.81 114 E 8.49 4.00 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 115 A 7.97 4.31 1.55 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 0.00 0.00 116 G 7.98 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 0.00 117 A 7.45 4.10 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 0.00 118 E 8.83 4.59 0.00 1.89 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 2.39 2.29 0.00 119 A 7.51 4.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.89 4.73 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 1.09 0.00 0.00 0.82 0.00 0.00 121 K 8.93 5.43 0.00 2.03 1.90 0.00 1.25 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 122 F 9.33 5.23 0.00 3.51 3.24 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 0.00 123 L 7.70 4.78 0.00 1.44 1.21 0.78 0.10 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 0.00 124 L 8.90 4.80 0.00 1.80 1.33 1.10 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.55 5.57 0.00 2.78 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 0.00 126 Y 9.00 4.91 0.00 3.10 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 0.00 127 D 7.69 4.46 0.00 1.60 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 0.00 0.00 0.00 128 I 8.57 3.80 2.00 0.00 0.00 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 1.44 0.84 0.94 0.00 0.00 129 D 7.99 4.60 0.00 2.77 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 0.00 130 G 7.65 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.72 4.35 0.00 2.80 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 0.00 132 Q 8.72 4.06 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 133 D 8.15 4.41 0.00 2.90 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 0.00 134 V 8.11 3.63 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 1.07 0.00 0.00 0.95 0.00 0.00 135 N 8.23 4.59 0.00 2.84 3.04 0.00 0.00 7.07 7.70 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 0.00 136 E 8.29 4.05 0.00 2.20 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 0.00 2.40 2.52 0.00 137 Q 8.11 4.07 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 138 K 8.34 4.12 0.00 2.38 2.21 0.00 2.06 0.00 0.00 2.05 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.75 7.81 139 K 8.98 4.28 0.00 2.10 2.31 0.00 1.93 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.84 7.81 140 A 8.55 4.14 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 0.00 141 Y 8.30 3.90 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.15 3.80 2.29 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 1.81 0.25 1.17 0.00 0.00 143 E 8.71 4.12 0.00 2.28 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 2.29 2.70 0.00 144 R 7.84 3.82 0.00 1.69 1.77 0.00 2.78 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 145 I 7.30 3.54 1.52 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 0.32 0.00 0.00 146 G 8.21 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 0.00 0.00 0.00 147 S 8.11 4.13 0.00 3.97 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 0.00 148 E 8.21 3.91 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 149 C 8.00 4.11 0.00 2.85 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 0.00 150 R 7.87 3.87 0.00 2.03 2.11 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 151 A 7.77 4.03 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 0.00 152 E 8.20 4.10 0.00 1.92 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 2.48 2.50 0.00 153 D 7.76 4.36 0.00 2.76 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 0.00 154 I 7.80 4.72 1.87 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 1.25 1.07 0.93 0.00 0.00 155 P 0.00 4.61 0.00 2.29 2.12 0.00 3.85 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 2.25 2.12 0.00 156 F 10.30 5.50 0.00 3.03 3.22 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 0.00 157 Y 9.64 4.74 0.00 3.05 2.92 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 0.00 158 L 8.24 4.69 0.00 0.84 1.12 0.88 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.13 4.85 0.00 2.09 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 2.21 2.38 0.00 160 I 8.42 4.80 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.59 0.96 0.00 0.00 161 L 8.56 4.78 0.00 1.23 1.59 0.95 0.23 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 0.00 162 T 9.30 5.31 4.47 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 1.41 0.00 0.00 163 Y 8.22 4.75 0.00 2.79 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 0.00 164 D 8.42 4.90 0.00 2.91 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 0.00 165 E 9.04 4.08 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 166 K 8.64 4.38 0.00 1.81 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 167 I 7.45 4.33 1.94 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 1.27 0.81 1.01 0.00 0.00 168 A 8.52 4.01 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 0.00 169 D 7.81 4.58 0.00 2.65 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 0.00 170 N 8.73 3.88 0.00 2.70 2.71 0.00 0.00 7.04 8.15 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 0.00 171 A 7.87 4.12 1.37 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 0.00 0.00 172 S 7.56 4.33 0.00 4.21 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 0.00 173 P 0.00 3.31 0.00 2.06 1.96 0.00 3.69 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 2.19 2.42 0.00 174 E 8.00 3.90 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 175 F 8.16 4.23 0.00 3.16 3.29 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 0.00 176 A 8.17 3.94 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 0.00 177 K 7.72 4.25 0.00 1.89 1.81 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.34 7.81 178 V 7.29 4.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.84 0.00 0.00 179 K 7.49 3.29 0.00 1.58 1.79 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.34 7.81 180 A 7.74 3.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.01 4.04 0.00 3.15 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 K 7.70 3.98 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.41 7.81 183 V 7.51 3.66 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 0.87 0.00 0.00 0.98 0.00 0.00 184 N 7.98 4.42 0.00 2.89 2.76 0.00 0.00 7.10 7.68 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 0.00 185 E 7.95 4.07 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 186 A 7.57 4.08 1.55 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 0.00 0.00 *188 K 8.19 4.21 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.57 7.81 189 V 7.76 3.23 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.87 0.00 0.00 190 F 7.50 4.31 0.00 2.90 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 0.00 191 S 7.44 4.46 0.00 3.69 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.76 4.02 0.00 2.10 1.73 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.43 7.81 193 E 9.03 3.99 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 194 R 7.72 3.91 0.00 1.65 1.82 0.00 2.80 0.00 0.00 2.75 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 195 F 8.22 4.64 0.00 3.40 3.34 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 0.00 196 G 8.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.96 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 0.58 0.00 0.00 0.90 0.00 0.00 198 D 8.74 4.61 0.00 2.65 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 0.00 199 V 6.96 4.32 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 0.73 0.00 0.00 0.25 0.00 0.00 200 L 8.52 4.66 0.00 1.67 1.54 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 201 K 9.04 5.00 0.00 1.90 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 202 V 8.83 4.96 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 0.72 0.00 0.00 1.21 0.00 0.00 203 E 8.82 4.62 0.00 1.92 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 2.39 2.38 0.00 204 V 8.25 3.37 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.38 0.00 0.00 205 P 0.00 4.49 0.00 1.90 1.91 0.00 2.97 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 0.94 1.53 0.00 206 V 6.90 3.97 1.73 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 0.34 0.00 0.00 0.73 0.00 0.00 207 N 8.05 4.57 0.00 2.88 3.01 0.00 0.00 7.16 6.50 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 *209 K 8.42 4.26 0.00 2.04 1.60 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 210 F 8.07 5.06 0.00 3.23 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 0.00 211 V 7.40 5.56 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 212 E 8.78 4.25 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 213 G 9.12 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 0.00 214 F 7.79 4.57 0.00 2.92 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 0.00 215 A 7.84 4.53 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 0.00 216 D 8.76 4.63 0.00 2.60 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 0.00 217 G 7.05 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 0.00 218 E 8.68 4.04 0.00 1.97 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 2.33 2.29 0.00 219 V 8.29 4.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 220 L 8.80 4.39 0.00 1.54 1.07 0.27 0.63 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 0.00 221 F 8.57 5.09 0.00 3.29 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 T 8.45 4.61 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 1.29 0.00 0.00 223 K 8.63 4.20 0.00 1.99 2.22 0.00 2.11 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.71 1.63 7.81 224 E 8.25 4.03 0.00 2.02 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 2.35 2.54 0.00 225 E 8.02 4.11 0.00 2.05 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 0.00 2.59 2.89 0.00 226 A 7.87 3.92 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 0.00 227 A 8.41 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 Q 8.28 3.94 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 229 A 7.91 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 F 7.73 4.14 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 R 7.97 4.15 0.00 2.07 2.25 0.00 2.80 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 232 D 7.85 4.34 0.00 2.72 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 0.00 233 Q 7.95 4.17 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 234 E 8.17 4.02 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 235 A 7.57 4.28 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 0.00 236 S 7.63 4.22 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 T 6.97 4.65 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 238 D 8.58 4.68 0.00 2.71 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 0.00 239 L 7.61 4.23 0.00 1.64 1.60 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 240 P 0.00 4.72 0.00 1.87 2.04 0.00 3.80 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 2.19 2.00 0.00 241 Y 8.92 5.50 0.00 3.04 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 0.00 242 I 8.69 4.95 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.95 0.00 0.00 243 Y 8.40 5.60 0.00 3.09 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 0.00 244 L 8.84 5.01 0.00 1.80 1.85 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 245 S 8.39 3.42 0.00 2.93 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 0.00 246 A 7.70 3.64 1.08 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 0.00 247 G 8.90 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 0.00 248 V 7.33 3.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.03 0.00 0.00 249 S 8.33 4.33 0.00 4.05 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 0.00 250 A 8.55 4.02 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 0.00 251 K 8.03 3.86 0.00 1.89 1.84 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.60 7.81 252 L 7.53 4.08 0.00 1.60 1.71 0.96 0.98 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 0.00 253 F 8.26 4.22 0.00 3.05 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 0.00 254 Q 8.24 3.89 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 255 D 8.09 4.43 0.00 2.99 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 0.00 256 T 7.78 3.68 4.11 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 1.08 0.00 0.00 257 L 7.54 3.62 0.00 1.72 1.69 0.78 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 258 V 7.42 3.55 2.29 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 1.02 0.00 0.00 1.02 0.00 0.00 259 F 8.27 4.30 0.00 3.13 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 0.00 260 A 7.73 2.58 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 0.00 261 A 7.87 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 E 8.12 3.87 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 263 S 7.10 4.23 0.00 3.67 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 0.00 264 G 7.48 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 A 8.03 4.53 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 K 8.57 4.55 0.00 1.90 1.75 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 267 F 7.76 3.33 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 N 9.70 5.62 0.00 2.78 2.90 0.00 0.00 6.80 7.27 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 0.00 269 G 6.96 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 0.00 0.00 0.00 0.00 270 V 8.64 5.09 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.17 0.00 0.00 271 L 8.90 4.83 0.00 1.61 1.69 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 272 C 9.08 4.15 0.00 3.13 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 0.00 273 G 8.65 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 0.00 0.00 0.00 274 R 8.45 2.51 0.00 1.51 1.57 0.00 3.00 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.41 0.00 275 A 7.66 3.82 1.17 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 0.00 0.00 276 T 7.72 4.16 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 1.32 0.00 0.00 277 W 6.96 4.97 0.00 3.36 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 0.00 278 A 7.55 3.92 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 0.00 279 G 8.01 3.27 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 0.00 280 S 6.60 3.50 0.00 4.02 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 0.00 281 V 7.31 3.51 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 1.07 0.00 0.00 1.10 0.00 0.00 282 K 7.77 3.49 0.00 1.63 1.59 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.11 7.81 283 V 7.02 3.48 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 1.09 0.00 0.00 0.75 0.00 0.00 284 Y 8.36 4.27 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 I 7.42 3.54 1.88 0.00 0.00 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 1.57 0.79 0.93 0.00 0.00 286 E 8.01 4.18 0.00 1.98 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 2.32 2.41 0.00 287 E 8.21 4.44 0.00 2.05 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 2.21 2.19 0.00 288 G 7.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 289 P 0.00 4.56 0.00 2.39 2.58 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 290 Q 8.09 3.95 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 291 A 8.07 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 A 8.04 4.06 1.60 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 0.00 0.00 293 R 8.42 3.94 0.00 2.06 2.22 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 294 E 8.51 4.03 0.00 2.20 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 0.00 2.36 2.42 0.00 295 W 8.43 4.19 0.00 3.61 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 0.00 296 L 8.76 4.25 0.00 2.09 1.92 1.11 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 297 R 7.98 4.18 0.00 2.08 1.99 0.00 3.41 0.00 0.00 3.55 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 298 T 7.43 4.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 299 E 7.27 3.62 0.00 1.39 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 300 G 7.07 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 0.00 0.00 0.00 301 F 7.99 4.13 0.00 2.90 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 0.00 302 K 7.89 3.41 0.00 1.77 1.84 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.39 7.81 303 N 7.90 4.22 0.00 2.92 2.83 0.00 0.00 6.73 6.89 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 0.00 304 I 7.47 3.82 1.95 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 1.52 1.44 1.04 0.00 0.00 305 D 7.95 4.02 0.00 1.83 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 0.00 0.00 0.00 0.00 306 E 7.74 3.74 0.00 2.26 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 2.40 2.29 0.00 307 L 7.88 3.98 0.00 1.89 1.90 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 308 N 8.34 4.36 0.00 3.00 2.89 0.00 0.00 7.06 6.77 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 0.00 309 K 7.81 4.03 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 310 V 7.68 3.74 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 0.96 0.00 0.00 311 L 8.17 4.07 0.00 1.97 1.76 1.04 1.56 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 0.00 312 D 8.02 4.37 0.00 2.80 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 0.00 313 K 7.71 4.31 0.00 1.71 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 314 T 7.53 4.31 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 1.50 0.00 0.00 315 A 7.73 3.31 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 0.00 316 S 8.07 4.65 0.00 3.53 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 0.00 317 P 0.00 4.66 0.00 1.87 1.89 0.00 3.48 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 1.98 1.95 0.00 318 W 9.01 4.48 0.00 3.40 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 0.00 319 T 6.76 3.95 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 -0.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.