NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3680 8.2549 119.0726 56.1022 32.0803 176.7403 4 K 4.0268 8.2035 116.7734 58.2745 32.4703 175.4177 5 N 4.9115 7.8775 114.1783 50.8797 41.3922 174.3704 6 I 3.6287 8.2279 120.7761 61.6366 38.4158 175.5764 7 S 4.3491 8.4902 123.2898 58.1159 63.1882 173.9323 8 L 4.3817 8.3654 125.9695 54.2276 42.6151 176.5877 9 T 4.6895 7.9506 111.6803 59.6020 72.9434 175.1374 10 E 3.9680 8.5421 120.4401 59.3274 29.4314 179.6550 11 S 4.1803 7.9994 114.0559 61.0007 63.2842 176.1666 12 L 4.0325 7.9741 124.1709 58.0160 41.8222 178.7228 13 E 4.0176 8.5907 119.0199 59.2321 29.3536 178.8762 14 E 3.9651 8.5371 119.6857 59.4464 29.8582 178.1719 15 Y 4.0222 8.1460 119.4931 60.7967 38.5177 178.1116 16 I 3.7641 8.2266 120.7847 64.3776 37.2627 177.9318 17 F 4.1338 8.3686 121.3242 61.6982 39.0240 177.5364 18 R 3.9452 8.1327 115.5523 58.1116 29.8367 177.7330 19 N 4.7486 7.2897 113.8398 52.7752 39.0119 175.0475 20 S 4.3673 7.4783 111.9394 59.1321 66.9668 174.6642 21 V 4.2766 7.2914 120.7354 61.2610 31.2885 176.0094 22 R 4.3117 8.4900 126.9621 53.9806 30.0725 172.7104 23 E 4.2726 7.9626 120.6414 53.6320 31.2694 174.7686 24 P 4.2880 0.0000 0.0000 62.5812 33.2534 176.9768 25 D 4.4806 8.8386 121.2421 57.7980 40.7695 179.3737 26 S 4.3149 8.2212 113.0008 61.5214 62.6002 176.0966 27 F 4.1191 8.6982 120.0715 60.4082 38.7446 177.1624 28 L 4.0555 8.1486 119.9018 58.1348 41.8425 178.8226 29 K 3.9611 8.3810 119.6379 59.5422 32.1255 178.3315 30 L 3.2679 7.8349 120.4097 57.9226 41.7574 179.1887 31 R 3.7836 7.8778 117.7256 59.1807 29.8051 179.0630 32 K 3.8984 7.8635 116.8619 59.4217 32.3543 178.6891 33 E 4.0874 8.4042 119.5412 59.7687 29.6713 178.8652 34 T 3.7926 8.2983 116.2703 66.6454 68.2282 176.5623 35 G 3.7406 8.2245 107.3034 48.1105 0.0000 175.4218 36 T 4.1376 7.7645 110.7741 63.2873 68.9693 174.9495 37 L 4.6099 7.6291 119.1347 55.5733 42.0197 176.6945 *41 N 4.6236 7.9789 117.4014 53.7811 40.4414 175.0834 42 M 4.0770 8.0700 115.8099 56.7226 32.2960 175.2306 43 Q 4.7835 7.3786 115.7098 54.6111 31.0987 175.2466 44 I 4.0989 7.9821 112.7102 60.1975 38.8729 176.2486 45 S 4.3791 8.2439 116.1407 57.1943 65.2424 173.3016 46 P 4.6313 0.0000 0.0000 65.5595 31.0303 178.4880 47 E 4.0135 8.2829 118.0114 59.3518 29.3709 178.7450 48 E 4.1911 8.2973 119.0042 59.0973 29.6684 178.6731 49 G 3.9814 8.2775 105.9644 48.4896 0.0000 175.6150 50 Q 4.0369 8.3201 120.3948 58.0940 28.6924 178.5319 51 F 4.3809 8.1400 121.7355 61.3981 39.4946 177.2154 52 L 3.7608 8.1701 118.8645 57.4340 41.1919 178.8549 53 N 4.1642 8.1776 117.1985 56.8681 38.8432 176.7817 54 I 3.6907 7.8915 119.9306 64.0436 38.1065 177.7883 55 L 3.8904 7.8612 119.8802 57.9403 41.1244 179.5787 56 T 3.9291 7.7463 114.8860 66.5986 68.6677 176.5744 57 K 4.1316 7.8711 119.8961 59.4936 31.9488 179.2871 58 I 3.7078 7.7211 119.2492 64.6933 37.1842 178.4082 59 S 4.3289 8.1097 113.1789 59.1018 62.9107 175.0276 60 G 3.8217 7.6693 109.0862 45.9791 0.0000 173.5127 61 A 4.0998 7.6115 122.3795 52.1453 18.9390 178.5096 62 K 4.5901 9.4088 119.6922 55.8386 35.5363 175.9743 63 R 4.8799 8.0555 118.6273 54.3746 33.4740 174.1834 64 I 4.8129 8.9503 125.3306 59.3323 40.6140 174.7843 65 I 4.7106 7.9514 126.5284 59.3527 40.1850 173.9691 66 E 4.8810 9.3595 128.4970 54.7785 31.7486 174.7184 67 I 3.9688 8.9898 129.4897 62.6233 38.0206 175.4252 68 G 4.3836 9.1962 115.4920 47.7047 0.0000 171.1122 69 T 5.1223 9.0394 121.4297 62.6542 71.6377 175.5106 70 F 3.9874 8.9302 123.1089 60.0801 39.6358 176.6300 71 T 4.1106 7.5444 107.2806 61.6341 69.0889 175.7319 72 G 4.1665 8.1258 111.9297 45.9553 0.0000 175.0948 73 Y 3.7196 8.3597 122.0930 60.4685 38.7252 178.2207 74 S 3.9614 8.3189 115.0198 61.4140 63.1335 176.2487 75 S 4.4026 8.3492 117.5200 61.2980 62.6526 176.1663 76 L 3.9686 7.9860 123.8516 57.9470 41.6987 178.8177 77 C 4.1837 7.4911 116.2936 62.7062 28.0576 176.0668 78 F 4.2965 8.1487 119.4407 60.6790 38.3473 177.6387 79 A 4.0575 8.3185 119.6282 55.1354 18.2340 179.4538 80 S 4.3088 8.0401 111.4951 61.0883 63.4252 176.2682 81 A 4.1153 7.9523 123.9832 53.8835 18.4950 178.1805 82 L 4.0799 7.3463 116.6586 54.0535 42.4620 175.3060 83 P 4.5456 0.0000 0.0000 61.9282 32.3102 176.6206 84 E 3.9541 8.8348 119.3327 59.2177 29.2175 177.1006 85 D 4.7283 8.0108 114.7216 53.0937 40.0335 176.3354 86 G 4.0168 8.1569 108.0022 46.2966 0.0000 173.7169 87 K 5.2153 9.3151 120.5813 54.4896 37.2614 175.1231 88 I 4.9855 8.7790 122.8862 59.1675 41.3630 173.5908 89 L 4.7342 8.5098 131.6087 53.6171 43.9327 174.5063 90 C 5.1657 9.0904 124.4780 58.3434 30.7899 172.4103 91 C 5.3563 9.2553 121.4288 58.0676 30.5387 172.5962 92 D 5.0501 8.5808 122.3859 53.2041 44.3631 176.3355 93 V 3.7735 8.6808 115.9076 62.4965 32.3237 176.1252 94 S 4.6221 8.3920 115.6675 56.2277 63.3304 174.0545 95 E 3.9023 8.7869 129.0936 59.2148 28.9414 178.0209 96 E 3.6803 7.8644 118.7995 59.1698 29.6238 178.8013 97 W 4.4287 7.9041 119.0583 59.9101 29.1717 178.7666 98 T 3.9046 7.8908 109.4832 64.2395 68.2653 176.3489 99 N 4.1832 8.1602 120.1280 56.2729 38.3865 177.3497 100 V 3.5786 7.3061 119.1225 65.6813 31.5235 177.7962 101 A 4.1356 7.5171 121.9098 54.5773 18.0758 179.6980 102 R 3.3444 7.4004 117.2305 58.8949 30.0447 178.3103 103 K 3.6762 7.6364 119.2553 59.9548 32.1786 178.2244 104 Y 4.0385 7.6460 116.6121 60.2702 37.8308 177.7519 105 W 4.5378 8.3046 120.5180 59.9700 29.2354 178.4687 106 K 4.1165 8.6117 119.7148 59.5176 31.4602 178.3406 107 E 3.9626 7.9651 118.5403 58.8795 29.5512 177.6108 108 N 4.8800 8.0252 113.0375 51.8710 39.2825 174.8932 109 G 3.9517 8.0089 108.3833 47.3259 0.0000 175.1480 110 L 4.5775 8.2463 118.7925 54.2323 42.7310 177.5092 111 E 3.8971 8.2654 119.6511 59.5225 29.1565 178.6106 112 N 4.2515 8.1079 115.5816 55.6697 37.5340 176.4601 113 K 4.2960 8.2569 119.0671 56.1567 32.5594 175.9035 114 I 4.8646 6.9082 120.3002 59.2843 39.3815 175.1175 115 F 4.8521 9.2587 124.6804 55.5892 42.6346 174.1117 116 L 5.2574 8.4841 122.0691 53.4381 45.2228 175.2644 117 K 4.2796 8.8979 126.6135 54.5243 34.8820 174.9660 118 L 4.5017 8.6887 127.6791 54.6809 42.9699 176.2284 119 G 3.7542 8.2753 108.0727 43.4013 0.0000 173.4225 120 S 4.1111 8.6637 113.8535 58.5976 62.9226 174.8038 121 A 4.1224 8.8238 131.7685 55.0222 18.2858 178.8306 122 L 3.9942 8.2535 117.4642 58.1844 41.6153 179.2315 123 E 4.0176 7.8367 117.6555 59.3721 29.6297 178.7076 124 T 3.8791 7.9704 115.8091 66.8189 68.5663 176.5383 125 L 4.2026 8.3874 121.0202 57.8150 41.6973 179.3728 126 Q 4.0116 8.0704 119.0672 59.2142 29.1762 178.2432 127 V 3.7075 8.1233 119.4132 66.1643 31.5434 177.7236 128 L 4.0897 8.3188 119.8953 58.2497 41.8082 178.9734 129 I 3.7675 8.0604 119.7580 64.4665 36.9169 177.7184 130 D 4.6609 8.0890 117.0480 54.4199 41.1338 177.1948 131 S 4.2038 7.4532 116.3648 58.7668 63.2134 174.6329 132 K 4.2760 8.7716 125.5376 58.3582 32.2485 176.9086 133 S 4.0936 7.3174 110.1111 55.1779 66.0466 173.1985 134 A 3.2850 7.1268 124.0144 50.8805 18.6663 176.0663 135 P 4.1418 0.0000 0.0000 61.9624 32.2633 177.3433 136 S 4.0228 8.6909 115.1645 61.5013 62.4787 176.5392 137 W 4.5310 7.6726 114.6285 57.2329 28.4506 176.0156 138 A 4.6208 7.8964 121.5684 51.4688 19.4391 175.4968 139 S 4.3046 7.7278 113.1113 60.2477 62.6522 173.8975 140 D 4.5688 8.9563 125.5108 54.9626 37.6856 173.6142 141 F 4.1437 7.1873 119.3064 56.8656 41.0184 175.2452 142 A 4.2293 7.6987 122.0311 52.2155 21.8328 175.4807 143 F 4.6958 8.3256 113.3826 56.9042 40.3171 174.7335 144 G 3.9564 9.0869 109.7189 43.9615 0.0000 171.6806 145 P 4.3741 0.0000 0.0000 63.4918 32.0111 176.3109 146 S 4.0607 9.1854 113.4930 59.0094 61.0274 173.3352 147 S 4.5948 8.2948 111.4710 57.5478 64.6131 173.9195 148 I 4.3607 7.3947 122.4046 59.6838 39.6405 175.8372 149 D 4.4511 8.5666 124.6715 56.6866 42.1657 176.4426 150 L 5.2167 7.5501 118.8318 53.5859 45.9772 174.5655 151 F 5.1613 9.5785 124.4791 55.6028 42.6389 173.8924 152 F 5.5000 9.0551 125.4522 56.6103 41.4611 173.8714 153 L 4.5022 8.6686 129.7299 53.0120 43.1911 176.6553 154 D 4.7468 8.9806 130.4186 53.0578 41.0287 174.0056 155 A 5.0706 7.8230 123.2324 51.2234 19.9634 177.5146 156 D 4.4644 8.7206 116.5973 53.8778 39.9949 177.7002 157 K 2.8293 8.4271 125.0479 58.7908 31.6598 178.9750 158 E 4.0948 7.9286 116.5218 58.7709 29.7431 177.7663 159 N 4.6604 8.0113 115.7662 53.1250 38.7965 176.0024 160 Y 4.3846 7.9302 120.7646 61.2603 37.7997 177.1898 161 P 4.6105 0.0000 0.0000 65.4680 31.7502 177.9949 162 N 4.5252 8.2851 115.6035 56.0972 38.4648 177.0876 163 Y 4.1703 7.6462 117.8117 60.9929 37.9815 177.2989 164 Y 4.3262 8.1534 120.4721 60.6323 38.9151 176.8044 165 P 4.0139 0.0000 0.0000 65.6469 31.3411 178.3134 166 L 3.9301 7.3214 116.3703 57.5798 41.5052 179.3267 167 I 2.6825 7.7232 119.9931 64.1524 36.7454 178.4546 168 L 3.8281 7.2155 118.2318 57.5102 41.5911 179.2878 169 K 4.0370 7.8434 119.4945 59.5595 32.1454 178.9864 170 L 4.1701 7.9925 119.2086 56.5682 41.8611 177.3388 171 L 4.7471 8.0344 119.7761 54.4481 42.8372 177.5912 172 K 4.5756 8.9332 122.6713 55.0705 33.4716 174.7670 173 P 4.4560 0.0000 0.0000 64.2271 31.4701 177.3019 174 G 3.9127 9.5404 112.8166 45.1703 0.0000 173.9333 175 G 3.9114 7.9716 107.3084 46.0209 0.0000 172.3361 176 L 5.2790 8.9511 122.6089 52.9189 45.1978 174.6684 177 L 5.1890 9.5109 129.1548 53.6034 44.4151 174.7927 178 I 5.1057 9.3837 127.5707 59.8420 39.3844 174.2988 179 A 4.9374 9.2388 130.3417 50.1245 20.9775 175.1463 180 D 4.8459 8.6903 123.2469 53.9728 42.9159 175.5687 181 N 4.8039 8.7542 118.0530 54.6767 36.3950 176.9876 182 V 3.8836 8.1329 111.9987 63.2739 32.0415 177.0119 183 L 4.3780 8.2964 119.3332 53.7727 43.2517 175.9627 184 W 4.1194 8.7505 128.3146 57.4943 29.2505 174.0263 185 D 4.0236 10.2407 111.9716 55.0718 40.4134 174.3016 186 G 4.0311 8.3709 107.3644 44.7871 0.0000 176.2451 187 S 4.0788 7.9396 114.7458 61.3103 63.0553 177.1121 188 V 3.6025 7.9968 113.0855 64.0725 31.3216 176.7870 189 A 4.1394 7.8175 120.0421 52.7673 18.9205 176.4073 190 D 4.8056 7.9834 116.5109 52.0926 41.5531 176.6425 191 L 4.2195 8.4247 126.9743 56.6586 41.9362 178.9431 192 S 4.1077 8.1284 114.9253 61.2426 62.8526 174.0905 193 H 4.5673 8.2240 117.8499 55.3392 27.8824 174.9324 194 Q 4.7126 8.3155 125.2694 54.8920 29.9889 176.5722 195 E 4.1455 8.3288 117.0800 55.9453 31.4439 175.4177 196 P 4.2429 0.0000 0.0000 65.8505 31.4075 179.1294 197 S 3.9292 8.0174 112.2505 61.8180 62.9177 176.3846 198 T 3.8621 8.0344 119.6902 66.0938 68.2824 176.4296 199 V 3.6832 8.1856 120.4068 65.9012 31.4095 178.3151 200 G 3.5407 7.9769 105.3698 47.8724 0.0000 175.8266 201 I 3.6531 7.5224 122.6396 63.8945 37.0840 178.5487 202 R 3.9457 8.1928 119.2717 59.3888 29.8791 179.0620 203 K 3.9611 8.1990 119.1339 59.2473 32.1548 178.3777 204 F 3.9929 8.5929 121.3914 61.5718 39.3193 176.7903 205 N 4.2205 8.6367 116.1680 56.2789 38.3700 176.9935 206 E 3.9424 8.2454 120.5021 59.2003 29.5372 178.6861 207 L 3.8623 7.6681 117.8814 57.8085 41.9653 179.3940 208 V 3.3268 7.0746 117.8657 66.1024 31.1725 177.3814 209 Y 4.1004 7.7555 117.7486 60.4244 38.7340 176.8798 210 N 4.7145 7.9968 114.2004 52.3490 39.3594 174.5368 211 D 4.6165 7.5706 122.0950 52.6756 40.7652 176.8132 212 S 4.3450 8.4829 121.1621 59.6542 63.3142 174.8543 213 L 4.3274 8.4250 121.3693 55.7149 41.8750 176.2025 214 V 5.0775 7.5502 110.9378 59.6864 35.7833 174.4906 215 D 5.2535 8.7895 121.5642 52.6156 44.0381 175.8702 216 V 5.0302 8.2911 119.5386 60.0767 34.8353 174.7006 217 S 4.6194 9.2673 117.7149 56.5763 65.4209 172.2472 218 L 5.0197 8.7842 129.8955 53.7592 42.7897 175.2743 219 V 4.2854 9.0461 128.4771 60.1222 33.0062 175.1242 220 P 4.6881 0.0000 0.0000 62.6247 31.2121 175.8180 221 I 4.2658 7.4833 117.8502 61.3152 41.0366 175.3721 222 A 3.5475 8.0107 128.9462 53.9370 17.3919 177.6111 223 D 4.7990 9.0100 117.0258 56.1998 41.5620 174.4418 224 G 4.0081 8.8633 107.9138 45.3465 0.0000 173.2628 225 V 4.9799 8.8380 123.5535 61.3515 34.8110 174.1683 226 S 5.2539 9.2929 124.7552 57.4214 64.8888 173.1910 227 L 5.0202 9.3194 125.6274 53.5863 43.1812 175.8352 228 V 4.7794 9.3219 125.0844 61.1788 34.3549 173.9967 229 R 5.0317 8.8635 129.5915 54.2107 32.3712 174.8588 230 K 4.4014 9.0100 129.0661 56.2299 32.9986 176.5396 231 R 4.4021 8.7348 127.5367 55.9559 30.7486 176.9374 232 L 3.9976 8.3919 121.5058 54.9666 42.4824 177.8207 233 E 4.3523 8.3872 122.8685 54.9006 28.1819 176.1261 234 H 4.5310 7.6510 117.1141 55.4092 28.7183 174.7644 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 R 8.25 4.37 0.00 1.85 1.92 0.00 3.23 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 4 K 8.20 4.03 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.53 7.81 5 N 7.88 4.91 0.00 2.70 2.72 0.00 0.00 6.80 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 6 I 8.23 3.63 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 1.40 0.73 0.91 0.00 0.00 7 S 8.49 4.35 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.37 4.38 0.00 1.63 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.95 4.69 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 1.20 0.00 0.00 10 E 8.54 3.97 0.00 2.02 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 2.38 2.35 0.00 11 S 8.00 4.18 0.00 4.07 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 0.00 12 L 7.97 4.03 0.00 1.80 1.86 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.59 4.02 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 14 E 8.54 3.97 0.00 2.14 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 2.34 2.44 0.00 15 Y 8.15 4.02 0.00 3.20 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 16 I 8.23 3.76 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.97 0.00 0.00 17 F 8.37 4.13 0.00 3.35 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 18 R 8.13 3.95 0.00 1.85 1.85 0.00 3.24 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 19 N 7.29 4.75 0.00 2.39 2.60 0.00 0.00 6.74 6.86 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 20 S 7.48 4.37 0.00 3.92 3.86 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 21 V 7.29 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 22 R 8.49 4.31 0.00 1.68 1.72 0.00 3.17 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 23 E 7.96 4.27 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 24 P 0.00 4.29 0.00 1.87 1.79 0.00 2.79 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.75 0.00 25 D 8.84 4.48 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.22 4.31 0.00 4.09 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 27 F 8.70 4.12 0.00 3.27 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 28 L 8.15 4.06 0.00 2.05 1.95 0.98 0.60 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 29 K 8.38 3.96 0.00 2.12 2.26 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.60 7.81 30 L 7.83 3.27 0.00 0.27 1.39 0.52 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.88 3.78 0.00 2.05 1.86 0.00 2.93 0.00 0.00 2.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.92 0.00 32 K 7.86 3.90 0.00 1.92 1.90 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 33 E 8.40 4.09 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 34 T 8.30 3.79 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 1.03 0.00 0.00 35 G 8.22 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 36 T 7.76 4.14 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 1.30 0.00 0.00 37 L 7.63 4.61 0.00 1.83 1.91 0.43 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *41 N 7.98 4.62 0.00 2.80 2.83 0.00 0.00 6.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.07 4.08 0.00 1.21 1.71 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.94 0.00 43 Q 7.38 4.78 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 44 I 7.98 4.10 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.57 1.22 0.00 0.00 45 S 8.24 4.38 0.00 4.30 4.02 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 46 P 0.00 4.63 0.00 2.46 2.74 0.00 3.89 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 2.34 2.15 0.00 47 E 8.28 4.01 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 48 E 8.30 4.19 0.00 2.16 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 2.44 2.56 0.00 49 G 8.28 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 50 Q 8.32 4.04 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 51 F 8.14 4.38 0.00 3.19 3.33 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 52 L 8.17 3.76 0.00 1.43 0.92 0.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.18 4.16 0.00 2.79 2.98 0.00 0.00 6.84 7.62 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 54 I 7.89 3.69 2.02 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 1.53 1.45 0.96 0.00 0.00 55 L 7.86 3.89 0.00 1.54 1.59 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.75 3.93 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 57 K 7.87 4.13 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.66 7.81 58 I 7.72 3.71 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 0.92 0.00 0.00 59 S 8.11 4.33 0.00 4.04 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 60 G 7.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.61 4.10 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 62 K 9.41 4.59 0.00 1.58 1.74 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.49 7.81 63 R 8.06 4.88 0.00 1.37 1.18 0.00 2.21 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.00 64 I 8.95 4.81 1.72 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 1.04 0.68 0.32 0.00 0.00 65 I 7.95 4.71 0.60 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.95 0.00 0.00 66 E 9.36 4.88 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 67 I 8.99 3.97 1.54 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.31 0.00 0.00 68 G 9.20 4.38 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 0.00 69 T 9.04 5.12 4.55 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 1.52 0.00 0.00 70 F 8.93 3.99 0.00 2.93 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.54 4.11 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 0.23 0.00 0.00 72 G 8.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.36 3.72 0.00 3.01 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 74 S 8.32 3.96 0.00 3.72 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 0.00 75 S 8.35 4.40 0.00 4.28 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.99 3.97 0.00 1.74 1.05 1.06 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.49 4.18 0.00 2.71 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 78 F 8.15 4.30 0.00 3.22 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 79 A 8.32 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.04 4.31 0.00 4.15 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 81 A 7.95 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.35 4.08 0.00 1.88 1.65 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.55 0.00 2.38 2.20 0.00 3.73 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 2.22 1.95 0.00 84 E 8.83 3.95 0.00 1.95 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 2.31 2.34 0.00 85 D 8.01 4.73 0.00 2.82 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 86 G 8.16 4.02 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 0.00 0.00 0.00 87 K 9.32 5.22 0.00 1.77 2.03 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.52 7.81 88 I 8.78 4.99 1.84 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 1.01 1.32 0.84 0.00 0.00 89 L 8.51 4.73 0.00 0.27 0.76 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.09 5.17 0.00 3.12 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 91 C 9.26 5.36 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.58 5.05 0.00 2.77 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 93 V 8.68 3.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 94 S 8.39 4.62 0.00 4.00 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 95 E 8.79 3.90 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 96 E 7.86 3.68 0.00 1.69 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 1.47 1.94 0.00 97 W 7.90 4.43 0.00 3.49 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 98 T 7.89 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 99 N 8.16 4.18 0.00 2.96 2.83 0.00 0.00 6.46 7.07 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 0.00 100 V 7.31 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 101 A 7.52 4.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.40 3.34 0.00 1.57 1.74 0.00 3.13 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 103 K 7.64 3.68 0.00 1.75 1.87 0.00 1.53 0.00 0.00 1.35 0.00 0.00 2.37 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.86 1.25 7.81 104 Y 7.65 4.04 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 0.00 105 W 8.30 4.54 0.00 3.51 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 0.00 106 K 8.61 4.12 0.00 1.92 1.98 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 107 E 7.97 3.96 0.00 2.06 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 2.36 2.33 0.00 108 N 8.03 4.88 0.00 2.97 2.96 0.00 0.00 7.01 7.24 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 0.00 109 G 8.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.25 4.58 0.00 1.78 1.63 1.00 0.85 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 0.00 111 E 8.27 3.90 0.00 2.03 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 2.62 2.55 0.00 112 N 8.11 4.25 0.00 2.84 2.93 0.00 0.00 6.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.26 4.30 0.00 1.91 1.89 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 114 I 6.91 4.86 1.21 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.36 -0.54 0.00 0.00 115 F 9.26 4.85 0.00 2.54 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.48 5.26 0.00 1.78 1.61 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.90 4.28 0.00 1.14 1.11 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.80 7.81 118 L 8.69 4.50 0.00 1.52 1.55 0.91 1.06 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 0.00 119 G 8.28 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.66 4.11 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.82 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.25 3.99 0.00 1.69 1.71 0.73 0.37 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 0.00 123 E 7.84 4.02 0.00 2.12 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 2.38 0.00 124 T 7.97 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 125 L 8.39 4.20 0.00 1.82 1.87 1.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.07 4.01 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 127 V 8.12 3.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.13 0.00 0.00 128 L 8.32 4.09 0.00 2.34 2.03 1.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.06 3.77 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.94 0.00 0.00 130 D 8.09 4.66 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.45 4.20 0.00 4.16 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 0.00 132 K 8.77 4.28 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 133 S 7.32 4.09 0.00 3.64 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 0.00 134 A 7.13 3.29 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 0.00 135 P 0.00 4.14 0.00 0.77 1.72 0.00 3.24 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.04 0.00 136 S 8.69 4.02 0.00 4.06 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 0.00 137 W 7.67 4.53 0.00 3.63 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.90 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.73 4.30 0.00 3.76 3.85 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 0.00 140 D 8.96 4.57 0.00 3.05 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 0.00 141 F 7.19 4.14 0.00 1.51 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 0.00 142 A 7.70 4.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.33 4.70 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 9.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.37 0.00 2.01 1.97 0.00 3.77 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 2.00 2.07 0.00 146 S 9.19 4.06 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.29 4.59 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.39 4.36 2.04 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 0.52 0.00 0.00 149 D 8.57 4.45 0.00 2.68 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 0.00 150 L 7.55 5.22 0.00 1.63 1.32 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 151 F 9.58 5.16 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 9.06 5.50 0.00 2.96 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 0.00 153 L 8.67 4.50 0.00 1.45 1.10 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.98 4.75 0.00 1.78 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.82 5.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.72 4.46 0.00 2.87 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 0.00 157 K 8.43 2.83 0.00 1.01 0.74 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.87 0.21 7.81 158 E 7.93 4.09 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 159 N 8.01 4.66 0.00 3.06 2.36 0.00 0.00 6.82 7.49 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 0.00 160 Y 7.93 4.38 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.61 0.00 2.07 2.19 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.44 0.00 162 N 8.29 4.53 0.00 2.60 2.66 0.00 0.00 6.89 6.99 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 0.00 163 Y 7.65 4.17 0.00 3.09 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 0.00 164 Y 8.15 4.33 0.00 3.44 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 0.00 165 P 0.00 4.01 0.00 2.25 2.25 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 166 L 7.32 3.93 0.00 1.96 1.78 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 167 I 7.72 2.68 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.17 0.35 0.00 0.00 168 L 7.22 3.83 0.00 1.34 1.49 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.84 4.04 0.00 1.84 1.93 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 170 L 7.99 4.17 0.00 2.12 2.03 1.25 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.03 4.75 0.00 1.61 1.62 0.96 0.91 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 0.00 172 K 8.93 4.58 0.00 1.67 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.33 7.81 173 P 0.00 4.46 0.00 1.89 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 174 G 9.54 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 0.00 175 G 7.97 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 0.00 176 L 8.95 5.28 0.00 1.77 1.53 1.03 0.64 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 0.00 177 L 9.51 5.19 0.00 1.83 1.79 0.97 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 178 I 9.38 5.11 2.31 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 1.29 0.67 1.26 0.00 0.00 179 A 9.24 4.94 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 0.00 180 D 8.69 4.85 0.00 2.42 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 0.00 181 N 8.75 4.80 0.00 2.97 3.13 0.00 0.00 7.25 8.77 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 0.00 182 V 8.13 3.88 2.39 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 0.97 0.00 0.00 1.09 0.00 0.00 183 L 8.30 4.38 0.00 1.96 1.75 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 184 W 8.75 4.12 0.00 3.36 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 0.00 185 D 10.24 4.02 0.00 2.44 2.38 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 0.00 186 G 8.37 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 0.00 187 S 7.94 4.08 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 8.00 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 189 A 7.82 4.14 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 0.00 190 D 7.98 4.81 0.00 2.69 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 0.00 191 L 8.42 4.22 0.00 1.68 1.72 0.92 0.97 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 0.00 192 S 8.13 4.11 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 H 8.22 4.57 0.00 3.49 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Q 8.32 4.71 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 195 E 8.33 4.15 0.00 2.18 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 2.48 2.53 0.00 196 P 0.00 4.24 0.00 2.15 2.12 0.00 3.64 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 2.13 2.17 0.00 197 S 8.02 3.93 0.00 3.68 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 0.00 198 T 8.03 3.86 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 1.39 0.00 0.00 199 V 8.19 3.68 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 1.01 0.00 0.00 1.00 0.00 0.00 200 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 I 7.52 3.65 1.59 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.10 0.93 0.00 0.00 202 R 8.19 3.95 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 203 K 8.20 3.96 0.00 1.95 2.04 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 204 F 8.59 3.99 0.00 3.33 3.36 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 0.00 205 N 8.64 4.22 0.00 2.96 2.88 0.00 0.00 6.74 7.97 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 0.00 206 E 8.25 3.94 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 207 L 7.67 3.86 0.00 1.34 1.35 0.93 1.23 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 0.00 208 V 7.07 3.33 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 0.89 0.00 0.00 -0.36 0.00 0.00 209 Y 7.76 4.10 0.00 2.99 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 0.00 210 N 8.00 4.71 0.00 2.81 2.80 0.00 0.00 6.95 7.39 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 0.00 211 D 7.57 4.62 0.00 2.92 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 0.00 212 S 8.48 4.34 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 8.42 4.33 0.00 1.81 1.71 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 214 V 7.55 5.08 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 0.76 0.00 0.00 1.05 0.00 0.00 215 D 8.79 5.25 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 0.00 216 V 8.29 5.03 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 0.80 0.00 0.00 1.01 0.00 0.00 217 S 9.27 4.62 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 L 8.78 5.02 0.00 1.76 1.64 0.98 1.05 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 0.00 219 V 9.05 4.29 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 0.87 0.00 0.00 1.10 0.00 0.00 220 P 0.00 4.69 0.00 2.22 2.12 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 221 I 7.48 4.27 1.62 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.71 0.00 0.00 222 A 8.01 3.55 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 9.01 4.80 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 G 8.86 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 V 8.84 4.98 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 1.33 0.00 0.00 1.20 0.00 0.00 226 S 9.29 5.25 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 L 9.32 5.02 0.00 1.66 1.70 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 228 V 9.32 4.78 2.24 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 1.07 0.00 0.00 1.05 0.00 0.00 229 R 8.86 5.03 0.00 1.95 1.79 0.00 3.17 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 230 K 9.01 4.40 0.00 1.86 1.68 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.38 7.81 231 R 8.73 4.40 0.00 1.82 1.83 0.00 3.32 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 232 L 8.39 4.00 0.00 1.32 1.45 0.93 0.86 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 0.00 233 E 8.39 4.35 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 234 H 7.65 4.53 0.00 3.18 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.