NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2442 7.8827 121.4439 61.1969 38.7513 173.7612 17 V 4.3121 8.6061 125.9260 61.9326 32.6604 174.5930 18 G 3.8782 8.5905 114.2931 46.8783 0.0000 173.1245 19 G 4.2072 7.6556 109.6242 44.0164 0.0000 172.4329 20 Y 4.9536 7.8993 116.8660 55.1432 41.5142 175.0647 21 T 4.4417 8.5334 116.4650 63.6096 68.7091 176.0011 22 C 4.1662 8.5223 126.0340 58.6180 35.4580 176.0156 23 G 3.9408 8.0063 102.1995 45.2356 0.0000 172.5621 24 A 4.0213 8.5342 124.8823 54.0230 18.5244 176.7956 25 N 4.2585 8.8912 119.0498 54.5522 36.3881 175.7130 26 T 4.1102 7.5951 115.2503 65.2445 69.4123 175.5355 27 V 4.0318 7.1045 121.1561 60.0038 31.2112 173.7902 28 P 4.5925 0.0000 0.0000 63.6500 32.0591 178.1347 29 Y 5.0440 6.8524 116.0432 56.7512 38.9234 174.7655 30 Q 4.5605 7.2771 123.1556 56.1580 29.7958 175.2600 31 V 4.7480 8.9046 126.2596 61.2293 34.9548 173.8329 32 S 5.0116 8.9422 121.7458 56.7164 64.3783 172.6303 33 L 4.6174 8.6899 128.0758 53.6490 42.9888 175.0882 34 N 6.0100 9.1250 123.1640 50.0802 41.8233 175.0722 *37 S 4.1967 8.4624 121.4405 58.3314 64.1754 174.5797 38 G 3.9597 9.9506 109.6034 46.4187 0.0000 172.9524 39 Y 4.6540 6.5545 115.5014 55.8592 40.3267 173.0640 40 H 4.6472 8.8154 121.5995 56.2581 30.3592 174.7500 41 F 5.0726 8.0841 120.2973 57.3616 40.1259 174.1411 42 C 4.8094 6.8406 114.5987 55.5801 45.0248 173.6270 43 G 4.3190 8.7600 109.3246 45.7601 0.0000 172.2914 44 G 4.4968 8.3146 105.3989 46.2709 0.0000 172.4527 45 S 5.4242 8.8321 115.3097 56.3827 66.6564 173.7465 46 L 4.7717 9.1145 127.9351 55.0562 42.1499 177.1356 47 I 4.3211 8.6401 120.5453 61.4538 38.9636 174.6754 48 N 4.6669 7.6779 117.1511 51.9024 39.5045 175.0728 49 S 4.2920 8.6295 112.4677 60.4705 63.0406 175.4934 50 Q 4.6635 8.1709 118.2156 55.1068 30.9610 174.6704 51 W 5.3813 8.0840 117.9480 54.6439 32.8807 174.5973 52 V 5.0530 9.1402 123.8459 61.0564 34.3291 174.3183 53 V 4.9327 8.9600 127.1935 60.5093 33.7587 174.8547 54 S 5.1752 8.7888 118.1527 57.4415 66.1618 171.9655 55 A 4.6792 8.5164 120.0822 50.8328 20.3207 178.6126 56 A 3.8476 8.2785 124.3717 55.1890 18.4919 179.2811 57 H 4.5520 8.3216 109.8921 57.6018 28.7219 175.3751 58 C 4.7041 7.7258 117.2600 57.1579 40.2666 173.1004 59 Y 4.2510 7.8252 122.5777 57.7567 38.6386 175.3074 60 K 4.0275 7.4420 124.6392 54.7841 36.4925 175.1844 61 S 4.3362 7.9500 114.4547 58.3493 63.4350 173.4987 62 G 3.7646 8.5672 111.7646 46.1034 0.0000 173.4724 63 I 4.0181 7.6593 120.2777 60.7689 38.6015 174.8076 64 Q 4.8549 8.9634 128.1465 54.1974 31.7555 174.1284 65 V 4.4323 8.7759 127.0944 61.8685 33.3403 174.5852 66 R 5.1358 9.0268 127.7945 54.7719 32.1552 175.1158 67 L 4.7555 9.0707 124.9292 52.5991 44.7466 177.6365 *69 G 4.0124 8.3553 108.6785 45.3979 0.0000 173.0331 70 E 4.4248 8.2399 118.2118 55.8056 30.4287 174.6718 71 D 4.7231 8.3121 117.7292 55.3286 43.4724 174.8447 72 N 5.1531 8.9188 124.0937 52.3310 38.4659 175.6234 73 I 4.0504 8.3914 119.2337 61.9307 37.6999 176.2760 74 N 4.8987 8.7237 118.1417 52.9989 39.6095 174.8367 75 V 4.3768 7.4836 117.7490 59.4886 34.2017 175.9900 76 V 4.0160 8.4054 122.6148 62.9033 30.3191 175.1182 77 E 4.4261 9.5617 126.3381 55.7882 29.8955 176.8644 78 G 4.3311 8.1085 113.7667 46.5667 0.0000 175.8731 79 N 4.6002 7.9190 114.5651 53.5450 38.6880 175.1335 80 E 4.6218 7.4495 118.5080 55.9201 30.8972 176.1827 81 Q 4.3802 8.9280 121.4702 54.2497 32.0609 174.5781 82 F 5.4591 8.7384 123.7639 56.1772 40.3167 175.3167 83 I 4.6417 8.7760 125.4435 59.2217 40.5280 175.9588 84 S 4.7460 8.6744 122.1981 58.2544 64.2682 173.2591 85 A 4.5654 8.4243 125.2855 52.1838 18.2656 177.7529 86 S 4.5795 9.0657 117.4264 59.8448 64.5982 174.6658 87 K 4.7230 7.5657 117.1964 55.3972 35.8316 174.8993 88 S 5.2237 8.7187 115.6300 56.7152 65.5725 173.2906 89 I 4.5996 9.0106 126.9688 59.5250 39.9263 174.7849 90 V 4.2299 8.4228 127.4251 62.0943 32.7258 175.1746 91 H 3.3957 8.6635 126.7207 56.1701 29.9078 174.0710 92 P 4.2328 0.0000 0.0000 65.3473 31.2810 177.0774 93 S 4.7278 7.6740 111.8013 57.9649 63.3694 173.2779 94 Y 4.2836 8.0815 122.8003 57.9768 38.8559 174.5888 95 N 4.6427 8.2770 126.0635 51.2067 39.5002 174.8604 96 S 3.7921 7.6493 120.5973 60.1966 63.3253 175.7491 97 N 4.3631 8.1610 118.6734 55.4168 38.3751 175.9577 98 T 4.0125 7.6819 105.3758 60.4989 70.0686 174.7870 99 L 3.7110 7.9335 120.7762 55.4028 40.0147 173.8733 100 N 4.4269 7.6873 117.7950 54.7130 39.5299 174.6431 101 N 4.8382 8.7294 120.8671 54.2720 35.8089 175.6238 102 D 4.7134 7.9125 117.5446 53.0002 39.5954 174.8810 103 I 4.8529 7.1074 120.7503 59.3686 42.4085 173.0253 104 M 5.4423 9.2175 127.1375 54.0492 36.2520 173.3621 105 L 5.4119 9.2306 124.5222 53.2007 44.8602 175.5520 106 I 4.9181 9.1114 123.7151 59.4849 40.5856 174.2903 107 K 3.8352 8.5424 129.6468 54.7106 32.8418 175.8921 108 L 4.4021 8.3725 128.0706 54.4339 42.2993 178.1470 109 K 4.0352 8.9461 123.1543 59.3198 32.5606 177.8466 110 S 4.5553 7.4741 110.0147 56.0651 66.9102 173.6331 111 A 4.3361 8.5561 125.3960 52.3565 18.5886 177.3328 112 A 4.3427 9.0255 124.2660 51.9568 19.6105 177.3098 113 S 4.5337 8.6824 117.1095 57.3591 63.7739 174.2852 114 L 4.5787 8.5310 126.0112 54.0729 42.7822 176.0708 115 N 4.8076 8.8546 121.6704 52.1503 39.2986 175.0849 116 S 4.0939 8.8212 110.7228 61.4904 63.3738 175.2548 117 R 4.1868 7.9130 118.5528 56.5208 30.7084 175.6165 118 V 4.5619 7.5715 116.5086 60.8920 33.0140 173.5916 119 A 5.2605 8.6473 128.6305 49.9695 22.7312 174.8967 120 S 5.1570 8.6655 113.6265 57.3953 65.2475 173.0943 121 I 4.3791 8.2510 121.4029 59.3255 39.1712 175.4697 122 S 4.4601 8.3547 124.1316 58.1602 64.1605 173.8294 123 L 4.2373 8.3652 123.2768 53.4351 42.3430 175.4189 124 P 4.4287 0.0000 0.0000 63.2089 31.5818 176.3182 125 T 4.1473 8.2747 109.3747 62.5254 69.9927 174.5754 *127 S 4.2608 7.5616 114.6648 57.9505 64.0540 173.8988 128 C 4.4010 8.3817 117.8899 56.5656 40.6928 173.6829 129 A 4.3360 8.0286 125.6031 51.6931 19.3997 177.6704 130 S 4.2632 8.1378 116.4558 57.6049 64.2704 173.4539 *132 A 4.2372 8.1837 124.1383 53.5520 19.1824 177.5121 133 G 3.9538 9.1086 110.4355 45.2285 0.0000 174.0924 134 T 4.0232 7.4567 117.4400 63.3559 69.5602 173.5796 135 Q 4.3769 8.6676 128.1851 56.1882 29.7240 175.5527 136 C 5.2937 9.1966 123.3192 55.0127 45.7947 172.4971 137 L 5.1153 8.9520 122.8493 53.6009 44.0261 174.9583 138 I 5.2041 9.0594 127.8605 58.7925 39.6351 175.0125 139 S 4.9419 8.6802 120.1398 56.3616 66.4835 173.1801 140 G 3.7176 7.8516 108.6087 46.3115 0.0000 173.0442 141 W 4.5635 8.7053 116.8740 56.2910 29.1058 177.0944 142 G 4.0132 8.2802 109.0843 44.2617 0.0000 173.5094 143 N 3.6539 8.2820 118.5825 54.1619 38.8860 174.5585 144 T 4.8920 8.2498 113.7124 60.5676 69.6162 174.3802 145 K 4.6409 7.8197 121.4810 54.8040 34.5184 176.3206 146 S 4.3258 8.5214 115.9905 59.7027 63.7221 174.2845 147 S 4.3356 7.9812 116.0192 59.2100 64.9201 173.6862 148 G 3.8681 9.0551 111.7742 44.6474 0.0000 171.0251 149 T 4.7274 7.9779 114.5135 61.7574 70.7762 174.8233 150 S 4.3784 9.6919 122.3901 57.9533 65.2786 172.3136 151 Y 4.8224 8.6820 126.2651 55.5620 38.7967 174.4544 152 P 4.5745 0.0000 0.0000 62.7514 32.5680 176.1169 153 D 4.6844 8.6995 118.7636 55.5302 41.5816 176.5506 154 V 5.5661 7.4001 110.7993 58.0452 34.9622 175.4218 155 L 3.1874 8.3846 125.1440 55.2683 42.8879 175.9401 156 K 4.8885 8.2571 125.4137 54.9374 34.7899 174.7216 157 C 5.2283 8.6788 120.2487 55.1519 43.1047 172.9763 158 L 4.8475 8.3534 122.3292 53.8980 45.5099 174.5683 159 K 5.0314 9.0352 126.0920 55.6544 33.1260 176.1497 160 A 4.7434 9.0535 127.0535 49.5175 22.9794 173.6591 161 P 4.8083 0.0000 0.0000 62.4592 33.4409 175.5682 162 I 4.4703 8.5152 123.2607 61.4676 37.8742 175.9205 163 L 4.7603 8.8169 128.0724 53.4758 43.1329 177.1664 164 S 4.2448 8.8314 115.2264 58.6650 63.7019 175.0094 165 D 4.2612 8.1163 120.5665 57.6570 41.7002 179.3859 166 S 4.1917 8.0546 115.4913 61.5781 62.9643 176.8812 167 S 4.1539 7.9871 116.8119 61.3691 62.3458 175.7831 168 C 4.2920 8.3583 122.0856 59.5922 41.7465 175.7249 169 K 3.9977 8.2371 119.9208 58.8760 31.4468 179.5444 170 S 4.2406 8.0707 114.1678 61.2195 63.0753 176.0846 171 A 3.9565 7.6569 123.4030 53.6964 19.6497 177.2776 172 Y 4.8896 7.3904 113.5499 55.2485 38.3107 172.8169 173 P 4.5661 0.0000 0.0000 63.5885 32.0365 177.9565 174 G 3.9975 9.0603 110.6586 45.7392 0.0000 173.4424 175 Q 4.4813 8.0313 117.2681 55.9002 30.2829 175.7675 176 I 4.3627 7.8449 119.1744 60.2675 38.5198 175.2909 177 T 4.6322 8.2009 115.0167 59.4222 71.1382 175.2750 178 S 4.2127 8.5768 115.2277 61.0504 63.0396 174.6796 179 N 4.8870 8.0934 117.9791 53.3220 38.4482 173.9038 180 M 5.5924 7.9169 117.3071 53.5814 35.8197 174.6692 181 F 5.1643 9.0193 115.3354 55.6743 42.2612 172.5711 182 C 5.8250 9.1962 115.7995 54.9068 41.1559 172.7912 183 A 5.0591 8.9981 122.1928 51.3033 22.5273 174.2509 184A G 3.9425 7.7289 103.9576 44.4017 0.0000 173.3371 184 Y 4.6088 8.6568 119.0861 55.9051 40.5311 176.3627 185 L 4.0205 8.7200 125.9230 57.5315 41.9078 178.5959 186 E 4.1289 8.3128 114.0854 56.0442 30.1198 177.7192 187 G 3.8056 8.3375 109.7923 45.0638 0.0000 172.4317 188A G 4.0681 9.4048 106.0513 44.6457 0.0000 173.4663 188 K 5.0234 7.2593 117.4441 54.9343 35.2305 175.2291 189 D 4.6488 8.8635 123.4146 53.9012 45.5353 174.4686 190 S 4.9970 8.7635 115.7964 57.6958 65.2593 173.8091 191 C 4.8243 9.3176 119.7885 55.1003 46.5539 172.4789 192 Q 4.3361 8.6761 118.6139 58.2403 28.3097 177.8491 193 G 4.2599 9.2976 111.4251 45.6639 0.0000 173.7782 194 D 4.6728 8.4572 118.8252 55.4027 41.6383 176.7222 195 S 4.4357 8.1028 115.4107 60.5151 63.2445 175.6431 196 G 4.0983 8.8989 112.5553 46.3750 0.0000 173.7076 197 G 4.2895 7.8307 107.6086 44.8567 0.0000 171.5062 198 P 4.8493 0.0000 0.0000 62.6045 33.2626 175.7458 199 V 4.6024 8.7016 121.7129 61.4211 34.1555 174.0866 200 V 4.8115 8.7256 129.2939 61.3466 33.5852 173.7235 201 C 5.1179 8.8245 125.3346 55.5943 43.6688 174.7569 202 S 3.4595 9.8257 120.4408 59.6740 60.0444 173.5037 203 G 3.9615 8.3992 106.3134 45.2904 0.0000 173.6380 204 K 4.7300 7.5642 118.1677 53.4213 34.9855 175.3409 *209 L 4.2828 8.1356 122.0978 55.4687 41.8410 175.8717 210 Q 4.3996 8.8229 125.4563 56.8384 30.5100 175.7150 211 G 5.3411 8.0495 104.5617 45.5786 0.0000 171.4292 212 I 5.2973 8.2119 119.5949 58.9074 41.3194 174.8640 213 V 3.5087 9.0563 127.3444 64.2171 31.7218 174.5234 214 S 4.9049 8.5680 122.2376 58.6159 63.7559 175.7818 215 W 5.0813 8.0682 115.8178 56.6343 31.8581 173.3727 216 G 4.0050 8.4788 108.0753 46.8608 0.0000 173.1613 217 S 4.6532 8.4813 115.9183 56.6775 61.7445 173.2886 *219 G 4.0861 7.8442 117.5565 45.2423 0.0000 170.5076 220 C 4.9591 8.2151 117.0749 56.5914 41.2840 173.6325 221A A 3.8324 9.0005 125.0610 53.0533 16.7103 176.7693 221 Q 4.5239 7.4186 115.4979 56.0829 29.7757 175.8550 222 K 4.1157 8.4803 122.1687 58.1101 32.5777 176.2595 223 N 4.2769 9.1077 121.7545 53.9506 36.8213 175.2005 224 K 4.3372 7.5109 118.1389 53.4605 32.2906 174.0351 225 P 4.5918 0.0000 0.0000 61.9199 33.0644 177.0286 226 G 3.5685 8.4104 107.3244 46.2904 0.0000 172.5904 227 V 4.3760 7.9424 122.0458 60.6297 33.9387 174.0462 228 Y 4.9936 8.1521 124.8561 55.9993 41.8213 175.0598 229 T 4.3898 8.7663 120.3714 63.6448 69.8922 174.4436 230 K 5.2044 9.3862 128.8994 54.9487 30.6804 176.8090 231 V 3.9833 8.7198 124.6729 65.9109 31.4137 174.7069 232 C 4.3700 8.2666 112.3341 58.0256 41.6314 174.8118 233 N 4.1721 8.0157 117.6453 54.6713 38.6011 175.5043 234 Y 4.8117 7.9465 117.1628 57.4188 39.0738 177.3626 235 V 3.6810 7.9203 120.3397 66.2288 31.5633 177.7957 236 S 4.1140 8.0885 114.1660 61.3381 62.7388 176.1951 237 W 4.2667 8.3325 130.4287 60.6524 30.3977 177.7636 238 I 3.0493 8.1738 119.8811 64.1594 36.6015 178.6472 239 K 3.7630 8.1370 119.4592 59.4599 31.6638 179.3213 240 Q 3.8864 7.7933 118.6379 59.2689 29.3416 178.0532 241 T 3.7694 7.6029 116.9293 66.6200 68.3429 176.9522 242 I 2.4193 7.2946 121.6170 63.5877 36.6825 178.1876 243 A 4.1500 7.5424 120.3727 53.8760 18.3523 178.6429 244 S 4.6463 7.4658 111.0804 58.3985 63.7600 173.9947 245 N 4.7208 7.7515 123.4127 53.4435 39.2095 174.0438 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 16 I 7.88 4.24 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.90 0.00 0.00 17 V 8.61 4.31 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 1.02 0.00 0.00 0.93 0.00 0.00 18 G 8.59 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.66 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.90 4.95 0.00 2.98 2.95 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 21 T 8.53 4.44 4.30 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 1.23 0.00 0.00 22 C 8.52 4.17 0.00 2.75 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.01 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 24 A 8.53 4.02 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 25 N 8.89 4.26 0.00 2.85 2.88 0.00 0.00 7.17 7.54 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 26 T 7.60 4.11 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 1.22 0.00 0.00 27 V 7.10 4.03 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.59 0.00 2.38 2.28 0.00 3.84 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 2.14 1.93 0.00 29 Y 6.85 5.04 0.00 3.23 3.37 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 30 Q 7.28 4.56 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.67 0.00 0.00 0.00 0.00 0.00 1.88 2.43 0.00 31 V 8.90 4.75 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.09 0.00 0.00 32 S 8.94 5.01 0.00 3.10 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.69 4.62 0.00 0.62 0.89 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.12 6.01 0.00 2.43 2.49 0.00 0.00 6.77 7.18 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 *37 S 8.46 4.20 0.00 3.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.95 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 39 Y 6.55 4.65 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.82 4.65 0.00 2.90 3.23 0.00 5.86 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 41 F 8.08 5.07 0.00 3.09 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 42 C 6.84 4.81 0.00 2.29 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 43 G 8.76 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.83 5.42 0.00 3.82 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 46 L 9.11 4.77 0.00 1.88 1.81 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.64 4.32 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 1.00 0.00 0.00 48 N 7.68 4.67 0.00 2.94 2.98 0.00 0.00 6.02 7.59 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 49 S 8.63 4.29 0.00 4.27 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 50 Q 8.17 4.66 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 51 W 8.08 5.38 0.00 3.14 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 52 V 9.14 5.05 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 1.17 0.00 0.00 0.98 0.00 0.00 53 V 8.96 4.93 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 54 S 8.79 5.18 0.00 3.90 3.76 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 55 A 8.52 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 3.85 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.32 4.55 0.00 3.40 3.61 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.73 4.70 0.00 3.26 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 59 Y 7.83 4.25 0.00 2.98 2.95 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 60 K 7.44 4.03 0.00 1.27 1.21 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.15 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.97 0.99 7.81 61 S 7.95 4.34 0.00 3.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.57 3.76 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 0.00 0.00 0.00 63 I 7.66 4.02 1.87 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 1.34 0.93 0.93 0.00 0.00 64 Q 8.96 4.85 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 65 V 8.78 4.43 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 0.98 0.00 0.00 0.90 0.00 0.00 66 R 9.03 5.14 0.00 1.69 1.80 0.00 2.71 0.00 0.00 2.64 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.26 0.00 67 L 9.07 4.76 0.00 1.76 1.62 0.96 0.70 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 *69 G 8.36 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 70 E 8.24 4.42 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 71 D 8.31 4.72 0.00 2.77 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 72 N 8.92 5.15 0.00 2.84 2.81 0.00 0.00 7.13 7.40 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 73 I 8.39 4.05 1.45 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 -0.29 0.00 0.00 74 N 8.72 4.90 0.00 2.83 2.87 0.00 0.00 6.68 7.26 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 75 V 7.48 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 76 V 8.41 4.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 77 E 9.56 4.43 0.00 1.95 1.96 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 2.29 2.50 0.00 78 G 8.11 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 0.00 0.00 0.00 0.00 79 N 7.92 4.60 0.00 2.73 2.87 0.00 0.00 6.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.45 4.62 0.00 1.44 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 Q 8.93 4.38 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 82 F 8.74 5.46 0.00 2.81 2.95 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 83 I 8.78 4.64 1.87 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 1.24 0.83 0.95 0.00 0.00 84 S 8.67 4.75 0.00 3.75 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 85 A 8.42 4.57 1.19 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 0.00 0.00 86 S 9.07 4.58 0.00 3.76 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 87 K 7.57 4.72 0.00 1.84 1.88 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.28 1.41 7.81 88 S 8.72 5.22 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.01 4.60 2.04 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 1.25 0.87 1.14 0.00 0.00 90 V 8.42 4.23 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 0.67 0.00 0.00 0.80 0.00 0.00 91 H 8.66 3.40 0.00 2.90 2.98 0.00 5.67 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 92 P 0.00 4.23 0.00 1.94 2.09 0.00 2.34 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.14 0.00 93 S 7.67 4.73 0.00 3.90 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 94 Y 8.08 4.28 0.00 2.95 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 95 N 8.28 4.64 0.00 2.58 2.46 0.00 0.00 6.56 7.01 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 96 S 7.65 3.79 0.00 3.96 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 97 N 8.16 4.36 0.00 2.78 2.79 0.00 0.00 6.89 7.14 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 98 T 7.68 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 L 7.93 3.71 0.00 1.35 1.81 0.60 1.12 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 0.00 100 N 7.69 4.43 0.00 2.73 2.65 0.00 0.00 7.25 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.73 4.84 0.00 2.95 2.64 0.00 0.00 7.24 8.06 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 0.00 102 D 7.91 4.71 0.00 3.10 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 0.00 103 I 7.11 4.85 1.54 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 1.41 1.33 0.12 0.00 0.00 104 M 9.22 5.44 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 105 L 9.23 5.41 0.00 1.66 1.92 0.97 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.11 4.92 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.89 0.00 0.00 107 K 8.54 3.84 0.00 0.79 1.09 0.00 1.27 0.00 0.00 1.33 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.72 0.21 7.81 108 L 8.37 4.40 0.00 1.52 1.58 0.92 0.63 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 0.00 109 K 8.95 4.04 0.00 1.72 1.85 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.39 7.81 110 S 7.47 4.56 0.00 3.80 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 0.00 111 A 8.56 4.34 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 0.00 112 A 9.03 4.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.68 4.53 0.00 3.78 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 0.00 114 L 8.53 4.58 0.00 1.65 1.63 0.95 1.10 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 0.00 115 N 8.85 4.81 0.00 2.80 2.89 0.00 0.00 6.35 8.40 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 0.00 116 S 8.82 4.09 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.91 4.19 0.00 1.94 2.01 0.00 3.12 0.00 0.00 3.26 7.37 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.26 0.00 4.00 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 0.00 128 C 8.38 4.40 0.00 2.93 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 0.00 129 A 8.03 4.34 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 0.00 130 S 8.14 4.26 0.00 3.84 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 *132 A 8.18 4.24 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 9.11 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 0.00 134 T 7.46 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 Q 8.67 4.38 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 136 C 9.20 5.29 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.95 5.12 0.00 1.75 1.57 0.99 1.10 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 0.00 138 I 9.06 5.20 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.66 0.95 0.00 0.00 139 S 8.68 4.94 0.00 3.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.71 4.56 0.00 3.20 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 0.00 142 G 8.28 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 0.00 143 N 8.28 3.65 0.00 1.76 2.51 0.00 0.00 7.11 8.20 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 0.00 144 T 8.25 4.89 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 1.22 0.00 0.00 145 K 7.82 4.64 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.31 7.81 146 S 8.52 4.33 0.00 4.13 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 0.00 147 S 7.98 4.34 0.00 3.82 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 0.00 148 G 9.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.98 4.73 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 1.51 0.00 0.00 150 S 9.69 4.38 0.00 3.81 3.66 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 0.00 151 Y 8.68 4.82 0.00 2.92 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 0.00 152 P 0.00 4.57 0.00 2.46 2.09 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 153 D 8.70 4.68 0.00 2.79 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.40 5.57 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 1.13 0.00 0.00 0.97 0.00 0.00 155 L 8.38 3.19 0.00 1.69 1.22 0.56 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.26 4.89 0.00 1.83 1.51 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.34 7.81 157 C 8.68 5.23 0.00 1.46 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 0.00 158 L 8.35 4.85 0.00 1.70 1.44 1.01 0.73 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 0.00 159 K 9.04 5.03 0.00 1.84 1.85 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.68 7.81 160 A 9.05 4.74 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 0.00 161 P 0.00 4.81 0.00 2.01 2.09 0.00 3.17 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 162 I 8.52 4.47 1.77 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 1.10 0.69 0.77 0.00 0.00 163 L 8.82 4.76 0.00 1.65 1.60 0.93 0.88 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 0.00 164 S 8.83 4.24 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.12 4.26 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.05 4.19 0.00 3.91 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 0.00 167 S 7.99 4.15 0.00 4.02 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 0.00 168 C 8.36 4.29 0.00 3.20 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.24 4.00 0.00 1.91 1.90 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.61 7.81 170 S 8.07 4.24 0.00 4.02 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 0.00 171 A 7.66 3.96 0.96 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 0.00 172 Y 7.39 4.89 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.57 0.00 2.22 2.12 0.00 3.50 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 174 G 9.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.03 4.48 0.00 2.47 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 176 I 7.84 4.36 1.98 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 1.86 0.93 1.00 0.00 0.00 177 T 8.20 4.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 178 S 8.58 4.21 0.00 4.00 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 0.00 179 N 8.09 4.89 0.00 2.86 3.13 0.00 0.00 6.59 7.63 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 0.00 180 M 7.92 5.59 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 181 F 9.02 5.16 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.20 5.83 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.00 5.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 7.73 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 0.00 184 Y 8.66 4.61 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.72 4.02 0.00 1.73 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.31 4.13 0.00 2.10 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 2.31 0.00 187 G 8.34 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 0.00 0.00 0.00 188A G 9.40 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.26 5.02 0.00 1.62 1.69 0.00 1.52 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.92 1.26 7.81 189 D 8.86 4.65 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.76 5.00 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.32 4.82 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 8.68 4.34 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.34 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 193 G 9.30 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 0.00 0.00 0.00 0.00 194 D 8.46 4.67 0.00 2.98 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 0.00 195 S 8.10 4.44 0.00 3.99 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 0.00 196 G 8.90 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 0.00 0.00 0.00 197 G 7.83 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.85 0.00 2.36 2.35 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 199 V 8.70 4.60 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 0.85 0.00 0.00 0.65 0.00 0.00 200 V 8.73 4.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.61 0.00 0.00 201 C 8.82 5.12 0.00 2.79 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 0.00 202 S 9.83 3.46 0.00 3.93 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 0.00 203 G 8.40 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 0.00 204 K 7.56 4.73 0.00 1.81 1.66 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.29 7.81 *209 L 8.14 4.28 0.00 1.52 1.65 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.82 4.40 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 211 G 8.05 5.34 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 0.00 212 I 8.21 5.30 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.97 0.00 0.00 213 V 9.06 3.51 2.40 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 1.00 0.00 0.00 1.18 0.00 0.00 214 S 8.57 4.90 0.00 3.93 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 0.00 215 W 8.07 5.08 0.00 3.31 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 0.00 216 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.48 4.65 0.00 4.29 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 *219 G 7.84 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.22 4.96 0.00 2.94 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 221A A 9.00 3.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 7.42 4.52 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 222 K 8.48 4.12 0.00 1.72 1.73 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 223 N 9.11 4.28 0.00 2.86 2.83 0.00 0.00 6.81 8.47 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 0.00 224 K 7.51 4.34 0.00 1.68 1.78 0.00 1.68 0.00 0.00 1.31 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.48 7.81 225 P 0.00 4.59 0.00 2.12 2.10 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 226 G 8.41 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.94 4.38 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 0.30 0.00 0.00 -0.72 0.00 0.00 228 Y 8.15 4.99 0.00 1.43 2.30 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 0.00 229 T 8.77 4.39 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 230 K 9.39 5.20 0.00 2.15 1.91 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 231 V 8.72 3.98 2.43 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 1.24 0.00 0.00 1.11 0.00 0.00 232 C 8.27 4.37 0.00 3.16 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 0.00 233 N 8.02 4.17 0.00 2.28 2.38 0.00 0.00 6.81 7.50 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 0.00 234 Y 7.95 4.81 0.00 3.26 3.28 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 0.00 235 V 7.92 3.68 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 1.17 0.00 0.00 1.07 0.00 0.00 236 S 8.09 4.11 0.00 3.99 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 0.00 237 W 8.33 4.27 0.00 3.47 3.61 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 0.00 238 I 8.17 3.05 1.98 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 1.46 0.95 0.73 0.00 0.00 239 K 8.14 3.76 0.00 1.72 1.77 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.65 7.81 240 Q 7.79 3.89 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 241 T 7.60 3.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 242 I 7.29 2.42 1.39 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.45 0.00 0.00 243 A 7.54 4.15 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 0.00 244 S 7.47 4.65 0.00 3.83 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 0.00 245 N 7.75 4.72 0.00 3.08 3.00 0.00 0.00 6.77 7.44 0.00 0.00 0.00 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.