NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 D 4.5866 8.2076 120.1882 53.2710 41.3356 175.8679 -1 P 4.0862 0.0000 0.0000 64.4831 30.6018 176.6005 0 M 3.9806 8.6104 119.2649 58.8479 32.6905 179.2505 1 V 3.3565 7.9425 117.8931 66.0198 31.4703 177.6762 2 S 4.1895 8.3172 113.0782 61.3761 62.0507 176.0897 3 K 3.9762 7.6002 120.9035 59.3387 32.2049 178.7396 4 G 3.7897 7.7028 105.8127 47.7606 0.0000 175.4849 5 E 4.0600 8.2991 121.3412 59.3971 29.3276 179.3280 6 E 4.1643 8.3743 116.9276 58.4518 29.5742 178.5499 7 L 3.9785 7.4891 117.8407 55.5926 41.9839 177.3775 8 F 4.8373 7.3583 113.6404 57.2256 39.5636 176.5474 9 T 4.1528 8.1901 113.2553 63.6608 69.5982 174.9546 10 G 4.2685 7.7735 112.0640 44.9716 0.0000 172.3216 11 V 4.3224 8.4260 123.4205 62.0343 32.7645 176.3316 12 V 4.5902 8.8784 128.9204 60.2112 33.5537 173.2223 13 P 4.8272 0.0000 0.0000 63.2539 32.7844 175.2102 14 I 5.1215 8.9135 121.9415 59.5229 41.5150 174.0755 15 L 5.1538 8.7006 126.6099 53.2735 45.4967 175.2581 16 V 5.0166 8.9245 125.2390 61.2374 35.1567 173.9564 17 E 5.2328 9.2759 125.8852 54.6025 33.6441 174.1920 18 L 5.2605 9.5827 126.2361 53.3862 45.6053 174.4943 19 D 4.9694 9.0494 126.3462 52.5116 43.1117 175.5857 20 G 3.2146 8.7207 111.0234 43.9720 0.0000 171.7029 21 D 4.9425 8.5300 122.7039 52.9234 44.4487 174.1206 22 V 4.7597 8.9252 127.5737 61.2354 33.7358 175.3248 23 N 4.3524 10.0177 127.5423 54.4473 36.6677 175.4856 24 G 3.7796 8.3638 102.8769 46.3251 0.0000 174.3676 25 H 4.5238 8.0641 118.1882 54.7159 28.1202 174.7315 26 K 4.9373 8.4177 124.5257 56.2101 33.1031 176.4540 27 F 4.8808 8.2376 116.4043 56.4547 41.8354 172.8807 28 S 5.2070 8.8868 115.2290 56.8914 67.1951 173.3983 29 V 5.1027 9.0712 122.8448 61.4256 35.0178 174.1161 30 S 5.3498 9.0774 123.4590 56.8655 65.5321 173.4292 31 G 4.2157 9.1920 110.5166 44.4846 0.0000 171.3072 32 E 5.0194 8.8390 120.1742 54.0351 34.3133 176.1471 33 G 3.7813 7.6261 107.9573 46.3592 0.0000 171.2258 34 E 4.9095 8.1333 118.1869 55.1138 33.3802 174.9006 35 G 3.5836 8.7183 108.1570 44.4713 0.0000 171.5549 36 D 5.2463 9.1427 120.5677 52.1249 42.1213 175.6765 37 A 4.4552 9.0242 127.6124 54.5805 19.1665 179.9686 38 T 3.6506 8.1607 112.1561 66.6887 68.3834 174.4774 39 Y 4.4716 7.7690 115.0503 56.9850 38.4219 175.5982 40 G 4.2774 8.0703 108.3100 46.2005 0.0000 172.5715 41 K 4.5909 8.2645 121.1164 54.2648 34.1851 175.0333 42 L 4.9825 8.6878 126.9715 53.1114 45.7431 175.6150 43 T 4.8290 8.5732 118.9112 61.7996 71.8560 173.0526 44 L 4.9219 8.8231 125.6839 52.6246 46.7196 175.3740 45 K 4.6906 8.6736 122.9849 54.5473 35.2508 174.7254 46 F 5.3261 9.2266 125.8802 55.7255 42.2625 174.5352 47 I 5.0424 8.9138 122.9831 59.5598 40.7546 174.2516 48 C 4.8509 9.8252 128.9498 59.7117 31.2724 173.2327 49 T 4.4854 8.7398 116.8334 62.3759 69.0852 175.5578 50 T 4.4925 7.8327 111.4843 61.3441 70.4699 173.9986 51 G 4.1554 7.7669 107.9234 44.5919 0.0000 176.7654 52 K 4.2550 8.6402 125.7629 55.2930 32.5576 175.5753 53 L 3.8199 9.3174 128.9962 54.0093 42.2667 175.3103 54 P 4.3306 0.0000 0.0000 63.2346 31.7375 175.7129 55 V 4.0938 6.1209 111.5264 58.4522 35.3776 173.4456 56 P 4.4126 0.0000 0.0000 62.0611 32.0948 177.6129 57 W 4.4960 9.2173 123.0593 60.0348 28.8638 176.9843 58 P 4.5962 0.0000 0.0000 65.6890 30.5775 178.5025 59 T 4.2031 8.0634 107.7320 63.8350 68.9693 175.6411 60 L 4.1851 8.0312 120.8947 54.9781 41.8305 178.5555 61 V 3.6392 7.5237 119.0403 66.2800 31.5588 177.5207 62 T 4.0346 7.9900 107.5325 65.2028 68.5997 176.0386 63 T 4.0617 7.6931 117.0891 65.9475 69.8954 176.4401 64 F 4.8460 7.6719 119.2071 57.0073 36.4225 176.4047 *68 L 4.3899 7.3894 119.7011 55.2689 43.4129 178.8837 69 M 4.1166 7.7907 118.5133 57.1053 32.6343 178.9373 70 C 3.9875 7.7101 113.6571 60.5960 29.9098 174.5638 71 F 4.4111 8.1943 117.7956 57.1598 38.9160 175.1239 72 A 4.2605 7.4060 123.2858 52.5576 18.9539 177.7260 73 R 4.3033 9.1953 123.1394 55.9839 31.0170 174.8862 74 Y 4.4514 8.5932 125.2884 56.0954 38.8079 174.3872 75 P 4.3612 0.0000 0.0000 62.3726 32.4690 176.6249 76 D 4.3786 8.9924 119.9006 58.1236 40.7715 178.5993 77 H 4.4180 8.3218 112.6589 57.7308 28.6928 175.9774 78 M 4.6377 7.7996 120.4403 54.8918 32.2386 177.2179 79 K 3.7728 7.8976 120.8092 59.6376 32.0120 178.4351 80 Q 4.0554 7.9528 115.4827 57.7861 28.7875 176.1897 81 H 4.7397 7.9913 114.4695 55.4715 29.0807 174.7445 82 D 3.7257 7.1121 121.9879 52.2655 39.6913 176.4560 83 F 4.1467 8.0281 128.2967 60.0820 39.3634 176.3183 84 F 4.0191 7.6872 115.9904 60.5813 39.1421 177.4279 85 K 4.1323 8.4531 118.3777 59.2391 31.5408 179.6407 86 S 4.0753 7.3019 113.6403 61.1597 63.1157 176.0875 87 A 4.0240 7.6196 123.6196 53.3780 17.9976 177.3911 88 M 4.7569 7.1769 117.0609 54.0817 32.9839 174.8737 89 P 4.8058 0.0000 0.0000 64.3233 32.1174 178.2475 90 E 3.8173 8.1345 118.8393 57.9843 29.7513 176.6893 91 G 3.8036 9.3589 104.7458 44.2915 0.0000 171.0728 92 Y 5.4915 7.9009 115.2174 55.3786 42.2128 174.2956 93 V 4.7250 9.2153 120.8207 62.0013 33.4893 174.3707 94 Q 5.1502 9.6195 129.5461 54.7237 31.2837 173.6385 95 E 5.3275 9.3119 126.8553 54.7592 32.5611 175.6670 96 R 5.2619 9.0051 121.2868 54.8303 35.2749 174.1373 97 T 4.8102 8.7952 117.8935 61.7857 71.7641 173.0181 98 I 4.6156 8.4752 127.3682 59.4077 40.1329 174.5315 99 F 4.8469 9.2019 127.0253 55.8644 40.8201 175.2496 100 F 4.6449 9.0124 124.5114 55.9944 39.8580 175.6546 101 K 3.8930 8.5863 125.5582 58.3798 32.2458 175.8153 102 D 4.5341 9.1174 123.6531 54.9958 38.6395 172.9055 103 D 4.3994 7.9407 118.5766 53.8784 44.3709 173.9566 104 G 2.5714 7.8538 104.7248 45.3609 0.0000 172.0737 105 N 5.6216 8.0523 115.5910 51.3219 41.0907 173.0031 106 Y 5.6018 8.8902 118.1998 56.6572 40.7198 174.7614 107 K 5.0982 9.5758 123.2028 54.7483 35.3805 175.2051 108 T 5.1608 8.9888 115.2885 59.8011 72.1785 172.9698 109 R 5.1211 8.8528 123.5660 54.6765 33.2997 173.8032 110 A 5.4050 9.3729 127.3229 50.2313 23.4200 174.1974 111 E 5.0946 9.1454 119.2135 54.4882 32.8727 175.2615 112 V 4.8553 8.3647 125.2064 61.1131 34.0420 174.3885 113 K 4.5987 8.3062 125.2996 55.9560 36.2489 174.4488 114 F 4.4405 8.5117 120.6504 57.3864 39.9199 175.8097 115 E 4.5206 9.4532 123.5657 55.0873 30.8507 176.7763 116 G 3.9608 8.2683 116.7392 47.0215 0.0000 173.1104 117 D 4.6582 8.8581 124.0891 54.8530 41.4002 175.6387 118 T 4.7631 7.9101 117.8269 61.7394 70.9709 173.3650 119 L 4.1633 8.7270 129.0892 53.9995 43.5549 175.2409 120 V 4.8394 8.8516 126.7999 61.1203 34.5774 173.8612 121 N 5.1698 9.1679 126.0530 51.9834 41.0853 172.3831 122 R 5.0600 8.8155 125.7971 54.9439 31.9716 175.8051 123 I 5.1187 9.0237 124.7150 59.4886 41.6017 174.1919 124 E 5.0630 9.0096 124.8420 54.4221 32.7125 174.7341 125 L 5.1208 8.8331 125.7566 53.1086 45.5258 175.0450 126 K 5.0151 9.3694 125.6810 54.5254 35.4815 175.2178 127 G 5.5019 9.3661 112.8310 45.4850 0.0000 172.1747 128 I 5.1458 8.0514 115.7183 59.5057 41.7372 174.6484 129 D 4.5789 8.8066 119.9547 55.3544 38.2001 174.3337 130 F 4.5327 8.0468 116.6580 57.0833 39.7105 175.3985 131 K 4.3863 9.2214 123.8940 55.3817 32.5031 178.0984 132 E 3.9317 9.0536 124.4785 58.8407 29.5220 177.5997 133 D 4.8242 8.0417 115.3226 52.8289 40.1216 176.7955 134 G 4.0072 7.9412 110.7376 45.0680 0.0000 174.1838 135 N 4.2808 8.7398 115.1193 56.1882 38.6249 176.8758 136 I 3.7462 7.2106 118.8447 63.5205 37.8424 177.9196 137 L 3.7898 7.5810 121.2218 57.0133 41.7992 178.3216 138 G 3.7706 8.0569 105.8132 44.8683 0.0000 173.1945 139 H 3.9132 7.4895 116.1914 57.2723 26.5958 174.8093 140 K 4.7573 8.5100 114.7745 56.1846 34.0640 177.2737 141 L 4.9422 7.7467 120.5100 53.2668 42.7704 176.6149 142 E 4.1014 9.2664 123.6586 56.7505 31.0713 176.2950 143 Y 4.7589 8.4702 124.6186 55.2652 37.3101 173.4353 144 N 5.0768 7.5298 119.2429 52.6614 40.3011 173.7946 145 Y 4.3042 8.0659 116.2188 56.9223 41.5599 173.4842 146 N 4.8072 8.1406 124.2443 52.3022 40.0833 175.0872 147 S 4.7476 8.2734 116.4203 59.4545 64.1716 173.6919 148 H 4.8193 8.7680 118.2714 54.9582 33.5033 172.9511 149 N 4.9815 8.8339 121.1647 52.9475 39.6917 174.6012 150 V 4.0637 8.3078 122.3790 61.2005 34.2673 173.6250 151 Y 4.9763 8.3454 125.7224 56.7359 39.6969 174.5594 152 I 4.8542 8.8838 126.4187 59.8338 39.4804 174.8372 153 M 5.0723 9.0562 123.5246 52.9192 34.8129 174.9123 154 A 4.2047 8.6062 121.4014 52.1160 19.6372 177.1078 155 D 4.7002 8.5080 118.4244 52.2437 40.5117 176.2820 156 K 3.9775 8.2032 122.4846 59.2849 32.8697 179.5960 157 Q 4.0311 8.1811 116.2069 58.3329 28.6577 177.6090 158 K 4.4103 7.8441 114.4633 55.2623 32.4110 175.3459 159 N 4.3047 8.1176 116.0202 54.1417 38.4850 173.9956 160 G 3.8555 7.5169 104.4184 44.8168 0.0000 172.1047 161 I 5.0079 7.6690 113.9258 58.9183 41.5126 174.9279 162 K 5.1191 8.8760 122.2221 54.6934 35.7434 175.4174 163 V 5.0580 8.9007 122.9751 60.0384 34.6308 173.6601 164 N 5.4584 8.5675 125.2657 51.8520 42.4575 172.6557 165 F 5.0072 7.9706 118.2585 56.4580 41.7534 172.4618 166 K 4.8983 8.9524 118.9133 54.6947 34.6347 175.5718 167 I 4.1308 8.6001 125.5366 59.4516 39.8001 174.7091 168 R 4.8898 8.4985 125.5667 54.8711 31.8921 175.1375 169 H 4.6642 8.9370 122.6593 54.2637 30.6635 174.8304 170 N 4.8482 8.7935 121.1301 53.8097 39.5752 174.4433 171 I 4.8040 8.6748 124.8661 59.8560 38.9208 177.0771 172 E 4.2963 9.2499 122.6332 58.6223 29.5747 177.6069 173 D 4.5754 8.0686 117.2360 53.3757 39.5959 177.0623 174 G 3.9597 8.2641 109.5953 45.6169 0.0000 174.1579 175 S 4.6006 8.3305 114.8618 57.5445 64.4858 172.4379 176 V 4.8715 8.0127 110.6824 59.9487 35.6364 175.0527 177 Q 4.5504 9.1320 126.0411 54.3958 30.6053 174.6603 178 L 4.5998 8.5254 127.1307 54.6859 43.4465 176.3159 179 A 4.6044 9.1031 124.5763 50.1127 21.6963 174.4666 180 D 4.7070 8.8876 122.4642 54.8467 42.3456 175.5586 181 H 4.9552 8.7752 122.0020 54.2105 30.9768 173.6975 182 Y 4.8523 9.0498 120.9702 56.1704 40.8298 174.6279 183 Q 5.1951 9.1963 124.1923 54.5684 33.3715 173.3331 184 Q 5.0154 9.2660 125.2700 54.5364 32.9687 173.2596 185 N 6.3000 9.2814 122.8757 50.8783 42.4408 173.5724 186 T 5.1708 8.4566 111.6273 59.1103 72.3927 171.4600 187 P 4.9115 0.0000 0.0000 63.3083 31.6293 176.4667 188 I 3.9792 8.8116 123.7486 64.2697 37.6740 177.1465 189 G 3.8811 8.0612 109.5048 45.1064 0.0000 172.5598 190 D 4.5683 8.4298 117.3001 54.2924 41.6831 176.4677 191 G 3.8945 7.7429 107.3148 44.5211 0.0000 171.4243 192 P 4.4532 0.0000 0.0000 62.8582 31.7636 176.1906 193 V 4.4220 7.7920 111.7883 59.3616 35.5999 175.2991 194 L 4.1505 8.8518 123.4039 54.4822 41.7680 176.2280 195 L 4.7134 8.4147 124.4138 52.2947 43.1676 174.5964 196 P 4.7959 0.0000 0.0000 61.6296 32.6405 175.7419 197 D 4.5284 8.5731 119.6630 54.2870 41.3539 176.1376 198 N 4.8226 8.8543 118.5524 54.0777 39.1543 174.0627 199 H 5.0653 8.5007 118.0350 55.1532 32.0941 171.2581 200 Y 5.1439 8.4226 114.8636 55.9568 42.0253 173.7767 201 L 4.9246 8.9005 120.2704 53.1504 44.6918 175.8058 202 S 4.9673 8.9642 120.6008 57.7587 64.6355 172.7000 203 Y 5.0357 9.2332 123.1434 56.2843 40.7262 174.8631 204 Q 5.1047 9.1135 121.7448 54.3489 32.7433 174.7250 205 S 5.2835 8.8609 117.6431 56.8646 67.0441 173.1975 206 A 4.8099 9.3181 125.7407 50.0911 22.0189 174.6337 207 L 5.1254 8.5711 121.9641 53.1023 44.5270 175.8770 208 S 4.9119 9.1990 116.7191 57.4202 67.0617 172.4249 209 K 4.8809 8.5402 117.6019 54.6810 35.7263 175.9474 210 D 4.6537 8.9503 123.1603 52.1547 41.4511 175.4675 211 P 4.2782 0.0000 0.0000 65.2472 31.3639 176.6828 212 N 4.6642 8.1786 114.8664 52.7732 38.7100 173.8593 213 E 4.4361 7.9055 120.6366 54.5374 30.4653 175.8905 214 K 4.2160 8.5040 125.5517 58.0638 32.8908 177.4772 215 R 4.2472 7.9812 117.4101 55.4069 30.9271 175.2506 216 D 4.8875 8.6250 119.6150 54.6025 42.2488 174.7440 217 H 4.8232 8.5080 120.0067 55.1515 31.9712 172.2417 218 M 4.6762 8.1422 117.3945 53.5732 35.8598 173.3019 219 V 4.6179 8.5853 126.0991 61.1238 33.9722 173.9536 220 L 5.1749 9.0626 130.0480 53.1140 45.1769 174.4803 221 L 5.0181 8.8810 128.2621 53.2930 44.7571 174.7859 222 E 5.2483 8.8773 125.2376 54.5196 33.7440 174.7739 223 F 5.2750 8.9856 121.3229 55.7051 42.9089 174.4686 224 V 4.8998 8.7430 122.4149 60.6803 34.9029 173.8974 225 T 4.9433 8.1489 123.2764 61.4821 72.0019 173.4643 226 A 4.2287 8.3859 128.5305 52.1656 19.4367 175.9244 227 A 3.9759 8.2795 120.4808 51.4020 23.1204 177.3638 228 G 3.9107 9.0559 106.1776 45.3368 0.0000 173.9935 229 I 4.3209 7.0686 120.1764 59.1731 37.7069 175.5761 230 T 4.0252 8.3556 114.3868 61.7612 68.5847 174.6309 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 -2 D 8.21 4.59 0.00 2.67 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 -1 P 0.00 4.09 0.00 2.36 2.28 0.00 3.73 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 2.06 2.07 0.00 0 M 8.61 3.98 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 1 V 7.94 3.36 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 0.95 0.00 0.00 0.87 0.00 0.00 2 S 8.32 4.19 0.00 3.98 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 3 K 7.60 3.98 0.00 1.75 1.95 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.42 7.81 4 G 7.70 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 0.00 0.00 0.00 5 E 8.30 4.06 0.00 2.18 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 2.34 2.45 0.00 6 E 8.37 4.16 0.00 1.94 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 2.32 2.44 0.00 7 L 7.49 3.98 0.00 1.43 0.88 0.67 0.09 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 8 F 7.36 4.84 0.00 3.07 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 9 T 8.19 4.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 10 G 7.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.43 4.32 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 0.85 0.00 0.00 1.00 0.00 0.00 12 V 8.88 4.59 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 1.34 0.00 0.00 1.09 0.00 0.00 13 P 0.00 4.83 0.00 2.15 2.16 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 14 I 8.91 5.12 1.73 0.00 0.00 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 1.14 1.22 0.93 0.00 0.00 15 L 8.70 5.15 0.00 1.71 1.44 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.92 5.02 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 1.30 0.00 0.00 1.09 0.00 0.00 17 E 9.28 5.23 0.00 1.93 1.82 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 2.25 2.40 0.00 18 L 9.58 5.26 0.00 1.94 1.78 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.05 4.97 0.00 2.55 2.44 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 0.00 0.00 0.00 0.00 20 G 8.72 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.53 4.94 0.00 2.60 2.42 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 22 V 8.93 4.76 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 0.61 0.00 0.00 0.94 0.00 0.00 23 N 10.02 4.35 0.00 2.99 2.95 0.00 0.00 7.05 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.36 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 0.00 0.00 0.00 25 H 8.06 4.52 0.00 3.34 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.42 4.94 0.00 1.66 1.70 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 27 F 8.24 4.88 0.00 2.97 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 28 S 8.89 5.21 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 9.07 5.10 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.26 0.00 0.00 30 S 9.08 5.35 0.00 3.86 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 31 G 9.19 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 32 E 8.84 5.02 0.00 1.73 1.66 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 2.14 2.15 0.00 33 G 7.63 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 0.00 0.00 0.00 34 E 8.13 4.91 0.00 2.00 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 2.08 2.17 0.00 35 G 8.72 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.14 5.25 0.00 2.77 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 37 A 9.02 4.46 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.65 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 0.61 0.00 0.00 39 Y 7.77 4.47 0.00 3.13 3.15 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 40 G 8.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.26 4.59 0.00 2.03 1.75 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 0.86 7.81 42 L 8.69 4.98 0.00 1.44 1.33 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.57 4.83 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 44 L 8.82 4.92 0.00 1.19 0.50 1.05 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.67 4.69 0.00 1.55 1.39 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 1.26 7.81 46 F 9.23 5.33 0.00 2.65 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 47 I 8.91 5.04 1.95 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 1.12 0.71 1.00 0.00 0.00 48 C 9.83 4.85 0.00 3.14 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 49 T 8.74 4.49 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 1.33 0.00 0.00 50 T 7.83 4.49 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 1.28 0.00 0.00 51 G 7.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.64 4.26 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.38 7.81 53 L 9.32 3.82 0.00 1.16 1.03 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.33 0.00 1.94 1.98 0.00 2.57 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 1.33 1.89 0.00 55 V 6.12 4.09 1.75 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 0.30 0.00 0.00 0.36 0.00 0.00 56 P 0.00 4.41 0.00 2.17 2.00 0.00 3.36 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 1.97 1.96 0.00 57 W 9.22 4.50 0.00 3.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.60 0.00 2.26 2.33 0.00 3.71 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 59 T 8.06 4.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 60 L 8.03 4.19 0.00 1.74 0.53 0.64 0.16 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 61 V 7.52 3.64 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 0.40 0.00 0.00 1.02 0.00 0.00 62 T 7.99 4.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 63 T 7.69 4.06 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 1.07 0.00 0.00 64 F 7.67 4.85 0.00 2.94 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 *68 L 7.39 4.39 0.00 1.96 2.13 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 M 7.79 4.12 0.00 0.92 0.65 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 70 C 7.71 3.99 0.00 2.19 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 71 F 8.19 4.41 0.00 3.30 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 72 A 7.41 4.26 1.25 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 0.00 0.00 0.00 73 R 9.20 4.30 0.00 2.05 1.80 0.00 3.03 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 74 Y 8.59 4.45 0.00 2.81 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 75 P 0.00 4.36 0.00 1.99 1.97 0.00 3.46 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 1.99 1.99 0.00 76 D 8.99 4.38 0.00 2.79 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 77 H 8.32 4.42 0.00 3.36 3.41 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.80 4.64 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 79 K 7.90 3.77 0.00 1.69 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.64 7.81 80 Q 7.95 4.06 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 81 H 7.99 4.74 0.00 3.25 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.11 3.73 0.00 1.61 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 0.00 0.00 0.00 83 F 8.03 4.15 0.00 3.09 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 0.00 0.00 0.00 0.00 84 F 7.69 4.02 0.00 3.14 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 85 K 8.45 4.13 0.00 1.64 1.83 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.46 1.29 7.81 86 S 7.30 4.08 0.00 3.88 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 87 A 7.62 4.02 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 88 M 7.18 4.76 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.24 3.03 0.00 89 P 0.00 4.81 0.00 2.27 2.12 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 90 E 8.13 3.82 0.00 1.99 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 2.39 0.00 91 G 9.36 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 0.00 0.00 0.00 92 Y 7.90 5.49 0.00 3.32 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.22 4.72 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.03 0.00 0.00 94 Q 9.62 5.15 0.00 2.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 95 E 9.31 5.33 0.00 1.98 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 2.28 2.33 0.00 96 R 9.01 5.26 0.00 1.74 1.74 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 97 T 8.80 4.81 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 0.22 0.00 0.00 98 I 8.48 4.62 1.67 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 0.58 0.55 -0.05 0.00 0.00 99 F 9.20 4.85 0.00 2.80 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 0.00 100 F 9.01 4.64 0.00 3.21 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 0.00 101 K 8.59 3.89 0.00 1.70 1.78 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 102 D 9.12 4.53 0.00 2.89 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 0.00 103 D 7.94 4.40 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.85 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 0.00 0.00 0.00 105 N 8.05 5.62 0.00 2.57 2.73 0.00 0.00 7.33 7.12 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 0.00 106 Y 8.89 5.60 0.00 2.92 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 0.00 107 K 9.58 5.10 0.00 1.63 1.67 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.45 7.81 108 T 8.99 5.16 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 1.21 0.00 0.00 109 R 8.85 5.12 0.00 1.91 1.79 0.00 3.06 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 110 A 9.37 5.40 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 0.00 111 E 9.15 5.09 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 112 V 8.36 4.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 113 K 8.31 4.60 0.00 2.08 1.77 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.36 7.81 114 F 8.51 4.44 0.00 2.97 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 0.00 115 E 9.45 4.52 0.00 1.92 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 2.21 2.36 0.00 116 G 8.27 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 0.00 117 D 8.86 4.66 0.00 2.71 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 0.00 118 T 7.91 4.76 4.40 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 1.25 0.00 0.00 119 L 8.73 4.16 0.00 1.28 1.62 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.85 4.84 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 0.89 0.00 0.00 0.91 0.00 0.00 121 N 9.17 5.17 0.00 2.93 2.77 0.00 0.00 6.90 7.29 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 0.00 122 R 8.82 5.06 0.00 1.84 1.86 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 123 I 9.02 5.12 1.95 0.00 0.00 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 1.33 0.87 0.91 0.00 0.00 124 E 9.01 5.06 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 125 L 8.83 5.12 0.00 1.47 1.18 0.40 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.37 5.02 0.00 1.71 1.68 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.39 7.81 127 G 9.37 5.50 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 0.00 128 I 8.05 5.15 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 1.36 0.83 0.97 0.00 0.00 129 D 8.81 4.58 0.00 2.73 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 0.00 130 F 8.05 4.53 0.00 3.32 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 0.00 131 K 9.22 4.39 0.00 1.84 1.96 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.41 7.81 132 E 9.05 3.93 0.00 1.97 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 2.37 2.30 0.00 133 D 8.04 4.82 0.00 2.74 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 G 7.94 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 0.00 135 N 8.74 4.28 0.00 2.87 2.88 0.00 0.00 6.85 7.48 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 0.00 136 I 7.21 3.75 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.38 0.18 0.00 0.00 137 L 7.58 3.79 0.00 1.83 1.70 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.06 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 7.49 3.91 0.00 3.23 3.29 0.00 5.62 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 0.00 140 K 8.51 4.76 0.00 1.65 1.91 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.37 7.81 141 L 7.75 4.94 0.00 1.55 1.63 0.86 0.99 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 0.00 142 E 9.27 4.10 0.00 2.05 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 2.39 2.31 0.00 143 Y 8.47 4.76 0.00 3.04 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 0.00 144 N 7.53 5.08 0.00 2.85 2.82 0.00 0.00 6.10 7.55 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 0.00 145 Y 8.07 4.30 0.00 2.95 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 0.00 146 N 8.14 4.81 0.00 2.58 2.60 0.00 0.00 7.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.27 4.75 0.00 3.77 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 0.00 148 H 8.77 4.82 0.00 3.17 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.83 4.98 0.00 2.31 1.81 0.00 0.00 6.80 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 0.00 150 V 8.31 4.06 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 0.72 0.00 0.00 -0.11 0.00 0.00 151 Y 8.35 4.98 0.00 2.88 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 0.00 152 I 8.88 4.85 1.68 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.92 0.00 0.00 153 M 9.06 5.07 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 154 A 8.61 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.51 4.70 0.00 2.51 2.42 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 0.00 156 K 8.20 3.98 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.46 7.81 157 Q 8.18 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 158 K 7.84 4.41 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 159 N 8.12 4.30 0.00 2.86 2.90 0.00 0.00 6.79 8.08 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 0.00 160 G 7.52 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 0.00 0.00 0.00 161 I 7.67 5.01 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.51 0.12 0.00 0.00 162 K 8.88 5.12 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.33 7.81 163 V 8.90 5.06 2.42 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 1.42 0.00 0.00 1.07 0.00 0.00 164 N 8.57 5.46 0.00 2.75 2.63 0.00 0.00 6.81 7.71 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 0.00 165 F 7.97 5.01 0.00 3.03 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 0.00 166 K 8.95 4.90 0.00 1.63 1.69 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.39 7.81 167 I 8.60 4.13 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.95 0.50 0.00 0.00 168 R 8.50 4.89 0.00 1.66 1.84 0.00 3.21 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 169 H 8.94 4.66 0.00 3.11 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.79 4.85 0.00 2.81 2.86 0.00 0.00 7.10 7.37 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 0.00 171 I 8.67 4.80 2.00 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 1.32 0.77 1.08 0.00 0.00 172 E 9.25 4.30 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 2.44 2.23 0.00 173 D 8.07 4.58 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.26 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 0.00 175 S 8.33 4.60 0.00 3.86 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 0.00 176 V 8.01 4.87 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 0.78 0.00 0.00 0.93 0.00 0.00 177 Q 9.13 4.55 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 178 L 8.53 4.60 0.00 1.64 1.53 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 179 A 9.10 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.89 4.71 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.78 4.96 0.00 1.58 2.36 0.00 5.75 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 0.00 182 Y 9.05 4.85 0.00 3.05 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 0.00 183 Q 9.20 5.20 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 184 Q 9.27 5.02 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 185 N 9.28 6.30 0.00 2.41 2.67 0.00 0.00 6.37 6.62 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 0.00 186 T 8.46 5.17 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 1.24 0.00 0.00 187 P 0.00 4.91 0.00 2.16 2.14 0.00 3.92 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 188 I 8.81 3.98 2.17 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 1.22 0.64 0.98 0.00 0.00 189 G 8.06 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 0.00 190 D 8.43 4.57 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 7.74 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 0.00 192 P 0.00 4.45 0.00 2.18 2.07 0.00 3.71 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 1.97 1.98 0.00 193 V 7.79 4.42 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 0.66 0.00 0.00 1.06 0.00 0.00 194 L 8.85 4.15 0.00 1.69 1.69 0.80 0.60 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 0.00 195 L 8.41 4.71 0.00 1.64 1.60 0.94 1.15 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 0.00 196 P 0.00 4.80 0.00 2.38 2.43 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 197 D 8.57 4.53 0.00 2.44 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 0.00 198 N 8.85 4.82 0.00 2.65 2.88 0.00 0.00 7.06 8.16 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 0.00 199 H 8.50 5.07 0.00 3.31 3.35 0.00 5.41 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.42 5.14 0.00 2.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 8.90 4.92 0.00 1.64 1.50 nan 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.96 4.97 0.00 3.77 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 0.00 203 Y 9.23 5.04 0.00 3.05 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 0.00 204 Q 9.11 5.10 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 205 S 8.86 5.28 0.00 3.59 3.50 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 0.00 206 A 9.32 4.81 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 0.00 207 L 8.57 5.13 0.00 0.95 0.78 0.66 0.72 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 0.00 208 S 9.20 4.91 0.00 3.86 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 0.00 209 K 8.54 4.88 0.00 1.59 1.66 0.00 1.32 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.16 1.10 7.81 210 D 8.95 4.65 0.00 2.62 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 0.00 211 P 0.00 4.28 0.00 2.20 2.17 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 212 N 8.18 4.66 0.00 2.71 2.85 0.00 0.00 6.82 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 0.00 213 E 7.91 4.44 0.00 1.86 1.65 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 1.78 2.24 0.00 214 K 8.50 4.22 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 215 R 7.98 4.25 0.00 1.95 1.95 0.00 3.20 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 216 D 8.62 4.89 0.00 2.94 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 0.00 217 H 8.51 4.82 0.00 3.25 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 8.14 4.68 0.00 1.61 0.82 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 219 V 8.59 4.62 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 0.88 0.00 0.00 0.91 0.00 0.00 220 L 9.06 5.17 0.00 1.94 1.73 0.88 0.42 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 0.00 221 L 8.88 5.02 0.00 1.71 1.46 0.58 0.83 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 0.00 222 E 8.88 5.25 0.00 1.85 1.75 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 2.37 2.25 0.00 223 F 8.99 5.28 0.00 2.95 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 0.00 224 V 8.74 4.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.06 0.00 0.00 225 T 8.15 4.94 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 1.10 0.00 0.00 226 A 8.39 4.23 0.02 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 0.00 227 A 8.28 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.06 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 0.00 229 I 7.07 4.32 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.94 0.00 0.00 230 T 8.36 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.