NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0473 8.1227 122.4199 51.7415 21.1048 176.2287 2 V 4.2744 8.0514 115.3341 60.7044 32.2995 173.5900 3 S 4.8815 9.2997 122.0387 56.5122 67.1630 172.0290 4 L 5.1711 8.4185 122.0790 53.4670 43.9849 175.5209 5 D 4.9195 8.3448 123.0733 53.4887 39.9948 175.8392 6 R 4.5840 7.6761 114.1884 56.2204 31.7447 174.5600 7 T 4.5075 8.3057 107.4035 61.6331 69.7876 174.1843 8 R 4.8839 7.4889 116.6236 55.3471 32.2998 174.0012 9 A 4.8101 8.9537 121.9009 50.1588 22.5931 175.0542 10 V 4.8277 8.4912 120.9425 61.1582 33.7622 174.5414 11 F 4.4114 9.7294 132.2046 56.5990 40.8484 174.3061 12 D 4.6621 8.3803 127.4737 53.8370 41.3731 177.0069 13 G 3.9296 9.1166 117.1406 47.5238 0.0000 173.2872 14 S 4.4305 8.6428 113.9774 58.8576 63.6003 173.4861 15 E 4.7113 8.2754 122.7028 55.4164 32.3338 176.3083 16 K 4.6381 8.3349 119.6040 55.3825 33.0238 175.1456 17 S 5.5056 7.6116 109.3953 58.6240 65.8509 173.2205 18 M 4.8955 9.0878 117.8004 54.2994 34.8997 173.4781 19 T 5.0774 8.3072 108.5094 59.8237 72.1686 173.1057 20 L 4.7413 8.7219 122.7416 52.9470 45.0059 175.9086 21 D 5.0864 8.9504 123.5913 54.2961 42.4309 175.2353 22 I 4.9695 8.5754 114.4861 59.8284 41.9715 173.6524 23 S 4.8549 8.6357 114.6511 57.3044 66.3359 172.7691 24 N 5.0483 9.4391 125.8927 52.5099 39.3088 174.7692 25 D 4.6329 8.9363 126.7330 55.1538 41.9734 176.5093 26 N 4.4171 8.1304 119.4386 53.2528 39.6286 175.3005 27 K 4.3943 8.7800 124.8278 56.5617 32.6343 176.9559 28 Q 4.5724 8.7753 119.1005 56.2135 30.9065 175.9325 29 L 5.0830 7.9401 115.3386 51.9441 45.2608 175.0544 30 P 4.8449 0.0000 0.0000 63.1376 32.4380 175.0759 31 Y 4.6179 8.9067 118.7712 56.2875 42.2000 174.6129 32 L 5.1150 8.6978 121.7585 53.5841 44.5377 175.4088 33 A 5.1562 9.0811 123.6714 50.4544 21.6725 175.2948 34 Q 5.2608 9.4267 122.2469 54.9199 31.0545 174.9181 35 A 5.4037 9.4292 124.0453 48.9731 22.6188 175.1395 36 W 5.1294 7.8725 117.7943 55.5571 32.2348 173.3204 37 I 5.1207 8.6198 120.5058 59.8240 39.6764 174.6534 38 E 5.4063 9.3417 124.2412 54.6621 33.9817 175.7415 39 N 4.9273 9.0208 120.2459 51.4182 39.1618 175.7834 40 E 3.9872 8.3879 115.3344 59.1372 29.4210 177.3280 41 N 4.6778 8.8033 116.4376 52.6278 38.6381 175.1341 42 Q 3.6699 8.1879 116.3270 56.7219 27.2017 173.3332 43 E 4.4535 7.6600 116.7330 54.9484 30.6265 176.9178 44 K 4.7646 8.4938 122.7240 56.8177 32.8489 176.1471 45 I 4.7949 8.0640 112.6804 59.8437 40.5225 174.7724 46 I 4.5947 8.1902 118.3486 61.0234 40.2502 175.8089 47 T 4.2823 8.8764 108.0188 60.8927 69.5282 174.4031 48 G 4.2195 7.3628 111.4513 44.2849 0.0000 170.2815 49 P 4.6935 0.0000 0.0000 62.2008 32.6218 175.3978 50 V 4.6665 7.2584 120.4333 61.0100 34.0959 174.3911 51 I 4.8234 9.0696 120.0105 59.0057 41.2950 173.7520 52 A 5.5411 8.6916 124.7560 50.5456 21.3488 175.8704 53 T 4.8827 8.9985 111.8822 59.1902 72.5520 172.1564 54 P 4.7938 0.0000 0.0000 62.0397 32.3695 174.6686 55 P 4.7811 0.0000 0.0000 64.6172 32.5415 175.9124 56 V 5.1791 7.6569 119.0883 61.5563 34.7342 173.7657 57 Q 4.6935 9.0570 123.4658 55.0726 32.4702 172.9129 58 R 4.7679 8.5319 120.8036 55.1155 31.7633 175.1652 59 L 4.7793 8.8162 126.7031 52.7402 43.9987 176.2428 60 E 4.4584 8.8557 123.4403 55.3816 31.0679 174.8530 61 P 4.4363 0.0000 0.0000 64.6699 31.6441 177.3809 62 G 3.9786 8.8018 110.4771 44.7964 0.0000 173.5689 63 A 4.3471 8.1815 122.3875 51.6962 19.7988 176.7154 64 K 4.9288 8.4185 118.6860 55.2616 35.0640 176.1668 65 S 4.6241 8.7512 117.1481 58.3403 65.8231 172.2356 66 M 5.3277 8.5327 114.4384 54.4340 34.5219 174.1556 67 V 4.6296 8.7765 119.1116 61.1217 34.9310 173.9806 68 R 5.0216 9.3752 127.7368 54.6325 32.6318 174.3947 69 L 5.3807 9.0499 126.2903 53.0999 44.2619 175.7195 70 S 5.5400 9.0731 117.9252 56.7923 66.8659 172.8574 71 T 4.9325 8.4069 110.8585 60.3567 70.8415 174.0313 72 T 4.4732 8.2795 113.8397 59.4422 71.4257 173.7948 73 P 4.2393 0.0000 0.0000 65.7189 31.6187 178.4679 74 D 4.5118 8.0607 116.9697 56.0681 41.1998 177.9738 75 I 3.5064 7.8316 120.6330 63.7466 38.0186 177.8624 76 S 4.2597 7.6784 113.7725 60.8271 62.6945 175.5953 77 K 4.1489 7.7761 119.4483 58.1376 32.0591 177.4629 78 L 4.3052 7.5874 118.7933 53.3601 42.2181 175.1343 79 P 4.3867 0.0000 0.0000 63.2246 31.6900 176.7030 80 Q 4.4666 8.6308 120.0001 56.1724 29.1341 175.7783 81 D 4.8755 7.6474 116.4664 52.3375 39.8899 175.4555 82 R 4.3891 7.2647 113.2672 55.2635 31.6247 174.2131 83 E 4.5304 8.5065 119.4527 56.8253 30.3823 176.6210 84 S 5.1030 9.2803 118.1293 56.8348 66.4815 172.6751 85 L 4.6397 8.2703 124.4228 53.6008 43.4682 175.2136 86 F 4.8812 9.0266 123.8311 55.8573 43.9234 172.9328 87 Y 5.0507 9.1396 116.5149 56.4135 41.3951 174.8576 88 F 5.0073 8.9955 125.6583 56.6250 42.0023 174.0834 89 N 4.8325 7.0547 122.1037 50.9128 42.2798 173.2583 90 L 4.6228 8.5791 124.4031 53.3001 45.6008 174.8657 91 R 5.1954 9.0393 127.3121 54.3644 32.9161 174.4044 92 E 4.8071 8.9619 124.9311 56.2577 31.3511 176.5178 93 I 4.4428 8.8967 122.9912 59.0103 39.0906 173.6068 94 P 4.1440 0.0000 0.0000 60.9884 32.1012 175.1147 95 P 4.1772 0.0000 0.0000 62.4801 31.8180 176.4497 96 R 3.9712 8.3745 120.5711 56.2633 30.4649 176.2278 97 S 4.6646 8.4762 117.8309 57.2425 64.5340 173.9483 98 E 4.4233 8.4838 122.6304 56.5286 29.7571 176.6737 99 K 4.1136 7.4840 118.6065 55.8724 32.6999 177.2956 100 A 4.0028 8.4444 126.2070 53.4185 19.3570 177.1131 101 N 4.1973 8.7208 117.9479 54.9598 35.8695 174.3123 102 V 4.5139 7.4057 108.8121 59.3071 35.6609 175.3634 103 L 4.6524 8.3759 123.4240 53.1934 43.8068 175.3230 104 Q 4.6650 8.6052 126.4467 54.1985 31.1842 174.1993 105 I 4.3739 8.3192 124.9722 59.3844 39.1199 174.8479 106 A 4.7845 8.3401 127.2319 49.7693 20.8461 175.4056 107 L 4.1322 9.3694 126.5311 55.7363 43.3068 175.5033 108 Q 5.0952 8.7073 126.9434 54.6532 31.5460 174.2581 109 T 4.5152 8.9646 123.6908 61.8086 70.6825 173.4072 110 K 4.9654 8.6821 127.9303 54.5667 34.3319 174.9182 111 I 4.7584 8.7155 121.2446 58.6392 41.1241 175.2052 112 K 3.8767 8.4598 122.4734 56.2451 33.5845 176.0068 113 L 4.7748 8.2046 125.6135 53.3502 44.8531 175.0635 114 F 5.1215 8.9172 127.1147 56.4626 40.6772 174.6866 115 Y 4.7778 9.6504 126.9896 57.1126 40.1001 174.0915 116 R 4.7361 8.6408 128.4614 53.4631 31.6830 172.8458 117 P 4.2898 0.0000 0.0000 62.3825 32.4182 177.2577 118 A 3.8704 8.9625 125.5965 55.6220 18.3603 179.8305 119 A 4.1859 7.9558 116.4504 54.0033 18.6420 177.8630 120 I 4.4667 7.4471 108.7834 60.0406 37.9265 175.8279 121 K 4.0179 7.8236 121.9055 57.5096 32.4768 175.9987 122 T 4.8356 8.1315 114.1354 59.8523 71.7507 173.8269 123 R 4.4439 8.7726 121.6080 54.1582 31.4846 174.5698 124 P 4.5017 0.0000 0.0000 64.8580 31.4922 176.5840 125 N 4.5860 9.5024 119.5545 53.2586 36.7844 174.3317 126 E 4.0193 8.0108 119.1893 56.1558 30.2003 176.3037 127 V 3.9240 8.2475 124.5741 60.8793 33.1922 174.9682 128 W 4.6805 7.0336 123.2792 56.7228 29.3492 178.0453 129 Q 3.8587 6.9096 118.4146 58.0276 28.0646 176.9560 130 D 4.5314 7.6894 115.7113 53.9910 39.6396 176.6803 131 Q 4.3381 7.8256 118.2827 56.3137 29.3102 176.0456 132 L 4.5079 7.5244 118.3008 55.1165 42.7012 176.6294 133 I 4.9048 8.5774 122.3991 59.6556 40.5238 174.4491 134 L 4.9864 8.6719 126.8178 53.4152 43.9183 175.2513 135 N 5.5320 9.1993 120.7980 51.0750 41.5170 174.2113 136 K 4.1025 9.5180 125.4200 56.7858 32.9627 176.9542 137 V 4.3932 8.2710 116.5504 59.3497 36.0438 174.4414 138 S 4.0914 8.5573 116.6020 60.5782 62.7793 175.6509 139 G 3.9698 9.0242 112.7777 44.9978 0.0000 173.3771 140 G 4.2923 6.5364 109.2539 46.1279 0.0000 172.1903 141 Y 5.1662 8.6944 121.1372 56.0653 42.3998 174.3680 142 R 4.8673 9.2055 124.3261 55.3174 31.8206 174.8092 143 I 4.9180 9.1061 128.0721 59.7946 39.6578 174.3849 144 E 4.9245 9.3838 126.9362 54.6913 32.1498 174.6173 145 N 5.0577 9.3855 124.5177 51.3632 39.7535 172.9437 146 P 4.5221 0.0000 0.0000 63.2481 32.5286 176.8867 147 T 4.2745 7.9589 110.8943 60.4821 69.9152 173.3290 148 P 4.2035 0.0000 0.0000 63.3115 31.4279 174.9320 149 Y 4.9022 6.8313 116.0494 56.2211 40.4368 175.2925 150 Y 4.3071 9.0002 120.2749 58.2141 39.0422 175.8013 151 V 4.4778 9.0098 123.0173 61.5606 34.8859 174.2007 152 T 5.0277 8.7517 125.0011 62.3643 70.3663 173.6894 153 V 4.8094 9.0989 128.5435 61.4829 32.9034 175.8701 154 I 4.8397 8.6313 120.1983 60.6224 38.8006 175.5552 155 G 4.1893 7.2766 108.6407 46.0379 0.0000 172.5445 156 L 4.5164 7.7840 124.5652 54.2307 44.6881 174.1546 157 G 3.1818 8.5957 113.8069 45.3748 0.0000 172.5733 158 G 4.1873 8.0368 107.5564 45.7776 0.0000 173.7764 159 S 3.8359 7.1485 114.1720 55.1781 67.4078 174.2797 160 E 3.4976 7.2747 121.8143 59.3428 29.1425 178.7002 161 K 3.8583 7.6853 118.8854 59.5993 32.1580 178.6029 162 Q 3.8939 7.9237 118.0781 58.5817 28.6601 178.3941 163 A 3.8271 7.9552 121.9890 55.1679 18.1935 179.5188 164 E 3.9706 8.0110 115.9354 58.3918 29.7915 177.6438 165 E 4.5515 8.2423 115.8084 55.9731 31.5033 176.7665 166 G 3.7905 7.9287 108.1364 44.7179 0.0000 173.1258 167 E 4.1237 8.5709 122.0771 55.8750 30.2224 176.3073 168 F 4.5503 8.3397 126.5481 57.0360 42.3433 172.8071 169 E 4.0039 7.9749 129.3986 55.6567 29.2190 176.0163 170 T 4.5130 8.5860 123.2017 64.6926 69.2280 174.0316 171 V 4.5984 9.1350 124.4774 60.2054 35.2235 173.7121 172 M 5.1778 8.8668 123.4221 53.9551 34.1030 174.5788 173 L 4.6464 9.2255 127.1229 53.5327 43.2929 176.8801 174 S 4.1278 8.7695 119.9754 57.5213 63.7980 172.4084 175 P 4.1315 0.0000 0.0000 63.5119 31.6103 176.6342 176 R 3.8425 8.1635 121.6656 57.1133 28.0311 174.8839 177 S 4.9036 8.0054 111.4340 57.1569 67.5203 173.0738 178 E 5.2075 8.5113 116.0824 55.3509 32.6499 174.3858 179 Q 4.6571 9.2073 121.1556 55.3407 33.1128 173.0964 180 T 5.0443 8.5187 121.9792 62.2790 70.4235 174.2115 181 V 4.5041 9.2134 127.9981 61.4091 34.8376 175.2779 182 K 4.7304 8.7387 131.3592 55.4138 32.0254 173.5990 183 S 4.8354 9.2563 117.8046 56.2878 66.2900 174.3848 184 A 3.9916 8.6518 128.3429 51.6013 18.8815 176.8703 185 N 4.3230 8.1600 118.7893 53.4852 39.6050 174.0754 186 Y 4.9301 8.5132 123.0137 55.9701 40.9045 175.1242 187 N 4.4680 9.3844 123.8948 56.5793 39.1126 175.2469 188 T 4.5834 7.6120 111.2879 58.7869 69.6050 171.0069 189 P 4.7082 0.0000 0.0000 63.2135 33.0628 174.6192 190 Y 5.1699 9.4134 121.1523 56.1406 41.2417 174.5120 191 L 5.0697 9.1995 124.7647 53.3671 45.7086 174.9126 192 S 5.3947 8.7732 121.1614 56.9111 65.1275 172.2096 193 Y 5.3824 8.1331 122.3400 55.6295 41.9089 173.5477 194 I 4.8229 8.6432 121.7312 60.0547 38.9999 175.8161 195 N 4.8524 8.6069 124.5487 51.1919 39.4090 175.3912 196 D 4.3421 8.1743 116.8671 56.8291 40.6966 176.9548 197 Y 4.4646 7.8123 114.5106 57.3597 38.5897 176.3011 198 G 3.9029 8.3911 108.4059 45.6415 0.0000 174.0971 199 G 3.9891 8.3939 108.9512 44.6600 0.0000 173.8164 200 R 5.2839 7.7069 117.8568 52.5541 30.3341 173.8603 201 P 4.4315 0.0000 0.0000 61.9468 33.4418 175.1148 202 V 4.8865 8.0936 120.2465 61.2358 34.1364 174.4391 203 L 4.8075 9.4923 127.4070 53.0723 44.8277 175.1789 204 S 4.2937 8.3741 117.4589 56.9594 63.8050 172.7177 205 F 5.0004 8.7712 126.2811 55.8412 41.3979 175.2352 206 I 4.6430 8.8345 121.9750 59.8122 40.5564 173.8178 207 C 5.2735 8.8787 123.2980 55.4972 41.2617 173.1717 208 N 4.7631 9.2056 122.6577 52.3082 39.6930 175.2413 209 G 3.9578 8.1097 118.2162 47.1682 0.0000 175.1155 210 S 4.3472 8.7012 121.5393 59.3206 63.3044 172.8211 211 R 5.1234 7.6561 121.4607 54.9167 31.8056 174.3177 212 C 5.7506 9.4379 123.6304 55.3326 41.2472 173.2041 213 S 5.1510 9.0580 116.2710 56.2850 66.9983 173.1824 214 V 3.3856 7.8761 120.6193 62.2305 31.8209 175.1203 215 K 3.7318 8.1814 129.6819 57.1956 31.8388 177.3707 216 K 3.9013 8.6312 128.8920 57.6932 32.1438 174.0748 *217 E 4.2236 8.0383 118.2477 56.1622 30.3413 178.2633 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.12 4.05 0.20 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 2 V 8.05 4.27 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 0.85 0.00 0.00 1.03 0.00 0.00 3 S 9.30 4.88 0.00 3.88 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 4 L 8.42 5.17 0.00 1.72 1.62 1.03 1.42 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 5 D 8.34 4.92 0.00 2.68 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 6 R 7.68 4.58 0.00 1.92 1.92 0.00 2.95 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 7 T 8.31 4.51 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 1.24 0.00 0.00 8 R 7.49 4.88 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 9 A 8.95 4.81 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 10 V 8.49 4.83 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 1.05 0.00 0.00 11 F 9.73 4.41 0.00 3.27 3.06 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 12 D 8.38 4.66 0.00 2.72 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 0.00 0.00 0.00 0.00 13 G 9.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.64 4.43 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 15 E 8.28 4.71 0.00 1.83 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 2.15 2.23 0.00 16 K 8.33 4.64 0.00 1.67 1.79 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.97 7.81 17 S 7.61 5.51 0.00 4.03 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 18 M 9.09 4.90 0.00 1.60 1.95 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 19 T 8.31 5.08 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 L 8.72 4.74 0.00 1.33 1.41 0.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.95 5.09 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.58 4.97 1.99 0.00 0.00 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 1.05 0.76 0.99 0.00 0.00 23 S 8.64 4.85 0.00 3.93 3.68 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 24 N 9.44 5.05 0.00 2.87 2.89 0.00 0.00 7.19 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.94 4.63 0.00 2.52 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 26 N 8.13 4.42 0.00 2.53 2.76 0.00 0.00 7.05 5.90 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 27 K 8.78 4.39 0.00 2.05 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.02 7.81 28 Q 8.78 4.57 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 29 L 7.94 5.08 0.00 1.71 1.55 0.97 1.02 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 30 P 0.00 4.84 0.00 2.09 2.08 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 31 Y 8.91 4.62 0.00 2.90 2.91 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 32 L 8.70 5.11 0.00 1.65 1.61 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.08 5.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.43 5.26 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 35 A 9.43 5.40 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 36 W 7.87 5.13 0.00 3.36 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 37 I 8.62 5.12 1.95 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 1.52 1.12 0.95 0.00 0.00 38 E 9.34 5.41 0.00 2.03 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 2.55 2.55 0.00 39 N 9.02 4.93 0.00 2.90 3.10 0.00 0.00 7.00 8.31 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 40 E 8.39 3.99 0.00 2.09 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 2.20 2.34 0.00 41 N 8.80 4.68 0.00 3.06 2.89 0.00 0.00 6.92 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 42 Q 8.19 3.67 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.74 0.00 0.00 0.00 0.00 0.00 1.34 1.99 0.00 43 E 7.66 4.45 0.00 2.20 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 2.31 2.46 0.00 44 K 8.49 4.76 0.00 1.74 1.77 0.00 1.52 0.00 0.00 1.16 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.62 1.51 7.81 45 I 8.06 4.79 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 1.03 0.00 0.00 46 I 8.19 4.59 1.88 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 1.47 0.82 0.91 0.00 0.00 47 T 8.88 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 G 7.36 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 49 P 0.00 4.69 0.00 1.91 2.21 0.00 3.88 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 1.88 1.84 0.00 50 V 7.26 4.67 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.16 0.00 0.00 51 I 9.07 4.82 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.94 0.00 0.00 52 A 8.69 5.54 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.00 4.88 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 1.25 0.00 0.00 54 P 0.00 4.79 0.00 2.43 2.13 0.00 3.82 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 2.04 1.99 0.00 55 P 0.00 4.78 0.00 2.20 2.42 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 56 V 7.66 5.18 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 0.86 0.00 0.00 0.96 0.00 0.00 57 Q 9.06 4.69 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 58 R 8.53 4.77 0.00 1.86 1.89 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 59 L 8.82 4.78 0.00 1.78 1.60 0.97 0.73 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 60 E 8.86 4.46 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 61 P 0.00 4.44 0.00 2.06 2.12 0.00 3.78 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 2.07 2.15 0.00 62 G 8.80 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 63 A 8.18 4.35 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.42 4.93 0.00 1.63 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 65 S 8.75 4.62 0.00 3.87 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 66 M 8.53 5.33 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 67 V 8.78 4.63 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 1.11 0.00 0.00 1.10 0.00 0.00 68 R 9.38 5.02 0.00 1.88 1.88 0.00 3.12 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 69 L 9.05 5.38 0.00 1.78 1.65 0.87 0.61 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 70 S 9.07 5.54 0.00 3.88 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.41 4.93 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 0.71 0.00 0.00 72 T 8.28 4.47 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 73 P 0.00 4.24 0.00 2.19 2.15 0.00 3.59 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 2.11 2.11 0.00 74 D 8.06 4.51 0.00 2.67 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 75 I 7.83 3.51 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.69 0.92 0.00 0.00 76 S 7.68 4.26 0.00 4.01 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 77 K 7.78 4.15 0.00 1.96 1.91 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 78 L 7.59 4.31 0.00 1.75 1.68 0.69 0.84 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 79 P 0.00 4.39 0.00 2.05 1.98 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 80 Q 8.63 4.47 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.23 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 81 D 7.65 4.88 0.00 2.66 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 82 R 7.26 4.39 0.00 1.70 1.72 0.00 2.94 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 83 E 8.51 4.53 0.00 1.99 2.36 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 2.42 2.34 0.00 84 S 9.28 5.10 0.00 4.03 3.64 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 85 L 8.27 4.64 0.00 0.66 1.23 0.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.03 4.88 0.00 2.92 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 87 Y 9.14 5.05 0.00 2.88 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 88 F 9.00 5.01 0.00 3.16 2.91 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 89 N 7.05 4.83 0.00 1.44 1.42 0.00 0.00 6.15 6.03 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 90 L 8.58 4.62 0.00 1.43 1.37 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 R 9.04 5.20 0.00 2.10 2.08 0.00 3.25 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 92 E 8.96 4.81 0.00 2.25 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 2.56 2.50 0.00 93 I 8.90 4.44 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.90 0.00 0.00 94 P 0.00 4.14 0.00 1.88 2.01 0.00 3.69 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 2.18 2.29 0.00 95 P 0.00 4.18 0.00 2.04 1.86 0.00 3.02 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 96 R 8.37 3.97 0.00 1.78 1.90 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 97 S 8.48 4.66 0.00 3.99 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 98 E 8.48 4.42 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 99 K 7.48 4.11 0.00 1.71 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.38 7.81 100 A 8.44 4.00 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 0.00 101 N 8.72 4.20 0.00 2.87 2.88 0.00 0.00 6.79 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 0.00 102 V 7.41 4.51 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 0.79 0.00 0.00 1.00 0.00 0.00 103 L 8.38 4.65 0.00 1.55 1.54 0.93 0.67 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 0.00 104 Q 8.61 4.66 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 105 I 8.32 4.37 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.94 0.00 0.00 106 A 8.34 4.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.37 4.13 0.00 1.76 1.67 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.71 5.10 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.50 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 109 T 8.96 4.52 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 110 K 8.68 4.97 0.00 1.60 1.61 0.00 1.51 0.00 0.00 1.24 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.40 7.81 111 I 8.72 4.76 1.99 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 1.56 0.89 1.05 0.00 0.00 112 K 8.46 3.88 0.00 1.35 0.74 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.21 1.46 7.81 113 L 8.20 4.77 0.00 1.69 1.63 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.92 5.12 0.00 3.17 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 0.00 115 Y 9.65 4.78 0.00 3.23 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 0.00 116 R 8.64 4.74 0.00 1.92 1.83 0.00 3.14 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 117 P 0.00 4.29 0.00 2.15 1.99 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 118 A 8.96 3.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.96 4.19 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 0.00 120 I 7.45 4.47 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.72 0.00 0.00 121 K 7.82 4.02 0.00 1.87 1.76 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.38 7.81 122 T 8.13 4.84 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 0.82 0.00 0.00 123 R 8.77 4.44 0.00 1.94 1.91 0.00 3.18 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 124 P 0.00 4.50 0.00 2.05 2.05 0.00 3.78 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 2.06 2.18 0.00 125 N 9.50 4.59 0.00 2.89 3.00 0.00 0.00 7.01 8.33 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 0.00 126 E 8.01 4.02 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 127 V 8.25 3.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 128 W 7.03 4.68 0.00 3.61 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 0.00 129 Q 6.91 3.86 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.08 0.00 0.00 0.00 0.00 0.00 1.32 1.79 0.00 130 D 7.69 4.53 0.00 2.62 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 0.00 131 Q 7.83 4.34 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 132 L 7.52 4.51 0.00 1.81 1.73 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.58 4.90 1.93 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 1.29 0.63 1.07 0.00 0.00 134 L 8.67 4.99 0.00 1.45 1.33 -0.23 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 135 N 9.20 5.53 0.00 2.80 2.74 0.00 0.00 6.79 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 0.00 136 K 9.52 4.10 0.00 1.55 1.64 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.65 1.39 7.81 137 V 8.27 4.39 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 0.74 0.00 0.00 0.94 0.00 0.00 138 S 8.56 4.09 0.00 3.82 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 0.00 139 G 9.02 3.97 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 0.00 140 G 6.54 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 0.00 141 Y 8.69 5.17 0.00 2.99 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 0.00 142 R 9.21 4.87 0.00 1.89 1.85 0.00 3.09 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 143 I 9.11 4.92 1.94 0.00 0.00 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 1.23 0.75 0.93 0.00 0.00 144 E 9.38 4.92 0.00 1.89 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 2.44 2.34 0.00 145 N 9.39 5.06 0.00 2.80 2.81 0.00 0.00 6.59 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 0.00 146 P 0.00 4.52 0.00 2.22 2.15 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 147 T 7.96 4.27 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 148 P 0.00 4.20 0.00 1.47 2.06 0.00 3.43 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.57 0.00 149 Y 6.83 4.90 0.00 2.43 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.00 4.31 0.00 2.63 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 0.00 151 V 9.01 4.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.18 0.00 0.00 152 T 8.75 5.03 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 1.36 0.00 0.00 153 V 9.10 4.81 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.01 0.00 0.00 154 I 8.63 4.84 1.95 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 1.19 0.84 1.01 0.00 0.00 155 G 7.28 4.19 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 0.00 156 L 7.78 4.52 0.00 0.98 1.21 0.56 0.97 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 0.00 157 G 8.60 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.04 4.19 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 0.00 159 S 7.15 3.84 0.00 3.66 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 0.00 160 E 7.27 3.50 0.00 1.58 1.71 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 2.26 2.28 0.00 161 K 7.69 3.86 0.00 1.75 1.68 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 162 Q 7.92 3.89 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 163 A 7.96 3.83 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.01 3.97 0.00 1.91 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 2.27 2.47 0.00 165 E 8.24 4.55 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 166 G 7.93 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 0.00 0.00 0.00 167 E 8.57 4.12 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 168 F 8.34 4.55 0.00 2.99 3.06 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 0.00 169 E 7.97 4.00 0.00 1.76 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 170 T 8.59 4.51 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 1.34 0.00 0.00 171 V 9.14 4.60 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 1.10 0.00 0.00 1.01 0.00 0.00 172 M 8.87 5.18 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.90 0.00 173 L 9.23 4.65 0.00 1.71 1.61 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.77 4.13 0.00 3.72 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 0.00 175 P 0.00 4.13 0.00 1.66 1.69 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 176 R 8.16 3.84 0.00 1.89 1.93 0.00 3.05 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 177 S 8.01 4.90 0.00 3.85 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 0.00 178 E 8.51 5.21 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 179 Q 9.21 4.66 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 180 T 8.52 5.04 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 1.28 0.00 0.00 181 V 9.21 4.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.06 0.00 0.00 182 K 8.74 4.73 0.00 1.58 1.59 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.01 7.81 183 S 9.26 4.84 0.00 4.14 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 0.00 184 A 8.65 3.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.16 4.32 0.00 2.54 2.60 0.00 0.00 6.81 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 0.00 186 Y 8.51 4.93 0.00 3.08 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 0.00 187 N 9.38 4.47 0.00 2.77 2.96 0.00 0.00 6.89 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 0.00 188 T 7.61 4.58 4.19 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 1.26 0.00 0.00 189 P 0.00 4.71 0.00 1.82 1.78 0.00 3.58 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.38 0.00 190 Y 9.41 5.17 0.00 2.90 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 0.00 191 L 9.20 5.07 0.00 1.42 1.65 0.66 0.82 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 0.00 192 S 8.77 5.39 0.00 3.84 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 0.00 193 Y 8.13 5.38 0.00 3.22 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 0.00 194 I 8.64 4.82 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.01 0.00 0.00 195 N 8.61 4.85 0.00 2.90 3.03 0.00 0.00 6.69 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 0.00 196 D 8.17 4.34 0.00 1.58 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 0.00 197 Y 7.81 4.46 0.00 3.00 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 0.00 198 G 8.39 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.39 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 0.00 0.00 0.00 200 R 7.71 5.28 0.00 1.68 1.74 0.00 3.24 0.00 0.00 3.88 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 201 P 0.00 4.43 0.00 1.61 1.79 0.00 2.35 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 202 V 8.09 4.89 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 1.00 0.00 0.00 0.87 0.00 0.00 203 L 9.49 4.81 0.00 1.81 1.40 0.94 0.77 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 0.00 204 S 8.37 4.29 0.00 3.75 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 0.00 205 F 8.77 5.00 0.00 2.90 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 0.00 206 I 8.83 4.64 1.85 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 1.16 1.12 0.92 0.00 0.00 207 C 8.88 5.27 0.00 2.91 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 N 9.21 4.76 0.00 2.69 2.72 0.00 0.00 6.89 8.48 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 0.00 209 G 8.11 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 0.00 210 S 8.70 4.35 0.00 3.91 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 0.00 211 R 7.66 5.12 0.00 1.96 1.82 0.00 3.06 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 212 C 9.44 5.75 0.00 2.90 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 0.00 213 S 9.06 5.15 0.00 3.82 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 0.00 214 V 7.88 3.39 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 0.50 0.00 0.00 -0.21 0.00 0.00 215 K 8.18 3.73 0.00 1.75 1.72 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.30 7.81 216 K 8.63 3.90 0.00 1.77 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *217 E 8.04 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.