NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5371 8.1927 115.4354 57.8089 64.7368 173.9677 3 K 3.8378 8.5994 119.9480 59.3738 31.8725 177.1403 4 L 3.9913 7.8228 119.2347 57.7811 41.9800 179.0614 5 S 4.1967 7.9857 114.4453 61.0008 63.1206 176.1682 6 L 3.8281 7.9673 123.9988 58.0699 41.8950 178.8771 7 I 3.5236 7.7907 119.6304 64.6481 36.8257 178.3775 8 Q 4.0457 7.9019 119.7977 59.6432 28.7868 179.3077 9 Q 4.1944 8.1235 121.6631 60.2848 28.2269 180.3969 10 L 4.2662 8.4896 121.4973 57.5467 41.3938 179.4678 11 K 4.2349 7.6568 116.4426 58.3946 32.0410 178.7335 12 Q 4.1736 8.1220 118.0925 57.0949 29.0220 176.0997 13 Q 4.6433 7.4847 118.4168 54.7781 30.5277 175.5095 14 K 5.1221 8.5372 117.3967 55.2934 34.7366 175.2995 15 L 4.8863 7.6135 121.7847 53.2002 45.2044 175.0434 16 S 4.1949 8.5952 121.5408 56.3971 64.3096 172.8589 17 V 4.3893 7.9105 129.3021 61.1198 32.6473 176.2307 18 G 4.1917 8.2861 117.1814 45.8261 0.0000 173.4156 19 I 3.5633 7.3667 126.5449 63.9642 38.4342 177.3107 20 L 4.3420 7.4511 117.0320 55.3709 41.4601 177.5819 21 S 4.3011 7.8677 115.1600 59.9078 63.1054 174.4172 22 A 3.4014 6.9947 123.3501 50.6358 18.8749 176.4366 23 N 4.5570 8.3073 118.2301 53.2355 39.3262 176.1036 24 W 4.2567 8.9401 125.6758 59.3589 29.3618 176.8650 25 L 4.3999 8.5170 116.9068 55.5344 41.4185 177.0937 26 Q 4.6629 8.3171 117.4721 55.1063 30.1512 177.1444 27 L 4.0086 8.0844 121.0852 58.0656 41.5161 178.8763 28 N 4.3783 8.1954 118.8897 57.2562 39.0332 177.3367 29 E 4.0699 8.1342 119.3429 61.0642 29.9925 180.9280 30 E 4.2937 8.2930 119.4143 59.4397 29.6518 179.5568 31 V 3.7289 8.0947 118.3618 66.2661 31.5139 178.2324 32 T 3.9389 8.0637 115.5967 66.9482 67.7821 176.7084 33 T 3.9099 8.0576 117.6233 66.6076 68.3609 176.7327 34 L 4.0323 7.9034 120.4104 57.8511 41.7226 179.5466 35 L 4.1420 8.0559 118.9243 57.8797 41.3464 179.4066 36 E 4.1532 8.3520 117.4106 58.3775 29.3209 178.0582 37 N 4.8721 7.2981 113.6839 52.1070 39.1405 174.4586 38 Q 3.6039 8.0292 117.4959 57.0532 26.8496 173.3144 39 I 4.6514 8.0354 118.8113 59.7915 39.2922 175.2698 40 N 5.0721 9.2958 120.7934 52.4016 39.8534 173.4733 41 V 4.4950 7.6317 120.4336 62.1309 33.1304 174.3531 42 L 4.8604 8.6726 128.3595 53.0876 44.2950 174.9147 43 H 5.1627 8.8160 124.3363 54.7720 32.0013 173.6326 44 F 4.9175 8.8786 123.5942 55.7805 42.6310 173.7108 45 D 5.1338 8.9737 123.6787 53.3085 41.3072 176.5113 46 I 4.9039 9.0573 126.7791 59.0582 38.3606 174.8188 47 A 4.9742 8.7463 129.0989 49.9790 22.1785 175.7946 48 D 4.7183 9.0965 120.4890 52.6091 39.9739 177.3876 49 G 3.9953 8.5325 107.4119 46.1987 0.0000 174.2330 50 Q 4.3739 8.6596 118.3948 57.4095 30.2258 176.9738 51 F 4.2996 8.5554 118.3541 60.7923 39.6375 174.1022 52 S 4.4747 7.6305 112.7490 56.9152 65.5984 173.9612 53 S 4.3055 8.5274 113.3938 59.8469 63.2904 173.9942 54 L 4.1561 8.0631 125.7811 55.4016 42.8806 175.7029 55 F 4.9962 8.8932 128.7893 57.8723 40.6096 172.4673 56 T 4.5854 9.3150 114.9630 61.5770 70.1574 174.3827 57 V 4.5204 7.5480 118.8969 60.0210 35.4703 174.2503 58 G 4.3497 8.4633 111.2258 44.8428 0.0000 173.8768 59 A 3.9177 8.5356 119.5897 55.0591 18.1983 179.6756 60 I 3.6084 7.9278 117.0349 64.2322 37.6493 177.9557 61 G 3.6803 8.0296 106.0475 46.9768 0.0000 174.6733 62 I 3.4344 7.2475 113.4207 60.9214 37.9884 177.6735 63 K 3.5855 7.1608 121.6839 59.5182 31.8819 176.9141 64 Y 4.4741 7.4477 112.3599 58.0571 38.3741 175.6043 65 F 4.3000 7.5737 119.7288 55.9809 40.0618 173.8721 66 P 4.3922 0.0000 0.0000 63.0432 31.6009 177.3533 67 T 4.2397 8.4690 110.7643 63.1721 68.9979 174.6012 68 H 4.7794 7.9152 116.8146 56.1068 29.3464 174.6095 69 C 4.8267 7.7653 118.4803 59.0277 29.7211 173.0463 70 F 4.3012 9.3417 125.7293 57.4943 40.3477 174.5515 71 K 4.7972 9.4525 127.8814 55.4649 33.4240 175.5800 72 D 5.0580 9.4704 127.4070 52.8791 42.6306 175.2423 73 V 4.6241 8.7916 127.9475 61.5210 33.6496 174.0140 74 H 5.2327 9.3588 130.1238 54.8933 30.9897 174.4817 75 L 4.9871 8.7165 126.9867 52.9232 43.4820 176.5008 *77 V 4.2611 8.0209 112.3317 61.4232 32.6276 176.4980 78 R 4.0182 9.1123 121.8394 59.4838 30.1889 177.4740 79 N 4.7425 7.7435 121.3176 52.1955 37.8961 174.8954 80 Q 3.9555 9.1222 124.0193 58.1231 28.9827 177.6827 81 L 3.7424 7.9201 120.9411 58.0737 42.2346 178.5443 82 E 3.6980 8.1470 118.6444 59.2365 29.6637 178.7837 83 V 3.4978 7.6634 118.0075 65.6998 31.5208 177.6450 84 A 3.9784 8.2473 121.0160 55.2721 18.2103 179.7026 85 K 3.4473 7.6224 116.4899 59.4162 31.7896 179.4736 86 A 3.9469 7.6774 120.8283 55.2786 18.2248 180.1614 87 V 3.5396 8.2430 111.3992 64.2383 31.5175 179.0520 88 V 3.5746 8.1591 118.1321 65.9465 31.2074 177.9429 89 A 4.0304 8.0833 119.4644 54.6158 18.1870 178.2941 90 N 4.7013 7.4497 112.6270 53.0094 38.8278 175.8111 91 G 3.8746 8.2088 108.6712 44.9552 0.0000 173.8947 92 A 3.8398 7.6293 121.8787 53.0680 18.7552 177.9090 93 N 4.5780 8.5655 118.6276 53.6045 40.8472 174.9265 94 L 5.1124 7.3992 120.0773 53.1506 46.0333 175.1048 95 V 4.7180 8.8239 126.0025 61.6090 33.6325 174.0338 96 T 4.8821 9.1674 125.8617 62.0525 70.4876 174.3001 97 L 4.5512 8.6784 126.6735 53.3499 44.8783 175.4994 98 Q 4.6101 8.6191 120.4287 54.8537 29.3093 176.9980 99 L 3.0622 8.6319 127.4224 57.6926 42.1669 178.0870 100 E 3.1816 7.9596 116.5183 57.9387 30.0587 177.4969 101 Q 4.4172 7.3927 120.9951 54.5533 26.5807 176.0118 102 Y 4.3088 7.7170 119.2294 60.9898 38.7776 178.7500 103 H 4.5398 8.4457 114.7656 57.8336 28.9786 175.5763 104 D 4.8077 7.4485 113.4027 51.9091 40.5975 176.8500 105 F 3.8396 8.0955 121.4331 61.7867 39.2847 176.8640 106 A 4.0661 8.2032 119.5419 55.3202 18.4240 179.3426 107 L 4.0051 7.9571 116.8936 58.4110 41.6704 179.8447 108 T 4.0093 8.2289 116.2239 66.4067 68.3068 176.9774 109 I 3.7075 7.7029 115.1175 63.5540 37.3472 177.9946 110 E 3.8945 8.0042 120.7331 58.8241 29.7692 178.3402 111 W 4.1617 8.1612 128.1401 60.5069 30.7647 177.8779 112 L 3.6922 8.4972 119.1781 57.7626 40.8670 179.3445 113 A 3.9416 7.9542 119.3506 54.2093 18.3247 178.6842 114 K 4.1267 7.4184 114.9679 55.8202 33.0977 176.2461 115 Q 4.4759 7.2923 119.6651 54.1665 31.1033 174.8534 116 K 5.1812 8.2481 119.9950 55.3220 36.4134 174.9587 117 T 4.7688 9.2239 116.7647 61.3876 71.8803 171.9180 118 T 5.1746 8.4694 113.7670 60.0181 70.2091 173.3152 119 Y 5.0162 8.9375 126.7691 56.6544 42.5197 173.9777 120 A 3.7241 8.3244 130.1748 53.7529 17.1263 179.1242 121 N 5.1276 8.7501 112.8102 54.6101 39.0636 174.1486 122 Q 4.5933 8.1653 119.9826 54.9987 33.7006 177.5403 123 V 4.8007 7.9969 120.5060 60.4092 33.1336 175.3221 124 Y 5.0014 9.0352 122.8283 54.3294 42.3272 173.4596 125 P 4.8259 0.0000 0.0000 62.3910 32.3510 176.6636 126 V 3.8676 8.1546 123.4155 63.0819 32.0939 175.9327 127 L 4.5542 9.0131 128.0257 54.6953 43.3689 175.7533 128 I 4.8336 9.1103 122.9131 59.5287 39.9788 175.0261 129 G 4.5834 9.4817 113.5734 43.3416 0.0000 171.5884 130 A 5.3006 8.8892 122.7291 50.0146 22.0240 174.6083 131 C 5.2381 9.4355 123.4756 57.5227 34.6305 172.4490 132 L 5.1568 8.4781 125.1429 52.8487 44.6202 176.4421 133 C 4.5536 9.4075 121.6710 58.9036 28.8197 173.1128 134 P 4.0563 0.0000 0.0000 65.3562 30.7932 177.4859 135 E 4.3171 7.7071 114.6505 56.7452 30.0904 176.3060 136 T 4.0818 7.5038 116.9906 62.3702 69.0613 172.7551 137 P 4.3687 0.0000 0.0000 62.4728 32.1101 177.3901 138 I 3.7415 8.6142 124.1034 64.5921 37.0065 178.5285 139 S 4.2565 8.1743 114.4343 61.4869 62.3776 176.0433 140 E 4.1765 8.0010 120.7380 58.3974 29.4120 178.4597 141 L 4.3597 8.2100 119.4216 56.7424 41.2472 178.6303 142 E 3.9521 8.1108 119.4070 59.2263 29.2759 177.5095 143 P 4.2128 0.0000 0.0000 64.2729 31.5944 176.9554 144 Y 4.8097 7.8317 114.1327 57.3624 38.7516 177.1786 145 L 4.0983 7.6635 120.4915 57.8297 41.7733 178.4880 146 D 4.5813 8.0319 116.8865 56.1421 41.2194 177.8350 147 Q 4.2942 7.9547 117.3754 55.8280 29.2876 175.6325 148 I 4.5218 7.0744 112.4495 59.3267 40.1794 174.6691 149 D 4.7897 8.9804 120.8171 54.7244 43.3966 176.6433 150 V 4.7393 7.6025 117.6119 60.9095 35.1452 174.2153 151 I 4.7883 8.8468 128.7124 59.6160 39.7006 174.1104 152 Q 4.9703 9.0834 129.2989 54.2457 31.4311 173.9310 153 L 4.8524 8.7078 127.2810 52.9240 43.5476 176.1106 154 L 4.7834 8.3449 125.1431 55.1058 41.6426 177.5343 155 T 4.5260 9.0709 112.6646 62.5316 70.1170 174.1852 156 L 4.7469 7.7199 120.8508 54.5173 43.7401 174.5671 157 D 4.8795 8.7278 119.0648 51.7866 41.7922 175.0532 158 P 4.5018 0.0000 0.0000 64.7984 31.4281 177.1859 159 R 4.1712 8.5775 117.7091 56.8684 30.3229 175.2749 160 N 5.1256 8.1869 114.7158 51.6083 42.1969 174.1935 161 G 4.0837 8.3883 105.1186 45.5941 0.0000 173.7346 162 T 3.6738 7.6759 116.6058 62.9159 68.8435 174.1556 163 K 4.1887 8.1537 127.3102 55.2245 31.8895 175.0222 164 Y 4.5636 8.2625 124.7002 55.7144 39.3583 174.3155 165 P 4.3939 0.0000 0.0000 62.7321 32.3942 177.7088 166 S 4.3844 8.6231 117.1021 61.5082 62.9345 176.5201 167 E 4.7948 8.0854 123.3016 58.9804 29.1978 179.0934 168 L 4.2969 8.0581 118.6817 57.7504 41.6104 179.6375 169 I 3.7852 7.8217 119.6548 64.2332 37.1551 178.1966 170 L 4.0690 8.2505 120.8333 58.2028 42.0492 178.4094 171 D 4.4133 8.3451 118.9542 57.6195 40.7366 179.1380 172 R 3.9754 7.9824 118.4890 58.8971 29.9419 179.0973 173 V 3.5344 7.7565 118.2655 66.1058 31.4704 178.1492 174 I 3.7741 7.5770 119.1324 64.6011 36.4571 178.4392 175 Q 4.0825 8.1299 118.7955 58.8080 28.4545 179.2982 176 V 3.5768 7.7078 119.3724 65.7973 31.6385 177.5116 177 E 3.9119 8.3889 119.4433 59.5126 29.2350 179.0043 178 K 3.9875 8.2117 117.2634 59.5805 32.1387 179.3019 179 R 4.0930 7.5060 116.8385 59.1279 30.2935 178.7406 180 L 4.1141 8.2321 119.0755 56.0629 42.1061 178.2277 181 G 3.7790 8.6488 107.9735 46.6583 0.0000 175.9893 182 N 4.5913 8.8140 121.5740 54.2393 37.4952 176.1426 183 R 4.4185 7.9308 117.9979 57.3103 30.8446 178.3302 184 R 3.8544 7.9152 119.0407 59.2747 30.0837 178.8170 185 V 3.6707 7.7082 115.7299 64.3345 31.4617 176.6244 186 E 4.2067 8.3512 119.1548 57.0781 29.7496 175.7815 187 K 4.8164 7.7441 117.4724 54.3930 36.0319 175.3008 188 L 4.6169 8.3505 121.7100 53.2964 44.0549 175.8046 189 I 4.8538 9.2612 124.6399 59.8476 39.3603 174.3670 190 N 5.4990 9.1203 124.9634 51.3383 42.3154 173.8076 191 I 4.8936 8.3942 121.7460 59.5768 40.4125 174.2202 192 D 4.8970 9.5043 125.9420 52.9298 44.9702 173.3657 193 G 3.8858 10.3198 111.4962 45.8433 0.0000 173.7289 194 S 3.2295 8.6793 118.9896 59.2696 61.6879 172.4599 *196 T 4.1883 7.8946 113.2119 61.2339 70.9001 174.8459 197 L 4.0498 8.2322 121.7096 58.1542 42.0769 178.2529 198 E 3.9123 8.1614 118.7911 59.3203 29.5647 178.4540 199 L 3.7755 7.9235 119.9869 57.9459 42.0976 178.5275 200 A 4.2793 8.4276 121.0747 55.4149 18.3756 179.7851 201 K 3.9122 8.4363 117.1082 59.6322 32.1095 178.8590 202 Y 4.0493 8.0522 119.7436 60.9808 38.4926 178.4433 203 F 4.3276 8.0650 117.2562 59.9356 38.5654 177.1004 204 K 4.4507 8.4160 119.3394 57.7264 32.0484 179.8623 205 Q 4.4686 7.7939 122.3169 57.4703 28.4508 183.2842 206 G 3.9245 10.3943 115.3387 47.5214 0.0000 173.6691 207 T 3.5847 8.5977 113.8055 60.6887 66.6354 167.8808 208 H 4.7912 7.5586 125.4836 53.3465 28.7444 174.6062 209 Q 3.9359 8.5975 125.3588 56.6541 29.1416 176.1650 210 I 4.5753 8.1703 125.0972 59.7331 39.3193 174.5501 211 D 4.6174 8.7833 126.0992 55.0258 41.2248 175.4834 212 W 5.3881 9.1138 117.7230 55.1062 32.3378 174.4713 213 L 5.0146 8.6195 123.8005 53.7078 43.1225 175.7055 214 V 4.5568 8.4262 124.4279 61.7620 32.1030 175.7922 215 S 4.4978 8.6405 122.9899 56.8670 65.1218 173.7303 216 G 4.3394 8.2739 112.1232 44.7178 0.0000 176.0716 217 S 4.3075 8.9574 116.5688 60.9633 63.5615 176.4667 218 A 3.9797 8.1849 123.9131 54.9714 18.2733 179.0839 219 L 3.7580 7.3837 115.1761 57.4301 42.0857 177.6521 220 F 4.5208 7.9339 114.6809 56.9608 39.1684 175.5932 221 S 4.3097 7.9649 117.1495 59.1269 61.1468 174.4258 222 G 3.9774 8.5654 113.8197 44.6664 0.0000 171.7417 223 E 4.0924 8.3998 117.9171 55.7910 30.6599 177.5357 224 L 3.8311 8.7323 125.6897 58.5279 42.0469 179.3356 225 K 3.9338 8.0866 117.4717 59.8466 31.9888 179.3245 226 T 3.8730 7.7715 115.2816 66.8682 68.4640 176.5420 227 N 4.4311 8.4139 118.5441 56.1000 38.3946 177.5934 228 L 4.0703 8.3423 121.1266 57.5673 41.7271 179.5366 229 K 3.9712 7.9481 118.2463 59.3977 32.0403 179.5384 230 V 3.5891 7.8033 118.4259 65.6854 31.5225 177.8188 231 W 4.2195 8.4705 128.2866 60.6642 30.3773 178.1441 232 K 3.7812 8.2555 117.4677 59.1782 31.5129 179.1396 233 S 4.2762 7.7460 113.5307 60.6905 63.2383 176.2534 234 S 4.2621 7.7095 117.1691 60.0757 63.2648 174.1906 235 I 3.7951 7.1284 126.6441 60.8718 37.1014 175.1515 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 S 8.19 4.54 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.60 3.84 0.00 1.98 1.87 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.63 7.81 4 L 7.82 3.99 0.00 1.74 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.99 4.20 0.00 4.05 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 6 L 7.97 3.83 0.00 1.39 1.81 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.79 3.52 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.79 0.00 0.00 8 Q 7.90 4.05 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 9 Q 8.12 4.19 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 L 8.49 4.27 0.00 1.62 1.78 0.37 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 0.00 0.00 0.00 0.00 11 K 7.66 4.23 0.00 1.96 1.86 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.49 7.81 12 Q 8.12 4.17 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 13 Q 7.48 4.64 0.00 2.27 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 14 K 8.54 5.12 0.00 2.04 2.10 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.27 7.81 15 L 7.61 4.89 0.00 1.32 1.21 -0.04 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.60 4.19 0.00 3.42 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 17 V 7.91 4.39 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 1.11 0.00 0.00 0.70 0.00 0.00 18 G 8.29 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 19 I 7.37 3.56 1.47 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 1.31 1.09 -0.26 0.00 0.00 20 L 7.45 4.34 0.00 1.76 1.97 1.03 0.35 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 21 S 7.87 4.30 0.00 4.23 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 22 A 6.99 3.40 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.31 4.56 0.00 2.76 2.92 0.00 0.00 6.88 7.95 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 24 W 8.94 4.26 0.00 3.24 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.52 4.40 0.00 1.79 1.73 0.94 1.11 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 26 Q 8.32 4.66 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 27 L 8.08 4.01 0.00 1.59 1.72 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.20 4.38 0.00 2.78 2.79 0.00 0.00 7.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.13 4.07 0.00 2.01 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 2.31 1.97 0.00 30 E 8.29 4.29 0.00 2.21 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 0.00 2.64 2.42 0.00 31 V 8.09 3.73 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.22 0.00 0.00 32 T 8.06 3.94 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 33 T 8.06 3.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 34 L 7.90 4.03 0.00 1.90 1.87 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.06 4.14 0.00 1.91 1.77 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.35 4.15 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 37 N 7.30 4.87 0.00 2.94 2.84 0.00 0.00 7.00 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 38 Q 8.03 3.60 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 39 I 8.04 4.65 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.78 0.00 0.00 40 N 9.30 5.07 0.00 2.84 3.03 0.00 0.00 6.12 7.15 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 41 V 7.63 4.50 1.58 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 0.02 0.00 0.00 0.43 0.00 0.00 42 L 8.67 4.86 0.00 1.39 0.82 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.82 5.16 0.00 3.06 2.97 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.88 4.92 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.97 5.13 0.00 2.63 2.67 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 46 I 9.06 4.90 1.87 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 1.13 2.44 0.92 0.00 0.00 47 A 8.75 4.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 9.10 4.72 0.00 2.68 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 49 G 8.53 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 50 Q 8.66 4.37 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 51 F 8.56 4.30 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.63 4.47 0.00 4.07 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 53 S 8.53 4.31 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.06 4.16 0.00 1.91 1.72 0.99 0.62 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 55 F 8.89 5.00 0.00 2.93 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 56 T 9.31 4.59 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 57 V 7.55 4.52 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.08 0.00 0.00 58 G 8.46 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.54 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.93 3.61 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.96 0.00 0.00 61 G 8.03 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 0.00 0.00 0.00 62 I 7.25 3.43 1.02 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 -0.06 0.00 0.00 63 K 7.16 3.59 0.00 1.36 1.24 0.00 1.47 0.00 0.00 0.95 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.76 1.10 7.81 64 Y 7.45 4.47 0.00 2.72 2.67 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 65 F 7.57 4.30 0.00 3.13 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 66 P 0.00 4.39 0.00 1.79 1.90 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 67 T 8.47 4.24 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 1.24 0.00 0.00 68 H 7.92 4.78 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.77 4.83 0.00 3.15 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 70 F 9.34 4.30 0.00 2.50 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.45 4.80 0.00 1.62 1.71 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.40 7.81 72 D 9.47 5.06 0.00 3.15 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 73 V 8.79 4.62 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 0.66 0.00 0.00 0.93 0.00 0.00 74 H 9.36 5.23 0.00 3.14 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.72 4.99 0.00 1.52 1.55 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *77 V 8.02 4.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 78 R 9.11 4.02 0.00 1.80 1.96 0.00 3.24 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 79 N 7.74 4.74 0.00 2.75 2.74 0.00 0.00 7.10 6.75 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 80 Q 9.12 3.96 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 81 L 7.92 3.74 0.00 1.65 1.68 0.66 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.15 3.70 0.00 2.10 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 2.29 2.27 0.00 83 V 7.66 3.50 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 0.92 0.00 0.00 0.97 0.00 0.00 84 A 8.25 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.62 3.45 0.00 1.60 1.53 0.00 1.19 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.53 7.81 86 A 7.68 3.95 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 87 V 8.24 3.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.02 0.00 0.00 88 V 8.16 3.57 2.51 0.00 0.00 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 0.00 0.00 1.13 0.00 0.00 89 A 8.08 4.03 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 90 N 7.45 4.70 0.00 2.57 2.68 0.00 0.00 7.30 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 91 G 8.21 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.63 3.84 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 93 N 8.57 4.58 0.00 1.44 1.68 0.00 0.00 6.13 6.29 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 94 L 7.40 5.11 0.00 1.94 1.56 1.00 1.11 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 95 V 8.82 4.72 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 1.00 0.00 0.00 0.94 0.00 0.00 96 T 9.17 4.88 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 1.13 0.00 0.00 97 L 8.68 4.55 0.00 1.61 1.74 0.44 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.62 4.61 0.00 1.55 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.07 1.16 0.00 99 L 8.63 3.06 0.00 1.32 1.43 0.06 1.12 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 0.00 100 E 7.96 3.18 0.00 2.14 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 2.39 2.35 0.00 101 Q 7.39 4.42 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 102 Y 7.72 4.31 0.00 3.08 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 0.00 103 H 8.45 4.54 0.00 3.30 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.45 4.81 0.00 2.74 2.77 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 0.00 105 F 8.10 3.84 0.00 3.29 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 0.00 106 A 8.20 4.07 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.96 4.01 0.00 1.86 1.75 0.95 0.80 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 0.00 108 T 8.23 4.01 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 1.17 0.00 0.00 109 I 7.70 3.71 1.71 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.30 0.00 0.00 110 E 8.00 3.89 0.00 2.13 2.32 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 2.37 2.34 0.00 111 W 8.16 4.16 0.00 3.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.50 3.69 0.00 1.82 1.66 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.95 3.94 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 0.00 114 K 7.42 4.13 0.00 1.47 1.65 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.48 7.81 115 Q 7.29 4.48 0.00 1.66 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.72 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 116 K 8.25 5.18 0.00 1.53 1.64 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.33 7.81 117 T 9.22 4.77 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 1.33 0.00 0.00 118 T 8.47 5.17 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 0.00 119 Y 8.94 5.02 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.32 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.75 5.13 0.00 2.91 2.73 0.00 0.00 6.41 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 0.00 122 Q 8.17 4.59 0.00 1.71 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 123 V 8.00 4.80 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 0.90 0.00 0.00 0.93 0.00 0.00 124 Y 9.04 5.00 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.83 0.00 1.96 1.98 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 8.15 3.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.88 0.00 0.00 127 L 9.01 4.55 0.00 1.72 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 128 I 9.11 4.83 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.81 0.00 0.00 129 G 9.48 4.58 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 0.00 130 A 8.89 5.30 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 0.00 131 C 9.44 5.24 0.00 2.84 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 0.00 132 L 8.48 5.16 0.00 1.60 1.47 0.87 0.69 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 0.00 133 C 9.41 4.55 0.00 3.07 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 0.00 134 P 0.00 4.06 0.00 0.49 1.43 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.06 0.00 135 E 7.71 4.32 0.00 1.98 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 2.40 2.37 0.00 136 T 7.50 4.08 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 1.23 0.00 0.00 137 P 0.00 4.37 0.00 2.20 1.99 0.00 3.67 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 2.14 2.13 0.00 138 I 8.61 3.74 1.87 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 1.69 0.94 0.91 0.00 0.00 139 S 8.17 4.26 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.00 4.18 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 141 L 8.21 4.36 0.00 1.96 1.78 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.11 3.95 0.00 2.09 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 2.34 2.47 0.00 143 P 0.00 4.21 0.00 0.75 1.72 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 144 Y 7.83 4.81 0.00 3.10 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 0.00 145 L 7.66 4.10 0.00 1.65 1.76 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.03 4.58 0.00 2.66 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 0.00 147 Q 7.95 4.29 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 148 I 7.07 4.52 2.01 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 1.69 0.65 1.03 0.00 0.00 149 D 8.98 4.79 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.60 4.74 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 0.98 0.00 0.00 0.74 0.00 0.00 151 I 8.85 4.79 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.88 0.00 0.00 152 Q 9.08 4.97 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 153 L 8.71 4.85 0.00 1.49 1.49 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.34 4.78 0.00 1.74 1.84 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 155 T 9.07 4.53 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 156 L 7.72 4.75 0.00 1.85 1.77 1.02 0.76 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 D 8.73 4.88 0.00 2.80 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 0.00 158 P 0.00 4.50 0.00 2.32 2.27 0.00 3.98 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 2.27 2.19 0.00 159 R 8.58 4.17 0.00 1.82 1.88 0.00 2.66 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.00 160 N 8.19 5.13 0.00 2.95 2.86 0.00 0.00 6.72 7.17 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 0.00 161 G 8.39 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.68 3.67 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 0.49 0.00 0.00 163 K 8.15 4.19 0.00 1.65 1.65 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.44 7.81 164 Y 8.26 4.56 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.39 0.00 2.23 1.99 0.00 3.71 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 166 S 8.62 4.38 0.00 3.92 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 0.00 167 E 8.09 4.79 0.00 2.12 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 2.44 2.42 0.00 168 L 8.06 4.30 0.00 1.99 1.78 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.82 3.79 2.29 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 1.60 1.02 0.74 0.00 0.00 170 L 8.25 4.07 0.00 2.08 2.01 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.35 4.41 0.00 3.00 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 0.00 172 R 7.98 3.98 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 173 V 7.76 3.53 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 1.09 0.00 0.00 0.90 0.00 0.00 174 I 7.58 3.77 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.39 0.87 0.00 0.00 175 Q 8.13 4.08 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 176 V 7.71 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 177 E 8.39 3.91 0.00 2.33 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 2.33 2.37 0.00 178 K 8.21 3.99 0.00 1.98 1.86 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.36 7.81 179 R 7.51 4.09 0.00 1.94 1.99 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 180 L 8.23 4.11 0.00 1.83 1.78 0.90 0.72 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 0.00 181 G 8.65 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 0.00 182 N 8.81 4.59 0.00 2.84 2.95 0.00 0.00 5.91 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 0.00 183 R 7.93 4.42 0.00 2.07 2.00 0.00 3.24 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 184 R 7.92 3.85 0.00 1.88 1.93 0.00 3.11 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 185 V 7.71 3.67 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 186 E 8.35 4.21 0.00 2.12 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 2.30 2.26 0.00 187 K 7.74 4.82 0.00 1.54 1.71 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 188 L 8.35 4.62 0.00 1.23 1.28 -0.58 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 189 I 9.26 4.85 1.80 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 1.17 0.60 0.84 0.00 0.00 190 N 9.12 5.50 0.00 2.57 2.81 0.00 0.00 6.40 6.97 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 0.00 191 I 8.39 4.89 1.62 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.52 0.48 0.00 0.00 192 D 9.50 4.90 0.00 2.63 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 0.00 0.00 0.00 0.00 193 G 10.32 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 0.00 194 S 8.68 3.23 0.00 4.02 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 *196 T 7.89 4.19 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 1.29 0.00 0.00 197 L 8.23 4.05 0.00 1.85 1.75 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.16 3.91 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 199 L 7.92 3.78 0.00 1.83 1.85 0.56 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 200 A 8.43 4.28 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 K 8.44 3.91 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 202 Y 8.05 4.05 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 F 8.07 4.33 0.00 3.16 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 0.00 204 K 8.42 4.45 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.78 1.63 7.81 205 Q 7.79 4.47 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 206 G 10.39 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 0.00 0.00 0.00 207 T 8.60 3.58 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 0.00 208 H 7.56 4.79 0.00 3.13 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 Q 8.60 3.94 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 210 I 8.17 4.58 1.91 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 1.34 0.91 0.97 0.00 0.00 211 D 8.78 4.62 0.00 2.48 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 0.00 212 W 9.11 5.39 0.00 3.32 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 0.00 213 L 8.62 5.01 0.00 1.70 1.65 1.31 0.63 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 0.00 214 V 8.43 4.56 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.88 0.00 0.00 215 S 8.64 4.50 0.00 3.75 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 0.00 216 G 8.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.96 4.31 0.00 4.07 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 0.00 218 A 8.18 3.98 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 0.00 219 L 7.38 3.76 0.00 1.40 1.36 0.61 0.33 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 0.00 220 F 7.93 4.52 0.00 3.14 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 0.00 221 S 7.96 4.31 0.00 3.88 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 0.00 222 G 8.57 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 0.00 223 E 8.40 4.09 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 2.42 2.33 0.00 224 L 8.73 3.83 0.00 1.77 1.73 0.38 0.82 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 0.00 225 K 8.09 3.93 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.56 7.81 226 T 7.77 3.87 4.42 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 1.22 0.00 0.00 227 N 8.41 4.43 0.00 2.67 2.79 0.00 0.00 7.10 7.58 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 0.00 228 L 8.34 4.07 0.00 1.67 1.77 0.90 0.80 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 0.00 229 K 7.95 3.97 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 230 V 7.80 3.59 2.28 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 1.04 0.00 0.00 1.02 0.00 0.00 231 W 8.47 4.22 0.00 3.41 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 K 8.26 3.78 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.82 7.81 233 S 7.75 4.28 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 0.00 234 S 7.71 4.26 0.00 4.02 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 0.00 235 I 7.13 3.80 0.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.29 0.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.