NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.3044 8.4401 116.7583 55.4272 31.4828 175.4596 0 A 4.1638 8.3553 125.2575 50.6477 19.1715 175.8226 1 D 4.5204 9.2970 121.0953 54.6247 42.3906 175.0979 2 I 3.9967 8.2818 124.1818 61.3104 37.9822 175.3301 3 V 4.3675 8.7117 127.3507 61.2669 33.5808 174.2080 4 L 5.1637 8.5387 127.1282 53.3176 44.5380 175.1467 5 T 4.7017 9.1796 121.0523 61.9069 71.2325 173.1087 6 Q 5.7684 9.0392 125.3746 53.6920 31.5107 174.7906 7 T 5.0169 8.3159 112.2231 59.1348 72.6402 172.0216 8 P 4.8224 0.0000 0.0000 62.1471 32.7516 176.2222 9 S 4.4671 8.6784 113.5425 61.0112 63.1745 173.7861 10 S 5.1361 7.8945 111.1867 56.7195 66.4511 174.3325 11 L 4.6667 9.1617 121.2591 52.5549 44.7639 173.6204 12 P 4.9895 0.0000 0.0000 62.0508 32.2910 175.5802 13 V 4.7093 9.0976 117.5905 59.6888 36.6724 174.5187 14 S 5.2891 8.8259 116.5698 56.3167 66.1183 174.6370 15 V 3.7995 8.0713 122.0408 65.1171 31.4912 176.7060 16 G 3.9611 9.0758 116.1481 44.3318 0.0000 173.2372 17 E 4.1992 7.9110 121.0869 55.7669 31.1557 175.0920 18 K 4.7786 8.4062 126.1744 55.3037 33.4688 175.9340 19 V 4.5768 8.3954 120.0854 59.8826 35.3324 174.7916 20 T 5.1348 8.2617 118.6896 62.0968 72.3660 173.1302 21 M 5.0537 8.8328 121.9036 53.7902 35.4319 174.0783 22 T 5.3943 9.0877 110.2823 60.3090 72.7334 172.3465 23 C 5.2112 9.6031 122.6624 55.1395 43.8736 172.2874 24 K 5.2024 9.3737 128.9306 54.9396 32.5168 174.6992 25 S 5.2783 8.9700 123.0641 56.8504 63.6662 174.9565 26 S 4.3214 9.0228 121.9487 60.4791 63.2805 174.3768 27 Q 4.5955 7.4786 117.2509 53.7018 32.3669 174.8768 28 T 4.1420 8.5186 115.5005 62.8983 68.0405 173.6317 29 L 4.6055 8.9590 126.5410 54.4054 43.3758 175.3974 30 L 4.9132 7.8330 122.5451 54.5898 42.7941 175.4247 31 Y 4.7836 9.1715 129.4408 56.5047 39.1766 176.3327 32 S 4.3694 9.0032 121.9123 60.7357 63.4448 175.1250 33 N 4.1219 7.2996 118.7828 55.6154 38.4868 174.6730 34 N 4.8208 7.1880 110.2402 51.3452 38.4871 173.7611 35 Q 3.6044 8.2843 117.2483 57.1412 27.2521 172.7182 36 K 4.7751 8.3518 116.1175 55.0910 34.9529 175.3051 37 N 5.3846 8.9433 120.8671 52.0319 40.4565 175.2628 38 Y 3.7136 8.4501 125.4866 56.0946 36.2080 174.5338 39 L 4.6237 6.6971 121.4123 52.9943 46.3380 175.3997 40 A 4.9694 8.7216 126.7485 49.7990 23.2229 174.4492 41 W 5.0787 8.6698 119.1135 55.0818 32.1019 174.6147 42 Y 5.1196 9.6040 122.2738 56.1646 41.0423 174.3808 43 Q 4.4538 9.1423 124.1181 54.2351 31.8945 173.9198 44 Q 4.5678 8.6708 128.7385 54.0776 30.8505 174.9305 45 K 4.6391 8.2726 126.0895 54.9874 33.9152 175.1725 46 P 4.2374 0.0000 0.0000 64.1516 31.6166 176.7740 47 G 3.9772 8.9626 109.8458 46.2724 0.0000 172.8229 48 Q 4.6752 7.6633 116.7619 53.3531 32.6828 175.1665 49 S 4.3736 8.3660 114.0166 57.3324 64.1192 172.3374 50 P 4.2309 0.0000 0.0000 62.7848 31.8347 175.7521 51 K 4.6460 8.6246 120.6055 54.2405 36.3020 175.4233 52 L 4.0930 8.5994 125.7351 55.5264 42.2967 175.9894 53 L 4.2943 8.7312 126.5583 56.4105 43.2294 176.6523 54 I 5.1334 7.2964 118.2531 59.6535 41.9231 174.3349 55 S 4.8312 8.6389 119.5605 56.4600 65.9464 173.4608 56 W 4.3829 8.9153 116.0612 56.8267 26.9416 176.1173 57 A 4.3454 8.4886 126.9682 52.6012 17.8597 180.2095 58 F 5.1758 7.4710 104.6783 55.1023 39.5747 174.6109 59 T 4.2122 7.5762 119.8487 62.6785 68.9885 174.4568 60 R 4.4439 8.5636 126.5669 55.6110 31.0708 176.9171 61 K 4.0379 8.8229 125.4526 56.1888 33.5141 176.1976 62 S 4.3634 8.5759 121.5775 59.8909 62.7499 174.1221 63 G 4.0222 8.9764 116.1018 45.2582 0.0000 173.7175 64 V 3.7408 7.3330 119.9619 61.5864 32.3559 174.1015 65 P 4.5012 0.0000 0.0000 62.6773 31.8823 176.8838 66 D 4.4954 8.9196 121.4123 57.6313 40.9799 178.4401 67 R 3.9348 7.9382 113.9536 57.5700 29.8524 175.4827 68 F 4.9515 7.8451 118.4600 56.8661 39.9360 175.4338 69 T 4.6154 9.1886 121.0071 61.6715 72.0230 173.2189 70 G 4.5981 8.9912 113.4031 44.2524 0.0000 172.4642 71 S 4.7820 9.2454 117.0934 57.1881 67.2337 172.2878 72 G 3.9851 9.2502 105.6700 45.0024 0.0000 172.5684 73 S 4.6270 8.2730 110.9193 57.9617 67.0484 176.7811 74 G 3.9100 9.9182 117.7876 46.4513 0.0000 174.6825 75 T 4.6661 8.7421 114.2571 61.1281 72.0360 174.6498 76 D 5.0691 7.5450 122.5519 52.6256 43.9588 174.3312 77 F 5.6230 9.1898 124.2022 56.0239 43.7246 174.1002 78 T 5.3602 9.3178 110.9881 60.0084 72.6401 172.1972 79 L 4.6640 8.2546 125.5349 53.3874 44.5645 174.9849 80 T 4.9715 8.7079 122.8522 61.6923 72.0201 173.1781 81 I 4.4278 8.2020 126.5216 59.2303 38.8721 176.6061 82 G 3.5331 8.6843 116.6070 49.3195 0.0000 172.8904 83 S 4.5372 7.4640 114.5694 57.3576 64.3151 174.2711 84 V 3.9576 8.6661 121.7076 61.2164 32.6645 175.7508 85 K 4.8934 9.0708 122.6218 54.1681 35.4672 177.1842 86 A 3.9717 8.7570 124.6409 55.3727 18.3773 179.7954 87 E 4.1542 8.1206 112.1865 58.7723 29.7390 177.3688 88 D 4.7144 8.1037 118.5494 54.7206 41.2409 176.0804 89 L 4.0247 7.8352 122.1931 55.9625 42.2897 175.6449 90 A 4.3013 7.9437 125.5088 51.8220 23.6521 174.3865 91 V 4.4639 7.7074 119.2498 61.8634 33.5056 174.1657 92 Y 4.9205 8.6995 125.6421 56.6145 40.1318 174.0865 93 Y 5.3539 9.2422 123.0663 56.3112 40.7795 173.3254 94 C 4.4397 8.8427 118.5183 55.0335 43.3837 172.2756 95 Q 4.7149 8.0993 120.0997 55.0059 32.1634 172.6973 96 Q 4.6481 8.6542 125.3789 53.9679 31.1608 175.3948 97 Y 2.9122 6.9196 121.2176 56.5294 37.7888 177.3839 98 S 3.7924 7.8878 115.8156 61.5762 62.8715 173.7130 99 N 4.8896 7.3795 114.4174 51.2354 42.3199 173.8625 100 Y 4.4579 8.0630 119.3707 57.2082 38.7236 174.2127 101 P 4.7543 0.0000 0.0000 62.1108 32.4927 176.1688 102 W 4.6614 7.2754 120.6474 57.2669 29.5406 175.4234 103 T 5.0521 8.4588 112.0492 60.1322 72.1737 172.5402 104 F 5.1767 8.9834 120.1456 55.5290 42.2154 175.5440 105 G 4.1308 9.0661 109.9165 45.5887 0.0000 174.0699 106 G 4.0343 8.9012 107.5872 45.7718 0.0000 175.1416 107 G 3.9198 8.3945 104.0399 45.4887 0.0000 172.8729 108 T 4.7368 8.2506 115.6891 61.3969 71.6093 173.5450 109 R 4.3772 8.9478 128.5677 55.7874 30.9534 174.8678 110 L 4.9938 9.3091 130.4123 53.9977 43.6843 174.7163 111 E 4.9528 9.1010 126.9005 54.7008 31.9466 175.2281 112 I 5.1584 8.3808 124.5241 59.3654 40.3325 174.9693 113 K 4.6068 8.6647 126.1029 55.1047 34.9458 177.8994 114 R 3.9547 8.8562 120.4953 58.6612 30.2480 177.4908 115 G 4.5016 7.7234 108.8218 45.8279 0.0000 173.2716 *135 E 4.2183 7.6862 123.2555 55.4934 31.3168 175.8580 136 V 4.0095 7.2309 118.5525 62.8605 32.0574 175.5818 137 Q 4.6451 8.9659 125.8381 54.1363 33.5818 173.9801 138 L 5.1096 8.5349 121.5158 53.0971 45.2158 175.0632 139 Q 4.7816 9.2030 126.7204 54.6348 30.6705 174.7398 140 Q 5.6890 9.3798 126.2707 53.6658 30.7947 175.9979 141 S 4.3936 7.9175 117.9029 57.9955 64.1364 173.9744 142 G 4.0417 8.5197 108.7761 45.2687 0.0000 171.1982 143 P 4.8460 0.0000 0.0000 62.8305 32.1992 175.7214 144 E 4.7562 9.1959 121.2241 54.5492 33.0526 175.0199 145 V 4.7919 8.4820 123.3252 61.3547 33.5693 174.9162 146 V 4.6399 8.7334 123.2663 59.8339 35.9378 176.2979 147 K 4.5365 8.5164 126.2066 54.8574 33.1794 177.0389 148 T 4.1697 8.4569 118.3415 65.7800 68.7927 174.6516 149 G 3.8907 9.2713 114.3166 45.2776 0.0000 173.4350 150 A 4.4239 7.6727 121.5996 51.5974 20.4754 176.1456 151 S 5.2948 8.4190 113.6399 57.0336 67.0843 173.9666 152 V 4.5845 8.4680 119.5347 60.1558 35.0404 173.7936 153 K 4.8195 8.5722 123.4412 54.9095 34.4296 174.8976 154 I 4.5997 8.6031 129.3717 59.9330 39.2555 175.5329 155 S 5.0774 8.7578 121.3048 57.3890 66.3231 172.9439 156 C 4.7495 8.5494 121.0904 55.6020 43.8003 171.6592 157 K 4.6881 9.2152 128.4154 55.2228 33.0942 174.9884 158 A 5.3555 8.7767 130.3247 50.6687 20.8999 175.9904 159 S 4.3121 8.7216 114.8663 57.6231 67.1141 175.0494 160 G 3.7073 10.6780 107.2889 46.5676 0.0000 172.1416 161 Y 4.5582 6.7902 115.7086 55.8058 40.5390 174.0943 162 S 4.3072 8.7292 114.4920 57.3663 61.4520 173.7387 163 F 3.9289 8.9282 131.2736 61.5156 38.9773 177.5760 164 T 3.7451 7.9848 107.8230 63.7006 68.7252 175.1712 165 G 3.6313 8.0510 110.1127 46.8938 0.0000 172.6776 166 Y 4.6354 7.3614 116.5400 56.0375 43.0217 174.5855 167 F 4.8045 9.0081 119.9782 57.1044 41.1143 174.9057 168 I 4.5907 8.4826 122.8436 59.7866 39.1741 174.8778 169 N 5.0190 9.0132 125.2617 51.8962 40.8121 174.3030 170 W 5.1168 8.4351 120.5837 54.9348 33.1231 174.8220 171 V 4.8272 8.9283 122.5194 61.1962 34.8412 173.6566 172 K 4.6819 9.0591 129.2762 54.7603 34.4300 174.8766 173 K 4.7640 9.0151 127.9212 54.7621 35.5979 174.4277 174 N 5.2576 8.1590 123.8220 52.0545 41.6027 176.5600 175 S 3.9066 8.0709 117.8614 60.9554 63.5099 175.6759 176 G 4.2332 8.0197 105.7882 44.8628 0.0000 171.9768 177 K 4.7537 7.8918 117.8449 53.5560 35.4023 176.4229 178 S 4.2433 8.5124 116.3610 58.3870 63.3138 172.6052 179 P 4.3398 0.0000 0.0000 62.7073 31.9554 175.3828 180 E 4.8853 8.9396 122.4515 54.2656 32.5159 175.0235 181 W 4.7505 9.2836 135.0000 57.2615 30.8476 175.8652 182 I 3.4270 8.6086 129.9649 62.2717 37.9781 177.0604 183 G 2.6254 5.3800 108.0899 44.1944 0.0000 170.0251 184 H 5.1119 7.7048 114.2630 53.9969 32.6112 172.1754 185 I 5.0631 8.4903 118.7401 59.0462 41.5186 174.2381 186 S 4.1668 9.0355 124.2719 58.3025 62.6214 175.1076 187 S 4.0484 8.1515 123.7396 61.0219 62.5669 176.0181 188 S 4.0538 7.5660 113.6371 60.3105 61.8963 174.6357 189 Y 4.6048 7.5384 116.9288 56.6499 38.5986 175.9919 190 A 4.0815 7.9972 121.6599 53.2651 16.9674 176.7121 191 T 4.8259 7.3636 107.8903 61.7871 71.3629 173.6178 192 S 5.3261 8.7089 118.7517 57.1131 66.9075 173.3087 193 T 4.5012 8.5094 118.2236 61.9696 71.3132 172.7728 194 Y 4.9094 8.3505 123.1389 55.6896 41.0737 175.0910 195 N 4.6381 8.8385 122.3139 53.6181 39.6106 175.7773 196 Q 4.0115 9.2090 126.8689 59.1973 29.4104 178.5952 197 K 3.8108 8.7298 116.9282 58.5402 32.1789 177.4701 198 F 4.7129 8.2390 115.3182 56.6746 40.0002 177.0378 199 K 3.3442 7.7147 122.6329 59.0578 31.9093 177.0917 200 N 4.4912 7.8454 113.1070 53.3630 39.4992 175.3337 201 K 4.1395 8.1483 119.7588 56.8534 33.2613 175.5932 202 A 5.1355 7.4919 118.0163 49.8506 21.9664 175.8773 203 A 4.2837 8.3691 121.5154 50.3569 22.2614 175.3856 204 F 5.5109 8.7889 122.4439 57.1116 40.5608 175.5709 205 T 5.0245 9.0434 111.4409 60.4042 72.7100 172.8604 206 V 5.1650 8.5380 113.8788 59.7929 36.1423 175.1269 207 D 4.8018 9.5402 122.9933 52.8377 42.7884 176.5307 208 T 4.0119 8.7501 124.4805 66.5637 68.8423 177.2984 209 S 4.1179 7.9113 115.2150 60.3637 63.2093 175.0157 210 S 4.4197 8.0479 112.7110 56.9128 63.6597 173.7684 211 S 2.0000 7.0125 116.5522 59.7947 60.8656 171.9632 212 T 4.8770 7.2119 114.6072 61.6185 72.4919 174.3939 213 A 5.3269 8.9504 127.8195 50.4188 22.0767 175.5747 214 F 5.5775 9.4993 118.5263 55.9240 43.6978 173.8058 215 M 4.8569 8.6120 121.1783 53.7095 35.0850 173.6876 216 Q 4.7423 8.8708 128.1481 54.8160 31.1650 173.9161 217 L 5.2396 8.6539 127.0250 52.9527 43.9652 175.4068 218 N 5.2739 8.2948 120.3348 49.7287 40.3621 174.0395 219 S 3.6706 8.4153 112.3004 59.4874 60.6408 173.4669 220 L 4.3036 7.9112 120.1588 55.1138 42.4512 177.3038 221 T 4.9502 8.7322 112.3923 59.2360 72.0907 174.9015 222 S 4.2298 8.4960 114.7101 61.2124 63.0595 176.3434 223 E 4.0940 7.6725 118.6732 58.9851 29.2332 177.6983 224 D 4.6971 7.9425 117.3280 55.8563 41.2963 176.8280 225 S 4.5389 7.7889 115.6630 59.1450 63.3039 173.7522 226 A 4.2191 8.4391 125.4445 51.7561 23.5467 174.3140 227 D 4.9946 8.0563 118.9911 53.9722 42.5280 175.8613 228 Y 5.2187 8.9196 120.3234 56.4125 41.4652 174.2223 229 Y 5.3008 9.3646 121.4764 56.2955 41.5618 172.4858 230 C 4.0457 8.6967 117.6816 54.2129 42.4839 172.8456 231 V 4.4523 7.8826 120.6840 61.3353 34.7285 173.9998 232 R 4.7226 8.9058 129.2574 56.3541 31.4862 175.1304 233 S 5.0137 8.8911 117.9415 56.8896 66.7679 172.8053 234 G 4.2120 9.2520 111.8183 45.2840 0.0000 171.8088 235 N 5.1898 8.2668 119.4346 52.3024 43.2592 176.1479 236 Y 3.6770 7.7312 118.2128 59.0851 36.8199 173.4364 237 E 4.1678 9.5213 127.6954 60.3237 29.4259 177.0119 238 E 4.6888 8.5232 117.2506 56.3826 29.7952 177.5811 239 Y 4.5003 8.3824 122.3977 59.9036 39.0286 176.7463 240 A 2.8871 6.9379 120.9028 50.8084 19.0803 176.7795 241 M 4.1279 7.9229 120.3205 56.0524 31.8946 174.5719 242 D 4.7196 8.5039 122.6254 53.9825 41.2616 175.3136 243 Y 4.7514 7.5272 115.5087 55.5174 40.0076 174.1466 244 W 5.0740 9.0783 123.7333 54.8561 31.6178 176.2142 245 G 4.2840 8.8597 111.3791 45.6236 0.0000 173.7277 246 Q 4.3042 8.7839 116.9769 57.1014 29.1501 177.3332 247 G 3.3806 9.0777 104.4400 45.5059 0.0000 172.9643 248 T 4.5341 8.3229 116.1886 61.4524 72.4618 173.3498 249 S 4.8445 8.7499 122.3224 58.0722 64.1003 172.6974 250 V 4.8383 9.2063 127.1790 61.4531 34.4206 174.0067 251 T 4.8868 9.0245 124.9435 61.7752 71.2541 173.3107 252 V 4.7190 8.7493 128.1739 61.5809 32.3050 175.8558 253 S 4.4890 8.6478 122.6441 58.4465 62.7894 174.1428 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 E 8.44 4.30 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.89 0.00 0 A 8.36 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 D 9.30 4.52 0.00 2.72 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 2 I 8.28 4.00 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.46 0.88 0.00 0.00 3 V 8.71 4.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 4 L 8.54 5.16 0.00 1.70 1.51 0.80 0.61 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 5 T 9.18 4.70 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 6 Q 9.04 5.77 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.24 0.00 7 T 8.32 5.02 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 1.26 0.00 0.00 8 P 0.00 4.82 0.00 2.37 2.12 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 9 S 8.68 4.47 0.00 3.97 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 10 S 7.89 5.14 0.00 3.86 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 11 L 9.16 4.67 0.00 1.52 1.58 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.99 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 13 V 9.10 4.71 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 14 S 8.83 5.29 0.00 3.74 3.71 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 15 V 8.07 3.80 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 0.72 0.00 0.00 0.98 0.00 0.00 16 G 9.08 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 17 E 7.91 4.20 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 18 K 8.41 4.78 0.00 1.85 1.63 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.52 7.81 19 V 8.40 4.58 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 0.59 0.00 0.00 0.73 0.00 0.00 20 T 8.26 5.13 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 1.16 0.00 0.00 21 M 8.83 5.05 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 22 T 9.09 5.39 4.36 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 1.27 0.00 0.00 23 C 9.60 5.21 0.00 2.87 3.04 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 24 K 9.37 5.20 0.00 1.88 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.52 7.81 25 S 8.97 5.28 0.00 4.03 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 26 S 9.02 4.32 0.00 3.93 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 27 Q 7.48 4.60 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 28 T 8.52 4.14 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 1.24 0.00 0.00 29 L 8.96 4.61 0.00 1.71 1.53 0.59 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.83 4.91 0.00 1.93 1.68 1.07 1.13 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 31 Y 9.17 4.78 0.00 2.93 3.17 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 32 S 9.00 4.37 0.00 3.97 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 33 N 7.30 4.12 0.00 1.44 2.05 0.00 0.00 6.74 7.79 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 34 N 7.19 4.82 0.00 2.75 2.78 0.00 0.00 6.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.28 3.60 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 36 K 8.35 4.78 0.00 2.08 1.78 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.19 1.51 7.81 37 N 8.94 5.38 0.00 2.95 2.98 0.00 0.00 7.02 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 38 Y 8.45 3.71 0.00 2.52 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 6.70 4.62 0.00 0.81 0.77 0.24 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.72 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.67 5.08 0.00 3.15 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 42 Y 9.60 5.12 0.00 3.04 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 9.14 4.45 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 1.88 1.45 0.00 44 Q 8.67 4.57 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 45 K 8.27 4.64 0.00 1.70 1.67 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.59 1.37 7.81 46 P 0.00 4.24 0.00 2.03 2.00 0.00 3.78 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 2.02 2.08 0.00 47 G 8.96 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 48 Q 7.66 4.68 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 49 S 8.37 4.37 0.00 3.90 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 50 P 0.00 4.23 0.00 0.49 1.07 0.00 2.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 51 K 8.62 4.65 0.00 1.51 1.56 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.26 7.81 52 L 8.60 4.09 0.00 1.73 1.44 0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.73 4.29 0.00 1.67 1.46 0.79 -0.01 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 54 I 7.30 5.13 2.00 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 1.43 0.69 1.04 0.00 0.00 55 S 8.64 4.83 0.00 3.21 3.51 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 0.00 0.00 0.00 0.00 56 W 8.92 4.38 0.00 3.13 3.05 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 57 A 8.49 4.35 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 0.00 0.00 0.00 0.00 0.00 58 F 7.47 5.18 0.00 3.21 3.26 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 59 T 7.58 4.21 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 1.20 0.00 0.00 60 R 8.56 4.44 0.00 1.73 1.88 0.00 3.50 0.00 0.00 3.53 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 61 K 8.82 4.04 0.00 1.71 1.57 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.31 7.81 62 S 8.58 4.36 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.33 3.74 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 0.61 0.00 0.00 0.86 0.00 0.00 65 P 0.00 4.50 0.00 2.50 2.07 0.00 3.82 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 2.40 2.24 0.00 66 D 8.92 4.50 0.00 2.68 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 67 R 7.94 3.93 0.00 1.74 2.05 0.00 2.83 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 0.00 68 F 7.85 4.95 0.00 3.06 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 69 T 9.19 4.62 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 70 G 8.99 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.25 4.78 0.00 3.93 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 72 G 9.25 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 73 S 8.27 4.63 0.00 3.86 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 74 G 9.92 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 75 T 8.74 4.67 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 1.26 0.00 0.00 76 D 7.55 5.07 0.00 2.62 2.35 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 77 F 9.19 5.62 0.00 3.23 3.17 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 78 T 9.32 5.36 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 1.28 0.00 0.00 79 L 8.25 4.66 0.00 0.27 0.22 0.51 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.71 4.97 4.13 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 1.16 0.00 0.00 81 I 8.20 4.43 1.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.63 0.26 0.00 0.00 82 G 8.68 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.46 4.54 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.67 3.96 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 0.59 0.00 0.00 0.96 0.00 0.00 85 K 9.07 4.89 0.00 1.68 1.67 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.33 7.81 86 A 8.76 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.12 4.15 0.00 2.13 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 0.00 2.32 2.41 0.00 88 D 8.10 4.71 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.84 4.02 0.00 1.64 1.80 0.98 1.02 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 90 A 7.94 4.30 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 91 V 7.71 4.46 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 0.33 0.00 0.00 0.87 0.00 0.00 92 Y 8.70 4.92 0.00 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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 P 0.00 4.75 0.00 2.59 2.45 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 102 W 7.28 4.66 0.00 1.78 2.45 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 0.00 103 T 8.46 5.05 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 1.38 0.00 0.00 104 F 8.98 5.18 0.00 2.99 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 0.00 105 G 9.07 4.13 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 0.00 0.00 0.00 106 G 8.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.39 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 0.00 108 T 8.25 4.74 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 1.26 0.00 0.00 109 R 8.95 4.38 0.00 1.90 1.83 0.00 3.09 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 110 L 9.31 4.99 0.00 1.93 1.89 0.94 0.86 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 0.00 111 E 9.10 4.95 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 2.42 0.00 112 I 8.38 5.16 1.89 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 1.40 0.63 0.91 0.00 0.00 113 K 8.66 4.61 0.00 1.83 1.90 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.38 7.81 114 R 8.86 3.95 0.00 1.82 2.03 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 115 G 7.72 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 E 7.69 4.22 0.00 2.05 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 2.26 2.34 0.00 136 V 7.23 4.01 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 0.34 0.00 0.00 0.46 0.00 0.00 137 Q 8.97 4.65 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 138 L 8.53 5.11 0.00 1.56 1.49 0.93 0.74 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 0.00 139 Q 9.20 4.78 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 140 Q 9.38 5.69 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 141 S 7.92 4.39 0.00 3.97 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 0.00 142 G 8.52 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 0.00 0.00 0.00 143 P 0.00 4.85 0.00 2.10 2.08 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 144 E 9.20 4.76 0.00 1.88 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 2.39 2.36 0.00 145 V 8.48 4.79 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 0.82 0.00 0.00 0.94 0.00 0.00 146 V 8.73 4.64 2.07 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 0.63 0.00 0.00 0.93 0.00 0.00 147 K 8.52 4.54 0.00 1.45 1.68 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.04 7.81 148 T 8.46 4.17 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 1.23 0.00 0.00 149 G 9.27 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 0.00 150 A 7.67 4.42 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 0.00 151 S 8.42 5.29 0.00 3.69 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.47 4.58 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 0.63 0.00 0.00 0.90 0.00 0.00 153 K 8.57 4.82 0.00 1.68 1.69 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.39 7.81 154 I 8.60 4.60 1.76 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 1.28 0.48 1.14 0.00 0.00 155 S 8.76 5.08 0.00 3.61 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 8.55 4.75 0.00 2.92 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 0.00 157 K 9.22 4.69 0.00 1.79 1.74 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 1.34 7.81 158 A 8.78 5.36 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 0.00 159 S 8.72 4.31 0.00 3.80 3.83 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 0.00 160 G 10.68 3.71 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 0.00 0.00 0.00 161 Y 6.79 4.56 0.00 2.99 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 0.00 162 S 8.73 4.31 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.93 3.93 0.00 2.84 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 0.00 164 T 7.98 3.75 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 1.27 0.00 0.00 165 G 8.05 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 7.36 4.64 0.00 2.85 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 0.00 167 F 9.01 4.80 0.00 2.95 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 0.00 168 I 8.48 4.59 1.77 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 1.08 0.98 0.41 0.00 0.00 169 N 9.01 5.02 0.00 2.59 2.77 0.00 0.00 6.33 8.32 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 0.00 170 W 8.44 5.12 0.00 3.01 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 0.00 171 V 8.93 4.83 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 1.01 0.00 0.00 0.87 0.00 0.00 172 K 9.06 4.68 0.00 1.76 1.57 0.00 1.95 0.00 0.00 2.04 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 0.84 7.81 173 K 9.02 4.76 0.00 1.84 1.71 0.00 1.41 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.43 7.81 174 N 8.16 5.26 0.00 2.64 2.66 0.00 0.00 6.78 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 0.00 175 S 8.07 3.91 0.00 3.86 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 0.00 176 G 8.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.89 4.75 0.00 1.75 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.53 7.81 178 S 8.51 4.24 0.00 3.96 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 0.00 179 P 0.00 4.34 0.00 0.49 1.22 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.10 0.00 180 E 8.94 4.89 0.00 1.99 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 2.39 2.32 0.00 181 W 9.28 4.75 0.00 3.62 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.61 3.43 1.88 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 -0.27 0.01 0.84 0.00 0.00 183 G 5.38 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 0.00 0.00 0.00 184 H 7.70 5.11 0.00 3.17 3.29 0.00 5.40 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 0.00 185 I 8.49 5.06 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.99 0.99 0.00 0.00 186 S 9.04 4.17 0.00 3.95 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 0.00 187 S 8.15 4.05 0.00 3.47 2.99 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 0.00 188 S 7.57 4.05 0.00 3.29 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 0.00 189 Y 7.54 4.60 0.00 3.12 2.99 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 0.00 190 A 8.00 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 7.36 4.83 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 1.37 0.00 0.00 192 S 8.71 5.33 0.00 3.65 3.30 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 0.00 193 T 8.51 4.50 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 0.45 0.00 0.00 194 Y 8.35 4.91 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 0.00 195 N 8.84 4.64 0.00 3.16 3.10 0.00 0.00 6.85 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 0.00 196 Q 9.21 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 197 K 8.73 3.81 0.00 1.53 1.39 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.61 7.81 198 F 8.24 4.71 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 7.71 3.34 0.00 1.64 1.73 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.16 1.21 7.81 200 N 7.85 4.49 0.00 2.65 2.74 0.00 0.00 6.76 7.61 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 0.00 201 K 8.15 4.14 0.00 1.80 2.02 0.00 1.47 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.46 7.81 202 A 7.49 5.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 A 8.37 4.28 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 F 8.79 5.51 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 9.04 5.02 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 206 V 8.54 5.17 2.45 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 0.88 0.00 0.00 1.07 0.00 0.00 207 D 9.54 4.80 0.00 2.92 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 0.00 208 T 8.75 4.01 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 1.27 0.00 0.00 209 S 7.91 4.12 0.00 3.95 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 0.00 210 S 8.05 4.42 0.00 3.91 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 0.00 211 S 7.01 2.00 0.00 3.57 3.41 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 0.00 212 T 7.21 4.88 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 213 A 8.95 5.33 1.41 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 0.00 0.00 0.00 214 F 9.50 5.58 0.00 3.00 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 0.00 215 M 8.61 4.86 0.00 0.54 0.57 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 216 Q 8.87 4.74 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 217 L 8.65 5.24 0.00 1.42 1.40 0.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.29 5.27 0.00 2.65 2.68 0.00 0.00 7.03 7.43 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 0.00 219 S 8.42 3.67 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 L 7.91 4.30 0.00 1.81 1.59 0.97 0.44 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 0.00 221 T 8.73 4.95 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 1.25 0.00 0.00 222 S 8.50 4.23 0.00 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 E 7.67 4.09 0.00 2.03 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 2.35 2.34 0.00 224 D 7.94 4.70 0.00 2.92 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 0.00 225 S 7.79 4.54 0.00 3.92 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 A 8.44 4.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 D 8.06 4.99 0.00 2.70 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 0.00 228 Y 8.92 5.22 0.00 2.96 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 0.00 229 Y 9.36 5.30 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 C 8.70 4.05 0.00 1.88 1.18 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 0.00 231 V 7.88 4.45 1.44 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 -0.49 0.00 0.00 -0.39 0.00 0.00 232 R 8.91 4.72 0.00 1.74 1.79 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 233 S 8.89 5.01 0.00 4.06 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 0.00 234 G 9.25 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 N 8.27 5.19 0.00 2.19 1.42 0.00 0.00 6.86 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 0.00 236 Y 7.73 3.68 0.00 3.26 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 0.00 0.00 0.00 0.00 237 E 9.52 4.17 0.00 2.08 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 0.00 2.27 2.31 0.00 238 E 8.52 4.69 0.00 2.29 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 0.00 2.39 2.38 0.00 239 Y 8.38 4.50 0.00 3.32 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 A 6.94 2.89 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 M 7.92 4.13 0.00 1.72 1.90 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 2.69 2.58 0.00 242 D 8.50 4.72 0.00 2.04 2.46 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 0.00 243 Y 7.53 4.75 0.00 2.92 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 0.00 244 W 9.08 5.07 0.00 3.13 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 0.00 245 G 8.86 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 0.00 246 Q 8.78 4.30 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 247 G 9.08 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 T 8.32 4.53 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 1.37 0.00 0.00 249 S 8.75 4.84 0.00 3.98 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 0.00 250 V 9.21 4.84 2.37 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 0.97 0.00 0.00 0.99 0.00 0.00 251 T 9.02 4.89 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 1.23 0.00 0.00 252 V 8.75 4.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.03 0.00 0.00 253 S 8.65 4.49 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.