NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6665 8.3229 119.5580 52.8208 42.7429 178.0360 4 L 4.0184 8.0252 121.1413 59.7910 40.8095 183.6977 5 K 4.2430 8.3062 125.5648 60.1836 32.1617 181.4446 6 K 4.0772 8.0373 124.7551 59.6658 31.6287 180.7133 7 I 3.9999 7.7622 121.1982 64.4180 37.0352 178.2237 8 E 3.9626 8.2524 119.2402 59.5836 29.2959 179.5901 9 S 3.9208 8.0012 112.8302 61.7018 62.5048 175.9321 10 Y 3.9474 7.8271 119.3267 60.8684 37.4486 178.4143 11 L 3.9522 8.5605 120.3962 57.6771 41.6800 179.1626 12 D 4.2877 8.2253 118.9814 57.5284 40.6145 179.1436 13 K 3.8903 7.6923 117.2343 59.2255 32.0398 178.8174 14 L 4.1985 8.1950 117.2602 54.6762 41.9726 176.8573 15 R 3.7517 7.7169 116.8745 57.3372 27.5802 177.1805 16 I 3.9958 7.7907 120.5438 59.9985 36.7409 176.0671 17 K 4.4807 8.4516 125.4190 54.5345 33.7065 178.1132 18 E 3.9717 8.8492 120.8696 59.6439 29.3761 179.1150 19 K 4.1786 7.8790 115.3509 58.8702 33.5952 176.8881 20 D 4.6640 7.9168 122.0988 54.3073 41.1416 176.6404 21 G 3.8446 7.6893 110.6618 47.6264 0.0000 175.7685 22 E 4.3407 8.6547 122.0386 56.6261 29.4163 177.4891 23 E 4.1550 8.0148 119.9783 59.7869 29.6693 179.1283 24 R 3.9905 8.0503 117.8070 59.5223 30.0325 178.5374 25 K 4.0692 8.0579 117.7568 59.3469 32.0488 179.3600 26 I 3.8043 7.8905 119.9735 64.6650 37.1632 177.7140 27 Y 4.1601 8.7907 117.7556 61.5239 37.5664 179.1540 28 A 4.1296 8.1823 119.7006 54.6088 18.4672 178.7514 29 E 4.1959 7.8003 117.2999 59.0519 30.1187 178.5621 30 V 3.8913 8.1771 111.5583 62.3291 31.9214 176.3054 31 L 4.6640 7.5034 117.8224 53.2591 43.7576 174.9381 32 D 5.1891 8.1261 118.9768 50.8583 43.6757 176.8331 33 G 3.8294 8.6420 105.7382 48.1774 0.0000 175.9324 34 R 4.0001 7.9884 118.1192 59.0360 29.6342 178.5939 35 T 3.8743 8.1484 116.5323 66.7909 68.5019 176.4757 36 L 3.8842 7.8168 120.4136 57.2520 41.4404 179.4558 37 K 3.0304 7.4584 119.9813 59.3951 32.0302 178.8170 38 T 3.7766 7.7856 109.8603 64.9012 68.5759 176.2123 39 L 3.9421 7.9326 122.0378 57.6934 41.6181 178.9914 40 Y 4.2931 8.3430 119.7665 60.3786 38.6801 177.7108 41 K 3.8750 8.3129 121.1598 59.2978 32.3943 178.8510 42 L 4.1102 8.1798 119.5315 57.6680 41.3742 179.7545 43 S 4.5415 8.5391 116.3098 61.1716 62.6470 176.2013 44 A 3.8142 7.5415 121.9723 55.3675 18.1416 179.3981 45 K 4.0892 7.9181 114.2092 57.5013 32.3219 178.3015 46 G 3.9052 8.0697 108.2042 45.0548 0.0000 174.3402 47 Y 4.4782 7.9896 117.6050 60.3059 39.1057 175.9150 48 I 4.5578 7.8071 120.1834 60.4726 38.6406 176.5177 49 T 4.1388 9.0248 124.3282 65.7778 69.4319 174.3248 50 A 4.1020 7.4668 123.4557 51.0250 22.8002 173.8618 *52 G 4.1221 8.6840 103.0187 45.9933 0.0000 172.7889 53 G 4.0509 8.5820 110.6413 44.9604 0.0000 172.4467 54 V 4.2574 8.4230 120.6647 62.7978 31.6897 175.3506 55 I 4.3266 8.5920 128.7808 62.9330 38.7373 176.2245 56 S 4.6657 7.3349 114.7087 57.0115 65.9061 172.9071 57 T 4.6439 8.4820 116.1821 59.9770 70.8300 173.1557 58 G 4.2550 8.4467 114.6527 43.3195 0.0000 172.2262 59 K 4.1289 8.6212 117.3606 58.6007 32.4528 177.9721 60 E 4.6477 8.2099 116.8790 57.0605 32.1103 176.0274 61 A 5.0569 7.7292 118.6912 50.2674 23.2675 174.7388 62 N 5.2572 9.0927 116.4625 51.2859 42.8506 173.8826 63 V 4.7712 8.1484 121.8740 61.1209 34.9324 174.3317 64 F 5.2312 9.1573 125.3024 55.6613 43.3550 173.6278 65 Y 4.5543 9.1730 122.8272 57.6654 39.3850 174.5855 66 A 4.7324 6.9507 124.9663 50.3976 22.8143 175.2670 67 D 4.5027 8.8208 120.6198 54.1640 42.7039 176.4283 68 G 4.1286 8.4913 108.2365 45.7706 0.0000 171.0661 69 V 4.9553 8.9757 118.8235 61.1566 35.2705 175.1890 70 F 4.8068 8.7135 128.6707 57.5715 42.3693 173.8027 71 D 3.8833 8.8597 126.4763 55.2548 39.1426 174.3389 72 G 3.9319 8.2959 104.7009 45.0662 0.0000 173.7925 73 K 4.6520 7.6315 118.3779 53.7683 35.5973 173.8813 74 P 4.8576 0.0000 0.0000 63.3330 31.8985 176.0317 75 V 4.7012 8.8505 115.9410 59.6396 36.6720 174.9359 76 A 4.5713 8.5632 124.0624 51.0159 21.1624 175.9381 *78 A 4.5293 8.2263 119.6558 52.1016 19.8769 176.4330 79 V 4.3814 9.1205 123.5058 61.2766 33.5818 174.1909 80 K 4.9408 9.0743 130.5344 54.7252 34.5874 174.8783 81 I 5.0937 8.6759 127.7421 59.7772 40.5137 174.0832 82 Y 4.8111 8.9536 126.0645 57.0732 38.6652 176.1221 83 R 4.0579 8.8690 123.7872 56.6240 31.0933 177.0312 84 I 4.0248 8.2843 124.0715 60.0678 37.1832 175.1486 *93 D 4.7565 8.5014 125.3965 54.1285 42.5415 178.2866 94 E 3.8902 8.2310 114.7469 59.2189 29.3108 177.1812 95 Y 4.5965 7.9636 114.2831 58.4240 38.8901 175.3046 96 L 4.6141 8.4524 122.0506 57.0994 43.4610 176.9658 *97 Y 4.2738 7.7480 116.0353 58.3842 37.2397 177.9382 98 G 3.9178 9.1211 112.2896 44.4827 0.0000 172.8536 99 D 4.7022 8.0893 121.7773 53.3230 40.1869 177.2033 100 E 4.2663 8.6112 123.1550 57.9706 30.1792 176.0407 101 R 3.7924 7.7011 115.9921 58.9531 30.1638 176.5798 102 F 4.6411 7.8615 118.6953 56.3806 39.6770 175.8645 103 D 4.5060 8.8401 125.7421 54.4230 38.4131 172.7261 *109 P 4.3422 0.0000 0.0000 63.1136 33.8454 183.2112 110 K 3.6646 7.6911 116.7950 59.5294 32.6890 179.3993 111 E 3.9107 7.9171 118.3709 59.1940 29.4378 178.7587 112 K 3.7576 7.3650 116.4343 59.8718 32.0120 178.8511 113 V 3.5323 7.2988 117.7082 65.8268 31.4117 178.1118 114 F 4.7880 7.6669 117.1904 60.5711 38.6906 177.6025 115 I 3.6635 8.0637 119.6575 64.0011 36.8887 178.0904 116 W 3.8744 8.0191 129.1694 60.6834 30.2723 177.8265 117 T 3.9595 8.0676 115.6274 66.8757 67.9887 176.0569 118 E 3.0144 7.9930 120.8694 58.6989 29.6048 178.4101 119 K 3.7483 8.3092 120.8224 59.6878 32.0825 178.2692 120 E 3.6750 7.8820 119.2665 58.9742 29.4559 178.3988 121 F 3.9805 8.1108 120.6925 61.5124 39.3866 177.4261 122 R 3.8574 8.4757 117.9845 59.0851 29.7609 178.9449 123 N 4.2451 8.2089 116.4700 56.0983 38.5395 177.1600 124 L 3.8363 8.0719 120.7548 57.9821 41.6701 179.3618 125 E 3.7298 7.8202 118.1921 59.3717 29.4139 179.4230 126 R 3.7851 8.0351 118.3358 59.4443 30.1858 178.3287 127 A 3.9368 8.2613 120.8174 55.1034 18.4852 179.5260 128 K 3.9942 8.3770 118.5795 59.6300 32.0287 178.6759 129 E 3.9421 8.2425 118.7370 58.9712 29.6623 178.0094 130 A 4.2167 7.7371 118.6669 52.6746 18.5084 178.1938 131 G 3.7897 7.6496 105.4118 45.0132 0.0000 173.9922 132 V 3.5330 7.3902 119.5922 62.5963 32.4069 176.5467 133 S 4.2721 8.3194 122.3732 57.7270 61.9546 172.7894 134 V 5.1786 7.7140 118.0231 57.0314 35.6440 173.7209 135 P 4.3919 0.0000 0.0000 62.1947 31.7012 176.5445 136 Q 3.8008 9.0359 124.5002 55.8564 29.2175 174.5085 137 P 4.2337 0.0000 0.0000 62.5104 32.2017 174.2864 138 Y 4.1302 7.9630 117.5906 58.8849 39.8503 175.9600 139 T 4.3920 7.3066 111.1116 61.3977 70.6415 171.4085 140 Y 4.8624 6.7609 119.4728 54.4638 42.0319 174.6450 *142 K 3.6300 8.5859 120.9186 56.8454 32.8496 176.0514 143 N 5.4283 9.2790 126.0458 52.7441 38.9385 173.6765 144 V 4.9061 7.8023 119.7673 61.3353 34.5883 173.7974 145 L 4.9536 9.3693 129.4613 53.3249 45.0302 175.0409 146 L 5.1139 8.9646 125.9587 52.9511 44.9883 175.0324 *148 E 4.3963 8.5058 121.2312 55.9556 30.6285 174.8318 149 F 4.4391 9.1080 129.9391 58.0257 40.3026 174.6251 150 I 3.7614 9.1423 127.4965 60.9010 37.7017 175.7082 151 G 3.7551 7.0276 113.9870 44.6811 0.0000 170.8016 152 E 4.7581 8.3965 119.5809 56.0758 32.9436 175.4246 153 D 4.4926 9.5890 122.1341 55.7190 38.4047 174.3666 154 E 2.7535 8.2120 113.7866 56.3320 27.5459 174.1638 155 L 4.5593 7.8268 122.8066 52.6634 42.8389 173.9564 156 P 4.5031 0.0000 0.0000 62.4947 31.8618 176.1347 157 A 4.2002 8.1974 124.8869 51.6522 18.9347 175.7163 158 P 4.7352 0.0000 0.0000 62.7843 32.6210 176.4645 159 T 4.4075 8.9657 112.7845 60.7734 70.1040 175.6094 160 L 3.8733 8.2773 121.2703 57.9092 41.0616 180.3435 161 V 3.5314 6.9888 111.0550 64.3862 31.4556 178.1361 162 E 4.0713 7.5984 117.4082 59.1429 29.3289 178.8307 163 L 4.0993 7.7397 118.4966 59.1632 42.5755 178.7550 164 G 3.9285 8.3075 107.5134 46.8178 0.0000 175.1778 165 R 4.4674 8.5220 120.2844 56.9952 30.4678 177.4134 166 E 4.0142 8.2423 120.3285 59.1358 29.4552 178.3922 167 L 3.8798 7.8090 119.1778 57.6561 41.3493 179.3755 168 K 4.0988 7.9595 117.2728 58.6786 32.0363 178.0836 169 E 4.4260 7.7731 116.5170 55.8930 30.1329 175.6984 170 L 4.5279 7.3738 119.3181 53.2158 43.8452 177.4149 171 D 4.6211 8.1273 118.7292 53.3854 39.3901 176.1374 172 V 3.6117 7.9514 124.4041 65.3331 31.9211 176.7580 173 E 4.0308 8.2139 118.8326 59.0982 29.5875 178.5166 174 G 3.7858 8.2876 105.8727 48.0886 0.0000 175.4940 175 I 3.6999 8.0008 122.7145 63.9042 37.0939 177.8827 176 F 3.1212 8.4457 121.6832 61.5256 39.0078 177.0434 177 N 4.0122 8.5925 115.9652 55.9963 38.2876 176.7696 178 D 4.2096 8.1322 119.5941 57.3680 41.3180 178.4730 179 V 3.6399 7.7725 118.6849 66.1826 31.4384 178.1063 180 V 3.4074 7.5779 118.1497 65.9142 31.2863 177.5410 181 E 3.8324 8.1442 119.0658 59.3108 29.4088 178.6230 182 N 4.1594 7.9774 116.5855 56.0955 38.4406 177.5919 183 V 3.8346 8.0629 119.7750 65.7896 31.5748 178.0129 184 K 3.9420 8.3427 119.6427 59.6172 32.0276 178.9071 185 R 3.8960 8.0738 118.3373 59.1414 29.9837 178.6933 186 L 3.9571 7.9765 120.0102 58.3663 42.1592 178.4125 187 Y 4.0120 8.2662 119.3263 61.0483 38.6411 177.9251 188 Q 4.1081 8.8592 118.0119 58.2319 29.0116 176.9224 189 E 4.3280 8.3562 118.0032 57.3945 30.7643 176.9445 190 A 4.1700 7.9614 119.1514 51.9636 20.2451 176.3939 191 E 4.1641 7.8942 114.6113 56.1442 27.0068 173.8844 192 L 5.1753 7.9861 115.6815 52.8981 46.3941 176.8537 193 V 4.4619 8.8454 120.8181 61.1554 33.9109 175.4458 194 H 3.7502 9.1134 127.2354 59.6186 29.5803 176.4872 195 A 3.9327 9.6395 118.1089 52.3897 16.9843 177.9787 196 D 4.5708 7.4770 115.5006 52.4897 41.2241 174.9799 197 L 3.8392 8.2747 121.2959 54.2227 42.8717 175.4999 198 S 4.5114 7.7494 119.0796 57.6253 65.4774 175.6544 199 E 3.4949 8.1570 117.2183 58.8827 29.1396 178.3025 200 Y 4.1503 7.6598 116.0714 59.7279 38.3425 175.8506 201 N 5.0130 8.3391 116.7302 52.6363 39.8170 173.4858 202 I 5.1026 7.2158 118.5390 58.3261 40.9538 173.4068 *204 Y 5.0100 8.0461 120.2226 58.2542 39.0685 173.1700 205 I 4.1582 8.0493 126.5144 62.3600 38.9738 176.2204 206 D 4.3085 7.3047 114.3895 52.2129 41.1277 174.6601 207 K 4.6836 6.9288 118.0147 55.6555 35.4683 175.5195 208 V 4.2574 8.6733 113.8548 61.3720 32.1804 175.5420 209 Y 4.8701 8.4932 119.1349 56.3214 41.4942 174.4093 210 F 5.3683 9.5307 122.3370 56.5768 41.0787 175.0345 211 I 4.5474 8.0820 115.6626 59.6123 41.2691 170.0795 212 D 4.4451 8.7244 129.5220 53.7180 41.4839 173.1576 *214 G 3.0227 8.6878 115.1288 45.0286 0.0000 173.3235 215 Q 3.6092 7.3839 115.0447 56.4476 29.3254 176.0279 216 A 4.6588 7.3547 121.0298 52.3250 18.9535 176.6677 217 V 4.9307 8.3715 113.7320 58.5479 36.1861 175.4048 218 T 4.6848 8.5086 118.1717 63.2981 69.5402 175.8757 219 L 4.2059 8.2837 123.4161 56.8158 41.2588 178.8745 220 R 4.0199 8.0581 117.7215 58.6586 30.4444 176.7228 221 H 4.3365 8.2606 118.3575 55.6113 30.1637 173.9188 222 P 4.0658 0.0000 0.0000 63.7437 31.4288 177.0592 *224 A 4.5314 8.1272 122.3450 52.3480 20.4527 179.5757 225 E 4.0630 8.1087 115.8051 59.3016 29.5254 179.0068 226 S 4.1756 7.9008 113.9842 61.7357 63.2351 175.9352 227 Y 4.4868 7.7138 120.1048 60.6939 37.6277 178.1440 228 L 4.1082 8.5688 121.7388 58.3221 42.2214 178.9445 229 E 4.1981 8.4840 118.6004 59.2762 29.3120 179.3899 230 R 3.9765 8.0295 119.0014 59.4548 30.2211 178.1647 231 D 4.3927 8.3327 118.7540 57.5305 40.7956 179.0747 232 V 3.6984 8.1125 118.6240 66.2062 31.4723 178.2831 233 R 4.0935 8.3132 117.8586 59.3156 29.7948 178.7877 234 N 4.4390 8.5443 116.4764 56.3992 38.5520 177.5940 235 I 4.0690 7.9714 121.1299 64.5540 37.2978 178.4548 236 I 3.9060 8.3040 120.9243 64.4510 36.7507 178.1661 237 R 3.9244 8.1726 118.4311 59.5603 30.2005 177.7671 238 F 4.2345 8.5512 120.2254 61.6551 39.4578 177.2163 239 F 4.1984 8.6044 117.0444 59.9165 38.1734 177.7250 240 S 4.2580 8.2995 114.3380 61.3430 62.3084 176.3412 241 K 3.9412 7.5276 119.7528 57.6682 31.8243 177.0858 242 Y 4.3150 7.5992 115.6307 57.4919 38.1765 176.6866 243 G 3.8432 7.8836 108.1372 44.9514 0.0000 174.1983 244 V 3.6603 7.3751 119.6350 61.9579 31.4080 175.2471 245 K 4.2359 8.4065 127.6121 55.3506 32.6200 176.3028 246 A 4.7179 8.1493 125.6421 50.4512 21.8018 174.3254 247 D 5.0110 8.3986 119.8446 52.2491 43.0150 177.3548 248 F 4.3437 9.2295 126.3713 61.5414 39.7687 176.0096 249 E 3.7710 8.4819 120.5973 59.3093 29.7158 178.5605 250 E 4.0546 7.5874 115.9891 57.3466 29.5548 177.7898 *252 L 3.9740 8.0249 120.1040 54.6737 43.8007 178.9771 253 K 3.8195 8.0316 117.9927 59.4044 32.3249 178.7669 254 E 3.8279 8.4034 119.8164 59.3518 29.7411 179.2157 255 V 3.4319 7.6612 116.4117 65.9455 31.5937 176.8520 256 K 3.5387 7.8998 116.0901 56.0332 32.1872 176.7760 257 G 3.8601 7.3855 106.5457 47.1126 0.0000 173.8979 258 E 4.2418 8.3591 123.7489 56.1255 29.8638 176.4739 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 3 D 8.32 4.67 0.00 2.62 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 4 L 8.03 4.02 0.00 1.73 1.71 0.92 0.54 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 5 K 8.31 4.24 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.08 7.81 6 K 8.04 4.08 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.11 7.81 7 I 7.76 4.00 2.06 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 1.59 0.59 0.96 0.00 0.00 8 E 8.25 3.96 0.00 1.96 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 2.51 2.47 0.00 9 S 8.00 3.92 0.00 3.79 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 10 Y 7.83 3.95 0.00 3.20 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 11 L 8.56 3.95 0.00 1.73 1.63 0.97 0.88 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 12 D 8.23 4.29 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.69 3.89 0.00 1.43 1.02 0.00 1.12 0.00 0.00 0.89 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.31 7.81 14 L 8.19 4.20 0.00 1.53 1.62 0.87 1.07 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 15 R 7.72 3.75 0.00 1.96 2.03 0.00 3.16 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 16 I 7.79 4.00 1.57 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.22 0.50 0.00 0.00 17 K 8.45 4.48 0.00 1.95 1.69 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.52 7.81 18 E 8.85 3.97 0.00 1.95 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 2.31 2.26 0.00 19 K 7.88 4.18 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 D 7.92 4.66 0.00 2.90 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 21 G 7.69 3.84 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 0.00 0.00 0.00 22 E 8.65 4.34 0.00 2.12 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 2.48 0.00 23 E 8.01 4.15 0.00 2.28 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 2.62 2.48 0.00 24 R 8.05 3.99 0.00 2.00 1.94 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 25 K 8.06 4.07 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.56 7.81 26 I 7.89 3.80 2.01 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 1.57 0.90 0.95 0.00 0.00 27 Y 8.79 4.16 0.00 2.92 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 28 A 8.18 4.13 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 29 E 7.80 4.20 0.00 1.95 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 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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 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 39 L 7.93 3.94 0.00 1.84 1.76 0.85 0.64 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 40 Y 8.34 4.29 0.00 2.94 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 41 K 8.31 3.88 0.00 1.83 1.88 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 42 L 8.18 4.11 0.00 1.91 1.76 0.87 0.55 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 43 S 8.54 4.54 0.00 3.94 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 44 A 7.54 3.81 1.13 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 45 K 7.92 4.09 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.74 7.81 46 G 8.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.10 0.00 0.00 0.00 0.00 1.15 1.41 7.81 120 E 7.88 3.68 0.00 1.85 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 2.28 2.26 0.00 121 F 8.11 3.98 0.00 3.02 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 0.00 122 R 8.48 3.86 0.00 1.96 1.99 0.00 3.31 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 123 N 8.21 4.25 0.00 2.79 2.75 0.00 0.00 6.94 6.36 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 0.00 124 L 8.07 3.84 0.00 1.51 1.51 0.88 0.88 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 0.00 125 E 7.82 3.73 0.00 1.93 1.86 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 1.56 2.03 0.00 126 R 8.04 3.79 0.00 1.95 2.00 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 A 8.26 3.94 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 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0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 137 P 0.00 4.23 0.00 1.61 1.66 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.69 0.00 138 Y 7.96 4.13 0.00 3.03 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 0.00 139 T 7.31 4.39 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 0.17 0.00 0.00 140 Y 6.76 4.86 0.00 3.07 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 K 8.59 3.63 0.00 1.59 0.74 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.11 7.81 143 N 9.28 5.43 0.00 3.20 3.45 0.00 0.00 6.16 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 0.00 144 V 7.80 4.91 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 0.97 0.00 0.00 145 L 9.37 4.95 0.00 1.87 1.69 1.25 0.58 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 155 L 7.83 4.56 0.00 1.76 1.69 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.50 0.00 2.08 2.07 0.00 3.93 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 157 A 8.20 4.20 1.08 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 0.00 158 P 0.00 4.74 0.00 2.10 2.07 0.00 3.90 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 2.18 2.01 0.00 159 T 8.97 4.41 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 1.23 0.00 0.00 160 L 8.28 3.87 0.00 1.35 1.34 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 V 6.99 3.53 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 -0.20 0.00 0.00 0.47 0.00 0.00 162 E 7.60 4.07 0.00 2.09 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 0.00 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0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.95 3.61 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 1.16 0.00 0.00 1.08 0.00 0.00 173 E 8.21 4.03 0.00 2.13 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 2.40 2.49 0.00 174 G 8.29 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 0.00 175 I 8.00 3.70 2.06 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 0.99 0.00 0.00 176 F 8.45 3.12 0.00 2.36 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 0.00 177 N 8.59 4.01 0.00 2.68 2.78 0.00 0.00 6.74 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.13 4.21 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 0.00 179 V 7.77 3.64 2.02 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 215 Q 7.38 3.61 0.00 1.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 216 A 7.35 4.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 V 8.37 4.93 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 1.03 0.00 0.00 1.15 0.00 0.00 218 T 8.51 4.68 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 0.00 219 L 8.28 4.21 0.00 1.45 1.62 0.17 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 220 R 8.06 4.02 0.00 1.81 1.99 0.00 3.20 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 221 H 8.26 4.34 0.00 3.17 3.36 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.07 0.00 1.95 2.00 0.00 3.13 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 *224 A 8.13 4.53 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 0.00 225 E 8.11 4.06 0.00 2.05 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 2.46 2.36 0.00 226 S 7.90 4.18 0.00 4.07 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 0.00 227 Y 7.71 4.49 0.00 3.24 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 0.00 228 L 8.57 4.11 0.00 1.97 2.06 1.01 0.80 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 0.00 229 E 8.48 4.20 0.00 2.42 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 2.67 2.53 0.00 230 R 8.03 3.98 0.00 2.04 2.29 0.00 3.19 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 231 D 8.33 4.39 0.00 3.00 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 0.00 232 V 8.11 3.70 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.93 0.00 0.00 233 R 8.31 4.09 0.00 2.15 2.01 0.00 3.08 0.00 0.00 2.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 234 N 8.54 4.44 0.00 2.95 2.94 0.00 0.00 7.01 6.86 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 0.00 235 I 7.97 4.07 2.25 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.98 1.30 0.00 0.00 236 I 8.30 3.91 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.12 1.00 0.00 0.00 237 R 8.17 3.92 0.00 1.96 2.32 0.00 3.35 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 238 F 8.55 4.23 0.00 3.29 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 0.00 239 F 8.60 4.20 0.00 3.29 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 0.00 240 S 8.30 4.26 0.00 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 K 7.53 3.94 0.00 1.18 1.31 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.47 7.81 242 Y 7.60 4.32 0.00 3.00 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 0.00 243 G 7.88 3.84 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 0.00 0.00 0.00 244 V 7.38 3.66 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 0.11 0.00 0.00 0.97 0.00 0.00 245 K 8.41 4.24 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 246 A 8.15 4.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 D 8.40 5.01 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 F 9.23 4.34 0.00 2.98 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 0.00 249 E 8.48 3.77 0.00 2.10 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 2.34 2.26 0.00 250 E 7.59 4.05 0.00 2.24 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 2.31 2.25 0.00 *252 L 8.02 3.97 0.00 1.20 1.39 0.80 0.51 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 0.00 253 K 8.03 3.82 0.00 1.84 1.77 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 254 E 8.40 3.83 0.00 2.05 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 2.25 2.24 0.00 255 V 7.66 3.43 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 0.85 0.00 0.00 256 K 7.90 3.54 0.00 1.56 1.62 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.41 1.05 7.81 257 G 7.39 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 E 8.36 4.24 0.00 1.85 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 2.21 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.