NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3081 8.1927 115.4114 57.8839 64.3259 172.5770 3 V 3.8354 8.2510 122.4192 62.5493 31.3819 173.9534 4 Q 4.6461 9.0646 126.4581 55.6482 32.5013 175.2128 5 V 4.8561 7.9104 119.1253 60.8597 35.1180 174.1246 6 G 4.7288 8.9602 114.9104 44.0017 0.0000 172.3479 7 V 5.0488 9.1763 126.8014 61.3689 33.5992 174.4846 8 I 5.8184 8.2784 121.6556 58.1294 40.7975 175.9353 *10 G 4.0450 8.6969 107.5954 46.7051 0.0000 173.1971 11 S 4.7725 8.1226 112.5758 55.6777 66.2419 175.5110 12 K 3.9945 8.6749 120.8425 59.4221 31.4465 179.3979 13 S 4.3458 7.6892 113.4554 60.6501 63.3655 175.3622 14 D 4.6079 8.2762 122.1399 55.3770 40.5801 178.0062 15 W 4.5081 8.0971 129.4643 60.4368 30.7624 177.5457 16 S 4.1087 8.1765 113.0100 61.2812 62.4700 174.8083 17 T 4.1889 7.5272 118.1770 63.6249 68.1992 176.3766 *19 K 2.9595 7.9436 123.0295 56.2535 34.1675 177.7745 20 E 3.9261 7.5260 118.9866 58.9135 29.1732 178.5739 21 C 4.0532 7.7516 118.5012 62.7452 31.6503 175.1669 22 C 3.4341 7.7222 117.5973 62.7161 27.7355 175.6048 23 D 4.3542 8.1603 120.6191 57.5622 40.3469 179.1775 24 I 3.6693 7.3312 119.8786 64.2648 37.0237 178.2757 25 L 3.8971 7.5800 119.8022 57.9974 41.4487 179.3312 26 D 4.4955 8.3207 118.6397 57.7192 40.6138 178.7095 27 N 4.4174 8.0642 115.4092 55.9644 38.6416 176.5506 28 L 4.4428 8.0633 117.6696 53.8308 42.0636 176.9301 29 G 3.9467 7.7207 106.8576 46.5486 0.0000 173.5240 30 I 4.3025 7.9263 120.5348 59.6760 38.5031 176.3064 31 G 4.1031 8.9531 114.0555 45.8420 0.0000 171.9447 32 Y 5.6162 7.8949 120.5008 55.7584 41.3470 173.3538 33 E 4.9765 9.2717 117.7863 54.5656 33.0282 174.4964 34 C 6.0550 8.6364 115.3919 55.8254 32.5770 172.6513 35 E 4.6357 8.4769 120.9050 54.9147 33.1631 173.5993 36 V 4.1760 8.2149 125.5560 61.9931 32.4024 175.4641 37 V 4.2064 8.1184 127.5481 61.1656 34.6198 174.0370 38 S 4.4900 8.5954 123.6482 56.8492 62.8677 174.8418 39 A 4.0323 8.5878 131.3916 55.3546 18.4998 177.9214 40 H 4.6099 7.9802 111.5994 57.8114 29.3577 176.5071 41 R 4.3785 8.2251 117.2258 56.8827 31.8094 176.5904 42 T 4.7201 7.7932 107.4617 59.5382 68.4822 173.0808 43 P 4.3518 0.0000 0.0000 66.6277 32.3945 178.2421 44 D 4.4099 8.1411 118.5294 57.1325 41.0569 179.7889 45 K 4.3319 7.5451 118.6651 56.5076 31.7077 178.6199 *47 F 4.8430 8.2739 117.2188 57.3795 41.1537 177.3344 48 D 4.6644 8.4822 121.5992 57.0133 40.4280 178.0788 49 Y 3.9546 8.6881 120.1645 60.6961 38.6654 178.2463 50 A 4.0472 8.1419 121.0040 55.3469 18.2830 179.0058 51 E 3.8838 8.6530 117.7744 59.2493 29.6104 178.8577 52 T 4.4594 7.5599 106.1718 61.4259 69.5392 176.1562 53 A 3.7291 7.5829 125.1128 55.2463 18.3880 179.7348 54 K 3.8705 7.8866 117.7913 59.6354 32.2396 178.7972 55 E 4.0218 8.0117 115.1088 58.9131 29.7681 177.6593 56 R 4.0033 7.7599 116.9909 56.8514 30.1579 177.3127 57 G 3.9624 8.0521 107.0051 44.8953 0.0000 174.0465 58 L 4.3161 7.3995 119.3269 54.7424 42.1214 176.8982 59 K 4.5781 8.9548 120.8819 56.7380 34.5287 176.7417 60 V 4.7487 7.6648 118.4953 61.2105 35.6189 173.6195 61 I 5.1304 8.6437 126.9741 59.6232 40.2620 174.4148 62 I 5.0129 9.0934 127.6477 59.5031 39.6781 174.4422 63 A 5.1431 9.4033 129.3049 50.0553 21.8004 174.6944 64 G 4.7536 8.8177 110.2452 44.1445 0.0000 172.5871 65 A 4.7204 8.3022 123.0169 50.8521 22.7148 175.0618 66 G 4.2581 8.4766 105.9360 44.2873 0.0000 175.5908 67 G 3.9953 8.7646 108.2289 45.7665 0.0000 176.9254 68 A 4.2833 8.5189 123.3710 51.7175 16.1232 175.5097 69 A 4.4377 8.0868 122.5538 51.5367 18.1371 176.7385 70 H 4.8395 8.3518 118.5228 56.9498 30.6657 177.3687 71 L 3.8695 8.2498 120.9134 57.7630 42.1350 176.3089 72 P 4.4207 0.0000 0.0000 65.7015 31.6500 179.2434 73 G 3.8570 7.6543 104.3809 46.1965 0.0000 175.4157 *75 V 3.9605 7.9919 120.8921 62.5189 32.8427 177.5417 76 A 4.0237 8.1050 122.0243 54.8167 18.3664 179.3494 77 A 3.7644 7.8668 118.0349 54.2456 18.4727 178.2484 78 K 4.3369 7.7958 112.7242 56.2365 33.1993 175.9048 79 T 4.6448 7.2992 112.7578 60.4530 70.3063 173.5619 80 T 4.3045 8.3621 115.3106 61.9404 69.6043 175.0231 81 L 4.3296 7.5164 122.8630 54.0385 42.7065 175.2958 82 P 4.3753 0.0000 0.0000 63.3384 32.6456 174.9190 83 V 4.9023 8.5486 123.6799 61.0591 34.2321 173.7405 84 L 5.1960 9.2949 128.6600 53.2420 43.9239 175.5039 85 G 4.3757 9.4789 112.0217 44.5481 0.0000 172.4170 86 V 4.5835 8.5924 125.1938 60.4419 34.1008 172.7917 87 P 4.9302 0.0000 0.0000 62.0715 32.2889 176.0047 88 V 4.0616 8.3803 125.9067 62.0870 32.4593 175.7120 89 K 4.1057 8.5800 128.9929 56.0910 32.4574 176.6182 90 S 4.5426 8.5685 121.4827 57.4716 64.2231 175.4308 91 S 4.1381 8.5747 117.1305 61.3368 63.3340 175.7951 92 T 4.1261 8.0222 110.2406 63.8840 69.3394 175.7780 93 L 4.5941 7.7989 120.5214 53.0223 42.0859 176.1378 94 N 4.3461 8.8763 114.3969 54.3049 36.7358 175.6424 95 G 3.9677 8.5316 105.7086 45.8065 0.0000 176.0951 96 Q 3.9447 8.2601 121.4201 59.1003 28.8742 177.8428 97 D 4.3212 8.0444 119.5581 56.7574 38.9982 178.4126 98 S 4.3627 8.0332 117.9155 60.3599 62.7729 176.4488 99 L 3.9618 8.2627 123.1596 58.2673 41.8240 179.0742 100 L 4.0129 7.9262 118.9560 57.8278 41.3285 179.6462 101 S 4.2318 8.2034 114.2767 60.7373 62.7142 175.9710 102 I 4.1964 7.1540 121.0689 63.3515 37.8847 178.1136 103 V 3.8736 7.7999 119.9609 62.3743 31.7088 176.4462 104 Q 4.1022 7.2604 118.6707 54.4109 29.2851 173.5867 *106 P 4.1377 0.0000 0.0000 61.5717 32.6854 175.6353 107 A 4.1294 8.3752 122.5715 52.9483 18.6716 176.5486 108 G 3.6166 8.2533 113.9229 45.5370 0.0000 173.8763 109 I 4.4047 7.1468 120.7616 58.7544 39.1715 172.9206 110 P 4.6251 0.0000 0.0000 61.6864 32.6074 175.7258 111 V 4.4121 7.9554 119.0177 60.8574 34.2899 174.6542 112 A 3.9544 8.6518 130.2158 52.3178 18.9956 176.0456 113 T 4.8508 8.0508 119.1674 62.1118 71.4894 173.9116 114 F 4.7411 8.2944 122.9107 54.9055 42.7246 174.9721 115 A 4.1778 8.5906 121.7094 52.0290 18.7560 177.1276 116 I 4.0634 8.0917 121.1925 62.8007 37.1793 174.9454 117 G 3.7215 8.7114 119.1016 45.9705 0.0000 175.0665 *119 A 4.2438 7.7774 119.4497 51.2581 21.1965 179.3826 120 G 4.2087 8.2861 103.1441 47.2742 0.0000 175.5942 121 A 3.9122 7.9885 123.1622 54.9119 18.4050 179.9349 122 K 3.7987 7.8361 116.3762 59.7459 32.2484 179.2972 123 N 4.2570 8.2125 116.4763 56.0242 38.3284 177.3710 124 A 2.8558 7.9270 122.4902 54.5180 18.3588 179.4532 125 A 3.7730 7.4845 118.9890 55.3991 18.4781 179.9576 126 L 3.7265 7.6524 117.4401 57.6297 41.6176 179.5613 127 F 3.9976 8.5872 120.9768 61.0121 39.2734 176.9098 128 A 3.9833 8.2394 120.3889 55.1832 18.1793 179.2830 129 A 3.8686 7.9873 119.3786 55.4957 18.2154 180.1032 130 S 4.0111 7.6347 111.2352 61.3493 62.7399 176.6013 131 I 3.7143 7.4172 123.5176 64.2130 36.7363 178.1103 132 L 3.8708 8.0970 119.2170 56.6048 41.5518 179.0138 133 Q 4.1835 8.1367 117.8232 58.8678 28.3123 177.7050 134 H 4.4224 7.6775 119.6838 58.2125 29.8106 175.4835 135 T 4.4958 7.3182 108.9709 60.2904 69.4190 173.9708 136 D 4.4121 7.8273 122.3497 52.9761 43.8442 175.5397 137 I 3.8007 8.3883 129.3754 64.3169 37.2014 178.1345 138 N 4.4099 8.3822 117.6830 56.2291 38.3369 177.5482 139 I 3.7234 7.9121 120.6852 64.0342 37.1868 178.0159 140 A 4.1909 7.8354 122.8381 54.5080 18.1665 179.5688 141 K 3.8445 8.1121 117.7868 59.6545 32.3061 178.8578 142 A 4.0016 8.1575 121.0780 55.0669 18.2098 179.4295 143 L 3.9354 8.5157 119.1173 58.1447 42.1008 178.9650 144 A 4.0128 8.3263 121.1172 55.2351 18.2438 179.2792 145 E 3.8883 8.5671 118.1141 59.1432 29.7029 178.7620 146 F 4.0016 8.3214 120.7983 61.4644 39.5278 177.4128 147 R 4.0301 8.6029 117.7786 59.1882 29.7972 178.9437 148 A 4.0196 8.3339 120.9219 55.0554 18.2950 179.3639 149 E 3.8525 8.4221 118.4009 59.3348 29.3409 179.0492 150 Q 3.8647 7.9574 117.8135 59.3476 28.6369 178.5968 151 T 3.9082 7.9608 117.6988 66.4862 68.4394 176.4936 152 R 3.8933 8.1842 120.6969 59.4075 29.8590 178.1225 153 F 4.0035 8.2446 119.6443 61.3293 39.7307 177.0833 154 V 3.6811 7.5799 116.4885 65.9893 31.2086 178.1632 155 L 4.1217 7.7689 117.6856 57.4118 41.4730 178.9024 156 E 4.2618 8.2347 117.0364 57.4225 30.8125 176.7439 157 N 4.8332 7.1740 115.8607 50.5831 38.8515 171.7984 158 P 4.2897 0.0000 0.0000 64.0221 32.4882 176.8157 159 D 4.7253 7.7866 118.6683 51.6704 41.7427 174.0180 160 P 4.4413 0.0000 0.0000 63.9748 32.0833 176.8385 161 R 4.0481 7.7814 119.2769 56.2855 30.5324 176.2930 162 E 4.0834 8.7635 123.1948 58.3531 30.2275 175.9376 163 H 4.5135 7.8830 118.9517 55.9128 29.6808 173.0420 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 4.31 0.00 4.01 4.06 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 3 V 8.25 3.84 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 0.81 0.00 0.00 0.89 0.00 0.00 4 Q 9.06 4.65 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 5 V 7.91 4.86 2.20 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 1.04 0.00 0.00 0.97 0.00 0.00 6 G 8.96 4.73 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 0.00 0.00 0.00 7 V 9.18 5.05 2.20 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 1.10 0.00 0.00 0.88 0.00 0.00 8 I 8.28 5.82 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.05 0.43 0.00 0.00 *10 G 8.70 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 0.00 0.00 0.00 11 S 8.12 4.77 0.00 3.96 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 12 K 8.67 3.99 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 S 7.69 4.35 0.00 4.02 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 14 D 8.28 4.61 0.00 2.90 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 15 W 8.10 4.51 0.00 3.30 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.18 4.11 0.00 4.01 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 17 T 7.53 4.19 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 1.17 0.00 0.00 *19 K 7.94 2.96 0.00 0.98 0.74 0.00 1.17 0.00 0.00 1.23 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.02 7.81 20 E 7.53 3.93 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 21 C 7.75 4.05 0.00 2.89 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 22 C 7.72 3.43 0.00 3.05 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 23 D 8.16 4.35 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.33 3.67 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.59 0.00 0.00 25 L 7.58 3.90 0.00 1.45 1.73 0.53 1.01 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 26 D 8.32 4.50 0.00 2.93 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 27 N 8.06 4.42 0.00 2.89 2.97 0.00 0.00 7.11 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 28 L 8.06 4.44 0.00 1.56 1.66 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.72 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.93 4.30 1.91 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 1.16 0.78 0.96 0.00 0.00 31 G 8.95 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 0.00 0.00 0.00 0.00 32 Y 7.89 5.62 0.00 3.13 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 33 E 9.27 4.98 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 34 C 8.64 6.06 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.48 4.64 0.00 2.03 1.63 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 2.18 2.26 0.00 36 V 8.21 4.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.86 0.00 0.00 37 V 8.12 4.21 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 0.84 0.00 0.00 0.65 0.00 0.00 38 S 8.60 4.49 0.00 4.04 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 39 A 8.59 4.03 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 40 H 7.98 4.61 0.00 3.15 3.35 0.00 5.71 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 41 R 8.23 4.38 0.00 1.77 1.97 0.00 3.10 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 42 T 7.79 4.72 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 1.20 0.00 0.00 43 P 0.00 4.35 0.00 1.99 2.24 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 44 D 8.14 4.41 0.00 2.71 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 45 K 7.55 4.33 0.00 1.93 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *47 F 8.27 4.84 0.00 3.35 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 48 D 8.48 4.66 0.00 2.95 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 49 Y 8.69 3.95 0.00 3.11 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 50 A 8.14 4.05 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 51 E 8.65 3.88 0.00 2.21 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 2.28 2.28 0.00 52 T 7.56 4.46 4.17 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 1.28 0.00 0.00 53 A 7.58 3.73 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 54 K 7.89 3.87 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 E 8.01 4.02 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 56 R 7.76 4.00 0.00 1.88 1.94 0.00 3.05 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 57 G 8.05 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 58 L 7.40 4.32 0.00 1.76 1.63 0.94 0.62 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 59 K 8.95 4.58 0.00 1.57 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 60 V 7.66 4.75 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 61 I 8.64 5.13 1.97 0.00 0.00 1.00 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 0.57 1.11 0.00 0.00 62 I 9.09 5.01 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.87 0.00 0.00 63 A 9.40 5.14 1.21 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 64 G 8.82 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.30 4.72 1.21 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 66 G 8.48 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 0.00 0.00 0.00 0.00 67 G 8.76 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 68 A 8.52 4.28 1.21 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 69 A 8.09 4.44 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 70 H 8.35 4.84 0.00 3.18 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.25 3.87 0.00 1.56 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.42 0.00 2.24 2.11 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 73 G 7.65 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 V 7.99 3.96 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 1.06 0.00 0.00 1.06 0.00 0.00 76 A 8.10 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.87 3.76 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 78 K 7.80 4.34 0.00 1.52 1.55 0.00 1.29 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.78 0.21 7.81 79 T 7.30 4.64 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 1.36 0.00 0.00 80 T 8.36 4.30 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 1.20 0.00 0.00 81 L 7.52 4.33 0.00 1.62 1.68 0.99 1.04 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 82 P 0.00 4.38 0.00 2.23 2.29 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 83 V 8.55 4.90 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 1.05 0.00 0.00 1.03 0.00 0.00 84 L 9.29 5.20 0.00 1.65 1.78 1.06 0.98 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 85 G 9.48 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 0.00 0.00 0.00 0.00 86 V 8.59 4.58 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 0.98 0.00 0.00 87 P 0.00 4.93 0.00 2.12 2.09 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 88 V 8.38 4.06 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 0.76 0.00 0.00 0.94 0.00 0.00 89 K 8.58 4.11 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.50 7.81 90 S 8.57 4.54 0.00 4.04 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 91 S 8.57 4.14 0.00 4.00 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 92 T 8.02 4.13 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 93 L 7.80 4.59 0.00 1.85 1.67 0.92 0.74 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 94 N 8.88 4.35 0.00 2.78 2.86 0.00 0.00 6.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.53 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.26 3.94 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 97 D 8.04 4.32 0.00 3.09 2.92 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 98 S 8.03 4.36 0.00 4.03 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 99 L 8.26 3.96 0.00 1.80 1.86 0.89 0.52 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 0.00 100 L 7.93 4.01 0.00 1.75 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.20 4.23 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 0.00 102 I 7.15 4.20 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.91 0.00 0.00 103 V 7.80 3.87 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 1.05 0.00 0.00 0.85 0.00 0.00 104 Q 7.26 4.10 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 *106 P 0.00 4.14 0.00 2.19 2.01 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 107 A 8.38 4.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.25 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.15 4.40 1.87 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 1.35 0.97 0.92 0.00 0.00 110 P 0.00 4.63 0.00 2.16 2.03 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 1.96 1.94 0.00 111 V 7.96 4.41 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 0.82 0.00 0.00 0.97 0.00 0.00 112 A 8.65 3.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.05 4.85 4.06 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 1.16 0.00 0.00 114 F 8.29 4.74 0.00 2.89 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 0.00 115 A 8.59 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.09 4.06 1.88 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 1.35 0.58 0.97 0.00 0.00 117 G 8.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 A 7.78 4.24 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 0.00 120 G 8.29 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 0.00 121 A 7.99 3.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.84 3.80 0.00 1.92 1.82 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 123 N 8.21 4.26 0.00 2.84 2.85 0.00 0.00 6.95 6.91 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 0.00 124 A 7.93 2.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.48 3.77 1.21 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 0.00 126 L 7.65 3.73 0.00 1.73 1.57 0.82 -0.08 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 0.00 127 F 8.59 4.00 0.00 3.03 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 0.00 128 A 8.24 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 0.00 129 A 7.99 3.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.63 4.01 0.00 3.87 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 0.00 131 I 7.42 3.71 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.89 0.00 0.00 132 L 8.10 3.87 0.00 1.66 1.69 0.92 0.76 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 0.00 133 Q 8.14 4.18 0.00 2.27 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 134 H 7.68 4.42 0.00 2.99 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.32 4.50 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 D 7.83 4.41 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.39 3.80 1.86 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 1.63 0.70 0.91 0.00 0.00 138 N 8.38 4.41 0.00 2.87 2.87 0.00 0.00 6.92 7.45 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 0.00 139 I 7.91 3.72 2.01 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 1.57 0.52 0.88 0.00 0.00 140 A 7.84 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.11 3.84 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.16 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.52 3.94 0.00 1.75 1.88 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.33 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.57 3.89 0.00 2.17 2.20 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 2.33 2.38 0.00 146 F 8.32 4.00 0.00 3.22 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.60 4.03 0.00 1.97 2.03 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 148 A 8.33 4.02 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 0.00 149 E 8.42 3.85 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 150 Q 7.96 3.86 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 151 T 7.96 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 R 8.18 3.89 0.00 2.00 2.08 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 153 F 8.24 4.00 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.58 3.68 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 0.97 0.00 0.00 1.00 0.00 0.00 155 L 7.77 4.12 0.00 1.77 1.70 0.92 0.90 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 0.00 156 E 8.23 4.26 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 157 N 7.17 4.83 0.00 2.48 2.59 0.00 0.00 7.00 7.90 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 0.00 158 P 0.00 4.29 0.00 2.14 2.13 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 159 D 7.79 4.73 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.44 0.00 2.20 2.12 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 161 R 7.78 4.05 0.00 1.98 1.90 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 162 E 8.76 4.08 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.20 0.00 163 H 7.88 4.51 0.00 3.13 3.10 0.00 5.78 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 * Residues marked with a * may have inaccurate shift predictions.