NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 V 4.0166 8.0393 120.3875 63.0166 32.2489 176.6397 26 R 4.1308 8.8151 117.4037 55.6690 30.0668 176.5049 27 A 4.0148 8.6488 123.1623 55.0208 19.6509 179.7478 28 E 4.1839 8.0352 114.4006 58.4073 30.1601 177.2499 29 L 4.2506 7.2192 120.2452 55.2245 42.5586 176.4350 30 L 4.6690 8.7735 123.5774 55.3730 44.3341 177.6005 31 T 4.0652 7.9292 114.8534 64.4839 69.5551 173.9113 32 C 4.1560 8.7199 120.4294 59.8101 25.7561 173.4383 33 P 4.2621 0.0000 0.0000 65.1443 31.0215 176.5623 34 E 4.4869 7.8335 116.6386 55.2150 30.1027 175.1345 35 L 3.7596 7.5741 119.8551 55.3261 42.5882 176.3480 36 N 4.4116 8.5357 123.8964 53.6543 38.3505 175.1345 37 T 4.2479 8.2321 120.6000 63.6275 67.7429 175.7639 38 S 4.5073 7.9250 115.9101 59.8858 63.2248 174.5630 39 L 4.6325 7.9725 118.6319 54.4990 43.6894 176.8933 40 A 4.5455 8.2967 118.7993 51.3057 20.2144 176.1532 41 G 4.3359 8.4889 102.3956 44.8090 0.0000 172.3980 42 T 4.8311 8.4221 107.5907 59.5356 71.1213 173.4056 43 I 4.7055 8.4385 124.8275 60.4013 37.8114 175.6087 44 I 4.5937 8.5368 117.6658 60.5935 39.1522 175.2104 45 E 4.8340 7.6473 119.5253 55.4851 32.2909 174.1647 46 I 5.0140 7.8094 113.9904 59.9781 41.3185 173.1051 47 D 4.3306 8.6744 121.6088 53.0279 44.5515 174.8195 48 K 4.0485 8.6061 120.8261 58.4014 32.4983 176.3073 49 N 4.3939 9.1926 118.5457 53.3008 36.3370 172.4519 50 Y 5.3244 8.0492 118.8601 56.2798 42.5645 173.7000 51 A 5.1887 9.0184 126.1512 50.7715 23.5356 174.8277 52 K 5.0377 9.2092 121.4156 54.8921 35.9503 175.3899 53 S 5.1311 9.1940 121.7783 57.0362 68.2643 172.6787 54 I 5.0049 8.5980 120.8325 59.5145 41.0055 174.5392 55 L 4.8494 9.0536 129.0018 53.2839 44.2097 174.8396 56 I 4.6007 8.3274 127.9738 59.8679 38.6956 175.3459 57 T 4.2237 8.3047 120.9886 61.9493 69.5844 173.9212 58 T 4.7053 8.1675 113.5116 59.3348 71.9998 174.7449 59 S 4.3071 8.5234 116.1125 60.2514 63.3594 174.0350 60 E 4.1670 7.2111 119.3260 56.1533 29.3918 176.9033 *62 V 4.0472 7.4537 110.2140 62.4347 33.0977 175.9374 63 A 4.3788 9.1756 125.6383 53.4545 19.6867 176.5569 64 D 4.7389 7.5355 113.7145 52.4334 42.4477 174.8943 65 D 4.7809 8.6027 116.6693 53.6665 39.2485 176.5491 66 Q 4.3192 10.0650 119.4478 56.0921 29.7643 176.2356 67 G 3.9239 7.9553 105.2999 45.7474 0.0000 172.6656 68 L 4.4458 7.9118 122.5041 54.8706 43.3041 175.5154 69 I 4.6034 8.1191 127.2909 59.6565 38.7201 175.5760 70 F 4.4838 9.1551 129.4315 58.8949 39.8490 175.6132 71 D 4.3743 8.6608 125.5899 57.5118 40.5794 178.7937 72 A 3.9328 6.5153 120.3920 54.7739 18.3283 179.4162 73 F 4.3984 8.1694 116.5775 60.2623 38.8526 177.8453 74 I 3.7503 7.9150 113.3332 63.5885 37.4093 177.9176 75 F 3.9526 8.3770 121.7694 61.0065 39.1554 176.4981 76 A 3.9279 8.6328 120.3693 55.3406 18.1729 179.4432 77 A 4.6206 8.1374 119.9623 54.8132 18.4491 179.6681 78 A 3.7745 7.7749 119.4432 55.0792 18.4348 179.1890 79 N 3.9379 8.2222 116.2093 56.9246 38.9429 176.3180 80 Y 4.3201 8.1036 121.0096 60.9548 39.0246 178.4790 81 V 3.3909 7.9460 119.8066 64.4379 31.1601 178.0994 82 A 4.0234 7.9681 122.7891 54.7222 18.2029 179.6968 83 Q 4.0518 8.1167 116.1805 58.9568 28.5030 178.8328 84 A 3.9775 7.8848 121.5175 54.9962 18.3785 179.5370 85 S 4.3659 8.0617 112.5761 60.8169 62.8736 175.9175 86 I 4.0190 7.1945 121.0875 60.1512 39.1849 174.6060 87 N 4.2661 8.1742 116.3527 53.2899 37.6355 173.5929 88 K 4.6287 7.6331 115.1384 54.5726 34.5225 177.0849 89 E 3.8889 8.9296 122.9700 58.4932 29.9240 176.4564 90 F 4.8249 8.1878 118.5042 55.3892 40.2933 174.5250 91 S 5.2302 8.2481 116.4444 56.8088 66.5933 173.3074 92 V 4.6297 8.7323 119.4237 61.6290 35.2586 173.1039 93 I 5.0341 8.3323 118.7011 59.5057 39.1002 175.3887 94 I 4.4675 8.3296 116.3941 60.2820 38.9595 175.3626 95 G 4.2960 7.6004 106.1077 46.0776 0.0000 172.6104 96 S 5.2937 8.6056 115.2045 56.8194 66.6206 173.7552 97 K 4.3737 9.1384 121.9915 55.3924 34.5968 174.6267 98 C 5.0362 8.4852 124.1359 57.6899 32.1384 173.5869 99 F 4.5509 8.4757 119.4039 55.6481 42.0176 174.2555 100 F 4.8597 9.0202 122.5083 56.0344 39.2764 175.0786 101 Y 4.5961 8.6046 122.5106 60.4946 38.2658 176.4796 102 A 4.7632 7.7032 119.9158 50.0722 22.1133 173.7981 103 P 4.7234 0.0000 0.0000 62.5644 32.8103 176.1801 104 L 4.4510 8.5788 121.0824 54.5803 43.4230 175.4902 105 K 4.9921 9.1351 122.4928 54.0502 35.2666 175.3358 106 L 4.0350 8.6572 128.6539 56.8237 42.3032 176.8855 107 G 4.1301 8.7100 114.1667 45.6033 0.0000 173.8611 108 D 4.6043 8.3943 120.0602 54.2436 42.2055 175.5215 109 V 4.7050 8.2669 121.4770 61.1138 33.6808 174.3550 110 L 4.7173 9.0356 130.7991 54.0506 43.9558 174.7000 111 E 5.0893 9.5165 126.2314 54.7499 31.7007 174.8178 112 L 5.2563 8.8697 124.8750 52.8217 45.0720 175.1711 113 E 5.1585 9.1559 123.0691 54.2954 33.3329 174.1970 114 A 5.2413 9.1334 127.5804 50.4377 22.4900 174.4359 115 H 5.1444 9.3096 119.4520 53.8088 32.0656 172.6593 116 A 4.8514 8.7948 126.3589 50.4120 19.9046 176.4307 117 L 4.1512 8.7044 125.9636 55.2502 42.7373 176.6904 118 F 4.6911 9.3011 122.9069 55.9081 38.3965 174.5177 119 D 4.7824 8.4615 124.5374 52.2620 43.8732 174.6749 120 E 4.3102 8.5724 124.5057 56.5786 29.6658 177.1012 121 T 3.8481 7.8473 112.7281 63.0897 67.7034 174.7241 122 S 4.5655 7.2856 113.0778 57.8197 65.5445 176.6984 123 K 4.0368 8.1127 119.8669 58.5498 32.6306 176.8029 124 K 4.8608 7.8064 120.2948 55.3611 33.0533 176.5487 125 R 4.7463 9.2902 123.9782 54.4556 34.3525 173.9760 126 D 5.3183 8.6674 122.1710 52.7755 43.4864 175.3476 127 V 4.7348 8.6107 122.8093 61.0056 34.5483 174.2973 128 K 4.7731 9.1595 128.5120 55.7019 33.3441 175.9001 129 V 5.0802 9.0952 126.0844 60.9922 34.4651 174.7065 130 V 4.9611 8.8646 126.0307 59.9248 34.6280 174.3840 131 G 4.5047 9.4340 111.0212 44.7814 0.0000 171.4981 132 H 5.5422 9.5088 120.8956 53.7998 33.0562 173.0308 133 V 4.6438 8.6474 121.7838 60.6243 33.3778 176.0705 134 K 3.6221 8.8278 129.5646 58.2377 30.8207 176.5397 135 E 4.3278 8.9806 127.1250 57.2084 29.6574 175.1635 136 I 4.2779 7.6115 121.9854 59.1518 38.3876 175.6041 137 K 4.9341 8.2641 125.9346 55.7166 33.0840 175.4507 *139 F 4.4907 8.2365 124.3575 58.1292 40.9886 173.1700 140 E 4.9202 7.5914 125.2801 54.7412 33.3791 174.0310 141 G 4.2762 8.8312 111.4610 45.6735 0.0000 171.8327 142 T 5.2704 8.8041 118.1958 61.5532 71.5046 173.4103 143 I 5.0191 8.8520 126.9436 59.4874 41.0498 174.2481 144 Q 4.8225 9.2577 128.8065 54.9565 30.4219 174.1589 145 V 4.7366 8.8307 127.7084 61.2381 34.0234 174.5016 146 V 5.0705 8.9381 127.6255 61.1250 34.2707 174.4974 147 S 5.4411 8.6620 122.0542 56.9566 65.8186 172.5813 148 T 4.7038 8.4375 110.2487 60.0696 71.5074 173.6316 149 D 4.3921 8.6474 120.3060 56.3617 41.1991 176.7476 150 E 3.5248 7.3958 117.0956 54.1819 32.8350 173.3490 151 H 4.1029 7.3484 122.6493 53.9534 31.8031 175.7032 152 I 3.7970 7.9145 126.5018 63.8811 37.1280 177.2658 153 F 4.8536 7.9569 117.8105 58.8331 39.5201 175.4862 154 K 4.2148 7.7450 124.3929 56.4137 31.9209 175.7953 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 25 V 8.04 4.02 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 0.99 0.00 0.00 0.91 0.00 0.00 26 R 8.82 4.13 0.00 2.12 2.15 0.00 3.03 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 27 A 8.65 4.01 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 28 E 8.04 4.18 0.00 1.95 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 2.27 2.21 0.00 29 L 7.22 4.25 0.00 1.49 1.77 0.93 1.04 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 30 L 8.77 4.67 0.00 1.61 1.61 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.93 4.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 32 C 8.72 4.16 0.00 3.16 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 33 P 0.00 4.26 0.00 2.15 2.18 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 34 E 7.83 4.49 0.00 1.87 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 2.17 2.30 0.00 35 L 7.57 3.76 0.00 1.42 1.28 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.54 4.41 0.00 2.75 2.73 0.00 0.00 6.85 7.22 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 37 T 8.23 4.25 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 1.23 0.00 0.00 38 S 7.93 4.51 0.00 3.94 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 39 L 7.97 4.63 0.00 1.82 1.88 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.30 4.55 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 41 G 8.49 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.42 4.83 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 1.25 0.00 0.00 43 I 8.44 4.71 1.67 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.66 0.80 0.00 0.00 44 I 8.54 4.59 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.94 0.00 0.00 45 E 7.65 4.83 0.00 1.86 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 2.09 1.92 0.00 46 I 7.81 5.01 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.82 0.00 0.00 47 D 8.67 4.33 0.00 2.39 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.61 4.05 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 49 N 9.19 4.39 0.00 2.84 3.10 0.00 0.00 6.99 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 50 Y 8.05 5.32 0.00 3.08 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 51 A 9.02 5.19 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 52 K 9.21 5.04 0.00 1.75 1.54 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.51 7.81 53 S 9.19 5.13 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.60 5.00 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 1.10 0.73 0.91 0.00 0.00 55 L 9.05 4.85 0.00 1.71 1.52 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.33 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.91 0.00 0.00 57 T 8.30 4.22 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 1.25 0.00 0.00 58 T 8.17 4.71 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 1.24 0.00 0.00 59 S 8.52 4.31 0.00 3.97 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 60 E 7.21 4.17 0.00 2.11 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 2.15 2.17 0.00 *62 V 7.45 4.05 2.26 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 0.69 0.00 0.00 0.99 0.00 0.00 63 A 9.18 4.38 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 64 D 7.54 4.74 0.00 2.86 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 65 D 8.60 4.78 0.00 2.80 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 66 Q 10.06 4.32 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 67 G 7.96 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 68 L 7.91 4.45 0.00 1.83 1.91 0.98 1.07 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 69 I 8.12 4.60 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 1.02 0.00 0.00 70 F 9.16 4.48 0.00 3.23 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.66 4.37 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 6.52 3.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.17 4.40 0.00 3.36 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.91 3.75 1.72 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.29 1.01 0.00 0.00 75 F 8.38 3.95 0.00 3.30 3.37 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 76 A 8.63 3.93 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 8.14 4.62 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.77 3.77 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 79 N 8.22 3.94 0.00 2.25 2.88 0.00 0.00 6.87 6.53 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 80 Y 8.10 4.32 0.00 3.03 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 81 V 7.95 3.39 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 0.71 0.00 0.00 0.85 0.00 0.00 82 A 7.97 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.12 4.05 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 84 A 7.88 3.98 1.15 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 0.00 0.00 85 S 8.06 4.37 0.00 4.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.19 4.02 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.03 0.00 0.00 87 N 8.17 4.27 0.00 2.99 2.82 0.00 0.00 7.09 6.42 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 88 K 7.63 4.63 0.00 1.81 1.78 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 89 E 8.93 3.89 0.00 2.00 1.76 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 2.11 2.29 0.00 90 F 8.19 4.82 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.25 5.23 0.00 3.90 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 92 V 8.73 4.63 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 0.98 0.00 0.00 0.86 0.00 0.00 93 I 8.33 5.03 2.01 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 1.47 0.88 0.98 0.00 0.00 94 I 8.33 4.47 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.92 0.00 0.00 95 G 7.60 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 0.00 0.00 0.00 0.00 96 S 8.61 5.29 0.00 4.09 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 97 K 9.14 4.37 0.00 1.84 1.67 0.00 1.20 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 98 C 8.49 5.04 0.00 2.72 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 99 F 8.48 4.55 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.02 4.86 0.00 2.83 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.60 4.60 0.00 3.07 2.97 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 0.00 102 A 7.70 4.76 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 0.00 103 P 0.00 4.72 0.00 2.14 2.13 0.00 3.58 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 2.05 2.18 0.00 104 L 8.58 4.45 0.00 1.75 1.67 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.14 4.99 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 106 L 8.66 4.03 0.00 1.66 1.59 0.97 1.15 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 0.00 107 G 8.71 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 0.00 108 D 8.39 4.60 0.00 2.75 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 0.00 109 V 8.27 4.71 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 0.83 0.00 0.00 0.94 0.00 0.00 110 L 9.04 4.72 0.00 1.79 1.51 1.03 0.65 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 0.00 111 E 9.52 5.09 0.00 1.94 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 2.25 2.29 0.00 112 L 8.87 5.26 0.00 1.50 1.48 0.86 0.70 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 0.00 113 E 9.16 5.16 0.00 2.00 1.72 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 2.07 2.34 0.00 114 A 9.13 5.24 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.31 5.14 0.00 3.01 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.79 4.85 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 0.00 117 L 8.70 4.15 0.00 1.69 1.85 0.92 0.71 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 0.00 118 F 9.30 4.69 0.00 3.23 3.10 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 0.00 119 D 8.46 4.78 0.00 2.76 2.53 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 0.00 120 E 8.57 4.31 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 121 T 7.85 3.85 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 1.21 0.00 0.00 122 S 7.29 4.57 0.00 3.85 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 0.00 123 K 8.11 4.04 0.00 1.75 2.03 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.50 7.81 124 K 7.81 4.86 0.00 1.68 1.76 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 125 R 9.29 4.75 0.00 1.65 1.79 0.00 3.30 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 126 D 8.67 5.32 0.00 2.61 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 0.00 127 V 8.61 4.73 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 1.13 0.00 0.00 0.95 0.00 0.00 128 K 9.16 4.77 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.53 7.81 129 V 9.10 5.08 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 1.17 0.00 0.00 0.94 0.00 0.00 130 V 8.86 4.96 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 0.69 0.00 0.00 0.97 0.00 0.00 131 G 9.43 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 0.00 132 H 9.51 5.54 0.00 3.02 3.35 0.00 5.57 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 0.00 133 V 8.65 4.64 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 1.01 0.00 0.00 1.04 0.00 0.00 134 K 8.83 3.62 0.00 1.95 1.03 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 135 E 8.98 4.33 0.00 1.91 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 2.25 2.37 0.00 136 I 7.61 4.28 2.00 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 1.18 0.65 0.95 0.00 0.00 137 K 8.26 4.93 0.00 1.87 1.77 0.00 1.66 0.00 0.00 2.61 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.73 1.58 7.81 *139 F 8.24 4.49 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 7.59 4.92 0.00 2.05 1.48 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 0.00 2.13 2.20 0.00 141 G 8.83 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 0.00 142 T 8.80 5.27 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 0.00 143 I 8.85 5.02 1.89 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 1.20 0.79 0.94 0.00 0.00 144 Q 9.26 4.82 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 145 V 8.83 4.74 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 0.82 0.00 0.00 0.95 0.00 0.00 146 V 8.94 5.07 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 0.95 0.00 0.00 0.94 0.00 0.00 147 S 8.66 5.44 0.00 4.09 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 0.00 148 T 8.44 4.70 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 1.18 0.00 0.00 149 D 8.65 4.39 0.00 2.57 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 0.00 150 E 7.40 3.52 0.00 1.60 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 151 H 7.35 4.10 0.00 3.61 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.91 3.80 1.46 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.20 0.84 0.00 0.00 153 F 7.96 4.85 0.00 3.14 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 0.00 154 K 7.74 4.21 0.00 1.84 1.72 0.00 1.87 0.00 0.00 2.07 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.