NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2301 8.3449 121.6395 55.4388 30.5948 174.4857 2 I 3.7430 7.2553 118.0068 59.5562 37.4586 170.1602 3 V 3.9628 9.3287 128.1448 62.3200 33.7781 174.2344 4 L 5.1537 8.5072 127.2637 53.3924 44.2017 175.1787 5 T 4.6961 9.2012 121.0134 61.8905 71.2004 173.0627 6 Q 5.0908 8.8157 125.8615 54.2806 30.3387 175.2624 7 S 4.7071 8.6034 118.1272 55.4218 65.7019 171.6613 8 P 4.5812 0.0000 0.0000 62.3659 32.1594 176.4982 9 V 3.8356 8.4167 118.9659 65.2563 32.6953 175.6392 10 I 5.0165 7.7456 120.1764 59.4949 40.0181 174.6925 11 M 4.6654 9.2203 127.4398 53.7488 34.4900 174.3270 12 S 5.1944 8.7670 120.7892 57.4671 64.1304 172.9709 13 A 4.7305 8.9659 127.8824 50.3417 22.5923 175.6700 14 S 4.5750 8.6943 118.3039 57.7167 64.6032 174.0445 15 L 4.2213 8.3153 123.0892 56.3498 41.7954 178.0652 16 G 4.1705 9.0126 111.6891 44.8099 0.0000 173.1983 17 E 4.4663 7.6751 119.1591 55.1421 31.7541 174.8455 18 E 4.7861 8.4548 122.3576 55.6593 30.7884 175.2694 19 I 4.6803 8.5098 125.6022 59.4968 42.1773 173.8389 20 T 4.8420 8.3620 123.4305 61.7859 71.1136 173.3952 21 L 4.6335 8.7689 127.7300 53.9377 43.4875 176.0690 22 T 5.2198 8.4527 111.5586 60.2649 72.6122 173.7622 23 C 4.9062 8.6519 121.7459 55.4898 43.3772 172.2639 24 S 5.4322 9.3622 121.7550 56.6080 63.0742 172.4918 25 A 5.3522 9.0498 128.6514 50.1672 21.1755 177.7205 26 S 4.3447 8.7248 115.4500 60.6152 63.7472 173.8784 27 S 4.3974 7.3617 111.8452 57.4660 65.8815 173.4994 *29 S 4.3293 8.2333 115.6743 58.4336 63.6001 173.7065 30 V 4.4114 8.4512 124.4079 60.9653 33.5662 175.8778 31 S 4.1495 8.7225 121.6023 61.1003 63.4353 173.8738 32 Y 4.8206 7.4683 116.3359 55.8626 41.9716 173.8369 33 M 4.4762 8.5647 122.0306 54.0108 35.1988 174.3199 34 H 5.5504 8.7104 121.9437 53.9809 32.7092 173.1820 35 W 5.6068 9.0910 119.3658 55.3940 33.3255 174.1211 36 Y 5.3301 9.6796 120.8984 56.3037 41.7660 174.1035 37 Q 4.6680 9.2302 123.6296 54.3475 31.9881 174.1837 38 Q 4.7597 9.1051 127.0275 54.2171 31.6757 174.6524 39 K 4.5264 8.2480 125.6553 55.2232 34.0018 176.8994 40 S 4.1250 8.6420 116.3197 60.4249 62.3652 174.8047 41 G 3.9256 9.0693 114.8647 45.8397 0.0000 172.4642 42 T 4.6470 7.4747 108.5689 59.0988 71.5323 174.0405 43 S 4.3263 8.2296 117.6427 57.4081 63.5563 172.6521 44 P 4.5753 0.0000 0.0000 63.1482 31.9391 175.6548 45 K 4.6570 9.2223 124.5106 54.0902 35.1564 174.9819 46 L 4.2155 8.9355 129.7821 55.9719 42.2061 175.6223 47 L 4.5152 9.1499 126.0508 56.0126 43.9270 176.5684 48 I 5.2565 7.6679 118.4892 59.5723 41.3223 173.9181 49 Y 5.1279 8.7666 124.3496 55.3123 41.4853 175.3312 50 S 3.9951 9.8836 113.8092 60.3306 60.6760 173.2284 51 T 4.2709 9.1140 122.9643 64.1068 67.8727 174.4271 52 S 4.7953 7.6181 108.8134 57.5161 65.2329 173.2999 53 N 4.3634 8.0053 120.8517 52.9213 39.2945 173.9537 54 L 4.5974 8.4000 126.0651 54.2700 43.1849 176.3462 55 A 4.6132 9.0896 128.7835 51.4916 19.8572 176.9719 56 S 4.2647 8.5892 114.9255 59.9690 63.3161 175.0269 57 G 3.9861 8.9562 112.8047 45.2949 0.0000 173.7415 58 V 3.7665 7.2488 119.5474 61.6052 32.2934 174.0949 59 P 4.4892 0.0000 0.0000 62.7238 31.7351 177.2863 60 S 4.4570 8.6181 115.3701 59.6472 63.2491 175.1895 61 R 4.0721 7.8554 117.3477 57.2253 29.7494 175.5778 62 F 5.0432 8.0058 118.7994 56.4656 40.2472 175.3564 63 S 4.7436 9.0195 116.8667 57.0095 66.8333 172.9579 64 G 4.6135 8.7063 106.5459 43.7159 0.0000 171.5846 65 S 4.7964 8.8133 115.3494 56.5236 67.0674 173.4292 66 G 3.9929 7.9032 109.2968 44.6666 0.0000 171.5447 67 S 4.2630 7.4192 111.5796 58.2914 66.9624 177.5588 68 G 3.8488 8.0957 115.9615 47.4316 0.0000 175.2180 69 T 4.6134 8.7328 115.9683 60.9525 69.3161 173.1116 70 F 5.2486 8.3295 125.3442 57.1910 42.6900 172.9498 71 Y 5.2237 8.6551 122.8769 56.4162 42.4995 174.6150 72 S 5.1193 9.7010 117.0798 56.7694 67.8177 172.7463 73 L 4.4406 8.5588 125.6937 53.3068 44.2705 174.9698 74 T 4.8752 8.7800 123.3717 61.7177 71.6982 173.2582 75 I 4.4561 8.2306 127.2095 59.3860 38.6715 176.8165 76 S 4.0568 8.8310 123.5733 60.9793 64.6843 173.7871 77 S 4.6155 7.6093 115.4602 56.4628 64.5297 173.2290 78 V 4.0332 8.7976 128.8353 63.0267 32.4961 174.7260 79 E 5.0156 9.4284 126.1227 54.0855 33.2777 176.9229 80 A 3.9348 8.6991 124.0028 55.4163 18.4982 179.5284 81 E 4.3126 8.0501 111.3259 58.2078 29.8580 177.2130 82 D 4.6998 8.1356 118.8027 55.0752 41.1945 176.2520 83 A 4.1794 8.2058 122.8211 52.3319 18.5396 176.6100 84 A 4.3267 8.1326 123.2276 52.1210 22.5488 174.2757 85 D 5.2014 8.2320 119.0441 53.4855 43.1624 175.8234 86 Y 5.2417 8.7924 119.1321 56.4967 41.8266 174.2035 87 Y 5.4706 9.5577 120.9572 56.4525 42.0178 172.6759 88 C 4.7980 8.8618 117.2912 53.9411 44.2866 171.8190 89 H 5.1675 7.8389 117.8107 55.2903 33.1445 172.1592 90 Q 4.7556 8.7343 122.5721 54.6665 32.8784 173.1671 91 W 4.8977 8.5327 128.1539 55.5044 32.9516 174.8697 92 S 3.5967 7.4967 120.5383 57.4604 62.8113 172.3569 93 G 3.8541 6.6544 118.9893 44.7053 0.0000 171.1809 94 F 4.3147 5.9721 112.2048 55.3134 40.7986 172.2184 *96 Y 4.8498 8.0610 117.6374 58.1131 38.9248 174.8318 97 T 4.8333 8.1510 112.6041 59.9300 72.5241 172.6496 98 F 5.3957 8.7620 120.3742 55.4085 42.3618 175.3306 99 G 4.0777 9.0269 109.4888 46.0048 0.0000 174.1219 100 G 3.9068 8.8464 108.0601 46.1233 0.0000 174.9843 101 G 3.5680 8.4926 106.5224 45.8575 0.0000 172.9458 102 T 4.8318 8.3652 117.5775 61.2717 72.0650 172.9893 103 K 4.8047 9.0841 128.3241 55.4880 33.9349 175.0977 104 L 4.8459 9.2516 130.8548 54.4853 43.3782 174.6354 105 E 4.8172 9.5291 128.5921 54.5537 31.7632 174.6596 106 I 4.3176 8.9977 129.2040 61.0120 37.7237 176.6625 107 Q 4.8016 9.1258 131.4808 54.2917 27.2642 175.4327 108 R 4.0755 6.9188 120.3427 53.9912 31.4364 176.7955 109 A 4.1449 8.1073 120.6301 52.0123 18.8216 177.0939 110 D 5.1084 8.8089 121.1244 55.2090 41.7963 176.1062 111 A 4.8552 9.4588 123.4855 50.0683 22.3968 175.6049 112 A 4.6346 9.0779 124.3484 50.5025 19.4130 175.4780 113 P 4.8205 0.0000 0.0000 63.1461 32.8793 175.6567 114 T 4.5436 8.8617 118.6830 62.2260 70.2945 173.6515 115 V 4.8944 8.4120 126.6334 61.3938 33.4345 175.0024 116 S 4.7268 9.1651 122.9575 56.6896 66.7166 172.7551 117 I 4.9114 8.0107 123.3726 59.2035 40.9235 174.5315 118 F 4.6744 9.2161 126.1165 55.0717 42.5779 173.0849 119 P 4.5829 0.0000 0.0000 61.1787 32.2092 174.3984 120 P 4.5070 0.0000 0.0000 62.1054 31.8969 177.0334 121 S 4.3683 8.4845 117.4163 57.6736 64.3061 175.3329 122 S 4.1247 8.6334 117.2260 61.6802 62.3474 176.4475 123 E 3.9163 8.0606 120.8029 59.3762 29.5792 178.7004 124 Q 4.0571 8.0383 119.3827 59.1532 29.1257 178.0985 125 L 4.2803 7.8293 121.3762 57.5991 41.3846 179.5987 126 T 3.9165 7.7685 114.8974 66.5429 68.4717 175.9748 127 S 4.4675 7.8110 114.3682 58.6405 63.2665 175.0351 128 G 3.8872 8.3535 111.0159 45.2646 0.0000 173.0159 129 G 4.4247 7.6674 105.3994 44.3194 0.0000 173.1678 130 A 4.5611 8.6442 122.4963 50.8892 21.0442 174.7225 131 S 4.9200 9.3785 118.0193 57.7800 65.2673 173.5213 132 V 4.5375 8.4632 124.7816 61.1334 33.6143 174.4035 133 V 4.9737 8.7560 127.3893 61.2239 34.4873 173.2181 134 C 5.4417 9.6303 127.4588 54.9105 47.6975 172.2524 135 F 5.5314 9.1598 125.5145 56.1785 41.0175 174.9092 136 L 5.0786 9.4397 124.4351 53.4465 43.2671 174.8973 137 N 5.1527 9.3391 122.3052 51.5748 41.3618 174.8755 138 N 4.3865 8.7612 118.2255 53.8589 36.5714 173.2390 139 F 5.3619 7.7019 113.3743 55.6219 42.3389 175.3355 140 Y 5.2864 9.0084 119.8995 56.0551 42.5725 172.9999 141 P 3.2292 0.0000 0.0000 61.4431 32.8699 175.7205 142 K 3.8823 8.1513 119.7168 59.2620 32.1793 177.3502 143 D 4.4544 7.7240 117.7588 54.4031 41.6927 174.6513 144 I 4.5418 8.2592 124.3280 59.9784 41.2070 172.6106 145 N 5.2181 9.0807 126.7841 51.6978 41.3391 173.4930 146 V 4.7905 8.4236 124.8710 59.6637 34.0959 174.6521 147 K 4.5937 8.8192 125.2752 54.4016 35.2079 174.5190 148 W 5.1664 8.8644 126.8978 55.3794 31.4521 175.2477 149 K 5.0908 9.3658 123.3881 54.6276 35.6620 175.1308 150 I 4.3672 8.5648 125.1142 59.7790 39.8403 175.5273 151 D 3.9946 9.8340 127.9513 55.0425 38.9470 175.1296 152 G 3.9344 8.5156 106.8511 45.0557 0.0000 174.1667 153 S 4.7200 7.6718 116.4644 55.9942 64.8820 173.3696 154 E 4.4363 8.7594 125.6094 56.4799 29.9126 175.7626 155 R 4.6514 8.8430 126.0191 54.7208 32.1859 175.0177 156 Q 4.5643 8.7379 123.4706 56.7553 30.8938 176.0159 157 N 4.5269 7.9569 113.9726 53.5638 38.5181 175.0652 158 G 3.7998 8.9563 107.9460 45.4985 0.0000 172.1208 159 V 4.6811 7.4731 118.8302 60.8666 33.1639 174.7068 160 L 4.8501 9.0726 129.9374 53.3689 44.3439 174.6136 161 N 5.6458 8.9183 122.8597 51.6937 42.3214 173.5593 162 S 5.0586 8.9784 116.6991 56.8893 66.0508 172.6097 163 W 5.3397 9.3524 127.2150 55.5049 30.5919 176.3609 164 T 4.4160 8.8710 114.7355 61.3726 69.4583 174.0409 165 D 4.8251 8.5817 121.9594 53.3686 41.7995 176.3670 166 Q 3.3909 8.5792 121.9856 56.0199 29.6984 175.9012 167 D 4.3848 8.5191 125.3897 54.3710 41.7188 177.2278 168 S 4.3282 8.6050 121.6280 60.3198 63.4792 174.9786 169 K 4.3269 8.3666 118.3621 57.6517 33.0875 176.8477 170 D 4.6544 8.4843 114.4633 52.3080 39.8140 176.3967 171 S 3.6455 7.7638 113.9448 59.7790 61.0218 171.8923 172 T 4.5995 7.9206 111.8300 61.0230 71.1463 172.7569 173 Y 4.8362 8.6570 118.6772 56.3031 41.7835 175.2232 174 S 5.1536 8.8579 115.9073 57.3173 67.9782 173.0310 175 M 5.1765 9.5480 118.1004 53.9445 34.9001 173.5410 176 S 5.3198 9.0958 115.3559 56.6294 65.7713 172.4643 177 S 5.3925 9.2122 121.5787 55.9002 65.2420 172.4796 178 T 5.0042 9.1281 123.9487 61.7137 71.5023 172.6495 179 L 4.5235 8.3415 129.8489 53.7528 43.4656 175.0403 180 T 4.8446 8.6279 124.3497 61.8989 70.2259 174.0991 181 L 4.9451 8.6812 126.2445 52.5753 45.9851 176.3041 182 T 4.4355 8.2537 109.9260 60.9074 69.9661 175.6049 183 K 3.9808 8.6417 123.4261 59.8381 32.0054 178.8417 184 D 4.3577 8.0678 118.6420 57.4243 40.6390 178.1694 185 E 4.0150 8.2517 118.7223 59.4580 29.7025 177.9219 186 Y 4.8579 8.2729 121.0762 60.3185 38.7164 177.4520 187 E 3.9853 8.3880 117.6975 58.2735 29.6974 178.8731 188 R 4.0666 7.5971 117.3975 57.6261 30.2919 175.3560 189 H 5.0506 7.5393 113.9218 54.0950 33.0935 171.7135 190 N 4.7863 8.8651 115.8685 55.2351 41.3927 173.8070 191 S 4.9920 8.5858 114.2657 56.5038 64.3188 172.0117 192 Y 4.9344 8.6412 125.0747 56.4439 40.7047 174.8456 193 T 5.2096 9.1162 120.6532 61.7254 73.1396 170.4451 194 C 4.7887 9.0093 120.2990 53.3160 44.1300 172.5172 195 E 5.0473 8.8837 122.3412 54.3368 32.3270 174.5227 196 A 4.9569 8.9383 127.1068 50.4910 21.4925 175.3558 197 T 4.6977 8.8625 120.2057 62.0573 71.0891 173.1093 198 H 5.0314 8.5137 125.2000 53.7251 33.3937 173.7239 199 K 3.7148 8.5855 124.0702 59.8306 32.2449 178.0967 200 T 4.0829 7.9074 108.0934 64.0889 69.0311 173.6336 201 S 4.7291 7.9006 114.8508 57.2668 65.4529 174.4976 202 T 4.0858 8.4151 115.5664 63.4248 69.1417 174.8257 203 S 4.4058 8.1739 120.1545 57.3778 63.5370 172.2483 204 P 4.6139 0.0000 0.0000 62.5528 32.3653 175.7940 205 I 4.3003 8.9105 124.8014 60.0301 38.5366 174.9479 206 V 4.9076 8.3403 126.6577 60.9949 34.3842 174.7301 207 K 4.7765 8.6645 124.4428 54.9606 36.4160 175.2429 208 S 5.2903 8.5839 116.6687 57.1983 66.0027 172.3229 209 F 5.1320 8.9972 118.1137 55.8199 41.5980 172.4308 210 N 5.3751 8.8085 116.1402 51.4557 40.7045 175.5933 211 R 4.2667 9.5807 125.5882 59.3353 31.0722 177.8650 212 N 4.6206 8.5082 112.8983 53.0278 37.1546 174.8062 213 E 4.2958 8.1568 124.3683 57.1512 30.4577 175.4651 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 Q 8.34 4.23 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 2 I 7.26 3.74 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.83 0.00 0.00 3 V 9.33 3.96 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 0.96 0.00 0.00 0.94 0.00 0.00 4 L 8.51 5.15 0.00 1.69 1.50 0.82 0.60 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 9.20 4.70 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 6 Q 8.82 5.09 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 7 S 8.60 4.71 0.00 3.83 3.75 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 8 P 0.00 4.58 0.00 2.42 2.08 0.00 3.87 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 2.02 1.98 0.00 9 V 8.42 3.84 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 1.05 0.00 0.00 0.96 0.00 0.00 10 I 7.75 5.02 1.90 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 1.26 0.82 1.01 0.00 0.00 11 M 9.22 4.67 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 12 S 8.77 5.19 0.00 3.99 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.97 4.73 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 14 S 8.69 4.58 0.00 3.78 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 15 L 8.32 4.22 0.00 1.59 1.57 0.85 0.94 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 16 G 9.01 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 0.00 0.00 0.00 0.00 17 E 7.68 4.47 0.00 2.03 1.83 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 2.25 2.37 0.00 18 E 8.45 4.79 0.00 2.00 1.78 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 2.17 2.32 0.00 19 I 8.51 4.68 1.79 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 1.15 1.40 0.75 0.00 0.00 20 T 8.36 4.84 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 1.17 0.00 0.00 21 L 8.77 4.63 0.00 1.28 1.57 0.60 0.23 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 22 T 8.45 5.22 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 1.36 0.00 0.00 23 C 8.65 4.91 0.00 2.94 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 24 S 9.36 5.43 0.00 4.25 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 25 A 9.05 5.35 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 26 S 8.72 4.34 0.00 3.91 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 27 S 7.36 4.40 0.00 3.93 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 *29 S 8.23 4.33 0.00 3.92 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 30 V 8.45 4.41 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 0.49 0.00 0.00 0.94 0.00 0.00 31 S 8.72 4.15 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 108 R 6.92 4.08 0.00 1.76 1.69 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.75 0.00 109 A 8.11 4.14 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 0.00 110 D 8.81 5.11 0.00 2.69 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 0.00 111 A 9.46 4.86 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 0.00 112 A 9.08 4.63 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 0.00 113 P 0.00 4.82 0.00 2.06 1.85 0.00 3.72 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 114 T 8.86 4.54 4.31 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 1.26 0.00 0.00 115 V 8.41 4.89 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 0.72 0.00 0.00 0.88 0.00 0.00 116 S 9.17 4.73 0.00 4.15 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 0.00 117 I 8.01 4.91 1.86 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.26 0.96 0.00 0.00 118 F 9.22 4.67 0.00 2.84 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 0.00 119 P 0.00 4.58 0.00 1.63 1.42 0.00 3.46 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 120 P 0.00 4.51 0.00 1.59 1.64 0.00 3.45 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 121 S 8.48 4.37 0.00 4.16 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 0.00 122 S 8.63 4.12 0.00 4.06 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 0.00 123 E 8.06 3.92 0.00 1.91 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 2.30 2.42 0.00 124 Q 8.04 4.06 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 125 L 7.83 4.28 0.00 1.89 1.72 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.77 3.92 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 1.21 0.00 0.00 127 S 7.81 4.47 0.00 3.99 3.88 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 0.00 128 G 8.35 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 0.00 129 G 7.67 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 0.00 0.00 0.00 0.00 130 A 8.64 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 9.38 4.92 0.00 3.72 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 0.00 132 V 8.46 4.54 1.60 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 1.47 0.00 0.00 0.67 0.00 0.00 133 V 8.76 4.97 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 0.30 0.00 0.00 0.83 0.00 0.00 134 C 9.63 5.44 0.00 2.74 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 0.00 135 F 9.16 5.53 0.00 3.21 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 0.00 136 L 9.44 5.08 0.00 1.76 1.63 0.83 0.25 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 0.00 137 N 9.34 5.15 0.00 2.71 2.72 0.00 0.00 6.77 6.57 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 0.00 138 N 8.76 4.39 0.00 2.87 2.88 0.00 0.00 6.77 8.31 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 0.00 139 F 7.70 5.36 0.00 3.07 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 0.00 140 Y 9.01 5.29 0.00 3.24 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 0.00 141 P 0.00 3.23 0.00 1.78 1.46 0.00 3.81 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 1.83 1.82 0.00 142 K 8.15 3.88 0.00 0.79 1.39 0.00 1.01 0.00 0.00 1.17 0.00 0.00 2.43 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.90 0.53 7.81 143 D 7.72 4.45 0.00 2.56 2.50 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 0.00 144 I 8.26 4.54 1.55 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 0.98 0.66 0.88 0.00 0.00 145 N 9.08 5.22 0.00 2.87 2.70 0.00 0.00 6.82 7.74 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 0.00 146 V 8.42 4.79 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 0.77 0.00 0.00 0.55 0.00 0.00 147 K 8.82 4.59 0.00 1.76 1.58 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.59 7.81 148 W 8.86 5.17 0.00 3.54 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 0.00 149 K 9.37 5.09 0.00 1.62 1.62 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 150 I 8.56 4.37 1.66 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 1.15 0.70 0.34 0.00 0.00 151 D 9.83 3.99 0.00 2.61 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 0.00 152 G 8.52 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 0.00 0.00 0.00 153 S 7.67 4.72 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 0.00 154 E 8.76 4.44 0.00 1.94 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 2.34 2.52 0.00 155 R 8.84 4.65 0.00 1.75 1.85 0.00 3.38 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 156 Q 8.74 4.56 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 157 N 7.96 4.53 0.00 2.83 2.82 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.96 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 0.00 0.00 0.00 159 V 7.47 4.68 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 1.03 0.00 0.00 0.97 0.00 0.00 160 L 9.07 4.85 0.00 1.71 1.48 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.92 5.65 0.00 2.90 2.64 0.00 0.00 6.51 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 0.00 162 S 8.98 5.06 0.00 3.94 3.73 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 0.00 163 W 9.35 5.34 0.00 3.35 3.09 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 0.00 164 T 8.87 4.42 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 1.25 0.00 0.00 165 D 8.58 4.83 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.58 3.39 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.12 1.84 0.00 167 D 8.52 4.38 0.00 2.73 2.60 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 0.00 168 S 8.60 4.33 0.00 3.88 3.90 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 0.00 169 K 8.37 4.33 0.00 1.85 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 170 D 8.48 4.65 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 7.76 3.65 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.92 4.60 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 1.30 0.00 0.00 173 Y 8.66 4.84 0.00 2.28 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.86 5.15 0.00 3.70 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 0.00 175 M 9.55 5.18 0.00 1.01 1.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.72 0.00 176 S 9.10 5.32 0.00 4.24 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 0.00 177 S 9.21 5.39 0.00 3.90 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 0.00 178 T 9.13 5.00 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 1.12 0.00 0.00 179 L 8.34 4.52 0.00 0.27 0.13 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.63 4.84 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 1.14 0.00 0.00 181 L 8.68 4.95 0.00 1.61 1.59 1.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 182 T 8.25 4.44 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 1.22 0.00 0.00 183 K 8.64 3.98 0.00 1.80 1.88 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.59 7.81 184 D 8.07 4.36 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.25 4.01 0.00 1.99 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 2.39 2.49 0.00 186 Y 8.27 4.86 0.00 3.02 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 0.00 187 E 8.39 3.99 0.00 1.98 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 2.36 2.67 0.00 188 R 7.60 4.07 0.00 1.94 1.63 0.00 3.10 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 189 H 7.54 5.05 0.00 2.90 3.13 0.00 5.59 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 0.00 190 N 8.87 4.79 0.00 2.72 2.77 0.00 0.00 7.23 7.53 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 0.00 191 S 8.59 4.99 0.00 3.82 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 0.00 192 Y 8.64 4.93 0.00 1.70 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 0.00 193 T 9.12 5.21 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 1.14 0.00 0.00 194 C 9.01 4.79 0.00 1.77 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.88 5.05 0.00 1.76 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 2.11 2.11 0.00 196 A 8.94 4.96 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 0.00 197 T 8.86 4.70 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 1.18 0.00 0.00 198 H 8.51 5.03 0.00 2.98 3.02 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.59 3.71 0.00 1.64 1.62 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 200 T 7.91 4.08 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 1.37 0.00 0.00 201 S 7.90 4.73 0.00 3.82 3.73 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 0.00 202 T 8.42 4.09 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 1.21 0.00 0.00 203 S 8.17 4.41 0.00 3.84 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 0.00 204 P 0.00 4.61 0.00 1.89 1.92 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 205 I 8.91 4.30 1.81 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 1.08 0.94 0.94 0.00 0.00 206 V 8.34 4.91 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 0.81 0.00 0.00 0.88 0.00 0.00 207 K 8.66 4.78 0.00 1.61 1.59 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.52 7.81 208 S 8.58 5.29 0.00 3.80 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 0.00 209 F 9.00 5.13 0.00 3.12 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 0.00 210 N 8.81 5.38 0.00 2.87 2.94 0.00 0.00 6.41 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 9.58 4.27 0.00 1.79 1.92 0.00 2.79 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 212 N 8.51 4.62 0.00 2.88 2.89 0.00 0.00 6.84 7.19 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 0.00 213 E 8.16 4.30 0.00 2.17 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 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.