NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4648 8.1633 120.3528 55.0849 33.7073 176.2755 2 D 4.2607 8.5461 123.4883 56.8564 40.8200 177.6539 3 K 3.9688 8.8703 120.0085 59.6305 32.4943 178.9553 4 I 3.7858 7.7006 119.4727 64.0565 37.1086 178.1849 5 K 4.0094 7.9311 119.0472 59.8219 31.9303 179.0113 6 Q 3.9769 8.2259 119.4908 58.9663 28.9468 177.9829 7 L 3.8812 7.8217 121.2926 58.2539 42.1187 178.9938 8 F 4.1590 8.3710 117.4214 60.4533 38.8065 177.3500 9 A 4.0973 8.3933 120.5027 55.4536 18.2071 179.1958 10 N 4.3041 8.8574 115.2111 56.6361 38.6521 177.1916 11 N 4.4615 8.2614 118.0632 56.9316 39.1829 176.1194 12 Y 4.0321 8.6273 121.4235 60.8862 38.8660 178.0177 13 S 4.2380 8.5723 114.0018 61.2410 62.4002 176.0370 14 W 4.1015 8.4281 130.5748 60.5569 30.5618 177.8596 15 A 2.9648 8.5452 121.1082 54.7547 17.7694 179.3962 16 Q 3.5735 8.1462 118.4476 59.1896 29.1283 178.2997 17 R 4.0687 7.7636 121.0693 59.0320 29.8138 178.0878 18 M 3.7786 7.5580 117.3347 58.5894 32.1739 177.7363 19 K 3.9182 7.6432 119.2169 59.2151 32.8103 178.1408 20 E 4.0328 8.3189 117.8350 58.8316 29.2736 177.8194 21 E 3.8302 8.1878 119.1943 57.7340 30.3051 176.8284 *32 H 4.5874 8.4428 114.5111 55.9464 30.6594 173.4582 33 Q 4.1005 7.9480 120.9342 58.0601 29.8790 175.5799 34 T 4.4757 7.6135 114.5679 60.5521 70.0910 172.3835 35 P 4.7006 0.0000 0.0000 63.3709 31.9912 175.6927 36 H 4.8299 8.8852 114.6220 55.7732 30.3084 173.7888 37 Y 5.1448 8.0012 116.0594 56.1670 42.6194 173.6530 38 L 5.2390 9.2014 125.9934 53.6113 44.1433 174.7930 39 W 5.0136 10.0800 135.0000 55.9897 32.7365 174.2920 40 I 4.9182 8.7182 129.6785 59.9619 38.6465 175.1829 41 A 4.9849 8.6766 127.9618 51.1414 23.4402 173.8939 42 C 5.0264 8.6948 117.7314 58.8979 32.4440 175.0062 43 S 4.1846 8.8891 121.1338 61.6175 62.9273 176.3695 44 D 4.2489 8.6518 118.9988 56.3482 41.1849 176.8171 45 S 3.6739 7.8103 110.9246 59.5336 60.5851 171.4773 46 R 3.9661 7.4690 122.4921 58.0665 30.9548 177.2507 47 V 4.1289 8.7052 119.6316 60.5314 32.5385 174.9583 48 P 4.3253 0.0000 0.0000 62.4915 33.1639 177.1886 49 A 3.3956 8.1946 122.1061 55.1477 18.1837 180.1901 50 E 3.6653 7.6989 116.6793 59.1031 29.3184 179.3284 51 K 3.8239 7.6240 118.5614 59.4101 32.4638 178.4463 52 L 3.9196 7.5812 118.3978 57.2906 41.5889 178.7315 53 T 4.1512 7.6994 107.4762 60.5787 70.0757 173.9716 54 N 4.0424 7.8281 119.4655 54.2801 37.9818 173.6768 55 L 4.3589 7.4080 115.1871 53.4427 43.2021 177.0706 56 E 4.0889 8.3672 119.2493 55.5819 29.9948 175.2764 57 P 4.2028 0.0000 0.0000 64.2946 31.7899 177.2262 58 G 4.0544 8.8936 109.7609 45.6736 0.0000 174.0994 59 E 4.3186 8.0221 119.5939 57.9006 29.9871 176.0807 60 L 5.3314 7.7989 118.2937 53.0632 43.7736 175.5716 61 F 5.0166 9.6261 126.1429 56.6682 41.3379 174.3756 62 V 5.0329 7.9498 125.5759 61.3370 34.0282 173.7364 63 H 5.0264 9.3693 127.7902 54.4308 32.5651 172.7867 64 R 5.8010 8.4756 123.0631 53.4725 33.8052 173.9574 65 N 5.0203 8.3703 119.0644 50.4861 41.8018 173.1723 66 V 3.9563 8.2419 118.9377 63.1203 31.8850 175.2633 67 A 3.6728 9.0195 130.6684 52.9528 16.5660 176.8396 68 N 4.2060 8.1226 112.7443 55.4625 36.0897 173.5466 69 Q 4.6196 8.7564 115.4050 55.4483 30.6711 176.9266 70 V 4.1693 8.6804 121.8109 61.1239 31.8517 174.5677 71 I 3.9594 7.6603 127.3773 59.8269 38.2933 177.0336 72 H 4.1739 8.5826 122.0351 58.5754 28.6360 176.3098 73 T 4.4417 7.6558 107.0995 61.0649 69.1453 174.0361 74 D 4.7109 7.9596 123.1382 53.8071 41.4041 175.8289 75 F 3.8572 8.8840 130.3070 61.3901 39.3502 175.9492 76 N 4.4025 8.5253 116.4779 56.5968 38.8532 176.0164 77 C 3.7599 8.4248 119.5497 62.6357 31.7156 175.8620 78 L 3.8962 7.9322 120.2974 57.8423 41.1095 179.7251 79 S 4.1111 8.1215 115.1027 61.4648 62.7402 176.7657 80 V 3.7814 7.7865 120.9231 66.1254 31.1895 178.2061 81 V 3.6108 8.0320 118.0350 66.0943 31.4138 177.7557 82 Q 3.8867 8.4591 119.6873 59.2246 28.8496 177.4635 83 Y 4.0396 8.2812 120.3361 60.7055 38.8531 177.7820 84 A 3.6369 8.2970 121.7261 55.0429 18.3283 179.7715 85 V 3.4541 7.9636 116.6694 66.2222 31.5995 178.0195 86 D 4.3185 8.3363 117.2930 56.0023 40.8107 177.4504 87 V 3.9100 7.1895 116.7765 64.5722 32.4654 176.8172 88 L 3.8295 7.4838 117.3226 54.9296 41.6140 177.1445 89 K 4.1283 7.7035 115.9012 55.8271 29.6720 175.4254 90 I 3.7416 7.8376 119.0271 61.8914 37.6366 176.2251 91 E 4.7164 8.4981 121.9879 55.8384 31.3215 175.0150 92 H 5.4466 7.9214 117.3491 54.2953 33.1391 172.0348 93 I 4.8808 9.0839 125.1197 59.6066 39.6956 174.6240 94 I 4.3308 8.9824 128.4624 59.3602 39.6996 174.6092 95 I 4.4788 8.3417 128.4716 59.8308 39.1099 174.2385 96 C 5.0614 8.7992 127.7834 57.5931 34.2473 173.7805 97 G 4.2877 9.0409 114.8227 43.5712 0.0000 171.2392 98 H 5.1100 7.9742 113.8533 53.9427 31.1563 173.6156 99 T 3.9289 8.0278 110.5495 61.3040 69.8031 173.1110 100 N 4.1291 8.3717 117.5331 54.7186 37.4255 174.6679 101 C 4.5204 7.6702 117.2324 58.5785 32.9101 172.7609 102 G 3.7682 8.8433 116.1352 47.6070 0.0000 175.6593 103 G 3.6560 8.0540 107.5553 47.8402 0.0000 175.6933 104 I 3.6428 7.6148 122.1910 64.3388 37.0462 178.0910 105 H 4.1433 8.3497 117.0374 58.7925 28.2988 177.6767 106 A 4.0253 8.1894 121.6668 55.2408 18.3039 179.2328 107 A 4.1741 8.0857 118.3030 55.5594 18.5246 179.3845 108 M 4.1851 7.7768 115.6629 56.6009 32.4566 177.0052 109 A 4.3740 7.0905 121.5349 51.7537 19.3859 176.7255 110 D 4.7015 8.5683 118.8355 54.2826 41.6294 176.8201 111 K 4.0110 7.8099 118.1593 56.9916 32.4950 176.0264 112 D 4.5365 8.6500 123.5802 53.9837 40.7017 175.6155 113 L 4.4886 10.0974 127.5171 54.3722 43.3596 177.4061 114 G 4.0498 8.4601 104.8083 43.6759 0.0000 176.0457 115 L 3.9583 8.8615 120.6555 58.4232 41.9835 178.9926 116 I 3.8350 7.8220 117.7803 63.9280 37.8251 177.2223 117 N 4.4178 8.3966 117.7094 56.5054 38.0996 176.9664 118 N 4.3862 8.0642 116.9670 56.0414 38.6555 176.8864 119 W 4.3640 8.3413 129.3122 60.4439 30.9736 177.2445 120 L 4.1280 8.3248 117.1099 55.9670 41.2169 178.8541 121 L 4.0766 7.6811 119.5819 57.9123 41.5744 178.9811 122 H 4.1270 7.6069 116.1525 58.8257 28.5760 177.8503 123 I 3.8053 7.5929 121.1802 64.4082 36.9483 178.4859 124 R 4.3429 8.2439 118.9723 59.4951 29.8155 178.7690 125 D 4.4306 8.5363 119.0163 57.5194 40.7921 179.0358 126 I 3.8644 7.7957 119.9491 63.9590 36.8987 177.9639 127 W 4.5101 8.6165 128.7556 60.7837 30.5645 177.4006 128 F 4.0990 8.3628 119.0453 61.2451 38.9252 176.4823 129 K 4.0064 8.3762 118.1674 58.8595 32.1880 176.7158 130 H 4.9328 8.2565 116.0796 55.2752 29.6258 176.8194 131 G 3.6075 7.9033 109.1266 47.9277 0.0000 175.4433 132 H 4.0857 7.9494 119.3045 59.1047 30.2222 176.7175 133 L 4.0993 7.8523 121.6650 58.2268 41.7135 178.6928 134 L 4.2002 8.2625 118.9773 57.3347 41.4202 179.3130 135 G 3.8078 8.2213 104.5552 46.6077 0.0000 174.2931 136 K 4.4048 7.4375 119.4554 56.3936 32.0801 176.3521 137 L 4.9100 7.3074 118.2621 51.9324 45.4338 177.1505 138 S 4.3651 8.3452 115.4380 57.6084 64.9348 173.3050 139 P 4.1920 0.0000 0.0000 66.8319 31.4099 177.8182 140 E 3.8838 8.4079 115.9671 60.1633 29.2768 179.3372 141 K 4.0242 8.4728 118.7607 59.2422 32.2877 179.5283 142 R 3.7877 8.3687 119.7149 59.2781 29.9318 178.3313 143 A 3.7782 7.8344 120.3960 55.1568 18.4606 179.2443 144 D 4.2274 7.9546 116.8661 57.7464 40.8680 178.6758 145 M 3.9655 7.9382 118.5490 58.5905 32.3010 178.0077 146 L 3.8592 8.1716 120.8713 58.2774 42.0364 179.0476 147 T 3.7945 7.7398 115.8333 66.4451 68.4707 176.7821 148 K 3.9585 7.8377 119.7692 59.5309 32.0659 179.5300 149 I 3.6363 7.9640 120.4179 64.2053 36.9179 177.6608 150 N 4.2241 8.5510 118.3286 56.9899 38.7041 176.7762 151 V 3.5550 7.5841 118.7218 66.0173 31.6159 177.7257 152 A 4.0898 7.9378 120.0332 55.4372 18.1900 179.5378 153 E 4.1485 8.6267 117.3350 59.7176 29.4451 179.6587 154 Q 4.0108 8.6020 118.6389 58.6737 28.6182 178.9084 155 V 3.5587 7.9295 119.5538 66.0640 31.3828 177.2917 156 Y 4.1832 7.7785 117.9760 60.8941 38.6977 177.6662 157 N 4.3491 8.4477 117.5926 56.2410 38.6500 177.1106 158 L 3.9649 8.1671 122.0083 58.1102 42.0001 179.0867 159 G 3.7414 8.2219 103.9482 46.5648 0.0000 174.7974 160 R 4.3067 7.0903 118.4467 55.2654 31.0771 176.7528 161 T 3.9726 6.8138 110.3502 61.1750 69.5586 175.5866 162 S 4.0546 8.5235 118.4369 61.5980 62.8820 176.7003 163 I 3.5377 7.4987 122.8202 64.1965 36.9670 178.3658 164 V 3.0778 7.3739 118.6874 65.8026 31.2342 178.1639 165 K 3.9858 7.5701 118.0915 59.6025 31.8633 179.5500 166 S 4.0717 8.3430 115.5471 61.2942 62.6354 176.4161 167 A 3.9425 7.7455 123.4895 55.1118 18.2507 179.7267 168 W 4.3880 7.9106 117.3153 59.9963 28.8954 178.3925 169 E 4.0654 8.3662 118.7687 58.9673 29.2312 178.2530 170 R 4.3368 7.9689 113.2653 56.5195 29.9835 177.0345 171 G 4.0073 7.7614 107.8889 45.5597 0.0000 173.4194 172 Q 4.1300 8.0719 120.6736 54.9818 29.8595 175.5168 173 K 4.2415 8.5392 125.9538 56.0323 32.8056 175.4198 174 L 4.7335 8.5612 127.6936 54.2252 45.4970 173.6987 175 S 5.3434 9.5804 121.6018 56.6204 66.4208 172.8546 176 L 5.3235 9.0641 121.8463 53.5145 44.6999 175.2766 177 H 5.0381 9.1613 119.1095 54.0157 33.7295 173.0934 178 G 4.2302 8.4747 107.1836 44.6578 0.0000 171.3003 179 W 5.7774 9.1284 126.5683 54.4818 33.3676 175.1331 180 V 5.5649 9.3332 121.2049 60.2807 34.6589 173.8824 181 Y 5.5068 8.3920 123.8699 54.3667 41.5751 173.9452 182 D 4.8564 8.7152 120.4596 53.2972 42.0494 177.7700 183 V 3.9574 8.3515 120.6336 64.0382 31.6552 176.8043 184 N 4.7790 8.9949 116.2703 54.0105 38.7825 175.1983 185 D 4.6349 7.9320 113.6490 52.2486 42.9814 176.4972 186 G 3.7904 8.7784 107.6072 45.2954 0.0000 173.2366 187 F 4.3683 8.3928 120.0532 57.0490 39.9903 174.7560 188 L 4.4420 8.6637 124.4573 54.4873 42.4904 176.3913 189 V 4.3407 9.0551 124.2045 60.7612 34.2192 173.9894 190 D 5.0466 8.6990 128.3258 54.6738 41.2921 175.8969 191 Q 4.2250 9.2589 124.9291 56.4577 28.8431 176.8612 192 G 3.9957 9.4079 107.5640 45.0037 0.0000 173.9168 193 V 4.1199 7.6306 119.6750 62.2129 32.1237 175.1131 194 M 5.0345 8.9606 127.9174 53.9644 35.0285 173.9743 195 A 4.9150 8.9238 127.8228 50.2867 22.2136 176.2056 196 T 4.7103 8.3260 109.4928 59.3341 69.9273 173.9475 197 S 2.7900 5.8100 116.1000 56.3720 66.0399 177.0297 198 R 3.9607 7.3797 121.2435 59.3089 29.8079 178.1241 199 E 3.9718 7.8935 118.4315 59.4940 29.4739 179.1965 200 T 3.8665 7.6644 109.8205 64.3730 68.7308 176.2279 201 L 4.0176 7.7721 123.2325 58.1761 42.1411 178.6365 202 E 4.1894 8.1787 118.1535 59.8937 29.4560 179.7060 203 I 3.8031 7.8090 119.7645 64.3885 37.1397 178.7631 204 S 4.2108 8.4832 115.3774 61.1590 62.9035 176.0378 205 Y 3.9792 8.3132 123.5118 60.6307 38.6193 177.8349 206 R 3.6070 8.0036 118.8791 59.3485 30.1826 178.6873 207 N 4.2344 8.4213 116.1776 56.3291 38.4924 177.3154 208 A 3.9286 8.2138 122.3290 55.1693 18.4927 179.7595 209 I 3.4486 7.4560 118.0168 64.2871 36.9013 178.4085 210 A 3.8991 7.5505 120.3119 55.1504 18.3664 179.3283 211 R 3.9478 8.0229 117.0725 59.7078 30.0320 178.7839 212 L 4.0742 8.0570 117.0900 56.9720 41.6524 178.5844 213 S 4.6115 7.5215 113.1827 57.5299 63.2395 173.9610 214 I 4.0074 7.0152 124.4597 60.7187 37.3791 176.0103 215 L 4.2494 8.4497 124.5023 54.8816 41.6577 176.4902 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 M 8.16 4.46 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 D 8.55 4.26 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.87 3.97 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 4 I 7.70 3.79 2.07 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 1.66 0.92 1.08 0.00 0.00 5 K 7.93 4.01 0.00 2.02 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 6 Q 8.23 3.98 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 7 L 7.82 3.88 0.00 1.87 1.70 0.80 0.70 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 8 F 8.37 4.16 0.00 3.30 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 9 A 8.39 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.86 4.30 0.00 2.94 2.91 0.00 0.00 6.73 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 11 N 8.26 4.46 0.00 2.80 3.12 0.00 0.00 6.88 6.96 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 12 Y 8.63 4.03 0.00 3.23 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 13 S 8.57 4.24 0.00 4.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.43 4.10 0.00 3.45 3.47 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 15 A 8.55 2.96 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 16 Q 8.15 3.57 0.00 1.50 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 17 R 7.76 4.07 0.00 1.99 2.08 0.00 3.22 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 18 M 7.56 3.78 0.00 1.54 1.37 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.05 0.00 19 K 7.64 3.92 0.00 1.68 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 20 E 8.32 4.03 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 21 E 8.19 3.83 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 *32 H 8.44 4.59 0.00 3.32 3.38 0.00 5.75 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.95 4.10 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 34 T 7.61 4.48 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 35 P 0.00 4.70 0.00 2.30 2.13 0.00 3.34 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.30 0.00 36 H 8.89 4.83 0.00 2.79 2.99 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.00 5.14 0.00 2.96 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 38 L 9.20 5.24 0.00 1.97 1.67 1.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 W 10.08 5.01 0.00 3.47 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.72 4.92 1.78 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 1.23 0.50 0.95 0.00 0.00 41 A 8.68 4.98 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 42 C 8.69 5.03 0.00 3.35 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.57 4.70 0.00 2.71 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 0.00 111 K 7.81 4.01 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.46 7.81 112 D 8.65 4.54 0.00 2.66 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 0.00 113 L 10.10 4.49 0.00 1.67 1.71 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.46 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 0.00 115 L 8.86 3.96 0.00 1.78 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.82 3.83 1.89 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 1.69 1.18 0.95 0.00 0.00 117 N 8.40 4.42 0.00 3.09 2.91 0.00 0.00 6.88 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.06 4.39 0.00 2.95 2.95 0.00 0.00 6.99 7.75 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 0.00 119 W 8.34 4.36 0.00 3.47 3.34 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 0.00 120 L 8.32 4.13 0.00 1.86 1.78 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.68 4.08 0.00 1.77 1.64 0.90 1.45 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 0.00 122 H 7.61 4.13 0.00 3.12 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.59 3.81 2.08 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 1.61 0.81 0.94 0.00 0.00 124 R 8.24 4.34 0.00 2.10 2.06 0.00 3.37 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 2.06 1.86 0.00 125 D 8.54 4.43 0.00 2.88 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 0.00 126 I 7.80 3.86 2.16 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 1.52 0.73 1.04 0.00 0.00 127 W 8.62 4.51 0.00 3.34 3.48 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 0.00 0.00 0.00 128 F 8.36 4.10 0.00 2.95 3.25 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 0.00 129 K 8.38 4.01 0.00 1.97 2.14 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.47 7.81 130 H 8.26 4.93 0.00 3.30 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.95 4.09 0.00 3.09 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.85 4.10 0.00 1.78 1.85 0.95 0.64 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 0.00 134 L 8.26 4.20 0.00 2.04 1.83 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.22 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 0.00 0.00 0.00 0.00 136 K 7.44 4.40 0.00 1.90 1.82 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.32 7.81 137 L 7.31 4.91 0.00 1.75 1.50 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.35 4.37 0.00 4.05 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 0.00 139 P 0.00 4.19 0.00 2.04 2.21 0.00 3.71 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 2.06 2.26 0.00 140 E 8.41 3.88 0.00 1.99 1.91 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 2.40 2.41 0.00 141 K 8.47 4.02 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 142 R 8.37 3.79 0.00 1.96 1.98 0.00 2.94 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.71 0.00 143 A 7.83 3.78 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 0.00 144 D 7.95 4.23 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.94 3.97 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 146 L 8.17 3.86 0.00 1.59 1.58 0.91 0.35 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 0.00 147 T 7.74 3.79 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 1.10 0.00 0.00 148 K 7.84 3.96 0.00 1.95 1.95 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.60 7.81 149 I 7.96 3.64 1.80 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 1.28 0.76 0.68 0.00 0.00 150 N 8.55 4.22 0.00 2.86 3.00 0.00 0.00 6.87 7.75 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 0.00 151 V 7.58 3.55 2.23 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 0.95 0.00 0.00 0.94 0.00 0.00 152 A 7.94 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.63 4.15 0.00 2.20 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 2.64 2.63 0.00 154 Q 8.60 4.01 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 155 V 7.93 3.56 2.32 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 1.15 0.00 0.00 0.96 0.00 0.00 156 Y 7.78 4.18 0.00 2.77 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.45 4.35 0.00 2.88 2.84 0.00 0.00 6.69 6.35 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 0.00 158 L 8.17 3.96 0.00 1.79 1.83 0.84 1.30 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 0.00 159 G 8.22 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 0.00 0.00 0.00 160 R 7.09 4.31 0.00 1.49 1.75 0.00 2.21 0.00 0.00 2.67 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.00 161 T 6.81 3.97 4.11 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 1.18 0.00 0.00 162 S 8.52 4.05 0.00 4.00 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 0.00 163 I 7.50 3.54 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.80 0.00 0.00 164 V 7.37 3.08 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 -0.38 0.00 0.00 0.66 0.00 0.00 165 K 7.57 3.99 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.64 7.81 166 S 8.34 4.07 0.00 3.93 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 0.00 167 A 7.75 3.94 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 0.00 168 W 7.91 4.39 0.00 3.62 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 0.00 169 E 8.37 4.07 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 170 R 7.97 4.34 0.00 2.02 2.03 0.00 3.07 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 171 G 7.76 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 0.00 0.00 0.00 172 Q 8.07 4.13 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 173 K 8.54 4.24 0.00 1.86 1.68 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.46 7.81 174 L 8.56 4.73 0.00 1.78 1.59 0.94 0.65 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 0.00 175 S 9.58 5.34 0.00 3.94 4.07 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 0.00 176 L 9.06 5.32 0.00 1.63 1.59 1.05 0.92 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 0.00 177 H 9.16 5.04 0.00 2.17 2.69 0.00 5.56 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 0.00 178 G 8.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 W 9.13 5.78 0.00 3.27 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 0.00 180 V 9.33 5.56 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 1.04 0.00 0.00 0.95 0.00 0.00 181 Y 8.39 5.51 0.00 3.26 3.12 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 0.00 0.00 0.00 0.00 182 D 8.72 4.86 0.00 2.78 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 0.00 183 V 8.35 3.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 184 N 8.99 4.78 0.00 2.85 2.90 0.00 0.00 6.74 7.99 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 0.00 185 D 7.93 4.63 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.78 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 0.00 187 F 8.39 4.37 0.00 3.26 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 0.00 188 L 8.66 4.44 0.00 1.37 1.37 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 189 V 9.06 4.34 2.23 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 1.05 0.00 0.00 1.03 0.00 0.00 190 D 8.70 5.05 0.00 2.73 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 0.00 191 Q 9.26 4.23 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.56 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 192 G 9.41 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 0.00 193 V 7.63 4.12 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 0.96 0.00 0.00 1.04 0.00 0.00 194 M 8.96 5.03 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 195 A 8.92 4.91 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 0.00 196 T 8.33 4.71 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 1.23 0.00 0.00 197 S 5.81 2.79 0.00 3.54 3.47 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 0.00 198 R 7.38 3.96 0.00 2.14 1.97 0.00 3.48 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 199 E 7.89 3.97 0.00 1.96 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 2.38 2.34 0.00 200 T 7.66 3.87 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 1.12 0.00 0.00 201 L 7.77 4.02 0.00 2.03 2.03 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.18 4.19 0.00 2.25 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 2.46 2.60 0.00 203 I 7.81 3.80 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 1.59 0.83 0.91 0.00 0.00 204 S 8.48 4.21 0.00 4.21 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 0.00 205 Y 8.31 3.98 0.00 3.09 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 0.00 206 R 8.00 3.61 0.00 2.01 1.91 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 207 N 8.42 4.23 0.00 2.86 2.85 0.00 0.00 6.98 6.65 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 0.00 208 A 8.21 3.93 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 0.00 209 I 7.46 3.45 1.50 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.29 0.83 0.00 0.00 210 A 7.55 3.90 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 0.00 211 R 8.02 3.95 0.00 2.00 1.91 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 212 L 8.06 4.07 0.00 1.65 1.67 0.90 0.80 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 0.00 213 S 7.52 4.61 0.00 3.97 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 0.00 214 I 7.02 4.01 1.96 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 1.28 0.62 0.90 0.00 0.00 215 L 8.45 4.25 0.00 1.62 1.56 0.91 0.88 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 * Residues marked with a * may have inaccurate shift predictions.