NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3809 0.0000 0.0000 62.5668 32.6849 177.7124 5 E 4.2904 7.9791 112.1100 56.2454 29.3567 176.8552 6 A 4.5564 9.0724 123.8731 51.7485 22.0447 177.9817 7 A 4.2235 7.9628 115.9541 52.8615 18.5666 179.0455 8 I 3.7274 7.2914 120.0504 64.2079 37.6055 178.4261 9 S 4.2892 7.9222 114.4097 61.3398 62.5379 176.3226 10 R 3.5747 7.6645 121.9886 58.9031 29.8619 178.2708 11 L 3.6728 7.2724 118.6085 57.5505 41.7207 179.4006 12 I 3.6658 8.0716 120.1294 64.6014 37.0241 178.5835 13 T 3.8294 7.6603 116.4806 66.9251 68.3633 176.1899 14 Y 4.3875 7.7862 118.8371 61.0235 37.7641 178.6688 15 L 3.9266 8.0997 121.1562 58.1200 42.1349 178.5579 16 R 3.8687 7.7607 118.1459 59.9921 30.0355 178.1856 17 I 4.0744 7.7455 120.4460 63.7679 37.2012 178.0492 18 L 4.2207 7.8621 118.7727 56.6885 41.4980 178.4136 19 E 4.3225 8.4460 118.2584 57.5440 29.4670 177.8736 20 E 4.2563 7.8041 117.8471 58.0281 30.8309 177.8574 21 L 4.0028 7.9423 120.6763 56.9298 42.0247 177.6419 22 E 4.4356 7.7660 116.3382 56.8917 30.7273 177.4416 23 A 4.0323 7.5901 121.6753 54.6042 18.5481 177.9027 24 Q 4.3568 8.5810 112.6256 55.6020 28.8121 176.6009 25 G 3.8284 8.2861 102.1924 47.6149 0.0000 173.7168 26 V 4.4189 7.8197 126.7365 63.2644 31.6933 176.5340 27 H 3.9491 7.2086 124.1071 55.9204 32.3753 174.6095 28 R 5.0157 7.9386 114.4950 54.8668 33.9670 174.5222 29 T 4.9180 8.9259 115.1220 60.9446 71.9366 171.9381 30 S 5.0923 8.7214 116.0455 56.0357 65.5469 175.3665 31 S 4.0171 9.2046 121.3065 61.6426 62.9266 176.9319 32 E 3.9068 8.1817 121.7076 59.1790 29.2335 178.7091 33 Q 3.9493 8.3288 119.7587 59.5343 29.0853 177.8092 34 L 4.0406 8.1166 119.2796 58.4097 41.5860 179.8199 35 G 3.9973 8.7374 106.8487 46.8550 0.0000 175.2699 36 E 3.9278 8.1581 121.8021 59.5434 29.5673 178.9510 37 L 4.1139 7.9726 117.1495 57.1986 41.7524 178.7515 38 A 4.2241 8.0657 119.9570 52.2908 19.2998 176.7560 39 Q 3.6598 8.6916 113.6403 56.4177 26.2073 174.2989 40 V 4.5365 8.4301 110.3926 58.8487 36.4201 174.7308 41 T 4.1244 8.7058 114.2936 61.8521 70.1593 174.9022 42 A 4.0201 8.7048 124.1746 54.9182 18.4493 179.8812 43 F 4.2345 8.3199 119.1994 61.8538 39.5275 177.0750 44 Q 3.5083 8.0466 118.4899 58.7521 28.8311 178.1182 45 V 4.0235 7.4471 121.0533 65.5271 31.4935 178.1805 46 R 4.0787 7.6791 117.1068 58.5998 29.7718 178.5795 47 K 3.7278 7.4382 118.9851 59.5882 31.7804 178.2581 48 D 4.7288 8.2091 118.8606 57.3343 40.8912 178.7107 49 L 4.2079 7.9680 119.6292 58.0199 41.6622 179.8665 50 S 4.5513 8.5238 114.0965 61.4564 62.8443 175.5588 51 Y 4.4008 7.7801 121.3313 59.3523 38.4464 176.1641 52 F 4.5398 7.8083 117.4036 57.1815 40.1119 175.0260 53 G 3.8125 8.2622 106.3882 46.7278 0.0000 176.0333 54 S 4.8562 8.0190 116.5040 56.2201 61.4725 173.7913 55 Y 4.7040 7.7359 120.1639 57.9051 40.0268 177.9106 *61 G 3.8948 7.8278 108.3070 46.3074 0.0000 175.0972 62 Y 4.9710 9.2459 122.5041 56.0380 42.2041 173.6586 63 T 4.5692 8.9069 119.4526 63.7741 69.3343 176.7576 64 V 3.3993 8.4240 128.0769 64.8783 32.6124 176.5570 65 P 4.2424 0.0000 0.0000 65.9496 31.1264 178.2739 66 V 3.6732 7.8312 117.8327 65.5807 31.2915 177.3428 67 L 4.1047 8.3398 119.9010 57.0481 41.8593 178.8076 68 K 3.8863 7.7725 119.6273 59.4646 32.1004 178.5615 69 R 3.8840 8.3809 119.4013 59.5611 29.7970 178.2793 70 E 4.0042 7.9241 118.0095 59.5097 29.5517 179.0257 71 L 4.0192 8.3095 120.6928 58.2641 41.9984 179.2317 72 R 3.9180 8.2783 118.2448 59.4961 29.9960 178.8163 73 H 4.1464 8.0358 116.0372 58.8229 28.5273 177.5150 74 I 3.6394 7.4293 120.3121 64.7519 36.9143 177.3157 75 L 4.1589 7.8386 116.5275 54.6519 41.6581 177.1374 76 G 4.1346 8.1740 107.2866 46.7122 0.0000 174.7684 77 L 4.3216 8.3480 119.3243 55.6828 42.2380 177.5628 78 N 4.7606 7.9297 115.7871 53.0185 38.3495 175.5807 79 R 4.1666 7.3074 113.6531 54.4156 31.0032 173.8283 80 K 3.5236 7.5927 121.3887 56.4097 29.5096 174.6464 81 W 4.3340 8.5376 123.2565 55.8942 31.0949 174.8419 82 G 4.7028 9.1378 109.1416 44.2053 0.0000 173.1878 83 L 6.0842 9.0498 124.6410 52.6420 45.7682 174.7523 84 C 5.2897 7.9487 110.7953 58.7209 32.5470 172.7174 85 I 4.8305 7.8991 121.3827 59.6603 39.8384 174.5656 86 V 4.6884 8.5911 127.6809 65.1430 32.7647 174.2373 87 G 4.3272 8.8406 114.8243 43.7170 0.0000 172.1484 *89 G 4.0369 8.3011 106.6555 45.2998 0.0000 174.8897 90 R 3.8450 8.6503 117.7962 59.2199 30.2135 178.3995 91 L 3.9611 7.8729 119.6145 58.2234 42.2399 178.8721 92 G 3.9368 7.9560 106.4336 47.2632 0.0000 175.5555 93 S 4.0956 8.0545 116.9064 61.4235 62.9564 176.6102 94 A 4.1188 7.9869 123.3994 55.1936 17.8742 179.6688 95 L 4.1420 8.2705 116.7593 57.9747 41.7905 179.0714 96 A 4.2601 8.0768 119.7559 55.3407 18.2715 179.1717 97 D 4.6450 7.8290 115.0092 56.4882 41.0882 176.2044 98 Y 4.4429 7.9636 121.6596 57.0539 38.6245 175.0240 99 P 4.5400 0.0000 0.0000 63.7060 31.6169 178.1460 100 G 2.8586 5.4287 107.5062 48.1283 0.0000 173.9683 101 F 4.1435 7.4763 118.6559 57.3154 39.3312 175.6349 102 G 4.0755 8.6228 120.1554 45.8551 0.0000 173.5297 103 E 4.6288 8.8204 125.0759 56.6600 29.9013 176.5101 104 S 4.5997 8.0809 113.8424 58.3257 65.4403 173.7627 105 F 5.1522 8.2337 118.3843 56.4351 41.9461 173.1405 106 E 4.6307 9.4400 126.8713 53.9768 31.3043 175.1288 107 L 4.2177 8.4499 127.7299 54.9243 42.1072 177.1823 108 R 4.6251 8.6563 121.2924 54.9469 32.9002 175.2151 109 G 3.9166 6.7926 103.6823 45.6912 0.0000 172.9371 110 F 5.0374 7.4139 120.7574 55.4167 42.8534 173.7372 111 F 5.4369 9.4205 122.6191 56.0006 42.7096 173.8226 112 D 5.1015 9.5207 120.8123 53.6964 44.7926 175.8121 113 V 3.8589 8.3354 119.5797 61.4752 32.9229 175.3966 114 D 4.5109 8.7593 122.3372 53.0581 40.9975 174.4745 115 P 4.2800 0.0000 0.0000 65.8950 31.6158 178.4453 116 E 3.9137 8.5099 115.9689 59.2885 29.7570 178.4067 117 K 4.0995 8.3019 117.9764 58.4418 32.6498 177.4960 118 V 3.8190 7.0569 118.3802 64.3880 31.5223 175.0604 119 G 4.0245 8.7840 116.3606 45.8901 0.0000 174.2681 120 R 3.8440 8.2510 121.6852 55.5491 30.3663 173.9356 121 P 4.7330 0.0000 0.0000 62.7295 32.2215 175.4738 122 V 4.2581 8.3760 120.9364 60.1238 34.5708 176.1026 123 R 3.9104 8.3758 118.3210 58.1677 28.5456 176.2029 124 G 4.1977 7.3432 104.4962 46.0279 0.0000 174.5583 125 G 4.2917 8.1226 102.5598 45.6505 0.0000 173.1644 126 V 4.9727 8.7780 109.0019 59.6137 37.0931 175.1200 127 I 4.0323 8.4201 123.6708 61.6479 38.1585 175.6508 128 E 4.9788 9.2741 126.0401 54.6629 33.2383 174.6942 129 H 5.6546 8.5189 119.4016 54.7072 31.0729 176.4980 130 V 3.8249 8.3147 118.4111 64.3848 31.7828 177.8067 131 D 4.3730 8.6828 118.7324 57.6133 40.9594 177.7518 132 L 4.5338 7.8019 115.8113 56.1814 40.4308 178.4013 133 L 3.6891 8.0576 122.2330 57.9556 41.3678 177.4437 134 P 4.2564 0.0000 0.0000 65.2754 31.1865 177.6019 135 Q 4.4044 7.8152 114.7225 57.6775 29.9238 177.6949 136 R 4.1535 8.2066 117.9698 58.6714 30.3024 178.3968 137 V 3.9376 7.8949 119.2926 62.8090 31.5301 173.2975 138 P 4.2514 0.0000 0.0000 64.7613 31.2247 174.8620 139 G 4.1914 9.2457 111.3869 44.9681 0.0000 173.8570 140 R 4.4304 8.4566 117.6167 56.7247 31.7744 176.1517 141 I 4.9530 7.6477 116.7504 59.5345 39.9362 174.7284 142 E 4.7237 9.4558 123.6211 56.6330 32.9136 175.9857 143 I 5.2273 7.9208 118.7481 59.3677 40.5980 174.7852 144 A 5.2157 8.7749 126.5169 50.2578 22.7760 175.0855 145 L 4.9084 8.8123 122.8404 53.4428 43.2458 175.9919 146 L 4.4757 9.0003 128.7038 54.0579 43.0065 176.8967 147 T 4.6642 8.4894 119.9828 61.6019 68.7567 174.6164 148 V 4.2801 7.9081 114.1135 59.9619 33.9659 174.3010 149 P 4.4499 0.0000 0.0000 62.6913 31.4529 177.9306 150 R 3.9466 8.6950 117.8153 59.7677 28.9611 178.8674 151 E 4.0603 8.3004 117.1571 58.1164 29.7389 177.7865 152 A 4.5680 8.0702 119.5594 52.2594 20.4341 178.2079 153 A 3.9370 7.4540 119.1694 55.6885 18.2593 179.6703 154 Q 3.8820 8.0028 117.0472 59.4372 29.3693 178.4357 155 K 4.1398 8.0525 118.5159 59.0050 32.0992 179.0639 156 A 4.0372 8.0170 121.3577 54.8432 18.4346 179.4701 157 A 3.9917 8.3820 119.7835 55.2805 18.2855 179.3496 158 D 4.2462 8.2959 117.7513 57.5081 40.9379 178.6119 159 L 3.9337 7.8584 119.0522 58.3073 41.8100 179.9281 160 L 3.9471 7.9306 118.3613 57.6399 41.3666 179.9221 161 V 3.5734 7.7718 118.1345 65.8986 31.3153 177.9182 162 A 3.9495 8.0811 119.4098 55.0344 18.2786 178.8217 163 A 4.1933 7.6992 117.1226 52.9243 18.6153 178.1154 164 G 3.8326 8.0620 105.7390 45.4819 0.0000 173.9119 165 I 3.9275 7.5191 118.9013 60.6984 38.6453 175.5775 166 K 4.5012 8.7758 124.5843 57.3004 34.6005 176.5043 167 G 4.9331 7.6816 105.4191 45.7951 0.0000 172.0166 168 I 5.1777 8.1578 122.8522 58.9540 41.6688 173.9979 169 L 4.6917 9.1108 130.5551 54.2064 42.4221 175.2002 170 N 5.0816 9.4279 124.7291 52.8623 39.7562 175.3316 171 F 4.8417 9.0416 123.6260 57.9140 41.3767 176.4041 172 A 4.1676 8.1055 121.9753 51.4003 19.0489 177.0192 173 P 4.7054 0.0000 0.0000 61.6987 29.1437 175.7714 174 V 4.3256 7.0565 116.8996 60.5797 34.4175 175.1428 175 V 4.0936 7.9821 121.3369 60.8137 30.9456 175.4832 176 L 4.2066 8.2859 126.8779 54.9592 42.0662 177.1236 177 E 4.5576 8.8800 121.6881 54.8894 30.2648 176.0036 178 V 4.5858 7.8763 115.8085 58.5233 36.1751 173.7507 179 P 4.4265 0.0000 0.0000 62.2783 31.8683 177.8423 180 K 3.8833 8.8995 121.9126 59.8457 32.0155 178.0889 181 E 3.9826 8.1535 114.2729 57.9190 29.7820 176.3682 182 V 4.4175 7.9828 120.4697 61.1580 32.2308 175.4703 183 A 4.3494 8.9386 131.1092 52.0010 19.7640 176.1899 184 V 4.8371 8.0994 118.6702 61.2897 35.1140 174.2546 185 E 4.6219 8.9695 126.4139 54.6900 32.3185 175.1192 186 N 5.1270 8.7057 121.9985 52.7815 40.3371 174.9708 187 V 4.4042 8.0340 120.3647 61.9736 34.8810 172.9492 188 D 4.7586 8.2459 125.7949 52.1483 42.3881 174.9573 189 F 4.4490 9.1052 113.7901 59.5681 38.9097 178.5952 190 L 3.2960 6.1526 120.9983 57.2067 41.9911 178.8383 191 A 4.0172 7.7666 120.5658 55.2955 17.9687 179.6859 192 G 3.7404 8.3971 103.0817 46.5407 0.0000 175.5799 193 L 3.9884 7.9288 123.3171 58.4221 42.2342 178.8412 194 T 3.9731 7.7670 115.2801 66.4170 68.4501 176.6048 195 R 4.0112 8.1604 120.4909 58.6966 29.9131 178.1749 196 L 4.2162 7.3713 119.8138 57.8985 42.2996 178.0688 197 S 4.0766 7.9433 113.1062 61.7212 62.1229 176.0936 198 F 4.0124 8.4498 122.7234 60.8989 39.0211 177.3062 199 A 4.1034 7.5993 117.8608 54.6038 18.1599 179.5596 200 I 3.8529 7.5843 118.1060 64.5768 37.5284 178.3126 201 L 4.0689 7.3762 117.8542 56.1554 42.6999 177.4251 202 N 4.7180 7.0702 115.6515 49.9829 38.2682 171.9893 203 P 4.3601 0.0000 0.0000 65.5450 32.5009 178.6045 204 K 4.4659 7.8460 115.6036 56.7026 30.8841 176.5165 205 W 4.8273 7.7801 132.1324 58.3613 30.9809 174.3351 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 4 P 0.00 4.38 0.00 1.97 1.85 0.00 3.66 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 0.67 1.73 0.00 5 E 7.98 4.29 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 6 A 9.07 4.56 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 7 A 7.96 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.73 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.45 0.87 0.00 0.00 9 S 7.92 4.29 0.00 3.97 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 10 R 7.66 3.57 0.00 1.85 1.57 0.00 3.53 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.00 11 L 7.27 3.67 0.00 1.73 1.56 0.58 1.31 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 12 I 8.07 3.67 1.92 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 1.47 1.13 0.87 0.00 0.00 13 T 7.66 3.83 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 1.23 0.00 0.00 14 Y 7.79 4.39 0.00 3.04 2.83 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 15 L 8.10 3.93 0.00 1.78 1.82 0.93 0.65 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 16 R 7.76 3.87 0.00 2.09 2.06 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 17 I 7.75 4.07 2.10 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 1.87 2.14 0.92 0.00 0.00 18 L 7.86 4.22 0.00 1.90 1.70 0.87 0.89 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 19 E 8.45 4.32 0.00 2.11 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 2.32 2.56 0.00 20 E 7.80 4.26 0.00 2.14 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 2.42 2.30 0.00 21 L 7.94 4.00 0.00 2.14 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.77 4.44 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 23 A 7.59 4.03 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 24 Q 8.58 4.36 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 25 G 8.29 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 0.00 0.00 0.00 26 V 7.82 4.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 27 H 7.21 3.95 0.00 3.30 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.94 5.02 0.00 1.76 1.82 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 29 T 8.93 4.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 30 S 8.72 5.09 0.00 3.93 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 31 S 9.20 4.02 0.00 4.28 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 0.00 32 E 8.18 3.91 0.00 2.10 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 2.42 2.45 0.00 33 Q 8.33 3.95 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 34 L 8.12 4.04 0.00 1.72 1.38 0.53 0.73 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 35 G 8.74 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 36 E 8.16 3.93 0.00 2.27 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 2.32 2.50 0.00 37 L 7.97 4.11 0.00 1.67 1.72 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.07 4.22 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.69 3.66 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 40 V 8.43 4.54 2.18 0.00 0.00 0.00 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4.73 0.00 2.15 1.98 0.00 3.70 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 1.92 1.90 0.00 122 V 8.38 4.26 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 0.19 0.00 0.00 0.53 0.00 0.00 123 R 8.38 3.91 0.00 1.94 2.03 0.00 3.06 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 124 G 7.34 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 0.00 0.00 0.00 125 G 8.12 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 0.00 0.00 0.00 0.00 126 V 8.78 4.97 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 0.64 0.00 0.00 0.90 0.00 0.00 127 I 8.42 4.03 2.00 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 0.64 0.90 0.00 0.00 128 E 9.27 4.98 0.00 1.60 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 129 H 8.52 5.65 0.00 3.22 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.31 3.82 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 0.72 0.00 0.00 0.93 0.00 0.00 131 D 8.68 4.37 0.00 2.69 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.80 4.53 0.00 2.09 1.95 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.06 3.69 0.00 1.59 1.58 0.70 0.30 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 0.00 134 P 0.00 4.26 0.00 2.00 2.13 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 135 Q 7.82 4.40 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 136 R 8.21 4.15 0.00 1.86 2.19 0.00 3.40 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 137 V 7.89 3.94 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 1.21 0.00 0.00 0.86 0.00 0.00 138 P 0.00 4.25 0.00 2.21 2.11 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 139 G 9.25 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 0.00 0.00 0.00 0.00 140 R 8.46 4.43 0.00 2.05 1.98 0.00 3.09 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 141 I 7.65 4.95 1.90 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 1.47 0.67 0.97 0.00 0.00 142 E 9.46 4.72 0.00 2.25 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 2.47 2.42 0.00 143 I 7.92 5.23 2.01 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.04 0.95 0.00 0.00 144 A 8.77 5.22 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 0.00 145 L 8.81 4.91 0.00 1.69 1.62 1.15 0.60 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 0.00 146 L 9.00 4.48 0.00 1.84 1.67 1.00 0.54 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 0.00 147 T 8.49 4.66 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 0.57 0.00 0.00 148 V 7.91 4.28 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 0.80 0.00 0.00 0.94 0.00 0.00 149 P 0.00 4.45 0.00 2.19 2.06 0.00 3.62 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 2.13 2.10 0.00 150 R 8.70 3.95 0.00 2.05 2.23 0.00 2.98 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 151 E 8.30 4.06 0.00 1.95 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 0.00 2.32 2.45 0.00 152 A 8.07 4.57 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 0.00 153 A 7.45 3.94 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 0.00 154 Q 8.00 3.88 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 155 K 8.05 4.14 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.75 1.45 7.81 156 A 8.02 4.04 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 0.00 157 A 8.38 3.99 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 0.00 158 D 8.30 4.25 0.00 2.88 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 0.00 159 L 7.86 3.93 0.00 1.83 1.70 0.92 0.66 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 0.00 160 L 7.93 3.95 0.00 1.79 1.69 0.83 0.66 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 0.00 161 V 7.77 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 162 A 8.08 3.95 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 0.00 163 A 7.70 4.19 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 0.00 164 G 8.06 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 0.00 0.00 0.00 165 I 7.52 3.93 2.02 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 1.29 0.84 0.94 0.00 0.00 166 K 8.78 4.50 0.00 1.82 1.87 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 167 G 7.68 4.93 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 0.00 168 I 8.16 5.18 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.91 0.00 0.00 169 L 9.11 4.69 0.00 1.76 1.88 0.97 0.32 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 0.00 170 N 9.43 5.08 0.00 2.84 2.82 0.00 0.00 6.76 8.34 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 0.00 171 F 9.04 4.84 0.00 3.06 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 0.00 172 A 8.11 4.17 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 0.00 173 P 0.00 4.71 0.00 2.07 2.06 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 174 V 7.06 4.33 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 0.68 0.00 0.00 0.94 0.00 0.00 175 V 7.98 4.09 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 0.84 0.00 0.00 0.92 0.00 0.00 176 L 8.29 4.21 0.00 1.67 1.60 0.94 0.95 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 0.00 177 E 8.88 4.56 0.00 2.06 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 2.24 2.28 0.00 178 V 7.88 4.59 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 0.74 0.00 0.00 0.93 0.00 0.00 179 P 0.00 4.43 0.00 2.20 2.04 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 2.11 2.10 0.00 180 K 8.90 3.88 0.00 1.74 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 181 E 8.15 3.98 0.00 2.09 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 0.00 2.28 2.25 0.00 182 V 7.98 4.42 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 0.76 0.00 0.00 1.01 0.00 0.00 183 A 8.94 4.35 1.20 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 0.00 0.00 184 V 8.10 4.84 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 0.92 0.00 0.00 185 E 8.97 4.62 0.00 1.82 1.70 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 2.14 2.30 0.00 186 N 8.71 5.13 0.00 2.53 2.66 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.03 4.40 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 0.35 0.00 0.00 0.70 0.00 0.00 188 D 8.25 4.76 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 F 9.11 4.45 0.00 3.33 3.31 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 0.00 190 L 6.15 3.30 0.00 1.57 1.46 0.69 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.77 4.02 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 0.00 192 G 8.40 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 0.00 193 L 7.93 3.99 0.00 1.84 1.71 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 194 T 7.77 3.97 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 0.00 195 R 8.16 4.01 0.00 2.10 2.15 0.00 3.12 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 196 L 7.37 4.22 0.00 2.10 1.80 0.96 0.79 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 0.00 197 S 7.94 4.08 0.00 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 0.00 198 F 8.45 4.01 0.00 3.15 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 0.00 199 A 7.60 4.10 1.59 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 0.00 0.00 200 I 7.58 3.85 1.98 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 1.53 0.75 0.88 0.00 0.00 201 L 7.38 4.07 0.00 1.25 1.55 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 202 N 7.07 4.72 0.00 1.63 2.09 0.00 0.00 6.96 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 0.00 203 P 0.00 4.36 0.00 2.03 2.16 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 204 K 7.85 4.47 0.00 1.96 1.93 0.00 1.45 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.50 7.81 205 W 7.78 4.83 0.00 3.58 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.