NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 P 4.2998 0.0000 0.0000 61.8935 32.6201 175.5052 15 L 3.7742 8.2808 118.6722 53.1013 41.6850 175.2131 16 S 4.7291 8.3177 118.2252 55.7647 66.9942 174.1992 17 R 3.8659 8.2407 118.8552 59.5470 29.6847 177.7242 18 E 3.9304 8.2174 117.7037 59.6580 29.4184 179.4945 19 R 3.8976 7.7738 117.9821 59.4815 30.2415 178.3120 20 I 3.6293 7.4890 119.0290 64.5502 37.1617 178.5116 21 V 3.6206 7.9663 118.7625 66.0509 31.4274 178.0568 22 G 3.7049 8.7252 105.7880 47.8773 0.0000 175.3837 23 A 3.9429 8.2873 122.9559 54.9238 18.4290 179.5961 24 A 3.8223 7.8492 119.2746 55.0486 18.2915 180.0002 25 V 3.2207 7.8237 116.7419 66.1686 31.7441 177.9236 26 E 3.9785 8.1079 118.2011 59.5970 29.3463 179.5622 27 L 3.9300 7.8847 118.6751 57.8163 41.5493 179.5541 28 L 3.9533 8.1894 119.1592 57.7718 41.0438 179.3990 29 D 4.6325 8.3011 118.8196 56.8251 40.8193 178.2072 30 T 4.2736 7.5714 108.9171 63.8904 69.8026 176.8637 31 V 4.1561 8.1279 112.8894 60.3646 32.3868 177.0282 32 G 3.8584 8.0740 107.7747 43.7380 0.0000 173.1670 33 E 3.8178 8.5742 117.9868 59.3930 29.7586 179.6087 34 R 3.7185 8.1224 116.6410 59.2555 30.1710 178.0401 35 G 3.6169 7.4767 103.6226 46.3852 0.0000 173.7080 36 L 4.1875 8.2096 123.3377 54.1116 40.8917 175.8928 37 T 4.7674 7.7636 115.5768 58.6242 73.2938 174.3252 38 F 3.9816 8.7167 122.6845 61.4224 39.3708 177.1991 39 R 3.8777 8.1624 114.8816 59.2376 29.2147 178.2189 40 A 4.0565 7.7941 121.5275 54.6639 18.4047 179.3030 41 L 3.7400 8.0704 118.6636 58.2023 42.0549 178.9055 42 A 3.7969 8.0183 121.2620 54.9425 18.2289 179.4162 43 E 3.8819 8.6442 116.2857 59.8982 29.5433 179.7206 44 R 3.9117 7.9548 118.1748 58.0599 30.1317 178.3227 45 L 4.1411 7.7820 116.9414 54.1170 42.5213 176.1952 46 A 3.7714 7.8891 121.0027 53.5346 16.5575 176.5242 47 T 4.7052 7.5006 115.0402 61.8077 73.1865 174.9480 48 G 3.7483 8.5095 112.8031 44.9079 0.0000 173.1851 49 P 4.4102 0.0000 0.0000 65.3851 31.4891 177.2650 50 G 4.0489 8.2042 106.0111 45.9087 0.0000 173.7303 51 A 4.7698 8.2551 119.7180 51.9640 20.9307 177.9207 52 I 4.0614 7.9595 118.1520 62.9560 37.6579 177.2759 53 Y 4.3473 7.8506 118.0875 58.8224 38.1081 177.1471 54 W 4.0186 6.9684 119.9385 58.9418 29.1694 176.5168 55 H 4.9594 7.9892 112.5794 55.3501 29.1639 172.9514 56 I 4.8580 7.5201 119.3387 59.7958 41.4140 173.7931 57 T 4.4482 8.3479 109.0129 60.8079 70.0170 175.5091 58 G 4.4800 8.1303 106.5549 41.0000 0.0000 172.8306 59 K 3.9708 8.4435 119.7496 59.2904 32.3356 178.3347 60 A 4.0044 8.0528 120.6337 55.5455 18.1355 179.3695 61 E 4.0257 8.1221 116.3436 59.1958 29.6143 179.1519 62 L 3.9949 7.7510 120.3278 57.9754 42.0770 178.9184 63 L 4.0448 8.3361 119.5246 57.6931 41.4553 179.7546 64 G 3.6226 8.0904 105.0443 47.8294 0.0000 175.6982 65 A 4.0299 8.1976 123.0972 54.6220 18.3233 179.7024 66 A 3.9949 8.2108 119.5361 55.5820 18.4716 179.9744 67 T 4.0609 8.3323 114.5126 66.8976 68.4899 176.3574 68 D 4.3408 8.4986 119.9043 57.2860 41.2650 178.0989 69 A 4.0013 8.1680 121.2383 55.2367 18.4416 179.8150 70 V 3.5485 7.8914 116.7730 66.0208 31.5217 178.4301 71 V 3.5671 7.9518 117.9631 66.3577 31.3867 177.9930 72 T 3.8604 8.2041 115.4966 66.6976 68.3011 176.4248 73 A 3.9788 8.0629 122.3035 55.0928 18.1960 179.6091 74 A 3.9379 7.8566 118.1942 55.3367 18.5629 179.7904 75 V 3.7384 8.0045 116.2871 65.7941 31.7822 177.5779 76 T 4.3881 8.0401 106.6942 61.4709 70.6229 174.7510 77 A 4.4981 7.5900 123.8411 50.4639 18.5324 175.7127 *82 A 4.1706 7.8300 119.5108 50.9641 20.5328 177.5314 83 A 4.5105 8.0167 118.7789 52.6744 19.8396 176.9208 84 D 4.9101 7.5357 115.1259 50.8702 42.0901 176.6502 85 S 4.3489 8.1197 114.4017 57.6053 65.0342 173.2884 86 P 4.7599 0.0000 0.0000 65.3266 31.0267 179.0731 87 Q 3.9514 7.9276 116.4506 59.0381 28.6456 178.3511 88 D 4.3068 8.1061 119.7115 57.1781 40.8398 178.6037 89 A 3.9559 8.1851 121.5041 55.1789 18.2793 179.8587 90 V 3.5328 7.9193 116.7375 66.2059 31.5126 178.5144 91 R 3.8531 7.9229 117.6443 59.1189 29.8516 178.9207 92 A 4.0393 8.2771 120.8585 54.9694 18.3415 179.9142 93 V 3.5494 7.8400 116.6551 66.1135 31.6607 178.2070 94 A 4.2341 8.3657 120.8119 55.3258 18.1884 179.6639 95 L 4.3879 8.6731 118.1859 57.7694 41.6938 179.8452 96 G 3.7158 8.3611 105.8361 47.9360 0.0000 175.7814 97 L 4.0268 8.0440 121.6319 57.0366 41.6082 179.2861 98 W 3.8103 8.8091 128.6121 60.6760 30.5743 177.8328 99 D 4.3973 9.1086 119.4713 57.1038 40.1505 178.6478 100 A 3.9223 8.0724 121.6516 55.2759 18.2618 179.4842 101 T 3.7773 7.5729 105.8504 63.4922 68.9540 175.8123 102 E 3.8165 7.0477 120.5291 58.7178 29.9387 177.5945 103 A 4.2479 7.8037 119.8059 53.4005 19.3783 176.9165 104 H 4.6072 7.8985 114.7226 51.9453 30.0316 171.8311 105 P 4.0274 0.0000 0.0000 65.7514 30.8673 178.2767 106 W 4.3025 7.9862 115.4711 58.6928 27.8989 177.6510 107 L 3.3804 6.7006 121.7551 57.9413 41.1805 178.6496 108 A 3.8849 7.2648 119.4304 55.6034 18.3596 179.8060 109 T 3.8549 7.7951 113.5773 66.9458 68.5551 176.9161 110 Q 4.1477 8.0922 119.5415 58.8291 28.6797 178.7912 111 L 4.0080 8.0416 120.1386 57.5268 41.1204 179.3095 112 A 4.0138 7.8180 121.0469 55.5336 18.3144 179.8960 113 T 3.9183 7.9372 114.0999 66.6172 67.9892 176.8841 114 Q 4.0624 8.2823 123.2719 58.1248 28.9263 177.2960 115 L 4.3200 7.7806 116.9415 55.2486 42.1293 177.6696 116 S 4.6948 7.5469 114.1380 59.0828 64.5875 174.8565 117 R 4.6538 8.1093 115.9177 55.8853 32.0191 176.1026 118 T 4.6538 7.3048 116.2881 60.3780 68.2047 172.5352 119 P 4.0988 0.0000 0.0000 65.2324 31.4625 178.2427 120 W 4.6696 8.0456 115.5270 55.9539 29.2498 176.5396 121 G 4.0554 8.2799 108.2679 45.6197 0.0000 174.1404 122 T 4.3397 8.3937 110.8388 62.6227 70.3274 177.4402 123 V 3.6368 7.9699 121.8300 66.0207 31.6029 177.0448 124 A 4.0131 8.1420 120.2290 55.0487 18.1198 177.5405 125 P 4.3977 0.0000 0.0000 66.2579 31.1863 178.7480 126 R 4.0281 7.7528 116.9324 59.0168 29.9741 179.0679 127 I 3.7861 7.9568 119.7864 64.3419 37.0625 178.2348 128 F 4.1480 8.7940 122.0029 61.1960 39.1651 177.0749 129 E 3.9080 8.7577 118.6985 59.4556 28.2098 179.2674 130 S 4.0741 8.0020 115.1166 61.7552 62.9480 177.0218 131 L 4.0670 8.0105 121.4777 57.5829 41.3192 179.5763 132 G 3.3415 7.8739 105.9098 48.0752 0.0000 175.7615 133 R 3.6786 7.7209 120.5907 58.9935 30.1119 179.2296 134 Q 3.9320 7.4131 114.8977 58.6050 28.2277 178.6323 135 V 3.5418 7.4700 119.6228 65.9476 31.3264 178.1326 136 Q 3.8888 7.6851 116.2748 58.7183 28.9590 178.9298 137 A 4.3347 7.5873 124.1744 51.1694 17.1455 178.0371 *139 G 3.8536 7.7303 107.2304 45.8578 0.0000 173.1852 140 V 3.9451 7.5866 119.3604 61.2334 32.2105 174.3414 141 P 4.2594 0.0000 0.0000 62.7331 31.8225 177.0455 142 E 2.0000 8.2009 119.8022 58.6194 28.7644 179.0239 143 A 4.0478 7.4767 119.4095 53.7592 18.7554 177.7196 144 H 4.9950 7.9766 113.6851 54.8898 29.8923 175.5932 145 W 4.5635 7.9603 123.0028 60.0568 28.8552 178.1149 146 F 4.3671 8.5073 119.8877 61.5873 39.0250 177.1733 147 T 3.8921 8.2159 114.6792 66.7104 68.4830 176.3244 148 A 3.9974 8.5018 123.0043 55.3125 17.8750 179.9175 149 S 3.9190 7.9442 113.5552 61.8105 62.5864 177.1595 150 S 4.1042 8.0965 117.0095 61.2390 62.6527 176.3245 151 A 4.2253 7.9447 123.6715 55.0092 18.0249 180.1083 152 L 4.1750 7.5571 113.2103 56.3943 41.4137 178.7698 *154 H 4.8053 8.1051 118.7568 56.2077 31.0310 175.1106 155 Y 4.0551 8.5563 120.0338 60.7280 38.6030 177.9978 156 I 3.9713 8.1926 120.8893 64.7582 37.2415 178.3874 157 L 4.1912 8.0974 119.1970 57.7095 41.5569 179.8334 158 G 3.4985 8.1107 105.5006 47.5930 0.0000 175.8242 159 A 4.0336 7.8686 123.1986 54.9192 18.5503 179.6837 160 A 3.6175 8.6108 119.9004 54.8738 18.3318 180.1322 161 G 3.4392 8.1624 104.6725 48.1543 0.0000 176.0693 162 Q 3.9831 7.9375 120.5018 58.4140 28.6487 178.2716 163 N 4.0915 8.1819 118.0692 56.4864 38.6129 176.8051 164 A 3.6934 7.5915 120.9353 54.9906 18.5439 179.0780 165 A 3.9809 7.7623 119.2798 55.4182 18.1641 179.6486 166 N 4.1676 7.7714 114.1392 56.0631 38.6975 177.0034 167 S 4.3876 7.7115 113.5586 58.8701 62.9273 174.7678 168 A 4.3011 7.0097 123.1745 52.5156 18.8047 177.5962 *178 D 4.8586 7.8014 119.6505 55.0896 43.1930 177.7359 179 R 3.9759 7.8634 118.2197 59.4951 30.0214 178.0520 180 D 4.3887 8.0923 118.1823 57.0394 40.4654 178.2846 181 E 4.0669 8.0150 118.9221 58.9274 29.7437 178.6453 182 F 4.2724 8.4733 122.4504 60.7905 39.4430 177.3183 183 L 3.7821 8.4021 118.9802 57.5273 41.3821 178.9198 184 D 4.2340 7.7982 118.2788 57.1094 40.9308 178.3303 185 T 3.8596 7.7168 110.6440 64.3130 68.7886 177.1318 186 V 3.1556 7.2611 121.0656 65.5696 31.4812 177.7892 187 S 3.7998 7.7088 112.9359 61.6334 61.9078 176.3143 188 T 3.7890 7.4465 116.6671 66.6927 68.4223 176.0863 189 A 4.1507 8.0900 122.7906 55.1710 18.3744 179.7317 190 W 4.2244 8.5332 117.5685 59.6351 28.9577 178.3530 191 E 4.3260 8.3223 117.2669 57.9633 28.9714 178.2259 192 G 3.9283 7.3930 104.7680 43.7859 0.0000 173.8453 193 L 4.1781 7.0378 121.0398 53.4916 42.6347 176.8916 194 D 4.4256 8.6805 121.0416 54.0778 41.9019 175.6958 195 P 4.2857 0.0000 0.0000 66.0263 31.3033 177.7064 196 D 4.5213 8.2308 117.0300 56.4220 41.1230 177.8429 197 A 4.1813 8.3726 120.6213 53.2583 20.3852 177.2469 198 Y 4.7191 8.1946 114.6582 55.5336 38.4588 174.5451 199 P 4.4062 0.0000 0.0000 65.6982 31.9655 178.6229 200 F 4.0805 8.1817 119.8825 61.5685 39.5691 177.1964 201 T 3.7888 8.1868 114.8266 66.6871 67.9545 176.7292 202 R 3.9459 7.9229 119.1449 59.1059 30.1984 178.5202 203 A 4.0691 7.5764 119.2049 54.8094 18.6530 179.3686 204 V 3.8404 7.7403 109.5816 62.5775 31.8947 178.3842 205 A 4.1349 8.0761 121.4092 55.4551 18.0539 179.0818 206 D 4.2437 8.0826 115.8256 57.6388 41.2001 178.3061 207 Q 4.0707 8.2537 117.4907 58.4661 28.7818 178.6033 208 V 3.6175 7.5779 119.8450 65.8051 31.2119 177.1707 209 R 3.7032 7.4351 117.9356 59.1091 30.1964 178.0369 210 G 4.1082 7.5420 106.4056 45.2377 0.0000 173.0719 211 H 4.3533 7.8795 119.6322 55.2982 30.8201 173.9832 212 D 4.8093 8.2374 125.7889 52.6215 42.8138 176.4259 213 D 4.4491 8.7019 127.2225 57.5272 41.0439 178.6022 214 R 3.1968 8.0567 118.6470 59.2927 30.1026 177.9849 215 E 3.8552 8.5533 119.1191 59.2482 29.5416 178.4964 216 Q 3.9839 8.0210 119.6712 59.0076 29.1302 177.9767 217 F 4.2393 8.1838 121.8785 61.5318 39.4014 177.2537 218 L 3.6958 7.8124 118.1375 57.2826 41.2161 179.4217 219 A 4.0287 8.1736 121.3394 54.9170 18.3284 179.8527 220 G 4.0007 8.1753 105.7917 47.4068 0.0000 175.9507 221 I 3.2006 7.3595 122.1226 64.3035 36.9997 178.6698 222 T 3.7631 7.6835 116.4255 66.4522 68.3367 176.6498 223 L 3.8672 7.9576 121.1650 57.7333 41.5557 179.8221 224 V 3.4430 7.4993 117.9807 65.9959 31.4049 178.0513 225 L 3.8975 8.0869 119.0991 58.0753 41.2447 179.7187 226 T 3.9378 8.2088 116.1689 66.4910 68.1329 176.9898 227 G 3.5690 7.6907 106.2660 47.8412 0.0000 175.5669 228 I 3.8869 8.0016 122.5138 64.4572 37.0732 178.7265 229 T 3.9365 8.3646 116.6784 66.2374 68.0113 176.1692 230 A 4.2203 7.5867 121.3819 53.9082 18.5574 178.8398 231 L 4.3604 7.6610 116.5530 55.3635 41.8864 175.8056 232 H 4.1488 7.7269 118.4072 57.0137 29.7329 174.9714 233 R 4.0212 8.6537 124.7591 56.7687 30.1501 176.3098 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 14 P 0.00 4.30 0.00 2.15 2.12 0.00 3.71 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 1.85 1.96 0.00 15 L 8.28 3.77 0.00 1.57 1.49 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.32 4.73 0.00 3.92 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 17 R 8.24 3.87 0.00 1.95 1.93 0.00 3.28 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 18 E 8.22 3.93 0.00 2.08 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 2.41 2.46 0.00 19 R 7.77 3.90 0.00 1.81 1.88 0.00 3.22 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 20 I 7.49 3.63 1.99 0.00 0.00 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 1.69 0.92 0.90 0.00 0.00 21 V 7.97 3.62 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 1.07 0.00 0.00 0.97 0.00 0.00 22 G 8.73 3.70 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 0.00 0.00 0.00 23 A 8.29 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.85 3.82 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 25 V 7.82 3.22 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 1.28 0.00 0.00 0.99 0.00 0.00 26 E 8.11 3.98 0.00 2.21 1.98 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 2.35 2.51 0.00 27 L 7.88 3.93 0.00 1.74 1.61 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.19 3.95 0.00 0.77 0.13 -0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.30 4.63 0.00 2.90 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 30 T 7.57 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 31 V 8.13 4.16 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 0.74 0.00 0.00 0.96 0.00 0.00 32 G 8.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.57 3.82 0.00 2.01 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 2.36 2.31 0.00 34 R 8.12 3.72 0.00 1.83 2.00 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 G 7.48 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.21 4.19 0.00 1.42 1.73 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.76 4.77 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 1.22 0.00 0.00 38 F 8.72 3.98 0.00 3.18 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 39 R 8.16 3.88 0.00 2.10 2.26 0.00 3.07 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 40 A 7.79 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.07 3.74 0.00 1.70 1.68 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.02 3.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.64 3.88 0.00 2.13 2.27 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 2.50 2.31 0.00 44 R 7.95 3.91 0.00 1.74 2.00 0.00 3.11 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 45 L 7.78 4.14 0.00 1.80 1.66 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.40 0.00 2.35 2.39 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 126 R 7.75 4.03 0.00 2.21 2.06 0.00 3.42 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 127 I 7.96 3.79 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.99 0.00 0.00 128 F 8.79 4.15 0.00 3.24 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 E 8.76 3.91 0.00 2.27 1.98 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 2.51 2.53 0.00 130 S 8.00 4.07 0.00 4.03 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 0.00 131 L 8.01 4.07 0.00 1.51 1.57 0.94 0.74 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 0.00 132 G 7.87 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 0.00 0.00 0.00 133 R 7.72 3.68 0.00 1.77 1.89 0.00 3.07 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 134 Q 7.41 3.93 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 135 V 7.47 3.54 2.02 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 1.09 0.00 0.00 0.83 0.00 0.00 136 Q 7.69 3.89 0.00 1.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.41 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 137 A 7.59 4.33 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 *139 G 7.73 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 0.00 0.00 0.00 140 V 7.59 3.95 2.46 0.00 0.00 0.00 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 1.05 0.00 0.00 141 P 0.00 4.26 0.00 2.06 1.85 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 142 E 8.20 2.00 0.00 1.16 1.12 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 1.94 1.97 0.00 143 A 7.48 4.05 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 0.00 144 H 7.98 5.00 0.00 3.30 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 7.96 4.56 0.00 3.44 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 0.00 146 F 8.51 4.37 0.00 3.37 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 0.00 147 T 8.22 3.89 4.48 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 1.26 0.00 0.00 148 A 8.50 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.94 3.92 0.00 3.46 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 0.00 150 S 8.10 4.10 0.00 3.63 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 0.00 151 A 7.94 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.56 4.18 0.00 1.90 1.71 0.85 0.94 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 *154 H 8.11 4.81 0.00 3.30 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.56 4.06 0.00 3.18 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.19 3.97 2.01 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.80 1.15 0.00 0.00 157 L 8.10 4.19 0.00 1.84 1.73 0.93 0.93 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 0.00 158 G 8.11 3.50 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 0.00 159 A 7.87 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.61 3.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.16 3.44 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 0.00 162 Q 7.94 3.98 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 163 N 8.18 4.09 0.00 2.26 2.03 0.00 0.00 7.06 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 0.00 164 A 7.59 3.69 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 0.00 165 A 7.76 3.98 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 0.00 166 N 7.77 4.17 0.00 2.74 2.73 0.00 0.00 7.09 6.93 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 0.00 167 S 7.71 4.39 0.00 3.78 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 0.00 168 A 7.01 4.30 1.28 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 *178 D 7.80 4.86 0.00 2.71 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 0.00 179 R 7.86 3.98 0.00 1.90 1.95 0.00 3.85 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 180 D 8.09 4.39 0.00 2.74 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 0.00 181 E 8.01 4.07 0.00 2.19 2.00 0.00 0.00 0.00 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 2.37 0.00 182 F 8.47 4.27 0.00 3.15 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.40 3.78 0.00 1.70 1.81 1.01 1.03 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 0.00 184 D 7.80 4.23 0.00 2.73 2.73 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 0.00 185 T 7.72 3.86 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 1.25 0.00 0.00 186 V 7.26 3.16 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 -0.25 0.00 0.00 0.04 0.00 0.00 187 S 7.71 3.80 0.00 3.82 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 0.00 188 T 7.45 3.79 4.33 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 1.18 0.00 0.00 189 A 8.09 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 W 8.53 4.22 0.00 3.37 3.15 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 0.00 191 E 8.32 4.33 0.00 2.10 2.02 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 2.36 2.59 0.00 192 G 7.39 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 0.00 193 L 7.04 4.18 0.00 1.54 1.17 0.09 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.68 4.43 0.00 2.79 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 0.00 195 P 0.00 4.29 0.00 2.28 2.20 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 196 D 8.23 4.52 0.00 2.86 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 0.00 197 A 8.37 4.18 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 0.00 198 Y 8.19 4.72 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 4.41 0.00 2.31 2.34 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 200 F 8.18 4.08 0.00 3.19 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 0.00 201 T 8.19 3.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 202 R 7.92 3.95 0.00 1.96 2.00 0.00 3.35 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 203 A 7.58 4.07 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 0.00 204 V 7.74 3.84 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 0.01 0.00 0.00 0.87 0.00 0.00 205 A 8.08 4.13 1.51 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 0.00 0.00 206 D 8.08 4.24 0.00 2.74 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 0.00 207 Q 8.25 4.07 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 208 V 7.58 3.62 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 0.63 0.00 0.00 0.63 0.00 0.00 209 R 7.44 3.70 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.20 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 210 G 7.54 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 0.00 0.00 0.00 211 H 7.88 4.35 0.00 3.29 3.32 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.24 4.81 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.45 0.00 2.99 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 0.00 214 R 8.06 3.20 0.00 1.96 2.07 0.00 3.23 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 215 E 8.55 3.86 0.00 2.13 2.02 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 2.27 2.28 0.00 216 Q 8.02 3.98 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 217 F 8.18 4.24 0.00 2.28 2.57 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 0.00 0.00 0.00 0.00 218 L 7.81 3.70 0.00 1.64 1.57 0.85 0.70 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 0.00 219 A 8.17 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 G 8.18 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 0.00 221 I 7.36 3.20 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.72 0.00 0.00 222 T 7.68 3.76 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 1.14 0.00 0.00 223 L 7.96 3.87 0.00 1.69 1.61 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 224 V 7.50 3.44 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 1.01 0.00 0.00 0.56 0.00 0.00 225 L 8.09 3.90 0.00 1.74 1.63 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.21 3.94 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 227 G 7.69 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 I 8.00 3.89 1.97 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 1.51 0.63 0.91 0.00 0.00 229 T 8.36 3.94 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 230 A 7.59 4.22 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 0.00 231 L 7.66 4.36 0.00 1.94 1.81 0.88 1.10 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 0.00 232 H 7.73 4.15 0.00 3.17 3.33 0.00 6.09 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.65 4.02 0.00 1.77 1.76 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.00 * Residues marked with a * may have inaccurate shift predictions.