NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8005 8.1827 115.7739 56.3275 39.7852 176.8508 13 V 3.4620 8.0461 122.9767 66.7859 31.1085 175.1663 14 A 3.9897 8.7092 120.2549 55.2884 19.1445 178.4243 15 E 4.0969 8.2740 116.6332 59.6639 29.5205 179.5706 16 L 4.0418 8.1670 118.9699 57.7783 41.4699 179.0022 17 N 4.4497 8.5622 117.0741 56.3617 38.6160 175.7641 18 N 4.7754 7.7863 115.1346 54.0236 39.0229 175.3137 19 L 4.6270 7.9104 120.7570 54.0370 42.2897 176.0890 20 L 4.2800 7.2296 118.4890 56.6971 41.7917 177.9539 21 G 3.9960 9.2235 112.3233 45.1751 0.0000 173.4269 22 R 4.6276 7.9946 119.0964 54.5106 33.1295 175.1788 23 E 4.7347 8.6052 123.0255 56.3417 30.9611 176.0594 24 V 4.8221 8.9525 119.1024 59.7770 37.0475 173.7519 25 Q 4.9986 9.0990 122.1313 54.4164 32.2134 173.9883 26 V 4.7178 9.2316 125.9987 61.1402 34.5498 174.0475 27 V 4.5850 8.5734 128.3865 61.5650 33.1018 174.6277 28 L 5.3669 8.8638 128.4910 52.9982 43.8250 178.0605 29 S 4.3136 9.3090 116.8794 60.6792 63.1374 174.7679 30 N 4.6344 8.2307 117.5882 52.9075 37.1705 175.9551 31 G 3.9765 8.2956 108.2939 45.4157 0.0000 173.9653 32 E 4.3671 8.5704 119.6816 55.8699 31.6315 175.9396 33 V 4.7839 7.9602 120.4801 61.6083 34.7764 173.4979 34 Y 4.9150 9.0995 126.1515 55.9909 40.7745 174.6822 35 K 4.9025 8.5873 124.8969 54.8607 35.3799 175.4775 36 G 4.1803 8.4151 112.4154 46.1309 0.0000 171.6093 37 V 4.3498 7.9248 120.3571 62.0868 32.8967 175.6406 38 L 4.3244 9.1535 131.0138 55.9539 42.1727 176.3297 39 H 4.5879 9.0294 127.1708 58.0409 31.0312 175.0947 40 A 4.7326 7.5870 117.1879 50.8562 22.5241 175.4305 41 V 4.9111 8.3045 119.6914 61.4179 35.0410 174.1150 42 D 5.0678 8.4069 126.3023 51.1406 41.9840 176.5480 43 N 4.2166 8.6458 115.4418 56.4133 38.4258 176.1738 44 Q 3.9582 8.0415 114.3212 55.1580 28.8956 175.4153 45 L 3.7430 7.9547 117.0317 55.7961 39.7282 174.6030 46 N 4.9082 8.6655 115.6236 53.5514 40.1256 174.4519 47 I 5.0082 8.6856 121.2468 59.6500 41.8263 174.3871 48 V 4.6778 8.8309 126.1229 61.0891 33.9620 174.2198 49 L 5.2735 8.6305 127.2832 52.9596 44.8265 175.0833 50 A 4.8717 9.0684 124.2721 50.9596 21.3844 176.3877 51 N 4.5266 8.3063 117.5175 54.2688 36.7412 173.5356 52 A 5.2818 8.1390 121.1115 50.4489 22.6900 177.3412 53 S 5.8679 9.1665 113.3206 56.0994 67.3510 173.6640 54 N 5.4163 8.2570 118.6347 50.7206 39.7581 175.3452 55 K 3.9512 8.4213 116.6032 59.2388 32.2883 178.0681 56 A 4.0973 7.8995 119.2248 52.5773 18.1990 178.1775 57 G 3.9517 8.0252 104.9427 45.1523 0.0000 174.2193 58 E 4.1371 8.2329 119.8148 56.1889 30.6822 176.1064 59 K 5.1972 7.9059 120.7988 54.7713 35.9787 175.6506 60 F 4.8070 9.0140 120.7599 55.8034 43.1614 175.3926 61 N 4.6219 9.1229 121.2083 56.5409 39.9691 174.7159 62 R 5.0359 7.7809 114.8392 54.4632 34.6872 175.0453 63 V 4.0446 8.1834 121.4253 61.1918 34.8158 174.0591 64 F 4.7299 8.8641 127.0435 56.4299 39.8310 175.0441 65 I 4.3782 8.6387 131.2599 60.6582 39.7233 176.6527 *67 Y 4.7249 8.4986 119.4947 58.1302 39.7431 177.5670 68 R 3.6155 6.8227 117.8581 58.4597 30.2961 176.6560 69 Y 4.3721 7.7443 113.1964 57.6077 38.5341 174.4771 70 I 4.4525 7.7342 122.4933 60.8804 37.3502 175.9954 71 V 4.0916 9.1197 128.6676 65.5235 32.2334 175.3037 72 H 4.8602 7.5993 113.0470 55.0583 31.6074 172.3924 73 I 5.0527 8.3029 118.9321 59.6394 40.2183 174.8838 74 D 5.0782 9.0405 126.3095 52.1540 44.4133 175.6226 75 S 4.6876 8.7857 117.7285 58.7355 63.7251 173.9625 76 T 4.5501 8.1022 109.8063 61.5448 70.0426 173.8991 77 E 4.2869 8.0688 122.7937 55.4583 30.4276 176.3675 78 R 4.1618 8.3127 123.7864 55.8391 31.0054 176.1336 79 R 4.2124 8.1519 121.0477 55.4128 30.9086 176.8163 80 I 3.5863 7.9196 121.2236 61.4710 37.5400 176.0735 81 D 4.4767 8.3387 124.2067 53.9955 42.4938 176.5104 *83 R 3.7427 8.3848 117.6794 56.0296 31.9684 177.9713 84 E 3.9657 8.2021 117.7728 59.1013 29.5281 178.4411 85 F 3.8429 8.3815 120.7872 61.2308 39.3387 176.9845 86 A 4.1070 8.1277 119.7794 54.9619 18.0657 179.0968 87 K 3.8111 7.9276 116.9966 60.1362 32.5271 178.7749 88 Q 4.0999 8.4381 117.9599 58.6873 28.5283 178.4467 89 A 4.0338 8.2209 122.2300 54.6979 17.8202 179.1210 90 E 3.9716 8.2263 117.8782 58.8089 29.4596 178.5190 91 K 4.1678 7.7351 116.7379 57.9396 32.3378 178.0410 92 I 4.0197 7.3628 118.4785 61.1367 39.6158 175.7471 93 F 5.0054 7.9394 116.3966 54.5497 38.9827 173.2608 94 P 4.3293 0.0000 0.0000 63.4946 32.5633 177.1584 95 G 3.6888 9.3286 111.8198 46.4109 0.0000 173.8568 *97 V 4.2036 7.3077 115.6491 62.7197 33.2756 175.5180 98 K 4.6937 9.0488 126.4011 54.8208 35.9254 174.5274 99 Y 4.7513 8.7425 126.2147 56.7446 40.8777 174.1088 100 I 4.2017 8.0665 127.5600 59.0350 38.4367 175.6794 101 E 3.6840 8.4719 128.7670 58.8606 29.8867 177.6646 102 E 4.0417 8.2582 118.8221 58.9513 29.3978 177.3991 103 T 4.4213 7.3046 103.2211 60.2627 69.8313 172.5944 104 N 4.1465 7.8293 118.4084 54.8403 37.8225 173.5164 105 V 4.6241 7.2197 114.9523 60.8099 35.6496 173.9780 106 V 4.8778 8.7061 125.1734 61.1810 34.0344 174.1694 107 L 5.0128 8.9560 128.1939 53.3484 44.3770 175.7290 108 I 4.3628 8.2910 123.3958 60.2777 39.9335 176.0978 109 G 3.9178 8.6774 119.0348 45.5009 0.0000 172.8601 110 D 4.8921 8.6846 123.1962 53.1078 39.7652 176.4305 111 K 4.5762 7.9473 115.3763 55.9248 34.2834 175.6359 112 V 4.6459 7.5230 118.8384 61.0294 34.8137 174.3568 113 R 5.0578 8.9059 126.8281 54.6080 33.8798 173.6806 114 V 4.8206 8.9218 125.6765 61.1683 34.7951 174.6694 115 S 5.1300 8.6567 122.4376 56.0254 66.1102 174.5782 116 E 4.2359 8.9444 116.7295 57.8927 29.3239 177.2401 117 I 4.5101 8.4828 111.8877 59.4287 38.2604 175.1847 118 G 3.5080 6.4304 110.9481 45.7544 0.0000 171.4320 119 V 4.5139 7.4791 118.5996 60.7485 33.6656 174.3206 120 E 4.5407 9.9735 126.7585 54.8908 31.4971 174.6994 121 G 4.4761 7.8217 107.1553 43.3448 0.0000 172.9939 122 V 4.3092 7.9821 119.2276 61.5820 34.7825 174.2037 123 G 3.8303 8.7720 109.5268 43.7496 0.0000 172.8046 124 P 4.3436 0.0000 0.0000 65.5678 31.0012 179.2842 125 V 3.7336 7.7896 116.2679 65.9014 31.5915 177.7285 126 A 3.9652 7.9261 119.9835 55.3150 18.4399 179.2236 127 E 3.9612 8.6690 117.4687 59.6544 29.5695 179.6805 128 R 4.0274 8.4241 118.5504 59.4226 30.1089 178.4332 129 A 4.4126 8.6241 120.8838 55.1613 18.3434 179.7449 130 K 4.0204 8.4032 117.1672 59.8235 32.1148 179.8188 131 R 4.0705 8.0647 117.9853 59.0269 29.9703 178.8895 132 L 4.1126 8.3074 120.4128 57.9759 42.1342 178.5780 133 F 4.2806 9.0708 121.0881 61.8056 39.3866 177.1256 134 E 4.2554 8.8421 117.9688 59.2726 28.9610 179.0056 135 E 4.0162 8.1572 119.0877 59.1389 30.0178 178.5552 136 F 4.0963 8.4995 117.9224 60.5864 38.8011 177.6872 137 L 4.0973 7.9234 117.2777 57.5958 41.4534 179.3237 138 K 4.2097 8.0899 117.2246 58.4472 32.1422 177.7898 139 R 4.2037 7.6299 122.6918 56.3965 30.1336 176.1176 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 12 F 8.18 4.80 0.00 3.19 3.40 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 13 V 8.05 3.46 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 1.10 0.00 0.00 0.94 0.00 0.00 14 A 8.71 3.99 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 15 E 8.27 4.10 0.00 2.10 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 2.45 2.50 0.00 16 L 8.17 4.04 0.00 2.02 1.78 1.11 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.56 4.45 0.00 3.02 2.84 0.00 0.00 7.26 7.56 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 18 N 7.79 4.78 0.00 2.96 2.86 0.00 0.00 6.87 8.14 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 19 L 7.91 4.63 0.00 1.79 1.66 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.23 4.28 0.00 1.69 1.63 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.22 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 22 R 7.99 4.63 0.00 1.80 2.00 0.00 3.32 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 23 E 8.61 4.73 0.00 2.04 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 2.32 2.48 0.00 24 V 8.95 4.82 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 0.63 0.00 0.00 1.00 0.00 0.00 25 Q 9.10 5.00 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 26 V 9.23 4.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 27 V 8.57 4.59 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 0.73 0.00 0.00 0.84 0.00 0.00 28 L 8.86 5.37 0.00 1.87 1.73 1.00 0.60 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 29 S 9.31 4.31 0.00 4.02 4.08 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 0.00 0.00 0.00 30 N 8.23 4.63 0.00 2.84 2.91 0.00 0.00 6.26 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 31 G 8.30 3.98 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 0.00 0.00 0.00 32 E 8.57 4.37 0.00 2.07 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 2.33 2.41 0.00 33 V 7.96 4.78 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 0.99 0.00 0.00 0.91 0.00 0.00 34 Y 9.10 4.91 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.59 4.90 0.00 1.80 1.63 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.50 7.81 36 G 8.42 4.18 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 0.00 0.00 0.00 37 V 7.92 4.35 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 0.95 0.00 0.00 38 L 9.15 4.32 0.00 1.79 1.73 0.95 0.76 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 H 9.03 4.59 0.00 3.13 3.35 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.59 4.73 1.23 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 41 V 8.30 4.91 2.12 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 0.92 0.00 0.00 0.98 0.00 0.00 42 D 8.41 5.07 0.00 2.88 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 43 N 8.65 4.22 0.00 2.68 2.86 0.00 0.00 6.83 7.69 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 44 Q 8.04 3.96 0.00 2.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 45 L 7.95 3.74 0.00 1.75 1.86 1.03 0.92 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 46 N 8.67 4.91 0.00 3.02 2.86 0.00 0.00 6.81 7.30 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 47 I 8.69 5.01 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.94 0.00 0.00 48 V 8.83 4.68 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 0.48 0.00 0.00 1.09 0.00 0.00 49 L 8.63 5.27 0.00 1.54 1.52 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.07 4.87 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 51 N 8.31 4.53 0.00 2.79 2.82 0.00 0.00 6.83 6.91 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 52 A 8.14 5.28 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 53 S 9.17 5.87 0.00 3.94 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 54 N 8.26 5.42 0.00 2.39 1.77 0.00 0.00 6.76 6.46 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 55 K 8.42 3.95 0.00 1.70 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.33 7.81 56 A 7.90 4.10 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 57 G 8.03 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.23 4.14 0.00 2.19 1.55 0.00 0.00 0.00 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 2.30 0.00 59 K 7.91 5.20 0.00 1.42 1.60 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.42 7.81 60 F 9.01 4.81 0.00 2.99 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 61 N 9.12 4.62 0.00 2.79 2.85 0.00 0.00 6.92 7.65 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 62 R 7.78 5.04 0.00 1.53 1.01 0.00 3.06 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 63 V 8.18 4.04 1.81 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 0.40 0.00 0.00 0.72 0.00 0.00 64 F 8.86 4.73 0.00 2.87 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 65 I 8.64 4.38 1.98 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 1.09 0.67 0.94 0.00 0.00 *67 Y 8.50 4.72 0.00 3.31 3.51 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 68 R 6.82 3.62 0.00 1.27 1.37 0.00 2.92 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.00 69 Y 7.74 4.37 0.00 3.09 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 70 I 7.73 4.45 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 1.04 0.00 0.00 71 V 9.12 4.09 2.21 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 0.88 0.00 0.00 1.02 0.00 0.00 72 H 7.60 4.86 0.00 3.18 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.30 5.05 1.74 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 1.41 1.02 0.90 0.00 0.00 74 D 9.04 5.08 0.00 2.55 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 75 S 8.79 4.69 0.00 3.87 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 76 T 8.10 4.55 4.25 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 1.28 0.00 0.00 77 E 8.07 4.29 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 78 R 8.31 4.16 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 79 R 8.15 4.21 0.00 1.83 1.81 0.00 3.45 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 80 I 7.92 3.59 1.44 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.16 0.24 0.00 0.00 81 D 8.34 4.48 0.00 2.69 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 *83 R 8.38 3.74 0.00 1.87 1.73 0.00 2.96 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 84 E 8.20 3.97 0.00 2.24 2.25 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 2.55 2.75 0.00 85 F 8.38 3.84 0.00 2.56 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 86 A 8.13 4.11 1.50 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 87 K 7.93 3.81 0.00 1.86 2.11 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 Q 8.44 4.10 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 89 A 8.22 4.03 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 90 E 8.23 3.97 0.00 2.25 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 2.33 2.41 0.00 91 K 7.74 4.17 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 92 I 7.36 4.02 1.34 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 -0.08 0.00 0.00 93 F 7.94 5.01 0.00 2.97 2.89 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 94 P 0.00 4.33 0.00 2.06 2.05 0.00 3.90 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 95 G 9.33 3.69 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 0.00 0.00 0.00 *97 V 7.31 4.20 2.34 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 0.92 0.00 0.00 1.10 0.00 0.00 98 K 9.05 4.69 0.00 1.69 1.66 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 99 Y 8.74 4.75 0.00 3.15 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 0.00 100 I 8.07 4.20 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.77 0.00 0.00 101 E 8.47 3.68 0.00 1.98 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 2.37 2.56 0.00 102 E 8.26 4.04 0.00 1.89 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 2.27 2.30 0.00 103 T 7.30 4.42 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 104 N 7.83 4.15 0.00 2.92 2.94 0.00 0.00 6.87 7.80 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 0.00 105 V 7.22 4.62 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 0.92 0.00 0.00 0.95 0.00 0.00 106 V 8.71 4.88 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 1.26 0.00 0.00 1.27 0.00 0.00 107 L 8.96 5.01 0.00 1.61 1.53 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.29 4.36 1.66 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 1.16 1.02 0.17 0.00 0.00 109 G 8.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.68 4.89 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 0.00 111 K 7.95 4.58 0.00 1.67 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 112 V 7.52 4.65 2.13 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 0.93 0.00 0.00 0.87 0.00 0.00 113 R 8.91 5.06 0.00 1.84 1.64 0.00 3.05 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 114 V 8.92 4.82 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 0.73 0.00 0.00 1.02 0.00 0.00 115 S 8.66 5.13 0.00 3.87 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 0.00 116 E 8.94 4.24 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 2.31 0.00 117 I 8.48 4.51 1.88 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 1.21 0.70 0.93 0.00 0.00 118 G 6.43 3.51 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 0.00 119 V 7.48 4.51 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 0.89 0.00 0.00 0.76 0.00 0.00 120 E 9.97 4.54 0.00 1.94 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 2.18 2.15 0.00 121 G 7.82 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 0.00 0.00 0.00 0.00 122 V 7.98 4.31 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 0.85 0.00 0.00 0.92 0.00 0.00 123 G 8.77 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 0.00 124 P 0.00 4.34 0.00 2.23 2.17 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 125 V 7.79 3.73 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 0.49 0.00 0.00 0.95 0.00 0.00 126 A 7.93 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.67 3.96 0.00 2.00 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 2.53 2.49 0.00 128 R 8.42 4.03 0.00 2.17 2.58 0.00 3.20 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 1.48 1.79 0.00 129 A 8.62 4.41 1.57 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 0.00 130 K 8.40 4.02 0.00 2.10 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.61 7.81 131 R 8.06 4.07 0.00 2.18 2.06 0.00 3.28 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 132 L 8.31 4.11 0.00 2.08 2.09 0.44 0.82 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 0.00 133 F 9.07 4.28 0.00 3.49 3.29 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 0.00 134 E 8.84 4.26 0.00 2.34 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 2.47 2.58 0.00 135 E 8.16 4.02 0.00 2.23 2.03 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 2.30 2.33 0.00 136 F 8.50 4.10 0.00 3.24 3.02 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 0.00 137 L 7.92 4.10 0.00 1.85 1.81 1.20 0.80 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 0.00 138 K 8.09 4.21 0.00 1.89 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.75 7.81 139 R 7.63 4.20 0.00 1.89 1.79 0.00 2.86 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.