NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.3544 8.0433 120.9933 55.1915 42.6050 178.2688 7 I 3.5465 7.9559 121.0098 64.4818 36.7779 176.2682 8 D 4.3801 8.2242 119.6737 57.8318 41.1179 177.3421 9 Q 4.0214 8.1453 120.0393 59.0777 28.7831 178.0017 10 L 4.1277 7.8476 122.6757 58.4952 40.7773 178.5993 11 H 4.4158 7.8138 119.8053 59.6630 29.8570 176.3338 12 H 4.4838 8.1430 117.7632 58.0608 30.0310 175.8717 13 E 4.0665 8.2201 120.1899 57.0317 29.6139 175.8984 14 D 4.5053 8.6190 117.9766 54.7740 39.5050 176.0437 15 S 4.0860 7.6395 116.2716 61.0993 62.6584 175.9030 16 W 4.5416 8.3856 119.0134 59.2566 27.1008 177.7775 17 R 3.3255 7.0440 119.2315 58.2948 29.3107 177.8874 18 L 4.0216 8.1205 118.7308 56.9877 41.4900 179.0768 19 F 4.2400 7.7221 118.1996 60.6979 38.9153 177.5507 20 R 3.9984 8.1315 117.7666 59.4084 30.0256 178.2533 21 I 3.3958 7.3422 118.7448 64.2158 37.0534 178.1992 22 L 4.1057 8.3947 121.3301 58.0836 41.9642 178.7932 23 A 4.0484 8.3835 121.2208 55.2504 18.2944 179.5110 24 E 3.8192 8.5535 117.5265 59.2981 29.4133 179.5856 25 F 3.8248 7.7429 117.7429 60.3676 38.9971 177.5061 26 V 3.5369 7.6069 117.7337 66.2431 31.2955 177.5623 27 E 4.1900 8.1890 118.7775 59.2056 29.3780 178.9373 28 G 3.6019 7.9445 105.6283 47.8956 0.0000 175.6388 29 F 4.6959 8.6167 120.9968 60.4244 39.0253 177.1980 30 E 4.0109 8.7669 118.5112 60.1037 29.1074 179.7138 31 T 3.8368 8.1832 114.3789 66.8328 69.0657 176.5994 32 L 3.8935 7.9914 121.2268 57.5486 41.3705 179.7210 33 S 3.8730 7.6405 113.4133 60.4311 62.9904 175.3320 34 E 4.2816 7.2537 118.3675 55.6560 30.2493 176.5595 35 L 4.1058 6.9694 120.0620 55.2312 42.1754 177.0076 36 Q 4.3417 8.4670 119.3661 56.2003 29.6923 176.1503 37 V 4.3670 7.2496 110.4242 58.5106 34.2055 173.5941 38 P 4.4708 0.0000 0.0000 62.7668 32.6099 175.2337 39 L 5.0516 8.4853 123.2133 53.1968 44.2662 175.3679 40 V 4.4664 8.4435 123.6813 61.0397 33.7916 174.6625 41 S 4.7486 8.3442 125.2294 58.2214 64.2468 173.5999 42 V 4.4831 8.2312 124.1749 60.9419 34.7280 174.2395 43 F 5.0331 8.5977 124.4031 55.9262 43.6017 173.8871 44 G 4.2896 8.3567 106.7164 45.7948 0.0000 172.7159 45 S 4.2385 8.1964 115.0542 58.3097 62.6618 175.0213 46 A 4.3344 8.6943 128.8088 53.7747 18.6633 178.0100 47 R 4.2524 7.6049 113.5528 56.2356 31.3258 176.7115 48 F 4.8301 7.6940 117.5770 56.3900 38.5832 175.1897 49 G 4.2889 8.2446 117.5049 43.9223 0.0000 170.5680 50 E 3.0059 7.9079 118.3668 57.9831 29.8208 175.5939 51 G 4.1888 8.7215 112.9058 46.3531 0.0000 174.6682 52 H 3.9810 7.9806 119.2089 55.5529 31.2075 173.9109 53 P 4.2257 0.0000 0.0000 66.0719 31.1832 178.6596 54 A 4.0564 8.1250 118.8389 55.0573 18.2753 178.9643 55 Y 3.8997 8.0412 117.6304 61.0288 39.1152 177.6748 56 E 4.1138 8.6170 119.3441 59.6445 29.6140 179.4000 57 A 4.1950 8.4855 120.9651 54.8306 18.3077 180.0042 58 G 3.4538 8.1688 104.4437 48.1323 0.0000 175.2667 59 Y 4.0662 8.1277 122.8849 60.4678 38.8161 178.5213 60 R 3.9320 8.2249 118.9078 58.8646 30.0987 178.9442 61 L 3.9423 7.9768 120.5107 57.9680 42.1316 178.9397 62 G 3.4763 8.1269 106.0061 47.8447 0.0000 175.0131 63 R 4.0127 7.8965 123.0116 58.3201 29.6997 178.2224 64 A 3.9907 7.9408 119.9668 55.2287 18.2963 179.6450 65 L 3.8512 8.0137 117.2409 57.8713 41.7820 179.5910 66 A 4.4674 7.9234 122.1670 54.5113 18.1663 178.8025 67 E 4.2267 8.0892 113.9167 57.3018 29.7519 177.7487 68 A 4.6688 7.5194 119.7424 51.4264 20.1813 177.3169 69 G 3.7598 7.9272 105.4421 44.6040 0.0000 174.0384 70 F 4.6938 8.3502 118.9118 56.6931 40.9867 175.1007 71 G 4.3298 9.0978 108.4131 44.8232 0.0000 172.8001 72 V 4.9727 8.5441 114.3110 59.2186 35.1080 175.1119 73 V 4.8886 8.4470 123.7571 61.5104 34.2967 174.4627 74 T 5.2916 8.2214 117.4753 58.5494 72.3117 174.6386 75 G 3.9530 9.1418 107.9934 45.7279 0.0000 174.4792 76 G 3.9335 8.5350 108.3590 46.1638 0.0000 174.1969 77 G 4.5263 7.7557 109.4377 43.1909 0.0000 171.8187 78 P 4.6169 0.0000 0.0000 63.1801 33.7941 177.5278 79 G 4.1274 8.7502 108.3238 46.9541 0.0000 176.7012 80 V 4.0060 8.5456 111.1680 61.1811 31.1303 177.8510 *82 E 4.2666 8.3262 121.6829 56.2826 31.6575 177.1384 83 A 3.7421 7.7825 120.3685 55.0533 18.2477 179.8495 84 V 3.5905 7.9323 116.9287 66.0791 31.7097 178.1112 85 N 4.4545 7.9880 117.1860 55.6523 38.4515 177.2048 86 R 3.5930 8.6372 120.5988 59.2460 30.0435 178.6540 87 G 2.5812 8.1430 105.6492 47.5036 0.0000 175.3924 88 A 3.9795 7.7166 122.5137 54.5674 18.5426 178.8970 89 Y 3.9743 8.4158 118.5377 61.1440 38.7587 178.4583 90 E 4.1470 8.3366 117.9097 58.8772 29.7094 177.9803 91 A 4.1066 7.7410 119.3284 52.2304 18.9935 178.0186 92 G 3.6954 8.4470 104.5815 45.1632 0.0000 173.9895 93 G 3.9563 7.8103 107.6202 44.7000 0.0000 173.8530 94 V 3.9682 8.1586 119.7785 62.7394 33.0779 174.7444 95 S 4.8979 8.9779 121.7598 56.7994 65.2151 172.4465 96 V 4.6847 9.1719 128.3855 61.3078 33.8379 174.7097 97 G 4.3065 8.8254 113.4218 44.5250 0.0000 172.1080 98 L 4.5755 8.6217 127.1209 52.8867 40.7235 174.6321 99 N 4.6515 9.0989 119.9939 52.5040 39.8976 173.6846 100 I 4.4681 8.1920 123.9740 59.3988 39.9194 174.4264 101 E 4.9174 8.4144 128.9588 54.7665 29.9218 175.9433 102 L 4.8095 10.1551 124.9115 51.9265 44.8564 175.1868 103 P 4.2990 0.0000 0.0000 65.2648 31.7645 177.1650 104 H 4.8320 7.6295 114.7205 53.4221 28.2555 173.1843 105 E 4.1404 7.7483 121.3148 57.6678 30.0837 175.7300 106 Q 4.6580 8.0499 115.2963 55.7310 31.6394 174.1199 107 K 4.0336 8.8152 124.7942 55.9665 32.7627 174.9825 108 P 4.5151 0.0000 0.0000 62.0153 31.9411 176.4762 109 N 4.4374 8.1858 119.5344 52.5755 37.6406 172.4243 110 P 4.4751 0.0000 0.0000 63.5944 31.9002 175.4718 111 Y 3.9356 7.6538 114.5972 58.6950 38.7947 175.7377 112 Q 4.7981 7.7548 118.5631 54.4279 30.6797 176.1346 113 T 4.2599 9.4038 121.4984 66.3141 69.3811 174.9591 114 H 4.9593 8.2717 117.4071 53.6968 32.6016 172.4747 115 A 5.1664 8.7310 124.2069 50.0716 21.2988 175.0213 116 L 4.6801 8.9807 122.9979 52.8476 45.0135 175.6210 117 S 4.9492 8.6143 117.5823 56.7082 63.9891 172.8804 118 L 4.8131 9.4055 128.4044 53.1316 44.1150 177.5729 119 R 3.8254 9.0818 121.4168 56.8886 31.1627 176.5937 120 Y 4.5608 7.1277 114.6679 55.5671 40.8116 176.4471 121 F 4.1533 8.8180 123.8347 60.7032 39.2329 177.7821 122 F 4.5560 8.4781 113.8424 59.9975 37.5756 177.6142 123 V 3.3744 6.6949 118.1868 65.6963 31.3469 177.7246 124 R 3.8062 7.7808 118.4064 59.4109 29.4413 178.6770 125 K 4.4499 8.9049 118.6618 59.6080 32.1607 179.5264 126 V 3.9303 8.3047 118.5895 66.1806 31.3173 178.1234 127 L 4.6086 8.2608 117.6637 57.6548 41.4832 179.1335 128 F 4.6532 8.1469 116.8187 59.6401 39.1410 176.9650 129 V 4.5011 7.7382 116.2015 64.6212 31.9672 177.5008 130 R 3.7320 8.2457 118.2204 59.2428 29.8106 176.7169 131 Y 4.6356 7.9414 112.3191 57.4551 38.7947 174.9089 132 A 4.4621 7.7412 122.6631 51.2605 19.9372 178.6642 133 V 2.9159 8.2202 114.7644 59.7394 32.2322 176.1166 134 G 4.2060 5.7675 109.9837 46.2914 0.0000 171.6899 135 F 5.4844 8.7445 118.2696 55.5267 43.4616 174.3212 136 V 4.9706 8.7927 122.5331 61.1551 34.7967 173.9383 137 F 5.3524 9.8256 126.9099 56.0065 41.0570 175.3576 138 L 5.1132 9.1971 124.6159 52.4615 43.9871 174.8306 139 P 3.5202 0.0000 0.0000 63.5493 31.8226 176.0889 140 G 4.3660 7.6130 112.0573 44.8185 0.0000 171.4292 141 G 4.1195 8.2211 111.0486 44.4563 0.0000 175.0078 142 F 4.5773 9.1169 119.5106 60.7998 38.9005 177.3264 143 G 3.6892 8.2316 104.6679 48.2579 0.0000 175.7078 144 T 4.1056 7.9632 117.6891 66.3129 68.5428 176.5601 145 L 4.0598 8.1853 122.4327 57.8571 42.1989 178.3860 146 D 4.2371 8.2472 118.3579 57.4667 41.1944 178.1643 147 E 3.8045 8.0750 118.8414 59.1487 29.3463 178.9996 148 L 3.0311 7.7799 120.5263 57.9989 42.0844 179.0915 149 S 4.0665 8.1559 114.4115 61.3842 62.6520 176.1363 150 E 3.8338 7.9268 122.2902 59.1732 29.4877 178.9969 151 V 3.4292 7.6925 118.2524 65.7176 31.4649 177.8023 152 L 3.9215 8.1253 119.2174 57.7969 41.4063 179.4945 153 V 3.5136 7.6968 117.8462 66.2219 31.4270 177.7755 154 L 3.9667 7.8400 118.4894 57.9506 41.3937 179.8546 155 L 3.9700 8.0401 118.5435 57.9373 41.5299 179.0121 156 Q 3.9087 8.2084 118.4199 59.3212 29.0220 177.7107 157 T 4.1710 8.0824 111.2091 61.2829 67.7322 173.9733 158 E 3.8247 8.0469 118.1750 58.2076 27.4734 175.8675 159 K 4.2291 8.3991 120.1663 58.1586 32.6096 178.0467 160 V 4.5888 7.3512 110.3136 59.0395 35.2590 174.8016 161 H 4.0943 8.8759 122.2877 56.0697 30.2406 175.1404 162 R 4.1525 7.8513 124.6123 57.0839 30.5771 175.3865 163 F 4.9202 8.1097 117.9501 55.8957 43.2007 172.2280 164 P 4.5117 0.0000 0.0000 62.8835 32.7781 175.4473 165 V 5.2613 8.3150 123.0422 61.2855 34.5710 173.9569 166 F 5.4359 9.6283 126.1732 55.6397 42.9265 174.2205 167 L 4.9219 8.9907 122.5077 52.9589 44.0078 175.5107 168 L 4.8323 9.2966 125.2272 55.0261 43.0837 174.7711 169 D 4.7597 9.4087 124.2224 54.5588 39.7913 174.5829 170 R 4.2869 9.2739 123.8248 59.2553 30.2040 178.6085 171 G 3.7434 8.2553 103.0640 47.8158 0.0000 174.6286 172 Y 4.0676 8.1813 120.9629 59.9989 39.1914 177.0549 173 W 4.6208 8.2551 118.4253 57.2373 29.5241 177.7592 174 E 4.1355 8.3237 120.9164 59.5289 28.8555 178.7321 175 G 3.8266 8.2291 104.8505 47.9679 0.0000 175.0494 176 L 4.1255 7.9448 122.4719 57.8207 42.3059 178.7142 177 V 3.7388 8.0206 118.2099 66.4447 31.4205 178.2328 178 R 4.0479 8.3637 117.6060 59.0162 29.8343 178.8521 179 W 4.3412 8.2098 128.4206 60.5450 30.7395 178.0846 180 L 3.7687 8.5094 118.8803 57.5523 40.9454 179.3240 181 A 4.0529 8.0821 120.9788 54.8330 18.1896 179.4738 182 F 4.0974 8.2357 119.5185 61.3354 39.4505 177.3849 183 L 3.4512 7.7467 118.9223 57.5977 41.3335 179.5029 184 R 3.8911 7.8298 118.6139 59.3800 29.7453 178.3424 185 D 4.3055 7.7920 118.2031 57.1361 40.9074 177.9445 186 Q 3.9601 7.5504 115.8214 55.4562 28.7815 176.3440 187 K 3.7747 7.4914 118.0879 57.2976 30.0575 176.8516 188 A 4.1191 8.2352 124.5704 53.8293 18.7164 179.1551 189 V 4.4349 7.2029 107.1875 58.8986 35.2751 175.5780 190 G 3.8284 8.5620 110.8934 44.9240 0.0000 172.9288 191 P 4.1677 0.0000 0.0000 64.7250 31.6683 177.5201 192 E 4.4983 7.8606 115.0441 55.9637 30.5460 177.2994 193 D 4.3440 7.6578 120.9980 57.2089 40.9408 178.2843 194 L 3.9295 7.6290 116.7964 56.3352 41.6455 177.3680 195 Q 3.9942 7.6572 117.2730 55.9627 28.9251 177.5507 196 L 3.8141 7.3368 118.5676 56.5531 41.7640 176.3217 197 F 5.1895 6.5250 111.9734 55.0515 41.5265 174.4282 198 R 4.6996 8.7535 116.6513 54.5906 34.3260 174.5687 199 L 5.2744 8.6152 122.8666 54.2028 43.4922 175.7712 200 T 4.7522 8.6361 110.8971 61.3949 72.3525 173.6710 201 D 4.9873 8.9474 119.8222 53.8353 42.4416 175.6988 202 E 4.6597 7.8759 120.9802 53.2875 32.0274 174.2736 203 P 4.2189 0.0000 0.0000 65.7900 31.4952 178.1054 204 E 3.9101 8.3085 116.8470 59.9243 29.3292 179.3891 205 E 3.9863 7.9739 118.2868 59.1689 29.4602 179.6430 206 V 2.7707 7.6565 118.3464 65.7974 31.5131 178.2784 207 V 3.2862 7.4670 117.4117 65.9032 31.1086 177.8061 208 Q 3.9597 7.9204 116.7223 58.9801 28.6723 178.2816 209 A 4.2066 7.6720 120.4947 55.1705 18.4500 179.3566 210 L 4.2177 7.4505 116.8120 57.2064 41.9351 179.9699 211 K 4.6458 8.1909 120.2259 55.4837 32.2392 176.4602 212 A 4.1902 7.9356 125.8980 52.5872 18.9447 176.9414 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 6 L 8.04 4.35 0.00 1.87 2.01 0.94 0.30 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 7 I 7.96 3.55 1.88 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 1.65 0.45 0.92 0.00 0.00 8 D 8.22 4.38 0.00 2.71 2.74 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 9 Q 8.15 4.02 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 10 L 7.85 4.13 0.00 1.87 1.85 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.81 4.42 0.00 3.43 3.68 0.00 5.78 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 12 H 8.14 4.48 0.00 3.22 3.52 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.22 4.07 0.00 2.25 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 2.26 2.32 0.00 14 D 8.62 4.51 0.00 2.75 2.43 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 15 S 7.64 4.09 0.00 3.92 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 16 W 8.39 4.54 0.00 3.88 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 17 R 7.04 3.33 0.00 1.47 1.59 0.00 2.21 0.00 0.00 2.58 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 18 L 8.12 4.02 0.00 1.48 1.54 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.72 4.24 0.00 3.27 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 20 R 8.13 4.00 0.00 2.01 2.05 0.00 3.37 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 21 I 7.34 3.40 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.18 0.85 0.00 0.00 22 L 8.39 4.11 0.00 2.08 1.87 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.38 4.05 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 24 E 8.55 3.82 0.00 1.78 1.74 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 2.23 2.55 0.00 25 F 7.74 3.82 0.00 3.07 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 0.00 0.00 0.00 0.00 26 V 7.61 3.54 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 0.99 0.00 0.00 1.00 0.00 0.00 27 E 8.19 4.19 0.00 2.13 1.87 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 2.28 2.32 0.00 28 G 7.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.62 4.70 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.77 4.01 0.00 2.25 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 2.39 2.57 0.00 31 T 8.18 3.84 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 1.13 0.00 0.00 32 L 7.99 3.89 0.00 1.21 1.12 0.98 0.74 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 33 S 7.64 3.87 0.00 4.10 4.06 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 0.00 0.00 0.00 0.00 34 E 7.25 4.28 0.00 2.25 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 2.50 2.26 0.00 35 L 6.97 4.11 0.00 1.75 1.56 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.47 4.34 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 37 V 7.25 4.37 2.22 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 0.68 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0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 114 H 8.27 4.96 0.00 3.07 3.14 0.00 5.75 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 0.00 115 A 8.73 5.17 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 0.00 116 L 8.98 4.68 0.00 1.51 1.46 0.88 0.36 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 0.00 117 S 8.61 4.95 0.00 3.78 3.68 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 0.00 0.00 0.00 0.00 118 L 9.41 4.81 0.00 1.24 1.43 0.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.08 3.83 0.00 1.68 1.89 0.00 2.94 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 120 Y 7.13 4.56 0.00 2.43 2.28 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 0.00 121 F 8.82 4.15 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.48 4.56 0.00 3.36 3.46 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 0.00 123 V 6.69 3.37 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 0.34 0.00 0.00 -0.57 0.00 0.00 124 R 7.78 3.81 0.00 1.86 2.26 0.00 3.42 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 125 K 8.90 4.45 0.00 2.26 2.27 0.00 1.96 0.00 0.00 2.07 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 2.01 1.96 7.81 126 V 8.30 3.93 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 1.21 0.00 0.00 1.31 0.00 0.00 127 L 8.26 4.61 0.00 1.79 1.77 0.87 1.05 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 0.00 128 F 8.15 4.65 0.00 3.54 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 0.00 129 V 7.74 4.50 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 1.28 0.00 0.00 1.26 0.00 0.00 130 R 8.25 3.73 0.00 2.02 1.79 0.00 3.36 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.33 0.00 131 Y 7.94 4.64 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.74 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.22 2.92 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 0.66 0.00 0.00 1.05 0.00 0.00 134 G 5.77 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 0.00 0.00 0.00 0.00 135 F 8.74 5.48 0.00 3.22 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 0.00 136 V 8.79 4.97 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 1.09 0.00 0.00 0.85 0.00 0.00 137 F 9.83 5.35 0.00 2.82 3.20 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 0.00 138 L 9.20 5.11 0.00 1.78 1.72 0.94 1.14 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 0.00 139 P 0.00 3.52 0.00 1.63 0.49 0.00 3.62 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 140 G 7.61 4.37 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 0.00 141 G 8.22 4.12 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 0.00 0.00 0.00 142 F 9.12 4.58 0.00 2.92 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 0.00 143 G 8.23 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 0.00 144 T 7.96 4.11 4.44 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 1.76 0.00 0.00 145 L 8.19 4.06 0.00 2.01 1.84 0.87 1.16 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 0.00 146 D 8.25 4.24 0.00 2.85 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 0.00 147 E 8.08 3.80 0.00 1.82 1.18 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 2.19 1.73 0.00 148 L 7.78 3.03 0.00 1.37 1.37 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.16 4.07 0.00 4.02 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 0.00 150 E 7.93 3.83 0.00 2.08 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 2.33 2.32 0.00 151 V 7.69 3.43 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 0.49 0.00 0.00 0.21 0.00 0.00 152 L 8.13 3.92 0.00 1.76 1.68 0.77 0.78 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 0.00 153 V 7.70 3.51 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 1.11 0.00 0.00 0.99 0.00 0.00 154 L 7.84 3.97 0.00 1.75 1.77 0.98 0.74 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 0.00 155 L 8.04 3.97 0.00 1.99 1.71 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.21 3.91 0.00 1.97 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 157 T 8.08 4.17 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 1.32 0.00 0.00 158 E 8.05 3.82 0.00 2.14 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 2.21 2.23 0.00 159 K 8.40 4.23 0.00 1.74 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.56 7.81 160 V 7.35 4.59 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 0.80 0.00 0.00 1.14 0.00 0.00 161 H 8.88 4.09 0.00 3.10 3.18 0.00 5.74 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 0.00 162 R 7.85 4.15 0.00 1.69 1.65 0.00 3.40 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 1.58 1.73 0.00 163 F 8.11 4.92 0.00 3.34 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 0.00 164 P 0.00 4.51 0.00 2.59 2.30 0.00 4.02 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 165 V 8.31 5.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.19 0.00 0.00 166 F 9.63 5.44 0.00 3.10 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 0.00 167 L 8.99 4.92 0.00 1.20 0.25 -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 168 L 9.30 4.83 0.00 1.68 1.75 0.97 1.27 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 0.00 169 D 9.41 4.76 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 9.27 4.29 0.00 2.04 2.11 0.00 3.44 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 171 G 8.26 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 0.00 172 Y 8.18 4.07 0.00 3.22 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 0.00 173 W 8.26 4.62 0.00 3.48 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 0.00 174 E 8.32 4.14 0.00 2.25 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 2.38 2.44 0.00 175 G 8.23 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 0.00 176 L 7.94 4.13 0.00 1.91 1.88 1.15 1.07 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 0.00 177 V 8.02 3.74 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.10 0.00 0.00 178 R 8.36 4.05 0.00 2.02 2.06 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 179 W 8.21 4.34 0.00 3.35 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.51 3.77 0.00 2.04 1.77 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.08 4.05 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 0.00 182 F 8.24 4.10 0.00 3.13 3.08 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 0.00 183 L 7.75 3.45 0.00 1.61 1.37 0.19 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.83 3.89 0.00 1.81 2.03 0.00 3.03 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 185 D 7.79 4.31 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 7.55 3.96 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 187 K 7.49 3.77 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.29 7.81 188 A 8.24 4.12 1.08 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 0.00 0.00 189 V 7.20 4.43 2.15 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 0.65 0.00 0.00 0.86 0.00 0.00 190 G 8.56 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 0.00 191 P 0.00 4.17 0.00 2.00 2.08 0.00 3.60 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 1.98 2.06 0.00 192 E 7.86 4.50 0.00 1.91 1.87 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 2.25 2.19 0.00 193 D 7.66 4.34 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 194 L 7.63 3.93 0.00 1.48 1.47 0.99 0.92 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 0.00 195 Q 7.66 3.99 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 196 L 7.34 3.81 0.00 1.79 1.76 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 197 F 6.52 5.19 0.00 2.63 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 0.00 198 R 8.75 4.70 0.00 1.25 1.70 0.00 3.03 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 199 L 8.62 5.27 0.00 1.63 1.70 1.01 1.08 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 0.00 200 T 8.64 4.75 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 1.43 0.00 0.00 201 D 8.95 4.99 0.00 2.71 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 0.00 202 E 7.88 4.66 0.00 2.09 1.86 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 2.27 2.57 0.00 203 P 0.00 4.22 0.00 2.17 2.05 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 204 E 8.31 3.91 0.00 2.04 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 2.41 2.49 0.00 205 E 7.97 3.99 0.00 2.13 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 2.35 2.34 0.00 206 V 7.66 2.77 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 0.33 0.00 0.00 0.73 0.00 0.00 207 V 7.47 3.29 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 1.08 0.00 0.00 0.86 0.00 0.00 208 Q 7.92 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 209 A 7.67 4.21 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 0.00 210 L 7.45 4.22 0.00 1.36 1.33 0.36 0.90 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 0.00 211 K 8.19 4.65 0.00 2.05 2.13 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.54 7.81 212 A 7.94 4.19 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 * Residues marked with a * may have inaccurate shift predictions.