NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4516 8.3193 116.7943 58.5859 64.1946 172.7122 11 Q 3.9102 8.4830 118.4376 59.3097 29.1765 175.1909 12 D 4.4303 8.0344 119.7815 52.7943 43.2292 177.8138 13 L 3.8989 8.7051 126.3706 58.6521 41.8731 179.3922 14 S 4.0361 8.9270 114.0915 61.6299 62.7329 176.4290 15 E 3.9814 8.1009 121.3372 59.0276 29.3252 178.8440 16 A 4.0846 8.1134 120.8571 55.0143 18.3651 179.7739 17 L 3.8249 8.1096 117.8709 57.7952 41.4351 179.5598 18 K 4.0738 7.6180 118.2826 59.4493 32.5248 178.2049 19 E 4.0501 8.3166 119.4454 59.2679 29.4153 178.6950 20 A 4.1636 8.1641 120.0182 54.3379 18.7167 178.6328 21 T 4.1658 7.6836 106.3486 61.4376 69.3112 176.3076 22 K 3.7872 7.4687 123.2496 59.9247 32.1376 178.2989 23 E 3.8868 7.9384 118.8254 59.4636 29.8244 178.9854 24 V 3.7250 7.5038 111.3195 63.7971 31.6079 177.9915 25 H 4.0740 7.8328 118.7408 59.2731 29.7481 177.2188 26 I 4.0550 7.5886 122.5902 63.8913 36.6572 178.4357 27 R 3.9535 7.8894 118.6275 59.2551 30.0421 178.1601 28 A 4.3494 8.0317 120.8115 55.2013 17.9781 179.4945 29 E 3.9762 8.4135 117.1518 59.1037 29.3341 178.2575 30 N 4.7469 7.8653 114.2155 52.4719 39.2483 175.5082 31 S 4.3563 7.2847 116.9131 57.8017 64.2047 173.6166 32 E 4.0330 9.2677 125.6732 59.7213 29.5785 179.2521 33 F 4.0305 8.3899 115.9161 59.6313 39.2860 176.3308 *35 R 4.2543 8.0814 119.2964 56.1920 32.0174 177.6513 36 N 4.2875 8.1024 115.0489 56.2968 38.9677 177.1367 37 F 3.9685 7.9832 120.1164 61.4154 39.4967 177.1099 38 Q 3.9119 8.1832 117.7076 58.6367 28.5278 177.5221 39 K 4.2294 7.6714 114.7487 56.6679 32.6879 177.6292 40 G 3.8889 8.4780 107.8823 45.8941 0.0000 174.7562 41 Q 4.3123 8.0892 122.6930 54.0120 27.4545 173.8901 42 V 4.1726 7.4146 119.5269 58.3617 34.6332 176.6381 43 S 4.7609 8.1564 117.6920 56.6397 66.6572 175.4188 44 R 3.8855 8.3592 121.2301 59.3104 29.8229 179.0181 45 E 3.9541 8.1541 118.8014 59.1387 29.7788 178.9212 46 G 3.6898 7.9673 105.4673 47.9368 0.0000 175.4689 47 F 4.2135 8.5104 123.8132 60.6276 39.2025 177.4282 48 K 3.3729 7.6307 118.2278 59.0918 31.7335 178.9843 49 L 3.9927 7.7695 119.1303 58.1927 41.6264 180.1155 50 V 3.5817 7.6129 111.9253 64.7278 31.4785 178.8181 51 T 3.6693 7.5095 115.0367 66.3534 67.8934 176.5337 52 A 3.9401 8.1547 122.7009 55.3632 18.5035 179.7131 53 S 4.2199 8.2916 113.9041 62.0360 62.9222 177.1807 54 L 4.0099 8.4877 121.7937 57.5721 41.2903 178.8438 55 Y 4.1064 7.9168 119.8610 60.9586 38.5899 178.0247 56 H 3.7310 7.7256 116.5747 58.7683 28.7980 177.6708 57 I 3.2536 7.3646 121.4355 64.7473 36.8549 178.2266 58 Y 3.9224 8.1746 117.5728 60.8655 37.6096 178.4976 59 T 3.7105 7.7586 116.7011 66.5718 68.6404 176.4638 60 A 3.9145 7.9600 122.7903 54.9265 18.3471 179.4301 61 L 3.7793 8.0392 119.2307 58.3822 42.2415 178.8985 62 E 4.2331 8.6476 117.9806 58.3653 29.1244 178.6543 63 E 4.0407 7.9179 119.7140 59.0848 29.5884 178.3574 64 E 4.0277 8.1723 118.4829 58.9244 29.5376 179.3202 65 I 3.3735 7.6625 120.1106 64.4434 36.7265 178.1734 66 E 4.0938 8.2533 119.3837 59.5904 29.0334 179.5247 67 R 4.0298 7.5758 117.4871 58.3295 30.3206 176.7891 68 N 4.9902 7.7851 114.7845 52.5205 39.5321 176.3700 69 K 3.8723 7.7286 120.3070 59.3685 32.3630 178.1744 70 Q 4.4072 7.6989 115.7886 55.5685 29.8024 175.0124 71 N 4.4951 8.1016 119.0075 52.5095 39.6797 173.7230 72 P 4.1901 0.0000 0.0000 65.9293 31.5533 178.3873 73 V 3.9147 7.9204 109.3162 63.0357 31.8336 176.1210 74 Y 4.5058 7.6877 117.5414 58.5625 41.8415 177.4221 75 A 4.1190 8.8794 122.7746 55.4184 18.6177 177.7107 76 P 4.1918 0.0000 0.0000 64.6338 31.4323 177.0774 77 L 4.1639 7.5794 117.0441 54.1546 41.6699 175.9131 78 Y 4.4268 7.2713 120.8061 57.6399 38.4833 175.9206 79 F 4.9356 8.1941 128.6129 54.9876 40.1526 174.0301 80 P 3.4647 0.0000 0.0000 65.7881 31.5040 179.3666 81 E 4.0497 7.9793 117.0818 58.7409 29.7205 178.0787 82 E 4.0675 8.2129 117.0918 58.2763 29.9856 177.2785 83 L 4.5514 8.0056 117.1271 55.9491 43.3684 177.0399 84 H 4.3540 7.4173 113.0501 57.1746 29.0119 175.5597 85 R 4.2078 9.9222 122.7768 56.0165 30.8967 178.3788 86 R 3.8733 8.3456 119.5028 59.4415 30.0648 178.0865 87 A 3.9481 7.9789 119.5615 55.2270 18.5700 179.2230 88 A 3.8428 7.8342 118.7269 55.3518 18.3494 179.7266 89 L 3.8590 7.9930 117.4586 57.7453 41.6077 179.5726 90 E 2.9836 7.8856 118.7618 59.0023 29.4273 179.3330 91 Q 3.9149 7.7640 118.2171 58.9090 28.6429 178.5292 92 D 4.4572 7.9170 119.7636 57.3737 40.8439 178.7658 93 L 4.1578 7.9096 119.4781 57.7504 41.4944 179.4190 94 A 4.2375 7.6720 120.7263 55.0406 18.0556 179.4898 95 F 3.9741 7.8104 117.8456 61.3545 39.5904 177.1759 96 W 4.1683 8.5430 117.4518 59.0112 29.0721 177.3291 97 Y 4.7418 9.1964 114.0426 56.7951 39.0202 176.2571 98 G 4.0475 8.3335 106.5494 43.8602 0.0000 172.4257 99 P 4.3504 0.0000 0.0000 65.7420 31.4839 177.0647 100 H 4.7229 7.9545 114.0290 55.3216 29.3961 177.0031 101 W 4.3347 8.2521 120.6625 60.2024 27.3556 177.2047 102 Q 3.1465 6.0888 117.0037 58.3641 28.0895 178.6588 103 E 4.2359 7.6530 115.8472 57.0767 30.0415 177.5316 104 A 4.3395 7.7680 120.5520 52.6042 19.7902 177.9379 105 I 3.3732 6.9704 110.7262 59.8714 38.2336 174.2332 106 P 4.6458 0.0000 0.0000 63.1003 32.1909 176.2528 107 Y 5.0807 7.9763 119.0803 55.0476 39.1229 174.8259 108 T 4.0462 7.9500 114.8637 60.4249 71.1859 173.2802 109 P 4.0493 0.0000 0.0000 65.8303 31.5218 178.9166 110 A 3.9644 8.3026 119.3823 55.3298 18.1680 179.8892 111 T 3.9193 7.7888 113.8908 66.9394 68.4706 177.0137 112 Q 3.9316 7.9726 120.0522 59.1430 28.7549 178.3020 113 H 4.0670 8.4794 119.5216 59.1363 29.8376 176.8654 114 Y 4.0691 7.9016 121.1981 60.7265 38.4955 177.6615 115 V 3.4860 7.9749 118.2646 65.8354 31.8324 177.4791 116 K 4.0215 8.3055 119.4615 59.7047 32.0749 178.4277 117 R 4.1047 7.7012 119.5893 58.9619 29.9450 178.4225 118 L 3.8949 7.9687 118.4151 57.9296 41.4236 179.1407 119 H 4.5322 8.1918 116.2354 58.4140 28.3983 177.4434 120 E 3.9333 8.1193 120.0524 59.4702 29.3158 179.0979 121 V 3.7934 7.8229 118.0379 66.3208 31.4348 178.3407 122 G 3.9232 7.3118 105.4315 47.0183 0.0000 175.6350 123 G 3.7029 8.2693 107.6906 47.4148 0.0000 175.2361 124 T 4.4754 8.4754 110.3596 60.7640 71.2401 173.6733 125 H 5.0785 8.2419 119.3811 53.6204 29.7390 172.8182 126 P 4.2311 0.0000 0.0000 65.9920 31.2936 178.1761 127 E 4.2705 8.2364 114.3342 57.6582 29.9335 177.4932 128 L 4.6006 8.2443 119.7944 54.8667 42.3755 177.7593 129 L 4.1069 7.8479 121.6729 57.9581 41.8864 178.8845 130 V 3.9590 8.2311 118.7061 65.0741 31.1405 177.9716 131 A 4.1512 8.0610 121.1517 55.4237 18.2805 179.3991 132 H 4.2001 8.2652 113.9270 58.7953 28.8710 177.7654 133 A 4.0380 8.5696 122.8564 55.1550 18.3362 178.8923 134 Y 4.2507 8.7709 118.5153 61.3749 38.4742 178.4499 135 T 3.3689 7.9208 116.2507 66.6082 68.5653 176.8049 136 R 3.6912 7.6360 119.3583 59.3294 30.2540 178.6036 137 Y 4.4110 7.6811 116.4169 61.3940 37.8979 178.9563 138 L 4.0865 7.8547 119.6347 57.4100 41.5421 179.9018 139 G 3.5617 7.5078 106.5343 47.7902 0.0000 175.6057 140 D 4.6096 8.2936 121.2886 56.9280 40.6847 177.9120 141 L 4.3079 7.5985 116.4159 53.4414 42.1425 176.7814 142 S 4.3947 8.0257 113.5698 58.2570 64.0542 176.2483 143 G 3.8532 9.6490 115.8614 48.7636 0.0000 174.7077 144 G 4.1308 8.3403 109.0834 47.3237 0.0000 175.7785 145 Q 4.0242 8.3720 120.3670 58.4836 28.5319 178.9977 146 V 3.3698 7.4652 118.9217 66.0402 31.7342 177.9194 147 L 3.5335 7.9908 119.1268 57.2613 41.2515 179.2904 148 K 2.9714 7.5313 119.7007 59.2517 31.8041 178.6771 149 K 3.8574 7.3264 119.2757 59.5667 32.0059 178.8237 150 I 3.7679 7.4660 120.0394 64.2370 36.9344 178.3105 151 A 3.8794 8.3946 122.1840 55.1300 18.0586 179.4942 152 Q 3.8529 8.0331 117.9992 58.7143 29.0136 178.6117 153 K 3.9866 7.6462 118.0404 59.0323 32.2809 178.9911 154 A 3.9552 8.0653 120.8802 54.6521 18.3780 178.2050 155 L 4.3750 7.9497 112.8386 53.8480 42.4824 176.9199 156 A 3.7778 7.5607 120.2483 53.1776 16.0833 176.7224 157 L 4.4833 7.8191 122.1045 51.9347 43.8555 175.9636 158 P 4.2507 0.0000 0.0000 62.9956 31.5631 177.9721 159 S 4.5625 8.9064 116.9031 60.0702 62.9617 175.3387 160 S 4.1680 7.8317 114.6086 59.2565 63.4545 174.9299 161 G 3.9580 8.3050 110.0079 44.8703 0.0000 173.3938 162 E 3.8414 7.0094 119.7497 57.6588 29.7408 176.7312 163 G 3.8520 8.6979 111.1967 45.0732 0.0000 174.0130 164 L 5.1248 7.7454 118.3105 54.4332 42.6299 178.4019 165 A 4.0113 8.3821 125.2341 55.1077 18.3787 180.4864 166 S 3.9883 8.2608 109.0829 59.9598 63.1201 174.8417 167 F 4.7736 7.9012 118.6627 57.6166 39.5410 175.3705 168 T 4.6196 7.4321 118.5867 61.9283 69.8805 175.0850 169 F 4.5855 8.4800 125.6294 54.1142 38.9221 173.7246 170 P 4.2214 0.0000 0.0000 65.6119 31.3164 178.3259 171 S 4.4830 7.9672 112.4585 58.3491 62.7395 173.4271 172 I 4.4162 7.6666 121.8522 59.4630 39.2204 175.3492 173 D 4.3877 8.8378 126.1650 56.6788 41.2046 176.6428 174 N 4.7442 7.8229 117.5955 50.2103 41.1361 172.3173 175 P 4.1594 0.0000 0.0000 66.5250 30.9572 178.1843 176 T 3.8468 7.9539 115.0298 66.0414 68.5234 176.3404 177 K 3.9565 8.4991 121.4295 59.5571 32.2199 178.6217 178 F 3.9266 8.8198 121.2352 61.2105 39.1150 177.2361 179 K 3.9718 8.5715 118.6424 59.4254 31.8196 179.3349 180 Q 3.9898 7.8296 118.4618 58.8573 28.6120 178.5861 181 L 3.8834 7.5877 121.0785 58.1102 41.8271 178.4049 182 Y 3.7968 7.5439 119.0620 60.5588 38.7671 177.8094 183 R 4.1273 8.2855 118.3936 59.0193 30.2358 178.4236 184 A 4.1861 7.8124 119.5920 55.1821 18.6684 181.5450 185 R 3.9140 7.7992 115.1775 56.4901 29.9838 178.0896 *187 N 4.7314 8.0384 114.3361 53.1498 40.3276 175.2946 188 T 4.2468 7.7522 115.0629 64.5133 69.3788 175.6523 189 L 3.9086 7.7973 121.2687 54.8809 42.0143 175.8636 190 E 4.4491 8.5479 124.5056 54.7428 30.2973 174.8883 191 L 4.4682 7.8948 124.4579 53.5677 43.0329 175.2807 192 T 4.1581 8.1544 111.1516 61.0457 70.9343 173.6682 193 P 4.2505 0.0000 0.0000 65.5206 31.2731 178.6867 194 E 3.9209 8.0782 117.7756 59.3962 29.7329 178.9113 195 V 3.6130 7.7560 118.2822 65.7717 31.5510 177.7392 196 K 3.9030 8.2296 119.5346 59.7830 31.9064 178.2461 197 H 4.1594 8.2847 118.4294 59.3975 29.8480 177.5299 198 R 3.8453 8.1120 119.7479 58.8666 29.8905 179.3956 199 V 3.5806 7.8139 118.6647 66.2181 31.4691 178.2549 200 T 3.8921 7.8781 109.6038 64.7544 68.3845 176.0759 201 E 3.8732 8.3715 122.4381 58.8886 29.6423 178.2074 202 E 4.0373 8.1733 118.8232 58.4875 29.7105 178.3871 203 A 4.1745 7.8754 120.6267 54.7298 18.3881 179.7919 204 K 4.0533 7.8926 117.4616 59.9819 32.1222 179.4800 205 T 3.8432 7.7511 115.8267 66.5765 68.4719 176.3659 206 A 3.7455 8.0040 122.4414 55.2374 18.4447 179.6745 207 F 3.8691 8.4262 116.2322 60.7227 38.8965 177.9455 208 L 4.1383 8.4328 118.9757 57.7684 41.3834 179.6132 209 L 3.7611 7.7757 119.0742 57.4954 41.3388 179.3134 210 N 3.9759 7.5741 116.2247 55.9766 38.4096 177.3535 211 I 3.7604 8.0047 121.5318 64.6500 37.2791 178.0387 212 E 3.8956 8.3660 119.4866 59.7078 29.3245 179.4977 213 L 3.9134 7.5552 119.9776 58.0714 42.1127 179.0636 214 F 4.5030 7.7927 117.8763 60.4315 38.8909 177.6664 215 E 4.1108 8.5701 118.6416 59.1750 29.1642 179.0015 216 E 3.9161 8.2194 119.4609 59.3182 29.7676 178.8640 217 L 3.9434 7.8227 119.0360 57.7983 41.6343 179.2702 218 Q 4.0905 8.2886 119.3067 59.1219 28.7555 178.2654 219 A 4.0321 7.8049 120.9374 55.1378 18.5114 179.2891 220 L 4.1014 8.0003 116.8608 57.9563 41.7635 179.4867 221 L 4.4127 8.2426 118.6527 56.9089 42.1237 177.5932 222 T 4.0201 7.7606 110.5404 62.5256 68.1131 173.9629 223 E 4.6560 8.3149 126.0684 57.6439 30.6056 176.8275 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 10 S 8.32 4.45 0.00 3.87 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 11 Q 8.48 3.91 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 12 D 8.03 4.43 0.00 2.70 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 13 L 8.71 3.90 0.00 1.72 1.79 0.86 0.87 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 14 S 8.93 4.04 0.00 4.07 4.13 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 15 E 8.10 3.98 0.00 2.10 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 2.40 2.31 0.00 16 A 8.11 4.08 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 17 L 8.11 3.82 0.00 1.51 1.15 0.24 0.67 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 18 K 7.62 4.07 0.00 1.80 2.03 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 19 E 8.32 4.05 0.00 2.25 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 2.30 2.46 0.00 20 A 8.16 4.16 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 21 T 7.68 4.17 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 1.42 0.00 0.00 22 K 7.47 3.79 0.00 2.05 1.82 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 23 E 7.94 3.89 0.00 2.04 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 2.35 2.38 0.00 24 V 7.50 3.73 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 0.76 0.00 0.00 0.46 0.00 0.00 25 H 7.83 4.07 0.00 3.07 3.37 0.00 5.59 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 26 I 7.59 4.06 2.03 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 1.42 1.22 0.93 0.00 0.00 27 R 7.89 3.95 0.00 1.96 2.17 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 28 A 8.03 4.35 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.41 3.98 0.00 2.19 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 2.34 2.59 0.00 30 N 7.87 4.75 0.00 2.82 2.88 0.00 0.00 7.05 7.73 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 31 S 7.28 4.36 0.00 4.15 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 32 E 9.27 4.03 0.00 2.09 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 0.00 2.45 2.38 0.00 33 F 8.39 4.03 0.00 3.23 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 *35 R 8.08 4.25 0.00 2.07 1.99 0.00 3.19 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 36 N 8.10 4.29 0.00 2.80 2.98 0.00 0.00 6.71 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.98 3.97 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 38 Q 8.18 3.91 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 39 K 7.67 4.23 0.00 1.83 1.89 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 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0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.97 3.49 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 0.86 0.00 0.00 1.05 0.00 0.00 116 K 8.31 4.02 0.00 2.12 1.77 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 117 R 7.70 4.10 0.00 1.92 2.09 0.00 3.24 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 118 L 7.97 3.89 0.00 1.81 1.49 0.86 0.59 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 0.00 119 H 8.19 4.53 0.00 3.30 3.29 0.00 5.63 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 0.00 120 E 8.12 3.93 0.00 2.16 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 2.41 2.57 0.00 121 V 7.82 3.79 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 1.20 0.00 0.00 1.00 0.00 0.00 122 G 7.31 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 0.00 123 G 8.27 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 0.00 124 T 8.48 4.48 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 1.15 0.00 0.00 125 H 8.24 5.08 0.00 3.17 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.23 0.00 2.24 2.34 0.00 3.81 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 2.11 1.99 0.00 127 E 8.24 4.27 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 128 L 8.24 4.60 0.00 1.86 1.78 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.85 4.11 0.00 1.78 1.81 0.87 0.10 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 0.00 130 V 8.23 3.96 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 1.11 0.00 0.00 1.05 0.00 0.00 131 A 8.06 4.15 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 0.00 132 H 8.27 4.20 0.00 3.48 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.57 4.04 1.90 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 0.00 0.00 134 Y 8.77 4.25 0.00 3.31 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 0.00 135 T 7.92 3.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 136 R 7.64 3.69 0.00 1.39 1.68 0.00 3.16 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.00 137 Y 7.68 4.41 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.85 4.09 0.00 1.53 1.64 1.17 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.51 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.29 4.61 0.00 3.15 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 0.00 141 L 7.60 4.31 0.00 1.52 1.54 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.03 4.39 0.00 3.99 3.56 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 0.00 0.00 0.00 0.00 143 G 9.65 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 0.00 144 G 8.34 4.13 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 0.00 0.00 0.00 145 Q 8.37 4.02 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 146 V 7.47 3.37 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 0.98 0.00 0.00 0.89 0.00 0.00 147 L 7.99 3.53 0.00 1.23 0.75 0.53 -0.12 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 0.00 148 K 7.53 2.97 0.00 1.36 1.75 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.37 7.81 149 K 7.33 3.86 0.00 1.77 1.83 0.00 1.53 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.47 7.81 150 I 7.47 3.77 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 1.04 0.00 0.00 151 A 8.39 3.88 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 0.00 0.00 0.00 0.00 0.00 152 Q 8.03 3.85 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 153 K 7.65 3.99 0.00 1.96 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 154 A 8.07 3.96 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 0.00 155 L 7.95 4.38 0.00 1.76 1.85 0.58 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.56 3.78 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 0.00 157 L 7.82 4.48 0.00 1.63 1.52 0.99 0.83 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 0.00 158 P 0.00 4.25 0.00 2.05 1.96 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 159 S 8.91 4.56 0.00 3.95 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 0.00 160 S 7.83 4.17 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.01 3.84 0.00 1.39 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 2.27 2.15 0.00 163 G 8.70 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 0.00 164 L 7.75 5.12 0.00 1.79 1.90 0.95 0.97 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 0.00 165 A 8.38 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.26 3.99 0.00 3.56 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 0.00 167 F 7.90 4.77 0.00 3.30 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 0.00 168 T 7.43 4.62 4.27 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 1.20 0.00 0.00 169 F 8.48 4.59 0.00 2.97 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 0.00 170 P 0.00 4.22 0.00 2.15 2.17 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 171 S 7.97 4.48 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.67 4.42 1.85 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.25 0.75 0.00 0.00 173 D 8.84 4.39 0.00 2.68 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 0.00 174 N 7.82 4.74 0.00 2.69 2.66 0.00 0.00 6.93 7.71 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 0.00 175 P 0.00 4.16 0.00 2.36 2.17 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 176 T 7.95 3.85 4.41 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 1.22 0.00 0.00 177 K 8.50 3.96 0.00 2.06 1.89 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 178 F 8.82 3.93 0.00 3.12 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 0.00 179 K 8.57 3.97 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 180 Q 7.83 3.99 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 181 L 7.59 3.88 0.00 1.64 1.41 0.90 0.51 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 0.00 182 Y 7.54 3.80 0.00 2.68 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 0.00 183 R 8.29 4.13 0.00 1.99 2.01 0.00 3.50 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 184 A 7.81 4.19 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 0.00 185 R 7.80 3.91 0.00 1.77 1.86 0.00 3.25 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 *187 N 8.04 4.73 0.00 2.84 2.88 0.00 0.00 7.09 7.54 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 0.00 188 T 7.75 4.25 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 1.16 0.00 0.00 189 L 7.80 3.91 0.00 1.58 1.61 0.85 0.83 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 0.00 190 E 8.55 4.45 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 191 L 7.89 4.47 0.00 1.75 1.58 0.93 0.73 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 0.00 192 T 8.15 4.16 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 1.22 0.00 0.00 193 P 0.00 4.25 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 194 E 8.08 3.92 0.00 2.00 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 2.40 2.32 0.00 195 V 7.76 3.61 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 0.96 0.00 0.00 0.95 0.00 0.00 196 K 8.23 3.90 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 197 H 8.28 4.16 0.00 3.24 3.51 0.00 5.64 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 0.00 198 R 8.11 3.85 0.00 2.04 1.96 0.00 3.34 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 199 V 7.81 3.58 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 1.05 0.00 0.00 0.97 0.00 0.00 200 T 7.88 3.89 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 1.23 0.00 0.00 201 E 8.37 3.87 0.00 2.09 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 2.25 2.32 0.00 202 E 8.17 4.04 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 2.38 2.35 0.00 203 A 7.88 4.17 1.60 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 0.00 204 K 7.89 4.05 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.64 7.81 205 T 7.75 3.84 4.43 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 1.18 0.00 0.00 206 A 8.00 3.75 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 0.00 0.00 0.00 0.00 0.00 207 F 8.43 3.87 0.00 3.29 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 0.00 208 L 8.43 4.14 0.00 1.80 1.69 0.92 0.50 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 0.00 209 L 7.78 3.76 0.00 0.92 0.60 0.57 0.40 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 0.00 210 N 7.57 3.98 0.00 2.74 2.47 0.00 0.00 6.95 6.76 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 0.00 211 I 8.00 3.76 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 0.98 0.00 0.00 212 E 8.37 3.90 0.00 2.00 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 2.29 2.30 0.00 213 L 7.56 3.91 0.00 1.76 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 214 F 7.79 4.50 0.00 3.34 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.57 4.11 0.00 2.16 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 2.43 2.68 0.00 216 E 8.22 3.92 0.00 2.11 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 0.00 2.29 2.33 0.00 217 L 7.82 3.94 0.00 1.49 1.48 0.77 0.82 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 0.00 218 Q 8.29 4.09 0.00 2.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 219 A 7.80 4.03 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 0.00 220 L 8.00 4.10 0.00 1.79 1.75 0.92 0.88 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 0.00 221 L 8.24 4.41 0.00 1.77 1.78 1.05 0.88 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 0.00 222 T 7.76 4.02 4.27 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 1.35 0.00 0.00 223 E 8.31 4.66 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.