NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 V 4.0464 8.0544 114.0546 61.4216 33.8291 175.7016 14 T 3.9019 7.7713 114.4056 60.2944 67.5382 172.2006 15 L 4.1523 9.0189 130.7009 58.3888 44.4012 178.5746 16 R 4.3833 7.9032 116.7524 55.9537 29.3672 178.7262 17 D 4.1653 8.6190 112.3254 57.2504 41.3163 176.5916 18 L 4.0429 10.4718 121.4712 57.4284 41.7063 179.0197 19 F 4.1250 7.7491 116.8627 61.1078 38.5455 177.6238 20 D 4.4439 8.2961 117.5503 57.5492 40.6773 178.8502 21 R 3.9054 7.7532 118.7744 59.6144 30.0014 177.8173 22 A 3.9515 8.6093 121.1003 54.8104 18.3181 179.3076 23 V 4.0544 7.9326 116.1083 65.5543 31.6976 178.7778 24 V 3.6140 7.6650 117.1416 66.0215 31.2329 178.0939 25 L 4.1136 7.9998 118.8645 57.7582 41.5423 179.3209 26 S 4.0564 8.6808 114.6831 61.9091 62.6891 175.6758 27 H 4.0931 8.3865 122.8088 59.0980 29.3977 176.4082 28 Y 4.3493 7.9765 120.3758 60.4376 38.5860 177.8125 29 I 3.3817 7.9484 121.4435 64.4841 37.2527 177.7686 30 H 4.3017 8.4594 120.7055 58.5248 29.5301 177.1468 31 N 4.1356 7.7165 118.3286 56.2230 38.3502 177.2991 32 L 3.8851 7.3638 120.3835 57.8023 41.5329 179.8522 33 S 4.0029 7.9430 114.1643 61.4011 62.9228 176.1745 34 S 4.1530 7.7992 118.6444 62.0682 62.6136 176.7329 35 E 4.0707 8.2695 120.6701 59.4201 29.2261 179.2440 36 M 3.9877 8.3296 118.6253 58.6054 32.3635 177.9101 37 F 4.1237 8.5284 121.1630 61.7757 39.3056 176.3652 38 S 3.9028 8.6253 111.4094 61.8484 62.1691 175.4160 39 E 3.9957 8.7184 122.8285 59.0829 29.5226 178.3104 40 F 4.5628 8.3570 120.5810 60.7778 39.8696 175.7345 41 D 4.2656 7.5376 119.2309 55.0500 40.8399 176.3153 42 K 4.8821 7.9557 135.0000 56.7271 33.7077 177.7093 *49 G 3.5650 7.1829 107.1675 45.7947 0.0000 171.4621 50 F 4.3557 7.6765 124.3031 59.1825 40.0769 178.3148 51 I 4.0053 7.6628 121.3219 64.5521 36.4781 177.8759 52 T 4.0355 7.8014 112.9556 64.5368 67.3727 175.5670 53 K 4.3132 7.9967 118.3092 57.5583 32.7951 178.3687 54 A 4.3959 7.7575 121.2847 52.6668 18.2184 177.4566 55 I 3.8620 7.6068 118.0334 63.3887 37.4313 175.0182 56 N 4.2825 8.9740 120.6828 54.3265 36.1898 174.4551 57 S 4.6688 8.2203 110.9652 58.4387 63.4359 172.4664 58 C 5.1056 7.8683 119.0168 55.5987 41.8617 174.6149 59 H 4.0458 8.7937 119.2925 58.1827 28.6473 176.3329 60 T 4.2243 7.5612 109.2943 62.4232 69.3898 176.3429 61 S 4.1875 8.0682 119.3577 61.9592 63.1386 176.0417 62 S 4.2603 8.1628 113.5431 61.0768 62.8627 175.0161 63 L 4.0603 7.7160 119.2712 54.8551 42.2719 177.6037 64 A 4.4161 8.1787 125.5264 51.0335 17.3318 177.1541 65 T 4.3406 7.4006 111.5465 59.0200 70.8969 174.2329 66 P 4.4740 0.0000 0.0000 63.0174 31.8140 176.1999 67 E 4.6788 9.6502 120.9791 56.3461 30.3392 176.0089 68 D 4.9713 7.5345 118.3338 51.2246 46.3030 175.9364 69 K 3.9695 8.6299 122.0116 60.0526 32.0420 178.8819 70 E 4.2209 8.2014 116.3648 58.5012 29.2617 178.0442 71 Q 4.3770 7.8447 116.9648 57.1055 29.7268 177.4913 72 A 3.8894 8.3848 122.4981 55.3227 18.2257 179.7216 73 Q 4.0306 8.1793 115.7521 59.0045 28.9362 178.0966 74 Q 4.2877 7.5527 117.6211 56.2014 29.2516 174.9149 75 M 4.5325 7.1561 119.7607 53.9285 33.8295 175.6805 76 N 4.6726 8.6450 124.0970 52.4292 39.8269 175.5796 77 Q 3.9522 8.6496 122.1833 60.2106 29.1250 179.0861 78 K 4.0369 8.2568 118.9976 58.8425 32.1037 178.4293 79 D 4.3962 8.1993 118.0961 57.9562 41.2098 179.2650 80 F 4.0204 8.4946 120.8161 61.4988 39.3237 177.1722 81 L 4.1849 8.1496 118.3256 57.6045 41.4038 179.4594 82 S 4.1175 8.3364 115.3271 61.9748 62.8555 176.6384 83 L 3.8745 7.7384 120.7726 58.0135 41.3693 179.6535 84 I 3.8302 7.7678 118.9665 64.6400 36.9569 178.7041 85 V 3.5805 7.8509 118.7821 66.0420 31.3497 177.9027 86 S 4.4731 8.6044 115.2414 62.0258 62.5521 176.9359 87 I 3.8782 8.1289 120.9710 64.4368 37.1555 178.3046 88 L 4.2363 8.2030 119.8574 57.6893 41.5492 179.5077 89 R 3.6641 8.8039 119.0727 59.4719 29.7782 179.1324 90 S 4.1574 7.8917 113.3204 60.7497 63.1328 175.8679 91 W 4.3646 7.9308 119.6116 56.7378 29.7170 177.5750 92 N 4.4397 8.0429 117.1238 56.5439 37.9884 175.6998 93 E 4.0246 8.3861 120.6731 58.5028 29.5440 176.4581 94 P 2.9700 0.0000 0.0000 65.6608 31.1379 178.3874 95 L 3.9387 7.9806 118.5164 57.6831 41.4911 178.9463 96 Y 4.1340 8.3480 119.6838 61.1813 38.7322 177.8239 97 H 4.1205 8.2080 117.0446 58.1756 28.7005 177.4070 98 L 3.8271 8.2409 122.8920 58.2059 41.9683 179.2323 99 V 3.4914 7.7297 117.7918 66.9226 31.3219 177.6282 100 T 3.5222 7.5587 113.4872 67.0474 68.3014 175.2339 101 E 4.0796 8.8152 122.2017 59.6483 29.9912 178.8756 102 V 3.9232 7.6851 117.0818 64.6536 31.5817 176.1269 103 R 4.1925 7.3284 114.5987 54.7993 30.3304 175.8823 *111 A 4.5271 8.3607 125.0821 52.0978 19.2081 178.4153 112 I 3.8063 7.6319 116.3413 64.1674 36.6185 178.2444 113 L 4.1260 7.8674 121.2756 57.9641 41.9551 178.7289 114 S 4.1430 7.9576 113.8006 61.7005 62.8189 176.6041 115 K 3.9533 8.2373 121.9155 58.5868 31.7349 179.1735 116 A 3.9309 7.4195 119.9175 55.4252 18.1379 180.0134 117 V 3.5461 7.4217 110.1426 64.6053 31.4274 178.4423 118 E 3.9419 7.8976 119.1104 59.3178 29.4158 179.0463 119 I 3.6134 7.7410 119.8943 63.9380 37.2777 177.5669 120 E 3.8968 8.2117 120.4485 59.5914 29.2813 178.7302 121 E 3.9418 7.8001 117.9483 59.7575 29.5438 179.4006 122 Q 3.9907 7.8485 119.2743 59.4389 29.0499 178.2235 123 T 3.8261 8.0850 116.9952 66.2060 68.4029 176.4797 124 K 3.8721 7.9400 121.3400 59.8022 32.2758 179.1517 125 R 4.2495 8.2662 119.8168 58.4812 29.8395 178.8763 126 L 3.9692 8.1843 120.7927 57.8163 42.0888 178.6275 127 L 3.9507 8.3099 120.8087 58.1504 41.8440 178.2605 128 E 3.9258 8.2927 118.4567 60.0615 29.4951 179.6399 129 R 3.8622 8.2584 117.5326 59.4370 29.9970 178.9877 130 M 3.9099 8.3051 118.4150 58.7281 32.0593 178.2173 131 E 3.9531 8.5139 117.7762 59.2237 29.7421 178.6641 132 L 4.0157 7.9600 119.0252 58.3265 41.4123 179.4371 133 I 3.5770 7.7179 118.9605 64.8753 37.1237 178.9236 134 V 3.6317 7.5680 113.1396 64.1740 31.0963 178.7347 135 S 4.1033 7.6072 113.3155 61.7728 62.9112 176.5566 136 Q 4.1097 7.5079 120.1268 57.7913 28.3771 176.9728 137 V 4.1864 7.3689 116.5435 63.4105 34.1372 176.0510 *146 I 3.9338 7.2023 122.8566 60.7491 37.9376 173.8802 147 Y 4.9965 7.2118 120.9785 53.6876 41.2921 174.0094 148 P 4.4482 0.0000 0.0000 62.7899 32.3349 176.3008 149 V 4.2725 8.0689 114.0117 59.8876 33.1988 175.0551 150 W 4.6727 8.5819 131.9899 55.7862 31.8578 175.6360 151 S 4.1650 7.7766 120.3955 57.5074 61.8760 174.5210 152 G 3.4775 5.3800 105.3102 45.5642 0.0000 175.7290 153 L 3.7126 6.2770 123.0536 57.2669 42.1857 176.7596 154 P 4.1552 0.0000 0.0000 66.1290 31.1161 178.4247 155 S 4.1847 7.1360 109.6662 61.6937 62.7185 176.7196 156 L 4.4442 8.0197 121.5275 56.4326 42.7430 177.7680 157 Q 4.4330 7.6293 117.7615 54.6368 27.2750 173.5262 158 M 4.6894 7.8979 123.5374 53.7934 34.8189 175.3031 159 A 3.9478 8.5350 126.7626 55.8532 19.1375 177.4245 160 D 4.4593 7.8726 112.5990 53.7471 42.5721 176.6738 161 E 3.9645 9.0467 127.6391 59.7706 29.5141 178.0093 162 E 4.0305 8.5553 118.7152 59.5170 29.6397 178.6291 163 S 4.2147 9.1473 115.1512 61.7689 63.0062 176.4075 164 R 4.0343 8.1236 121.0700 60.1118 29.6604 178.3503 165 L 4.0979 8.1385 118.2434 57.7459 41.5467 179.5387 166 S 4.2160 8.3669 112.9096 61.5511 62.4016 176.2157 167 A 4.1286 8.5347 123.7098 55.2302 18.0107 179.3331 168 Y 3.6859 8.5400 115.4583 61.3733 38.0076 177.6445 169 Y 4.3412 8.6419 120.8537 61.1583 38.7296 178.2581 170 N 4.5036 8.7300 117.1906 56.3633 38.7270 176.6339 171 L 4.0444 8.0304 121.6049 58.8595 41.9854 179.1777 172 L 3.9852 8.2454 118.5325 58.0410 41.5751 179.1772 173 H 3.6972 8.2681 118.3021 59.1624 29.6760 176.7556 174 C 4.4078 8.5998 118.6966 59.5369 38.2713 175.8992 175 L 2.7325 7.9692 122.1430 57.6304 41.6533 178.5105 176 R 3.8356 7.7506 120.3721 58.7171 29.8073 177.9485 177 R 3.6684 7.5850 117.8835 59.8448 30.0270 178.2664 178 D 4.2720 8.2564 118.9543 56.9365 40.6188 178.9017 179 S 3.8630 8.4193 115.6940 61.6290 62.8285 176.0131 180 H 3.5677 7.8355 122.1527 58.6030 29.4665 177.1066 181 K 3.5800 7.9478 121.3153 59.2128 31.8962 178.9029 182 I 3.6530 7.7570 120.1590 64.3794 37.0935 177.4638 183 D 4.3436 7.8445 118.8993 57.8291 40.9781 178.4041 184 N 4.2549 8.1059 117.1045 56.9226 38.9554 176.4969 185 Y 4.4444 8.1000 118.4725 60.9878 37.9359 178.0925 186 L 4.0691 8.9133 120.4944 57.7784 41.6333 179.5689 187 K 4.0217 8.2381 118.2901 59.8164 32.0589 178.3960 188 L 3.9562 8.0768 120.4107 58.0544 42.0245 178.7254 189 L 3.7044 7.9044 118.5659 57.8617 41.7495 179.0467 190 K 2.6867 7.5631 118.6885 60.0189 31.8321 177.9237 191 C 3.9601 7.8090 116.1449 63.1792 27.9597 176.5244 192 R 3.5549 7.6730 119.3453 58.1255 29.6624 176.9899 193 I 4.2533 7.2121 109.9984 62.3543 39.3178 177.3200 194 I 4.0480 7.0473 111.8144 61.2000 38.1843 175.5957 195 H 4.7748 7.4343 115.8516 54.4867 30.6447 172.6688 196 N 4.3291 9.1268 116.2750 54.7221 37.7582 173.3256 197 N 4.1791 8.9866 109.8352 53.6493 36.1472 174.6790 198 N 4.5130 7.9774 117.6851 53.6769 39.8984 175.1391 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 13 V 8.05 4.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 14 T 7.77 3.90 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 1.23 0.00 0.00 15 L 9.02 4.15 0.00 1.80 1.75 0.97 0.95 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 16 R 7.90 4.38 0.00 1.95 0.93 0.00 3.10 0.00 0.00 3.16 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 17 D 8.62 4.17 0.00 2.99 3.01 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 0.00 0.00 0.00 18 L 10.47 4.04 0.00 1.86 1.52 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.75 4.12 0.00 3.26 3.06 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 20 D 8.30 4.44 0.00 2.79 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 21 R 7.75 3.91 0.00 2.09 1.95 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 22 A 8.61 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.93 4.05 2.14 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 1.14 0.00 0.00 1.02 0.00 0.00 24 V 7.67 3.61 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 0.95 0.00 0.00 1.01 0.00 0.00 25 L 8.00 4.11 0.00 1.96 1.73 0.95 0.67 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 26 S 8.68 4.06 0.00 4.06 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 27 H 8.39 4.09 0.00 3.31 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.98 4.35 0.00 3.11 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 29 I 7.95 3.38 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.71 0.00 0.00 30 H 8.46 4.30 0.00 3.07 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.72 4.14 0.00 2.98 2.83 0.00 0.00 6.93 6.58 0.00 0.00 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 L 7.36 3.89 0.00 1.53 1.53 0.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.94 4.00 0.00 3.88 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 34 S 7.80 4.15 0.00 4.02 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 35 E 8.27 4.07 0.00 2.02 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 2.33 2.46 0.00 36 M 8.33 3.99 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 37 F 8.53 4.12 0.00 3.10 3.28 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 38 S 8.63 3.90 0.00 3.96 4.01 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 0.00 0.00 0.00 39 E 8.72 4.00 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 40 F 8.36 4.56 0.00 3.00 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 41 D 7.54 4.27 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.96 4.88 0.00 1.99 1.82 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.10 7.81 *49 G 7.18 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 50 F 7.68 4.36 0.00 1.94 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 4.01 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.37 1.09 0.00 0.00 52 T 7.80 4.04 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 1.22 0.00 0.00 53 K 8.00 4.31 0.00 1.90 1.94 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 54 A 7.76 4.40 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 55 I 7.61 3.86 1.92 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 1.73 0.89 0.95 0.00 0.00 56 N 8.97 4.28 0.00 2.88 2.91 0.00 0.00 7.11 7.57 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 57 S 8.22 4.67 0.00 4.12 4.17 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 0.00 0.00 0.00 0.00 58 C 7.87 5.11 0.00 3.05 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 59 H 8.79 4.05 0.00 3.42 3.58 0.00 5.71 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 60 T 7.56 4.22 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 1.25 0.00 0.00 61 S 8.07 4.19 0.00 3.90 4.04 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 62 S 8.16 4.26 0.00 3.99 4.02 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 63 L 7.72 4.06 0.00 1.94 1.71 0.97 0.67 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 64 A 8.18 4.42 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 65 T 7.40 4.34 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 1.32 0.00 0.00 66 P 0.00 4.47 0.00 1.98 1.95 0.00 3.27 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.57 0.00 67 E 9.65 4.68 0.00 1.91 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 2.30 2.36 0.00 68 D 7.53 4.97 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.63 3.97 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.58 7.81 70 E 8.20 4.22 0.00 1.97 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 2.33 2.48 0.00 71 Q 7.84 4.38 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 72 A 8.38 3.89 1.64 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 0.00 0.00 73 Q 8.18 4.03 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 74 Q 7.55 4.29 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 75 M 7.16 4.53 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 76 N 8.64 4.67 0.00 2.99 2.96 0.00 0.00 5.82 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.65 3.95 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 78 K 8.26 4.04 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.62 7.81 79 D 8.20 4.40 0.00 2.99 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 80 F 8.49 4.02 0.00 3.28 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.15 4.18 0.00 2.12 1.74 0.98 0.85 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 82 S 8.34 4.12 0.00 3.92 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 83 L 7.74 3.87 0.00 1.90 1.78 0.95 1.06 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 84 I 7.77 3.83 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 0.99 0.00 0.00 85 V 7.85 3.58 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 1.02 0.00 0.00 0.98 0.00 0.00 86 S 8.60 4.47 0.00 4.05 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 87 I 8.13 3.88 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.60 1.10 0.00 0.00 88 L 8.20 4.24 0.00 1.82 1.70 0.94 0.76 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 89 R 8.80 3.66 0.00 1.45 0.66 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 90 S 7.89 4.16 0.00 4.13 3.94 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 0.00 0.00 0.00 91 W 7.93 4.36 0.00 3.48 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 92 N 8.04 4.44 0.00 2.74 2.84 0.00 0.00 6.51 8.12 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 93 E 8.39 4.02 0.00 2.18 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 0.00 2.72 2.84 0.00 94 P 0.00 2.97 0.00 1.32 0.49 0.00 3.57 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.00 95 L 7.98 3.94 0.00 1.90 1.78 0.94 0.54 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 96 Y 8.35 4.13 0.00 3.04 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 97 H 8.21 4.12 0.00 3.38 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.24 3.83 0.00 1.58 1.75 0.86 0.76 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 99 V 7.73 3.49 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 0.93 0.00 0.00 0.98 0.00 0.00 100 T 7.56 3.52 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 1.14 0.00 0.00 101 E 8.82 4.08 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 102 V 7.69 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0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 159 A 8.53 3.95 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 0.00 160 D 7.87 4.46 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 9.05 3.96 0.00 2.09 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 2.41 2.39 0.00 162 E 8.56 4.03 0.00 2.18 2.38 0.00 0.00 0.00 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 2.59 0.00 163 S 9.15 4.21 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.12 4.03 0.00 2.11 2.12 0.00 2.93 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 165 L 8.14 4.10 0.00 1.77 1.26 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.37 4.22 0.00 4.14 4.17 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 0.00 0.00 0.00 0.00 167 A 8.53 4.13 1.48 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 0.00 168 Y 8.54 3.69 0.00 3.14 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.64 4.34 0.00 3.27 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 0.00 170 N 8.73 4.50 0.00 3.10 3.01 0.00 0.00 6.65 6.29 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 0.00 171 L 8.03 4.04 0.00 1.95 1.73 0.69 0.59 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 0.00 172 L 8.25 3.99 0.00 1.82 1.81 0.38 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 173 H 8.27 3.70 0.00 2.93 3.52 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 0.00 174 C 8.60 4.41 0.00 3.54 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 0.00 175 L 7.97 2.73 0.00 1.18 1.57 0.12 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 176 R 7.75 3.84 0.00 1.67 1.71 0.00 3.07 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 177 R 7.58 3.67 0.00 1.73 1.95 0.00 3.12 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 178 D 8.26 4.27 0.00 2.40 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 0.00 179 S 8.42 3.86 0.00 3.94 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 0.00 180 H 7.84 3.57 0.00 2.89 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.95 3.58 0.00 1.64 1.68 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.31 0.67 7.81 182 I 7.76 3.65 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.93 0.00 0.00 183 D 7.84 4.34 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 0.00 184 N 8.11 4.25 0.00 2.76 2.76 0.00 0.00 7.34 7.10 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 0.00 185 Y 8.10 4.44 0.00 3.20 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 0.00 186 L 8.91 4.07 0.00 1.88 1.81 0.95 1.00 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 0.00 187 K 8.24 4.02 0.00 2.02 1.87 0.00 1.93 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 188 L 8.08 3.96 0.00 1.84 1.84 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.90 3.70 0.00 1.69 1.61 0.76 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 190 K 7.56 2.69 0.00 1.58 1.82 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.31 7.81 191 C 7.81 3.96 0.00 3.07 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 0.00 192 R 7.67 3.55 0.00 1.72 1.99 0.00 3.20 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 193 I 7.21 4.25 1.83 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.88 0.00 0.00 194 I 7.05 4.05 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.11 0.80 0.00 0.00 195 H 7.43 4.77 0.00 3.31 3.21 0.00 5.96 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 N 9.13 4.33 0.00 2.73 2.79 0.00 0.00 7.13 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 N 8.99 4.18 0.00 2.79 2.84 0.00 0.00 6.61 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 7.98 4.51 0.00 2.76 2.62 0.00 0.00 6.68 7.44 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 * Residues marked with a * may have inaccurate shift predictions.