NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4861 8.0333 111.0857 61.6411 71.0026 172.2098 3 K 4.9042 8.3591 120.4191 54.3371 36.7245 173.7811 4 A 5.4199 9.0146 125.0860 50.3978 23.3900 174.9123 5 V 5.0332 8.7388 117.4694 60.7986 35.4852 173.3437 6 C 4.9088 8.9563 121.7654 57.9745 35.1439 172.7642 7 V 4.3793 8.4192 125.6765 61.2963 33.0304 174.1752 8 L 4.8180 8.7205 129.7174 54.0446 43.1121 176.3790 9 K 4.8872 8.9144 122.8542 54.5786 35.1493 175.6123 10 G 4.9013 8.1504 109.2726 43.1430 0.0000 173.2829 11 D 4.7654 9.0168 119.1888 56.4450 41.6232 177.8538 12 G 4.2022 7.0683 110.7327 44.4887 0.0000 172.3993 13 P 4.3440 0.0000 0.0000 64.4997 31.8804 176.8503 14 V 4.1142 7.6617 120.9224 63.1728 32.3972 174.6829 15 Q 4.9832 8.9569 125.2367 55.3308 32.5797 173.7348 16 G 4.3021 8.6616 106.7670 46.1780 0.0000 172.0085 17 I 5.1473 8.6457 120.0496 59.6360 41.4300 174.9194 18 I 4.6373 8.4984 127.2166 59.4389 40.5417 174.4804 19 N 4.8691 8.9653 122.9601 51.3317 41.7514 173.7285 20 F 5.3742 8.6499 118.6414 56.0139 43.4991 173.5547 21 E 5.1409 9.4693 123.2744 54.9403 33.3848 173.7433 22 Q 4.5850 8.3967 124.0856 54.2355 32.8857 172.6295 *28 P 4.3429 0.0000 0.0000 62.4881 31.1330 176.4578 29 V 4.1762 8.2836 121.7460 62.4167 33.7079 175.1920 30 K 4.8228 9.6238 130.2283 55.3435 33.4805 174.9202 31 V 4.7841 8.4926 128.8149 61.1161 32.9052 174.6003 32 W 5.8091 7.4107 123.2154 56.3068 32.0999 174.8818 33 G 3.9300 7.6408 106.4550 44.6760 0.0000 171.6495 34 S 5.3000 7.9634 114.8791 56.8618 67.5099 173.7202 35 I 5.0923 8.3738 121.4128 59.6708 41.3187 174.5800 36 K 4.8566 9.6431 125.9997 55.8489 35.8892 176.9984 37 G 4.0216 9.1034 109.4064 45.4084 0.0000 173.6917 38 L 4.3479 8.0774 120.3462 53.5824 42.7850 175.9826 39 T 4.4513 8.2542 111.0144 60.5129 69.7773 174.1772 40 E 3.9829 8.7292 125.1114 56.4597 30.3909 176.6604 41 G 3.6558 8.4118 113.6170 44.6279 0.0000 171.2379 42 L 5.0111 8.0415 121.1134 53.9247 43.3552 176.1669 43 H 4.9152 9.0422 119.9928 53.4539 32.5329 173.2547 44 G 4.0507 9.3409 110.8893 47.1454 0.0000 172.3983 45 F 5.3130 9.0605 126.6883 57.3320 42.1669 172.6441 46 H 4.9183 8.5302 121.0191 54.0865 32.6972 172.5935 47 V 4.2487 7.9730 119.1466 63.0195 32.3172 175.0893 48 H 5.1147 9.4747 125.6036 54.1696 31.3495 175.8278 49 E 3.6562 8.7584 119.3213 59.0947 29.3203 177.9503 50 F 5.0074 7.7942 116.5886 55.1057 41.7363 175.9088 51 G 4.3464 8.4917 108.0570 44.4814 0.0000 173.1508 52 D 4.8017 8.1363 119.3718 52.8040 42.2373 175.5461 53 N 5.3871 8.7111 124.5632 52.2318 39.7618 175.4027 54 T 4.1593 8.8845 109.3086 63.0170 69.9506 174.2141 55 A 4.7357 7.6922 126.2519 51.8545 19.9903 176.2890 56 G 3.6514 7.8048 113.9225 48.2773 0.0000 176.2500 57 C 4.6627 8.5777 120.8984 57.4728 35.6969 175.5609 58 T 3.9288 8.2019 118.9875 66.8120 68.0878 176.8423 59 S 4.3667 8.0365 111.0761 59.4115 62.9708 174.7779 60 A 4.1991 7.7579 124.8759 53.4239 18.5743 178.9552 61 G 3.6485 7.8693 103.9250 43.9671 0.0000 170.5456 62 P 4.6765 0.0000 0.0000 62.2250 33.5725 175.2107 63 H 4.2630 8.4360 116.4196 55.6814 29.6313 175.7386 64 F 4.3132 9.2693 125.1696 58.7135 39.9903 173.6458 65 N 4.8978 8.3915 125.4947 50.6829 39.1838 171.8465 66 P 4.2746 0.0000 0.0000 64.2644 32.2627 178.0901 67 L 4.1130 7.7877 118.0393 56.7410 42.1638 177.7617 *82 G 4.4879 7.7177 102.8849 45.6277 0.0000 171.3723 83 D 5.1699 8.1120 119.5717 52.5492 42.9421 175.5580 84 L 4.6129 8.4669 125.2098 53.4070 42.8471 179.1301 85 R 4.1124 8.2838 119.4623 57.4732 27.0535 182.4422 86 N 5.7180 8.7961 114.0148 52.9802 42.2876 172.5486 87 V 4.4470 8.4047 112.5204 59.9436 35.5412 174.9198 88 T 5.0757 8.3973 119.1102 61.9076 70.4431 173.5856 89 A 4.8534 9.2315 128.9772 50.3702 21.6054 176.7965 90 D 4.7498 8.7111 122.9769 52.9027 42.3414 177.2128 91 K 3.9432 8.5220 120.4901 59.0817 32.0595 176.7076 92 D 4.5912 8.1052 116.6270 53.1965 39.6947 177.0818 93 G 4.3354 8.5101 108.0750 45.1275 0.0000 173.1371 94 V 4.8058 8.0159 119.4043 60.8405 34.5918 174.5922 95 A 4.9741 9.0494 128.1233 50.1134 21.4402 174.5671 96 D 4.8306 8.7019 122.4829 54.1970 42.3906 175.6985 97 V 4.4608 8.5353 125.9103 61.4109 34.8312 174.9602 98 S 5.0974 8.4014 119.4299 58.1540 63.9217 173.5991 99 I 4.5568 9.3438 128.6860 60.0451 41.0520 174.8864 100 E 5.3369 8.5168 121.8768 54.9629 30.8127 172.8441 101 D 4.7866 8.8228 122.8174 52.9227 42.7566 177.0601 102 S 4.2226 8.8647 122.0940 61.2100 63.1396 175.3223 103 V 3.5626 7.6379 118.4023 65.8887 31.4600 175.8367 104 I 3.8890 7.4797 113.4469 61.6405 38.1424 174.8600 105 S 4.6702 8.2921 113.8671 57.4529 65.2440 174.1892 106 L 4.5679 8.4295 122.0013 54.6992 42.1925 176.1343 107 S 4.5379 8.1149 114.3301 57.2879 67.5999 174.2401 108 G 3.8633 8.5655 108.1767 46.2522 0.0000 173.5761 109 D 4.5666 8.8186 117.7011 56.9435 41.0250 176.3748 110 H 5.2520 7.6573 116.5430 55.2984 29.7310 173.5174 111 C 4.4061 8.3863 119.8248 59.4875 32.2289 172.8523 112 I 3.7726 8.1826 119.5995 60.9535 38.1779 175.8375 113 I 3.6162 7.3050 122.8682 63.1042 37.2260 176.0291 114 G 3.8377 9.4123 113.6126 45.0641 0.0000 172.3102 115 R 4.9638 7.4848 117.8860 54.4359 34.3451 174.2178 116 T 5.0089 7.7743 115.5247 62.0022 71.2907 173.7474 117 L 4.6458 8.4594 127.8464 53.8017 44.1563 175.3482 118 V 4.9560 8.5381 125.2200 60.9544 35.3571 174.1731 119 V 4.9931 8.5430 126.4725 60.4621 33.6357 175.0347 120 H 5.2491 9.8943 123.4111 54.5571 30.2055 174.9117 121 E 4.3083 9.3029 121.1111 58.1735 30.2220 176.2286 122 K 4.7508 7.9614 117.1218 53.8558 36.4121 175.7615 123 A 4.2597 8.3305 122.9387 52.2619 19.4968 177.2901 124 D 4.6174 8.8075 115.8279 51.8286 41.6372 174.4935 125 D 4.3654 8.7905 124.1357 55.9912 39.5106 178.6109 *140 A 4.2155 8.0366 120.3614 50.9915 20.2243 177.3409 141 G 4.0319 8.1575 98.5323 44.8227 0.0000 172.6658 142 S 4.4994 8.2678 113.0352 57.8298 64.0701 172.9758 143 R 4.3032 8.4625 123.6879 56.0800 30.2342 176.0543 144 L 4.5336 9.0298 124.3180 56.3610 43.8555 176.4241 145 A 5.0811 7.4131 117.8460 51.3635 23.0253 173.8157 146 C 5.5367 8.1076 112.0541 56.2396 45.0268 172.8278 147 G 4.4749 7.8432 104.0686 46.1652 0.0000 172.5912 148 V 4.4287 8.3093 121.2951 62.2963 32.7060 175.6284 149 I 3.9968 9.2343 129.8020 61.0256 37.8175 175.3429 150 G 4.4444 8.7758 114.6588 43.8885 0.0000 172.0783 151 I 4.2986 8.2443 121.2337 61.0981 37.9815 176.2378 152 A 4.3410 9.2900 128.1490 52.1711 18.8378 175.7751 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 2 T 8.03 4.49 4.26 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 1.22 0.00 0.00 3 K 8.36 4.90 0.00 1.82 1.76 0.00 1.92 0.00 0.00 2.43 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.63 7.81 4 A 9.01 5.42 1.17 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 0.00 0.00 5 V 8.74 5.03 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 0.61 0.00 0.00 0.93 0.00 0.00 6 C 8.96 4.91 0.00 3.09 2.92 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 7 V 8.42 4.38 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.72 4.82 0.00 1.70 1.59 0.96 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 9 K 8.91 4.89 0.00 1.69 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 G 8.15 4.90 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 0.00 11 D 9.02 4.77 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 14 V 7.66 4.11 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 0.96 0.00 0.00 0.92 0.00 0.00 15 Q 8.96 4.98 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.35 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 16 G 8.66 4.30 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 0.00 17 I 8.65 5.15 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.81 0.00 0.00 18 I 8.50 4.64 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.12 0.33 0.00 0.00 19 N 8.97 4.87 0.00 1.44 1.42 0.00 0.00 6.57 8.01 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 20 F 8.65 5.37 0.00 2.94 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 21 E 9.47 5.14 0.00 2.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 22 Q 8.40 4.59 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 *28 P 0.00 4.34 0.00 2.04 2.09 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 29 V 8.28 4.18 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 1.22 0.00 0.00 1.06 0.00 0.00 30 K 9.62 4.82 0.00 1.91 1.85 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.39 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.57 1.57 7.81 31 V 8.49 4.78 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 0.49 0.00 0.00 1.11 0.00 0.00 32 W 7.41 5.81 0.00 3.55 3.21 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 33 G 7.64 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.96 5.30 0.00 3.74 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 35 I 8.37 5.09 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.94 0.00 0.00 36 K 9.64 4.86 0.00 1.68 1.85 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 37 G 9.10 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 0.00 0.00 0.00 38 L 8.08 4.35 0.00 1.77 1.42 0.79 0.46 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 39 T 8.25 4.45 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 1.24 0.00 0.00 40 E 8.73 3.98 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 41 G 8.41 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.04 5.01 0.00 1.49 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.04 4.92 0.00 3.05 3.32 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 44 G 9.34 4.05 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 0.00 0.00 0.00 45 F 9.06 5.31 0.00 3.19 3.04 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 46 H 8.53 4.92 0.00 3.17 3.33 0.00 5.50 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.97 4.25 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 0.78 0.00 0.00 0.90 0.00 0.00 48 H 9.47 5.11 0.00 3.08 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.76 3.66 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 50 F 7.79 5.01 0.00 3.09 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 51 G 8.49 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 0.00 0.00 0.00 0.00 52 D 8.14 4.80 0.00 2.67 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 53 N 8.71 5.39 0.00 2.69 2.74 0.00 0.00 7.31 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 54 T 8.88 4.16 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 1.25 0.00 0.00 55 A 7.69 4.74 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 56 G 7.80 3.65 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 0.00 57 C 8.58 4.66 0.00 2.96 3.04 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 58 T 8.20 3.93 4.36 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 0.00 0.00 0.00 1.23 0.00 0.00 59 S 8.04 4.37 0.00 4.10 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 60 A 7.76 4.20 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.87 3.65 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 0.00 62 P 0.00 4.68 0.00 2.07 2.22 0.00 3.50 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 63 H 8.44 4.26 0.00 2.91 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.27 4.31 0.00 3.01 2.96 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 65 N 8.39 4.90 0.00 2.51 2.56 0.00 0.00 7.27 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 66 P 0.00 4.27 0.00 2.12 1.84 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 67 L 7.79 4.11 0.00 1.56 1.70 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *82 G 7.72 4.49 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 0.00 0.00 0.00 83 D 8.11 5.17 0.00 2.50 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 84 L 8.47 4.61 0.00 1.94 2.00 0.95 1.03 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 85 R 8.28 4.11 0.00 1.92 1.27 0.00 3.18 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 86 N 8.80 5.72 0.00 2.55 2.74 0.00 0.00 6.55 7.68 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 87 V 8.40 4.45 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 -0.13 0.00 0.00 0.83 0.00 0.00 88 T 8.40 5.08 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 89 A 9.23 4.85 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 D 8.71 4.75 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 3.94 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.63 7.81 92 D 8.11 4.59 0.00 2.80 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 93 G 8.51 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.02 4.81 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 0.96 0.00 0.00 0.97 0.00 0.00 95 A 9.05 4.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.70 4.83 0.00 2.69 2.56 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 97 V 8.54 4.46 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 0.75 0.00 0.00 0.66 0.00 0.00 98 S 8.40 5.10 0.00 3.88 3.87 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 99 I 9.34 4.56 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.01 0.00 0.00 100 E 8.52 5.34 0.00 1.82 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 2.23 2.25 0.00 101 D 8.82 4.79 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.86 4.22 0.00 3.93 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 0.00 103 V 7.64 3.56 2.31 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 0.78 0.00 0.00 0.94 0.00 0.00 104 I 7.48 3.89 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 1.05 0.00 0.00 105 S 8.29 4.67 0.00 3.89 3.88 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 0.00 106 L 8.43 4.57 0.00 1.83 1.64 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.11 4.54 0.00 3.80 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 0.00 108 G 8.57 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.82 4.57 0.00 2.58 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.66 5.25 0.00 3.07 3.31 0.00 5.68 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.39 4.41 0.00 3.11 2.79 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 0.00 0.00 0.00 0.00 112 I 8.18 3.77 1.56 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.18 0.87 0.00 0.00 113 I 7.30 3.62 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.84 0.00 0.00 114 G 9.41 3.84 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 0.00 0.00 0.00 115 R 7.48 4.96 0.00 1.57 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 116 T 7.77 5.01 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 1.23 0.00 0.00 117 L 8.46 4.65 0.00 1.80 1.51 0.36 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.54 4.96 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 0.77 0.00 0.00 0.77 0.00 0.00 119 V 8.54 4.99 2.29 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 0.94 0.00 0.00 1.01 0.00 0.00 120 H 9.89 5.25 0.00 3.04 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.30 4.31 0.00 1.97 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 2.35 2.38 0.00 122 K 7.96 4.75 0.00 1.79 1.69 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 123 A 8.33 4.26 1.24 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 0.00 0.00 124 D 8.81 4.62 0.00 2.66 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 0.00 125 D 8.79 4.37 0.00 2.81 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 *140 A 8.04 4.22 1.32 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 0.00 0.00 141 G 8.16 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.27 4.50 0.00 3.96 3.77 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 0.00 0.00 0.00 143 R 8.46 4.30 0.00 1.70 1.77 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 144 L 9.03 4.53 0.00 1.68 1.68 1.02 0.83 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 0.00 145 A 7.41 5.08 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 0.00 146 C 8.11 5.54 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.84 4.47 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 0.00 0.00 0.00 148 V 8.31 4.43 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 0.77 0.00 0.00 1.01 0.00 0.00 149 I 9.23 4.00 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.49 0.00 0.00 150 G 8.78 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 0.00 0.00 0.00 0.00 151 I 8.24 4.30 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 9.29 4.34 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 * Residues marked with a * may have inaccurate shift predictions.