NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3195 8.1749 117.3745 63.1672 69.9086 173.5404 3 T 3.7552 8.4374 122.8989 62.4129 68.9284 171.9024 4 P 4.3274 0.0000 0.0000 63.2718 32.9634 175.8847 5 R 4.4849 9.1406 123.5863 54.9018 30.6055 174.5318 6 R 5.8264 8.6964 123.4296 54.0743 32.2176 175.5166 7 A 5.0224 8.5862 123.0044 50.1238 22.6328 174.6535 8 L 4.7424 9.0704 124.6814 53.8474 43.8845 174.9147 9 I 4.7000 8.6922 127.5047 59.2511 40.5925 174.3196 10 V 4.5188 8.5897 130.0339 60.5919 32.8266 173.8230 11 I 4.2383 8.5519 130.0700 59.8336 38.4616 176.2592 12 D 4.7019 8.2128 129.3179 55.4858 39.0863 176.2810 13 V 4.2363 7.3330 118.7600 61.5089 30.7264 173.9646 14 Q 5.2541 8.1459 122.0307 53.1869 32.4215 176.6426 15 N 4.4504 8.9585 117.9506 56.1911 39.0934 177.2738 16 E 3.6234 8.1360 119.4419 59.3019 29.7329 178.2122 17 Y 4.9505 7.7561 114.3095 58.9340 37.8801 175.7602 18 V 4.1396 7.5760 117.1242 63.5188 33.8866 176.1418 19 T 4.3809 7.7588 109.4982 61.6414 70.4566 175.6651 20 G 3.9975 7.5649 113.8276 45.7471 0.0000 174.2030 21 D 4.7812 8.7724 126.8709 54.0944 41.7864 176.8934 22 L 4.9194 7.5506 120.9500 52.8103 41.3878 173.2628 23 P 4.9690 0.0000 0.0000 62.0236 32.6726 177.8983 24 I 3.8436 8.3535 126.0856 61.9496 36.9172 175.7512 25 E 4.6622 9.0050 124.8474 56.7122 32.2488 175.8310 26 Y 4.4552 7.6111 119.7371 55.4503 42.3041 172.4666 27 P 3.3716 0.0000 0.0000 61.6063 32.7238 175.3826 28 D 4.2706 8.3221 119.5915 55.0616 41.4898 177.8970 29 V 3.7268 8.2253 127.1969 64.3784 31.5866 178.6498 30 Q 3.9684 8.1178 118.5844 58.6370 28.4837 178.6158 31 S 4.1348 8.1012 115.5346 61.3562 62.8665 176.7598 32 S 4.7328 8.0293 119.3258 60.5274 62.8720 176.3610 33 L 4.0208 8.2672 122.6504 57.6242 41.3994 179.3660 34 A 4.0209 7.9541 120.5341 55.2642 18.2120 179.4667 35 N 4.3448 7.9335 114.7418 56.0531 38.3557 177.6815 36 I 3.5098 7.7559 120.8288 64.3543 37.3056 177.8819 37 A 4.1297 7.7132 119.8675 55.2482 18.4792 179.5360 38 R 4.0870 8.0913 116.3037 59.2063 30.0721 180.0038 39 A 4.3837 8.1420 118.1848 52.8833 18.2750 178.8907 *41 D 4.5098 8.1286 122.3763 55.9434 43.2825 178.1001 42 A 4.0076 8.6405 120.9479 55.0140 18.3416 179.4438 43 A 4.0612 8.6304 119.7738 55.5069 18.3931 179.8346 44 R 3.8831 8.0910 116.4465 59.6139 29.9947 178.4482 45 A 4.0036 7.9329 119.1651 54.3063 18.4716 178.4462 46 A 4.4480 7.7587 116.6970 51.3949 19.4332 177.7241 47 G 3.7828 7.6379 105.3376 45.8871 0.0000 173.6856 48 V 4.0227 7.7754 120.2076 61.2388 32.0249 174.3683 49 P 4.7884 0.0000 0.0000 62.9642 32.8282 175.2317 50 V 4.7841 9.1913 123.6409 61.1635 33.9898 174.2581 51 V 4.5453 8.8764 128.4554 61.1600 33.8745 174.0974 52 I 4.6757 8.4614 129.1935 59.9127 39.3401 174.8019 53 V 4.4698 8.2482 126.1412 60.9215 34.3442 173.9273 54 Q 4.8081 8.3717 128.0785 54.1660 32.1472 173.0877 55 N 5.1508 8.8827 125.3976 51.9967 40.2047 173.8888 56 F 5.4616 9.0426 124.4817 55.7601 42.3782 174.3542 57 A 4.9561 9.0351 123.1932 49.1359 22.6535 174.0800 58 P 4.6412 0.0000 0.0000 62.3226 32.6824 176.3194 59 A 4.2590 8.5325 124.5720 54.1306 18.6222 178.6062 60 G 4.0069 8.8486 109.1262 45.5773 0.0000 174.3490 61 S 4.3649 7.7212 116.0673 57.9144 63.3631 173.7264 62 P 4.4803 0.0000 0.0000 64.6751 30.2782 177.0086 63 L 4.6677 7.0544 114.3825 53.9364 45.4411 176.2930 64 F 3.8923 8.8193 119.2766 58.2646 37.3358 174.9539 65 A 4.6741 7.4295 124.0688 51.7555 18.5933 178.2788 66 R 4.0412 8.4793 122.1982 58.3223 30.4608 177.3254 67 G 3.9683 9.1484 111.0144 45.1541 0.0000 173.2754 68 S 4.6862 7.5758 113.8207 56.4775 65.0849 173.8575 69 N 4.3962 8.8326 120.4019 56.8306 39.0694 177.4000 70 G 3.4575 8.0600 106.3913 48.2230 0.0000 174.8122 71 A 4.2531 7.6314 121.1640 53.6323 19.0224 177.7432 72 E 4.2798 7.9037 116.3540 55.6747 30.1797 176.5959 73 L 4.4723 8.2930 122.0586 54.8194 42.5620 176.9212 74 H 4.5956 9.0250 122.5159 54.9237 30.7537 174.2699 75 P 4.5482 0.0000 0.0000 65.2804 30.8202 178.9579 76 V 3.6700 8.1082 115.4789 65.7271 31.5408 177.9462 77 V 3.7909 7.7638 117.8378 65.9297 31.8192 178.1341 78 S 4.1885 8.2896 113.7940 60.8082 62.5779 175.0800 79 E 4.4588 7.9320 120.1166 56.0666 29.3731 175.7838 80 R 4.6468 7.6808 117.7053 53.7843 33.0895 175.5152 81 A 4.3210 8.2570 122.6796 52.3902 19.1051 176.8305 82 R 4.7245 8.0099 114.4160 55.3645 32.2385 174.5241 83 D 4.9463 8.7030 117.8539 55.3765 42.4417 176.0739 84 H 4.7038 7.6143 116.5550 55.0037 33.3505 171.3427 85 Y 4.9800 7.7004 122.6967 55.7416 42.0444 174.5072 86 V 4.1785 7.6170 125.4429 60.8979 34.7834 173.8472 87 E 4.9524 8.5904 126.1096 55.1566 31.3425 175.3277 88 K 4.7120 8.8374 120.2104 55.4857 36.7036 176.5897 89 S 4.9756 8.5805 113.5678 57.9866 64.8187 173.6109 90 L 4.9172 7.5412 119.0732 51.9468 45.3452 174.8172 91 P 4.2939 0.0000 0.0000 65.6885 30.6098 177.4877 92 S 4.3630 7.9259 112.5644 57.6370 62.9202 174.2625 93 A 3.8792 8.5243 129.8840 53.6694 18.7426 178.3059 94 F 4.3179 8.4181 115.2287 59.5768 39.6103 175.9170 95 T 4.0468 7.3118 118.2301 65.0547 67.8731 174.6652 96 G 3.9031 8.9419 115.0931 45.6799 0.0000 172.4248 97 T 4.4339 7.6308 110.2810 60.2422 71.0745 174.1801 98 D 4.7940 8.3496 118.7979 53.6195 40.0092 177.9592 99 L 3.9169 8.1079 123.1644 58.5554 42.0405 178.6655 100 A 4.4201 8.3567 120.3843 55.4293 18.4214 179.6803 101 G 3.6446 8.2110 103.7048 47.5793 0.0000 175.6092 102 W 3.9982 8.2045 129.8042 60.1702 31.1002 177.6692 103 L 4.2122 8.5069 118.9334 58.0534 41.1489 179.5085 104 A 4.0234 8.2268 120.2150 55.0032 18.0889 179.2094 105 A 4.1020 7.8695 117.7092 53.8126 18.2446 178.3242 106 R 4.2129 7.4025 115.7016 55.3912 30.6232 176.5591 107 Q 3.6617 7.9411 114.6856 56.7129 26.7530 173.7485 108 I 4.0512 7.2218 119.9897 61.7005 37.5250 175.6537 109 D 5.0099 8.9899 123.5731 53.5314 41.6847 175.9055 110 T 5.1624 7.7849 116.5125 62.1388 72.9507 172.1476 111 L 5.0288 9.1897 129.6289 53.7782 44.3161 175.0154 112 T 4.8212 9.0189 124.4283 62.2333 70.3484 173.8318 113 V 4.5799 8.7647 127.9769 61.4725 33.5120 174.7863 114 T 4.4406 8.5894 116.8708 60.3904 73.1759 173.4671 115 G 3.2286 8.6557 107.2610 43.9586 0.0000 171.2709 116 Y 4.6971 7.5505 116.4592 56.5439 40.6918 175.3693 *118 T 4.6991 8.8227 120.7427 63.9400 70.3275 175.2818 119 H 3.1800 7.4394 112.3439 55.1970 29.1457 174.8002 120 N 4.7063 7.2507 116.7320 53.6535 40.5639 175.4116 *122 D 4.4954 8.1822 116.7630 54.4492 42.9591 177.4947 123 A 4.0034 7.6063 120.5351 55.1517 18.2930 179.8444 124 S 4.0058 8.2166 113.7498 62.0624 62.8708 177.0895 125 T 4.1224 7.8726 117.8382 66.8100 68.2411 176.6273 126 I 3.7991 8.0887 121.9559 64.3395 37.2265 177.9344 127 N 4.3250 8.3518 118.0207 57.0126 38.8261 176.6351 128 H 4.1571 8.1688 117.1593 58.7534 28.8071 177.4504 129 A 3.6660 8.0340 122.5986 55.1977 18.2228 179.7645 130 V 3.7116 8.1722 116.9152 66.6127 31.4852 177.5214 131 H 4.4849 8.0058 112.7499 57.0440 28.8065 176.6705 132 S 4.4856 7.6222 114.9493 58.4272 63.4989 174.8963 133 G 3.9663 7.8885 111.1761 44.9862 0.0000 173.4878 134 L 4.4812 7.4940 119.2237 53.9088 42.6438 176.9168 135 A 4.3656 8.7630 124.3904 52.0090 19.9421 176.6702 136 V 4.9767 8.3541 118.7442 61.2065 35.4829 174.0730 137 E 5.3121 9.3999 126.0039 54.5773 33.4630 174.7760 138 F 5.0991 9.2771 124.6857 56.5554 42.9216 173.7211 139 L 4.8133 7.9175 127.5210 53.5750 41.4087 177.5248 140 H 4.1384 8.6278 121.3281 57.3177 29.0645 176.1628 141 D 4.7316 7.7281 118.2223 53.0684 39.8234 176.2738 142 A 4.7277 7.7304 121.8239 51.9157 20.4615 175.8874 143 T 4.9742 7.2105 108.4040 61.9658 72.1400 172.4858 144 G 4.1292 7.1754 108.7516 46.9893 0.0000 171.5661 145 S 5.0142 8.6183 115.7184 56.7519 67.5405 173.5894 146 V 4.8264 7.9140 113.0217 58.7998 34.8811 174.1595 147 P 4.5168 0.0000 0.0000 62.9271 32.5999 175.0699 148 Y 5.1638 8.4305 117.7377 56.4758 42.4181 174.2639 149 E 5.1199 8.8362 122.7601 54.6101 33.0728 174.2423 150 N 4.8767 8.8265 122.5449 52.2235 39.7324 174.7419 151 S 4.1778 8.7027 111.3853 61.1414 63.1116 174.7394 152 A 4.1991 8.6434 122.9905 52.5850 19.2202 176.8895 153 G 3.8384 6.7491 102.1635 43.8696 0.0000 171.8007 154 F 5.3685 8.5171 121.6872 56.4287 42.1338 175.7855 155 A 4.6596 7.8207 126.3040 50.1486 22.7121 176.1683 156 S 4.3926 8.9281 117.0950 57.6271 64.5062 175.4697 157 A 3.9474 8.5643 121.9372 55.1996 17.9872 179.5410 158 E 3.1502 7.9288 117.3188 59.1771 29.6027 178.7791 159 E 3.8832 8.0095 118.5896 59.3337 29.5175 179.3366 160 I 3.7404 7.8608 119.9875 64.7688 37.1435 177.9807 161 H 4.2561 8.4709 119.1713 59.1939 29.6398 177.2363 162 R 3.8708 8.2902 120.6555 59.4223 29.9136 178.2898 163 V 3.5505 7.9997 118.3040 66.4248 31.4776 178.0331 164 F 3.7476 8.4911 117.1334 60.4566 38.7147 177.9009 165 S 4.0810 8.3805 115.0589 61.6173 62.7267 176.9801 166 V 3.6100 8.1515 121.3260 65.9300 30.9990 178.2897 167 V 3.5909 7.9921 118.2954 65.7923 31.2573 177.9647 168 L 4.0948 8.3338 119.1682 58.0613 41.6513 179.3300 169 Q 4.2738 8.4715 120.8630 58.5586 29.0010 178.3631 170 S 4.2898 8.0628 114.8438 60.9273 62.8463 174.7572 171 R 4.3893 7.3888 119.8307 56.8427 37.0325 175.3030 172 F 4.4965 8.3594 115.0953 58.3752 39.8841 175.3997 173 A 4.9620 7.5365 119.6240 50.4888 22.9705 175.1982 174 A 4.8092 9.0406 122.4133 51.3963 19.7870 176.8601 175 V 4.8548 9.3262 123.8568 62.2744 32.7098 175.1011 176 A 5.0150 8.8953 128.4359 50.7433 23.4579 175.5645 177 S 4.3812 8.9405 113.6682 57.8344 64.3970 175.6284 178 T 3.9331 8.6825 117.8898 66.8843 68.0190 176.7701 179 D 4.3919 8.0802 120.3037 57.4873 40.9466 178.4818 180 E 4.0157 8.3030 119.0325 59.0744 29.3705 179.3226 181 W 4.1178 8.4410 128.2973 60.5747 30.8784 177.9353 182 I 3.3669 8.2043 119.7366 64.4050 36.5911 178.2290 183 A 3.9107 8.0258 121.1387 55.1567 18.2194 179.5866 184 A 3.8864 7.9623 119.2747 54.9611 18.0233 180.0672 185 V 3.1879 7.5411 117.1989 66.1059 31.3295 177.8838 186 Q 3.9679 7.7461 117.9716 59.0889 28.9372 178.1454 187 G 3.8122 8.0584 104.3589 44.3105 0.0000 173.6499 188 G 3.8386 7.5853 108.5349 47.0771 0.0000 173.5897 189 T 4.6535 7.5875 108.3423 58.3460 71.3935 172.0862 190 P 4.5278 0.0000 0.0000 62.6150 32.3021 175.7018 191 L 4.5166 7.5194 118.5279 53.2763 43.0282 176.7017 192 A 4.2364 8.4068 124.1342 52.1926 19.0754 177.1691 193 R 4.6363 8.4502 121.5447 54.6303 32.4957 176.8725 194 G 4.2149 8.2412 110.4200 45.8917 0.0000 172.0764 195 N 5.6270 8.1941 114.6120 51.0723 40.3717 175.9915 196 I 3.7127 8.5063 120.9341 64.5839 37.2223 178.0965 197 Y 4.0558 7.9992 119.6484 60.7366 38.7911 177.6980 198 A 3.9071 8.6180 121.8856 55.3218 18.3267 179.8392 199 S 4.0450 8.1527 113.6115 61.7329 62.8908 176.4737 200 N 4.2900 8.4355 120.1018 56.5248 38.5964 176.9756 201 Q 3.7863 8.1625 120.0146 58.7283 28.8686 178.7812 202 K 3.8490 8.0592 120.3314 59.4244 32.2505 178.7773 203 A 3.9913 7.7003 121.1924 55.2561 18.3198 179.8973 204 R 3.8762 8.1876 116.4656 59.1932 29.8631 179.1644 205 A 4.0007 8.0455 120.3540 54.8706 18.3992 179.4448 206 R 4.0204 7.8047 118.7280 60.3008 30.3056 179.2236 207 R 4.0533 7.7443 118.9737 61.2560 29.3904 178.6255 208 A 4.4820 7.9423 124.2653 52.4230 18.5475 177.0393 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 8.17 4.32 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 1.21 0.00 0.00 3 T 8.44 3.76 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 1.23 0.00 0.00 4 P 0.00 4.33 0.00 2.05 2.04 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 5 R 9.14 4.48 0.00 1.91 1.82 0.00 3.15 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 6 R 8.70 5.83 0.00 1.91 2.13 0.00 3.23 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 7 A 8.59 5.02 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 8 L 9.07 4.74 0.00 1.81 1.59 0.36 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.69 4.70 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.27 0.87 0.00 0.00 10 V 8.59 4.52 1.97 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 1.11 0.00 0.00 0.81 0.00 0.00 11 I 8.55 4.24 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.86 0.00 0.00 12 D 8.21 4.70 0.00 3.09 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 13 V 7.33 4.24 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 1.07 0.00 0.00 0.67 0.00 0.00 14 Q 8.15 5.25 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 15 N 8.96 4.45 0.00 2.89 2.85 0.00 0.00 6.87 8.42 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 16 E 8.14 3.62 0.00 1.43 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 1.47 1.72 0.00 17 Y 7.76 4.95 0.00 3.20 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.58 4.14 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 0.84 0.00 0.00 0.94 0.00 0.00 19 T 7.76 4.38 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 1.22 0.00 0.00 20 G 7.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.77 4.78 0.00 2.56 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 22 L 7.55 4.92 0.00 1.62 1.24 1.07 1.24 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 23 P 0.00 4.97 0.00 2.10 2.03 0.00 3.84 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 1.98 0.00 24 I 8.35 3.84 1.52 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.67 0.00 0.00 25 E 9.00 4.66 0.00 1.82 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 2.23 2.38 0.00 26 Y 7.61 4.46 0.00 3.01 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 27 P 0.00 3.37 0.00 1.72 1.59 0.00 3.72 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 28 D 8.32 4.27 0.00 2.65 2.46 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 29 V 8.23 3.73 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 0.89 0.00 0.00 0.74 0.00 0.00 30 Q 8.12 3.97 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 31 S 8.10 4.13 0.00 3.97 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 S 8.03 4.73 0.00 4.09 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 33 L 8.27 4.02 0.00 1.82 1.73 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.95 4.02 1.37 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 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0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 111 L 9.19 5.03 0.00 1.88 1.65 0.98 0.95 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 0.00 112 T 9.02 4.82 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 0.23 0.00 0.00 113 V 8.76 4.58 2.30 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 1.04 0.00 0.00 0.99 0.00 0.00 114 T 8.59 4.44 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 0.82 0.00 0.00 115 G 8.66 3.23 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 0.00 116 Y 7.55 4.70 0.00 2.00 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 0.00 0.00 0.00 *118 T 8.82 4.70 4.29 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 1.24 0.00 0.00 119 H 7.44 3.18 0.00 2.31 2.34 0.00 5.47 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 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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 0.00 130 V 8.17 3.71 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 0.97 0.00 0.00 1.14 0.00 0.00 131 H 8.01 4.48 0.00 3.27 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.62 4.49 0.00 3.94 3.90 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 0.00 133 G 7.89 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 0.00 0.00 0.00 134 L 7.49 4.48 0.00 1.76 1.68 1.09 0.91 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 0.00 135 A 8.76 4.37 1.35 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 0.00 136 V 8.35 4.98 2.37 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 1.26 0.00 0.00 1.03 0.00 0.00 137 E 9.40 5.31 0.00 1.96 1.88 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 2.34 2.33 0.00 138 F 9.28 5.10 0.00 3.03 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 0.00 139 L 7.92 4.81 0.00 1.26 1.32 0.32 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.63 4.14 0.00 3.40 3.62 0.00 5.72 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 0.00 141 D 7.73 4.73 0.00 2.84 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 0.00 142 A 7.73 4.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.21 4.97 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 0.78 0.00 0.00 144 G 7.18 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 S 8.62 5.01 0.00 3.86 3.59 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 0.00 146 V 7.91 4.83 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 0.82 0.00 0.00 0.70 0.00 0.00 147 P 0.00 4.52 0.00 2.07 2.01 0.00 3.68 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 2.01 2.17 0.00 148 Y 8.43 5.16 0.00 2.73 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 0.00 149 E 8.84 5.12 0.00 2.20 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 2.65 0.00 150 N 8.83 4.88 0.00 2.90 2.83 0.00 0.00 6.36 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 0.00 151 S 8.70 4.18 0.00 4.00 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 0.00 152 A 8.64 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 0.00 153 G 6.75 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 0.00 154 F 8.52 5.37 0.00 3.05 2.95 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 0.00 155 A 7.82 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.93 4.39 0.00 3.96 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 0.00 157 A 8.56 3.95 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 0.00 158 E 7.93 3.15 0.00 1.40 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 1.47 1.70 0.00 159 E 8.01 3.88 0.00 2.15 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 2.31 2.32 0.00 160 I 7.86 3.74 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.70 0.00 0.00 161 H 8.47 4.26 0.00 3.43 3.55 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 0.00 162 R 8.29 3.87 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 163 V 8.00 3.55 2.24 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 0.89 0.00 0.00 0.95 0.00 0.00 164 F 8.49 3.75 0.00 3.22 2.94 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 0.00 165 S 8.38 4.08 0.00 4.05 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 0.00 166 V 8.15 3.61 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 0.98 0.00 0.00 0.95 0.00 0.00 167 V 7.99 3.59 1.89 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 0.93 0.00 0.00 0.85 0.00 0.00 168 L 8.33 4.09 0.00 1.77 1.66 0.02 0.84 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 0.00 169 Q 8.47 4.27 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 170 S 8.06 4.29 0.00 4.11 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 0.00 171 R 7.39 4.39 0.00 1.40 1.43 0.00 3.01 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 172 F 8.36 4.50 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 0.00 173 A 7.54 4.96 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 0.00 174 A 9.04 4.81 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 0.00 175 V 9.33 4.85 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 1.02 0.00 0.00 1.18 0.00 0.00 176 A 8.90 5.02 1.31 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 0.00 0.00 0.00 177 S 8.94 4.38 0.00 4.15 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 0.00 178 T 8.68 3.93 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 1.26 0.00 0.00 179 D 8.08 4.39 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 0.00 180 E 8.30 4.02 0.00 2.37 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 2.37 2.37 0.00 181 W 8.44 4.12 0.00 3.40 3.43 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 0.00 182 I 8.20 3.37 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 1.60 0.95 0.87 0.00 0.00 183 A 8.03 3.91 1.37 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 0.00 184 A 7.96 3.89 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 V 7.54 3.19 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.45 0.00 0.00 186 Q 7.75 3.97 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 187 G 8.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 7.59 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 0.00 189 T 7.59 4.65 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 1.19 0.00 0.00 190 P 0.00 4.53 0.00 2.23 2.12 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 191 L 7.52 4.52 0.00 1.82 1.72 1.23 0.88 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 0.00 192 A 8.41 4.24 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 0.00 193 R 8.45 4.64 0.00 1.70 1.85 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 194 G 8.24 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 0.00 195 N 8.19 5.63 0.00 2.81 2.87 0.00 0.00 6.75 7.83 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 0.00 196 I 8.51 3.71 1.88 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 1.50 0.81 0.93 0.00 0.00 197 Y 8.00 4.06 0.00 3.01 2.94 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 0.00 198 A 8.62 3.91 1.38 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 0.00 0.00 0.00 0.00 0.00 199 S 8.15 4.04 0.00 4.04 3.90 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 0.00 200 N 8.44 4.29 0.00 2.71 2.79 0.00 0.00 7.24 7.67 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 0.00 201 Q 8.16 3.79 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 202 K 8.06 3.85 0.00 1.91 1.76 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 203 A 7.70 3.99 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 0.00 204 R 8.19 3.88 0.00 1.93 1.95 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 205 A 8.05 4.00 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 0.00 206 R 7.80 4.02 0.00 1.94 2.08 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 207 R 7.74 4.05 0.00 1.98 1.84 0.00 3.32 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 208 A 7.94 4.48 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 * Residues marked with a * may have inaccurate shift predictions.