NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2281 8.1749 115.2403 61.4464 68.1641 173.3716 3 I 3.8014 8.4664 130.6936 61.4037 37.1361 174.4732 4 R 4.3877 9.6837 124.5116 55.8929 32.6696 175.1263 5 H 4.7015 9.4890 117.4855 54.3118 30.5474 172.8569 6 H 5.0503 8.4429 121.6352 53.5156 31.5561 173.6690 7 V 3.9017 8.1244 120.1084 62.1771 32.2030 176.5940 8 S 4.3224 8.5023 121.9065 58.6735 64.7041 175.1357 9 D 4.3822 8.7058 122.6372 57.6401 40.6999 179.0620 10 A 3.9973 7.9244 120.8343 54.9886 18.3630 179.4395 11 L 4.0521 7.6897 117.6926 57.6061 41.6850 179.5637 12 L 4.0773 8.0810 119.2230 57.9646 41.5473 179.5917 13 T 3.9166 8.2878 115.8429 66.4087 68.3523 176.7307 14 A 4.0073 7.9622 122.3672 55.2872 18.2171 179.0294 15 Y 3.9296 8.1596 116.9669 60.8721 38.9693 177.9879 16 A 4.1221 8.2963 120.4163 54.7355 18.5322 178.9599 17 A 4.1834 7.9559 118.5459 52.7825 18.7127 178.7061 18 G 3.7071 7.7989 104.7634 46.1983 0.0000 174.1700 19 T 4.2606 7.6341 107.2727 61.3380 69.3703 174.7501 20 L 4.3189 7.5301 124.3332 54.7918 43.1408 176.6991 21 S 4.4816 8.7182 119.0599 57.7632 65.1435 174.8331 22 E 3.8420 8.7658 125.1200 59.8865 29.7391 178.8754 23 A 3.9050 7.9040 119.9693 55.2877 18.3142 179.1739 24 F 4.3763 7.3371 114.8609 61.0413 39.1641 178.2488 25 S 4.3797 8.4695 114.5772 61.5376 62.5568 176.6462 26 L 3.8891 8.0011 123.2047 58.0068 41.8207 179.2876 27 V 3.5518 7.6680 117.7091 65.9207 31.5933 177.8428 28 V 3.5214 8.1228 118.1267 66.1794 31.4684 177.9129 29 A 3.7796 8.0324 119.9562 54.9942 17.9353 179.6912 30 T 3.9435 7.4400 113.5979 66.5793 68.7025 176.3862 31 H 4.3023 8.2434 120.3661 59.3942 29.7742 177.1201 32 L 3.6752 7.7768 119.7177 57.6796 41.5129 178.8702 33 S 4.5002 7.7273 110.7692 58.7715 63.4621 174.4272 34 L 4.4582 8.4674 122.3832 54.7500 43.7908 176.2449 35 C 4.6042 7.5207 117.4834 56.9925 33.2414 173.6124 36 D 4.4227 8.5516 129.1005 56.7569 40.4695 178.3985 37 E 3.8373 8.0042 119.8153 59.6370 29.7609 178.5164 38 C 4.2018 7.9385 116.0547 62.4659 28.3027 175.9384 39 R 3.8226 7.8717 120.5476 59.2819 29.7050 178.4135 40 A 4.0673 8.1011 120.6608 54.8461 18.3532 179.9521 41 R 3.8228 7.8792 116.5375 59.3190 30.1081 178.8887 42 A 4.1473 8.3201 121.0069 55.1769 18.3896 179.6889 43 G 3.7893 8.0223 103.6291 47.4680 0.0000 175.6196 44 A 4.0416 7.7020 121.9298 54.8597 18.7203 179.3813 45 L 4.1050 8.0635 117.4467 58.1076 41.5427 179.5280 46 D 4.4126 8.9471 119.1585 57.2192 40.7711 178.6180 47 A 4.0172 8.0814 121.4315 54.9973 18.2775 179.8840 48 V 3.6392 7.6794 116.6587 66.0627 31.3924 178.5282 49 G 3.7021 7.9931 104.0631 47.8484 0.0000 175.4891 50 G 3.7658 8.2186 107.4578 47.3800 0.0000 175.8332 51 S 4.3646 7.9475 117.2651 61.3037 62.7053 177.8565 52 L 4.0998 7.6068 118.7437 55.1867 41.5640 177.9372 *54 E 4.3262 8.2164 121.7684 55.6888 31.2042 175.7591 55 E 4.5973 8.0521 115.2802 56.1767 29.9793 175.2772 56 T 4.4043 7.6814 115.6561 61.9925 70.0618 174.4579 57 A 3.9784 8.6809 129.4347 51.7705 18.7070 175.5651 58 P 4.4068 0.0000 0.0000 62.7083 32.0639 176.0996 59 V 4.2258 7.9693 118.0737 60.5990 33.5642 175.2555 60 A 4.0956 8.6429 130.2222 52.5590 18.8169 176.5085 61 L 4.5962 8.0551 120.6744 52.7854 43.6345 176.9929 62 S 4.2139 8.4417 117.2823 58.7751 63.4491 174.5396 63 E 4.0243 8.4868 118.3678 57.6979 30.0279 177.7843 64 G 4.0788 8.8570 109.4870 45.6133 0.0000 175.7611 65 S 4.0736 7.9250 116.5497 61.4287 62.5816 176.1071 66 L 3.8966 7.8380 120.8048 58.2534 42.0217 178.2155 67 A 4.1204 7.9619 118.6675 55.2344 18.3276 179.0306 68 S 4.1986 8.2306 110.9250 61.4070 62.7823 179.2555 69 V 3.7209 8.0527 121.4907 62.6525 31.0838 177.6334 *71 A 4.2494 7.9961 121.2820 51.7039 20.2509 178.2444 72 Q 4.5294 7.7663 112.4600 55.8647 28.9488 175.3189 73 L 4.5105 7.6596 117.7932 53.3089 43.1014 175.6067 74 D 4.5755 8.5978 125.0147 54.1400 42.2252 177.5346 75 R 4.1492 8.2532 127.7917 55.8213 29.3114 173.4410 *87 D 4.4302 7.8369 119.6308 53.7995 41.9993 173.6296 88 P 4.5548 0.0000 0.0000 64.0574 31.5501 176.7735 89 R 4.5512 8.8046 114.9805 55.9429 29.6373 176.6810 90 A 4.6732 7.7726 122.2697 50.1027 19.4956 173.5485 91 P 4.6731 0.0000 0.0000 63.8171 33.1102 176.5945 92 A 3.8132 7.6077 118.8567 53.7225 18.5179 175.7843 93 P 4.8792 0.0000 0.0000 62.9439 34.4852 177.6594 94 L 3.7562 7.5158 117.7455 57.8809 42.1213 178.7890 95 A 4.0991 8.2064 121.1092 55.0130 18.5019 178.9154 96 D 4.4807 10.0051 114.9408 56.9059 41.0173 176.9336 97 Y 4.2379 8.2429 114.7567 58.0431 38.4639 175.4823 98 V 4.5884 7.2367 117.8118 60.7210 35.7235 176.4452 99 G 4.2014 8.3423 123.4022 45.7207 0.0000 176.1501 100 R 4.0797 9.0400 123.1208 59.2916 29.1447 175.6572 101 R 5.0222 7.5200 115.1438 53.8979 33.4514 177.6406 102 L 4.4050 8.4895 117.3793 58.0430 41.7560 179.0393 103 E 4.3733 8.4349 117.5215 58.5120 29.7231 176.8220 104 D 5.0063 7.6395 118.4035 53.6099 41.4798 176.3812 105 V 3.8521 7.5535 120.4344 60.7630 33.1880 177.4603 106 R 4.0962 7.6932 118.8576 55.3900 27.5039 172.9291 107 W 4.9882 8.1295 123.2805 55.6359 29.7826 176.2620 108 R 4.5591 9.0597 124.1623 55.7398 31.8273 175.3570 109 T 4.7055 8.3493 117.5705 62.3253 70.6519 173.9802 110 L 4.6523 8.3446 124.9595 53.9241 46.5453 175.7941 111 G 4.1635 8.1281 107.7736 46.0210 0.0000 175.0546 112 G 3.9874 8.2734 118.3871 46.3510 0.0000 172.5935 113 G 3.9032 9.3183 114.4340 45.1471 0.0000 173.3332 114 V 4.2769 7.4195 120.6379 62.6781 32.9828 175.0269 115 R 5.2615 9.3258 124.8520 53.4323 34.7972 174.1140 116 Q 5.4861 8.8607 118.1861 54.8041 32.7985 173.7891 117 A 4.6077 9.2445 122.7239 49.8907 21.4995 175.3512 118 I 4.1622 8.4402 122.3022 62.4595 37.9366 175.8434 119 L 4.8034 8.5031 127.0987 52.1777 43.4579 174.7628 120 P 4.4115 0.0000 0.0000 62.9193 31.5319 175.6878 121 T 4.7647 8.1200 112.3802 59.7812 71.8733 174.3067 122 G 3.7581 9.9040 113.0534 45.5467 0.0000 174.0344 123 G 3.9254 8.6522 112.0072 45.7778 0.0000 173.7327 124 E 4.6758 8.4297 112.3524 55.5024 30.5537 173.3670 125 A 4.7880 7.7080 120.4649 50.7314 22.2622 176.5121 126 I 4.4690 8.7997 121.4787 59.4659 40.1367 174.7319 127 A 5.3230 8.0627 126.2133 50.4810 22.4741 175.0482 128 R 4.8752 8.6537 114.5573 55.5085 33.5794 173.4910 129 L 5.1463 8.6892 120.7560 53.4447 43.8051 175.4299 130 L 5.2342 8.8692 124.1848 52.8074 44.3434 175.3071 131 W 4.6172 9.7540 135.0000 55.7708 32.7585 174.3126 132 I 4.7361 7.8965 128.6485 58.7410 39.3982 174.1009 133 P 5.4665 0.0000 0.0000 61.3462 32.8177 176.4012 134 G 4.1500 8.5241 111.1709 47.3511 0.0000 173.1299 135 G 3.9866 8.6971 111.8658 45.1667 0.0000 173.4116 136 Q 4.3608 7.6281 119.7630 54.8583 30.7302 173.4101 137 A 4.9897 7.8768 118.9429 49.9747 22.5286 176.1745 138 V 3.8751 8.0989 120.9435 61.6405 31.8017 174.3978 139 P 4.5786 0.0000 0.0000 63.8462 32.0352 176.0329 140 D 4.6343 8.4666 121.2075 53.2619 43.5932 174.5016 *141 H 4.8928 8.2442 115.2244 52.8312 31.4208 175.5374 142 G 3.7444 8.4531 110.9691 45.1165 0.0000 173.2241 143 H 4.3036 8.5712 125.8726 55.8216 29.4387 177.0027 144 R 4.2945 8.6696 118.6993 58.3356 30.7438 176.7719 145 G 4.2477 7.6366 100.6263 44.7148 0.0000 175.4901 146 L 4.8146 10.6801 130.2672 53.3646 45.1016 173.8221 147 E 5.2662 8.5329 122.8250 54.7583 33.0711 172.3174 148 L 5.2369 9.0496 124.5251 52.3782 44.7812 175.7076 149 T 5.1648 8.7242 119.7032 61.5926 72.6043 172.6978 150 L 5.0964 8.9498 127.4861 53.1217 45.2675 175.4419 151 V 4.1996 8.5794 127.2206 63.0676 31.9911 176.2183 152 L 4.1296 9.1645 127.4722 55.5121 43.4489 176.3872 153 Q 4.3543 8.0509 118.3872 55.2999 32.4987 174.8885 154 G 3.6433 8.9720 111.7393 46.0884 0.0000 172.1715 155 A 4.6500 8.0616 124.5430 52.1271 22.4469 174.7829 156 F 5.2893 8.0056 112.0608 56.1472 41.8525 173.6779 157 R 4.5871 9.3792 123.5329 55.7836 31.4804 177.0343 158 D 5.2374 8.8015 125.9952 52.6269 41.7290 173.2154 159 E 4.3536 8.6610 114.3014 60.3121 30.2614 177.5698 160 T 3.9891 8.2044 111.8502 62.7873 68.9148 176.2919 161 D 4.2673 6.6333 117.1332 54.0864 44.7822 180.3126 162 R 4.7557 7.7006 115.2944 56.2448 33.6670 175.6634 163 F 4.4162 8.2459 121.1967 56.2759 42.9733 174.3855 164 G 4.5011 8.4095 110.5787 42.9414 0.0000 171.2430 165 A 4.2708 8.3814 121.4097 53.9598 18.1219 177.8591 166 G 4.0867 9.5778 113.6671 45.4562 0.0000 173.4818 167 D 4.6972 8.3978 120.2868 54.2297 42.1454 175.2564 168 I 4.9565 8.3189 121.9254 59.1955 40.8045 174.0361 169 E 4.4978 8.9368 129.9893 54.6349 31.8935 174.6917 170 I 5.1126 8.1912 126.7341 58.9325 37.8628 174.8165 171 A 4.3202 8.8259 130.2900 52.5568 19.9699 176.6412 172 D 5.2092 8.5788 121.7499 52.3860 44.2252 178.1944 173 Q 4.1151 9.0597 119.1923 58.8654 28.2642 179.6751 174 E 4.1339 8.2456 113.3509 59.2016 29.9949 182.8264 175 L 4.3261 7.7235 119.2059 55.5305 41.5141 182.0315 176 E 4.7700 8.3930 111.9625 55.5170 33.1814 173.8786 177 H 4.9278 8.9432 125.5606 54.6489 31.8578 174.8327 178 T 4.6458 8.2168 114.1196 59.3218 71.9646 170.2433 179 P 4.7401 0.0000 0.0000 64.0426 31.2175 175.6277 180 V 4.8118 8.4366 121.8638 59.1291 35.0807 171.3269 181 A 4.7814 8.7094 127.5204 50.6537 19.9411 177.0050 182 E 4.3116 9.1523 122.9701 57.2313 30.8935 177.4111 183 R 4.5580 9.2690 120.3647 55.1848 31.0569 173.6104 184 G 3.8198 7.8950 113.4611 43.1016 0.0000 174.0908 185 L 4.7039 7.7180 119.5624 52.0452 45.4778 175.7839 186 D 4.3528 8.1208 120.0137 54.2977 42.3701 175.5371 187 C 5.1946 8.6333 124.5171 58.2377 32.2789 171.8060 188 I 4.7087 7.9103 127.5812 60.0215 39.0146 174.8959 189 C 5.4002 9.0866 123.2883 57.8093 32.9977 172.4762 190 L 5.2171 9.0602 121.8138 53.4832 44.1309 175.0465 191 A 5.4766 9.1166 127.6516 50.2801 22.9273 174.5767 192 A 5.0782 8.7531 120.3794 51.0430 22.9158 175.7229 193 T 5.2466 9.0165 118.9122 61.5324 72.8919 174.0289 194 D 4.5728 8.3054 122.0180 53.6139 39.7213 175.7586 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 4.23 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 1.18 0.00 0.00 3 I 8.47 3.80 1.93 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 1.44 0.78 1.07 0.00 0.00 4 R 9.68 4.39 0.00 1.47 1.78 0.00 3.02 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 5 H 9.49 4.70 0.00 3.33 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.44 5.05 0.00 3.15 3.28 0.00 5.69 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 7 V 8.12 3.90 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 0.80 0.00 0.00 0.90 0.00 0.00 8 S 8.50 4.32 0.00 4.08 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 9 D 8.71 4.38 0.00 2.71 2.77 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 10 A 7.92 4.00 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 11 L 7.69 4.05 0.00 1.79 1.71 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.08 4.08 0.00 2.01 1.75 0.89 0.53 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 13 T 8.29 3.92 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 1.23 0.00 0.00 14 A 7.96 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.16 3.93 0.00 3.05 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 16 A 8.30 4.12 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 17 A 7.96 4.18 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 18 G 7.80 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.63 4.26 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 1.21 0.00 0.00 20 L 7.53 4.32 0.00 1.68 1.72 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.72 4.48 0.00 4.08 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 22 E 8.77 3.84 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 23 A 7.90 3.90 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 24 F 7.34 4.38 0.00 3.09 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 25 S 8.47 4.38 0.00 4.12 4.11 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 26 L 8.00 3.89 0.00 1.67 1.76 0.54 -0.09 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 27 V 7.67 3.55 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 1.00 0.00 0.00 0.95 0.00 0.00 28 V 8.12 3.52 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 0.76 0.00 0.00 1.04 0.00 0.00 29 A 8.03 3.78 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.44 3.94 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 H 8.24 4.30 0.00 3.25 3.47 0.00 5.80 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 32 L 7.78 3.68 0.00 1.70 1.64 0.49 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.73 4.50 0.00 4.06 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 34 L 8.47 4.46 0.00 1.70 1.70 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.52 4.60 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.55 4.42 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.00 3.84 0.00 2.01 1.84 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 2.17 2.24 0.00 38 C 7.94 4.20 0.00 2.98 2.97 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 39 R 7.87 3.82 0.00 2.13 2.06 0.00 3.22 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 40 A 8.10 4.07 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 41 R 7.88 3.82 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 42 A 8.32 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.02 3.79 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 0.00 0.00 0.00 44 A 7.70 4.04 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 45 L 8.06 4.10 0.00 2.08 1.78 0.94 0.89 0.00 0.00 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0.00 0.00 0.00 2.19 2.37 0.00 55 E 8.05 4.60 0.00 2.12 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 2.49 2.26 0.00 56 T 7.68 4.40 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 57 A 8.68 3.98 1.25 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 0.00 0.00 0.00 58 P 0.00 4.41 0.00 2.19 2.07 0.00 3.71 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 1.99 1.95 0.00 59 V 7.97 4.23 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 0.84 0.00 0.00 0.93 0.00 0.00 60 A 8.64 4.10 1.25 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 0.00 0.00 0.00 61 L 8.06 4.60 0.00 1.62 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.44 4.21 0.00 4.00 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 63 E 8.49 4.02 0.00 2.01 1.79 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 2.23 1.89 0.00 64 G 8.86 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 0.00 0.00 0.00 65 S 7.92 4.07 0.00 3.84 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 66 L 7.84 3.90 0.00 1.61 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.96 4.12 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 68 S 8.23 4.20 0.00 3.94 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 69 V 8.05 3.72 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 0.95 0.00 0.00 1.00 0.00 0.00 *71 A 8.00 4.25 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 72 Q 7.77 4.53 0.00 2.00 2.11 0.00 0.00 0.00 0.00 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9.04 4.08 0.00 1.84 1.86 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 101 R 7.52 5.02 0.00 1.66 1.74 0.00 3.22 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 102 L 8.49 4.40 0.00 1.88 2.19 1.06 1.47 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 0.00 103 E 8.43 4.37 0.00 2.05 2.11 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 2.45 2.38 0.00 104 D 7.64 5.01 0.00 2.66 2.64 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 0.00 105 V 7.55 3.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 0.48 0.00 0.00 106 R 7.69 4.10 0.00 1.86 1.80 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 107 W 8.13 4.99 0.00 3.10 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 0.00 108 R 9.06 4.56 0.00 2.03 1.89 0.00 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0.00 5.47 0.00 2.10 2.08 0.00 3.91 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 134 G 8.52 4.15 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 0.00 135 G 8.70 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 0.00 0.00 0.00 136 Q 7.63 4.36 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 137 A 7.88 4.99 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 0.00 138 V 8.10 3.88 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 0.70 0.00 0.00 0.72 0.00 0.00 139 P 0.00 4.58 0.00 2.10 2.02 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 140 D 8.47 4.63 0.00 2.67 2.41 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 *141 H 8.24 4.89 0.00 2.87 2.81 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.45 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.57 4.30 0.00 3.19 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.67 4.29 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 145 G 7.64 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 0.00 0.00 0.00 0.00 146 L 10.68 4.81 0.00 1.61 1.31 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.53 5.27 0.00 1.80 1.77 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 2.13 2.12 0.00 148 L 9.05 5.24 0.00 1.71 1.62 1.00 0.46 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 0.00 149 T 8.72 5.16 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 1.22 0.00 0.00 150 L 8.95 5.10 0.00 1.71 1.50 1.02 0.84 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 0.00 151 V 8.58 4.20 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 0.97 0.00 0.00 1.12 0.00 0.00 152 L 9.16 4.13 0.00 1.62 1.87 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.05 4.35 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.80 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 154 G 8.97 3.64 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 0.00 155 A 8.06 4.65 1.20 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 0.00 156 F 8.01 5.29 0.00 3.22 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 0.00 157 R 9.38 4.59 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 158 D 8.80 5.24 0.00 2.73 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 0.00 159 E 8.66 4.35 0.00 1.88 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 0.00 2.27 1.86 0.00 160 T 8.20 3.99 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 0.00 161 D 6.63 4.27 0.00 2.57 2.58 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 0.00 0.00 0.00 0.00 162 R 7.70 4.76 0.00 1.60 1.56 0.00 3.09 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 163 F 8.25 4.42 0.00 1.85 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 0.00 164 G 8.41 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.38 4.27 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 0.00 166 G 9.58 4.09 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 0.00 0.00 0.00 167 D 8.40 4.70 0.00 2.94 2.81 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 0.00 168 I 8.32 4.96 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.01 0.76 0.00 0.00 169 E 8.94 4.50 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 170 I 8.19 5.11 1.87 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 1.24 0.79 0.87 0.00 0.00 171 A 8.83 4.32 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 0.00 172 D 8.58 5.21 0.00 2.32 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 0.00 173 Q 9.06 4.12 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 174 E 8.25 4.13 0.00 1.98 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 2.23 1.87 0.00 175 L 7.72 4.33 0.00 1.68 1.51 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.39 4.77 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 177 H 8.94 4.93 0.00 3.05 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.22 4.65 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 0.00 179 P 0.00 4.74 0.00 2.02 2.36 0.00 3.78 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 2.25 2.01 0.00 180 V 8.44 4.81 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 0.93 0.00 0.00 181 A 8.71 4.78 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 0.00 182 E 9.15 4.31 0.00 2.15 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 0.00 2.33 2.28 0.00 183 R 9.27 4.56 0.00 1.82 1.70 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 184 G 7.89 3.82 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 0.00 0.00 0.00 185 L 7.72 4.70 0.00 1.58 1.51 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 186 D 8.12 4.35 0.00 2.28 1.83 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 0.00 187 C 8.63 5.19 0.00 3.21 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 0.00 188 I 7.91 4.71 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.05 1.07 0.00 0.00 189 C 9.09 5.40 0.00 2.82 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 0.00 190 L 9.06 5.22 0.00 1.73 1.51 0.95 1.09 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 0.00 191 A 9.12 5.48 1.20 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 0.00 192 A 8.75 5.08 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 0.00 193 T 9.02 5.25 4.11 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 0.88 0.00 0.00 194 D 8.31 4.57 0.00 2.67 3.15 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 * Residues marked with a * may have inaccurate shift predictions.