NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3269 8.1593 117.3720 63.0519 69.9513 172.9716 4 R 3.9769 8.2123 118.4543 54.9700 29.9877 174.1190 5 P 4.1879 0.0000 0.0000 62.9874 32.8266 177.2872 6 R 4.5424 7.6653 118.8743 54.2600 33.0665 175.4631 7 F 4.7955 8.4878 118.0694 55.6159 42.3230 173.9966 8 L 4.9086 8.6260 127.0395 53.1106 44.8559 174.2944 9 E 5.4543 8.9980 126.1300 54.7175 32.2779 174.7414 10 Q 4.8481 9.4955 124.2853 54.3965 33.6548 174.2095 11 V 4.8329 8.3025 120.0098 61.3183 35.1895 174.5502 12 K 4.5099 9.2361 126.0657 55.0993 35.8492 174.8839 13 H 5.2702 8.9770 122.9505 54.4906 29.9715 174.0607 14 E 4.9129 9.3668 123.9226 54.6530 32.5649 174.8860 15 C 5.2822 8.9602 120.2088 55.7377 44.1496 173.1296 16 H 4.7179 9.1628 122.9611 54.2574 29.9985 174.2264 17 F 5.3229 8.6455 122.3115 55.7846 40.6787 175.4140 18 F 4.6447 8.8596 120.9589 55.9522 42.3553 174.6138 19 N 4.2691 9.6625 122.0645 54.7294 37.8784 173.5345 20 G 3.8914 7.5670 114.6963 47.4610 0.0000 173.2407 21 T 4.5270 8.2405 113.8885 60.9500 68.7802 174.7226 22 E 4.0540 7.9806 125.6069 58.9170 30.0479 177.1253 23 R 4.7442 7.9958 117.8041 54.4386 33.3797 174.4514 24 V 5.0758 8.5019 124.9146 61.2496 34.8921 173.9855 25 R 4.7590 9.0476 127.4125 54.4367 33.1973 173.6988 26 F 5.6092 10.0913 129.0902 56.4632 42.5522 173.7902 27 L 4.8670 8.3388 124.9226 52.8507 45.6497 174.9707 28 D 4.8398 8.6700 123.7732 52.6624 42.7798 174.2551 29 R 4.8987 8.9261 125.4495 54.3559 33.0116 174.9158 30 Y 4.8690 8.1103 120.1991 56.0454 41.2305 174.7018 31 F 5.5190 9.8723 122.2282 55.8736 43.4604 173.3972 32 Y 5.0966 9.5719 124.7030 57.7554 40.4508 176.9713 33 H 4.1693 9.8337 129.7356 57.1565 26.9985 175.9501 34 Q 4.4901 9.4229 127.1894 56.2285 30.2943 173.0045 35 E 4.7114 8.2101 118.8960 54.8177 30.8919 174.3777 36 E 4.1568 9.1205 128.0886 56.1949 30.3639 175.2930 37 Y 4.8872 8.2325 123.6075 56.4457 40.9502 175.7253 38 V 5.1049 6.9739 118.5954 60.7097 34.9320 173.2618 39 R 5.3637 9.1624 118.0746 55.3126 33.5018 173.1812 40 F 4.6405 8.8910 122.9279 56.2649 41.9436 173.3221 41 D 5.1439 7.5675 125.8091 52.0712 42.6785 176.9200 42 S 4.2755 9.0039 122.0048 60.8052 63.0822 174.9959 43 D 4.4800 8.2507 119.8341 55.3094 41.1557 177.3127 44 V 3.7846 7.8426 118.9667 64.1931 32.0995 176.8965 45 G 4.0657 8.8212 106.0425 45.2045 0.0000 172.4319 46 E 5.0040 7.0556 114.9433 54.9472 32.4843 174.3104 47 Y 4.5666 9.1101 117.7729 58.3217 38.7741 175.9295 48 R 4.8923 9.2398 121.1461 54.2046 34.7421 174.5539 49 A 4.5121 8.7292 124.6773 52.3668 18.5765 177.5116 50 V 4.1280 8.8997 122.6079 64.3881 32.6070 176.1789 51 T 4.7962 7.6736 108.2935 58.5233 72.2432 173.9200 52 E 3.9979 8.8647 122.3419 59.5806 29.1125 178.8274 53 L 4.0200 8.0478 119.2430 57.4483 42.5396 178.0198 54 G 4.0527 8.3017 104.0467 44.7447 0.0000 175.2499 55 R 3.8811 7.7815 121.8484 59.0196 30.0670 176.2354 56 P 4.1273 0.0000 0.0000 66.0129 31.2219 178.2790 57 D 3.5524 7.7044 116.5400 56.6424 40.4898 178.5676 58 A 4.0242 7.6042 120.8309 55.3273 18.2580 179.5411 59 E 3.9308 7.8962 115.6323 59.6167 29.6605 178.8080 60 Y 4.3513 7.9084 119.4553 60.7357 39.0469 178.1528 61 W 4.0603 8.0453 120.0857 59.7560 28.9188 178.3288 62 N 4.6942 8.5683 115.8075 55.4981 38.0281 176.5375 63 S 4.7848 7.5961 114.0992 57.8682 63.8021 173.9305 64 Q 4.4391 7.8007 122.5476 53.8335 29.8204 175.7353 65 K 3.8184 8.8726 124.9066 60.0182 32.2123 178.0069 66 D 4.3801 8.0664 118.1577 56.9536 40.7368 178.4579 67 L 3.8307 7.7890 121.0102 58.2792 42.1218 179.1097 68 L 4.0386 7.8959 118.3828 57.5383 41.3260 179.0053 69 E 3.9019 7.9859 118.7628 59.3108 29.7751 178.3819 70 Q 4.0105 7.8440 119.0991 59.1707 29.1295 178.3659 71 K 3.7055 7.6847 119.0457 59.2592 31.7291 179.6042 72 R 4.2823 8.1989 117.4887 58.2193 30.1051 177.8149 73 A 4.5589 7.3375 119.2625 51.9485 19.2224 178.4240 74 A 3.7803 7.5972 124.6960 55.0016 18.2403 180.7904 75 V 3.5734 7.8179 110.5436 64.0908 31.0194 177.7830 76 D 4.5367 7.8377 117.6738 56.6435 41.4330 178.5037 77 T 3.9188 8.1587 109.1004 64.1130 68.7740 173.6404 78 Y 4.8102 8.2933 120.9426 58.3733 41.4373 176.1659 79 C 4.0631 8.0078 115.8181 60.7389 34.7741 176.3948 80 R 4.0072 8.4733 118.9864 59.7516 29.7087 178.8326 81 H 4.1723 7.8837 117.6204 59.4404 29.7896 177.1995 82 N 4.3380 8.5690 118.7187 56.1389 38.1691 176.7270 83 Y 3.7644 8.4710 121.5837 60.7050 38.6185 178.6283 84 G 3.6397 7.8321 104.5947 47.6378 0.0000 175.4599 85 V 3.8225 7.3323 119.6129 65.0892 31.9519 176.9674 86 G 3.0613 7.1908 104.8940 44.5040 0.0000 174.1355 87 E 3.3775 7.5448 123.3211 58.9681 29.5943 179.5367 88 S 4.2465 7.8063 111.8378 60.3509 63.1374 174.6200 89 F 4.7334 7.2196 113.1736 56.3071 37.7335 175.0809 90 T 4.3732 6.4732 108.5536 63.2132 71.2797 176.0986 91 V 3.5853 7.3953 124.5636 64.3625 31.9691 177.0832 92 Q 4.5122 7.5101 115.5804 55.1617 29.0168 175.6108 93 R 4.0264 7.6481 119.5585 56.4988 30.5166 176.1802 94 R 4.9260 8.4170 123.0355 54.6622 33.9120 174.5302 95 V 4.4350 9.0244 122.5767 60.9323 34.8054 174.2729 96 Y 5.0650 8.6229 125.1384 57.5860 38.5936 174.2844 97 P 4.7296 0.0000 0.0000 62.2823 32.6390 175.1887 98 E 4.5049 9.6785 126.4658 55.1281 31.1478 174.8022 99 V 4.9525 8.3991 126.2766 61.5011 34.2986 174.7357 100 T 4.7821 8.8158 123.1806 62.0062 72.9364 172.7347 101 V 5.0086 8.7208 126.1903 61.2762 33.6543 174.1094 102 Y 4.9563 8.2061 124.8017 54.8665 41.7271 172.8665 103 P 4.5227 0.0000 0.0000 61.9820 32.7424 175.4335 104 A 4.3310 8.6776 121.9035 51.8209 21.1988 175.9194 *113 N 4.4975 7.7670 117.8651 55.1087 40.4025 173.0788 114 L 5.0544 8.0275 124.0132 52.7973 46.6639 175.0469 115 L 4.3138 7.8971 120.6928 52.8806 43.9940 175.6950 116 V 4.4940 8.3450 124.6663 61.0524 34.2423 173.6991 117 C 5.1491 8.9330 127.3843 55.0020 43.9010 172.1440 118 S 5.0569 9.0674 122.9960 56.9709 63.8494 172.7883 119 V 4.7102 9.1280 128.2562 61.5578 33.0517 174.0998 120 N 5.3027 9.4505 125.5394 51.8252 42.6889 175.2292 121 G 4.0810 8.3314 108.0681 46.4650 0.0000 173.7791 122 F 5.4054 7.5794 114.1402 55.4518 40.6467 173.8303 123 Y 5.0420 8.3926 118.2050 56.2889 42.1156 173.1717 124 P 3.5094 0.0000 0.0000 62.2642 31.9980 175.6807 125 G 2.6670 8.0312 107.9399 47.7598 0.0000 175.1191 126 S 4.0550 7.5632 114.4254 58.4829 63.2565 173.0846 127 I 4.6016 7.7814 122.9458 59.8617 41.3218 173.2453 128 E 4.6039 9.0611 125.3164 54.5001 32.7363 175.0109 129 V 4.6586 8.4577 124.5523 61.1034 33.7432 174.7566 130 R 4.7596 9.1738 126.7839 54.1717 34.2624 174.4194 131 W 5.4103 8.6003 121.3985 55.3189 31.7092 175.1212 132 F 5.4105 10.2637 122.3516 55.8058 43.1098 174.2950 133 R 4.8613 9.0283 121.3342 54.8730 32.9982 174.9689 134 N 4.1614 9.7456 126.4829 54.4632 36.6205 175.9270 135 G 4.0568 8.4786 104.7020 45.5770 0.0000 173.5603 136 Q 4.6687 7.9736 119.9151 53.6538 30.3472 174.8092 137 E 3.5435 8.6890 124.0940 56.0072 30.1205 175.9273 138 E 4.3395 8.7309 126.7988 55.2302 29.1839 175.8457 139 K 4.3303 8.4603 124.8666 56.1657 33.1361 176.0542 140 T 4.5602 7.6351 107.7670 61.5175 71.1337 173.7001 141 G 3.6785 8.7534 110.6858 46.7253 0.0000 172.5428 142 V 4.7611 7.8305 119.0961 60.6343 33.7968 174.5637 143 V 4.3941 9.0800 128.5012 61.1675 33.8589 173.9227 144 S 5.2577 8.6249 122.5203 56.9199 63.9070 173.7678 145 T 4.0075 8.7918 120.8204 63.1171 67.6887 174.9454 146 G 3.9146 8.0798 106.7850 44.7149 0.0000 172.3013 147 L 4.3029 8.1288 120.7799 54.8710 42.8058 175.8829 148 I 4.5598 8.9860 127.6594 59.5702 39.7871 174.2956 149 Q 4.4013 8.6763 128.4876 55.1809 29.4959 175.2200 150 N 4.3982 8.4903 123.1857 53.3337 39.0919 176.2230 151 G 3.8619 8.0589 106.0112 45.7765 0.0000 173.2617 152 D 4.8685 7.1135 117.2712 52.6430 39.8687 174.9680 153 W 3.2845 8.2752 115.4818 58.3334 26.6215 174.2955 154 T 4.9694 7.2720 105.6384 60.7329 71.8749 172.7427 155 F 5.3270 8.7894 122.7205 56.1809 42.8809 173.8036 156 Q 4.9371 8.6195 114.9824 56.3914 32.0011 173.3173 157 T 4.9922 9.1132 114.2928 61.0945 71.7539 172.1086 158 L 5.2030 8.6446 126.6193 52.9803 45.2212 175.3440 159 V 4.7107 8.8112 124.7088 61.6043 33.6027 174.2180 160 M 5.0090 9.4241 128.6180 53.9011 34.6273 175.0848 161 L 4.6982 8.3111 124.2494 53.1858 44.5637 175.4061 162 E 4.3695 8.9789 127.8377 56.1646 29.0016 175.8506 163 T 4.4690 7.7663 113.5213 60.5760 72.6695 173.9350 164 V 4.0908 8.1352 121.6560 60.0703 31.4394 172.9741 165 P 4.5794 0.0000 0.0000 63.4265 31.7315 176.2571 166 R 4.8406 8.3363 119.7927 54.2092 34.3597 175.3762 167 S 4.1993 8.3764 115.6701 59.8520 63.4298 175.6844 168 G 3.9729 8.7838 111.8180 45.5823 0.0000 173.7413 169 E 4.2475 7.4568 119.2856 55.6311 30.4637 175.8068 170 V 4.4095 8.2855 122.8926 61.2661 34.1587 173.7275 171 Y 5.5706 8.9642 125.2157 56.6859 41.1875 174.8175 172 T 5.2533 9.7440 120.3390 62.0185 72.9240 171.8688 173 C 4.4962 9.1488 126.4549 54.7450 42.7184 171.8869 174 Q 5.0497 9.2704 127.7113 54.3061 31.3802 173.9251 175 V 4.7733 8.9217 127.0713 61.0798 34.1924 173.8977 176 E 4.9649 9.3070 127.4149 54.8630 32.3585 174.5381 177 H 4.9288 8.5155 122.1728 54.1897 33.0520 172.3794 178 P 4.2439 0.0000 0.0000 65.4801 31.4343 178.0054 179 S 4.4013 8.3268 112.0120 59.8656 63.5718 173.8814 180 V 4.6468 7.6117 115.2316 59.5057 33.0695 176.1456 181 T 4.0946 8.6846 115.0092 64.0987 68.9893 174.6684 182 S 4.6767 7.5150 113.5303 54.9985 66.1643 171.2786 183 P 4.2694 0.0000 0.0000 62.9917 31.9996 175.0032 184 L 4.6838 8.7455 125.9373 53.6534 43.8238 175.1931 185 T 5.6277 8.3207 115.3032 58.8904 72.0749 173.4578 186 V 4.4994 8.1433 122.6707 61.3727 34.6762 173.6024 187 E 5.4048 9.0128 125.8066 54.5762 32.1238 174.9953 188 W 5.1107 9.9075 131.1558 55.8820 34.2724 174.2115 189 R 4.6496 7.4323 123.2873 54.1371 33.7416 175.0819 190 A 3.6985 8.0039 123.8540 52.1680 19.0912 177.1351 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 3 T 8.16 4.33 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 1.21 0.00 0.00 4 R 8.21 3.98 0.00 2.04 1.96 0.00 3.09 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 5 P 0.00 4.19 0.00 2.01 1.83 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 6 R 7.67 4.54 0.00 1.54 1.69 0.00 3.28 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 7 F 8.49 4.80 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 8 L 8.63 4.91 0.00 1.75 1.51 0.96 0.83 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 9 E 9.00 5.45 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 10 Q 9.50 4.85 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 11 V 8.30 4.83 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 0.20 0.00 0.00 0.90 0.00 0.00 12 K 9.24 4.51 0.00 1.90 1.72 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.33 1.36 7.81 13 H 8.98 5.27 0.00 3.29 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.37 4.91 0.00 1.91 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 2.30 2.29 0.00 15 C 8.96 5.28 0.00 2.87 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 16 H 9.16 4.72 0.00 3.16 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.65 5.32 0.00 2.85 3.17 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 18 F 8.86 4.64 0.00 3.03 2.98 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 19 N 9.66 4.27 0.00 2.93 2.85 0.00 0.00 7.14 8.08 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 20 G 7.57 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.24 4.53 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 0.67 0.00 0.00 22 E 7.98 4.05 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 23 R 8.00 4.74 0.00 1.93 1.83 0.00 2.86 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 24 V 8.50 5.08 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 0.65 0.00 0.00 1.03 0.00 0.00 25 R 9.05 4.76 0.00 2.01 1.85 0.00 3.10 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 26 F 10.09 5.61 0.00 3.06 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 27 L 8.34 4.87 0.00 1.41 1.33 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.67 4.84 0.00 2.68 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 29 R 8.93 4.90 0.00 1.94 1.51 0.00 3.08 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 30 Y 8.11 4.87 0.00 2.40 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 31 F 9.87 5.52 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.57 5.10 0.00 3.01 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 33 H 9.83 4.17 0.00 3.18 2.67 0.00 5.65 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 34 Q 9.42 4.49 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 35 E 8.21 4.71 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 36 E 9.12 4.16 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.53 0.00 37 Y 8.23 4.89 0.00 3.22 3.22 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 0.00 38 V 6.97 5.10 2.15 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 0.61 0.00 0.00 1.10 0.00 0.00 39 R 9.16 5.36 0.00 1.86 2.11 0.00 2.65 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 40 F 8.89 4.64 0.00 1.51 2.34 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 41 D 7.57 5.14 0.00 2.53 2.20 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 42 S 9.00 4.28 0.00 4.12 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 43 D 8.25 4.48 0.00 2.71 2.68 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 0.00 0.00 0.00 44 V 7.84 3.78 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 0.69 0.00 0.00 0.80 0.00 0.00 45 G 8.82 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.06 5.00 0.00 2.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 55 R 7.78 3.88 0.00 1.91 1.91 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 56 P 0.00 4.13 0.00 1.98 1.93 0.00 3.60 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 1.97 2.09 0.00 57 D 7.70 3.55 0.00 2.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.90 3.93 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 60 Y 7.91 4.35 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.05 4.06 0.00 3.19 2.66 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 62 N 8.57 4.69 0.00 2.87 2.99 0.00 0.00 7.08 7.55 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 63 S 7.60 4.78 0.00 4.02 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 64 Q 7.80 4.44 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 65 K 8.87 3.82 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.58 7.81 66 D 8.07 4.38 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 67 L 7.79 3.83 0.00 1.64 1.77 0.65 0.51 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 68 L 7.90 4.04 0.00 1.78 1.81 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.99 3.90 0.00 2.14 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 0.00 2.30 2.31 0.00 70 Q 7.84 4.01 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 71 K 7.68 3.71 0.00 0.99 0.74 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.33 7.81 72 R 8.20 4.28 0.00 2.00 2.08 0.00 3.30 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 73 A 7.34 4.56 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 74 A 7.60 3.78 0.37 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 75 V 7.82 3.57 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 0.98 0.00 0.00 0.95 0.00 0.00 76 D 7.84 4.54 0.00 2.81 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 77 T 8.16 3.92 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 78 Y 8.29 4.81 0.00 2.75 2.85 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 79 C 8.01 4.06 0.00 3.23 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.22 4.73 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.47 4.37 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 0.86 0.00 0.00 91 V 7.40 3.59 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 0.81 0.00 0.00 0.42 0.00 0.00 92 Q 7.51 4.51 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 93 R 7.65 4.03 0.00 1.85 2.10 0.00 2.75 0.00 0.00 2.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 94 R 8.42 4.93 0.00 1.77 1.81 0.00 3.45 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 95 V 9.02 4.44 2.28 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 1.13 0.00 0.00 1.01 0.00 0.00 96 Y 8.62 5.07 0.00 2.97 2.78 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 0.00 0.00 0.00 0.58 0.00 0.00 0.78 0.00 0.00 130 R 9.17 4.76 0.00 1.92 1.69 0.00 3.20 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 131 W 8.60 5.41 0.00 3.27 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 0.00 132 F 10.26 5.41 0.00 3.03 3.03 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 0.00 133 R 9.03 4.86 0.00 1.95 1.77 0.00 3.37 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.00 134 N 9.75 4.16 0.00 2.87 2.83 0.00 0.00 7.12 7.26 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 0.00 135 G 8.48 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 0.00 0.00 0.00 136 Q 7.97 4.67 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 137 E 8.69 3.54 0.00 1.17 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 0.00 2.03 1.89 0.00 138 E 8.73 4.34 0.00 2.00 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 2.35 2.46 0.00 139 K 8.46 4.33 0.00 1.63 1.77 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.44 7.81 140 T 7.64 4.56 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 1.19 0.00 0.00 141 G 8.75 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.83 4.76 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 0.99 0.00 0.00 1.03 0.00 0.00 143 V 9.08 4.39 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 0.89 0.00 0.00 0.91 0.00 0.00 144 S 8.62 5.26 0.00 3.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.79 4.01 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 1.28 0.00 0.00 146 G 8.08 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 0.00 0.00 0.00 147 L 8.13 4.30 0.00 1.65 1.60 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.99 4.56 2.08 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 1.15 0.67 0.92 0.00 0.00 149 Q 8.68 4.40 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 1.97 1.66 0.00 150 N 8.49 4.40 0.00 2.95 2.78 0.00 0.00 7.09 7.18 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 0.00 151 G 8.06 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 0.00 152 D 7.11 4.87 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 153 W 8.28 3.28 0.00 3.27 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 0.00 154 T 7.27 4.97 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 1.32 0.00 0.00 155 F 8.79 5.33 0.00 1.66 2.62 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 0.00 0.00 0.00 0.00 156 Q 8.62 4.94 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 157 T 9.11 4.99 4.46 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 1.33 0.00 0.00 158 L 8.64 5.20 0.00 1.69 1.55 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.81 4.71 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 160 M 9.42 5.01 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 161 L 8.31 4.70 0.00 0.27 0.19 0.70 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.98 4.37 0.00 1.76 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 2.24 2.15 0.00 163 T 7.77 4.47 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 1.05 0.00 0.00 164 V 8.14 4.09 2.10 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 0.87 0.00 0.00 0.91 0.00 0.00 165 P 0.00 4.58 0.00 2.33 2.56 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 166 R 8.34 4.84 0.00 2.21 1.81 0.00 3.41 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 167 S 8.38 4.20 0.00 3.88 3.76 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 0.00 168 G 8.78 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 0.00 169 E 7.46 4.25 0.00 2.12 1.46 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 2.20 2.20 0.00 170 V 8.29 4.41 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.89 0.00 0.00 171 Y 8.96 5.57 0.00 3.55 3.10 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 0.00 0.00 0.00 0.00 172 T 9.74 5.25 4.40 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 1.18 0.00 0.00 173 C 9.15 4.50 0.00 1.97 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 0.00 174 Q 9.27 5.05 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 175 V 8.92 4.77 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 0.70 0.00 0.00 0.75 0.00 0.00 176 E 9.31 4.96 0.00 1.83 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 2.18 2.19 0.00 177 H 8.52 4.93 0.00 3.00 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.24 0.00 1.98 2.07 0.00 2.93 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 179 S 8.33 4.40 0.00 4.14 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 0.00 180 V 7.61 4.65 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 0.69 0.00 0.00 1.00 0.00 0.00 181 T 8.68 4.09 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 1.26 0.00 0.00 182 S 7.52 4.68 0.00 3.90 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 0.00 183 P 0.00 4.27 0.00 1.88 2.02 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 184 L 8.75 4.68 0.00 1.62 1.42 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.32 5.63 4.16 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 1.08 0.00 0.00 186 V 8.14 4.50 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 1.19 0.00 0.00 0.92 0.00 0.00 187 E 9.01 5.40 0.00 2.23 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 2.22 2.33 0.00 188 W 9.91 5.11 0.00 3.53 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 0.00 189 R 7.43 4.65 0.00 1.38 1.52 0.00 3.16 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 190 A 8.00 3.70 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 * Residues marked with a * may have inaccurate shift predictions.