NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3509 8.4444 120.2271 55.7138 31.5822 175.6179 4 E 4.5127 7.7788 116.9611 52.7462 32.6028 170.7456 5 E 4.6394 8.9053 124.8407 54.0228 33.6015 174.6875 6 A 4.1432 8.5081 124.6133 51.9103 19.1369 176.8822 7 E 4.0767 8.4091 120.3062 56.1414 30.3517 176.5186 8 Q 4.3551 8.4403 123.5941 55.3001 29.2429 175.2620 9 N 5.0736 8.2616 119.0537 50.4858 43.1639 175.3956 10 L 3.8347 8.6022 122.2547 58.6009 42.2455 179.6822 11 S 4.5063 7.9141 115.8673 60.8000 62.5224 175.7430 12 E 4.1418 7.6620 119.9883 57.7247 29.4981 177.5203 13 L 4.4532 7.7454 117.2530 54.9887 42.5215 177.0466 14 S 4.8250 7.8362 116.3960 58.5028 63.9349 175.3834 15 G 3.8136 8.3907 110.5151 44.3073 0.0000 169.8104 16 P 5.1162 0.0000 0.0000 62.8368 32.4053 175.7145 17 W 5.5533 9.0237 122.3130 55.1101 33.3218 174.8027 18 R 5.2285 9.6587 120.4942 54.8639 34.0503 174.7836 19 T 4.3089 8.7869 118.7038 63.8083 69.0230 173.7422 20 V 3.9848 8.2969 125.1397 64.1454 32.7538 175.1292 21 Y 5.0530 7.2092 116.4171 56.4150 42.6987 173.9807 22 I 4.8615 8.3553 121.8977 60.0227 41.0906 174.6563 23 G 4.2542 9.3904 114.6277 44.6456 0.0000 171.9922 24 S 5.2744 8.2721 115.0385 56.7832 65.4292 173.7735 25 T 4.1738 8.2696 113.8642 62.6355 69.9810 174.1315 26 N 4.7990 8.1115 121.4778 50.6760 39.4529 172.8127 27 P 4.3579 0.0000 0.0000 65.3436 31.4860 178.5325 28 E 4.3166 8.1809 116.0161 58.3118 29.9388 178.4705 29 K 4.2442 8.3875 119.8563 58.4181 32.2153 178.2112 30 I 4.4974 7.4188 109.5118 60.3216 37.5132 175.4314 31 Q 4.3454 7.7530 120.4183 54.8822 29.9808 174.3706 32 E 3.9072 8.4997 118.3249 58.1541 29.6510 176.6001 33 N 4.9140 8.3876 120.4822 53.6450 36.5031 174.7616 34 G 3.8800 8.3547 109.2144 44.5330 0.0000 173.4519 35 P 4.3688 0.0000 0.0000 64.5220 31.6272 177.0328 36 F 4.6411 8.3452 116.9754 57.4242 39.4975 176.9681 37 R 4.3699 7.5809 123.4679 55.0289 28.2192 175.9278 38 T 4.6787 7.5472 108.8899 60.9239 70.3883 174.7911 39 Y 4.5185 9.6075 125.8303 56.4823 38.7920 175.1703 40 F 4.9017 9.4964 124.6199 58.2618 39.6367 175.1525 41 R 4.6820 9.5988 121.4785 57.6769 32.4833 175.8212 42 E 5.4036 7.9090 115.6092 55.3395 34.5178 173.9040 43 L 4.8430 8.9813 120.3326 52.9487 46.3304 176.0673 44 V 4.4959 8.0501 122.0265 61.1837 33.8839 174.1492 45 F 4.7670 9.2781 127.9128 56.5654 41.0338 174.7447 46 D 4.7722 9.0939 122.9338 52.5577 42.8312 176.0050 47 D 4.4761 8.5002 125.2880 57.6075 41.3081 179.3193 48 E 3.9083 8.3885 117.1848 59.5704 29.5012 178.3536 49 K 4.1111 8.8400 115.5574 56.4294 32.8704 176.9155 50 G 3.9769 7.8302 107.7090 46.7609 0.0000 172.4978 51 T 5.3884 7.9607 107.2128 59.8809 73.6749 173.7930 52 V 4.4110 8.5355 120.7851 61.1853 34.9542 173.5034 53 D 5.0896 8.5564 128.0744 52.7151 42.9497 175.2949 54 F 4.2940 8.8778 123.3827 56.0968 41.0956 174.5159 55 Y 4.7931 8.5352 121.3022 56.1198 40.8822 174.7818 56 F 5.4503 8.5635 118.7673 55.8799 42.5027 173.1362 57 S 5.6622 9.7640 114.8323 56.9732 66.5829 174.1062 58 V 5.2381 8.9964 122.0102 60.3821 35.3900 173.4949 59 K 4.2877 8.3802 125.5620 55.2802 33.3952 175.2876 60 R 4.7686 8.5662 127.4703 55.7421 32.8586 174.4941 61 D 4.2269 10.3182 124.0514 55.3707 40.1404 174.4179 62 G 3.8721 8.3980 102.8593 45.3880 0.0000 173.5863 63 K 4.6258 8.1878 119.6474 53.7750 35.5873 175.8039 64 W 4.7083 8.9562 125.1975 56.8705 29.8551 175.7074 65 K 4.7968 9.3076 123.3472 54.6661 35.6452 174.8964 66 N 5.1147 8.8408 121.3811 52.2729 39.6272 174.6151 67 V 4.2504 8.6152 124.2304 60.9854 34.8682 173.5530 68 H 4.7868 8.3723 125.7162 54.1173 32.4280 172.7105 69 V 4.1169 8.0901 124.7578 60.8141 34.8352 173.7038 70 K 4.6693 8.5218 128.7804 54.9567 33.3600 175.0042 71 A 4.9542 8.9697 129.9961 50.7378 21.7854 175.4774 72 T 4.9747 8.8076 118.0184 61.2020 71.3493 173.8648 73 K 3.4153 9.0922 128.9548 56.7896 32.9482 176.0721 74 Q 4.5693 9.4119 125.5166 54.0976 30.9867 176.4370 75 D 4.5026 8.8469 120.9452 57.6126 40.9271 177.5470 76 D 4.6077 8.0276 116.1799 53.1813 39.4253 177.2038 77 G 3.8966 8.5827 110.3749 45.7780 0.0000 174.1549 78 T 4.5556 7.5340 109.8774 61.1754 71.2510 173.1227 79 Y 4.9596 9.3647 118.4219 56.3584 41.9958 175.5065 80 V 5.1073 8.4455 114.2392 60.0483 35.4171 174.6988 81 A 4.7294 8.6880 122.8127 51.0920 23.1478 174.7521 82 D 5.1361 8.5489 121.5962 53.0746 42.5807 175.5357 83 Y 4.4188 9.0905 125.7456 57.9381 42.0209 174.0312 84 E 3.4314 9.6116 129.2503 57.4891 27.5830 173.0837 85 G 3.7924 7.8124 103.9102 44.0730 0.0000 171.4804 86 Q 4.9522 8.3989 119.5522 54.8136 31.2649 175.6153 87 N 5.5657 9.1554 122.0679 51.5448 43.1665 173.8029 88 V 4.6871 8.5808 122.1601 61.1018 33.9378 173.5945 89 F 4.9153 9.3901 131.4854 57.2738 40.9872 174.0352 90 K 4.8809 9.0305 127.3650 54.6228 35.0779 174.8472 91 I 4.3469 8.6321 128.8650 60.8723 36.9121 175.9710 92 V 3.9541 8.6264 128.3274 64.7011 32.3318 176.1512 93 S 4.6656 7.8311 111.7449 57.5085 65.6931 173.9346 94 L 5.1734 8.5792 128.6039 53.9550 45.3764 174.7375 95 S 4.7000 9.0075 119.6848 56.6003 66.3135 174.5020 96 R 4.1153 8.6456 119.6149 58.5904 30.2324 176.6678 97 T 4.4577 8.2184 107.8720 63.1651 71.1964 173.9469 98 H 5.8319 8.0985 114.9265 54.3272 33.1495 172.4057 99 L 5.1643 9.4663 120.1266 53.9493 45.5668 174.4226 100 V 5.1186 9.1797 126.3099 61.2782 34.6395 174.0695 101 A 5.0211 8.9247 127.5163 50.9397 23.2980 174.1174 102 H 5.2998 9.3136 119.6170 54.3252 32.7604 172.2676 103 N 5.4137 8.8983 123.3168 51.7728 42.8998 172.7735 104 I 4.7925 8.2913 124.5902 59.5013 40.4688 173.8333 105 N 5.4604 9.2720 126.3601 51.6279 41.9856 173.1481 106 V 4.9397 8.6023 125.9698 61.0716 34.0608 175.2341 107 D 5.0260 9.1268 128.8640 51.9274 40.5029 177.2537 108 K 3.6101 8.5838 118.2037 59.7082 32.1443 177.1315 109 H 4.5424 8.8625 115.2711 55.4223 29.0358 175.6608 110 G 3.9080 8.9407 108.7276 45.1469 0.0000 173.2506 111 Q 4.2715 8.0947 121.2199 55.6324 30.5484 174.1735 112 T 5.0663 8.4387 120.5990 60.7579 69.2788 173.4095 113 T 4.6718 9.0587 125.2685 61.6890 72.3611 172.5952 114 E 5.0783 8.7712 124.8319 54.5736 32.3552 175.1574 115 L 5.1683 8.8873 124.1085 53.1707 45.8745 175.5556 116 T 5.2511 9.1328 113.3052 61.0480 72.4555 173.2115 *117 E 5.0496 8.6592 118.5846 55.3289 34.9108 174.5077 118 L 5.1405 8.4063 123.6930 53.2982 45.2370 175.3717 119 F 5.4398 9.5727 124.3435 55.6707 43.5955 174.1917 120 V 5.0511 9.2627 120.6256 59.9412 34.6864 174.4492 121 K 3.8463 7.7369 123.3500 55.0678 33.4714 176.0714 122 L 4.4273 8.1759 126.6577 53.3690 42.4129 175.6794 123 N 4.6031 8.4690 121.9509 51.5275 39.8891 175.1477 124 V 4.2186 8.0983 122.3133 60.7286 33.1713 175.3038 125 E 4.2937 8.4752 127.3764 55.6606 31.5808 176.8281 126 D 4.4706 8.8060 123.4602 57.9111 40.8987 179.1011 127 E 3.9941 8.3134 117.0190 60.1399 29.2949 178.9341 128 D 4.3653 8.0692 119.0991 56.6164 40.8410 178.6459 129 L 4.0117 8.0841 119.7356 57.8956 41.6740 179.0006 130 E 4.1792 8.9088 119.5231 59.4575 29.4765 178.9522 131 K 3.8710 8.4846 118.7703 59.3815 32.0079 179.1315 132 F 4.0589 8.2296 120.9054 61.0787 39.2681 177.3536 133 W 3.8982 8.3372 118.8483 59.3245 28.7549 178.4147 134 K 3.9062 8.9244 120.3008 59.4590 31.5598 178.3844 135 L 3.8675 8.0099 120.7114 58.5913 41.9466 179.0371 136 T 3.6699 7.7329 116.0706 66.5652 68.3630 176.3610 137 E 4.1139 8.6219 119.5602 59.0968 29.5795 178.7230 138 D 4.4520 8.0875 119.3574 56.3909 40.8327 177.5939 139 K 4.4496 7.5416 117.3816 54.9610 32.5032 176.4619 140 G 3.9265 7.8288 106.9374 46.6989 0.0000 174.0436 141 I 4.3418 7.5657 119.8965 59.0225 38.8391 175.7161 142 D 4.5774 8.5100 125.0242 53.5389 41.8902 176.8883 143 K 3.9906 8.9320 125.7622 59.6635 32.1306 178.1676 144 K 4.2576 8.2903 115.6810 58.5644 32.7490 176.7843 145 N 5.0863 8.6101 118.3361 53.1548 39.1122 175.1124 146 V 4.5771 7.7726 110.0565 59.6279 35.4301 175.3479 147 V 4.1312 8.4719 123.7103 61.4275 32.5127 175.7568 148 N 4.7079 8.2985 125.0761 52.5717 38.6370 175.4395 149 F 3.9640 8.7408 127.5714 59.9235 39.1748 177.1591 150 L 3.9854 7.9563 119.8075 58.2565 41.7750 178.7606 151 E 4.0540 8.0898 117.0384 59.1461 29.7352 178.6129 152 N 4.4633 7.8196 115.9412 56.4512 38.4185 177.2375 153 E 3.9590 8.0910 118.6076 59.4716 29.6299 178.8443 154 N 4.5403 8.1229 114.9048 54.8087 39.9789 175.0279 155 H 4.9623 7.7024 116.5899 53.7035 29.8430 171.6127 156 P 4.5075 0.0000 0.0000 64.4053 32.9074 174.3325 157 H 4.2148 8.1012 113.8231 56.3737 31.2834 173.1539 *158 P 4.2054 0.0000 0.0000 62.7240 31.2936 171.9809 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 E 8.44 4.35 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 4 E 7.78 4.51 0.00 1.95 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 2.20 2.37 0.00 5 E 8.91 4.64 0.00 2.02 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 2.16 2.35 0.00 6 A 8.51 4.14 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 7 E 8.41 4.08 0.00 1.95 1.87 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 2.41 2.34 0.00 8 Q 8.44 4.36 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 9 N 8.26 5.07 0.00 2.77 2.65 0.00 0.00 6.75 6.74 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 10 L 8.60 3.83 0.00 1.74 2.13 0.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.91 4.51 0.00 3.96 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 12 E 7.66 4.14 0.00 1.96 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 2.33 2.41 0.00 13 L 7.75 4.45 0.00 1.57 1.65 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.84 4.83 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.39 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 16 P 0.00 5.12 0.00 2.15 2.43 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.99 0.00 17 W 9.02 5.55 0.00 3.32 3.40 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 18 R 9.66 5.23 0.00 1.72 1.88 0.00 3.40 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 19 T 8.79 4.31 4.10 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 0.88 0.00 0.00 20 V 8.30 3.98 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 0.21 0.00 0.00 0.84 0.00 0.00 21 Y 7.21 5.05 0.00 2.73 2.50 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 22 I 8.36 4.86 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.25 1.01 0.00 0.00 23 G 9.39 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 24 S 8.27 5.27 0.00 3.79 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 25 T 8.27 4.17 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 1.24 0.00 0.00 26 N 8.11 4.80 0.00 2.69 2.68 0.00 0.00 6.76 7.56 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 27 P 0.00 4.36 0.00 2.26 2.30 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 28 E 8.18 4.32 0.00 2.13 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 0.00 2.36 2.26 0.00 29 K 8.39 4.24 0.00 1.97 2.01 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.45 7.81 30 I 7.42 4.50 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 1.38 0.68 1.06 0.00 0.00 31 Q 7.75 4.35 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.06 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 32 E 8.50 3.91 0.00 1.96 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 2.26 2.32 0.00 33 N 8.39 4.91 0.00 2.91 2.95 0.00 0.00 7.25 7.65 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 34 G 8.35 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 0.00 0.00 0.00 35 P 0.00 4.37 0.00 1.86 2.10 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 36 F 8.35 4.64 0.00 3.27 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 37 R 7.58 4.37 0.00 1.99 2.12 0.00 3.35 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 38 T 7.55 4.68 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 0.81 0.00 0.00 39 Y 9.61 4.52 0.00 3.22 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 40 F 9.50 4.90 0.00 3.09 3.29 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 0.00 41 R 9.60 4.68 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 42 E 7.91 5.40 0.00 1.84 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 2.40 2.27 0.00 43 L 8.98 4.84 0.00 1.03 0.41 -0.38 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.05 4.50 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 1.08 0.00 0.00 0.94 0.00 0.00 45 F 9.28 4.77 0.00 3.18 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 46 D 9.09 4.77 0.00 2.70 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 47 D 8.50 4.48 0.00 2.76 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 48 E 8.39 3.91 0.00 2.15 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 2.34 2.36 0.00 49 K 8.84 4.11 0.00 1.74 1.88 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.55 7.81 50 G 7.83 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 0.00 0.00 0.00 51 T 7.96 5.39 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 1.27 0.00 0.00 52 V 8.54 4.41 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.51 0.00 0.00 53 D 8.56 5.09 0.00 2.66 2.42 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 0.00 0.00 0.00 0.00 54 F 8.88 4.29 0.00 2.70 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 55 Y 8.54 4.79 0.00 3.01 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 56 F 8.56 5.45 0.00 3.23 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 57 S 9.76 5.66 0.00 3.86 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 58 V 9.00 5.24 2.49 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 0.95 0.00 0.00 1.13 0.00 0.00 59 K 8.38 4.29 0.00 0.79 1.05 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.23 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.97 0.25 7.81 60 R 8.57 4.77 0.00 1.79 1.69 0.00 3.43 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 61 D 10.32 4.23 0.00 2.70 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 62 G 8.40 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 0.00 0.00 0.00 63 K 8.19 4.63 0.00 1.72 1.70 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 64 W 8.96 4.71 0.00 3.21 3.13 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 65 K 9.31 4.80 0.00 1.74 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.57 7.81 66 N 8.84 5.11 0.00 2.62 2.77 0.00 0.00 6.70 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 67 V 8.62 4.25 0.83 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 0.65 0.00 0.00 0.90 0.00 0.00 68 H 8.37 4.79 0.00 2.79 2.96 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.09 4.12 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 0.72 0.00 0.00 0.73 0.00 0.00 70 K 8.52 4.67 0.00 1.72 1.63 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.60 7.81 71 A 8.97 4.95 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 72 T 8.81 4.97 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 1.23 0.00 0.00 73 K 9.09 3.42 0.00 1.26 1.63 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 0.81 7.81 74 Q 9.41 4.57 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 75 D 8.85 4.50 0.00 2.64 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 76 D 8.03 4.61 0.00 2.78 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 77 G 8.58 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 0.00 0.00 0.00 78 T 7.53 4.56 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 1.29 0.00 0.00 79 Y 9.36 4.96 0.00 3.09 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 80 V 8.45 5.11 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 0.79 0.00 0.00 1.04 0.00 0.00 81 A 8.69 4.73 1.11 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 0.00 0.00 82 D 8.55 5.14 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.09 4.42 0.00 2.84 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 84 E 9.61 3.43 0.00 1.62 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 1.47 1.47 0.00 85 G 7.81 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 86 Q 8.40 4.95 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 87 N 9.16 5.57 0.00 2.83 2.77 0.00 0.00 6.32 7.42 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 88 V 8.58 4.69 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 1.04 0.00 0.00 0.97 0.00 0.00 89 F 9.39 4.92 0.00 3.11 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 90 K 9.03 4.88 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.43 7.81 91 I 8.63 4.35 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 1.02 0.00 0.00 92 V 8.63 3.95 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 0.72 0.00 0.00 0.93 0.00 0.00 93 S 7.83 4.67 0.00 3.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.58 5.17 0.00 1.67 1.50 0.98 0.80 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 95 S 9.01 4.70 0.00 4.02 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 96 R 8.65 4.12 0.00 1.79 1.99 0.00 3.20 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 97 T 8.22 4.46 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 98 H 8.10 5.83 0.00 3.48 3.51 0.00 5.44 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.47 5.16 0.00 1.80 1.87 1.12 0.69 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 0.00 100 V 9.18 5.12 2.18 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 0.94 0.00 0.00 1.06 0.00 0.00 101 A 8.92 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.31 5.30 0.00 3.07 3.05 0.00 5.55 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 0.00 103 N 8.90 5.41 0.00 2.87 2.60 0.00 0.00 6.62 7.13 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 0.00 104 I 8.29 4.79 1.84 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 1.05 0.30 0.88 0.00 0.00 105 N 9.27 5.46 0.00 3.00 2.35 0.00 0.00 6.17 7.71 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 0.00 106 V 8.60 4.94 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 0.95 0.00 0.00 0.93 0.00 0.00 107 D 9.13 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 116 T 9.13 5.25 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 1.18 0.00 0.00 *117 E 8.66 5.05 0.00 1.67 1.78 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 2.15 2.13 0.00 118 L 8.41 5.14 0.00 1.68 1.45 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.57 5.44 0.00 3.30 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.26 5.05 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 0.84 0.00 0.00 0.91 0.00 0.00 121 K 7.74 3.85 0.00 0.79 0.92 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.06 0.95 7.81 122 L 8.18 4.43 0.00 1.46 1.54 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.47 4.60 0.00 2.62 2.86 0.00 0.00 6.87 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 0.00 124 V 8.10 4.22 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 0.82 0.00 0.00 0.88 0.00 0.00 125 E 8.48 4.29 0.00 2.22 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 2.39 2.45 0.00 126 D 8.81 4.47 0.00 2.74 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 0.00 127 E 8.31 3.99 0.00 2.21 2.26 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 2.39 2.44 0.00 128 D 8.07 4.37 0.00 2.85 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 0.00 129 L 8.08 4.01 0.00 2.05 1.98 1.00 0.74 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 0.00 130 E 8.91 4.18 0.00 2.13 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 2.37 2.47 0.00 131 K 8.48 3.87 0.00 2.03 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.72 7.81 132 F 8.23 4.06 0.00 2.97 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 0.00 133 W 8.34 3.90 0.00 3.54 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.92 3.91 0.00 2.07 2.00 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 135 L 8.01 3.87 0.00 1.78 1.77 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.73 3.67 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 1.19 0.00 0.00 137 E 8.62 4.11 0.00 2.17 2.23 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 2.55 2.35 0.00 138 D 8.09 4.45 0.00 2.82 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 0.00 139 K 7.54 4.45 0.00 1.63 1.80 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.55 7.81 140 G 7.83 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 0.00 141 I 7.57 4.34 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.96 0.00 0.00 142 D 8.51 4.58 0.00 2.70 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 0.00 143 K 8.93 3.99 0.00 1.77 1.88 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.45 7.81 144 K 8.29 4.26 0.00 1.89 1.96 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.50 7.81 145 N 8.61 5.09 0.00 2.91 2.91 0.00 0.00 6.72 7.39 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 0.00 146 V 7.77 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 0.97 0.00 0.00 1.40 0.00 0.00 147 V 8.47 4.13 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 0.16 0.00 0.00 0.88 0.00 0.00 148 N 8.30 4.71 0.00 2.87 2.71 0.00 0.00 7.21 7.71 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 0.00 149 F 8.74 3.96 0.00 3.08 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 0.00 150 L 7.96 3.99 0.00 1.76 1.67 0.93 0.99 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 0.00 151 E 8.09 4.05 0.00 1.98 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 2.50 2.36 0.00 152 N 7.82 4.46 0.00 2.84 2.78 0.00 0.00 6.93 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 0.00 153 E 8.09 3.96 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 154 N 8.12 4.54 0.00 2.72 2.68 0.00 0.00 6.81 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 0.00 155 H 7.70 4.96 0.00 3.12 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.51 0.00 2.01 1.90 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 157 H 8.10 4.21 0.00 3.23 3.36 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.