NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4684 8.2929 117.0992 57.6537 64.4098 175.0814 22 S 4.3636 8.5267 117.1689 64.4346 61.8600 173.3433 23 R 4.2138 8.3201 125.1171 62.4109 29.6632 180.7815 24 L 4.2670 8.0322 125.1429 60.3329 40.8347 181.5882 25 D 4.6722 9.6617 121.9454 57.9430 39.7051 180.3085 26 A 4.2638 8.3206 122.8404 56.1608 18.2475 179.7685 27 E 4.0909 8.6127 118.7386 60.9345 30.2567 181.6536 28 L 4.5194 7.9780 124.0026 59.9437 41.1562 185.0000 29 K 4.3108 8.4870 126.6720 60.3369 31.7895 181.3526 30 L 4.1760 8.1051 123.6067 59.4757 40.6231 181.3481 31 A 4.3797 8.0354 119.8960 54.3976 18.5626 179.7027 32 G 3.7114 8.2043 107.1607 48.8112 0.0000 176.5954 33 E 4.1777 8.6132 124.0754 60.7418 29.4418 181.2488 *34 F 4.5616 7.6440 118.2338 61.4914 38.0601 181.3847 35 G 4.3201 7.6450 103.5062 47.6348 0.0000 174.8343 36 L 4.1662 8.1254 123.5410 56.5437 42.5448 183.6922 37 K 4.2573 8.2978 117.5373 55.1726 32.2567 181.0769 38 N 4.6499 9.2834 118.6431 53.6101 43.8776 177.9347 39 K 4.1516 8.0194 119.4893 57.1448 32.1353 182.7682 40 K 4.8083 7.4697 113.0492 54.8136 34.4812 170.9315 41 E 5.2315 7.2500 130.8808 57.4333 34.0918 181.3599 42 I 4.7201 7.8011 117.8729 59.6555 36.2169 177.1030 *43 Y 4.1834 8.1569 128.2449 62.7768 37.0270 179.8550 44 R 4.2076 8.1980 122.2041 62.2451 29.3271 184.2822 45 I 4.0583 7.9986 121.4411 66.8616 35.5974 182.5055 46 S 4.2678 8.4320 121.2468 64.4051 61.6802 178.5182 *47 F 4.2650 8.8453 124.4441 63.5187 38.1013 179.7834 48 Q 4.1987 8.3442 122.6120 60.9263 27.6925 181.2925 49 L 4.2400 8.6064 124.8680 60.9556 41.0948 181.9788 50 S 4.2941 8.4158 121.0855 64.1730 62.0639 178.9890 51 K 4.1335 8.8954 128.8196 61.4213 31.5173 180.8809 52 I 4.0163 8.1416 122.9903 65.4728 35.2102 181.1079 53 R 4.3186 8.6297 122.9637 62.8676 29.3346 181.1078 54 R 4.0154 8.1473 118.8765 59.8455 29.6027 181.4670 55 A 3.8935 9.5038 113.8370 53.4747 18.6781 182.6354 56 A 3.1132 6.2049 124.8447 51.9316 21.0819 181.0617 57 R 4.0194 5.8400 125.7549 62.1710 30.1390 179.7910 58 D 4.6326 9.1727 124.9000 58.1929 39.4073 180.8750 59 L 4.2618 7.8063 126.8409 59.8417 42.3746 182.0354 60 L 4.6867 8.2500 125.5267 57.1848 37.1516 180.1257 61 T 4.1659 7.7487 117.8601 64.1135 69.2467 178.2976 62 R 4.2643 7.7924 122.4820 56.8593 30.4360 180.2479 63 D 5.2280 7.7612 128.3378 53.0309 41.6742 180.0825 64 E 5.2984 6.9949 118.3057 57.2674 33.4056 182.1146 65 K 4.6544 8.3220 113.0255 55.4450 32.3291 173.5268 66 D 4.7330 8.1681 123.0826 53.0605 40.5375 179.3039 67 P 4.3069 0.0000 0.0000 64.9202 30.0793 180.0757 68 K 4.2076 8.5356 123.6700 60.6870 31.7591 184.9731 69 R 4.1741 8.1969 123.0985 62.5065 29.3118 180.6491 70 L 4.3622 8.0835 123.8673 60.0651 40.9615 182.8804 *71 F 4.2917 8.3617 122.3601 62.5768 38.1797 180.3163 72 E 4.3824 8.4741 119.4129 60.6346 29.2987 180.4608 73 G 3.9928 8.8374 108.1576 47.0074 0.0000 175.1028 74 N 4.3148 8.7837 126.6937 56.6639 38.6288 177.0847 75 A 4.2283 8.2889 124.9420 55.3095 18.7509 179.8574 76 L 4.0303 8.0442 123.8659 56.8529 42.0382 182.1016 77 I 3.9780 8.3167 118.3678 63.8464 35.5151 183.2105 78 R 4.5455 8.0423 121.0204 56.9538 28.8654 181.6028 79 R 4.0033 8.4566 123.9246 60.0651 29.6246 179.4978 80 L 4.2084 7.6773 118.4393 58.6885 40.0073 179.6031 81 V 4.1856 10.0251 127.8389 61.3291 28.6347 169.0238 82 R 3.3522 9.0540 118.8735 58.4455 27.4956 180.9879 83 V 3.4588 8.4843 116.8132 60.3617 30.8252 169.1077 84 G 4.2957 8.1086 107.8030 45.9939 0.0000 176.6358 85 V 3.7001 8.1990 119.1435 61.9304 29.8241 173.0238 86 L 4.4921 8.5698 119.6964 55.9775 42.4732 175.5772 87 S 4.6183 8.4489 118.6867 58.1521 70.0708 179.9089 88 E 5.1783 7.5148 119.7288 55.4148 31.2082 177.7896 89 D 4.2846 8.7427 125.8800 53.9591 43.4513 176.0123 90 K 4.1692 9.0526 120.5879 57.3334 31.9550 176.1989 91 K 3.9907 8.3279 123.3909 56.5499 29.1449 181.1648 92 K 4.0517 9.0168 127.1545 57.3613 30.2783 176.7393 93 L 4.5649 8.3479 127.0162 54.1285 41.9717 176.6340 94 D 4.2158 8.1911 123.0519 59.8589 39.5157 183.6914 *95 Y 4.3474 8.1795 122.2090 63.4386 36.9620 184.0488 96 V 3.8723 8.6669 124.3454 66.8928 31.4936 180.8237 97 L 3.9895 7.9035 121.0457 60.0200 40.7300 180.6585 98 A 4.3550 7.9604 123.1259 54.2055 18.8858 182.4479 99 L 4.4181 9.5667 120.4021 55.7452 41.4922 185.0000 100 K 3.7706 9.7472 119.9934 56.9585 32.4257 177.1558 101 V 3.4344 6.6715 114.7604 65.7364 32.5293 180.2829 102 E 4.4939 9.3581 118.7025 57.0327 30.0186 179.0819 103 D 4.7803 7.5471 116.9424 56.0637 42.5409 183.4630 *104 F 4.1407 8.5527 121.0603 60.1958 38.3472 179.8042 105 L 4.2996 8.3799 121.5494 58.3309 42.3192 182.7732 106 E 4.4019 8.9437 117.9841 55.4146 29.9671 184.7019 107 R 3.7980 9.9320 120.5505 57.1360 29.1754 179.1374 108 R 4.2482 5.8400 114.5455 56.8648 31.0786 180.4718 109 L 4.1002 8.8076 120.4464 58.7187 40.9527 180.4384 110 Q 4.1368 8.2243 118.3657 58.2991 28.3077 180.5887 111 T 4.2369 8.4558 110.8119 61.7329 70.9654 177.1860 112 Q 4.5474 5.9332 121.8435 55.4073 26.5501 180.7399 113 V 4.4609 10.1400 116.6214 62.3359 38.3026 177.3656 *114 Y 4.3291 8.0138 120.3286 60.4065 37.8847 184.3872 115 K 4.8997 7.8761 124.8244 53.9227 30.5213 180.3231 116 L 4.4055 7.8250 114.8538 55.2788 42.9120 177.9917 117 G 4.2048 8.0349 115.8891 47.5791 0.0000 176.6084 118 L 3.8771 7.6948 119.2240 56.6036 40.7000 179.6181 119 A 4.1656 7.7643 125.6428 52.1371 18.6075 179.5348 120 K 4.1398 8.5336 127.3968 55.9819 32.3061 174.7921 121 S 5.4687 8.0396 126.6986 60.5318 66.0438 185.0000 122 V 2.7368 6.9787 122.1891 60.3750 33.0048 175.1078 *123 H 3.5706 7.2649 112.1361 58.6740 29.5812 177.5850 *124 H 4.2147 8.2514 117.7071 53.5426 27.9709 177.2865 125 A 4.6469 7.5472 130.4211 53.1016 26.3000 179.8378 126 R 4.0492 8.3193 118.7643 62.3011 29.1755 182.2176 127 V 4.0192 7.6741 121.1362 66.5461 31.3065 181.4162 128 L 4.3795 7.8211 123.4728 59.4947 41.2288 181.5776 129 I 4.1269 8.1479 123.5454 64.8206 35.6611 181.3746 130 T 4.6443 9.5681 117.6111 62.9531 69.4635 180.8752 131 Q 3.7392 8.3242 124.3497 61.3945 22.2485 178.1698 132 R 3.7117 8.4189 125.2730 59.1293 29.7283 179.0894 *133 H 4.1014 9.3869 114.2348 55.3201 28.1088 174.6340 134 I 3.1650 8.4402 117.1235 61.5409 33.2122 169.2074 135 A 4.6613 8.2936 130.0096 50.2136 22.0069 177.4481 136 V 3.8237 7.9115 119.7478 60.2914 30.2580 175.0157 137 G 3.7457 9.5862 109.9046 46.8608 0.0000 169.0110 138 K 4.0447 8.4582 132.4161 55.8293 31.7601 172.4883 139 Q 3.5686 8.7798 129.8641 54.0956 28.5913 174.4230 140 I 4.2034 8.2240 122.3089 61.1176 36.2423 173.9471 141 V 4.5436 8.1009 106.6406 62.3260 33.7753 168.7524 142 N 4.8357 8.5836 124.3965 55.5461 38.1838 175.9760 143 I 3.8111 7.7649 122.1400 59.5746 35.4572 178.1608 144 P 4.7201 0.0000 0.0000 61.7126 30.7184 179.5249 145 S 4.8451 9.7519 113.3904 58.6757 65.0618 178.7280 *146 F 4.7125 7.6866 133.0504 56.9802 37.7098 177.8532 147 M 4.8036 8.4394 119.3549 55.8503 34.9145 172.8150 148 V 4.4211 7.9498 120.5447 59.9405 33.9493 176.7899 149 R 4.2733 8.7358 117.6048 57.2960 32.8376 175.5548 150 L 3.6578 8.8143 125.1514 55.0043 37.7042 170.8752 151 D 4.5527 8.2250 125.1655 56.2230 40.7920 175.6750 152 S 4.5187 7.8739 120.4709 56.4603 61.6875 176.3009 153 E 5.9163 7.7606 132.5242 56.8698 32.0680 179.4655 154 K 4.4849 8.4073 123.9672 56.0300 31.0483 182.3365 *155 H 4.7781 7.7881 124.1116 55.2399 30.2431 178.1137 156 I 3.9458 8.4942 114.1051 62.2409 36.0386 171.9573 157 D 4.6123 8.6346 122.2439 53.6690 38.3230 178.4796 *158 F 4.0244 8.5277 121.3909 57.2153 36.6267 179.4022 159 A 3.8906 7.9534 124.4792 53.6524 17.6827 179.3454 *168 R 4.3054 8.0027 114.2766 55.9119 31.6770 178.3379 169 P 4.7270 0.0000 0.0000 61.4303 33.7634 176.4885 170 G 3.8844 9.0170 109.5418 47.6752 0.0000 174.6561 171 R 4.0729 8.5787 126.9581 59.0554 30.1116 177.2004 172 V 3.8098 7.8574 114.9988 62.7373 31.5369 177.8368 173 A 4.6143 7.8452 124.1407 51.7930 19.1238 175.5457 174 R 4.9892 7.6780 131.1372 58.0418 31.6749 174.2726 175 R 4.5647 7.7057 113.0421 58.3996 32.2239 181.4679 176 N 4.7630 8.0636 113.5834 52.5086 37.9149 178.2217 177 A 4.3761 7.8307 120.5570 52.7241 17.4400 179.8156 178 A 4.1671 7.8878 126.0242 54.9971 19.0591 179.9280 179 R 4.1380 7.9954 116.0547 57.7982 29.4896 184.4587 180 K 4.3864 7.8883 115.9859 56.1249 31.1735 183.0215 181 A 4.5596 7.5592 122.3755 54.1986 19.6587 178.8958 182 E 4.4025 8.3977 115.0259 57.3798 29.1854 181.6594 183 A 4.3273 8.3769 128.1429 53.7523 16.2865 178.5758 184 S 5.0134 7.9967 118.0505 56.2655 66.2367 174.3228 185 G 3.8004 8.5343 105.4421 47.6482 0.0000 172.7355 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 21 S 8.29 4.47 0.00 3.67 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 22 S 8.53 4.36 0.00 3.81 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 23 R 8.32 4.21 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 24 L 8.03 4.27 0.00 1.64 1.68 0.92 1.03 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 25 D 9.66 4.67 0.00 2.68 2.71 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 26 A 8.32 4.26 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 27 E 8.61 4.09 0.00 2.05 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 2.27 2.22 0.00 28 L 7.98 4.52 0.00 1.68 1.64 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.49 4.31 0.00 1.74 1.87 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.38 7.81 30 L 8.11 4.18 0.00 1.64 1.72 0.92 0.82 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 31 A 8.04 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 33 E 8.61 4.18 0.00 1.97 1.98 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 2.25 2.20 0.00 *34 F 7.64 4.56 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.65 4.32 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 0.00 36 L 8.13 4.17 0.00 1.70 1.61 0.92 0.61 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 37 K 8.30 4.26 0.00 1.75 1.41 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.21 7.81 38 N 9.28 4.65 0.00 2.68 2.66 0.00 0.00 6.44 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 39 K 8.02 4.15 0.00 1.76 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.03 7.81 40 K 7.47 4.81 0.00 1.72 1.59 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.98 7.81 41 E 7.25 5.23 0.00 1.97 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 1.98 1.65 0.00 42 I 7.80 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.91 0.00 0.00 *43 Y 8.16 4.18 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.21 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 45 I 8.00 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 46 S 8.43 4.27 0.00 3.72 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 *47 F 8.85 4.27 0.00 2.26 2.36 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 48 Q 8.34 4.20 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 49 L 8.61 4.24 0.00 1.64 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.42 4.29 0.00 3.73 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 51 K 8.90 4.13 0.00 1.73 1.89 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.37 7.81 52 I 8.14 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 53 R 8.63 4.32 0.00 1.82 1.99 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 54 R 8.15 4.02 0.00 1.89 1.81 0.00 3.27 0.00 0.00 3.23 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 55 A 9.50 3.89 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 56 A 6.20 3.11 1.43 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 0.00 0.00 57 R 5.84 4.02 0.00 1.95 1.90 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 58 D 9.17 4.63 0.00 2.64 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 59 L 7.81 4.26 0.00 1.73 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.25 4.69 0.00 1.69 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.75 4.17 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 62 R 7.79 4.26 0.00 1.82 1.84 0.00 3.35 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 1.52 1.18 0.00 63 D 7.76 5.23 0.00 2.72 2.59 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 64 E 6.99 5.30 0.00 2.04 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 1.99 1.61 0.00 65 K 8.32 4.65 0.00 1.71 1.58 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.96 7.81 66 D 8.17 4.73 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.31 0.00 2.15 2.15 0.00 3.68 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 1.92 1.56 0.00 68 K 8.54 4.21 0.00 1.71 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 69 R 8.20 4.17 0.00 1.90 1.93 0.00 3.24 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.00 70 L 8.08 4.36 0.00 1.64 1.65 0.92 1.09 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 *71 F 8.36 4.29 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 4.38 0.00 1.96 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 2.25 2.21 0.00 73 G 8.84 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 74 N 8.78 4.31 0.00 2.83 2.78 0.00 0.00 6.58 7.46 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 75 A 8.29 4.23 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 76 L 8.04 4.03 0.00 1.65 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.32 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.91 0.00 0.00 78 R 8.04 4.55 0.00 1.80 1.83 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 79 R 8.46 4.00 0.00 1.70 1.97 0.00 3.23 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 80 L 7.68 4.21 0.00 1.66 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 V 10.03 4.19 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 1.17 0.00 0.00 0.93 0.00 0.00 82 R 9.05 3.35 0.00 1.81 1.85 0.00 3.35 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.00 83 V 8.48 3.46 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 0.66 0.00 0.00 0.93 0.00 0.00 84 G 8.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.20 3.70 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 0.69 0.00 0.00 0.93 0.00 0.00 86 L 8.57 4.49 0.00 1.61 1.28 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.45 4.62 0.00 3.56 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 88 E 7.51 5.18 0.00 1.94 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 0.00 1.97 1.68 0.00 89 D 8.74 4.28 0.00 2.70 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 90 K 9.05 4.17 0.00 1.95 1.75 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.99 7.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 100 K 9.75 3.77 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 0.99 7.81 101 V 6.67 3.43 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 0.63 0.00 0.00 0.93 0.00 0.00 102 E 9.36 4.49 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 103 D 7.55 4.78 0.00 2.60 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 *104 F 8.55 4.14 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.38 4.30 0.00 1.65 1.65 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.94 4.40 0.00 1.83 1.22 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 2.24 2.13 0.00 107 R 9.93 3.80 0.00 1.82 1.71 0.00 3.33 0.00 0.00 3.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.00 108 R 5.84 4.25 0.00 1.75 1.89 0.00 3.26 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 109 L 8.81 4.10 0.00 1.65 1.65 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.22 4.14 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.88 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 111 T 8.46 4.24 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 0.00 112 Q 5.93 4.55 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 113 V 10.14 4.46 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 0.55 0.00 0.00 0.93 0.00 0.00 *114 Y 8.01 4.33 0.00 2.23 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 0.00 0.00 0.00 0.00 115 K 7.88 4.90 0.00 1.77 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 116 L 7.82 4.41 0.00 1.61 1.49 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.69 3.88 0.00 1.68 1.62 0.92 0.73 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 0.00 119 A 7.76 4.17 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 0.00 120 K 8.53 4.14 0.00 1.81 1.75 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.26 7.81 121 S 8.04 5.47 0.00 3.94 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 0.00 122 V 6.98 2.74 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 0.66 0.00 0.00 0.93 0.00 0.00 *123 H 7.26 3.57 0.00 2.84 2.94 0.00 7.18 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 H 8.25 4.21 0.00 2.85 3.07 0.00 7.21 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.55 4.65 1.29 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 0.00 0.00 126 R 8.32 4.05 0.00 1.85 1.97 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 127 V 7.67 4.02 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 0.71 0.00 0.00 0.93 0.00 0.00 128 L 7.82 4.38 0.00 1.74 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.15 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 130 T 9.57 4.64 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 0.00 131 Q 8.32 3.74 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 5.83 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 132 R 8.42 3.71 0.00 1.95 1.89 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 *133 H 9.39 4.10 0.00 2.93 2.95 0.00 7.33 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 0.00 134 I 8.44 3.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.91 0.00 0.00 135 A 8.29 4.66 1.26 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 0.00 0.00 136 V 7.91 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 137 G 9.59 3.75 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 0.00 0.00 0.00 138 K 8.46 4.04 0.00 1.97 1.76 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 0.99 7.81 139 Q 8.78 3.57 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 140 I 8.22 4.20 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 141 V 8.10 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 142 N 8.58 4.84 0.00 2.73 2.80 0.00 0.00 6.88 7.72 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 0.00 143 I 7.76 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.91 0.00 0.00 144 P 0.00 4.72 0.00 2.08 1.96 0.00 3.75 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 1.94 1.59 0.00 145 S 9.75 4.85 0.00 3.59 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 F 7.69 4.71 0.00 2.29 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 0.00 0.00 0.00 147 M 8.44 4.80 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.09 0.00 148 V 7.95 4.42 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 0.89 0.00 0.00 0.93 0.00 0.00 149 R 8.74 4.27 0.00 1.76 1.67 0.00 3.38 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.00 150 L 8.81 3.66 0.00 1.78 1.56 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.22 4.55 0.00 2.60 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 0.00 152 S 7.87 4.52 0.00 3.62 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 0.00 153 E 7.76 5.92 0.00 1.92 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 2.07 1.62 0.00 154 K 8.41 4.48 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *155 H 7.79 4.78 0.00 2.83 2.99 0.00 7.14 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.49 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.91 0.00 0.00 157 D 8.63 4.61 0.00 2.86 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 *158 F 8.53 4.02 0.00 2.47 2.35 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 0.00 159 A 7.95 3.89 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 *168 R 8.00 4.31 0.00 1.87 1.90 0.00 3.34 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 169 P 0.00 4.73 0.00 2.04 1.80 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 1.68 1.40 0.00 170 G 9.02 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 0.00 171 R 8.58 4.07 0.00 1.75 1.92 0.00 3.28 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 172 V 7.86 3.81 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 0.88 0.00 0.00 0.93 0.00 0.00 173 A 7.85 4.61 1.23 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 0.00 174 R 7.68 4.99 0.00 1.85 1.83 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 175 R 7.71 4.56 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 176 N 8.06 4.76 0.00 2.74 2.72 0.00 0.00 6.63 7.46 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 0.00 177 A 7.83 4.38 1.29 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 0.00 0.00 178 A 7.89 4.17 1.29 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 0.00 0.00 179 R 8.00 4.14 0.00 1.75 1.93 0.00 3.26 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 180 K 7.89 4.39 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.26 7.81 181 A 7.56 4.56 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 0.00 182 E 8.40 4.40 0.00 1.98 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 2.26 2.13 0.00 183 A 8.38 4.33 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 0.00 184 S 8.00 5.01 0.00 3.59 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 8.53 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.