NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0247 8.0549 120.3032 60.4633 32.7397 175.8134 4 P 4.1758 0.0000 0.0000 61.2065 33.2234 175.2649 5 L 3.9821 8.5273 123.3068 58.9124 41.8926 178.8925 6 Y 4.2363 8.4552 117.0058 59.6872 37.7574 177.7031 7 K 4.0359 6.8593 119.1558 58.1047 32.9567 178.9826 8 Q 3.9272 7.7840 120.5163 58.8909 28.7309 178.2035 9 I 3.8114 7.6528 113.2019 63.4663 37.8905 177.9180 10 A 4.0451 7.7641 122.4934 54.9501 18.2650 179.3145 11 S 4.6477 7.9295 113.1902 60.8656 62.4250 176.3926 12 L 4.2234 7.6372 122.0318 57.6496 41.3455 179.4823 13 I 3.7496 7.6616 119.3803 64.3633 37.1227 178.2063 14 E 3.9891 8.1943 119.4231 59.5648 29.3069 179.0446 15 D 4.4003 8.5046 119.1862 57.7674 40.9243 179.2573 16 S 4.2794 8.2226 115.3610 61.4663 62.7382 176.9362 17 I 3.9638 7.7482 123.9392 63.9017 36.6776 178.5218 18 V 3.6072 7.7880 117.9254 66.2521 31.4501 177.5782 19 D 4.5223 8.4474 117.4329 55.3986 40.7326 177.6525 20 G 4.0042 7.8731 107.0073 45.4957 0.0000 174.5829 21 T 3.9173 7.8139 116.8319 65.4143 68.2711 174.3552 22 L 4.6232 7.7346 121.4720 52.8588 43.5690 176.2411 23 S 4.4720 8.3512 119.8870 57.2126 64.0322 173.9204 24 I 3.9293 8.1648 122.7299 63.3118 37.2048 175.8754 25 D 4.6830 9.3399 122.6367 55.2205 39.3182 173.5342 26 Q 4.4744 7.8420 120.6393 54.6315 30.1824 174.9718 27 R 3.3459 8.1097 124.1618 55.8485 30.7202 176.5566 28 V 4.0531 7.5427 117.9176 59.3100 33.0262 174.2025 29 P 4.4472 0.0000 0.0000 62.9434 31.8371 177.3586 30 S 4.4400 9.4051 117.0924 57.9511 65.2889 175.4536 31 T 3.8329 8.4512 113.5031 65.2566 68.2637 176.1238 32 N 4.2927 8.0611 118.7219 56.1483 38.6052 177.0201 33 E 4.1709 7.9837 118.3186 58.5351 29.6820 179.1205 34 L 3.9326 8.2561 120.8822 57.9070 41.7864 178.5582 35 A 3.9362 7.9807 120.3757 55.2983 18.1386 179.3413 36 A 3.9458 7.8039 119.1839 54.7080 18.6861 178.3518 37 F 4.8508 7.5599 115.9747 59.5056 40.1660 176.0478 38 H 4.4723 8.1722 115.4636 54.5858 29.1114 174.5853 39 R 3.8321 8.0695 117.2889 57.5985 27.5060 174.9334 40 I 4.7208 7.3089 115.9236 59.3181 41.9418 174.7953 41 N 4.7769 8.3880 118.7612 51.0972 38.4967 174.3374 42 P 4.2238 0.0000 0.0000 66.1200 30.7802 178.4202 43 A 3.9326 7.9450 119.8653 55.4175 18.4203 179.1792 44 T 3.7891 7.8501 113.8949 66.8754 68.6218 176.1870 45 A 3.9676 8.0761 121.8052 55.5237 18.2576 179.2610 46 R 3.8622 8.2537 117.0736 59.7765 30.0510 178.3628 47 N 4.4010 8.5914 116.5965 56.2076 38.5849 177.5081 48 G 3.7656 8.7047 107.3323 47.5983 0.0000 175.5498 49 L 4.0220 8.4369 122.3736 57.7284 41.6279 179.8227 50 T 3.8678 8.2866 115.9059 66.5375 68.4075 176.1844 51 L 4.0157 8.1221 122.2097 58.4259 42.1466 179.1810 52 L 4.0390 7.8660 118.6621 57.7711 41.5581 179.6700 53 V 4.2727 8.0297 119.9457 65.5766 31.2368 177.9541 54 E 4.0020 8.5089 117.7434 59.3200 29.4566 178.7912 55 A 4.2186 7.9329 118.7856 53.0090 18.5650 178.4818 56 G 3.9971 7.9356 105.4597 45.2035 0.0000 174.7695 57 I 4.0169 7.8369 121.2453 63.3399 38.4297 176.0484 58 L 5.5185 8.0177 120.3926 52.9827 45.3767 175.3101 59 Y 5.2539 8.7765 118.9587 55.4659 41.3803 174.4317 60 K 4.9890 8.9142 119.3858 54.8288 34.7728 175.9698 61 K 4.4330 8.6404 123.5390 54.6225 33.4309 175.6340 62 R 3.8377 8.6027 123.5242 57.2986 29.9352 176.4669 63 G 4.0129 8.9309 112.5169 46.1642 0.0000 173.4627 64 I 4.4216 9.1403 119.4013 60.9964 40.5373 173.6609 65 G 3.9101 8.1795 107.6289 44.2991 0.0000 176.4122 *67 F 4.6445 8.7978 122.7528 56.5584 40.9292 173.1591 68 V 4.2312 8.1372 121.5697 62.6837 32.3161 175.7474 69 S 5.0854 9.1225 123.4260 58.0728 63.8091 175.4912 70 A 4.1811 8.9074 124.7183 55.2088 18.4842 178.4223 71 Q 4.3449 8.0539 112.8091 56.1714 29.5299 177.3163 72 A 3.9959 8.5228 122.4735 54.9140 18.3849 177.9333 73 P 4.1764 0.0000 0.0000 65.9932 31.3361 178.7070 74 A 4.0376 7.9389 118.7498 55.0505 18.3885 179.4953 75 L 3.9494 7.9925 117.6106 58.0610 41.6696 179.8716 76 I 3.7704 8.1200 120.1110 64.2476 37.0957 178.4953 77 R 3.9202 8.0184 119.7934 59.1161 29.8947 178.2385 78 E 3.9191 8.4656 119.4850 59.3792 29.6855 178.9632 79 R 3.9521 8.1337 118.1390 59.5039 30.1753 179.3301 80 R 4.0614 8.0946 117.5392 58.8958 30.0193 178.8826 81 D 4.4022 8.1764 118.8865 57.1388 40.7850 178.4253 82 A 4.0340 8.0763 121.0931 55.1167 18.3345 179.4992 83 A 3.9554 8.2410 119.2993 55.2758 18.3952 179.5909 84 F 4.1666 8.5010 118.9099 61.4272 39.4596 177.1223 85 A 4.0516 8.8931 120.4802 55.3276 18.0056 179.5517 86 A 3.9228 8.2022 118.4018 55.3661 18.4720 179.7270 87 T 3.7764 7.8686 113.6026 66.1207 68.7601 175.8593 88 Y 4.3665 7.7547 117.6644 59.0960 39.4266 178.4582 89 V 3.6077 7.4313 118.2974 65.8363 31.9337 177.4166 90 A 4.0020 8.5108 121.1542 54.9486 18.1090 177.8969 91 P 4.1805 0.0000 0.0000 65.7909 31.3311 178.1713 92 L 3.9027 7.5373 118.7525 57.9759 41.9927 179.1116 93 I 3.7007 7.8811 119.5575 64.6430 37.1030 178.2431 94 D 4.3983 8.1362 119.6993 57.3157 40.6151 178.5338 95 E 3.9978 8.5264 120.1643 59.1645 29.5556 178.6655 96 S 4.4120 8.4081 113.4963 61.6556 62.4518 176.3637 97 I 3.7666 7.9771 122.4478 64.6393 36.6528 177.8708 98 H 4.1885 8.1127 118.0742 58.8176 29.7690 176.3758 99 L 4.2409 7.9375 118.1243 53.9466 42.0220 176.5823 100 G 3.6095 7.7756 106.8534 46.5103 0.0000 173.5098 101 F 4.7914 8.0456 118.0861 55.7686 40.8473 176.9760 102 T 4.2491 8.3518 118.8098 61.4962 69.4452 175.2946 103 R 3.8969 8.6533 125.1796 59.6542 30.0632 178.6255 104 A 4.0781 8.0502 119.9768 55.2550 18.3479 179.4033 105 R 3.8871 7.9142 116.6709 59.6599 30.1528 178.6922 106 I 3.6136 7.7034 119.6271 64.5011 37.0375 178.1020 107 H 4.0927 8.3033 116.9705 58.8590 28.4580 177.7354 108 A 4.0260 8.0477 122.5853 54.9852 18.0861 179.4741 109 L 4.0440 7.9571 120.4507 57.5115 42.0971 178.9981 110 L 3.9258 8.0791 119.2622 58.1738 41.6464 179.4072 111 D 4.3028 7.9191 118.1024 57.1264 40.1804 178.7897 112 Q 3.9232 8.2431 118.9673 59.1429 28.6716 179.1093 113 V 3.6012 8.0417 119.1176 65.8050 31.5000 177.9212 114 A 3.9427 7.8711 120.5146 55.3256 18.2010 179.5081 115 E 4.2199 8.9495 119.0292 58.9792 29.2588 179.7429 116 S 4.1036 8.2382 114.0302 61.2102 63.0713 175.8713 117 R 4.1791 7.5496 120.0584 56.3757 30.1177 176.6660 118 G 4.0496 8.0448 105.3310 45.9871 0.0000 174.8185 119 L 4.2425 8.0177 120.6877 55.1520 40.0940 176.8412 120 Y 3.9875 8.5695 119.8358 58.0503 37.1994 169.3854 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 V 8.05 4.02 2.02 0.00 0.00 0.00 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 0.82 0.00 0.00 4 P 0.00 4.18 0.00 1.84 2.15 0.00 3.46 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 2.07 2.20 0.00 5 L 8.53 3.98 0.00 1.74 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.46 4.24 0.00 3.33 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 7 K 6.86 4.04 0.00 1.74 1.60 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.00 1.20 7.81 8 Q 7.78 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 9 I 7.65 3.81 1.88 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 1.60 0.70 0.91 0.00 0.00 10 A 7.76 4.05 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 11 S 7.93 4.65 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.22 0.00 1.83 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.66 3.75 2.04 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 1.53 1.10 0.92 0.00 0.00 14 E 8.19 3.99 0.00 2.22 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 2.35 2.57 0.00 15 D 8.50 4.40 0.00 2.87 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 16 S 8.22 4.28 0.00 4.05 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 17 I 7.75 3.96 2.04 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 1.41 1.35 0.94 0.00 0.00 18 V 7.79 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 19 D 8.45 4.52 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.81 3.92 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 1.22 0.00 0.00 22 L 7.73 4.62 0.00 1.67 1.56 0.92 0.96 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 23 S 8.35 4.47 0.00 3.91 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 24 I 8.16 3.93 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 1.02 0.00 0.00 25 D 9.34 4.68 0.00 2.90 2.91 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 26 Q 7.84 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 27 R 8.11 3.35 0.00 1.22 1.51 0.00 3.19 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.00 28 V 7.54 4.05 2.02 0.00 0.00 0.00 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 0.81 0.00 0.00 29 P 0.00 4.45 0.00 2.04 2.01 0.00 3.65 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 2.05 2.07 0.00 30 S 9.41 4.44 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.45 3.83 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 32 N 8.06 4.29 0.00 2.83 2.91 0.00 0.00 6.90 7.66 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 33 E 7.98 4.17 0.00 2.16 2.21 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 2.49 2.36 0.00 34 L 8.26 3.93 0.00 1.94 1.72 0.91 1.00 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 35 A 7.98 3.94 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 36 A 7.80 3.95 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 37 F 7.56 4.85 0.00 2.95 3.36 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 38 H 8.17 4.47 0.00 3.05 3.07 0.00 5.88 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 39 R 8.07 3.83 0.00 1.95 2.00 0.00 3.30 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 40 I 7.31 4.72 1.86 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 1.39 0.65 0.91 0.00 0.00 41 N 8.39 4.78 0.00 2.86 2.94 0.00 0.00 5.63 7.76 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 42 P 0.00 4.22 0.00 2.28 2.39 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 43 A 7.94 3.93 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 44 T 7.85 3.79 4.39 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 1.31 0.00 0.00 45 A 8.08 3.97 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 46 R 8.25 3.86 0.00 2.04 2.14 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 47 N 8.59 4.40 0.00 3.00 2.67 0.00 0.00 6.92 7.22 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 48 G 8.70 3.77 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 0.00 0.00 0.00 49 L 8.44 4.02 0.00 1.80 1.75 0.92 0.84 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 50 T 8.29 3.87 4.38 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 1.23 0.00 0.00 51 L 8.12 4.02 0.00 2.03 2.01 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.87 4.04 0.00 1.97 1.72 0.99 0.85 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 53 V 8.03 4.27 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 1.48 0.00 0.00 1.03 0.00 0.00 54 E 8.51 4.00 0.00 2.25 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 2.50 0.00 55 A 7.93 4.22 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 56 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.84 4.02 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.95 0.00 0.00 58 L 8.02 5.52 0.00 1.63 1.54 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.78 5.25 0.00 2.86 2.91 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 60 K 8.91 4.99 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.51 7.81 61 K 8.64 4.43 0.00 1.87 1.68 0.00 0.66 0.00 0.00 1.27 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.72 7.81 62 R 8.60 3.84 0.00 1.77 1.90 0.00 3.43 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 63 G 8.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.14 4.42 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 1.26 0.00 0.00 65 G 8.18 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 *67 F 8.80 4.64 0.00 1.57 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 68 V 8.14 4.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 69 S 9.12 5.09 0.00 4.08 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 70 A 8.91 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.05 4.34 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 72 A 8.52 4.00 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 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.18 0.00 2.18 2.15 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 74 A 7.94 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.99 3.95 0.00 1.88 1.75 0.97 0.92 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 76 I 8.12 3.77 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.92 0.00 0.00 77 R 8.02 3.92 0.00 2.05 1.92 0.00 3.41 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 78 E 8.47 3.92 0.00 2.15 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 0.00 2.32 2.36 0.00 79 R 8.13 3.95 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 80 R 8.09 4.06 0.00 1.97 2.01 0.00 3.14 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 81 D 8.18 4.40 0.00 2.89 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 82 A 8.08 4.03 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.24 3.96 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.50 4.17 0.00 3.33 3.34 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 85 A 8.89 4.05 1.47 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 0.00 0.00 86 A 8.20 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.87 3.78 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 0.25 0.00 0.00 88 Y 7.75 4.37 0.00 2.27 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 89 V 7.43 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 90 A 8.51 4.00 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 91 P 0.00 4.18 0.00 2.22 2.25 0.00 3.53 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 2.19 2.09 0.00 92 L 7.54 3.90 0.00 1.87 1.97 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.88 3.70 2.02 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 1.69 1.03 0.93 0.00 0.00 94 D 8.14 4.40 0.00 2.70 2.72 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 95 E 8.53 4.00 0.00 2.09 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 2.46 0.00 96 S 8.41 4.41 0.00 4.11 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 97 I 7.98 3.77 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.93 0.00 0.00 98 H 8.11 4.19 0.00 3.17 3.53 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.94 4.24 0.00 1.78 1.37 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.78 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.05 4.79 0.00 3.20 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 0.00 102 T 8.35 4.25 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 1.32 0.00 0.00 103 R 8.65 3.90 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 104 A 8.05 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.91 3.89 0.00 2.03 2.22 0.00 3.28 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 106 I 7.70 3.61 1.97 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 0.83 0.00 0.00 107 H 8.30 4.09 0.00 3.37 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.05 4.03 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 0.00 109 L 7.96 4.04 0.00 1.76 1.71 0.83 0.26 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 0.00 110 L 8.08 3.93 0.00 1.96 1.68 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.92 4.30 0.00 2.78 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 0.00 112 Q 8.24 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 113 V 8.04 3.60 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 0.98 0.00 0.00 0.95 0.00 0.00 114 A 7.87 3.94 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 0.00 115 E 8.95 4.22 0.00 2.19 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 2.50 2.30 0.00 116 S 8.24 4.10 0.00 4.00 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 0.00 117 R 7.55 4.18 0.00 1.77 2.13 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 118 G 8.04 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 0.00 0.00 0.00 119 L 8.02 4.24 0.00 1.71 1.60 0.88 0.73 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 0.00 120 Y 8.57 3.99 0.00 2.92 3.20 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 * Residues marked with a * may have inaccurate shift predictions.