NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1165 8.1127 120.8590 56.7971 29.9295 175.6776 3 V 3.1709 8.2318 121.9974 61.4272 30.8937 171.0692 4 K 4.3268 8.8027 119.1149 57.6310 33.5106 176.5365 5 M 4.3606 7.6905 119.1590 56.6493 32.7505 175.9099 6 H 4.9011 8.3241 115.5964 55.6403 31.6234 174.0725 7 V 4.2981 7.9599 119.7765 60.6846 30.3680 179.1413 8 K 4.1961 8.5448 132.6317 57.7061 32.3757 174.4199 9 K 4.2518 8.1192 117.1142 56.5424 34.0860 177.0079 10 G 3.8540 8.7206 106.3331 46.2183 0.0000 173.0028 11 D 4.3728 7.5495 129.2383 53.7609 42.8569 175.8311 12 T 4.6127 8.5128 117.3938 63.4729 69.0740 174.7025 13 V 4.8507 8.8408 125.7242 61.0293 35.8416 173.6199 14 L 5.5239 9.2036 125.7253 52.5035 46.0290 175.3019 15 V 4.5888 8.2369 121.5847 61.7220 34.3846 175.1896 16 A 5.5381 7.9234 133.4102 53.0753 21.8032 176.7645 17 S 5.0533 7.7951 124.0050 59.2757 62.4867 175.3120 18 G 3.8551 8.9496 106.3898 45.6065 0.0000 173.0926 19 K 3.7804 9.0336 124.1746 58.1992 33.1686 176.1884 20 Y 4.4748 7.7830 112.8829 58.0973 40.2334 173.3416 21 K 3.8098 8.5465 123.2934 57.9340 31.8090 173.4056 22 G 3.9516 8.7386 120.5788 45.1029 0.0000 171.8225 23 R 4.7887 7.7636 127.4460 56.0904 33.5891 173.3770 24 V 4.2808 8.2943 122.3963 62.1713 32.7632 175.4268 25 G 4.1906 9.1631 114.3595 44.2768 0.0000 173.8821 26 K 4.6724 8.4000 123.5374 55.5181 33.3333 176.3627 27 V 4.0608 8.5561 116.4695 63.0994 31.7274 176.6946 28 K 4.4146 8.4560 123.4662 56.0273 32.7503 176.9380 29 E 3.5864 8.1633 112.5296 57.0379 25.9970 174.1839 30 V 3.5699 7.8986 121.3114 62.6264 32.1125 174.7175 31 L 3.9553 8.1997 127.8157 55.1179 42.0357 175.1847 32 P 4.7207 0.0000 0.0000 62.2150 32.8073 176.9721 33 K 3.6541 7.6120 118.1148 60.8874 32.3889 177.2410 34 K 4.0218 7.7322 120.9643 57.8307 32.8006 176.1285 35 Y 3.6471 8.1350 118.7392 58.9019 36.9591 167.2097 36 A 4.8563 7.5546 120.5366 50.2929 24.3322 177.0260 37 V 4.0300 11.1300 113.0215 61.0543 30.7646 177.4673 38 I 4.5642 10.0409 135.0000 63.0771 36.8846 176.6778 39 V 3.2534 7.3609 118.8660 63.7020 30.8316 172.7504 40 E 4.7929 8.9039 109.9381 56.6436 33.8329 175.4656 41 G 2.9370 7.9590 111.4596 46.6106 0.0000 176.6816 42 V 3.2184 7.5456 118.5215 62.7381 32.6437 175.0859 43 N 5.4916 8.6248 120.6113 53.2357 40.8627 173.3833 44 I 3.6478 6.7009 119.1664 58.3130 39.3572 174.5615 45 V 4.4831 8.2203 122.1204 60.9570 33.7434 175.0883 46 K 4.8721 8.4905 126.3544 55.2506 35.5021 175.0110 47 K 3.5367 8.0118 111.6942 54.7272 32.4109 176.7330 48 A 3.9123 7.4604 122.1706 52.9743 19.1643 178.7839 49 V 4.1317 8.2057 119.9621 61.7124 33.9773 176.8367 50 R 4.2761 8.0061 112.9437 56.1607 28.8189 176.1656 51 V 3.7508 8.1120 119.7314 65.7885 32.0962 177.1102 52 S 4.5541 7.4091 112.2671 55.9836 62.7361 171.7414 53 P 4.1687 0.0000 0.0000 63.1347 30.1292 176.3634 54 K 3.8538 7.8459 123.9133 56.6352 32.9122 174.3596 55 Y 3.3851 8.4413 122.6291 58.7861 39.1771 169.3222 56 P 4.2263 0.0000 0.0000 61.2775 33.9272 175.3271 57 Q 4.2828 8.6360 128.1300 56.6718 28.8827 174.5742 58 G 3.8352 7.8038 107.8197 45.8294 0.0000 173.6894 59 G 4.3023 7.5850 107.6640 43.8363 0.0000 172.5525 60 F 5.4526 8.5462 120.0369 57.5687 42.1407 176.7516 61 I 3.8230 8.0202 119.9818 62.1087 37.4823 176.6378 62 E 3.9117 7.9667 118.5524 55.5426 29.0975 172.2384 63 K 4.9381 7.7991 116.3453 54.9731 36.0256 175.4603 64 E 4.6662 8.8942 118.4955 56.1646 29.8331 176.9630 65 A 4.3286 8.6015 121.5008 51.5404 20.2317 177.8740 66 P 3.4645 0.0000 0.0000 64.6871 32.5865 172.5677 67 L 3.6537 7.7899 124.2311 54.5021 43.1023 173.6316 68 H 4.0697 8.8247 124.5295 56.8163 30.5136 174.3861 69 A 4.6467 7.4669 125.7574 51.9715 18.7290 177.7286 70 S 4.5218 7.7558 114.1372 58.8888 64.8243 174.2685 71 K 4.3271 8.0559 116.7512 56.6099 32.1861 176.5358 72 V 4.6445 7.3315 112.3790 60.3427 33.3904 175.5630 73 R 4.6679 9.0022 121.9366 54.7606 34.3489 174.0056 74 P 4.3918 0.0000 0.0000 63.4790 31.3701 178.2940 75 I 4.1697 9.6008 109.7715 61.1578 39.3521 171.3199 76 C 4.7160 7.8089 122.2338 59.3175 35.3308 172.6573 77 P 4.6617 0.0000 0.0000 60.6569 29.7173 175.7883 78 A 4.7695 6.6622 129.7798 52.1914 19.1307 179.0838 79 C 4.7140 8.1026 125.2064 59.6438 33.4150 172.9721 80 G 3.5569 8.3040 107.8051 47.0254 0.0000 169.7905 81 K 3.9086 7.8934 128.2589 53.8560 33.7741 173.8795 82 P 4.4754 0.0000 0.0000 63.6539 32.6667 174.7995 83 T 4.9696 8.1401 116.5188 62.7652 71.8158 173.6652 84 R 4.6104 7.7771 116.4619 56.5241 34.7241 174.1171 85 V 4.7320 8.1874 117.5605 62.0403 34.8599 176.8373 86 R 4.6240 7.8254 124.8797 56.1961 31.3946 174.7227 87 K 5.3443 9.3793 115.9372 57.8716 38.4898 177.0947 88 K 3.8762 8.8913 115.1493 55.8622 29.8640 175.3561 89 F 3.7419 8.5157 119.2642 58.2396 37.0864 174.6479 90 L 4.9766 7.1724 128.8821 55.2801 41.7691 173.2493 91 E 4.9099 7.6175 121.4205 56.0640 33.5952 175.3409 92 N 4.7167 8.6872 118.1581 53.6640 42.5517 174.7899 93 G 4.2785 8.4336 111.3703 44.2046 0.0000 172.0225 94 K 5.0712 8.7784 124.3408 57.2365 33.8291 176.1527 95 K 5.0036 8.4503 120.4181 55.0538 36.1966 175.9424 96 I 4.5390 8.0059 119.4542 59.9557 38.2873 175.8594 97 R 3.9633 8.4702 118.3793 55.5893 29.1297 176.7555 98 V 3.3824 8.6344 126.6114 63.1651 30.7020 170.5519 99 C 4.5525 7.2286 125.7811 59.2624 35.7229 177.2745 100 A 4.0712 9.3874 127.4553 52.8268 20.8978 176.9326 101 K 3.5964 7.8057 119.7337 57.4264 33.1974 175.0137 *102 C 4.3630 8.3663 115.6911 58.1806 28.5244 169.3275 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.11 4.12 0.00 1.82 1.91 0.00 3.44 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 3 V 8.23 3.17 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 0.78 0.00 0.00 0.92 0.00 0.00 4 K 8.80 4.33 0.00 1.85 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.38 7.81 5 M 7.69 4.36 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 6 H 8.32 4.90 0.00 3.45 3.60 0.00 5.53 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 4.30 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 0.75 0.00 0.00 0.90 0.00 0.00 8 K 8.54 4.20 0.00 1.68 1.77 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.12 4.25 0.00 1.79 1.72 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 10 G 8.72 3.85 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 0.00 0.00 0.00 11 D 7.55 4.37 0.00 2.85 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 12 T 8.51 4.61 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 13 V 8.84 4.85 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 1.03 0.00 0.00 0.95 0.00 0.00 14 L 9.20 5.52 0.00 1.73 1.63 0.99 0.68 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 15 V 8.24 4.59 2.38 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 0.96 0.00 0.00 1.09 0.00 0.00 16 A 7.92 5.54 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 17 S 7.80 5.05 0.00 4.05 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 18 G 8.95 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 19 K 9.03 3.78 0.00 1.70 1.89 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.72 1.26 7.81 20 Y 7.78 4.47 0.00 3.20 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 21 K 8.55 3.81 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 G 8.74 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 0.00 0.00 0.00 23 R 7.76 4.79 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 24 V 8.29 4.28 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 0.76 0.00 0.00 0.94 0.00 0.00 25 G 9.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.40 4.67 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 V 8.56 4.06 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 1.23 0.00 0.00 0.97 0.00 0.00 28 K 8.46 4.41 0.00 1.91 1.84 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 29 E 8.16 3.59 0.00 2.01 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 2.24 2.33 0.00 30 V 7.90 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 0.86 0.00 0.00 0.96 0.00 0.00 31 L 8.20 3.96 0.00 1.88 1.50 0.95 0.77 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 32 P 0.00 4.72 0.00 2.22 2.26 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 33 K 7.61 3.65 0.00 1.73 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.51 7.81 34 K 7.73 4.02 0.00 1.79 1.87 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.44 7.81 35 Y 8.14 3.65 0.00 3.10 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 36 A 7.55 4.86 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 37 V 11.13 4.03 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 0.65 0.00 0.00 1.05 0.00 0.00 38 I 10.04 4.56 2.25 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.91 0.00 0.00 39 V 7.36 3.25 1.99 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 0.73 0.00 0.00 0.87 0.00 0.00 40 E 8.90 4.79 0.00 1.91 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 2.12 2.15 0.00 41 G 7.96 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 0.00 0.00 0.00 42 V 7.55 3.22 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 1.38 0.00 0.00 0.64 0.00 0.00 43 N 8.62 5.49 0.00 2.83 2.72 0.00 0.00 7.63 7.32 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 44 I 6.70 3.65 1.90 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 1.36 0.51 0.95 0.00 0.00 45 V 8.22 4.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.07 0.00 0.00 46 K 8.49 4.87 0.00 1.81 1.78 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.34 7.81 47 K 8.01 3.54 0.00 1.46 1.27 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 0.82 7.81 48 A 7.46 3.91 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 0.00 0.00 0.00 0.00 0.00 49 V 8.21 4.13 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 0.85 0.00 0.00 0.91 0.00 0.00 50 R 8.01 4.28 0.00 1.89 2.11 0.00 3.15 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 51 V 8.11 3.75 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 0.79 0.00 0.00 0.90 0.00 0.00 52 S 7.41 4.55 0.00 3.91 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 53 P 0.00 4.17 0.00 2.00 2.13 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 54 K 7.85 3.85 0.00 1.52 1.17 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 55 Y 8.44 3.39 0.00 3.12 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 56 P 0.00 4.23 0.00 2.23 2.11 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 57 Q 8.64 4.28 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 58 G 7.80 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 0.00 0.00 0.00 59 G 7.58 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 60 F 8.55 5.45 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.02 3.82 1.92 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 1.41 0.68 0.94 0.00 0.00 62 E 7.97 3.91 0.00 2.29 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 2.30 2.35 0.00 63 K 7.80 4.94 0.00 1.75 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 E 8.89 4.67 0.00 1.90 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 2.29 2.32 0.00 65 A 8.60 4.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.46 0.00 2.22 2.20 0.00 3.73 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 2.09 0.00 67 L 7.79 3.65 0.00 1.82 1.58 0.90 1.26 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 68 H 8.82 4.07 0.00 3.15 3.15 0.00 5.75 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 69 A 7.47 4.65 0.79 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 70 S 7.76 4.52 0.00 3.75 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 71 K 8.06 4.33 0.00 1.78 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.41 7.81 72 V 7.33 4.64 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 0.77 0.00 0.00 0.88 0.00 0.00 73 R 9.00 4.67 0.00 1.66 1.76 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 P 0.00 4.39 0.00 2.07 1.78 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 75 I 9.60 4.17 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 1.36 0.50 0.91 0.00 0.00 76 C 7.81 4.72 0.00 2.91 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 P 0.00 4.66 0.00 2.08 2.02 0.00 3.83 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 2.03 2.09 0.00 78 A 6.66 4.77 1.07 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 79 C 8.10 4.71 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.30 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.89 3.91 0.00 1.90 1.83 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.45 7.81 82 P 0.00 4.48 0.00 2.11 2.00 0.00 3.60 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 2.12 2.15 0.00 83 T 8.14 4.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 84 R 7.78 4.61 0.00 2.00 1.82 0.00 3.14 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 85 V 8.19 4.73 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 0.71 0.00 0.00 0.94 0.00 0.00 86 R 7.83 4.62 0.00 1.91 0.97 0.00 3.38 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 87 K 9.38 5.34 0.00 1.93 1.99 0.00 2.16 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.69 7.81 88 K 8.89 3.88 0.00 1.97 2.06 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.50 7.81 89 F 8.52 3.74 0.00 3.12 3.27 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 90 L 7.17 4.98 0.00 1.80 1.77 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.62 4.91 0.00 1.84 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 2.23 2.40 0.00 92 N 8.69 4.72 0.00 2.53 2.69 0.00 0.00 6.46 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 93 G 8.43 4.28 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 0.00 94 K 8.78 5.07 0.00 1.85 2.04 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.34 7.81 95 K 8.45 5.00 0.00 1.69 1.71 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.46 7.81 96 I 8.01 4.54 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 0.99 1.75 0.98 0.00 0.00 97 R 8.47 3.96 0.00 1.84 2.04 0.00 3.15 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 98 V 8.63 3.38 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 99 C 7.23 4.55 0.00 2.96 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 0.00 0.00 0.00 0.00 100 A 9.39 4.07 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 0.00 101 K 7.81 3.60 0.00 1.87 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *102 C 8.37 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.