NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.6387 8.3649 119.5528 52.7926 41.5177 176.0127 11 K 3.9636 7.7816 121.0562 55.3942 33.1536 175.3686 12 P 4.6527 0.0000 0.0000 63.2973 33.4234 175.1386 13 V 5.0369 8.5377 121.6675 62.0193 35.5666 172.6723 14 A 5.0622 9.0893 126.7042 51.2762 23.3703 175.3228 15 H 4.8378 9.3906 120.7208 55.6434 32.8731 172.8328 16 V 5.0393 8.9690 119.5913 59.6958 35.4281 175.3392 17 V 5.4967 8.6363 113.9668 59.5725 36.0047 175.2709 18 A 4.2638 8.4968 124.7735 51.8636 19.5158 177.1137 19 N 4.5225 8.8280 120.5129 51.8183 39.4240 174.1217 20 P 2.9700 0.0000 0.0000 63.4645 31.6152 176.7634 21 Q 4.1741 7.8823 117.0142 55.8810 29.6689 175.9740 22 A 4.3726 7.3587 125.3773 51.0049 17.9250 176.3120 23 E 4.3017 8.3740 116.9750 57.1607 30.6595 176.3544 24 G 4.0204 8.9734 109.9649 45.4084 0.0000 173.2078 25 Q 4.4751 7.5811 115.8844 53.8190 32.4816 175.2956 26 L 4.1589 8.1811 122.9959 53.3279 41.4821 173.9065 27 Q 4.6003 7.7795 125.4971 53.7100 31.1531 173.9764 28 W 5.3517 9.1976 126.9179 55.8968 31.0402 175.8334 29 L 5.0130 9.4583 122.8594 53.2256 44.4993 177.1162 30 N 4.6977 8.9910 119.0185 53.9146 39.1870 175.4335 31 R 4.3804 7.7617 118.4647 56.2868 30.2464 175.8788 32 R 4.6838 7.4322 115.5453 53.6594 34.3190 175.4539 33 A 4.2141 8.4506 123.1544 53.8156 18.6832 177.4128 34 N 4.2801 8.9925 118.7014 53.9769 35.9343 173.6997 35 A 5.0667 7.6584 118.6556 50.3522 21.9471 176.9316 36 L 4.6883 9.2414 121.2836 53.5029 46.0116 174.9206 37 L 5.1261 8.6905 125.0136 52.9536 44.4702 175.6467 38 A 4.6572 8.6598 125.2394 50.3959 22.9803 175.2305 39 N 4.3805 9.9778 115.1237 55.0829 36.1473 175.4246 40 G 4.0794 8.5528 106.3579 45.4725 0.0000 175.2912 41 V 3.9498 7.7160 119.8838 63.0772 32.1210 175.0204 42 E 4.8363 8.7756 125.6582 54.3590 33.7553 174.4329 43 L 5.1048 8.3786 122.8295 53.4320 44.4873 175.8066 44 R 4.5361 8.8887 126.2155 56.1403 33.2083 174.4143 45 D 4.6581 9.6624 124.5275 55.6655 38.4117 173.7403 46 N 4.5914 8.7052 112.8463 54.0401 37.6830 172.9055 47 Q 5.0484 7.7324 114.3844 53.8400 32.8438 174.6420 48 L 4.5883 8.6992 122.8485 54.4179 43.3544 175.9122 49 V 4.7164 8.6170 123.9242 61.1904 33.8924 174.7586 50 V 4.2738 8.5118 122.4050 60.0270 32.3351 175.6831 51 P 4.6435 0.0000 0.0000 64.5551 32.0351 176.1937 52 S 4.6697 7.2284 110.8931 56.6686 65.7692 174.4376 53 E 4.3160 8.9546 120.6509 56.2311 30.0442 176.4608 54 G 3.9701 8.1951 107.3387 46.7094 0.0000 170.3316 55 L 5.2773 7.6203 121.4478 53.8595 44.0608 174.9081 56 Y 5.1240 9.3662 123.5984 55.9270 41.9549 174.4252 57 L 4.7307 8.8636 127.2049 55.1939 43.5028 175.5757 58 I 5.2830 9.4006 127.4542 59.8812 40.7869 174.1444 59 Y 5.7052 8.7670 123.1919 56.3312 41.8173 173.6495 60 S 5.1822 9.6375 114.3259 57.6372 67.1706 172.7267 61 Q 4.6922 8.6178 121.4129 54.4071 32.3683 173.9934 62 V 4.4005 8.3846 118.7841 59.2592 35.5907 174.2077 63 L 4.6855 7.7860 126.8059 53.6256 43.5846 175.1024 64 F 5.2654 8.7258 125.3396 56.2978 41.3551 175.0908 65 K 4.0997 9.1912 123.3403 54.7144 35.2323 175.3840 66 G 3.4141 5.6895 112.7671 44.1930 0.0000 171.6172 67 Q 4.5116 8.5702 119.7306 54.7745 29.2587 176.8561 68 G 4.0058 8.5640 113.7834 45.1035 0.0000 171.6689 69 C 4.9587 8.2960 115.6666 54.0299 40.5831 172.3404 70 P 4.2475 0.0000 0.0000 64.7043 31.5545 177.2845 71 S 4.6694 7.5736 111.0101 56.4432 65.4197 173.4041 72 T 4.3137 8.1682 112.9788 62.2114 69.0207 174.7758 73 H 4.6691 8.3308 119.1673 55.5055 29.1588 175.3917 74 V 3.5899 7.5163 121.2326 63.0622 31.6735 174.1250 75 L 4.7610 8.3364 128.2648 53.2607 44.7678 175.0243 76 L 4.7672 8.8755 126.9697 53.0221 44.2243 175.6687 77 T 5.1589 9.5485 113.5845 60.2230 72.4145 172.3954 78 H 5.6818 9.2278 122.6451 55.0408 33.7593 172.1000 79 T 5.0764 9.1271 114.4985 60.1407 72.8235 172.5096 80 I 4.9725 8.8225 124.1732 59.5922 40.3451 174.8545 81 S 5.0067 9.0396 120.5146 56.5342 67.2531 172.5368 82 R 5.0231 8.8124 120.6334 54.5734 32.9967 174.4415 83 I 4.8518 8.8834 125.9243 59.5212 40.3939 174.3411 84 A 4.8857 8.4164 128.8120 49.7560 20.2600 178.0430 85 V 3.4923 8.5758 121.1127 66.0399 31.7026 177.3543 86 S 4.3574 8.0640 114.3615 60.7009 62.8949 174.4127 *87 Y 4.7069 7.4324 118.2851 55.1013 37.5804 180.8856 88 Q 4.3166 8.2330 119.1815 57.0733 29.2320 177.3805 89 T 3.9607 7.9037 116.2569 63.2767 68.9645 173.9302 90 K 4.5277 8.5039 127.2690 55.6818 32.9696 175.9863 91 V 4.4156 8.3194 128.0559 59.4839 33.7884 174.6903 92 N 4.5102 8.8330 124.6922 54.0175 38.9625 174.0163 93 L 4.2457 8.8037 126.6780 56.2372 42.9596 177.0761 94 L 5.0946 7.5126 117.1307 53.1653 46.1159 175.5986 95 S 5.1936 8.5544 114.8649 57.4133 66.0624 173.0161 96 A 4.8510 9.1091 122.2038 50.7194 22.9361 175.0768 97 I 5.0521 8.3204 119.4377 59.4798 40.9366 175.2742 98 K 4.5272 9.2806 124.6349 54.8392 36.4361 175.7486 99 S 5.0730 8.7433 120.4456 55.3293 62.8301 172.3154 100 P 4.0837 0.0000 0.0000 63.4802 31.3899 177.4553 101 C 4.5115 7.3316 116.6482 55.1327 40.6774 174.1370 102 Q 3.8061 8.4544 126.7737 57.9586 29.9372 178.0162 103 R 4.3357 7.8330 110.8705 56.8487 30.9058 181.2924 *111 A 4.1887 8.8033 119.8523 53.0725 19.7403 177.5826 112 K 4.7967 7.6925 124.8976 52.3441 35.1913 174.0661 113 P 4.6679 0.0000 0.0000 62.7308 32.2938 175.6780 114 W 5.0071 8.2153 121.0164 55.4521 30.6223 174.6680 115 Y 5.1929 8.8269 118.2916 56.6441 40.7188 175.6004 116 E 4.8477 9.8522 123.0154 54.0705 32.5112 172.4987 117 P 4.6940 0.0000 0.0000 62.5441 32.7610 175.8037 118 I 4.6458 8.6403 123.3566 59.7840 40.1474 173.9317 119 Y 5.3188 8.8962 124.1038 56.2270 40.5896 175.1332 120 L 5.0213 9.0954 123.0316 53.2247 45.8521 175.8147 121 G 4.5504 8.4258 107.5499 45.6630 0.0000 172.2732 122 G 4.1554 8.6519 109.2934 45.7322 0.0000 172.0481 123 V 4.9364 7.5437 118.8825 61.0334 33.9063 174.6582 124 F 5.0106 9.4285 126.4359 55.5158 43.2002 174.1975 125 Q 4.8231 8.9875 123.8163 55.9794 29.3269 174.8605 126 L 5.0697 9.5389 126.7227 53.0866 45.6208 175.5702 127 E 4.9823 9.6086 120.5654 53.9256 32.8795 175.6720 128 K 3.8473 8.6135 122.4159 58.6157 32.3324 177.1697 129 G 3.9675 9.2125 115.0857 44.9555 0.0000 173.2334 130 D 4.6789 7.9593 120.0769 54.9183 42.3844 175.6444 131 R 5.0401 8.9341 120.5245 54.4352 33.2642 174.6843 132 L 5.2034 9.1378 124.2452 53.1623 44.2344 175.5596 133 S 5.2468 9.1559 120.0821 56.6294 65.8165 173.0664 134 A 4.7835 8.4101 124.7262 50.2000 20.7746 175.0442 135 E 5.0251 9.5986 121.7315 54.8301 34.2212 174.8844 136 I 5.7500 8.4836 113.5052 58.4433 40.6773 174.6009 137 N 4.6541 8.4599 117.6875 53.3581 38.5468 175.8033 138 R 4.6995 7.7379 118.2300 53.4644 30.5726 173.9862 139 P 4.3282 0.0000 0.0000 64.8682 31.9698 179.1427 140 D 4.2717 7.9344 117.7632 55.6261 39.6761 176.3978 141 Y 4.7193 7.9134 116.7130 57.7553 38.5167 175.1223 142 L 3.9205 7.3796 122.9907 54.7665 42.4820 175.8237 143 D 4.5298 8.6517 126.5001 52.5543 41.2004 175.7105 144 F 5.0362 7.4454 125.0131 56.1496 38.5326 177.0242 145 A 4.2457 8.4048 126.3194 55.5800 18.5420 178.6064 146 E 4.8356 7.8103 112.8953 54.2677 32.3521 176.1557 147 S 4.2926 8.3634 117.2691 59.8458 63.4440 175.1155 148 G 4.1240 9.0946 110.9787 45.5657 0.0000 173.9833 149 Q 4.5171 8.0572 117.9697 56.5741 30.7701 175.3560 150 V 4.8401 7.9226 118.9927 61.2211 34.5455 173.8639 151 Y 5.5994 8.8144 125.2276 56.4255 42.2704 173.5838 152 F 5.0784 9.0014 121.8739 57.0859 43.0105 173.2528 153 G 3.9596 8.3003 112.4174 44.9303 0.0000 171.3785 154 I 5.3464 8.4371 112.6463 59.2708 41.7751 174.4670 155 I 4.9038 9.0357 123.8461 59.4400 40.9300 174.6158 156 A 3.4746 8.9245 132.9803 52.1465 18.8754 178.0202 *157 L 3.9877 8.5137 121.9367 54.4477 41.7250 174.3321 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 10 D 8.36 4.64 0.00 2.71 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 11 K 7.78 3.96 0.00 1.80 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 P 0.00 4.65 0.00 2.33 2.10 0.00 3.55 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 2.23 2.29 0.00 13 V 8.54 5.04 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 0.98 0.00 0.00 1.00 0.00 0.00 14 A 9.09 5.06 1.02 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 0.00 0.00 15 H 9.39 4.84 0.00 3.26 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.97 5.04 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 0.69 0.00 0.00 0.59 0.00 0.00 17 V 8.64 5.50 2.27 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 0.88 0.00 0.00 1.04 0.00 0.00 18 A 8.50 4.26 1.09 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 0.00 0.00 19 N 8.83 4.52 0.00 2.70 2.54 0.00 0.00 7.10 7.34 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 20 P 0.00 2.97 0.00 1.95 1.92 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 21 Q 7.88 4.17 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 22 A 7.36 4.37 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 23 E 8.37 4.30 0.00 2.00 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 2.23 1.87 0.00 24 G 8.97 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 0.00 0.00 0.00 25 Q 7.58 4.48 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 26 L 8.18 4.16 0.00 1.36 1.39 -0.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.78 4.60 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 28 W 9.20 5.35 0.00 3.31 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 29 L 9.46 5.01 0.00 1.58 1.55 0.89 0.55 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 30 N 8.99 4.70 0.00 2.83 2.95 0.00 0.00 6.15 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 31 R 7.76 4.38 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 32 R 7.43 4.68 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 33 A 8.45 4.21 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 34 N 8.99 4.28 0.00 2.91 2.95 0.00 0.00 6.90 7.35 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 35 A 7.66 5.07 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 36 L 9.24 4.69 0.00 1.70 1.49 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.69 5.13 0.00 1.49 1.53 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.66 4.66 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 39 N 9.98 4.38 0.00 3.01 3.03 0.00 0.00 7.18 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 40 G 8.55 4.08 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 0.00 0.00 0.00 41 V 7.72 3.95 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 0.76 0.00 0.00 1.07 0.00 0.00 42 E 8.78 4.84 0.00 1.90 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 2.20 2.38 0.00 43 L 8.38 5.10 0.00 1.58 1.54 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.89 4.54 0.00 1.83 1.70 0.00 3.30 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 45 D 9.66 4.66 0.00 2.87 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 46 N 8.71 4.59 0.00 2.92 3.06 0.00 0.00 7.01 7.08 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 47 Q 7.73 5.05 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 48 L 8.70 4.59 0.00 1.34 1.33 -0.30 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.62 4.72 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 0.95 0.00 0.00 0.92 0.00 0.00 50 V 8.51 4.27 1.55 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 0.36 0.00 0.00 0.88 0.00 0.00 51 P 0.00 4.64 0.00 2.21 2.34 0.00 3.87 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 2.07 2.00 0.00 52 S 7.23 4.67 0.00 4.04 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 53 E 8.95 4.32 0.00 2.16 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 0.00 2.32 2.36 0.00 54 G 8.20 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 55 L 7.62 5.28 0.00 1.78 1.49 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.37 5.12 0.00 2.94 2.87 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 57 L 8.86 4.73 0.00 1.82 1.69 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.40 5.28 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 1.12 0.00 0.00 59 Y 8.77 5.71 0.00 3.24 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 60 S 9.64 5.18 0.00 3.95 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 61 Q 8.62 4.69 0.00 1.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 62 V 8.38 4.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.51 0.00 0.00 63 L 7.79 4.69 0.00 1.82 1.48 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.73 5.27 0.00 3.40 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 65 K 9.19 4.10 0.00 1.11 1.18 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.53 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.36 0.21 7.81 66 G 5.69 3.41 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 0.00 67 Q 8.57 4.51 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.77 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 68 G 8.56 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 69 C 8.30 4.96 0.00 2.92 2.95 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 70 P 0.00 4.25 0.00 2.22 2.23 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 71 S 7.57 4.67 0.00 3.81 3.73 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 72 T 8.17 4.31 4.08 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 1.14 0.00 0.00 73 H 8.33 4.67 0.00 3.11 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.52 3.59 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 0.74 0.00 0.00 0.95 0.00 0.00 75 L 8.34 4.76 0.00 1.56 1.44 0.86 0.95 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 76 L 8.88 4.77 0.00 1.10 0.37 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.55 5.16 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 1.19 0.00 0.00 78 H 9.23 5.68 0.00 3.40 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.13 5.08 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 1.21 0.00 0.00 80 I 8.82 4.97 1.76 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 0.84 0.53 0.86 0.00 0.00 81 S 9.04 5.01 0.00 3.82 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 82 R 8.81 5.02 0.00 1.73 1.67 0.00 2.96 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 83 I 8.88 4.85 1.86 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 1.29 0.67 0.90 0.00 0.00 84 A 8.42 4.89 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 85 V 8.58 3.49 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 0.79 0.00 0.00 0.95 0.00 0.00 86 S 8.06 4.36 0.00 3.87 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 *87 Y 7.43 4.71 0.00 2.17 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 0.00 0.00 0.00 0.00 88 Q 8.23 4.32 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 89 T 7.90 3.96 4.23 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 1.21 0.00 0.00 90 K 8.50 4.53 0.00 1.76 1.72 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 91 V 8.32 4.42 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 0.72 0.00 0.00 0.92 0.00 0.00 92 N 8.83 4.51 0.00 2.73 2.74 0.00 0.00 7.16 7.78 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 93 L 8.80 4.25 0.00 1.20 0.47 0.35 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.51 5.09 0.00 1.54 1.54 1.16 1.04 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 95 S 8.55 5.19 0.00 3.82 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 0.00 96 A 9.11 4.85 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 97 I 8.32 5.05 1.86 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 1.33 0.72 0.87 0.00 0.00 98 K 9.28 4.53 0.00 1.54 1.48 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.41 7.81 99 S 8.74 5.07 0.00 3.60 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 0.00 100 P 0.00 4.08 0.00 0.49 1.19 0.00 3.11 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.70 0.00 101 C 7.33 4.51 0.00 2.67 2.90 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 0.00 102 Q 8.45 3.81 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 103 R 7.83 4.34 0.00 1.76 1.48 0.00 3.30 0.00 0.00 3.23 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 *111 A 8.80 4.19 1.30 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 0.00 112 K 7.69 4.80 0.00 1.45 1.68 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 0.98 7.81 113 P 0.00 4.67 0.00 1.84 1.91 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 114 W 8.22 5.01 0.00 3.46 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 0.00 115 Y 8.83 5.19 0.00 2.87 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 0.00 116 E 9.85 4.85 0.00 2.10 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 2.51 2.31 0.00 117 P 0.00 4.69 0.00 1.71 1.94 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 118 I 8.64 4.65 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 1.07 0.00 0.00 119 Y 8.90 5.32 0.00 2.87 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 0.00 0.00 120 L 9.10 5.02 0.00 1.61 1.58 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.43 4.55 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 0.00 0.00 0.00 122 G 8.65 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 0.00 0.00 0.00 0.00 123 V 7.54 4.94 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 0.80 0.00 0.00 0.90 0.00 0.00 124 F 9.43 5.01 0.00 3.10 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 0.00 125 Q 8.99 4.82 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 126 L 9.54 5.07 0.00 1.54 1.50 0.42 0.71 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 0.00 127 E 9.61 4.98 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 2.26 2.38 0.00 128 K 8.61 3.85 0.00 1.73 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.68 7.81 129 G 9.21 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 0.00 130 D 7.96 4.68 0.00 2.55 2.54 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 0.00 131 R 8.93 5.04 0.00 1.70 1.96 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 132 L 9.14 5.20 0.00 1.57 1.77 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.16 5.25 0.00 3.72 3.74 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 0.00 134 A 8.41 4.78 -0.02 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 0.00 0.00 135 E 9.60 5.03 0.00 1.85 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 2.23 0.00 136 I 8.48 5.75 2.21 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 1.01 1.85 0.95 0.00 0.00 137 N 8.46 4.65 0.00 2.75 3.01 0.00 0.00 6.73 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 0.00 138 R 7.74 4.70 0.00 2.02 2.04 0.00 3.33 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 139 P 0.00 4.33 0.00 2.10 2.28 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 140 D 7.93 4.27 0.00 2.53 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 0.00 141 Y 7.91 4.72 0.00 3.50 3.19 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 0.00 142 L 7.38 3.92 0.00 1.41 1.26 0.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.65 4.53 0.00 2.42 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 0.00 144 F 7.45 5.04 0.00 2.97 3.04 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 0.00 0.00 0.00 145 A 8.40 4.25 1.42 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 0.00 0.00 146 E 7.81 4.84 0.00 2.18 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 2.26 2.27 0.00 147 S 8.36 4.29 0.00 3.90 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 0.00 148 G 9.09 4.12 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 0.00 0.00 0.00 149 Q 8.06 4.52 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 150 V 7.92 4.84 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 0.96 0.00 0.00 0.88 0.00 0.00 151 Y 8.81 5.60 0.00 3.10 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 0.00 152 F 9.00 5.08 0.00 1.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.96 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 0.00 154 I 8.44 5.35 1.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.86 0.61 0.00 0.00 155 I 9.04 4.90 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.93 0.00 0.00 156 A 8.92 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 8.51 3.99 0.00 1.37 1.44 0.90 0.92 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 * Residues marked with a * may have inaccurate shift predictions.