NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.1552 8.1233 122.4561 51.1641 21.6045 176.0195 24 F 4.8837 8.2364 115.1530 55.3109 39.7947 172.8622 25 I 4.4888 8.5211 127.0184 60.3885 41.4078 176.6541 26 G 3.8527 8.9513 111.6522 45.9896 0.0000 175.4768 27 V 3.4380 7.7497 123.5164 65.9513 31.6832 177.4772 28 D 4.7628 7.8768 116.4314 52.8959 40.0677 180.4245 29 S 4.4438 7.6687 116.1987 58.6596 64.7027 175.0379 30 A 3.9774 8.3584 122.9405 55.2068 18.2207 179.5098 31 A 3.2177 7.2587 118.8603 55.0552 18.1673 179.9589 32 G 3.8860 7.7127 105.2425 47.1008 0.0000 175.6223 33 N 4.3182 7.8197 118.4814 56.4431 38.5520 177.5438 34 V 3.7717 7.3068 119.2099 65.8572 31.6203 178.1400 35 V 3.6274 7.6255 117.5364 66.0652 31.4326 178.1294 36 K 4.0324 8.3055 118.3418 59.6244 31.8271 179.3556 37 Q 4.0551 8.4729 118.6036 58.8313 28.6254 178.5388 38 F 4.3538 8.6888 121.9881 61.7845 39.4739 176.6384 39 H 3.9942 8.6831 115.8331 59.0481 28.3611 177.6833 40 A 3.9846 7.9483 120.6272 55.0763 18.4207 179.2022 41 A 4.1012 8.4132 119.7357 55.2944 18.2158 179.9326 42 L 3.9978 7.6064 116.6970 57.7640 41.7021 179.5079 43 Q 4.2236 7.6357 114.2219 56.2916 28.6885 176.8521 *45 G 3.6676 7.9511 107.4163 45.5876 0.0000 174.6584 46 N 4.7029 8.2396 120.3273 51.3913 38.9873 173.0993 47 E 3.9747 8.5408 128.1697 58.9812 29.8494 177.9972 48 A 4.0285 8.0597 120.2818 55.3732 18.5352 179.5753 49 I 3.7460 8.1343 118.3520 64.2568 37.0334 178.7551 50 V 3.8946 7.8021 118.7475 66.3364 31.1918 178.3444 51 R 4.0188 8.2068 116.7388 59.3510 29.9683 178.5139 52 Q 4.1271 8.2620 118.7022 59.2819 29.2945 178.1994 53 S 4.3065 8.3164 116.0190 59.4270 63.1027 173.9611 54 L 4.7783 6.9834 120.8367 52.5884 43.2570 176.4302 55 A 4.1272 8.7424 125.5676 51.7207 19.2449 178.5442 56 A 4.0398 8.7497 123.7590 54.8784 18.5163 179.0027 57 N 5.0461 7.8367 111.1310 52.3011 37.9400 175.2349 58 V 3.7835 7.3455 118.3370 63.3921 32.1205 174.8631 59 Q 4.7426 8.7083 124.5197 54.6929 31.0741 174.0451 60 I 4.7118 9.0304 127.1509 59.6608 40.5394 173.8817 61 Y 5.2089 9.0171 125.5390 56.4717 39.8524 174.5903 62 E 5.0132 9.4875 124.9035 55.5511 33.9216 175.2230 63 G 4.0631 9.9014 114.8217 46.7948 0.0000 174.3193 64 G 3.8404 8.6764 107.5466 45.5344 0.0000 174.6684 65 K 4.6321 8.1399 121.7009 52.1924 34.8648 180.0942 66 V 5.1149 8.2492 121.8493 59.2422 33.6860 174.8505 67 E 4.8912 9.0335 122.9684 54.9006 31.6742 176.6764 68 R 4.6029 8.9285 120.4344 55.9773 31.2598 176.2812 69 S 4.7904 7.5258 112.4473 55.8103 66.9298 174.6965 70 L 4.0370 8.7612 124.8684 58.8192 41.6707 179.4051 71 T 3.8887 7.9437 115.0031 66.5904 68.2167 175.7867 72 E 3.9252 7.8818 119.5632 59.5280 29.8556 177.6539 73 Y 4.4671 8.1120 119.1487 61.0976 38.6192 178.2495 74 A 3.7717 8.2578 120.2202 55.2368 18.5216 179.0403 75 N 4.5701 8.0273 116.3307 56.4691 38.9738 175.6951 *76 H 4.7077 7.7899 114.7592 56.2231 30.8879 181.2557 77 H 4.2715 8.0071 118.4548 56.0913 29.3655 177.2048 *79 L 4.1566 8.1134 118.4049 54.2503 43.6007 178.2198 80 A 4.1412 7.8822 121.0412 55.5000 18.4840 179.8263 81 D 4.3011 8.3499 111.9856 55.3538 40.5244 178.1818 *83 A 4.2362 8.0943 124.4542 52.4591 20.4625 179.2092 84 Y 3.0076 8.1318 115.9712 60.4467 38.9603 177.5896 85 L 3.8724 8.1331 119.2657 56.5724 42.1974 178.9531 86 K 3.6903 7.5671 119.9340 59.3120 32.3472 178.3027 87 G 4.2178 7.7480 105.2098 46.0059 0.0000 172.4171 88 L 5.2690 7.8334 118.0040 52.7235 45.9509 177.5878 89 T 4.4529 8.8115 112.5898 60.2326 71.0029 173.4491 90 I 4.6358 8.3469 126.5502 59.9955 39.3153 175.2114 91 T 4.4862 8.8627 125.9911 60.9485 70.0533 172.8403 92 P 4.6651 0.0000 0.0000 62.7477 31.3497 176.2588 93 K 4.7175 9.2423 123.9579 57.6952 34.2095 176.4453 94 E 3.7727 7.6622 115.2223 55.3822 33.1862 174.1775 95 H 5.1193 8.6819 120.0016 55.7868 33.8167 172.2504 96 Q 5.1025 9.3612 125.4389 54.1008 32.1660 174.5495 97 I 4.9401 8.7433 124.4744 59.7586 39.9947 175.0403 98 T 4.5902 8.8829 123.7195 61.6984 71.4445 172.9794 99 I 4.7817 8.3931 126.7977 59.8954 39.6271 175.5827 100 T 4.4437 9.1067 124.3144 62.1460 70.6592 175.4406 101 G 3.9141 8.1799 119.2360 47.2132 0.0000 172.2630 102 D 4.7691 8.7866 124.0291 53.6438 40.9948 174.6918 103 I 5.2619 7.9706 120.4150 59.4996 40.3476 174.3468 104 A 5.1429 9.5297 128.6061 50.0975 21.9843 174.8738 105 I 4.7541 8.7450 123.1692 59.5392 40.0485 174.5093 106 S 5.2463 9.0450 123.0807 56.6233 64.6001 172.6740 107 T 5.2930 9.0669 117.9486 59.9368 71.1220 173.1436 108 S 5.1349 9.2423 120.2715 56.6832 66.7484 173.3590 109 I 4.8797 8.6142 121.6638 59.8475 40.3345 174.8050 110 S 5.1574 9.0378 121.6767 56.9979 67.7454 172.4010 111 H 5.0944 9.2978 122.5752 54.9833 31.3197 173.4148 112 A 5.1681 9.0231 128.6779 50.5421 21.2416 175.5485 113 Q 4.8132 9.6204 121.0190 52.6134 32.9461 175.2422 114 G 4.0595 7.7180 111.2587 45.8097 0.0000 171.0720 115 E 5.0838 7.7620 120.8509 55.3826 32.9383 174.4087 116 Y 4.6682 8.8602 120.5636 57.6870 42.2677 175.0616 117 K 3.2314 8.9372 126.4971 57.5269 29.6881 175.7170 118 G 3.8507 8.1862 101.9629 45.7138 0.0000 173.1215 119 K 4.5156 7.7513 121.1289 53.9285 34.1719 175.2971 120 S 4.8195 8.6003 121.0608 58.3595 63.4734 172.9472 121 I 4.5666 8.8168 126.7791 59.7691 40.2701 174.6329 122 D 5.1931 8.7201 125.7956 52.9312 42.5759 174.3631 123 S 4.4776 9.2125 129.1268 58.1779 70.0800 177.6051 *125 T 4.4899 8.4914 112.4893 61.3399 70.3818 170.0579 *127 E 4.7541 8.3967 120.3661 56.8568 31.2991 174.9353 128 T 5.0678 8.7686 123.2803 61.7817 71.4143 173.0570 129 L 5.0978 9.1404 126.5012 52.7928 45.5520 175.4889 130 V 4.7367 8.4316 122.4716 61.2078 33.7873 174.4228 131 L 5.3967 9.0549 127.4146 53.0422 45.5478 175.4420 132 I 5.1044 8.8760 122.6984 59.4052 40.8550 174.3806 133 K 3.7033 8.1481 128.3224 54.9948 32.7471 176.7823 134 Q 4.1075 8.8228 126.6267 55.0290 29.5837 176.9988 135 A 3.9093 8.4011 122.7827 55.4559 18.3941 178.5888 136 D 4.4351 7.8737 111.9836 53.9588 39.5548 177.2121 137 G 3.8380 7.9550 108.8102 45.2280 0.0000 173.9479 138 R 4.2539 7.9289 120.0152 55.6690 31.3396 175.6568 139 W 5.0118 8.8332 123.5798 55.8102 30.4821 175.8965 140 K 4.8669 8.9801 123.1259 54.5449 35.8846 175.4082 141 I 4.4758 8.7770 125.8856 61.3382 37.8585 176.5010 142 T 4.6523 9.1884 116.7393 62.0952 71.5148 173.6393 143 H 5.1493 7.7254 121.7942 54.5978 33.7306 171.9975 144 V 4.3084 8.0513 124.8234 61.0536 34.6588 173.4133 145 H 5.1724 8.7701 127.2945 54.2764 32.4036 171.9121 146 W 5.5128 9.1038 126.2860 55.0444 31.4895 176.3763 147 S 4.2423 8.5903 117.1099 58.8907 62.2602 173.9023 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 23 A 8.12 4.16 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 24 F 8.24 4.88 0.00 3.12 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 25 I 8.52 4.49 1.85 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 1.24 0.78 0.90 0.00 0.00 26 G 8.95 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 27 V 7.75 3.44 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 0.96 0.00 0.00 0.99 0.00 0.00 28 D 7.88 4.76 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.44 0.00 3.91 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 30 A 8.36 3.98 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.26 3.22 0.16 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 32 G 7.71 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.82 4.32 0.00 3.10 2.91 0.00 0.00 6.51 7.01 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 34 V 7.31 3.77 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 1.14 0.00 0.00 1.07 0.00 0.00 35 V 7.63 3.63 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 0.95 0.00 0.00 0.96 0.00 0.00 36 K 8.31 4.03 0.00 2.02 1.88 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.62 7.81 37 Q 8.47 4.06 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 38 F 8.69 4.35 0.00 3.10 3.32 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 39 H 8.68 3.99 0.00 3.32 3.32 0.00 5.69 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 40 A 7.95 3.98 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 41 A 8.41 4.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.00 0.00 1.58 1.59 0.54 1.14 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 43 Q 7.64 4.22 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 *45 G 7.95 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.24 4.70 0.00 2.75 2.75 0.00 0.00 6.90 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 47 E 8.54 3.97 0.00 2.09 1.95 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 2.41 2.41 0.00 48 A 8.06 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 49 I 8.13 3.75 1.94 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 1.46 0.90 1.03 0.00 0.00 50 V 7.80 3.89 2.37 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 1.42 0.00 0.00 1.08 0.00 0.00 51 R 8.21 4.02 0.00 2.01 2.03 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 52 Q 8.26 4.13 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 53 S 8.32 4.31 0.00 4.12 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 54 L 6.98 4.78 0.00 1.59 1.51 1.08 0.23 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 55 A 8.74 4.13 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 56 A 8.75 4.04 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 57 N 7.84 5.05 0.00 2.82 2.89 0.00 0.00 6.01 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 58 V 7.35 3.78 2.17 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 0.62 0.00 0.00 0.77 0.00 0.00 59 Q 8.71 4.74 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 60 I 9.03 4.71 1.78 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.19 0.76 0.00 0.00 61 Y 9.02 5.21 0.00 2.75 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 62 E 9.49 5.01 0.00 2.42 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 0.00 2.32 2.63 0.00 63 G 9.90 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.68 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 65 K 8.14 4.63 0.00 1.63 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.20 7.81 66 V 8.25 5.11 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 0.93 0.00 0.00 1.14 0.00 0.00 67 E 9.03 4.89 0.00 2.17 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 0.00 2.44 2.35 0.00 68 R 8.93 4.60 0.00 1.80 1.94 0.00 3.21 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 69 S 7.53 4.79 0.00 4.16 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 70 L 8.76 4.04 0.00 1.97 1.85 1.06 0.96 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 71 T 7.94 3.89 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 1.24 0.00 0.00 72 E 7.88 3.93 0.00 2.05 2.20 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 2.41 2.38 0.00 73 Y 8.11 4.47 0.00 3.15 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 74 A 8.26 3.77 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 75 N 8.03 4.57 0.00 2.67 2.89 0.00 0.00 6.66 9.22 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 *76 H 7.79 4.71 0.00 2.89 2.95 0.00 7.22 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.01 4.27 0.00 3.35 3.45 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 8.11 4.16 0.00 1.81 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.88 4.14 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 81 D 8.35 4.30 0.00 2.71 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 *83 A 8.09 4.24 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 0.00 0.00 84 Y 8.13 3.01 0.00 2.26 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 85 L 8.13 3.87 0.00 1.63 1.57 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.57 3.69 0.00 1.91 1.84 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.46 1.29 7.81 87 G 7.75 4.22 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 0.00 88 L 7.83 5.27 0.00 1.32 1.37 0.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.81 4.45 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 1.16 0.00 0.00 90 I 8.35 4.64 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.86 0.00 0.00 91 T 8.86 4.49 4.27 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 1.25 0.00 0.00 92 P 0.00 4.67 0.00 2.16 2.26 0.00 3.73 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 93 K 9.24 4.72 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.52 7.81 94 E 7.66 3.77 0.00 1.81 1.72 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 2.16 2.18 0.00 95 H 8.68 5.12 0.00 3.23 3.32 0.00 5.54 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.36 5.10 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 97 I 8.74 4.94 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.71 0.00 0.00 98 T 8.88 4.59 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 1.20 0.00 0.00 99 I 8.39 4.78 1.88 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 1.10 0.00 0.00 100 T 9.11 4.44 4.27 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 1.23 0.00 0.00 101 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 0.00 102 D 8.79 4.77 0.00 2.63 2.43 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 0.00 103 I 7.97 5.26 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 1.20 0.96 0.95 0.00 0.00 104 A 9.53 5.14 0.74 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 0.00 0.00 105 I 8.74 4.75 1.85 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 1.10 1.05 0.89 0.00 0.00 106 S 9.05 5.25 0.00 3.85 3.70 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 0.00 107 T 9.07 5.29 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 1.20 0.00 0.00 108 S 9.24 5.13 0.00 3.85 3.60 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 0.00 109 I 8.61 4.88 1.84 0.00 0.00 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 1.22 0.68 0.97 0.00 0.00 110 S 9.04 5.16 0.00 3.72 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 0.00 111 H 9.30 5.09 0.00 3.15 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.02 5.17 1.21 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 0.00 0.00 0.00 113 Q 9.62 4.81 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.13 1.89 0.00 114 G 7.72 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.76 5.08 0.00 2.40 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 2.20 2.12 0.00 116 Y 8.86 4.67 0.00 2.85 2.89 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 0.00 0.00 0.00 117 K 8.94 3.23 0.00 1.60 1.62 0.00 1.75 0.00 0.00 1.45 0.00 0.00 2.48 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.75 7.81 118 G 8.19 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 0.00 119 K 7.75 4.52 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.36 7.81 120 S 8.60 4.82 0.00 3.93 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 0.00 121 I 8.82 4.57 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 1.23 0.78 0.94 0.00 0.00 122 D 8.72 5.19 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 4.48 0.00 3.94 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 *125 T 8.49 4.49 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 1.23 0.00 0.00 *127 E 8.40 4.75 0.00 2.43 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 0.00 2.37 2.50 0.00 128 T 8.77 5.07 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 1.20 0.00 0.00 129 L 9.14 5.10 0.00 1.44 1.38 0.97 0.47 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 0.00 130 V 8.43 4.74 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 0.89 0.00 0.00 131 L 9.05 5.40 0.00 1.76 1.82 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.88 5.10 1.85 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 1.14 0.87 0.83 0.00 0.00 133 K 8.15 3.70 0.00 0.79 0.86 0.00 1.33 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 0.21 7.81 134 Q 8.82 4.11 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 135 A 8.40 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 0.00 136 D 7.87 4.44 0.00 2.75 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 0.00 137 G 7.96 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 0.00 138 R 7.93 4.25 0.00 1.94 1.86 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 139 W 8.83 5.01 0.00 3.15 3.11 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 0.00 140 K 8.98 4.87 0.00 1.62 1.62 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.50 7.81 141 I 8.78 4.48 1.50 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.42 0.58 0.00 0.00 142 T 9.19 4.65 4.18 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 1.23 0.00 0.00 143 H 7.73 5.15 0.00 3.04 2.98 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.05 4.31 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 -0.96 0.00 0.00 0.35 0.00 0.00 145 H 8.77 5.17 0.00 3.09 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.10 5.51 0.00 3.39 2.88 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 0.00 147 S 8.59 4.24 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.