NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6061 8.2227 120.5293 53.7768 43.3943 177.0131 5 L 3.8386 7.9567 121.5188 57.7072 42.0484 177.1370 6 G 3.5980 8.2452 105.4208 47.6649 0.0000 175.0560 7 R 3.8433 7.8331 120.3759 59.3160 30.2253 178.3910 8 L 3.9823 7.9116 118.7989 57.6839 41.5879 179.3401 9 L 3.8938 8.2004 120.5303 57.9085 41.9581 178.9034 10 K 3.8960 7.9769 119.5376 59.5300 32.0918 178.7472 11 I 3.6363 7.7874 119.7038 64.3533 36.8517 178.1775 12 A 3.9414 7.9036 120.2295 55.2685 18.2871 179.2858 13 S 4.1072 7.8807 110.2173 61.7285 62.7898 175.8992 14 N 4.5344 8.4336 119.3847 56.0487 38.1836 177.8138 15 Q 4.1126 8.1826 116.5488 56.8462 28.5067 178.4139 *17 S 4.2686 8.0015 118.2930 59.0100 65.1911 176.2543 18 T 3.8846 8.0297 116.7819 66.8110 68.2552 176.7216 19 R 4.0881 8.0029 119.7066 59.5237 30.1859 179.1517 20 F 4.6526 8.3631 117.0158 60.8928 38.9607 177.3806 21 D 4.4637 8.6199 118.6990 57.3283 40.4144 178.8192 22 I 3.7238 7.4976 118.9636 64.2896 37.2973 178.0316 23 F 4.2042 8.1865 120.9113 61.2896 39.2049 177.1166 24 A 3.7117 8.0571 120.6541 54.7965 18.2221 179.7091 25 K 4.0179 8.0832 117.3276 59.8566 32.3306 179.3365 26 K 3.6545 7.2976 119.2369 58.4410 31.7922 176.8873 27 Y 4.5676 7.1117 115.4577 57.4527 38.6518 174.9877 28 D 4.4135 7.7456 116.0464 55.7294 39.0475 173.8468 29 L 5.0099 7.6485 115.9972 52.9420 45.2766 176.9994 30 T 4.3108 8.6257 112.0339 60.6487 70.0302 175.1324 31 G 4.1703 9.2408 111.8123 49.4601 0.0000 175.1426 32 T 4.0478 8.1570 116.9542 66.4708 68.7595 177.8183 33 Q 3.8263 8.0510 119.2923 56.4114 28.4156 178.7055 *35 T 4.3916 7.9906 110.5180 61.8316 70.9517 176.0943 36 I 3.7890 7.7024 123.1310 64.2309 36.9601 178.3245 37 I 3.7164 7.9195 120.7518 64.2349 36.8938 177.8874 38 D 4.3344 8.1432 118.4048 57.5182 40.9105 177.3723 39 Y 4.2319 8.0924 118.4729 61.0605 39.0374 177.9772 40 L 3.8380 8.2985 119.8938 57.6348 41.4258 179.5023 41 S 4.0633 8.1891 112.8495 61.4309 62.4409 176.2607 42 R 4.1103 7.9266 119.4831 57.9753 29.9494 177.0509 43 N 4.9300 7.3395 116.0693 52.6671 39.2280 176.9565 44 K 3.9300 8.1398 120.5242 59.2318 32.2394 177.6599 45 N 4.8001 7.9953 113.8742 52.5339 38.6367 174.2809 46 K 4.7016 7.6495 117.0236 54.5289 35.7163 175.5675 47 E 4.1862 8.5526 119.3578 56.2774 30.4874 176.5407 48 V 4.4665 8.2862 123.2141 61.2184 34.2845 174.5199 49 L 4.6763 9.6115 128.5880 53.6809 43.3010 177.6811 50 Q 3.9980 8.9707 122.1178 59.7694 28.7955 179.3804 51 R 4.1192 8.0692 116.2871 59.5050 29.2321 178.4469 52 D 4.3767 8.0581 119.0297 57.1072 40.8103 178.5106 53 L 3.9835 7.9867 120.3425 58.0969 42.2305 178.3853 54 E 3.9983 8.5673 119.0057 59.8023 28.9739 179.7550 55 S 4.1146 8.0585 114.8147 61.4979 62.6926 176.2705 56 E 3.7862 8.2899 121.2207 58.7917 29.4161 178.0130 57 F 4.3293 8.0996 114.1390 56.0487 40.3515 175.8601 58 S 3.7436 7.3220 113.7074 59.8382 60.7662 171.5121 59 I 4.6130 7.5242 111.7703 58.5142 40.6138 176.7487 60 K 4.2350 8.2377 120.6671 56.0676 34.0117 178.2852 61 S 4.9591 8.9789 119.8859 61.2692 62.8059 177.3219 62 S 4.1160 8.0536 115.9856 61.9050 62.5898 176.4203 63 T 3.7969 7.9337 119.1225 66.1332 68.1831 176.1923 64 A 3.9540 8.1123 122.4923 55.4908 18.2805 179.8728 65 T 3.8037 8.0555 114.2558 66.6662 68.5153 177.2148 66 V 3.5454 7.7366 120.1457 65.7397 31.3549 177.7422 67 L 3.8848 7.8835 119.0855 58.3719 42.0612 178.7295 68 L 4.1104 7.8875 117.5649 57.6379 41.8089 178.9909 69 Q 4.1699 8.3471 119.8088 59.1090 28.9785 179.1423 70 R 3.8207 7.7554 116.4285 57.0967 30.2584 178.2757 *72 E 4.6076 8.0375 119.7930 56.7050 31.4205 178.4181 73 I 3.6820 7.7536 118.1716 64.2102 37.1611 177.1229 74 K 4.2386 8.0771 117.0985 55.8496 31.9716 176.6885 75 K 3.9715 7.8133 117.6091 57.6617 30.1321 176.2195 76 L 4.6360 7.8757 119.1944 56.1453 43.4549 176.8318 77 L 5.2841 7.7248 117.2470 55.1540 44.2755 173.7903 78 Y 4.7982 8.6879 116.9230 56.3575 41.9689 173.3259 79 R 5.0045 8.6392 118.2926 54.3471 32.2656 175.8858 80 K 4.7277 8.5955 124.2392 54.0620 35.4731 175.3666 81 V 3.9392 8.4820 126.5435 63.2594 31.8799 175.6241 82 S 4.2758 9.0280 123.6040 58.4103 62.4588 174.3846 83 G 3.8150 9.2811 114.7490 47.6559 0.0000 175.7826 84 K 4.0092 8.3066 118.8128 58.8906 32.3037 177.0068 85 D 4.4953 8.0872 121.3406 52.6541 42.8852 175.6787 86 S 4.3117 8.7484 121.5219 60.0259 63.0121 175.1138 87 R 4.2555 8.2654 119.7078 57.2452 30.5936 176.1022 88 Q 4.8261 8.1434 117.5109 53.8568 32.1451 174.5727 89 K 5.1329 8.5859 120.7505 54.8035 34.6107 175.3217 90 C 4.9061 8.9645 120.2920 56.4701 32.4371 172.8505 91 L 4.6254 8.6377 121.8720 54.3835 42.2590 176.5690 92 K 4.4936 8.5833 122.5743 54.2730 35.8471 175.8430 93 L 4.7382 8.4555 124.2098 54.7973 42.7110 176.9570 94 T 4.4361 8.7754 113.3748 60.9467 70.6144 175.8442 95 K 3.8907 8.8181 120.8991 59.4230 31.7125 179.0516 96 K 3.7961 8.1668 118.1637 59.8826 32.2373 178.0852 97 A 4.1445 7.8885 120.2120 55.1483 18.3793 179.3194 98 N 4.2958 8.5178 115.1692 56.2650 38.3227 177.6139 99 K 4.1230 7.8333 118.4917 58.3798 32.3063 178.1440 100 L 4.3370 7.7440 118.0576 54.2429 41.7725 177.6295 101 E 3.8942 7.8221 121.3289 59.9063 29.5348 179.0446 102 T 3.8595 7.7855 114.8859 66.5580 68.6114 176.5746 103 I 3.7311 7.6802 121.2069 64.5324 36.9486 178.4333 104 I 3.8892 7.7194 119.1442 64.5137 37.0781 178.1958 105 L 4.2631 7.9305 118.7094 57.8556 41.7052 179.2984 106 S 4.2433 8.2726 113.1708 61.3205 62.2232 175.6651 107 Y 3.5747 7.7422 117.8395 58.8182 37.9474 176.9955 *109 D 4.4992 7.9563 119.5856 54.3401 43.1176 178.0694 110 S 4.0230 7.8302 115.0462 61.4482 62.4376 176.2474 111 D 4.1269 7.7085 120.2511 57.0933 40.9750 177.8310 112 Q 4.0835 7.8154 118.5370 59.4567 29.2979 177.6870 113 S 4.2935 7.8797 114.7710 61.6728 63.0893 176.7325 114 Q 4.1886 7.9981 120.0511 56.6892 28.6799 176.8590 *116 T 4.0545 7.7227 106.5452 60.4603 70.2877 173.4026 117 S 4.3975 7.7722 116.7066 60.0516 63.3511 175.0433 118 G 3.9654 8.7737 110.4491 45.6911 0.0000 173.4424 119 L 4.5225 7.5991 120.0210 53.5760 42.9252 176.6822 120 N 4.5287 9.2118 121.0340 52.7926 39.5311 175.9385 121 K 3.8326 8.9595 122.6551 60.0445 32.0701 178.9391 122 E 4.0505 8.1943 116.8961 59.3564 29.3956 178.8761 123 E 4.0715 8.0859 119.5872 59.2146 29.5177 179.3291 124 V 3.5888 7.7522 117.8169 65.9314 31.7097 178.0039 125 V 3.7243 7.8405 117.9189 66.0359 31.3810 177.4622 126 F 4.4412 8.4102 120.4209 61.6217 39.0634 177.0118 127 L 3.7955 8.1153 118.3040 57.8243 41.4109 179.3284 128 E 3.9268 8.1387 118.3942 59.5041 29.4717 179.7010 129 K 4.0087 8.1364 118.3875 59.2868 31.8459 179.5757 130 I 3.5557 7.4782 119.2647 64.3793 37.1221 178.0785 131 L 4.0630 7.7919 118.5825 57.7154 41.7522 179.1388 132 K 4.0745 8.1691 119.4960 59.3994 32.0504 179.5975 133 R 3.8631 7.6615 116.1553 56.6180 29.6767 178.6374 *135 I 4.0876 7.7280 121.5350 61.4629 39.2513 177.0495 136 E 4.0189 8.1128 120.0857 59.2311 29.6768 176.6591 137 S 4.3073 7.8412 117.9444 59.1665 62.9497 174.2780 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 4 D 8.22 4.61 0.00 2.75 2.77 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 5 L 7.96 3.84 0.00 1.81 1.64 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.25 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 0.00 0.00 0.00 7 R 7.83 3.84 0.00 1.88 2.09 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 8 L 7.91 3.98 0.00 1.88 1.69 0.91 0.29 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 9 L 8.20 3.89 0.00 1.86 1.84 0.89 0.76 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 10 K 7.98 3.90 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 I 7.79 3.64 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 1.44 0.64 0.90 0.00 0.00 12 A 7.90 3.94 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 13 S 7.88 4.11 0.00 3.90 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 14 N 8.43 4.53 0.00 2.80 2.83 0.00 0.00 7.07 8.67 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 15 Q 8.18 4.11 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 *17 S 8.00 4.27 0.00 3.86 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 18 T 8.03 3.88 4.40 0.00 0.00 0.00 0.00 0.00 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 19 R 8.00 4.09 0.00 2.00 2.32 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 20 F 8.36 4.65 0.00 3.23 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 21 D 8.62 4.46 0.00 3.00 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 22 I 7.50 3.72 1.97 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 1.44 0.57 0.97 0.00 0.00 23 F 8.19 4.20 0.00 2.72 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 24 A 8.06 3.71 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 25 K 8.08 4.02 0.00 1.96 2.11 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.39 7.81 26 K 7.30 3.65 0.00 1.05 1.02 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.26 1.49 7.81 27 Y 7.11 4.57 0.00 2.75 2.79 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 28 D 7.75 4.41 0.00 2.80 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 29 L 7.65 5.01 0.00 1.73 1.51 0.88 0.94 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 30 T 8.63 4.31 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 1.21 0.00 0.00 31 G 9.24 4.17 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 0.00 0.00 0.00 32 T 8.16 4.05 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 1.10 0.00 0.00 33 Q 8.05 3.83 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 *35 T 7.99 4.39 4.52 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 1.43 0.00 0.00 36 I 7.70 3.79 1.91 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.92 0.00 0.00 37 I 7.92 3.72 1.89 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 1.41 0.84 0.91 0.00 0.00 38 D 8.14 4.33 0.00 2.82 2.93 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 39 Y 8.09 4.23 0.00 3.21 3.49 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 40 L 8.30 3.84 0.00 1.72 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.19 4.06 0.00 3.88 4.09 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 42 R 7.93 4.11 0.00 1.94 1.95 0.00 3.18 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 43 N 7.34 4.93 0.00 2.33 2.52 0.00 0.00 6.84 8.15 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 44 K 8.14 3.93 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.63 7.81 45 N 8.00 4.80 0.00 2.67 2.80 0.00 0.00 6.67 7.61 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 46 K 7.65 4.70 0.00 1.80 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.31 7.81 47 E 8.55 4.19 0.00 1.87 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 0.00 2.29 2.29 0.00 48 V 8.29 4.47 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 1.20 0.00 0.00 0.78 0.00 0.00 49 L 9.61 4.68 0.00 1.68 1.57 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.97 4.00 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 51 R 8.07 4.12 0.00 2.09 2.20 0.00 3.04 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 52 D 8.06 4.38 0.00 3.01 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 53 L 7.99 3.98 0.00 1.90 1.94 1.00 0.89 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 54 E 8.57 4.00 0.00 2.23 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 0.00 2.47 2.50 0.00 55 S 8.06 4.11 0.00 4.05 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 56 E 8.29 3.79 0.00 1.76 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 1.47 1.47 0.00 57 F 8.10 4.33 0.00 3.08 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 58 S 7.32 3.74 0.00 3.98 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 59 I 7.52 4.61 1.88 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 1.36 0.67 1.00 0.00 0.00 60 K 8.24 4.24 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 61 S 8.98 4.96 0.00 3.86 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 62 S 8.05 4.12 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.93 3.80 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 1.20 0.00 0.00 64 A 8.11 3.95 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 65 T 8.06 3.80 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 1.21 0.00 0.00 66 V 7.74 3.55 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 0.99 0.00 0.00 0.97 0.00 0.00 67 L 7.88 3.88 0.00 1.87 1.78 0.77 1.21 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 68 L 7.89 4.11 0.00 1.69 1.71 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.35 4.17 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 70 R 7.76 3.82 0.00 2.02 1.93 0.00 3.20 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 *72 E 8.04 4.61 0.00 2.25 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 2.61 2.34 0.00 73 I 7.75 3.68 2.05 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 1.30 0.75 0.91 0.00 0.00 74 K 8.08 4.24 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 75 K 7.81 3.97 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.52 7.81 76 L 7.88 4.64 0.00 1.61 1.71 0.92 0.46 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 77 L 7.72 5.28 0.00 1.91 1.73 0.93 0.49 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 78 Y 8.69 4.80 0.00 3.02 3.05 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 79 R 8.64 5.00 0.00 1.73 1.88 0.00 3.15 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 80 K 8.60 4.73 0.00 1.80 1.55 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.41 7.81 81 V 8.48 3.94 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 0.85 0.00 0.00 0.95 0.00 0.00 82 S 9.03 4.28 0.00 3.89 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 83 G 9.28 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 0.00 0.00 0.00 84 K 8.31 4.01 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 85 D 8.09 4.50 0.00 2.66 2.48 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 0.00 0.00 0.00 0.00 86 S 8.75 4.31 0.00 4.02 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 87 R 8.27 4.26 0.00 1.96 2.02 0.00 3.12 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 88 Q 8.14 4.83 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 89 K 8.59 5.13 0.00 1.60 1.70 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.40 7.81 90 C 8.96 4.91 0.00 3.03 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 91 L 8.64 4.63 0.00 1.49 1.59 0.97 0.68 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 92 K 8.58 4.49 0.00 0.79 1.26 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.93 1.16 7.81 93 L 8.46 4.74 0.00 1.53 1.61 0.91 0.90 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 94 T 8.78 4.44 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 1.44 0.00 0.00 95 K 8.82 3.89 0.00 1.83 1.92 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.53 7.81 96 K 8.17 3.80 0.00 1.75 2.00 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 97 A 7.89 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.52 4.30 0.00 2.92 2.89 0.00 0.00 7.00 7.73 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 99 K 7.83 4.12 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 100 L 7.74 4.34 0.00 1.74 1.48 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.82 3.89 0.00 2.05 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 2.30 2.36 0.00 102 T 7.79 3.86 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 0.00 103 I 7.68 3.73 1.80 0.00 0.00 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 1.66 0.69 0.78 0.00 0.00 104 I 7.72 3.89 1.96 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 1.67 0.52 0.96 0.00 0.00 105 L 7.93 4.26 0.00 1.68 1.72 1.04 1.23 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 0.00 106 S 8.27 4.24 0.00 3.89 4.09 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 0.00 107 Y 7.74 3.57 0.00 2.18 2.41 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 *109 D 7.96 4.50 0.00 2.90 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 0.00 110 S 7.83 4.02 0.00 3.78 3.78 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 0.00 0.00 0.00 111 D 7.71 4.13 0.00 2.04 2.51 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 0.00 112 Q 7.82 4.08 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 113 S 7.88 4.29 0.00 4.01 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 0.00 114 Q 8.00 4.19 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 *116 T 7.72 4.05 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 0.00 117 S 7.77 4.40 0.00 4.02 4.04 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 0.00 118 G 8.77 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 0.00 119 L 7.60 4.52 0.00 1.78 1.62 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.21 4.53 0.00 2.89 3.02 0.00 0.00 6.38 6.83 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 0.00 121 K 8.96 3.83 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 122 E 8.19 4.05 0.00 2.17 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 2.34 2.30 0.00 123 E 8.09 4.07 0.00 2.30 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 2.39 2.34 0.00 124 V 7.75 3.59 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 1.04 0.00 0.00 0.98 0.00 0.00 125 V 7.84 3.72 2.13 0.00 0.00 0.00 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 0.99 0.00 0.00 126 F 8.41 4.44 0.00 3.17 3.23 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 0.00 127 L 8.12 3.80 0.00 1.90 1.65 0.92 0.74 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 0.00 128 E 8.14 3.93 0.00 2.22 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 2.52 0.00 129 K 8.14 4.01 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.70 7.81 130 I 7.48 3.56 1.77 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.02 0.76 0.00 0.00 131 L 7.79 4.06 0.00 1.68 1.69 0.88 1.10 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 0.00 132 K 8.17 4.07 0.00 1.93 1.79 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.78 7.81 133 R 7.66 3.86 0.00 2.08 1.90 0.00 3.19 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 *135 I 7.73 4.09 2.01 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 1.28 0.61 0.90 0.00 0.00 136 E 8.11 4.02 0.00 2.10 1.96 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 2.31 2.32 0.00 137 S 7.84 4.31 0.00 3.90 3.79 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 * Residues marked with a * may have inaccurate shift predictions.