NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1682 8.2649 123.5834 51.8671 20.6104 177.2633 *2 I 4.0482 7.4805 114.4889 61.4409 38.1917 175.3694 3 V 4.0989 8.7141 125.0160 64.3689 32.7575 175.9267 4 G 4.7343 7.4992 104.2411 46.1208 0.0000 172.1417 5 L 5.3217 8.3218 122.6743 53.1034 45.8530 175.3060 6 G 4.3626 9.1012 111.8307 45.0811 0.0000 171.1957 7 T 5.2409 8.2543 115.7167 60.8415 71.0300 172.1374 8 D 4.7563 8.7462 123.6274 53.2236 45.2215 173.7466 9 I 5.1108 8.4707 123.7782 59.1761 41.1159 174.1813 10 A 4.9019 9.2754 130.0076 50.0348 22.4409 174.8081 11 E 4.3964 8.8576 122.9471 55.4604 30.4220 177.4060 12 I 3.7270 8.5374 128.6255 64.5130 37.0976 178.2670 13 E 3.9110 8.0510 119.0019 59.3473 29.2596 179.2379 14 R 3.7910 7.6593 118.5822 59.2739 30.1194 178.8041 15 V 3.5224 7.6077 117.5548 66.0209 31.6752 177.5996 16 E 4.0070 8.3376 118.4265 59.4964 29.1644 179.5821 17 K 3.9412 8.2328 118.2811 59.3114 32.0810 179.3215 18 A 3.7056 7.7674 121.0850 54.9894 18.1294 179.7220 19 L 4.1754 8.1119 117.3649 57.8834 41.4653 179.6066 20 A 4.0541 7.9984 119.9549 54.5725 18.2891 179.3647 21 R 4.2023 7.4266 115.6284 58.3174 30.9737 178.2716 22 S 4.7099 8.5474 112.5904 56.2267 64.9301 175.9315 23 G 4.0255 8.6354 111.1945 46.2013 0.0000 176.4706 24 E 4.0850 9.0015 123.2900 59.1131 28.8124 177.9168 25 N 4.3641 7.7553 116.0746 56.3308 39.0405 176.9258 26 F 4.4115 8.2155 121.0322 61.3029 39.6406 176.8046 27 A 3.4688 8.0306 120.3847 55.3193 17.8783 179.9040 28 R 3.8182 8.2070 115.2682 59.0896 30.1237 179.1958 29 R 4.0269 7.6010 117.0699 58.5683 30.0435 178.2341 30 I 3.5698 7.1108 117.9745 61.4659 38.2195 175.8851 31 L 4.8222 7.2370 118.5854 53.1053 43.6856 177.0893 32 T 4.0501 8.8207 113.5177 61.0290 69.6440 175.6441 33 D 4.3777 8.4918 121.2276 57.6909 40.5635 179.3667 34 S 4.3721 7.9441 113.1681 61.4179 63.3563 175.8748 35 E 4.2600 7.9786 121.8132 58.6910 29.2846 178.9930 36 L 4.0474 7.8285 118.8866 57.4111 41.4248 179.3104 37 E 3.9611 7.6520 116.8321 59.5649 29.2257 179.3105 38 Q 4.0082 8.0179 116.1725 58.7686 29.1560 178.1330 39 F 2.9101 7.9060 121.5543 61.4022 39.1929 176.9994 40 H 3.9661 8.2780 114.2517 58.5876 28.4979 177.3335 41 A 4.0385 7.3700 121.3350 53.4144 18.6302 177.9551 42 S 4.1441 6.9349 111.9283 58.4273 62.9033 173.9126 43 K 4.4057 8.4527 123.9911 56.4100 33.0550 176.7614 44 Q 4.6604 8.1136 117.5439 54.1550 29.3968 176.2919 45 Q 4.0614 7.9671 120.1474 58.9217 29.2061 178.9613 46 G 3.7839 8.1672 106.3072 48.0109 0.0000 175.8452 47 R 3.9958 8.0234 120.1317 58.7134 30.3188 178.5607 48 F 4.0460 8.5533 120.6377 61.4809 39.4656 177.0367 49 L 4.1576 8.9820 120.0882 58.0150 41.8227 178.6025 50 A 4.0863 8.3857 120.9706 55.1838 18.2645 179.7799 51 K 3.9437 8.0264 116.6037 59.7384 32.1112 179.8759 52 R 3.8675 7.8709 117.9901 59.0248 29.9337 178.8013 53 F 3.9787 8.8421 120.6250 61.3054 39.3191 177.0145 54 A 4.5701 8.7323 121.5487 54.7219 18.1772 179.4693 55 A 3.8594 8.2092 119.3801 55.2278 18.4118 180.1000 56 K 3.4189 8.1361 117.0626 59.2463 32.2107 179.4790 57 E 3.6100 8.0394 118.7010 59.2129 29.3759 179.1926 58 A 3.8794 8.0948 120.7619 55.0871 18.4889 179.5185 59 A 3.8202 7.7653 119.4583 55.2601 18.2512 180.0712 60 S 4.1959 7.5873 112.6877 61.4118 62.9504 176.9051 61 K 3.9463 7.9230 121.8679 59.0713 31.7524 179.1598 62 A 4.2797 7.8708 122.3698 54.4271 18.0108 179.5394 63 L 4.0430 7.7297 116.7614 56.0367 41.7813 178.3574 64 G 4.0101 8.0833 106.4534 45.2604 0.0000 173.7198 65 T 4.2488 7.6196 109.0998 60.3860 70.8728 175.7175 66 G 3.8370 7.8797 110.3343 45.5683 0.0000 173.5995 67 I 3.9455 7.7902 117.8668 59.2091 35.7663 174.5227 68 A 4.1806 8.3956 126.9761 52.2890 22.6194 176.2287 69 Q 3.5937 9.8756 114.8164 57.1403 26.0286 175.5885 70 G 3.9034 8.5380 107.1781 45.1229 0.0000 174.4777 71 V 3.9991 7.6678 121.0794 62.2587 32.1196 175.0298 72 T 4.8150 8.4804 116.3325 59.1908 72.0555 174.8821 73 F 4.2913 8.6352 119.7105 61.0823 38.9368 177.1823 74 H 4.6711 7.8757 115.1599 57.3804 28.7343 175.7893 75 D 4.4380 8.0152 118.9092 54.3863 40.9530 175.4379 76 F 5.3760 7.8157 118.0190 55.8019 41.7823 174.8392 77 T 4.8326 9.0111 119.7063 61.8626 71.7352 172.8533 78 I 4.8292 9.0194 128.0919 60.1963 38.8655 175.2975 79 S 4.8780 8.8285 121.3410 57.3828 66.6551 172.3750 80 H 5.2620 8.5836 114.7760 54.5492 32.6096 173.3019 81 D 4.7745 8.8871 123.1156 52.1705 40.9730 177.2404 82 K 4.0288 8.5394 117.4192 58.9486 31.9877 178.0143 83 L 4.3417 8.2303 116.9428 54.5422 42.0289 177.3207 84 G 3.9717 8.2608 107.6419 44.4993 0.0000 173.6497 85 K 4.2496 8.0652 122.2379 55.6013 33.2063 174.3201 86 P 4.8372 0.0000 0.0000 62.7502 32.3997 175.4424 87 L 4.9114 8.9911 121.3693 52.8435 45.9831 175.0653 88 L 5.1281 8.4938 122.8321 53.4172 44.5726 175.4081 89 I 4.6169 8.8132 126.9341 59.5324 40.1163 174.6050 90 L 5.1196 8.5073 125.9474 53.5142 43.7502 175.6359 91 S 4.3677 8.5855 116.1307 57.2430 67.1275 174.2963 92 G 3.8260 8.7504 107.7556 46.5475 0.0000 175.5442 93 Q 3.8956 8.5397 118.4300 58.9313 28.9769 178.3056 94 A 3.8304 7.9221 121.2740 55.1608 18.3185 179.3348 95 A 3.8744 7.7752 119.1853 55.0462 18.3813 179.5316 96 E 3.8226 8.0310 117.6971 59.4367 29.6801 179.1088 97 L 3.9544 8.1470 119.0126 57.6369 41.5901 179.2296 98 A 3.9710 8.1315 120.8408 55.1934 18.2241 179.5641 99 S 3.9848 8.2198 111.6446 61.6552 62.2759 176.0404 100 Q 3.9497 7.9087 120.7747 59.2166 28.8797 177.7487 101 L 4.1993 8.1068 117.0548 54.4421 42.0376 176.6502 102 Q 3.5775 8.1402 117.2412 56.6816 26.6380 174.1314 103 V 3.8702 8.0536 117.9017 63.1027 32.0389 174.8262 104 E 4.6963 8.9981 126.8540 56.1466 32.1053 175.5249 105 N 5.0857 8.0059 115.7489 51.5110 43.2084 173.3224 106 I 4.9010 8.2883 122.8195 59.7650 40.4406 174.4802 107 H 5.0307 9.1732 123.5202 53.8696 32.0550 172.5811 108 L 5.2153 8.4948 123.4663 53.4766 45.3240 175.1922 109 S 4.8360 9.0364 119.1487 56.6876 66.2366 172.5424 110 I 5.0748 8.2563 124.4017 59.8739 40.5194 174.6383 111 S 4.6970 8.4434 117.8615 57.1997 65.4635 172.4774 112 D 5.0045 8.3003 123.1466 51.9825 42.3722 174.8045 113 E 4.8805 8.5848 119.3200 55.2065 31.8178 175.2137 114 R 3.9968 8.0441 116.4040 59.9325 30.2986 177.2953 115 H 4.5687 8.5685 112.3561 55.7587 30.5795 173.6578 116 Y 5.2803 7.8730 115.8944 56.0935 42.2449 174.4724 117 A 5.5593 9.1678 123.6651 49.2005 23.0152 174.8771 *119 A 4.5598 8.2248 118.6210 52.5486 20.5047 176.0540 120 T 5.1366 8.5598 114.9258 61.8184 73.2394 173.4133 121 V 5.0069 8.8534 124.1234 61.2217 35.2740 174.1536 122 I 5.0315 8.9033 127.6540 59.5117 40.8251 174.1908 123 L 5.2250 8.7992 126.6284 52.9375 44.1478 175.3930 124 E 5.0726 9.1766 120.8412 54.3779 33.5022 176.1531 125 R 4.2085 8.5099 116.3744 56.3928 29.7591 175.8268 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 0 A 8.26 4.17 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 *2 I 7.48 4.05 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 1.31 0.59 1.00 0.00 0.00 3 V 8.71 4.10 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 0.73 0.00 0.00 0.96 0.00 0.00 4 G 7.50 4.73 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 0.00 0.00 0.00 5 L 8.32 5.32 0.00 1.71 1.44 0.98 1.00 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 6 G 9.10 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 0.00 0.00 0.00 0.00 7 T 8.25 5.24 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 1.20 0.00 0.00 8 D 8.75 4.76 0.00 2.79 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 9 I 8.47 5.11 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.92 0.00 0.00 10 A 9.28 4.90 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.86 4.40 0.00 2.14 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 2.23 1.99 0.00 12 I 8.54 3.73 1.78 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 1.53 0.39 0.90 0.00 0.00 13 E 8.05 3.91 0.00 1.94 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 2.37 2.33 0.00 14 R 7.66 3.79 0.00 1.81 1.93 0.00 3.07 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 15 V 7.61 3.52 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 1.23 0.00 0.00 0.83 0.00 0.00 16 E 8.34 4.01 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 2.36 2.54 0.00 17 K 8.23 3.94 0.00 1.86 1.78 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 18 A 7.77 3.71 0.41 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 19 L 8.11 4.18 0.00 1.95 1.86 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.05 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 21 R 7.43 4.20 0.00 1.78 1.94 0.00 3.03 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 22 S 8.55 4.71 0.00 3.87 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 23 G 8.64 4.03 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 0.00 0.00 0.00 24 E 9.00 4.09 0.00 2.05 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 0.00 2.49 2.42 0.00 25 N 7.76 4.36 0.00 2.92 2.96 0.00 0.00 6.98 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 26 F 8.22 4.41 0.00 3.03 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 27 A 8.03 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.21 3.82 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 29 R 7.60 4.03 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 30 I 7.11 3.57 1.54 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.04 0.59 0.00 0.00 31 L 7.24 4.82 0.00 1.50 1.50 0.39 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.82 4.05 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 1.20 0.00 0.00 33 D 8.49 4.38 0.00 2.76 2.76 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 34 S 7.94 4.37 0.00 4.04 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 35 E 7.98 4.26 0.00 2.18 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 0.00 2.41 2.39 0.00 36 L 7.83 4.05 0.00 1.86 1.59 0.90 0.54 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 37 E 7.65 3.96 0.00 2.01 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 2.36 2.37 0.00 38 Q 8.02 4.01 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.04 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 39 F 7.91 2.91 0.00 2.70 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 40 H 8.28 3.97 0.00 3.18 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.37 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 42 S 6.93 4.14 0.00 3.65 3.51 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 43 K 8.45 4.41 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.44 7.81 44 Q 8.11 4.66 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 45 Q 7.97 4.06 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 1.65 2.17 0.00 46 G 8.17 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 0.00 0.00 0.00 47 R 8.02 4.00 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.55 4.05 0.00 3.34 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 49 L 8.98 4.16 0.00 2.08 1.88 0.64 0.75 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 50 A 8.39 4.09 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 51 K 8.03 3.94 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 52 R 7.87 3.87 0.00 2.01 1.98 0.00 3.26 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 53 F 8.84 3.98 0.00 3.11 3.21 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 54 A 8.73 4.57 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 55 A 8.21 3.86 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 56 K 8.14 3.42 0.00 1.86 1.74 0.00 1.88 0.00 0.00 2.17 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.66 7.81 57 E 8.04 3.61 0.00 1.96 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 1.94 1.69 0.00 58 A 8.09 3.88 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 59 A 7.77 3.82 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 60 S 7.59 4.20 0.00 4.13 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 61 K 7.92 3.95 0.00 1.95 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.57 7.81 62 A 7.87 4.28 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 63 L 7.73 4.04 0.00 1.93 1.77 1.06 0.99 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 64 G 8.08 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 65 T 7.62 4.25 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 66 G 7.88 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 67 I 7.79 3.95 1.66 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.03 0.62 0.00 0.00 68 A 8.40 4.18 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 69 Q 9.88 3.59 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.54 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 0.00 0.00 0.00 71 V 7.67 4.00 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 1.04 0.00 0.00 0.89 0.00 0.00 72 T 8.48 4.81 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 1.24 0.00 0.00 73 F 8.64 4.29 0.00 3.27 3.37 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 74 H 7.88 4.67 0.00 3.14 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.02 4.44 0.00 2.00 2.26 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 76 F 7.82 5.38 0.00 2.97 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 77 T 9.01 4.83 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 1.24 0.00 0.00 78 I 9.02 4.83 1.85 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 1.46 0.77 0.80 0.00 0.00 79 S 8.83 4.88 0.00 3.84 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 80 H 8.58 5.26 0.00 3.09 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.89 4.77 0.00 2.88 2.85 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 82 K 8.54 4.03 0.00 1.76 1.93 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 83 L 8.23 4.34 0.00 1.76 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.26 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 85 K 8.07 4.25 0.00 1.87 2.00 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.45 7.81 86 P 0.00 4.84 0.00 2.05 1.98 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 87 L 8.99 4.91 0.00 1.49 1.53 0.92 0.38 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 88 L 8.49 5.13 0.00 1.59 1.52 1.09 1.00 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 89 I 8.81 4.62 1.88 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 1.23 0.83 0.90 0.00 0.00 90 L 8.51 5.12 0.00 1.47 1.46 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.59 4.37 0.00 3.74 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 92 G 8.75 3.83 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 0.00 0.00 0.00 93 Q 8.54 3.90 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 94 A 7.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.78 3.87 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 96 E 8.03 3.82 0.00 2.05 2.07 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 2.28 2.33 0.00 97 L 8.15 3.95 0.00 1.70 1.69 0.90 1.14 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 98 A 8.13 3.97 1.38 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 0.00 0.00 0.00 99 S 8.22 3.98 0.00 3.96 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 0.00 100 Q 7.91 3.95 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 101 L 8.11 4.20 0.00 1.78 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.14 3.58 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 103 V 8.05 3.87 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 0.76 0.00 0.00 0.93 0.00 0.00 104 E 9.00 4.70 0.00 1.94 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 2.19 2.28 0.00 105 N 8.01 5.09 0.00 2.69 2.51 0.00 0.00 6.93 7.37 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 0.00 106 I 8.29 4.90 1.83 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 1.33 0.58 0.91 0.00 0.00 107 H 9.17 5.03 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.49 5.22 0.00 1.55 1.45 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.04 4.84 0.00 3.90 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 0.00 110 I 8.26 5.07 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.90 0.00 0.00 111 S 8.44 4.70 0.00 3.81 3.65 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 D 8.30 5.00 0.00 2.94 2.60 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 0.00 113 E 8.58 4.88 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 114 R 8.04 4.00 0.00 1.71 1.83 0.00 3.11 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 115 H 8.57 4.57 0.00 2.97 2.66 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.87 5.28 0.00 2.92 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 0.00 117 A 9.17 5.56 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 *119 A 8.22 4.56 1.24 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 0.00 0.00 0.00 120 T 8.56 5.14 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 1.23 0.00 0.00 121 V 8.85 5.01 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 0.96 0.00 0.00 0.88 0.00 0.00 122 I 8.90 5.03 1.92 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 1.23 0.63 0.94 0.00 0.00 123 L 8.80 5.22 0.00 1.59 1.56 0.96 0.55 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 0.00 124 E 9.18 5.07 0.00 2.00 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 0.00 2.37 2.25 0.00 125 R 8.51 4.21 0.00 1.93 2.04 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.