NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4514 8.3193 115.4158 57.7093 64.8351 172.3166 -1 N 4.6619 7.6193 117.3528 51.3121 40.1468 173.8781 0 A 4.2110 8.3649 121.1968 52.5903 16.7216 177.5808 3 E 4.2426 8.6564 126.0445 56.0986 29.8973 176.8543 4 I 3.6944 7.7814 117.7906 64.2235 37.3100 177.4406 5 F 4.5191 7.9806 117.2770 60.0817 39.4450 177.2157 6 I 3.9432 7.8566 120.9606 64.2266 37.1086 176.6279 7 R 4.6388 7.4149 116.9987 56.1302 30.2421 176.7670 8 A 4.1797 7.5083 120.2220 51.9626 19.3575 178.0037 9 N 4.4886 8.6810 119.6144 53.3747 39.8076 175.7868 10 Q 3.6868 8.8947 126.7851 59.1182 29.6318 178.2633 11 R 3.8116 7.7030 116.9144 59.0049 30.3872 178.4503 12 S 4.3010 8.2386 112.7828 60.6413 62.9673 174.8188 13 Y 5.2150 7.3340 117.6693 56.5829 38.5560 176.3396 14 S 4.4008 8.0427 115.4281 58.7106 64.7332 172.9319 15 V 4.8977 8.3176 121.6455 61.4421 33.0170 174.7656 16 Q 4.8690 9.5944 125.8043 54.3533 31.5200 174.1515 17 A 5.2516 8.7083 124.1624 51.2014 20.5214 176.6140 18 R 4.7155 9.2687 120.5883 54.2528 34.5657 174.4837 19 S 5.2141 8.5668 116.4712 57.2827 64.8874 173.3429 20 L 4.8458 8.5991 121.3655 53.1269 46.5102 175.2304 21 R 4.8131 8.5744 122.0961 54.8901 31.4461 175.3927 22 L 4.2675 8.5981 127.5697 53.9581 43.4483 176.6088 23 H 4.2092 9.9372 122.1416 56.8528 26.3182 176.0991 24 G 3.9755 8.4989 106.2729 45.2118 0.0000 174.1189 25 V 4.4895 7.3246 113.2840 58.8438 34.3863 175.2686 26 A 4.4822 8.6456 126.5263 53.1281 18.9858 176.8130 27 T 4.7207 8.9552 117.4363 61.9823 73.7261 172.6281 28 S 5.0803 8.7050 118.0761 56.6086 64.6070 173.2990 29 V 4.4449 8.6999 126.1883 61.3689 34.1868 174.3180 30 R 5.1754 8.8073 127.7642 54.8390 31.3694 175.7128 31 L 4.6311 8.8016 123.9925 52.1039 45.9084 176.2705 32 E 4.4734 8.6366 120.9891 57.2357 30.1884 177.9997 33 Q 4.2953 9.3483 124.6142 59.5795 29.0586 178.8402 34 L 4.1378 8.4833 121.4691 58.1250 41.9549 179.0691 35 F 3.8772 8.3578 117.3673 60.2185 38.8490 177.2565 36 W 4.4986 7.9599 118.1296 60.0998 28.8430 178.2569 37 D 4.4273 8.5691 118.9736 57.4981 40.2130 179.1331 38 V 3.5942 8.0570 118.8747 65.9132 31.4655 178.0296 39 L 3.9073 8.2900 119.1458 57.8007 41.4380 179.3243 40 E 3.9864 8.6261 118.8632 59.3013 29.4071 178.9708 41 E 3.9223 8.3479 119.3341 59.3223 29.5012 178.8573 42 I 3.3228 7.5650 118.4644 64.1822 37.4807 177.8667 43 A 4.1081 8.0911 121.2936 55.2584 18.2289 179.4638 44 A 3.9450 8.0828 119.2006 55.3676 18.2011 179.5382 45 R 3.9163 7.8741 116.1757 58.8307 30.0244 176.8606 46 D 4.8551 7.7299 116.4716 53.6692 41.6040 175.9980 47 G 3.7346 7.7320 109.1054 46.1916 0.0000 174.3353 *49 R 4.1471 7.4802 120.9941 55.9099 33.1072 176.0314 50 V 3.7097 8.3150 121.9531 65.7134 31.1114 178.8982 51 T 3.9868 7.8837 115.6922 66.2887 68.3140 176.3826 52 Q 3.9738 8.0527 121.1880 58.8834 29.1368 177.5338 53 L 3.9964 8.0703 121.4495 58.4494 42.0251 179.1914 54 I 3.9539 8.0547 119.5141 64.5112 37.0709 178.2205 55 E 4.0607 8.6401 119.7697 59.6237 29.3092 179.7344 56 R 4.0173 8.3427 118.0721 59.1786 30.0700 179.0577 57 L 4.1477 8.3676 118.9824 57.9493 41.6059 178.7374 58 Y 3.6723 8.5949 119.7322 60.8012 38.7890 177.7251 59 D 4.4504 8.3449 119.6133 57.8998 40.9701 179.1663 60 E 4.0300 8.3513 118.6253 59.0557 29.3887 179.2473 61 L 3.8134 8.2070 121.0326 57.9423 42.0420 178.9010 62 V 3.4730 7.4881 118.4356 66.3240 31.1015 178.0883 63 Q 3.9777 7.6676 115.9175 58.9949 28.6022 177.8348 64 Y 4.3161 8.1769 119.8893 60.2370 39.0627 177.2088 65 R 4.2843 8.4777 115.8452 55.6757 31.2426 176.6615 66 G 4.0069 10.1706 107.8975 45.3204 0.0000 172.9297 67 E 4.4461 7.2819 114.1546 55.7307 32.3620 175.1386 68 A 4.4014 7.7879 121.0063 50.3079 18.3134 176.0487 69 A 4.1553 7.6538 124.1702 52.2291 20.1185 177.3122 70 N 4.2489 8.8271 115.1238 54.1508 36.6517 176.4884 71 F 4.4209 8.2429 120.6628 61.7420 39.9218 175.8120 72 T 3.6827 7.9628 114.9966 66.6476 68.3622 176.6272 73 S 3.9973 8.0028 116.5786 61.4521 62.8845 176.2345 74 F 4.1178 8.3987 123.4036 61.4064 39.1470 177.1329 75 L 3.5797 7.6585 118.3636 57.5895 41.3008 179.6597 76 R 3.8460 7.5592 117.8524 59.4299 29.9615 179.3876 77 V 3.6336 7.7265 117.7690 65.7972 31.4274 177.6313 78 C 3.8185 7.9910 117.1620 63.0639 28.0582 175.9905 79 C 4.1368 7.9259 117.8621 62.7201 27.6340 175.9994 80 L 3.9736 7.9943 121.9314 58.2338 41.6267 179.2659 81 R 3.9023 8.4379 118.5265 59.1638 29.9925 178.0262 82 Y 4.2466 8.1152 119.5071 61.2830 38.7247 178.6796 83 Q 3.7347 8.0011 118.0739 58.5827 28.7018 178.6749 84 V 3.5250 8.0024 119.6326 66.1218 31.5009 178.1337 85 L 3.9205 8.1552 118.9167 57.7978 41.2755 179.5730 86 Q 4.3535 8.1220 119.0912 58.4696 28.4151 178.6819 87 A 3.9659 8.1881 120.8049 54.8522 18.4784 178.6934 88 E 4.2540 8.2747 114.8244 56.0600 29.8459 177.2026 89 G 3.8753 7.7676 107.0176 46.5327 0.0000 175.2539 90 R 4.1133 8.2973 121.4702 57.1903 30.8302 177.1815 91 I 4.4316 7.2833 118.5630 58.3117 39.1475 173.2066 92 P 4.3777 0.0000 0.0000 62.8316 32.1637 177.2130 93 A 4.5838 8.2085 127.2421 50.0981 17.1040 177.1919 94 D 4.6017 7.4133 121.2261 52.2983 44.7887 175.7953 95 A 4.1930 8.7335 129.7963 55.0773 18.6431 178.3718 96 T 3.9906 7.5954 104.0323 63.1859 69.2656 174.8745 97 V 4.0360 7.1376 121.5116 60.6398 31.5508 173.7334 98 P 4.6005 0.0000 0.0000 62.3241 32.1158 178.0098 99 I 3.8158 8.9565 123.3733 64.5142 37.1865 178.7470 100 R 4.0909 8.2565 118.5234 58.3476 29.8849 177.5742 101 S 4.3917 7.8163 111.2357 58.9629 63.6157 174.4566 102 L 4.2351 7.5746 121.5003 54.2364 42.5110 176.5220 103 D 4.6418 8.2904 119.2158 52.9656 41.7497 176.6103 104 A 3.9958 8.4496 130.3985 55.3252 18.5485 178.9448 105 Q 3.9622 8.1000 116.4828 58.9447 28.5081 178.7615 106 A 3.9844 8.0439 120.7774 55.0447 18.5715 179.3665 107 V 3.6168 7.7308 116.0896 65.6777 31.9736 177.5663 108 L 4.0702 7.9508 117.8270 54.3232 41.9474 176.9910 109 R 3.9688 7.1245 116.3704 57.3133 29.6255 177.1630 110 G 3.9299 8.8922 109.6566 45.3494 0.0000 173.5229 111 L 4.1273 7.0779 118.7738 53.5616 42.3731 175.4459 112 P 4.4213 0.0000 0.0000 62.7422 31.8296 177.6747 113 A 4.1466 8.5489 123.6026 54.7765 18.4807 178.4779 114 N 4.6163 8.1679 111.3265 54.0523 37.8604 175.5558 115 L 4.5755 7.7128 118.3737 55.0134 42.5616 175.3282 116 Y 4.7473 7.5533 114.5833 56.3964 40.1015 172.6111 117 D 4.6788 8.5740 120.5166 52.4148 42.5399 176.6603 118 S 4.0733 8.2343 120.7340 60.0243 63.5488 174.2074 119 R 4.1044 8.2442 123.1668 55.0854 30.0151 174.3842 120 P 4.5751 0.0000 0.0000 62.3188 32.1466 176.1631 121 L 4.3171 8.2278 119.5263 54.4043 42.3282 177.6524 122 G 3.7940 8.6461 108.8386 46.0616 0.0000 173.5857 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 S 8.32 4.45 0.00 4.00 4.05 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 -1 N 7.62 4.66 0.00 2.88 2.82 0.00 0.00 6.09 6.38 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 A 8.36 4.21 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 3 E 8.66 4.24 0.00 2.37 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 2.22 2.36 0.00 4 I 7.78 3.69 1.54 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.29 0.00 0.00 5 F 7.98 4.52 0.00 3.05 3.02 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 6 I 7.86 3.94 1.92 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 1.48 1.71 0.95 0.00 0.00 7 R 7.41 4.64 0.00 2.00 1.96 0.00 3.21 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 8 A 7.51 4.18 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 9 N 8.68 4.49 0.00 2.77 2.76 0.00 0.00 6.69 6.72 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 10 Q 8.89 3.69 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.67 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 11 R 7.70 3.81 0.00 1.90 2.10 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 12 S 8.24 4.30 0.00 4.18 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 13 Y 7.33 5.21 0.00 2.96 3.07 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 14 S 8.04 4.40 0.00 3.93 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 15 V 8.32 4.90 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 0.95 0.00 0.00 0.97 0.00 0.00 16 Q 9.59 4.87 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 17 A 8.71 5.25 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 18 R 9.27 4.72 0.00 1.43 1.49 0.00 2.21 0.00 0.00 2.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.66 0.00 19 S 8.57 5.21 0.00 3.86 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 20 L 8.60 4.85 0.00 1.70 1.57 1.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.57 4.81 0.00 1.79 1.81 0.00 3.16 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 22 L 8.60 4.27 0.00 0.86 0.13 0.46 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.94 4.21 0.00 3.32 3.38 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 24 G 8.50 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 0.00 0.00 0.00 25 V 7.32 4.49 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 0.96 0.00 0.00 26 A 8.65 4.48 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 27 T 8.96 4.72 4.20 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 1.24 0.00 0.00 28 S 8.70 5.08 0.00 3.90 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 29 V 8.70 4.44 2.47 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 0.91 0.00 0.00 1.18 0.00 0.00 30 R 8.81 5.18 0.00 1.75 1.92 0.00 3.24 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 31 L 8.80 4.63 0.00 0.27 0.83 -0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.64 4.47 0.00 2.21 2.32 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 2.54 2.48 0.00 33 Q 9.35 4.30 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 34 L 8.48 4.14 0.00 1.95 1.64 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.36 3.88 0.00 3.11 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 36 W 7.96 4.50 0.00 3.66 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 37 D 8.57 4.43 0.00 2.91 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 38 V 8.06 3.59 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 1.14 0.00 0.00 0.91 0.00 0.00 39 L 8.29 3.91 0.00 1.99 1.77 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.63 3.99 0.00 2.21 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 2.40 2.70 0.00 41 E 8.35 3.92 0.00 2.06 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 2.35 2.40 0.00 42 I 7.57 3.32 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.01 0.66 0.00 0.00 43 A 8.09 4.11 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 44 A 8.08 3.95 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 45 R 7.87 3.92 0.00 2.01 2.10 0.00 3.37 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 46 D 7.73 4.86 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 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 0.00 0.00 0.00 *49 R 7.48 4.15 0.00 1.88 1.91 0.00 3.31 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 50 V 8.32 3.71 2.15 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 0.94 0.00 0.00 1.15 0.00 0.00 51 T 7.88 3.99 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 1.29 0.00 0.00 52 Q 8.05 3.97 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 53 L 8.07 4.00 0.00 1.84 1.90 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.05 3.95 2.08 0.00 0.00 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 1.66 0.84 1.32 0.00 0.00 55 E 8.64 4.06 0.00 2.06 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 2.50 2.55 0.00 56 R 8.34 4.02 0.00 2.15 2.04 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 57 L 8.37 4.15 0.00 2.23 2.19 1.03 0.87 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 58 Y 8.59 3.67 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.45 0.00 2.99 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 60 E 8.35 4.03 0.00 2.01 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 2.46 2.48 0.00 61 L 8.21 3.81 0.00 1.47 1.49 0.54 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.49 3.47 1.98 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 0.98 0.00 0.00 0.21 0.00 0.00 63 Q 7.67 3.98 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 64 Y 8.18 4.32 0.00 2.91 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 65 R 8.48 4.28 0.00 1.85 1.83 0.00 3.17 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 1.42 1.66 0.00 66 G 10.17 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 67 E 7.28 4.45 0.00 1.97 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 2.12 2.22 0.00 68 A 7.79 4.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.16 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 70 N 8.83 4.25 0.00 2.94 2.89 0.00 0.00 6.58 8.13 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 71 F 8.24 4.42 0.00 3.41 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 72 T 7.96 3.68 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 1.10 0.00 0.00 73 S 8.00 4.00 0.00 4.04 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 74 F 8.40 4.12 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 75 L 7.66 3.58 0.00 1.50 1.37 0.58 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.56 3.85 0.00 1.87 1.69 0.00 2.80 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.37 0.00 77 V 7.73 3.63 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 1.06 0.00 0.00 0.96 0.00 0.00 78 C 7.99 3.82 0.00 2.87 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 79 C 7.93 4.14 0.00 3.25 2.81 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 80 L 7.99 3.97 0.00 1.99 1.83 0.95 1.11 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 81 R 8.44 3.90 0.00 1.92 1.98 0.00 3.24 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 82 Y 8.12 4.25 0.00 3.04 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 83 Q 8.00 3.73 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 84 V 8.00 3.52 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 1.09 0.00 0.00 0.99 0.00 0.00 85 L 8.16 3.92 0.00 1.78 1.64 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.12 4.35 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.20 1.71 0.00 87 A 8.19 3.97 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 88 E 8.27 4.25 0.00 1.96 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 2.29 2.41 0.00 89 G 7.77 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 0.00 0.00 0.00 90 R 8.30 4.11 0.00 1.84 2.06 0.00 3.06 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 91 I 7.28 4.43 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.91 0.00 0.00 92 P 0.00 4.38 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 93 A 8.21 4.58 1.18 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 0.00 0.00 94 D 7.41 4.60 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.19 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 96 T 7.60 3.99 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 97 V 7.14 4.04 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 0.80 0.00 0.00 1.00 0.00 0.00 98 P 0.00 4.60 0.00 2.23 2.03 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 99 I 8.96 3.82 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.96 0.00 0.00 100 R 8.26 4.09 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 101 S 7.82 4.39 0.00 4.00 3.99 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 0.00 0.00 0.00 102 L 7.57 4.24 0.00 1.76 1.64 0.94 1.05 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 0.00 103 D 8.29 4.64 0.00 2.70 2.56 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 0.00 104 A 8.45 4.00 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 0.00 105 Q 8.10 3.96 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 106 A 8.04 3.98 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 0.00 107 V 7.73 3.62 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 0.83 0.00 0.00 1.03 0.00 0.00 108 L 7.95 4.07 0.00 1.55 1.05 1.00 0.61 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 0.00 109 R 7.12 3.97 0.00 1.93 2.10 0.00 3.10 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 110 G 8.89 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 0.00 0.00 0.00 111 L 7.08 4.13 0.00 1.30 1.62 0.68 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.42 0.00 2.38 2.02 0.00 3.63 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 2.14 2.12 0.00 113 A 8.55 4.15 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 0.00 114 N 8.17 4.62 0.00 2.87 2.97 0.00 0.00 5.97 7.79 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 0.00 115 L 7.71 4.58 0.00 1.95 1.81 0.94 0.87 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 0.00 116 Y 7.55 4.75 0.00 3.08 2.81 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 0.00 117 D 8.57 4.68 0.00 2.76 2.78 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 0.00 118 S 8.23 4.07 0.00 3.98 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 0.00 119 R 8.24 4.10 0.00 1.80 2.10 0.00 3.18 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 120 P 0.00 4.58 0.00 2.28 2.10 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 121 L 8.23 4.32 0.00 1.66 1.65 0.86 0.43 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 0.00 122 G 8.65 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.