NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7015 8.2233 120.5274 54.4216 42.3213 175.3652 2 K 4.5012 8.8212 120.1055 56.0684 33.2980 174.3440 3 A 4.8664 7.3303 120.8813 50.5691 22.6672 175.2451 4 T 4.4460 8.6258 110.0400 59.9621 72.3111 173.6839 5 I 4.3496 7.9233 123.2640 59.0331 37.8729 173.7154 6 P 4.2483 0.0000 0.0000 64.6950 31.2512 177.4558 7 S 4.5987 7.6657 112.1488 56.2942 64.7931 174.2912 8 E 4.2372 9.1168 127.5574 58.5417 29.6096 177.0438 9 S 4.8879 7.1669 110.4560 55.7901 65.3847 171.9152 10 P 4.9993 0.0000 0.0000 62.7818 32.2510 175.1694 11 F 5.1766 8.2620 115.4426 54.9915 42.1466 173.6029 12 A 4.4466 9.0572 120.4642 51.6452 19.0250 178.7074 13 A 3.8999 8.9658 124.2071 55.3913 18.5958 180.0908 14 A 4.1473 8.0802 116.9101 54.6211 18.5414 177.7150 15 E 4.5546 8.3330 114.7000 55.7665 29.8085 176.7462 16 V 3.8798 7.6183 119.1679 61.8669 31.9452 176.1303 17 A 4.1855 8.4398 125.4724 51.5186 19.1095 176.5865 18 D 4.5217 8.4978 120.6651 56.2006 41.1960 177.7752 19 G 3.9074 8.9431 111.1942 45.1386 0.0000 173.5074 20 A 4.2656 7.5816 121.3041 52.3047 19.4362 177.5819 21 I 4.1551 8.6953 122.1514 59.8675 38.4813 175.0382 22 V 4.3843 8.1958 127.6978 61.7599 32.8530 175.1337 23 V 4.3289 8.3539 128.0520 61.1453 33.6099 174.4072 24 D 5.0365 8.7867 127.9743 54.2295 42.6731 175.6188 25 I 5.0180 8.9274 123.5322 60.0846 39.1842 174.4885 26 A 4.7439 8.8655 128.0855 50.8277 23.1235 175.7901 27 K 4.1062 9.2694 117.1695 58.2505 29.6510 175.3094 28 M 3.3436 8.4951 112.7229 55.8758 30.4788 177.2396 29 K 4.4658 7.5676 114.5463 54.8420 36.6027 175.4602 30 Y 4.6663 8.1348 118.9555 57.9870 37.8867 176.0599 31 E 4.1518 9.4796 126.0198 58.6402 29.5130 177.6467 32 T 4.6741 8.0466 117.0923 61.0542 68.8463 172.7571 33 P 4.6035 0.0000 0.0000 64.0805 33.1318 175.5261 34 E 4.9568 7.8279 117.9468 54.6287 32.1595 174.0329 35 L 4.7939 8.8264 129.7368 53.5311 44.8339 174.5096 36 H 5.3192 8.8639 122.8727 54.3456 30.6698 174.0488 37 V 4.5954 8.8212 115.8647 59.7995 36.7581 174.3989 38 K 4.8546 9.0387 120.6105 54.2964 34.9061 176.7870 39 V 3.8139 8.3400 121.5885 65.1148 31.6494 176.4411 40 G 4.0411 9.3952 115.9073 45.1546 0.0000 173.5201 41 D 4.6104 8.1012 120.0029 54.6008 42.4320 175.4203 42 T 4.9227 8.4150 118.4450 62.2236 70.6490 173.6013 43 V 4.4870 8.8127 127.3046 61.6776 33.6754 174.5815 44 T 5.0531 8.4606 124.0854 61.6244 71.7034 173.0847 45 W 5.0824 9.4930 127.0739 55.8795 31.3164 175.6089 46 I 5.0241 8.7797 124.0156 59.4648 40.4030 174.1012 47 N 4.8655 9.3370 127.4324 53.4700 39.6783 175.2309 48 R 4.8279 8.9129 124.4569 55.2940 30.9477 175.8854 49 E 4.6969 8.5995 118.3854 54.0319 33.0603 176.6451 50 A 4.2282 8.2066 123.3361 51.8072 16.6464 175.6409 *52 P 4.6869 0.0000 0.0000 62.8713 33.4060 177.5889 53 H 5.0921 8.3746 117.4433 54.7446 33.8228 172.0676 54 N 4.8821 8.3874 115.8242 51.8646 40.5197 173.3519 55 V 4.5035 7.9343 109.8879 60.1039 35.6922 174.5904 56 H 5.2457 8.8263 123.3920 54.6650 33.2420 171.6900 57 F 5.1267 9.4749 125.0646 55.6595 41.3911 176.1512 58 V 4.3674 8.5770 116.6312 60.4442 33.1695 175.5066 59 A 4.1409 8.5059 124.8338 54.0956 18.5315 178.3510 60 G 3.9706 8.9434 109.7037 45.5232 0.0000 174.5030 61 V 4.1723 7.1575 118.4570 64.5742 32.5944 176.7693 62 L 4.2155 7.9495 118.2623 54.5977 42.5887 177.1811 63 G 3.9523 7.3093 104.3566 45.4660 0.0000 172.3593 64 E 3.8875 8.6941 117.9930 59.3343 29.6167 177.6553 65 A 4.5143 7.6919 118.1276 50.8161 19.7271 177.2870 66 A 4.2081 8.6473 121.4541 52.3380 19.6397 177.3281 67 L 4.4194 9.1432 123.0240 53.3796 43.9442 175.5843 68 K 4.3336 8.5057 129.2933 54.6228 32.2496 176.2540 69 G 3.5883 8.6238 115.7858 44.8200 0.0000 170.1172 70 P 4.4841 0.0000 0.0000 62.4729 32.4395 175.8640 71 M 4.3182 8.3062 121.1631 55.5690 32.8350 175.6845 72 M 4.3616 9.0513 124.6510 54.4029 33.9229 176.8555 73 K 4.7004 9.0325 123.8251 54.9151 34.5062 176.2752 74 K 4.1827 8.4855 122.1199 58.3394 32.2103 175.9518 75 E 3.8594 9.5113 124.2403 57.4362 27.5766 173.8177 76 Q 4.8864 7.9125 117.4095 54.4329 31.8575 174.3592 77 A 5.2125 8.5146 121.6022 50.7402 23.2410 174.5047 78 Y 4.9833 8.7742 119.1339 56.5041 42.6069 173.9634 79 S 5.4568 8.3448 121.2262 56.7977 66.6016 173.3343 80 L 4.6556 8.9035 121.3577 53.3064 45.9436 175.6165 81 T 4.8037 8.5237 120.4330 61.9219 70.5704 173.6720 82 F 4.6899 9.0722 126.8547 57.0207 40.0863 176.4570 83 T 4.6367 8.8682 113.0245 61.4530 69.7179 173.8595 84 E 4.6904 8.0714 121.6273 54.3587 32.8290 174.1573 85 A 4.3787 8.8508 127.1945 51.7331 19.4292 177.4286 86 G 3.6601 7.4170 106.0406 46.7503 0.0000 170.6946 87 T 4.7765 7.4713 115.7731 61.8834 71.4959 173.8575 88 Y 4.8896 9.0942 124.9854 56.2295 40.1048 174.6873 89 D 5.1877 8.8655 124.1727 54.3038 42.1651 175.2523 90 Y 4.7860 8.3905 119.5326 56.0850 42.2182 172.8208 91 H 5.4819 8.8240 114.7751 54.4916 33.3270 171.2857 92 C 4.8541 8.5993 118.9429 58.4495 32.2625 174.0660 93 T 3.9205 9.4070 124.8716 66.3930 68.1564 174.0924 94 P 4.3414 0.0000 0.0000 64.8072 32.1255 176.0856 95 H 4.4904 7.4575 116.1379 52.9993 28.5750 172.2368 96 P 4.3486 0.0000 0.0000 64.4662 31.7873 178.5479 97 F 4.2337 7.5001 113.4157 58.5684 38.2432 174.5977 98 Q 4.4061 7.8296 124.7095 55.0859 29.3726 174.4287 99 R 5.0752 8.5492 124.9135 54.7464 34.1288 174.8698 100 G 3.7703 8.0181 107.8269 45.4671 0.0000 171.5360 101 K 5.3060 9.0255 117.8514 55.5047 36.5079 175.2130 102 V 4.8231 9.2824 122.2288 61.2925 34.0935 174.2488 103 V 4.5246 8.8841 128.8419 61.4011 33.3344 174.3622 104 V 4.8636 8.7925 129.2075 61.0486 33.5837 175.2962 105 E 4.3562 9.0700 125.8622 56.6795 29.2827 175.1255 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 1 D 8.22 4.70 0.00 2.66 2.65 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 2 K 8.82 4.50 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.60 7.81 3 A 7.33 4.87 0.38 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 4 T 8.63 4.45 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 5 I 7.92 4.35 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 1.24 0.55 0.93 0.00 0.00 6 P 0.00 4.25 0.00 1.92 2.01 0.00 3.65 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 1.93 1.97 0.00 7 S 7.67 4.60 0.00 3.75 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 8 E 9.12 4.24 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 2.35 2.30 0.00 9 S 7.17 4.89 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 5.00 0.00 2.06 2.02 0.00 3.66 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 2.14 2.04 0.00 11 F 8.26 5.18 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 12 A 9.06 4.45 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 13 A 8.97 3.90 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 14 A 8.08 4.15 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 15 E 8.33 4.55 0.00 2.39 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 2.32 2.32 0.00 16 V 7.62 3.88 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 0.77 0.00 0.00 1.00 0.00 0.00 17 A 8.44 4.19 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 18 D 8.50 4.52 0.00 2.66 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 19 G 8.94 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 20 A 7.58 4.27 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 21 I 8.70 4.16 1.76 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 1.21 0.96 0.83 0.00 0.00 22 V 8.20 4.38 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 0.74 0.00 0.00 0.92 0.00 0.00 23 V 8.35 4.33 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 1.24 0.00 0.00 0.63 0.00 0.00 24 D 8.79 5.04 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 5.02 1.92 0.00 0.00 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 1.56 1.12 0.56 0.00 0.00 26 A 8.87 4.74 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 27 K 9.27 4.11 0.00 1.91 1.90 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 28 M 8.50 3.34 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 29 K 7.57 4.47 0.00 1.79 1.65 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 30 Y 8.13 4.67 0.00 3.11 3.12 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 31 E 9.48 4.15 0.00 1.98 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 2.39 2.47 0.00 32 T 8.05 4.67 4.30 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 1.28 0.00 0.00 33 P 0.00 4.60 0.00 2.15 2.39 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 34 E 7.83 4.96 0.00 1.96 1.88 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 2.24 2.22 0.00 35 L 8.83 4.79 0.00 1.82 1.48 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.86 5.32 0.00 3.04 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.82 4.60 2.22 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 0.68 0.00 0.00 0.76 0.00 0.00 38 K 9.04 4.85 0.00 1.69 1.71 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.36 7.81 39 V 8.34 3.81 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 0.80 0.00 0.00 0.99 0.00 0.00 40 G 9.40 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 0.00 0.00 0.00 41 D 8.10 4.61 0.00 2.78 2.61 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 42 T 8.42 4.92 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 1.23 0.00 0.00 43 V 8.81 4.49 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 -0.08 0.00 0.00 0.88 0.00 0.00 44 T 8.46 5.05 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 1.32 0.00 0.00 45 W 9.49 5.08 0.00 3.42 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 46 I 8.78 5.02 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.93 0.00 0.00 47 N 9.34 4.87 0.00 2.91 2.91 0.00 0.00 6.66 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 48 R 8.91 4.83 0.00 1.85 1.95 0.00 3.31 0.00 0.00 3.11 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 49 E 8.60 4.70 0.00 2.07 1.86 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 2.25 2.40 0.00 50 A 8.21 4.23 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 *52 P 0.00 4.69 0.00 1.91 1.99 0.00 3.65 0.00 0.00 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 53 H 8.37 5.09 0.00 3.02 3.08 0.00 5.56 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 54 N 8.39 4.88 0.00 2.56 2.68 0.00 0.00 5.84 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 55 V 7.93 4.50 1.08 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 -0.70 0.00 0.00 0.44 0.00 0.00 56 H 8.83 5.25 0.00 2.97 2.85 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.47 5.13 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 58 V 8.58 4.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 59 A 8.51 4.14 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 60 G 8.94 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 61 V 7.16 4.17 2.49 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 1.29 0.00 0.00 1.13 0.00 0.00 62 L 7.95 4.22 0.00 1.59 1.39 0.02 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.31 3.95 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 0.00 0.00 0.00 64 E 8.69 3.89 0.00 1.98 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 0.00 2.33 2.32 0.00 65 A 7.69 4.51 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 66 A 8.65 4.21 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 67 L 9.14 4.42 0.00 1.67 1.66 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.51 4.33 0.00 1.54 1.60 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.10 7.81 69 G 8.62 3.59 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 0.00 0.00 0.00 70 P 0.00 4.48 0.00 1.95 1.93 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.96 0.00 71 M 8.31 4.32 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 72 M 9.05 4.36 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 73 K 9.03 4.70 0.00 1.84 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 74 K 8.49 4.18 0.00 1.81 1.74 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.56 7.81 75 E 9.51 3.86 0.00 2.17 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 2.23 2.42 0.00 76 Q 7.91 4.89 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 77 A 8.51 5.21 0.75 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 0.00 0.00 78 Y 8.77 4.98 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.34 5.46 0.00 3.76 3.69 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 80 L 8.90 4.66 0.00 1.46 0.77 0.70 0.78 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 81 T 8.52 4.80 4.11 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 1.16 0.00 0.00 82 F 9.07 4.69 0.00 3.01 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 83 T 8.87 4.64 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 1.15 0.00 0.00 84 E 8.07 4.69 0.00 1.96 1.93 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 2.32 2.38 0.00 85 A 8.85 4.38 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 86 G 7.42 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 0.00 0.00 0.00 87 T 7.47 4.78 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 1.16 0.00 0.00 88 Y 9.09 4.89 0.00 3.20 3.33 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 89 D 8.87 5.19 0.00 2.62 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 90 Y 8.39 4.79 0.00 2.00 1.43 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 91 H 8.82 5.48 0.00 3.22 3.33 0.00 5.25 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.60 4.85 0.00 3.00 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 93 T 9.41 3.92 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 1.21 0.00 0.00 94 P 0.00 4.34 0.00 1.81 2.02 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 95 H 7.46 4.49 0.00 2.86 1.87 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.35 0.00 2.11 2.10 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 97 F 7.50 4.23 0.00 3.13 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 98 Q 7.83 4.41 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 1.53 1.97 0.00 99 R 8.55 5.08 0.00 1.66 1.67 0.00 3.40 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 100 G 8.02 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 0.00 0.00 0.00 101 K 9.03 5.31 0.00 1.93 1.96 0.00 1.25 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.39 7.81 102 V 9.28 4.82 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 0.46 0.00 0.00 1.28 0.00 0.00 103 V 8.88 4.52 1.70 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 0.90 0.00 0.00 0.81 0.00 0.00 104 V 8.79 4.86 2.31 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 1.05 0.00 0.00 0.82 0.00 0.00 105 E 9.07 4.36 0.00 1.95 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 2.21 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.