NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3928 0.0000 0.0000 62.4053 32.7716 176.8208 6 T 3.8638 8.2558 113.9280 60.9136 70.6818 173.5073 7 I 3.6426 8.5282 123.7380 64.7935 37.6225 178.9444 8 N 4.2154 8.2525 117.0763 57.2011 38.7308 176.2358 9 Q 4.0139 7.8646 118.4820 59.3985 28.6911 179.4799 10 L 4.0506 8.0243 119.6124 57.6492 41.3885 179.6992 11 V 3.6553 7.6491 117.0953 64.9205 31.6391 177.1040 12 R 3.8698 8.2032 117.2948 57.2400 29.3143 177.6817 13 K 3.8407 5.7375 122.9707 59.9071 33.1771 177.5794 14 G 4.2541 7.9584 105.1643 44.9621 0.0000 173.3323 15 R 4.1544 8.2435 118.4671 55.5471 30.9447 175.7402 16 E 4.5337 8.3457 121.4878 53.9356 31.0810 175.7372 17 K 4.0821 8.4792 127.5766 56.1404 32.3002 176.0804 18 V 3.4127 7.5800 119.0886 59.5108 32.0188 172.1353 19 R 4.0280 8.0672 128.5728 55.9001 31.2114 175.9532 20 K 4.6675 8.3486 122.8424 54.6846 35.4924 175.2871 21 K 4.2000 8.2718 119.1885 55.1187 32.9985 176.9391 22 S 4.1098 8.5395 118.1627 58.2668 61.1107 174.3064 23 K 3.7417 8.3729 128.2048 57.8974 32.0736 177.1280 24 V 4.0292 7.8329 118.0249 62.5563 33.1700 172.2785 25 P 4.5288 0.0000 0.0000 61.8185 29.8603 176.9754 26 A 4.0140 7.5997 118.7521 53.3917 19.8042 177.7648 27 L 4.1159 6.9514 113.2651 53.5003 39.8132 177.6449 28 K 4.2074 8.5866 122.0517 58.7308 30.1185 176.3079 29 G 3.9976 7.8596 99.1030 46.1927 0.0000 172.6596 30 A 4.2077 7.8594 120.4972 50.6881 19.4433 176.6306 31 P 4.0063 0.0000 0.0000 65.2336 31.4163 176.2837 32 F 5.0489 7.5529 112.1280 56.2593 43.7116 173.1928 33 R 4.7451 8.8348 118.5430 54.8663 33.2766 174.0355 34 R 4.9544 8.4744 124.6159 55.7822 32.1436 174.8743 35 G 3.9998 8.4293 109.7342 46.0698 0.0000 172.0152 36 V 4.7579 8.2017 118.9950 60.9397 35.0301 174.1965 37 C 4.9416 8.5697 123.9527 60.1044 28.1759 173.6286 38 T 4.0928 9.0583 120.2460 64.4944 67.3231 174.7195 39 V 4.5510 7.6960 119.6388 60.9315 35.6809 174.3131 40 V 4.5706 8.3786 123.7986 61.6102 33.5123 173.5918 41 R 4.8711 8.6018 132.7200 55.7298 33.7409 174.5560 42 T 5.2907 8.2626 111.1884 62.3529 68.8554 175.0468 43 V 4.3309 8.1422 122.8793 60.3528 34.5706 174.4280 44 T 5.0143 8.1367 110.0055 59.5623 71.3463 172.2303 45 P 4.5597 0.0000 0.0000 62.1031 31.9407 177.4151 46 K 4.5573 8.3600 123.2689 56.8234 31.7837 178.0323 47 K 3.8006 8.3196 110.8030 57.2664 32.5420 173.8914 48 P 4.6700 0.0000 0.0000 62.5136 32.5871 175.8316 49 N 4.7581 7.2872 117.0585 52.8964 39.9709 174.2048 50 S 4.4575 7.4106 111.0649 57.3847 65.3533 173.9038 51 A 4.3342 7.5789 127.5329 52.6876 22.9174 175.5974 52 L 4.9662 8.2562 111.9737 53.1014 42.8969 175.4254 53 R 4.2955 8.7137 121.6128 55.5893 31.9984 175.7436 54 K 4.4611 8.8766 123.6583 56.4517 33.0690 176.1384 55 V 4.9955 8.6090 124.2389 60.9965 35.8453 174.0534 56 A 5.2327 8.6973 125.3409 48.8804 22.4665 175.6868 57 K 4.5330 8.8322 122.6363 56.4307 33.5581 176.0909 58 V 4.7235 9.1211 125.3815 61.0129 34.5239 174.6021 59 R 4.4942 9.6377 129.8578 55.4106 30.3678 175.8284 60 L 4.7651 8.3256 127.0405 54.2454 42.5324 177.6209 61 T 4.0508 8.0752 109.1950 64.8924 68.9691 175.6824 62 S 4.4436 8.0744 117.2577 58.7177 63.0323 175.2508 63 G 4.0083 8.3857 106.7732 47.7631 0.0000 176.3576 64 Y 4.3113 8.1257 119.3322 57.9957 37.5715 174.9830 65 E 6.3000 8.2097 135.0000 57.3385 32.1358 177.6422 66 V 4.8003 7.6078 119.3087 59.7904 36.5114 174.0623 67 T 4.4301 8.6957 113.9087 61.8595 69.9828 173.1441 68 A 5.1009 9.0354 126.7207 50.2329 23.2120 174.0815 69 Y 4.8039 8.9300 121.1537 56.8901 40.7807 174.7000 70 I 4.3872 6.8527 126.4261 58.7428 38.2581 174.0041 71 P 4.3310 0.0000 0.0000 63.0389 32.3927 177.8261 72 G 4.0962 8.8798 106.2873 45.3238 0.0000 172.3231 73 E 4.4638 8.4720 120.0638 55.2552 32.0606 175.4536 74 G 4.1120 9.5633 113.7574 45.6544 0.0000 172.4307 75 H 4.6928 7.8990 112.9217 55.5274 30.7750 173.1127 76 N 5.0267 8.5292 110.8779 52.7089 37.1858 174.5256 77 L 4.6434 7.9251 116.9306 53.7881 44.7536 176.5368 78 Q 4.7313 8.7961 122.9076 53.4269 31.7165 175.9830 79 E 4.0885 8.7941 118.6686 59.0911 29.5040 176.7539 80 H 4.8843 7.9502 112.2361 55.5614 30.8857 173.3416 81 S 4.3804 8.2622 117.8607 58.3458 63.0429 175.0850 82 V 4.3213 9.1459 125.2888 62.2476 32.5396 175.0651 83 V 4.7485 7.2865 123.2243 61.7480 32.9653 169.7723 84 L 5.2726 7.9286 123.7097 53.4944 45.4608 174.7536 85 I 4.9244 8.9550 125.4673 60.0175 39.7614 175.5177 86 R 4.4660 10.0624 127.4982 58.0401 31.5266 176.4398 87 G 4.0219 9.8712 107.5280 45.9663 0.0000 171.8968 88 G 4.2221 7.6629 110.8053 43.8377 0.0000 171.6728 89 R 4.0558 8.1354 118.3463 55.6413 31.0620 176.5880 90 V 4.1008 7.8377 117.3493 61.7721 32.1231 176.9074 91 K 4.2540 8.2297 134.8580 55.0088 31.6221 176.2497 92 D 4.7163 10.6100 115.8678 54.3298 47.3800 173.7305 93 L 4.8368 7.4059 119.3237 50.7924 41.7537 172.1235 94 P 4.2591 0.0000 0.0000 63.5594 32.1401 174.8855 95 G 4.0865 8.9865 115.0991 46.2490 0.0000 174.2524 96 V 4.2127 7.5763 119.7265 61.4134 32.0402 175.7142 97 R 4.5575 8.4685 122.5457 55.8168 32.7502 174.2066 98 Y 5.0064 7.8358 116.0393 56.8442 42.7715 173.6019 99 H 5.3168 9.0558 118.1881 54.1762 32.2703 173.5199 100 I 4.5032 8.5496 122.9539 60.6842 37.9661 175.9937 101 V 3.7263 8.4201 127.9452 62.3576 31.6411 176.0807 102 R 3.8965 8.3631 128.2855 57.6114 30.4733 177.0074 103 G 3.9163 8.9675 110.6107 45.1768 0.0000 173.0232 104 V 4.0718 6.9116 117.3003 61.6865 34.9617 176.5901 105 Y 3.6063 8.1690 122.8906 59.2559 36.3200 172.5524 106 D 4.5694 9.0777 124.2151 55.8005 40.5578 176.0126 107 A 4.4466 8.4699 124.4622 49.8779 19.1086 177.1400 108 A 4.4449 8.7330 124.8871 53.0675 19.2673 177.9982 109 G 4.0256 8.1051 105.8949 45.4067 0.0000 172.3022 110 V 4.3901 7.9221 119.8808 61.0866 33.1460 176.5900 111 K 4.0838 8.6930 129.8414 57.3066 32.6547 176.1313 112 D 4.4414 8.8154 124.8844 54.9269 38.5560 173.4861 113 R 4.2874 7.4030 118.2359 55.6795 30.7640 176.3249 114 K 4.5953 8.2805 121.3353 56.8392 35.6996 179.2469 115 K 4.4846 7.6675 120.4487 55.0534 31.2385 178.3151 116 S 4.2347 8.7081 123.2740 59.8419 63.2074 174.3380 117 R 4.8168 8.4420 121.6079 54.7566 32.0270 176.6946 118 S 4.0512 7.8566 111.9978 61.6159 62.7789 173.7411 119 K 3.9924 7.7618 118.3555 58.4755 32.4660 177.6866 120 Y 3.6868 8.2787 119.3123 57.3750 35.8216 169.1832 121 G 3.9779 7.5950 108.9477 46.7191 0.0000 173.2221 122 T 4.6028 7.2351 112.7390 61.1985 70.6526 176.0262 123 K 4.1075 8.3470 124.8125 55.8853 32.7725 176.7183 124 K 4.0574 8.4060 123.1836 55.6956 32.3296 175.1711 125 P 4.5701 0.0000 0.0000 61.8177 32.5151 175.5247 126 K 4.2741 8.2174 120.4284 56.0255 32.9571 176.7523 127 E 4.0209 8.8009 124.2476 56.8769 30.2884 175.9830 128 A 3.4322 7.7226 120.4932 52.5033 15.2239 176.8120 *129 A 4.1172 7.7931 124.4907 51.7067 18.9464 177.1184 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 5 P 0.00 4.39 0.00 2.19 2.14 0.00 3.74 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 1.88 1.96 0.00 6 T 8.26 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 7 I 8.53 3.64 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 1.52 1.07 0.91 0.00 0.00 8 N 8.25 4.22 0.00 2.78 2.84 0.00 0.00 7.11 7.13 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 9 Q 7.86 4.01 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 10 L 8.02 4.05 0.00 1.90 1.71 0.97 0.65 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 11 V 7.65 3.66 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 0.87 0.00 0.00 0.96 0.00 0.00 12 R 8.20 3.87 0.00 1.97 1.72 0.00 3.24 0.00 0.00 3.22 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 13 K 5.74 3.84 0.00 1.89 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.96 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 0.00 0.00 0.00 0.00 15 R 8.24 4.15 0.00 1.81 1.87 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.35 4.53 0.00 1.90 1.83 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 2.20 2.26 0.00 17 K 8.48 4.08 0.00 1.75 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.58 3.41 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.07 4.03 0.00 1.95 1.99 0.00 3.18 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.35 4.67 0.00 1.85 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.34 7.81 21 K 8.27 4.20 0.00 1.74 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.54 4.11 0.00 3.85 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 23 K 8.37 3.74 0.00 1.71 1.76 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 24 V 7.83 4.03 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 0.98 0.00 0.00 0.70 0.00 0.00 25 P 0.00 4.53 0.00 2.14 2.21 0.00 3.82 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 2.14 2.01 0.00 26 A 7.60 4.01 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 27 L 6.95 4.12 0.00 1.76 1.62 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.59 4.21 0.00 1.74 1.81 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 29 G 7.86 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.21 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 31 P 0.00 4.01 0.00 2.10 1.94 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 32 F 7.55 5.05 0.00 2.89 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 33 R 8.83 4.75 0.00 1.88 1.64 0.00 3.31 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 34 R 8.47 4.95 0.00 2.05 1.76 0.00 2.63 0.00 0.00 2.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 35 G 8.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 4.76 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 1.00 0.00 0.00 0.89 0.00 0.00 37 C 8.57 4.94 0.00 3.07 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 38 T 9.06 4.09 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 1.27 0.00 0.00 39 V 7.70 4.55 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 0.94 0.00 0.00 0.94 0.00 0.00 40 V 8.38 4.57 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 0.90 0.00 0.00 0.92 0.00 0.00 41 R 8.60 4.87 0.00 1.92 1.78 0.00 3.18 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 42 T 8.26 5.29 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 43 V 8.14 4.33 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 0.87 0.00 0.00 1.03 0.00 0.00 44 T 8.14 5.01 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 1.27 0.00 0.00 45 P 0.00 4.56 0.00 1.95 2.29 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 46 K 8.36 4.56 0.00 1.93 1.21 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 47 K 8.32 3.80 0.00 1.76 1.51 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 48 P 0.00 4.67 0.00 2.20 2.11 0.00 3.80 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 1.90 1.95 0.00 49 N 7.29 4.76 0.00 2.62 2.81 0.00 0.00 6.64 7.45 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 50 S 7.41 4.46 0.00 3.79 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 51 A 7.58 4.33 1.27 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 0.00 0.00 0.00 52 L 8.26 4.97 0.00 1.51 1.60 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.71 4.30 0.00 1.92 2.15 0.00 3.25 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 54 K 8.88 4.46 0.00 1.75 1.79 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.57 7.81 55 V 8.61 5.00 2.16 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 1.09 0.00 0.00 1.20 0.00 0.00 56 A 8.70 5.23 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 57 K 8.83 4.53 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.46 7.81 58 V 9.12 4.72 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 1.06 0.00 0.00 0.99 0.00 0.00 59 R 9.64 4.49 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 60 L 8.33 4.77 0.00 1.60 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.08 4.05 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 1.27 0.00 0.00 62 S 8.07 4.44 0.00 4.45 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 0.00 63 G 8.39 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 64 Y 8.13 4.31 0.00 2.87 2.74 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 65 E 8.21 6.30 0.00 2.11 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 2.09 1.94 0.00 66 V 7.61 4.80 2.25 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 0.93 0.00 0.00 0.60 0.00 0.00 67 T 8.70 4.43 4.31 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 1.26 0.00 0.00 68 A 9.04 5.10 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 69 Y 8.93 4.80 0.00 2.91 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 70 I 6.85 4.39 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.46 0.78 0.00 0.00 71 P 0.00 4.33 0.00 1.75 1.75 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 72 G 8.88 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.47 4.46 0.00 1.92 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 2.22 2.28 0.00 74 G 9.56 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 0.00 0.00 0.00 0.00 75 H 7.90 4.69 0.00 3.20 3.28 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.53 5.03 0.00 2.82 2.85 0.00 0.00 5.66 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 77 L 7.93 4.64 0.00 1.47 1.55 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.80 4.73 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 79 E 8.79 4.09 0.00 1.98 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 0.00 2.35 2.43 0.00 80 H 7.95 4.88 0.00 3.07 3.25 0.00 5.95 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.26 4.38 0.00 3.90 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 82 V 9.15 4.32 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 0.60 0.00 0.00 0.89 0.00 0.00 83 V 7.29 4.75 2.12 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 0.64 0.00 0.00 0.95 0.00 0.00 84 L 7.93 5.27 0.00 1.65 1.32 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.95 4.92 2.09 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 1.05 1.01 0.90 0.00 0.00 86 R 10.06 4.47 0.00 1.94 2.14 0.00 3.39 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.15 0.00 87 G 9.87 4.02 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 0.00 0.00 0.00 88 G 7.66 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 89 R 8.14 4.06 0.00 1.82 1.87 0.00 3.02 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 90 V 7.84 4.10 1.90 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 0.68 0.00 0.00 0.59 0.00 0.00 91 K 8.23 4.25 0.00 1.69 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 10.61 4.72 0.00 2.68 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 93 L 7.41 4.84 0.00 1.65 1.53 0.89 1.06 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 94 P 0.00 4.26 0.00 2.02 2.03 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 95 G 8.99 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 0.00 0.00 0.00 96 V 7.58 4.21 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 1.07 0.00 0.00 0.98 0.00 0.00 97 R 8.47 4.56 0.00 1.17 1.25 0.00 3.08 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.69 0.00 98 Y 7.84 5.01 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.06 5.32 0.00 3.20 3.24 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 0.00 100 I 8.55 4.50 1.94 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 1.12 0.49 0.87 0.00 0.00 101 V 8.42 3.73 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 0.48 0.00 0.00 0.83 0.00 0.00 102 R 8.36 3.90 0.00 1.75 1.94 0.00 3.51 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 103 G 8.97 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 0.00 0.00 0.00 104 V 6.91 4.07 1.48 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 -0.11 0.00 0.00 0.62 0.00 0.00 105 Y 8.17 3.61 0.00 3.21 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 0.00 106 D 9.08 4.57 0.00 2.87 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 0.00 107 A 8.47 4.45 1.27 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 0.00 0.00 0.00 108 A 8.73 4.44 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 0.00 109 G 8.11 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 0.00 110 V 7.92 4.39 2.12 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 0.96 0.00 0.00 1.19 0.00 0.00 111 K 8.69 4.08 0.00 1.81 1.70 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 112 D 8.82 4.44 0.00 2.86 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 0.00 113 R 7.40 4.29 0.00 1.76 1.77 0.00 2.97 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 114 K 8.28 4.60 0.00 1.70 1.76 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.39 7.81 115 K 7.67 4.48 0.00 1.65 1.42 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 116 S 8.71 4.23 0.00 4.05 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 0.00 117 R 8.44 4.82 0.00 1.86 2.14 0.00 3.51 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 118 S 7.86 4.05 0.00 3.87 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 0.00 119 K 7.76 3.99 0.00 2.23 1.61 0.00 1.90 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.58 7.81 120 Y 8.28 3.69 0.00 3.10 3.24 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 0.00 121 G 7.59 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 0.00 122 T 7.24 4.60 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 1.25 0.00 0.00 123 K 8.35 4.11 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.41 4.06 0.00 1.69 1.73 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.57 0.00 2.21 2.02 0.00 3.80 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 1.97 1.94 0.00 126 K 8.22 4.27 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.60 7.81 127 E 8.80 4.02 0.00 1.99 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 0.00 2.29 2.24 0.00 128 A 7.72 3.43 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 *129 A 7.79 4.12 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 * Residues marked with a * may have inaccurate shift predictions.