NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5601 8.2233 120.1830 53.7988 41.7088 175.8096 5 I 3.6469 8.2563 129.2629 64.1717 37.1562 177.4394 6 Q 4.0247 8.3231 121.3544 60.3161 28.3554 180.4681 7 R 4.1734 8.1603 120.4842 59.0664 30.0350 178.9075 8 G 3.3628 8.3312 105.7353 47.4313 0.0000 175.6144 9 A 3.0696 7.8753 123.4916 54.8956 17.8707 179.8220 10 T 3.7520 7.5976 114.0158 66.7527 68.5338 176.6914 11 L 3.9285 7.7585 122.2149 57.9802 42.1206 178.6998 12 F 3.9939 8.2368 120.8807 61.3259 39.0547 176.8261 13 N 4.4558 8.2857 115.5893 55.9895 38.4090 176.8598 14 R 4.1922 7.5494 114.7681 57.4284 30.2769 177.5806 15 A 4.4576 7.8013 119.0513 52.2820 20.1655 177.0928 16 C 4.3180 7.8470 114.9844 60.8993 30.7708 177.2581 17 I 3.5192 7.2614 116.7154 62.4199 35.3714 180.9684 18 A 4.0988 7.8912 121.8788 55.1848 18.5911 178.1218 19 C 4.2338 7.9781 112.6897 61.6509 29.6981 174.1604 20 H 5.2960 8.1106 116.8712 53.7279 28.0717 174.8186 21 D 4.7489 7.9982 119.7240 54.1191 39.9083 177.0289 22 T 3.6053 9.8894 115.2059 62.3612 67.7657 172.9663 23 G 2.0000 7.7921 108.6471 45.4342 0.0000 174.4834 24 G 4.0547 7.4016 112.2011 45.2476 0.0000 173.7077 25 N 4.6900 8.2832 120.3989 53.1407 40.2617 175.6698 26 I 3.8889 8.5968 120.4135 62.1166 38.4372 176.7759 27 I 4.0708 7.4909 121.4033 62.4195 38.1725 175.5578 28 Q 4.3611 8.5326 123.7733 53.0633 29.8523 172.4483 29 P 4.3794 0.0000 0.0000 63.8077 31.9087 177.4490 30 G 3.9900 9.1338 109.5334 45.2865 0.0000 173.3985 31 A 4.7778 7.2920 122.3011 51.6360 19.2155 175.9213 32 T 4.4758 8.0077 111.8184 62.1457 70.2904 174.4827 33 L 4.5207 8.1798 119.6474 54.8370 41.8663 178.0549 34 F 4.5889 7.9378 118.8425 57.2751 40.7269 176.1711 35 T 3.9692 8.9100 118.9769 67.0826 68.3110 176.5690 36 K 3.9548 8.1867 120.6096 59.7021 32.2634 178.4320 37 D 4.3991 8.1409 118.6116 57.2343 40.8411 178.3945 38 L 4.0629 8.1081 119.5086 57.9942 41.7314 179.5240 39 E 3.9761 8.5715 118.7219 59.5278 29.2186 179.5006 40 R 4.0088 7.9341 117.4784 58.7964 30.1816 177.2337 41 N 4.8339 8.1122 114.0543 52.3310 38.7702 175.2475 42 G 3.9799 7.9533 108.0623 46.7261 0.0000 174.6758 43 V 4.5401 8.1126 110.2658 60.9146 33.3867 175.6199 44 D 4.7973 8.1704 118.0469 54.2723 41.1720 176.4101 45 T 4.7691 7.3814 108.1451 58.9439 73.6122 173.0852 46 E 4.0520 8.8817 123.1774 59.6875 29.6274 179.1727 47 E 4.0737 8.1447 117.1078 59.4813 29.7817 178.8631 48 E 4.1134 8.3191 119.5222 59.0630 29.5883 179.2273 49 I 3.8049 8.3820 120.4015 64.4619 37.0923 177.7912 50 Y 4.0211 8.5718 120.7894 60.7560 38.5861 178.1407 51 R 4.1998 8.3311 119.6640 59.7097 30.2194 178.2963 52 Q 4.1085 8.4765 119.4165 59.5116 29.0255 178.2370 53 T 4.0428 8.2065 116.9870 66.5308 68.3213 176.1825 54 Y 3.5833 8.2140 121.7818 60.3352 38.6781 177.1974 55 F 4.6626 8.5373 116.0575 56.2029 40.2490 176.9027 56 G 3.9628 9.6477 105.5891 45.1206 0.0000 172.5496 57 K 4.2344 9.1767 115.2551 56.7106 36.7021 174.5378 58 G 3.9256 8.4650 115.4619 47.4049 0.0000 174.3839 59 R 4.1684 8.7078 123.0766 56.0667 30.1721 175.5207 60 M 4.2942 8.2856 120.5608 53.8331 32.0213 173.9693 61 P 4.5474 0.0000 0.0000 62.1366 32.4371 176.5553 62 G 3.7993 8.3464 110.4480 45.2588 0.0000 174.4806 63 F 4.4415 8.9377 120.2205 56.6655 40.7672 176.3495 64 G 2.1743 7.3323 110.9979 44.2785 0.0000 174.7850 65 E 3.8245 8.2262 120.7501 58.7354 29.6045 178.3790 66 K 4.5463 8.0575 115.6411 56.0208 32.3298 175.6698 67 C 4.5085 7.5578 119.7584 57.3845 43.9322 172.9401 68 T 4.5835 8.0926 118.2157 60.4293 69.8823 171.1712 69 P 4.5647 0.0000 0.0000 61.9072 32.8181 176.9572 70 R 3.8161 8.8635 119.4227 59.7308 29.9038 178.7463 71 G 3.6728 8.1010 105.2250 47.9987 0.0000 173.8392 72 Q 4.2004 8.2331 116.5830 56.3898 29.2554 174.5678 73 C 5.1041 7.1966 115.5257 54.6994 42.9325 173.4434 74 T 3.4945 7.6591 116.2953 62.8968 67.0033 174.1131 75 F 4.6245 8.3037 124.9697 58.1720 39.6290 176.3284 76 G 3.9939 7.7257 110.0356 43.8390 0.0000 171.6575 77 P 4.3994 0.0000 0.0000 62.3528 31.8551 176.8154 78 R 4.2945 8.2592 120.4732 56.3110 30.9383 175.9172 79 L 4.6901 8.3851 121.6357 53.5552 43.2513 177.0732 80 Q 4.1532 9.2315 121.8399 55.9425 29.6643 177.0938 81 D 4.5912 9.1522 121.8177 58.1237 40.8977 179.2314 82 E 4.0027 8.2355 118.8670 59.2385 29.6216 178.5799 83 E 3.9950 8.1225 118.3594 59.4390 29.5824 179.1952 84 I 3.6626 7.8250 119.9528 63.9009 37.0283 178.3372 85 K 4.2212 8.6319 120.9162 59.5638 32.0108 178.3954 86 L 3.9845 8.0821 120.5160 58.3541 41.9265 178.9902 87 L 4.1175 8.2311 118.5992 57.7856 41.5863 179.4106 88 A 4.1267 8.5963 121.1460 55.2217 18.2929 179.4422 89 E 3.9670 8.5086 117.2627 59.5394 29.4812 179.4438 90 F 4.0683 8.5687 120.7849 61.2666 39.4282 177.2610 91 V 3.3758 8.3216 118.2869 65.8483 31.2976 177.8294 92 K 3.8602 8.1178 119.2889 59.3763 32.1365 178.4981 93 F 3.9984 8.2413 121.0145 61.4120 39.3132 177.1585 94 Q 2.8650 7.4756 117.6715 58.2365 28.0808 178.6438 95 A 3.7358 7.4625 122.0246 55.2202 18.2347 179.3664 96 D 4.2369 7.6837 116.2294 57.3460 40.9431 178.4129 97 Q 4.0372 7.1220 115.8626 55.6757 28.9097 176.5558 98 G 3.8187 7.4373 108.0315 45.6102 0.0000 174.0429 99 W 3.1696 7.7372 116.4229 56.3688 26.5778 173.0872 100 P 4.3943 0.0000 0.0000 62.9097 31.9511 176.5213 101 T 4.5466 8.3328 114.0143 60.4664 71.2381 175.2802 *102 V 3.9054 8.2209 119.1763 61.2149 32.3498 175.4491 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 4.56 0.00 2.66 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 5 I 8.26 3.65 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.36 1.02 0.00 0.00 6 Q 8.32 4.02 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 7 R 8.16 4.17 0.00 2.02 2.05 0.00 3.04 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 8 G 8.33 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 0.00 0.00 0.00 9 A 7.88 3.07 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.60 3.75 4.32 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 1.18 0.00 0.00 11 L 7.76 3.93 0.00 1.80 1.56 0.85 0.89 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 12 F 8.24 3.99 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 13 N 8.29 4.46 0.00 2.95 2.91 0.00 0.00 7.04 7.19 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 14 R 7.55 4.19 0.00 1.96 2.01 0.00 3.01 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 15 A 7.80 4.46 1.06 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 0.00 0.00 16 C 7.85 4.32 0.00 1.38 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 17 I 7.26 3.52 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 1.35 0.73 0.91 0.00 0.00 18 A 7.89 4.10 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 19 C 7.98 4.23 0.00 2.81 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 20 H 8.11 5.30 0.00 3.19 3.19 0.00 5.63 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 21 D 8.00 4.75 0.00 2.83 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 22 T 9.89 3.61 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 1.29 0.00 0.00 23 G 7.79 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.40 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 0.00 0.00 0.00 25 N 8.28 4.69 0.00 2.84 2.78 0.00 0.00 6.70 7.82 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 26 I 8.60 3.89 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.95 0.00 0.00 27 I 7.49 4.07 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.90 0.00 0.00 28 Q 8.53 4.36 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 29 P 0.00 4.38 0.00 2.08 1.98 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 30 G 9.13 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 0.00 0.00 0.00 31 A 7.29 4.78 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 32 T 8.01 4.48 4.59 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 1.32 0.00 0.00 33 L 8.18 4.52 0.00 1.25 1.91 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.94 4.59 0.00 3.13 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 35 T 8.91 3.97 4.33 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 1.30 0.00 0.00 36 K 8.19 3.95 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 37 D 8.14 4.40 0.00 2.98 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 38 L 8.11 4.06 0.00 1.92 1.79 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.57 3.98 0.00 2.24 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 2.36 2.57 0.00 40 R 7.93 4.01 0.00 2.03 1.99 0.00 3.26 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 41 N 8.11 4.83 0.00 2.87 2.86 0.00 0.00 7.04 6.94 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 42 G 7.95 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 43 V 8.11 4.54 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 0.88 0.00 0.00 0.99 0.00 0.00 44 D 8.17 4.80 0.00 2.74 2.66 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 45 T 7.38 4.77 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 1.23 0.00 0.00 46 E 8.88 4.05 0.00 2.06 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 2.47 2.38 0.00 47 E 8.14 4.07 0.00 2.25 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 0.00 2.39 2.43 0.00 48 E 8.32 4.11 0.00 2.22 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 2.38 2.53 0.00 49 I 8.38 3.80 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.10 1.02 0.00 0.00 50 Y 8.57 4.02 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 51 R 8.33 4.20 0.00 2.25 2.09 0.00 3.58 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 52 Q 8.48 4.11 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 53 T 8.21 4.04 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 1.10 0.00 0.00 54 Y 8.21 3.58 0.00 2.75 2.59 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 55 F 8.54 4.66 0.00 3.18 3.14 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 0.00 56 G 9.65 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.18 4.23 0.00 1.79 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.33 7.81 58 G 8.47 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 59 R 8.71 4.17 0.00 1.81 1.96 0.00 3.20 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 M 8.29 4.29 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 61 P 0.00 4.55 0.00 1.31 1.56 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 62 G 8.35 3.80 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 0.00 0.00 0.00 63 F 8.94 4.44 0.00 2.96 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 64 G 7.33 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.23 3.82 0.00 2.00 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 2.44 2.29 0.00 66 K 8.06 4.55 0.00 2.04 1.98 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 67 C 7.56 4.51 0.00 2.82 2.92 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 68 T 8.09 4.58 4.43 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 1.32 0.00 0.00 69 P 0.00 4.56 0.00 2.27 2.18 0.00 4.02 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 2.08 1.96 0.00 70 R 8.86 3.82 0.00 1.90 2.07 0.00 3.24 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 71 G 8.10 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.23 4.20 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 73 C 7.20 5.10 0.00 2.75 2.88 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 74 T 7.66 3.49 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 1.00 0.00 0.00 75 F 8.30 4.62 0.00 3.07 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 76 G 7.73 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 0.00 0.00 0.00 77 P 0.00 4.40 0.00 2.07 2.00 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 78 R 8.26 4.29 0.00 1.82 1.88 0.00 3.38 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 79 L 8.39 4.69 0.00 1.44 1.52 0.57 1.20 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 80 Q 9.23 4.15 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 81 D 9.15 4.59 0.00 2.87 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 82 E 8.24 4.00 0.00 2.07 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 0.00 2.40 2.43 0.00 83 E 8.12 3.99 0.00 2.20 1.94 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 2.38 2.40 0.00 84 I 7.82 3.66 1.67 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 1.23 0.68 0.15 0.00 0.00 85 K 8.63 4.22 0.00 2.02 2.09 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.51 7.81 86 L 8.08 3.98 0.00 1.94 1.89 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.23 4.12 0.00 1.96 1.79 0.81 0.94 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 88 A 8.60 4.13 1.64 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 0.00 0.00 89 E 8.51 3.97 0.00 2.24 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 2.37 2.52 0.00 90 F 8.57 4.07 0.00 3.18 3.28 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 91 V 8.32 3.38 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 1.20 0.00 0.00 1.32 0.00 0.00 92 K 8.12 3.86 0.00 2.02 1.93 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 93 F 8.24 4.00 0.00 3.03 2.97 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 94 Q 7.48 2.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 A 7.46 3.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.68 4.24 0.00 2.55 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 97 Q 7.12 4.04 0.00 1.53 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.27 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 98 G 7.44 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 0.00 0.00 0.00 99 W 7.74 3.17 0.00 3.22 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 0.00 100 P 0.00 4.39 0.00 2.01 1.96 0.00 3.34 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 101 T 8.33 4.55 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 1.31 0.00 0.00 *102 V 8.22 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.