NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2508 8.1727 120.1319 56.0240 34.4665 177.1568 8 L 3.9446 7.9014 120.3720 57.3681 41.7462 176.9758 9 D 4.3001 8.2235 119.0637 57.1727 41.1028 177.5541 10 F 4.1597 7.7207 121.1899 60.8439 39.3963 177.1077 11 S 3.9106 8.1375 112.1329 61.2708 62.1803 175.9232 12 V 3.5020 7.9303 120.7612 65.9350 31.1196 177.9673 13 A 3.7635 7.8483 120.2618 54.9823 18.1987 179.5252 14 V 3.2974 7.5421 117.1553 66.5304 31.4613 177.6663 15 H 4.1155 8.5267 118.0655 59.3641 29.5990 177.4239 16 S 4.1045 8.1880 116.9215 61.6293 62.6328 176.5836 17 I 3.7273 7.8847 122.6418 64.5453 36.6445 178.4906 18 L 4.0042 7.9086 118.5456 57.8190 41.7324 178.7332 19 Y 4.1290 8.3778 119.6322 60.8063 38.8292 178.0502 20 L 4.1328 8.5177 120.3460 57.8574 41.4700 179.0078 21 D 4.3693 8.2548 117.1383 56.8947 41.2223 177.3972 22 A 4.2032 7.5278 118.9493 52.9231 19.7562 176.7018 23 H 4.8598 7.9759 115.1136 54.9291 29.7568 175.5458 24 R 4.0758 7.9943 118.6439 58.7483 30.4736 177.9281 25 D 4.7110 8.0146 115.3443 53.7409 39.6623 176.0457 26 S 4.7209 7.7222 114.6263 56.9065 66.8319 173.3636 27 K 4.6031 8.5370 122.7650 55.6679 33.2977 176.3039 28 V 4.4439 8.7857 124.7141 60.8940 34.0756 175.0418 29 A 4.5132 8.5992 129.6268 51.5607 19.6421 178.0385 30 S 4.1449 8.9918 115.2362 62.1713 62.8299 177.6114 31 R 3.9430 7.9249 119.9996 59.0947 29.7561 178.6279 32 E 4.2053 7.9225 119.9368 58.7018 29.7122 178.5835 33 L 3.3781 7.6292 118.3936 57.5436 41.7877 179.3742 34 A 3.8365 8.2913 120.9749 55.1245 18.1781 179.2776 35 Q 3.8380 7.8817 116.6544 59.5472 28.6354 179.8829 36 S 3.9578 7.2430 111.7626 61.1844 62.5141 175.5794 37 L 3.8532 7.8034 119.3602 54.6693 42.4195 176.1876 38 H 4.0842 7.5886 115.5001 56.7220 26.5353 174.0257 39 L 4.8232 7.6273 116.0497 52.4725 46.1056 176.7446 40 N 4.4383 8.5429 119.2658 53.0047 39.8541 173.2500 41 P 4.3773 0.0000 0.0000 65.7200 31.5724 179.1750 42 V 3.8384 7.5738 117.1543 61.7900 31.0119 177.0897 *44 I 4.0432 7.8170 113.9170 61.2897 39.5945 177.1582 45 R 3.8798 7.8724 121.4869 59.5776 29.7213 177.7457 46 N 4.2811 8.0440 116.2410 56.8229 38.9960 176.7963 47 I 3.6451 7.6084 120.7023 64.3249 37.1758 178.2486 48 L 3.6447 7.8973 119.8714 57.5445 41.3014 179.5692 49 S 4.1836 8.0530 113.1532 61.4272 62.2785 176.3076 50 V 3.6979 7.9985 121.1160 66.0400 31.2436 178.0286 51 L 4.0238 8.1747 118.9215 57.9340 41.4904 178.6922 52 H 4.5706 8.3629 119.6734 58.9455 29.6377 177.4129 53 K 3.9586 8.4529 118.8066 59.0118 31.8316 178.0074 54 H 4.8488 8.0036 113.9902 55.2047 29.0409 175.7293 55 G 3.9668 7.9373 108.9655 45.6178 0.0000 174.6651 56 Y 4.1971 8.1860 118.3544 60.2062 38.1578 176.1787 57 L 5.2096 7.6938 117.8944 53.1310 46.5144 176.4008 58 T 4.4102 9.0163 112.9102 61.5597 70.8043 174.5064 59 G 4.5191 8.0224 108.7575 45.2636 0.0000 171.9006 60 T 4.1460 7.8286 114.2104 62.0257 70.6371 174.5092 61 V 4.0621 8.3324 124.7171 62.3966 33.1950 174.3205 62 G 3.7566 8.6725 111.3774 43.8817 0.0000 172.2704 63 K 3.9834 8.6369 122.1056 57.9329 32.4763 177.1390 64 N 4.1522 9.0276 121.2907 53.9582 36.3908 174.7560 65 G 3.9000 7.7606 108.2465 44.9169 0.0000 172.9744 66 G 3.9839 7.3885 106.5333 43.5838 0.0000 172.2239 67 Y 4.8097 8.1889 117.9081 57.7085 39.4998 175.1449 68 Q 4.8484 9.0502 122.5591 54.6557 33.2723 172.8118 69 L 5.0186 8.6482 127.4531 53.1695 43.6955 175.4499 70 D 4.8772 8.7470 123.4459 52.7209 40.4030 174.6306 71 L 4.6965 7.8628 118.1987 53.0846 44.8790 175.3033 72 A 4.5133 8.1173 122.3792 50.9742 19.7608 178.6015 73 L 4.0310 8.7240 122.4125 57.8482 41.8874 178.8668 74 A 4.1396 8.0283 119.9996 54.6101 18.8064 177.7214 75 D 4.5332 7.6023 117.9247 52.8497 39.5231 175.3100 *77 N 4.6699 7.7084 117.9926 53.1229 41.0974 173.7469 78 L 4.2771 8.9744 129.8738 58.2025 42.1932 179.4815 79 G 3.2537 8.1758 105.4289 47.5424 0.0000 175.0936 80 D 4.4888 8.3205 121.4617 57.2233 40.8626 178.8268 81 L 3.9847 8.2320 120.5735 58.2986 42.0833 178.2414 82 Y 3.6206 8.3389 119.6851 60.8759 38.7483 177.9883 83 D 4.4749 8.4944 119.9728 57.1025 40.6463 178.6353 84 L 3.9228 7.8356 120.4245 58.3869 42.0111 178.8142 85 T 4.1957 8.0869 109.5427 62.8417 69.8920 173.7098 86 I 4.5757 7.3941 122.0131 58.0044 37.3619 172.9781 87 P 4.9266 0.0000 0.0000 60.8095 32.2456 174.9083 88 P 4.3765 0.0000 0.0000 62.9981 31.7837 176.6487 89 T 3.8823 8.4302 119.6362 63.9678 68.9814 173.8550 90 I 4.1000 8.2096 126.9782 63.2167 38.2194 175.9885 91 S 4.4030 7.7693 114.1006 58.0966 62.7167 172.9454 92 Y 4.5946 8.6810 123.9529 57.7654 38.4481 177.0616 93 A 4.0754 7.9940 126.4971 55.4206 18.4515 181.0285 94 R 3.8333 7.7600 110.5171 58.4479 29.4698 177.2494 95 F 5.0351 8.0630 115.7330 57.0752 39.3811 175.2435 96 I 4.6826 7.6195 122.1256 59.6283 39.5074 175.8189 97 T 4.3107 8.4385 114.9428 61.0493 70.9575 174.2583 98 G 3.7508 8.4653 108.1548 44.1817 0.0000 170.9960 99 P 4.5398 0.0000 0.0000 62.2514 32.4594 174.6950 100 S 4.6034 8.2055 115.5455 56.5436 65.3018 174.3704 101 K 4.0280 8.3126 121.6024 54.1596 30.9278 173.6907 *106 A 4.4348 8.6591 130.4041 51.5850 20.1706 177.9169 107 D 4.9990 7.7973 111.3698 52.7992 40.7817 177.9024 108 Q 4.1787 8.1359 119.5025 56.5015 29.3467 177.4214 109 S 4.3075 8.5774 117.3690 57.6523 64.7328 173.4857 110 P 4.1977 0.0000 0.0000 66.1660 31.0852 178.9128 111 I 3.6242 7.6837 117.3712 64.4570 37.0485 178.0709 112 A 4.0011 7.8352 119.9746 55.3245 18.2383 179.2612 113 A 4.1240 8.3308 118.4177 54.2023 18.7778 178.4526 114 N 4.8720 7.6294 112.8006 53.2305 40.4995 176.6614 115 I 3.6298 7.6929 120.7153 64.0184 38.0234 177.7312 116 S 4.0784 7.9826 113.5508 61.3690 62.3096 175.6287 117 E 3.9405 8.0789 121.5643 59.4067 29.4301 178.6350 118 T 3.7669 7.7931 115.7895 66.7622 68.5481 176.6718 119 L 3.4085 8.0146 121.0102 57.6019 41.4928 179.6116 120 T 3.9046 7.9349 115.8223 66.7556 68.3515 176.3439 121 D 4.2955 7.9651 120.6155 57.2108 40.8587 178.1655 122 L 3.8079 7.7550 120.8677 58.6117 41.8776 179.1960 123 F 4.2939 7.9705 117.6113 60.7230 38.6728 177.9994 124 T 4.0100 7.9741 115.4604 66.6268 68.3088 176.9455 125 V 3.5949 8.1285 120.2947 65.9727 31.5692 177.8516 126 A 4.0086 8.1457 120.4942 55.3423 18.1566 179.1558 127 D 4.4431 8.5301 116.7698 57.5049 41.1873 178.6841 128 R 4.0010 8.2188 118.8843 59.2147 29.8178 178.7658 129 Q 3.9750 8.0110 118.6761 59.1004 29.2855 177.3210 130 Y 4.2773 8.2062 120.6011 61.0201 38.7844 178.4848 131 R 3.8979 8.5573 118.9924 58.9627 30.2061 178.6448 132 A 3.9918 8.3839 121.1111 55.3085 18.0850 178.8880 133 Y 3.9521 7.6813 117.4887 61.3174 38.8555 178.3368 134 Y 3.9865 7.4623 117.3430 61.1090 37.6840 177.9158 135 H 4.4607 7.6444 114.6797 58.2202 28.7984 177.3003 136 Q 3.8364 7.2896 119.3063 56.6385 28.6538 175.5880 137 F 5.4095 7.5331 117.9725 55.7661 44.3085 177.4326 138 T 4.7466 9.4641 111.8683 62.1879 68.3263 175.9875 *140 A 4.3212 9.0192 123.1350 52.1456 20.6817 179.4546 141 D 4.3120 7.9724 115.7695 57.3777 40.8155 178.8574 142 L 4.1782 7.9946 120.4646 58.2366 42.2272 178.7068 143 Q 3.9492 8.1517 118.8697 59.0077 28.9907 177.7153 144 A 3.9122 8.1639 122.0450 55.4136 18.0987 179.1723 145 D 4.3300 7.7559 117.5987 56.7894 41.0355 178.0014 146 L 3.8802 7.7252 119.8115 58.2140 42.0683 178.2762 147 N 4.7716 7.8619 115.0538 54.0905 39.1935 174.3794 148 H 4.6500 8.3814 120.9508 53.8343 30.5073 172.2340 149 H 4.3140 7.6133 122.4949 56.4140 29.2719 176.3638 150 G 3.9981 8.8847 110.3849 45.9421 0.0000 175.5442 151 T 3.7073 7.8071 117.1949 66.5733 68.4355 176.4832 152 F 4.3795 8.3961 119.8113 60.4861 38.9103 177.8008 153 L 4.0795 7.9831 118.3395 57.7395 41.4673 179.1242 154 Q 3.9803 8.3610 119.7315 59.4925 29.0068 177.7802 155 H 4.3101 8.2637 117.2642 58.9661 28.8007 177.2642 156 E 4.0081 8.3926 120.8484 59.4812 29.3205 178.6298 157 Q 4.0448 7.8927 116.5118 59.4628 28.9363 178.7626 158 D 4.5350 8.3547 118.5132 57.4239 40.8504 178.8456 159 S 4.3696 8.1580 117.6180 61.9371 63.0057 175.3231 160 E 4.3016 8.1102 124.3243 58.6857 29.6270 178.6130 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 7 K 8.17 4.25 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 8 L 7.90 3.94 0.00 1.84 1.67 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.22 4.30 0.00 2.67 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 10 F 7.72 4.16 0.00 2.78 2.96 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 11 S 8.14 3.91 0.00 3.98 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 12 V 7.93 3.50 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 0.85 0.00 0.00 0.90 0.00 0.00 13 A 7.85 3.76 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.54 3.30 1.74 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 0.87 0.00 0.00 0.08 0.00 0.00 15 H 8.53 4.12 0.00 3.27 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.19 4.10 0.00 3.95 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 17 I 7.88 3.73 1.97 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 1.53 0.60 0.96 0.00 0.00 18 L 7.91 4.00 0.00 1.80 1.75 0.90 0.72 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 19 Y 8.38 4.13 0.00 3.26 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 20 L 8.52 4.13 0.00 1.79 1.79 0.99 1.05 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 21 D 8.25 4.37 0.00 2.74 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 22 A 7.53 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.98 4.86 0.00 3.12 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.99 4.08 0.00 1.79 2.00 0.00 3.19 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 25 D 8.01 4.71 0.00 2.79 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 26 S 7.72 4.72 0.00 4.06 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 27 K 8.54 4.60 0.00 1.63 1.72 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81 28 V 8.79 4.44 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 1.19 0.00 0.00 1.09 0.00 0.00 29 A 8.60 4.51 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 30 S 8.99 4.14 0.00 3.90 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 31 R 7.92 3.94 0.00 1.84 1.96 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 32 E 7.92 4.21 0.00 2.02 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 2.29 2.25 0.00 33 L 7.63 3.38 0.00 1.79 1.50 0.91 0.56 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 34 A 8.29 3.84 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 35 Q 7.88 3.84 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 36 S 7.24 3.96 0.00 3.50 3.46 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 37 L 7.80 3.85 0.00 1.54 1.57 0.60 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.59 4.08 0.00 3.24 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.63 4.82 0.00 1.55 1.46 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.54 4.44 0.00 2.67 2.70 0.00 0.00 7.03 7.69 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 41 P 0.00 4.38 0.00 2.20 2.08 0.00 3.65 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 2.10 2.06 0.00 42 V 7.57 3.84 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 0.75 0.00 0.00 0.92 0.00 0.00 *44 I 7.82 4.04 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.84 0.00 0.00 45 R 7.87 3.88 0.00 2.04 1.97 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 46 N 8.04 4.28 0.00 2.86 2.77 0.00 0.00 7.19 7.76 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 47 I 7.61 3.65 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.78 0.00 0.00 48 L 7.90 3.64 0.00 1.44 0.66 0.75 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.05 4.18 0.00 3.99 4.15 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 50 V 8.00 3.70 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 0.99 0.00 0.00 0.96 0.00 0.00 51 L 8.17 4.02 0.00 1.79 1.68 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.36 4.57 0.00 3.54 3.66 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.45 3.96 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 54 H 8.00 4.85 0.00 3.39 3.48 0.00 5.85 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 55 G 7.94 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 56 Y 8.19 4.20 0.00 3.11 3.06 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 57 L 7.69 5.21 0.00 1.72 1.67 0.74 0.77 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 58 T 9.02 4.41 4.29 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 1.27 0.00 0.00 59 G 8.02 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.15 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 1.18 0.00 0.00 61 V 8.33 4.06 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 0.75 0.00 0.00 0.86 0.00 0.00 62 G 8.67 3.76 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 0.00 0.00 0.00 63 K 8.64 3.98 0.00 1.71 1.73 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 64 N 9.03 4.15 0.00 2.89 2.87 0.00 0.00 7.08 7.65 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 65 G 7.76 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 66 G 7.39 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 67 Y 8.19 4.81 0.00 3.06 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 68 Q 9.05 4.85 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 69 L 8.65 5.02 0.00 1.73 1.58 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.75 4.88 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 71 L 7.86 4.70 0.00 1.65 1.61 0.92 0.81 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 72 A 8.12 4.51 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 73 L 8.72 4.03 0.00 1.68 1.89 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.03 4.14 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 75 D 7.60 4.53 0.00 2.82 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 *77 N 7.71 4.67 0.00 2.84 2.97 0.00 0.00 6.69 6.66 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 78 L 8.97 4.28 0.00 2.13 2.09 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.18 3.25 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 80 D 8.32 4.49 0.00 3.04 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 81 L 8.23 3.98 0.00 1.88 2.05 0.46 0.55 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 82 Y 8.34 3.62 0.00 2.36 2.70 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 83 D 8.49 4.47 0.00 2.80 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 84 L 7.84 3.92 0.00 1.74 1.85 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.09 4.20 4.17 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 1.15 0.00 0.00 86 I 7.39 4.58 1.04 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.25 0.80 0.00 0.00 87 P 0.00 4.93 0.00 2.02 1.98 0.00 3.69 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 88 P 0.00 4.38 0.00 2.09 2.09 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 89 T 8.43 3.88 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 0.67 0.00 0.00 90 I 8.21 4.10 1.86 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 1.32 0.43 0.94 0.00 0.00 91 S 7.77 4.40 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 4.59 0.00 3.34 3.35 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 93 A 7.99 4.08 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 94 R 7.76 3.83 0.00 1.77 1.78 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.23 0.00 95 F 8.06 5.04 0.00 3.29 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 96 I 7.62 4.68 2.01 0.00 0.00 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 1.64 1.18 0.98 0.00 0.00 97 T 8.44 4.31 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 1.26 0.00 0.00 98 G 8.47 3.75 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 0.00 99 P 0.00 4.54 0.00 2.20 2.09 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 100 S 8.21 4.60 0.00 3.98 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 0.00 101 K 8.31 4.03 0.00 1.80 1.68 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *106 A 8.66 4.43 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 0.00 107 D 7.80 5.00 0.00 2.68 2.51 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 0.00 108 Q 8.14 4.18 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 109 S 8.58 4.31 0.00 4.04 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 0.00 110 P 0.00 4.20 0.00 2.17 2.18 0.00 3.59 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 2.12 2.21 0.00 111 I 7.68 3.62 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 1.56 0.58 0.91 0.00 0.00 112 A 7.84 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 0.00 113 A 8.33 4.12 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 0.00 114 N 7.63 4.87 0.00 2.85 2.80 0.00 0.00 6.47 7.26 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 0.00 115 I 7.69 3.63 1.98 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 1.41 1.47 1.00 0.00 0.00 116 S 7.98 4.08 0.00 3.96 3.86 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 0.00 0.00 0.00 117 E 8.08 3.94 0.00 2.08 1.91 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 2.36 2.40 0.00 118 T 7.79 3.77 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 1.11 0.00 0.00 119 L 8.01 3.41 0.00 1.56 0.94 0.90 0.62 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 0.00 120 T 7.93 3.90 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 1.39 0.00 0.00 121 D 7.97 4.30 0.00 2.78 2.67 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 0.00 122 L 7.75 3.81 0.00 1.63 1.37 0.84 0.75 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 0.00 123 F 7.97 4.29 0.00 2.11 1.65 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 0.00 124 T 7.97 4.01 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 1.34 0.00 0.00 125 V 8.13 3.59 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 1.02 0.00 0.00 0.96 0.00 0.00 126 A 8.15 4.01 1.41 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 0.00 127 D 8.53 4.44 0.00 3.04 2.98 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 0.00 128 R 8.22 4.00 0.00 2.11 2.01 0.00 3.22 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 129 Q 8.01 3.97 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 130 Y 8.21 4.28 0.00 3.06 3.18 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 0.00 131 R 8.56 3.90 0.00 1.99 2.07 0.00 3.42 0.00 0.00 3.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 132 A 8.38 3.99 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 0.00 133 Y 7.68 3.95 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.46 3.99 0.00 2.74 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 0.00 135 H 7.64 4.46 0.00 3.29 3.34 0.00 5.66 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 0.00 136 Q 7.29 3.84 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 137 F 7.53 5.41 0.00 3.15 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 0.00 138 T 9.46 4.75 4.47 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 1.33 0.00 0.00 *140 A 9.02 4.32 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 0.00 141 D 7.97 4.31 0.00 3.04 2.70 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 0.00 142 L 7.99 4.18 0.00 1.98 1.77 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.15 3.95 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 144 A 8.16 3.91 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 0.00 145 D 7.76 4.33 0.00 2.08 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 0.00 146 L 7.73 3.88 0.00 1.86 1.84 0.94 0.81 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 0.00 147 N 7.86 4.77 0.00 2.72 2.82 0.00 0.00 6.75 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 0.00 148 H 8.38 4.65 0.00 3.07 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.61 4.31 0.00 3.14 3.19 0.00 5.80 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 0.00 150 G 8.88 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 0.00 151 T 7.81 3.71 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 0.82 0.00 0.00 152 F 8.40 4.38 0.00 3.09 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 0.00 153 L 7.98 4.08 0.00 1.87 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.36 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 155 H 8.26 4.31 0.00 3.64 3.57 0.00 5.68 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 0.00 156 E 8.39 4.01 0.00 2.17 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 0.00 2.35 2.40 0.00 157 Q 7.89 4.04 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 158 D 8.35 4.53 0.00 2.83 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 0.00 159 S 8.16 4.37 0.00 4.07 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 0.00 160 E 8.11 4.30 0.00 2.08 1.76 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 2.27 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.