NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.7201 8.4244 118.2205 52.5007 38.6957 172.3717 16 L 4.0493 8.5061 120.3205 53.6645 42.3113 174.8532 17 N 4.0938 8.5510 125.6016 52.5182 38.8681 174.6100 18 I 3.9391 8.2535 119.9517 62.2404 38.4732 177.3677 19 A 4.1232 7.9732 124.2579 54.4217 18.7327 176.8418 20 Y 4.4412 7.5947 116.8146 59.2933 38.9974 175.6920 21 A 3.4358 8.3352 128.1999 52.7503 16.8644 177.3933 22 K 4.2833 7.6645 116.9656 56.0352 33.1652 175.2946 23 P 4.5287 0.0000 0.0000 63.3663 32.2148 175.6387 24 T 5.0290 8.3174 112.5725 60.2996 72.2260 172.6080 25 T 4.8798 8.4205 112.0832 60.6709 72.9343 172.0175 26 Q 4.3074 8.0204 118.8788 54.6084 31.8187 175.3764 27 S 3.1555 7.4663 114.4207 60.8658 63.4163 174.1696 28 S 4.4315 6.9486 113.0629 57.7632 64.8441 174.5449 29 V 4.6941 8.1651 119.0887 59.8996 33.8099 174.3869 30 D 4.6218 8.5239 120.8533 53.5891 44.3311 174.2072 31 Y 3.7807 8.7541 118.2570 59.1211 35.5348 170.6051 32 N 4.2498 8.5423 112.0820 54.4005 37.0124 175.8995 33 G 4.1308 8.2817 107.7312 44.1082 0.0000 174.2679 34 D 4.7084 7.8648 119.2623 54.2039 42.2905 177.1362 35 P 4.8797 0.0000 0.0000 65.3078 31.2740 178.3539 36 N 4.5691 8.3136 116.3017 55.5287 36.9181 177.0359 37 R 3.9957 8.0358 119.8560 58.7926 30.4019 177.7386 38 A 4.4760 8.1149 118.6012 52.6985 18.5284 178.2253 39 V 4.8055 7.9428 111.5711 61.1567 32.6711 176.4302 40 D 4.8050 8.5857 117.7213 53.1406 39.6375 177.6972 41 G 3.8889 8.9611 108.2990 45.5733 0.0000 172.9324 42 N 4.7557 8.0764 118.4576 51.7083 39.9379 174.5657 43 R 3.7283 8.3143 124.2023 56.6564 30.6269 176.3565 44 N 4.1575 8.2498 117.8268 54.2913 39.1353 174.5767 45 G 3.9287 8.5956 112.6266 44.9235 0.0000 172.2281 46 N 4.9433 7.8765 120.3110 52.7032 39.6409 175.1516 47 F 3.9507 9.5462 129.1422 61.3835 39.6228 176.7795 48 N 4.4654 8.2254 116.3018 55.4557 38.4626 176.2095 49 S 4.0513 7.8431 112.8015 59.4803 63.1832 175.6187 50 G 3.6628 7.9604 108.4489 45.4957 0.0000 173.7039 51 S 4.6296 7.5992 112.0065 57.4087 62.7353 173.6772 52 V 4.7111 7.0272 119.0267 61.8092 34.0100 175.2599 53 T 4.4691 8.7187 118.1946 62.1114 71.0629 172.7852 54 H 5.0577 9.3019 117.9345 56.6573 33.8743 173.3750 55 T 5.0356 8.3106 116.3372 59.3565 71.1206 173.9569 56 R 4.2272 8.8319 121.1899 55.8196 32.0014 176.7661 57 A 4.5821 8.4179 121.8087 51.5137 17.2693 176.6683 58 D 4.7206 8.7982 122.7877 52.6143 44.3172 175.5122 59 N 5.3485 8.6362 114.7027 49.9107 38.1112 172.1970 60 P 4.9578 0.0000 0.0000 60.7401 34.5045 176.0584 61 S 4.5250 8.3172 114.2153 58.5360 63.9991 173.6796 62 W 5.7774 8.2492 119.0187 55.5368 31.9988 173.0556 63 W 5.7254 9.7817 129.9200 56.1948 34.3027 173.2468 64 E 5.0345 8.5488 125.5404 54.5621 33.1957 173.9912 65 V 4.4178 8.1410 125.2199 59.7794 34.5040 174.0019 66 D 4.9928 8.5269 123.1922 52.6344 42.1687 175.9508 67 L 4.1068 8.8944 126.6559 55.4727 42.0537 179.2330 68 K 4.0956 10.0396 118.6889 56.1545 31.5251 175.6473 69 K 4.5468 7.2508 116.3460 55.4429 36.5596 175.1178 70 M 4.3249 8.4494 120.6606 55.7665 32.5403 175.4441 71 D 4.8790 9.2065 122.5310 52.8061 46.1592 173.2689 72 K 4.9684 8.5159 118.0781 54.6362 34.7079 175.7925 73 V 4.4785 8.9312 125.1322 62.0517 33.9340 174.2066 74 G 4.0399 9.6521 114.2457 46.3508 0.0000 175.3347 75 L 4.8566 6.5241 126.2718 54.8939 43.9164 174.8704 76 V 5.1015 9.6148 126.4993 61.1351 34.4410 174.0334 77 K 5.0755 9.4902 127.6388 54.7077 35.0633 174.9948 78 I 4.8221 8.8112 126.4761 59.7765 39.7939 174.0635 79 Y 4.9490 9.0757 125.7428 56.2044 39.9401 175.2556 80 N 4.8567 9.0812 123.8416 52.5441 40.2393 174.6086 81 R 4.3376 8.5768 123.3793 57.3090 29.9853 176.1892 82 T 4.6101 9.1579 113.1320 61.4202 70.5551 175.6919 83 D 4.4126 8.2306 120.4277 55.2371 40.0555 175.7698 84 A 4.2179 7.9251 119.5233 52.3014 21.5468 174.5319 85 E 4.0722 8.6007 115.2148 56.2206 27.2515 177.7404 86 T 3.9783 7.8808 110.1385 64.3316 69.0027 176.1519 87 Q 4.1803 8.0560 119.9049 58.4639 28.9060 178.3920 88 R 3.9408 7.8556 117.9166 59.0024 30.2410 177.0786 89 L 4.2284 7.1773 119.5573 52.9737 40.3244 175.2196 90 S 4.8074 7.9988 115.3140 57.1603 66.7040 174.2324 91 N 4.2217 9.2748 118.4444 54.7486 37.3788 172.6198 92 F 5.5306 7.9431 113.7814 55.4125 42.5474 175.2271 93 D 5.4304 9.3706 119.7723 52.7612 43.9653 175.5981 94 V 5.0392 9.0626 121.5029 61.4238 34.3805 174.3481 95 I 4.9267 9.0498 128.7219 59.4258 40.9894 174.3366 96 L 5.0368 8.5987 126.4973 53.1849 43.9898 175.1650 97 Y 5.3304 8.9704 120.8923 56.3839 42.1252 175.8661 98 D 4.8006 8.7312 121.9114 52.2036 41.9063 176.4211 99 N 4.4602 8.7781 116.2510 56.3592 39.0073 175.6508 100 N 4.8435 8.3814 113.3514 52.5438 38.9036 174.4988 101 R 3.8793 8.0434 115.3138 57.1792 28.3433 176.0969 102 N 4.6025 8.4717 115.7377 52.6286 39.1722 174.5652 103 E 4.1657 8.9120 124.2635 56.4985 30.0783 176.4224 104 V 4.4034 8.3954 118.7952 61.6682 33.8539 175.7064 105 A 4.5939 7.5084 119.3389 51.1548 22.3452 175.1598 106 K 5.1281 8.6588 120.6629 55.2277 35.5395 175.2727 107 K 4.7576 9.5622 126.3056 54.8508 35.9928 174.4239 108 H 5.1568 8.7678 122.6613 54.3614 32.3822 173.4810 109 V 3.9378 7.5623 124.5668 61.2584 33.6813 175.2961 110 N 4.6319 8.9439 126.5065 55.2696 38.8621 174.5900 111 N 5.2611 7.6758 114.1766 51.3704 40.5805 173.5362 112 L 4.5321 8.3543 119.4129 53.9227 43.0458 177.0184 113 S 4.5001 8.7264 116.9193 59.5766 64.7513 174.6236 114 G 4.1125 7.6350 112.0748 45.2733 0.0000 173.3391 115 E 4.5949 8.6801 120.3432 56.8560 30.7558 175.8761 116 S 5.0536 7.5985 113.2497 57.0781 66.3823 173.6452 117 V 4.5406 8.6198 119.1925 60.0557 34.5787 174.5406 118 S 5.3465 8.6875 118.3821 56.8637 65.6904 173.4032 119 L 4.7527 9.1664 122.7804 52.8972 45.9855 175.1160 120 D 5.1405 8.4126 121.5057 52.7214 43.1914 175.2186 121 F 4.4767 9.4378 124.9887 56.6973 39.3711 176.3211 122 K 4.1975 8.9861 119.0402 57.8398 29.6180 175.6097 123 E 3.9087 8.5725 113.0058 57.0787 27.6584 175.2324 124 K 4.0824 7.8968 118.6518 56.5945 33.2041 176.6418 125 G 4.0640 8.7299 112.1883 46.2954 0.0000 172.5837 126 A 4.7052 8.9522 125.3806 51.3268 22.8263 176.4059 127 R 4.3085 8.9870 119.9773 56.1166 32.5082 175.6394 128 Y 5.2791 7.8905 115.1969 56.0140 41.9068 174.8647 129 I 4.9421 8.6218 123.3848 59.4900 40.4212 174.2812 130 K 5.2099 9.5071 129.0496 54.6017 35.1273 174.6626 131 V 5.0277 9.5870 127.4745 61.2333 33.7898 174.1295 132 K 5.1933 9.3951 129.4623 54.5266 34.9019 175.2338 133 L 4.6889 8.8959 128.2315 55.1257 41.7801 177.3149 134 L 4.4881 8.9127 122.0900 55.9234 42.9315 177.0025 135 T 4.3202 7.9003 115.9460 62.2592 68.8431 174.9322 136 S 4.3389 8.5068 122.9071 59.4343 63.6775 174.8919 137 G 3.8978 9.1506 109.6119 45.8849 0.0000 173.3515 138 V 4.4378 7.4802 118.4071 59.8342 33.7446 173.6552 139 P 4.6275 0.0000 0.0000 62.1852 32.4743 175.3787 140 L 4.4601 8.7817 126.2027 53.9594 43.5187 175.2611 141 S 5.4156 8.4088 121.5930 55.6414 66.5166 172.8117 142 L 4.6536 8.6864 124.4038 52.7342 44.0016 177.5692 143 A 3.9918 9.0816 126.8632 54.9230 19.0649 177.2351 144 E 4.6750 7.5403 112.2018 55.4903 33.1236 174.9498 145 V 4.9854 8.9494 125.2687 61.3185 34.0728 174.3562 146 E 4.9038 9.4665 127.8494 54.5787 32.3736 175.1943 147 V 4.8416 8.5021 123.0520 61.1301 34.7098 174.3489 148 F 5.3938 9.3436 125.9027 55.8061 42.2448 176.6493 149 R 5.1731 9.1911 118.5438 57.2987 30.6525 175.7684 150 E 4.6218 7.6648 118.8231 55.2056 32.9261 176.5190 *151 S 4.2554 8.5298 113.9366 58.5595 63.0531 169.7841 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 15 N 8.42 4.72 0.00 2.95 2.99 0.00 0.00 6.00 6.90 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 16 L 8.51 4.05 0.00 1.76 1.71 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.55 4.09 0.00 2.63 2.65 0.00 0.00 6.97 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 18 I 8.25 3.94 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 0.96 0.00 0.00 19 A 7.97 4.12 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.59 4.44 0.00 2.88 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 21 A 8.34 3.44 0.62 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 0.00 0.00 22 K 7.66 4.28 0.00 1.86 1.89 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.67 1.60 7.81 23 P 0.00 4.53 0.00 2.04 1.95 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 24 T 8.32 5.03 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 1.28 0.00 0.00 25 T 8.42 4.88 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 1.22 0.00 0.00 26 Q 8.02 4.31 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 27 S 7.47 3.16 0.00 3.46 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 28 S 6.95 4.43 0.00 3.89 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 29 V 8.17 4.69 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 0.73 0.00 0.00 1.03 0.00 0.00 30 D 8.52 4.62 0.00 2.75 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 31 Y 8.75 3.78 0.00 3.03 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 32 N 8.54 4.25 0.00 2.97 2.94 0.00 0.00 7.10 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 33 G 8.28 4.13 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 0.00 34 D 7.86 4.71 0.00 2.75 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 35 P 0.00 4.88 0.00 2.32 2.57 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 36 N 8.31 4.57 0.00 3.00 3.16 0.00 0.00 6.30 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 37 R 8.04 4.00 0.00 1.91 2.12 0.00 3.21 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 38 A 8.11 4.48 0.97 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 39 V 7.94 4.81 2.40 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 1.15 0.00 0.00 1.06 0.00 0.00 40 D 8.59 4.81 0.00 2.87 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 41 G 8.96 3.89 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 0.00 0.00 0.00 42 N 8.08 4.76 0.00 2.65 2.81 0.00 0.00 7.16 7.75 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 43 R 8.31 3.73 0.00 1.62 1.56 0.00 3.12 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 44 N 8.25 4.16 0.00 2.79 2.71 0.00 0.00 7.06 7.57 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 45 G 8.60 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 46 N 7.88 4.94 0.00 2.78 2.70 0.00 0.00 6.80 7.71 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 47 F 9.55 3.95 0.00 3.17 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 48 N 8.23 4.47 0.00 2.92 2.88 0.00 0.00 6.91 7.57 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 49 S 7.84 4.05 0.00 3.92 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 50 G 7.96 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 51 S 7.60 4.63 0.00 3.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.03 4.71 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 1.05 0.00 0.00 1.03 0.00 0.00 53 T 8.72 4.47 4.61 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 1.31 0.00 0.00 54 H 9.30 5.06 0.00 3.53 3.53 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 55 T 8.31 5.04 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 1.25 0.00 0.00 56 R 8.83 4.23 0.00 1.88 1.91 0.00 3.06 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 57 A 8.42 4.58 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 58 D 8.80 4.72 0.00 2.67 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 59 N 8.64 5.35 0.00 2.59 2.75 0.00 0.00 7.21 8.02 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 60 P 0.00 4.96 0.00 2.43 2.16 0.00 3.95 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 2.14 2.09 0.00 61 S 8.32 4.52 0.00 3.89 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 62 W 8.25 5.78 0.00 3.65 3.26 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 63 W 9.78 5.73 0.00 3.39 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 64 E 8.55 5.03 0.00 2.08 1.67 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 2.18 2.30 0.00 65 V 8.14 4.42 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 0.81 0.00 0.00 0.99 0.00 0.00 66 D 8.53 4.99 0.00 2.77 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 67 L 8.89 4.11 0.00 1.66 1.60 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 K 10.04 4.10 0.00 1.84 2.01 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.29 7.81 69 K 7.25 4.55 0.00 1.68 1.82 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.37 7.81 70 M 8.45 4.32 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 71 D 9.21 4.88 0.00 2.59 2.45 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 0.00 0.00 0.00 0.00 72 K 8.52 4.97 0.00 1.73 1.72 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.37 7.81 73 V 8.93 4.48 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 0.98 0.00 0.00 0.89 0.00 0.00 74 G 9.65 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 75 L 6.52 4.86 0.00 2.08 1.83 0.97 0.62 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 76 V 9.61 5.10 2.42 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 1.19 0.00 0.00 1.21 0.00 0.00 77 K 9.49 5.08 0.00 2.00 1.59 0.00 2.15 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.43 1.69 7.81 78 I 8.81 4.82 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.82 0.00 0.00 79 Y 9.08 4.95 0.00 2.98 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 80 N 9.08 4.86 0.00 2.67 2.77 0.00 0.00 7.18 7.23 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 81 R 8.58 4.34 0.00 1.86 1.81 0.00 3.22 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 82 T 9.16 4.61 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 1.32 0.00 0.00 83 D 8.23 4.41 0.00 2.80 2.86 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 84 A 7.93 4.22 1.16 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 0.00 0.00 85 E 8.60 4.07 0.00 2.04 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 2.23 2.08 0.00 86 T 7.88 3.98 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 1.27 0.00 0.00 87 Q 8.06 4.18 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 88 R 7.86 3.94 0.00 1.85 2.14 0.00 3.06 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 89 L 7.18 4.23 0.00 1.52 1.60 -0.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.00 4.81 0.00 4.20 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 91 N 9.27 4.22 0.00 2.96 2.90 0.00 0.00 7.06 7.62 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 92 F 7.94 5.53 0.00 3.29 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 93 D 9.37 5.43 0.00 2.74 2.69 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 94 V 9.06 5.04 2.40 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 1.33 0.00 0.00 1.28 0.00 0.00 95 I 9.05 4.93 1.79 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.30 0.00 0.00 96 L 8.60 5.04 0.00 1.41 1.36 -0.08 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.97 5.33 0.00 2.97 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 98 D 8.73 4.80 0.00 2.94 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 99 N 8.78 4.46 0.00 2.69 2.92 0.00 0.00 6.74 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 0.00 100 N 8.38 4.84 0.00 2.76 2.80 0.00 0.00 6.94 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 0.00 101 R 8.04 3.88 0.00 1.81 1.68 0.00 2.80 0.00 0.00 2.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.27 0.00 102 N 8.47 4.60 0.00 3.06 2.78 0.00 0.00 6.69 7.24 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 0.00 103 E 8.91 4.17 0.00 1.91 1.85 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 2.15 1.94 0.00 104 V 8.40 4.40 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 0.80 0.00 0.00 0.97 0.00 0.00 105 A 7.51 4.59 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 0.00 106 K 8.66 5.13 0.00 1.85 1.66 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.52 7.81 107 K 9.56 4.76 0.00 1.72 1.54 0.00 0.77 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.20 7.81 108 H 8.77 5.16 0.00 3.16 3.11 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.56 3.94 0.67 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 0.73 0.00 0.00 0.53 0.00 0.00 110 N 8.94 4.63 0.00 2.67 2.81 0.00 0.00 6.64 6.92 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 0.00 111 N 7.68 5.26 0.00 2.80 2.76 0.00 0.00 5.99 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 0.00 112 L 8.35 4.53 0.00 1.68 1.85 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.73 4.50 0.00 3.96 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 0.00 114 G 7.63 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 0.00 115 E 8.68 4.59 0.00 1.97 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 2.37 2.31 0.00 116 S 7.60 5.05 0.00 3.22 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 0.00 117 V 8.62 4.54 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 1.06 0.00 0.00 0.92 0.00 0.00 118 S 8.69 5.35 0.00 3.71 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 0.00 119 L 9.17 4.75 0.00 1.57 1.19 1.06 0.59 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 0.00 120 D 8.41 5.14 0.00 2.60 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 0.00 121 F 9.44 4.48 0.00 3.26 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 0.00 122 K 8.99 4.20 0.00 1.96 1.92 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.53 7.81 123 E 8.57 3.91 0.00 2.17 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 0.00 2.51 2.31 0.00 124 K 7.90 4.08 0.00 1.86 1.76 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.67 7.81 125 G 8.73 4.06 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 0.00 126 A 8.95 4.71 1.17 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 0.00 127 R 8.99 4.31 0.00 1.64 1.53 0.00 2.91 0.00 0.00 2.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 128 Y 7.89 5.28 0.00 3.09 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 0.00 129 I 8.62 4.94 1.99 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 0.99 0.75 1.05 0.00 0.00 130 K 9.51 5.21 0.00 2.07 1.85 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.51 1.64 7.81 131 V 9.59 5.03 2.38 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 0.90 0.00 0.00 1.19 0.00 0.00 132 K 9.40 5.19 0.00 2.00 1.78 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 133 L 8.90 4.69 0.00 1.69 1.68 1.00 0.74 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 0.00 134 L 8.91 4.49 0.00 1.75 1.80 1.10 0.87 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 0.00 135 T 7.90 4.32 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 1.25 0.00 0.00 136 S 8.51 4.34 0.00 3.92 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 0.00 137 G 9.15 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 0.00 138 V 7.48 4.44 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 0.86 0.00 0.00 1.00 0.00 0.00 139 P 0.00 4.63 0.00 1.93 2.26 0.00 3.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 140 L 8.78 4.46 0.00 1.76 1.53 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.41 5.42 0.00 3.66 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 0.00 142 L 8.69 4.65 0.00 1.08 1.12 0.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.08 3.99 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 0.00 144 E 7.54 4.68 0.00 1.95 1.46 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 1.95 2.24 0.00 145 V 8.95 4.99 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 1.02 0.00 0.00 0.35 0.00 0.00 146 E 9.47 4.90 0.00 2.22 1.67 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 2.28 2.42 0.00 147 V 8.50 4.84 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 1.09 0.00 0.00 1.01 0.00 0.00 148 F 9.34 5.39 0.00 3.16 3.17 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 0.00 149 R 9.19 5.17 0.00 1.88 2.04 0.00 3.24 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 150 E 7.66 4.62 0.00 2.21 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 0.00 2.21 2.40 0.00 *151 S 8.53 4.26 0.00 3.62 3.72 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 * Residues marked with a * may have inaccurate shift predictions.