NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.5550 8.5245 117.7897 52.5174 39.8282 173.9564 8 P 4.1480 0.0000 0.0000 63.8356 26.5341 173.0311 9 M 4.7995 7.5805 117.6924 55.3591 35.6923 177.8350 10 R 4.5567 7.0321 114.0182 55.9007 33.0256 178.4979 11 D 5.0239 9.5372 121.7893 53.9589 41.6565 174.4465 12 L 3.8506 9.3478 127.9993 56.0535 39.6028 175.0048 13 K 4.3156 8.0683 125.2586 54.2858 35.5950 172.5191 14 I 4.3139 8.0867 118.4693 63.8031 36.1453 179.4118 15 E 3.3043 8.6018 119.8934 56.5763 30.4753 179.4836 16 K 4.5410 8.7395 116.7499 55.3762 36.2884 178.2071 17 L 4.6699 9.2950 122.3462 58.6317 40.8397 179.9038 18 V 3.6847 6.6915 121.7735 59.6847 29.9855 176.4169 19 L 4.8633 8.1740 130.2252 53.4102 42.6506 175.5667 20 N 5.4408 8.6533 124.2862 52.0006 41.5577 171.6770 21 I 4.4741 8.6488 125.7545 58.6198 38.9101 172.3531 22 S 5.0073 8.3616 123.2769 56.0578 62.2586 176.7877 23 V 3.8597 8.1718 121.8698 60.8898 30.9242 176.7921 24 G 3.4262 8.3048 111.7921 46.6255 0.0000 172.6647 25 E 4.6136 7.6232 119.0530 55.5576 34.1049 176.9341 26 S 4.2279 8.7750 114.1711 60.6338 61.4221 171.0537 27 G 4.2031 8.3940 108.1311 45.4571 0.0000 173.3789 28 D 4.6279 8.5171 120.9610 53.1785 38.2895 175.6058 29 R 4.4509 7.0578 123.0416 57.7617 32.9908 180.6703 30 L 4.0896 8.2897 119.7392 58.3981 41.3384 180.5621 31 T 4.7809 7.9501 114.6557 59.3825 65.3501 176.8492 32 R 5.1198 7.5548 132.0497 55.3987 30.2941 176.4951 33 A 4.0273 7.5213 121.1899 55.4626 18.7222 180.5367 34 S 4.2230 9.1739 117.2976 63.2024 61.8706 181.5248 35 K 4.7942 8.3924 127.6327 60.3107 32.8708 180.3944 36 V 3.9019 8.3680 123.0959 67.1170 31.8444 180.5079 37 L 4.2229 8.5071 125.4039 60.0484 40.6125 181.9071 38 E 4.2947 9.0033 120.6734 61.7118 30.0930 182.0569 39 Q 4.8087 8.6170 123.2439 58.5335 28.5621 179.5639 40 L 4.5895 8.0001 122.4484 58.9686 41.0942 183.8363 41 S 4.8083 7.5306 115.1165 61.9280 64.2097 179.8354 42 G 4.4739 8.8068 115.4343 46.1439 0.0000 174.6453 43 Q 4.2161 7.7560 118.4774 55.3657 29.0670 177.5778 44 T 4.4774 8.0658 110.3147 61.0681 70.6738 171.1771 45 P 4.9389 0.0000 0.0000 63.2241 33.4485 171.7442 46 V 3.8353 8.4596 128.6108 60.9110 32.4903 174.3855 47 Q 4.6532 8.5721 131.0796 55.4800 29.3493 172.8630 48 S 4.7712 8.5464 111.9883 58.6421 67.2787 171.8660 49 K 4.6582 8.4716 125.6439 53.2835 31.2019 178.9088 50 A 5.4460 8.0929 126.8538 55.5064 20.8081 178.2873 51 R 4.1321 7.8407 123.2225 55.9038 28.6929 176.5712 *52 Y 4.9668 7.6496 128.7322 58.0928 42.7017 174.6297 53 T 4.9042 6.9837 111.1292 60.9231 72.8821 177.9480 54 V 4.6991 7.7308 120.1136 63.3753 34.9372 173.1625 55 R 4.6117 8.3064 125.2469 58.5422 28.5435 179.1290 56 T 4.1156 8.3422 108.8146 64.5808 66.7101 175.0043 *57 F 3.3207 9.0706 128.2171 56.4973 37.7302 177.6965 58 G 3.9941 8.6127 103.2309 49.2449 0.0000 174.3346 59 I 4.5390 7.7998 117.1431 59.2381 34.6783 178.2253 60 R 4.7899 7.5725 121.3062 54.7368 34.0316 178.0885 61 R 4.2125 8.4452 120.7396 57.5309 31.0435 175.1373 62 N 4.8713 8.5678 122.7875 53.3144 37.3876 174.7245 63 E 4.6909 9.3066 120.7185 57.1366 34.7122 174.5576 64 K 3.6976 8.6744 130.8893 54.9790 29.1390 174.6683 65 I 4.9073 7.7197 134.7902 58.1132 38.3136 171.4344 66 A 5.0749 7.0890 126.4489 51.7801 20.2873 177.8304 67 V 4.6438 7.9356 121.5455 60.8632 35.1812 177.7767 *68 H 4.5451 11.2100 124.1886 57.4634 29.9846 175.8951 69 V 3.3863 6.8838 118.5512 58.3591 30.7334 178.7887 70 T 4.5969 8.4249 122.2133 59.9110 71.9948 171.3023 71 V 4.3452 8.1726 129.1579 61.2143 35.1530 171.4612 72 R 5.0147 8.5591 114.1639 58.4476 34.3895 172.1999 73 G 3.8832 9.6015 111.7348 48.5911 0.0000 174.2025 74 P 4.3827 0.0000 0.0000 65.6196 31.4384 181.2316 75 K 4.5532 7.8380 120.6037 53.6942 32.3848 180.7316 76 A 4.0439 8.5870 124.4700 56.0848 17.7569 181.5841 77 E 3.3027 8.7835 119.7579 58.1216 31.2866 182.4235 78 E 4.0521 7.6961 114.8592 59.0466 30.2099 182.8925 79 I 4.0967 8.7818 118.8974 63.7977 36.2151 184.2624 80 L 4.2430 7.5406 120.3976 55.7055 40.1638 180.6251 81 E 4.5253 8.1531 115.9086 57.3244 28.9871 182.0273 82 R 5.1587 7.8727 123.8322 56.7941 34.9946 179.4767 83 G 3.8514 8.2886 110.5396 48.7140 0.0000 176.6988 84 L 3.8021 8.7336 123.3661 57.4340 44.4664 183.0458 85 K 3.8250 9.1516 114.5633 58.4207 30.7390 183.5226 86 V 3.2518 5.4500 115.1886 64.3911 33.2616 179.8254 87 K 4.4553 7.8884 123.7263 57.7684 31.2411 179.4514 88 E 3.9143 9.8680 112.3271 57.8308 28.3091 177.6706 *89 Y 3.5810 9.5349 119.2741 58.6564 34.7110 174.1708 90 Q 4.9857 9.0161 121.3203 54.7750 32.8927 177.0131 91 L 4.6709 10.0229 125.6749 52.9468 45.2857 175.2208 92 R 3.4893 7.2726 118.5346 57.8302 25.5960 176.1814 93 D 5.5959 8.1238 123.9027 51.2711 42.2189 172.2849 94 R 3.9057 8.0367 125.8096 57.6938 29.7864 177.1939 95 N 4.9508 8.6432 116.7786 52.4293 43.6215 172.7118 *96 F 4.5634 8.1653 118.5628 57.9863 39.6961 182.0889 97 S 3.6383 9.3005 118.8858 57.5281 59.5901 170.6712 98 A 3.7502 7.6153 120.6274 54.9034 16.9050 179.9640 99 T 4.3102 7.6347 109.2233 59.7928 67.4505 180.1492 100 G 3.8657 8.1051 123.3782 44.3874 0.0000 172.1210 101 N 4.1018 7.6532 119.9186 53.2568 34.5984 177.3935 *102 F 3.8399 7.6668 121.5259 58.3410 38.9538 176.0462 103 G 4.2042 8.2004 110.4662 44.4606 0.0000 172.7580 *104 F 4.6817 8.2569 116.5042 54.0952 40.9574 171.8007 105 G 3.9620 8.7043 117.1382 46.3689 0.0000 172.0169 106 I 4.4907 7.6139 119.1637 61.6187 39.0915 172.6257 107 D 4.5701 8.2544 119.9947 55.1835 44.2692 171.7908 108 E 4.0951 8.7465 118.2771 59.1115 30.6919 175.6748 *109 H 5.5608 8.3848 112.8644 54.7381 31.8525 168.8871 110 I 3.2778 8.5431 112.9927 63.2266 34.6890 167.5925 111 D 4.4993 9.2695 126.4335 56.3195 36.5666 171.5428 112 L 4.9716 7.4223 123.2911 53.3634 42.9758 170.7029 113 G 3.9689 8.8921 115.7152 46.3589 0.0000 172.3931 114 I 3.7736 7.6351 118.4302 57.1626 36.1002 179.4239 115 K 3.5592 8.3478 121.0172 56.6151 31.2455 176.4052 *116 Y 4.7195 7.9529 116.1266 56.1546 40.2338 175.7539 117 D 4.5915 8.5867 123.3734 54.0100 40.2569 174.2218 118 P 4.8337 0.0000 0.0000 64.7784 34.4714 173.2400 119 S 4.2248 8.6997 114.2594 59.2927 61.4646 170.2537 120 I 4.1747 8.4264 118.9009 60.9932 34.4198 176.7637 121 G 3.5569 10.1574 115.0683 48.9538 0.0000 174.5925 122 I 3.2597 9.4489 115.9627 61.0817 34.6321 167.9928 *123 F 3.7689 9.0994 117.5561 57.6734 34.2995 179.3249 124 G 3.8471 7.8522 118.8963 42.2934 0.0000 175.3666 125 M 3.1649 8.1572 119.0717 53.2645 31.8305 179.5816 126 D 4.9680 8.2468 114.8332 55.1521 37.6265 175.5664 *127 F 4.5459 7.7773 122.9731 56.1850 37.6292 176.5542 *128 Y 4.6566 8.1977 122.1534 57.0036 41.4717 176.8648 129 V 4.5454 7.3550 126.7965 63.1808 33.2647 170.9510 130 V 4.5061 6.8529 128.9175 62.2215 33.1697 178.1988 131 M 4.7019 9.8985 121.5123 56.1927 33.2854 172.5704 132 N 3.7533 10.1208 115.2026 54.6315 39.4640 172.7638 133 R 4.1457 8.2792 124.0048 56.8509 28.3597 175.0047 134 P 4.8672 0.0000 0.0000 63.9560 34.4331 166.1885 135 G 4.1450 8.2548 109.3248 46.3139 0.0000 174.4496 136 A 4.7590 8.0898 127.5181 52.2504 19.8811 178.5286 137 R 4.7124 8.8917 114.0321 60.4108 35.1972 175.8145 138 V 4.5132 7.5672 117.8672 59.7170 32.6205 176.4301 139 T 4.5409 8.0840 118.4665 61.2799 70.6924 176.4953 140 R 4.4117 8.0339 118.8217 57.8362 29.4872 184.9831 141 R 4.3262 7.8118 121.1885 57.3221 29.7052 178.3927 142 K 4.6568 8.2272 118.3655 55.1558 36.0929 172.5889 143 R 3.1802 9.2591 113.7919 61.2139 27.8375 175.7578 144 C 4.0956 8.1372 114.3951 59.7680 24.1193 173.3906 145 K 4.3983 7.6907 130.1135 53.7276 33.3236 177.0602 146 G 4.0386 7.8624 107.6928 47.9879 0.0000 172.6857 147 T 4.0833 8.1790 114.4762 60.3760 68.9789 173.8187 148 V 3.8423 8.4352 123.6480 59.6588 32.3468 174.0215 149 G 3.9758 8.4003 108.9140 47.8737 0.0000 174.2130 150 N 5.0393 8.7143 114.1081 52.4269 38.4941 171.8776 151 S 4.6509 8.1021 118.3730 58.6314 65.0281 177.1501 *152 H 4.3498 9.1315 121.7664 53.6559 26.6693 171.5298 153 K 4.6511 8.1510 118.8606 54.9646 34.0138 171.6195 154 T 4.3177 8.6348 120.5885 62.1880 70.0530 174.5803 155 T 3.2936 9.7161 125.5105 62.0172 70.5088 179.4002 156 K 3.8820 9.3240 123.6507 56.3879 32.4623 178.5158 157 E 4.1579 9.5272 118.6714 59.0869 29.6555 178.0614 158 D 4.7758 9.1305 118.6529 56.8725 42.6262 183.1616 159 T 4.3260 7.8645 110.8811 62.0865 68.7002 178.1333 160 V 4.1575 8.0224 123.3368 64.3693 32.7075 183.3989 161 S 4.7010 7.9101 115.9160 58.6746 61.3804 177.6450 *162 W 5.0694 7.9195 120.0322 58.1982 30.1845 178.7594 *163 F 4.8554 8.4982 117.1446 57.7111 38.8215 180.0598 164 K 4.6126 8.3214 123.3684 55.9993 33.5067 180.8910 165 Q 4.7071 8.1612 117.3830 56.3000 29.1277 182.1495 166 K 4.3219 8.3676 120.2282 54.8483 32.2538 178.6899 *167 Y 3.3245 7.7825 118.8726 59.2619 33.1608 174.2197 168 D 4.3934 7.7285 121.9496 52.2737 43.3228 173.5011 169 A 4.5258 9.4825 122.5918 53.6815 19.8398 177.0667 170 D 4.9155 8.8292 127.5741 55.0491 45.4312 174.1335 171 V 3.8877 7.6057 121.4808 61.1259 31.4787 177.7491 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 N 8.52 4.56 0.00 2.76 2.69 0.00 0.00 6.81 6.86 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 8 P 0.00 4.15 0.00 2.28 2.23 0.00 3.65 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 1.79 1.65 0.00 9 M 7.58 4.80 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.07 0.00 10 R 7.03 4.56 0.00 1.77 1.65 0.00 3.34 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.00 11 D 9.54 5.02 0.00 2.80 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 12 L 9.35 3.85 0.00 1.85 1.69 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.07 4.32 0.00 1.70 1.54 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.16 0.89 7.81 14 I 8.09 4.31 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 1.27 1.19 0.91 0.00 0.00 15 E 8.60 3.30 0.00 2.06 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 2.17 1.86 0.00 16 K 8.74 4.54 0.00 1.71 1.54 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.22 0.95 7.81 17 L 9.30 4.67 0.00 1.39 1.62 0.92 1.04 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 18 V 6.69 3.68 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 0.85 0.00 0.00 0.93 0.00 0.00 19 L 8.17 4.86 0.00 1.41 1.47 0.92 0.80 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 20 N 8.65 5.44 0.00 2.45 2.56 0.00 0.00 6.79 7.72 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 21 I 8.65 4.47 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 1.20 0.63 0.91 0.00 0.00 22 S 8.36 5.01 0.00 3.34 3.65 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 23 V 8.17 3.86 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 0.88 0.00 0.00 0.93 0.00 0.00 24 G 8.30 3.43 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 0.00 0.00 0.00 25 E 7.62 4.61 0.00 1.95 1.71 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 2.13 1.87 0.00 26 S 8.77 4.23 0.00 3.64 3.64 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 27 G 8.39 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 0.00 0.00 0.00 0.00 28 D 8.52 4.63 0.00 2.71 2.52 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 29 R 7.06 4.45 0.00 1.71 1.81 0.00 3.25 0.00 0.00 3.37 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 30 L 8.29 4.09 0.00 1.52 1.74 0.92 0.84 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 31 T 7.95 4.78 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 32 R 7.55 5.12 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.34 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.00 33 A 7.52 4.03 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 34 S 9.17 4.22 0.00 3.76 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 35 K 8.39 4.79 0.00 1.77 1.79 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.13 7.81 36 V 8.37 3.90 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 0.90 0.00 0.00 0.93 0.00 0.00 37 L 8.51 4.22 0.00 1.61 1.66 0.92 0.85 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 38 E 9.00 4.29 0.00 1.92 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 2.26 2.25 0.00 39 Q 8.62 4.81 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 40 L 8.00 4.59 0.00 1.76 1.60 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.53 4.81 0.00 3.78 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 42 G 8.81 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 0.00 0.00 0.00 0.00 43 Q 7.76 4.22 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 44 T 8.07 4.48 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 45 P 0.00 4.94 0.00 1.80 1.84 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 46 V 8.46 3.84 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 0.65 0.00 0.00 0.93 0.00 0.00 47 Q 8.57 4.65 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 48 S 8.55 4.77 0.00 3.58 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 49 K 8.47 4.66 0.00 1.77 1.33 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.01 7.81 50 A 8.09 5.45 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 51 R 7.84 4.13 0.00 1.84 1.77 0.00 3.31 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 *52 Y 7.65 4.97 0.00 2.17 2.23 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 53 T 6.98 4.90 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 54 V 7.73 4.70 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 0.79 0.00 0.00 0.93 0.00 0.00 55 R 8.31 4.61 0.00 1.73 0.94 0.00 3.24 0.00 0.00 3.37 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 56 T 8.34 4.12 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 *57 F 9.07 3.32 0.00 2.42 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 0.00 0.00 0.00 58 G 8.61 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 59 I 7.80 4.54 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 1.27 0.78 0.91 0.00 0.00 60 R 7.57 4.79 0.00 1.82 1.66 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 61 R 8.45 4.21 0.00 1.50 1.84 0.00 3.26 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 62 N 8.57 4.87 0.00 2.49 2.74 0.00 0.00 6.45 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 63 E 9.31 4.69 0.00 1.71 1.68 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 2.02 1.97 0.00 64 K 8.67 3.70 0.00 2.01 1.75 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.24 7.81 65 I 7.72 4.91 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 0.87 0.91 0.00 0.00 66 A 7.09 5.07 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 67 V 7.94 4.64 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 0.71 0.00 0.00 0.93 0.00 0.00 *68 H 11.21 4.55 0.00 2.68 2.98 0.00 7.19 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 6.88 3.39 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 0.83 0.00 0.00 0.93 0.00 0.00 70 T 8.42 4.60 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 71 V 8.17 4.35 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 0.67 0.00 0.00 0.93 0.00 0.00 72 R 8.56 5.01 0.00 1.76 1.70 0.00 3.34 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 73 G 9.60 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 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0.00 82 R 7.87 5.16 0.00 1.73 1.90 0.00 3.24 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 83 G 8.29 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 0.00 0.00 0.00 84 L 8.73 3.80 0.00 1.59 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 K 9.15 3.82 0.00 1.67 1.32 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.05 7.81 86 V 5.45 3.25 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 0.81 0.00 0.00 0.93 0.00 0.00 87 K 7.89 4.46 0.00 1.69 1.74 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.22 7.81 88 E 9.87 3.91 0.00 2.01 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 2.20 2.12 0.00 *89 Y 9.53 3.58 0.00 2.37 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 0.00 0.00 0.00 0.00 90 Q 9.02 4.99 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 91 L 10.02 4.67 0.00 1.50 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.27 3.49 0.00 1.78 2.06 0.00 3.20 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.00 93 D 8.12 5.60 0.00 2.68 2.47 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 0.00 94 R 8.04 3.91 0.00 1.92 1.81 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 95 N 8.64 4.95 0.00 2.69 2.67 0.00 0.00 6.62 7.43 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 *96 F 8.17 4.56 0.00 2.19 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 0.00 0.00 0.00 0.00 97 S 9.30 3.64 0.00 3.78 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 98 A 7.62 3.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.08 0.00 132 N 10.12 3.75 0.00 2.83 2.92 0.00 0.00 6.44 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 0.00 133 R 8.28 4.15 0.00 2.00 1.91 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 134 P 0.00 4.87 0.00 2.02 1.78 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 135 G 8.25 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 0.00 0.00 0.00 0.00 136 A 8.09 4.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.89 4.71 0.00 1.78 1.76 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 138 V 7.57 4.51 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 0.88 0.00 0.00 0.93 0.00 0.00 139 T 8.08 4.54 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 0.00 140 R 8.03 4.41 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 141 R 7.81 4.33 0.00 1.82 1.76 0.00 3.18 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 142 K 8.23 4.66 0.00 1.70 1.57 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.97 7.81 143 R 9.26 3.18 0.00 1.90 1.74 0.00 3.23 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 144 C 8.14 4.10 0.00 2.81 3.19 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 0.00 0.00 0.00 145 K 7.69 4.40 0.00 1.77 1.67 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 146 G 7.86 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 0.00 147 T 8.18 4.08 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 0.00 148 V 8.44 3.84 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 0.88 0.00 0.00 0.93 0.00 0.00 149 G 8.40 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 0.00 150 N 8.71 5.04 0.00 2.71 2.62 0.00 0.00 6.23 7.64 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 0.00 151 S 8.10 4.65 0.00 3.59 3.65 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 *152 H 9.13 4.35 0.00 3.05 3.23 0.00 7.13 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 0.00 153 K 8.15 4.65 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 0.96 7.81 154 T 8.63 4.32 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 0.00 155 T 9.72 3.29 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 0.00 156 K 9.32 3.88 0.00 1.75 1.34 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 0.99 7.81 157 E 9.53 4.16 0.00 1.98 1.89 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 2.23 1.88 0.00 158 D 9.13 4.78 0.00 2.36 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 0.00 159 T 7.86 4.33 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 0.00 160 V 8.02 4.16 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 0.66 0.00 0.00 0.93 0.00 0.00 161 S 7.91 4.70 0.00 3.64 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 *162 W 7.92 5.07 0.00 2.45 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 0.00 0.00 0.00 *163 F 8.50 4.86 0.00 2.24 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 0.00 0.00 0.00 0.00 164 K 8.32 4.61 0.00 1.73 1.69 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.95 7.81 165 Q 8.16 4.71 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.04 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 166 K 8.37 4.32 0.00 1.75 1.69 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 0.97 7.81 *167 Y 7.78 3.32 0.00 2.44 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 0.00 0.00 0.00 0.00 168 D 7.73 4.39 0.00 2.63 2.43 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 0.00 169 A 9.48 4.53 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 0.00 170 D 8.83 4.92 0.00 2.55 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 0.00 171 V 7.61 3.89 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 0.67 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.