NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4741 8.3193 115.4118 58.6998 64.2419 172.9353 10 D 4.9933 8.2847 117.0223 52.0884 39.5254 174.2946 11 M 4.2659 8.3201 121.3734 54.4598 33.9844 175.5378 12 P 4.6033 0.0000 0.0000 63.4503 32.7773 175.5550 13 V 5.1098 8.4130 122.9722 60.0774 35.4221 174.4576 14 A 4.9650 9.1264 124.4088 51.3776 22.9218 174.8954 15 H 4.8373 9.6454 122.9339 54.6349 31.4497 172.0897 16 V 4.5754 8.4424 117.2213 60.0328 33.8034 175.3244 17 V 5.1887 8.6576 116.0809 59.3668 35.3930 174.7275 18 A 4.3477 8.2705 123.6672 51.4259 19.0597 177.1539 19 N 4.2346 8.6436 121.2129 52.9951 39.3181 174.2943 20 P 4.1449 0.0000 0.0000 64.3031 31.7853 177.1009 21 Q 4.3388 8.1643 115.7238 56.2840 30.1784 176.0488 22 A 4.3570 7.3668 122.6368 50.9596 17.4674 177.0823 23 E 4.2310 7.6447 120.0490 57.3216 30.7910 178.3255 24 G 3.9627 10.3581 109.4471 45.4613 0.0000 172.4569 25 Q 4.4718 7.4713 114.8219 54.9389 31.6793 174.2758 26 L 4.2653 8.0900 119.5485 52.9270 42.5550 173.7607 27 Q 4.4918 7.7336 126.1304 53.6000 31.2557 173.9892 28 W 5.1782 9.1752 127.7012 56.4836 30.0153 175.8393 29 L 5.0591 9.6693 124.7075 53.0397 44.1430 176.8945 30 N 4.8186 8.8723 117.0602 53.1157 39.8346 175.2011 31 R 4.3844 7.7985 119.5795 55.3565 29.4777 175.4965 32 R 4.6877 7.2818 116.3495 53.8230 34.8782 175.2659 33 A 4.1251 8.4130 122.8954 53.7818 18.7554 177.3924 34 N 4.3066 9.0219 118.2495 54.0336 35.7899 173.7142 35 A 5.1806 7.6563 118.1159 50.3125 22.5230 176.6067 36 L 4.7507 8.7284 118.1807 53.2071 46.5653 175.8280 37 L 4.8797 8.4730 124.9358 54.3843 44.6061 174.2113 38 A 4.4907 9.0777 126.6552 50.7279 23.8570 174.8758 39 N 4.0753 9.9657 112.8132 55.0152 36.3357 176.3503 40 G 4.1104 8.4903 106.2134 45.5382 0.0000 175.1171 41 V 3.9788 7.5437 120.4674 62.9548 31.9513 175.3621 42 E 4.6744 8.7791 126.6758 54.6531 32.8680 174.9200 43 L 5.2142 8.3879 124.2768 52.3610 42.5452 174.1891 44 R 4.5448 8.1002 122.5149 54.9982 32.3704 176.1994 45 D 4.1050 9.6148 121.0714 55.4701 38.3215 174.0147 46 N 4.6247 8.6386 114.2493 53.8639 37.4852 173.2187 47 Q 4.9868 7.9215 115.3891 54.6034 32.4815 174.1724 48 L 4.7312 8.7877 121.0990 53.5128 44.0244 175.8743 49 V 4.6544 8.7902 123.8530 61.0660 33.7875 174.6472 50 V 4.0013 8.4534 128.8429 62.0619 31.8565 175.2432 51 P 4.4008 0.0000 0.0000 64.9501 31.8084 176.3522 52 S 4.6776 7.4277 109.8943 56.5176 65.8787 173.7111 53 E 4.9035 8.2189 121.8688 55.3390 30.2315 176.9409 54 G 3.9627 7.9440 110.3259 45.3169 0.0000 170.3034 55 L 5.1508 7.7339 119.4837 53.5719 43.3644 175.5284 56 Y 5.1267 9.7728 123.3185 55.9404 40.9757 174.8890 57 L 4.7876 8.8318 126.3648 54.9877 43.6377 175.4290 58 I 5.2718 9.8089 128.1489 59.7805 40.4151 174.2189 59 Y 5.3970 8.4881 124.1761 55.8657 42.0917 173.9303 60 S 4.7752 8.6010 112.0103 57.6185 66.6536 173.9489 61 Q 4.9259 7.7733 126.0314 54.3497 32.5793 174.2627 62 V 4.6720 8.4124 117.0025 59.3323 36.5708 174.3486 63 L 5.0484 7.8697 123.0147 53.6235 45.0032 175.4012 64 F 5.4831 8.9792 125.4123 56.7408 41.5079 174.9413 65 S 4.2780 7.9002 114.2227 58.4044 66.0997 173.4656 66 G 3.5411 5.9504 105.0552 45.5709 0.0000 174.3905 67 Q 4.1203 8.7919 119.8751 57.9416 29.3392 175.9211 68 G 4.1298 7.7655 103.7105 45.2700 0.0000 172.2132 69 C 4.7367 8.5519 117.2625 54.3064 38.3235 172.3520 70 P 4.4705 0.0000 0.0000 62.1886 31.4193 177.7001 71 S 4.1319 8.6074 113.6157 60.4965 62.8001 173.8994 72 T 4.2680 7.1472 111.0516 59.8947 70.8421 173.0380 73 H 4.4973 7.8401 117.1982 54.0534 28.9092 174.7810 74 V 3.6978 7.9990 125.4627 61.9097 31.8117 174.3347 75 L 4.6251 8.2348 127.3238 52.9729 43.5747 175.8652 76 L 4.4134 8.5462 125.5983 53.7556 43.6168 176.2457 77 T 5.1311 9.0589 112.8306 60.1984 72.4286 172.1432 78 H 5.5400 9.1168 124.4151 54.7723 33.3330 172.3456 79 T 5.0084 8.7844 121.7791 62.2940 73.1670 172.7862 80 I 4.5465 8.4948 128.5047 60.2591 38.5812 175.2296 81 S 5.1725 8.8854 121.8611 56.3481 66.6008 172.8901 82 R 4.9048 8.7145 121.0323 54.6578 33.1291 174.2710 83 I 4.9759 8.6701 126.7454 58.8403 38.8254 174.9135 84 A 4.5607 8.4337 130.4923 50.9619 19.6912 178.3665 85 V 3.7012 8.5805 121.5182 65.8792 31.6434 177.3215 86 S 4.5477 7.9599 111.2900 58.5572 63.3659 174.0516 87 Y 4.5306 7.5209 118.0319 57.7235 40.6170 173.3717 88 Q 4.6148 7.9515 123.9382 53.7808 27.3272 174.5549 89 T 4.5484 7.6781 110.0889 59.5213 72.3747 171.8102 90 P 4.4219 0.0000 0.0000 63.2311 32.1244 175.7025 91 V 4.3903 8.7484 124.6465 60.6548 34.3553 174.2045 92 N 4.4931 8.8887 125.5125 54.0793 38.2652 174.5701 93 L 4.2943 8.4686 124.6812 56.3326 43.1327 177.7463 94 L 4.8382 7.5096 118.0291 53.1375 45.7809 175.5763 95 S 5.1614 8.7034 117.3098 56.8866 65.7637 172.5112 96 A 4.9044 8.9688 126.6327 50.7489 23.1440 174.7968 97 I 5.0959 8.1930 118.3309 59.7856 41.2670 174.9838 98 R 4.7951 9.2062 125.4453 54.7158 34.2142 174.4412 99 S 4.7194 8.2003 117.6525 55.7518 64.4880 171.9953 100 P 4.3029 0.0000 0.0000 63.4397 31.5834 177.2737 101 C 4.9241 7.2201 114.3807 55.4470 43.4687 173.8020 102 Q 4.0860 8.2209 116.7057 56.8444 34.4531 174.6498 *111 A 4.2701 7.6535 119.3414 52.0261 18.0395 175.8359 112 N 4.7758 7.9910 118.3805 51.3573 40.5414 174.5324 113 P 4.8477 0.0000 0.0000 62.2975 32.5646 175.9053 114 W 5.4060 8.0803 118.8423 55.1142 31.8302 173.5066 115 Y 5.1550 9.0176 118.6794 56.5247 41.3302 175.2124 116 E 4.7690 9.8177 122.5071 54.2091 32.7249 172.8029 117 P 5.1395 0.0000 0.0000 62.2091 32.8237 176.1004 118 I 4.7745 8.8054 123.6980 59.7329 41.1130 173.5132 119 Y 5.1599 8.9417 127.6377 55.7369 41.0409 174.4298 120 L 4.9181 8.6105 127.1177 53.0807 45.0951 175.8443 121 G 4.4855 8.4357 106.6258 45.7588 0.0000 172.5558 122 G 4.1931 9.2114 110.8933 45.8606 0.0000 171.9206 123 V 5.0010 8.0029 120.0254 61.2645 32.9629 174.9550 124 F 4.9897 9.7233 125.8885 55.8214 43.8778 173.3348 125 Q 5.1618 8.9230 123.2305 55.6008 29.7564 174.7919 126 L 5.0250 9.1125 126.2478 53.0988 45.3963 175.6416 127 E 4.9658 9.4215 121.5003 53.7944 32.7258 173.9008 128 P 4.5928 0.0000 0.0000 64.1570 31.7161 177.2778 129 G 3.9984 9.0051 112.6567 44.8634 0.0000 173.4915 130 D 4.6722 7.9219 120.4767 54.5915 42.1745 175.5645 131 R 5.0467 8.4506 121.1646 54.3422 33.5724 174.6171 132 L 5.2396 9.0606 123.8796 52.9796 44.3184 175.6059 133 S 5.1383 8.8158 118.5156 56.5983 66.0698 173.2031 134 A 4.5595 8.4561 123.4721 50.0305 19.3766 175.0732 135 E 4.8948 8.8971 120.7693 55.2398 32.8580 174.8571 136 I 5.7251 8.2464 113.1817 58.7327 40.4012 174.8563 137 N 4.5040 8.4657 120.5606 54.7652 38.2603 175.7482 138 R 4.7918 7.8027 118.1920 53.1337 29.9552 174.0584 139 P 4.3777 0.0000 0.0000 64.8989 31.9233 177.8413 140 D 4.5598 8.0902 115.6356 54.4412 39.8128 176.0881 141 Y 4.6038 8.1958 117.2240 57.6478 39.3493 175.8007 142 L 4.1071 7.3129 119.0001 54.8387 42.1191 176.4653 143 D 4.3521 7.9819 119.5554 52.9435 42.3761 175.0466 144 F 4.9986 8.1917 123.8806 57.2313 39.4104 176.8820 145 A 4.1334 8.0873 125.2948 55.0794 18.0310 178.2686 146 E 4.8074 7.6877 110.5069 54.0853 32.7193 175.9658 147 S 4.4406 8.4157 114.4565 59.2374 64.0225 174.5976 148 G 4.0544 9.0229 110.0145 46.1899 0.0000 174.2212 149 Q 4.3935 8.1592 119.2220 56.9872 29.3139 176.1283 150 V 4.8236 7.8644 117.7817 61.2385 34.6244 174.0802 151 Y 5.2976 8.6389 124.6324 56.4449 42.1058 173.3571 152 F 5.0539 8.7560 122.1185 56.8803 43.0410 173.3158 153 G 4.0314 8.2751 111.6532 45.1868 0.0000 171.7095 154 I 5.4505 8.4995 114.0414 59.4443 41.8939 173.8607 155 I 5.1178 8.7183 122.7126 59.6541 41.7290 173.5960 156 A 3.7803 8.6316 132.1664 51.5750 18.8610 177.3335 157 L 4.2179 8.5250 122.4481 54.7734 41.5134 176.7481 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 9 S 8.32 4.47 0.00 3.98 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 10 D 8.28 4.99 0.00 2.83 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 11 M 8.32 4.27 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 12 P 0.00 4.60 0.00 2.28 2.16 0.00 3.48 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 13 V 8.41 5.11 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 0.76 0.00 0.00 0.97 0.00 0.00 14 A 9.13 4.96 1.03 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 15 H 9.65 4.84 0.00 3.25 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.44 4.58 2.30 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 0.55 0.00 0.00 0.66 0.00 0.00 17 V 8.66 5.19 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 0.91 0.00 0.00 1.06 0.00 0.00 18 A 8.27 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.64 4.23 0.00 2.70 2.47 0.00 0.00 7.13 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 20 P 0.00 4.14 0.00 2.05 2.09 0.00 3.59 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 1.98 2.02 0.00 21 Q 8.16 4.34 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.57 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 22 A 7.37 4.36 1.18 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 0.00 0.00 23 E 7.64 4.23 0.00 2.13 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 0.00 2.52 2.33 0.00 24 G 10.36 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 25 Q 7.47 4.47 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 26 L 8.09 4.27 0.00 1.44 1.41 -0.08 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.73 4.49 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 28 W 9.18 5.18 0.00 3.31 3.10 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 29 L 9.67 5.06 0.00 1.56 1.55 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.87 4.82 0.00 2.79 2.91 0.00 0.00 6.10 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 31 R 7.80 4.38 0.00 1.83 1.96 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 32 R 7.28 4.69 0.00 1.80 1.77 0.00 3.30 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 33 A 8.41 4.13 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 34 N 9.02 4.31 0.00 2.92 2.96 0.00 0.00 6.77 7.35 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 35 A 7.66 5.18 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 36 L 8.73 4.75 0.00 1.67 1.52 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.47 4.88 0.00 1.56 1.51 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.08 4.49 1.23 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 0.00 0.00 39 N 9.97 4.08 0.00 2.98 2.87 0.00 0.00 6.93 8.04 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 40 G 8.49 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 41 V 7.54 3.98 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 0.70 0.00 0.00 1.04 0.00 0.00 42 E 8.78 4.67 0.00 1.92 1.79 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 2.41 2.35 0.00 43 L 8.39 5.21 0.00 1.58 1.57 1.07 1.12 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 44 R 8.10 4.54 0.00 1.88 1.80 0.00 3.33 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 45 D 9.61 4.11 0.00 2.85 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 46 N 8.64 4.62 0.00 2.93 3.10 0.00 0.00 7.05 7.08 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 47 Q 7.92 4.99 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 48 L 8.79 4.73 0.00 1.27 1.30 -0.28 0.55 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 49 V 8.79 4.65 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 0.90 0.00 0.00 0.91 0.00 0.00 50 V 8.45 4.00 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 0.78 0.00 0.00 0.55 0.00 0.00 51 P 0.00 4.40 0.00 2.14 2.15 0.00 3.86 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 2.10 2.23 0.00 52 S 7.43 4.68 0.00 3.84 3.83 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 53 E 8.22 4.90 0.00 2.10 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 2.34 2.34 0.00 54 G 7.94 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 55 L 7.73 5.15 0.00 1.58 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.77 5.13 0.00 2.86 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 57 L 8.83 4.79 0.00 1.88 1.68 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.81 5.27 2.13 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 1.39 1.16 0.98 0.00 0.00 59 Y 8.49 5.40 0.00 3.10 3.13 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 60 S 8.60 4.78 0.00 3.62 3.44 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 61 Q 7.77 4.93 0.00 2.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.44 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 62 V 8.41 4.67 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.55 0.00 0.00 63 L 7.87 5.05 0.00 1.72 1.44 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.98 5.48 0.00 3.27 3.09 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 65 S 7.90 4.28 0.00 2.72 3.13 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 66 G 5.95 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.79 4.12 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 68 G 7.77 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 69 C 8.55 4.74 0.00 2.92 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 70 P 0.00 4.47 0.00 2.20 2.06 0.00 3.61 0.00 0.00 4.20 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 71 S 8.61 4.13 0.00 3.95 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 72 T 7.15 4.27 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 1.16 0.00 0.00 73 H 7.84 4.50 0.00 3.18 3.32 0.00 5.54 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.00 3.70 1.66 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 0.60 0.00 0.00 0.82 0.00 0.00 75 L 8.23 4.63 0.00 1.45 1.47 0.84 0.93 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 76 L 8.55 4.41 0.00 1.19 0.36 0.65 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.06 5.13 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 1.18 0.00 0.00 78 H 9.12 5.54 0.00 3.36 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.78 5.01 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 1.24 0.00 0.00 80 I 8.49 4.55 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.49 0.80 0.00 0.00 81 S 8.89 5.17 0.00 3.80 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 82 R 8.71 4.90 0.00 1.69 1.65 0.00 2.95 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 83 I 8.67 4.98 1.87 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 1.20 1.02 0.94 0.00 0.00 84 A 8.43 4.56 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 85 V 8.58 3.70 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 0.82 0.00 0.00 0.99 0.00 0.00 86 S 7.96 4.55 0.00 4.08 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 87 Y 7.52 4.53 0.00 2.88 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 88 Q 7.95 4.61 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 89 T 7.68 4.55 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 1.20 0.00 0.00 90 P 0.00 4.42 0.00 1.96 2.05 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 91 V 8.75 4.39 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 0.96 0.00 0.00 1.02 0.00 0.00 92 N 8.89 4.49 0.00 2.61 2.75 0.00 0.00 7.10 7.85 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 93 L 8.47 4.29 0.00 1.20 0.60 0.19 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.51 4.84 0.00 1.48 1.53 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.70 5.16 0.00 3.80 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 96 A 8.97 4.90 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 97 I 8.19 5.10 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 1.23 0.71 0.92 0.00 0.00 98 R 9.21 4.80 0.00 1.89 1.69 0.00 3.10 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 99 S 8.20 4.72 0.00 3.69 3.68 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 0.00 100 P 0.00 4.30 0.00 0.49 1.21 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 101 C 7.22 4.92 0.00 2.62 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 0.00 102 Q 8.22 4.09 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 *111 A 7.65 4.27 1.29 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 0.00 0.00 0.00 112 N 7.99 4.78 0.00 2.70 2.82 0.00 0.00 7.28 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 0.00 113 P 0.00 4.85 0.00 2.05 1.90 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 114 W 8.08 5.41 0.00 3.39 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 0.00 115 Y 9.02 5.15 0.00 2.87 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 0.00 116 E 9.82 4.77 0.00 2.23 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 0.00 2.71 2.45 0.00 117 P 0.00 5.14 0.00 2.05 2.08 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 118 I 8.81 4.77 2.00 0.00 0.00 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 1.27 1.25 1.06 0.00 0.00 119 Y 8.94 5.16 0.00 3.02 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 0.00 120 L 8.61 4.92 0.00 1.40 1.48 0.73 -0.10 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 0.00 121 G 8.44 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.21 4.19 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 0.00 0.00 0.00 123 V 8.00 5.00 1.95 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 0.81 0.00 0.00 0.93 0.00 0.00 124 F 9.72 4.99 0.00 3.02 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 0.00 125 Q 8.92 5.16 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 126 L 9.11 5.03 0.00 1.37 1.33 0.57 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.42 4.97 0.00 1.99 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 2.27 2.44 0.00 128 P 0.00 4.59 0.00 2.05 2.16 0.00 3.66 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 2.05 2.20 0.00 129 G 9.01 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 0.00 130 D 7.92 4.67 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 5.05 0.00 1.69 1.78 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 132 L 9.06 5.24 0.00 1.54 1.71 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.82 5.14 0.00 3.93 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 0.00 134 A 8.46 4.56 0.01 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 0.00 135 E 8.90 4.89 0.00 1.95 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 2.28 2.24 0.00 136 I 8.25 5.73 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.86 1.04 0.00 0.00 137 N 8.47 4.50 0.00 2.83 3.01 0.00 0.00 6.72 7.54 0.00 0.00 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 R 7.80 4.79 0.00 1.93 2.16 0.00 3.37 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 139 P 0.00 4.38 0.00 2.36 2.13 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 140 D 8.09 4.56 0.00 2.53 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 0.00 141 Y 8.20 4.60 0.00 3.50 3.27 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 0.00 142 L 7.31 4.11 0.00 1.11 0.78 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.98 4.35 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 5.00 0.00 3.09 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 0.00 145 A 8.09 4.13 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 0.00 146 E 7.69 4.81 0.00 2.23 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 0.00 2.26 2.22 0.00 147 S 8.42 4.44 0.00 4.03 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 0.00 148 G 9.02 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 0.00 149 Q 8.16 4.39 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 150 V 7.86 4.82 2.29 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 1.12 0.00 0.00 1.05 0.00 0.00 151 Y 8.64 5.30 0.00 3.03 3.09 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 0.00 152 F 8.76 5.05 0.00 1.51 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 0.00 153 G 8.28 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 0.00 154 I 8.50 5.45 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.31 0.61 0.00 0.00 155 I 8.72 5.12 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.27 1.01 0.00 0.00 156 A 8.63 3.78 0.64 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 0.00 157 L 8.52 4.22 0.00 1.43 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.