NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1732 8.2548 109.1046 45.0923 0.0000 174.4858 17 I 3.8613 7.2455 120.3597 62.8623 37.8145 175.3258 18 T 3.8483 7.7772 116.4584 63.4331 70.0706 174.0680 19 G 3.4812 7.4458 112.6832 44.8087 0.0000 171.3391 20 T 4.7474 7.5817 117.1443 61.6337 70.4468 174.4325 21 W 5.0948 8.8152 124.8386 55.0880 33.8205 173.8590 22 Y 5.5143 9.4504 119.5277 56.5350 41.8457 174.9807 23 N 6.0055 9.0613 121.1121 50.2628 40.1296 175.6024 24 Q 4.1389 8.6690 115.7975 58.5406 28.7265 176.8740 25 L 4.2784 8.1521 116.9277 54.8799 42.0911 177.3443 26 G 4.0411 8.1901 107.3721 45.0161 0.0000 174.1219 27 S 4.8787 8.3739 116.4693 58.5647 64.4315 173.1488 28 T 4.7383 8.6206 112.7332 59.8250 71.5105 172.6875 29 F 4.7753 9.2717 127.7841 56.4099 42.0016 173.3010 30 I 4.6418 8.5283 128.2019 59.0217 39.9166 174.6553 31 V 4.6020 8.2078 128.0957 60.2058 35.4187 174.0864 32 T 4.6354 8.6889 119.1604 61.7165 71.3409 172.9306 33 A 4.5039 8.6959 129.6773 50.2152 19.8180 177.2821 34 G 3.8230 9.2581 111.8478 45.3484 0.0000 173.9554 35 A 4.0707 8.6067 122.8757 54.5305 18.4645 178.3962 36 D 4.6391 8.0854 112.7359 53.8039 41.5497 176.2380 37 G 3.2639 7.7628 107.2316 44.7551 0.0000 173.8145 38 A 4.5613 8.1413 122.8704 51.5925 20.1651 176.5421 39 L 5.2891 8.9019 121.6759 53.1249 44.5749 175.8803 40 T 4.9086 8.5113 113.2149 59.6614 72.4326 174.0304 41 G 4.0907 7.7329 110.9311 46.4247 0.0000 171.4958 42 T 5.2883 8.0077 111.3263 60.2069 72.9425 172.8052 43 Y 5.0657 9.3261 123.9535 55.9232 42.4200 173.9166 44 E 5.7758 8.7416 125.4798 53.5134 32.4106 176.3272 45 S 4.6591 9.7910 117.1499 59.0015 62.2350 173.7266 46 A 4.5928 8.1233 118.0637 53.3592 19.7602 177.5845 *51 I 3.7684 7.7242 109.7967 59.7113 40.0876 176.7349 52 K 4.7249 7.9128 118.7217 56.0280 33.4510 175.0997 53 R 5.1887 7.7961 120.6235 55.1108 31.7051 175.0025 54 Y 4.8677 9.0658 122.5683 55.8698 42.4786 174.9883 55 V 4.3436 8.6062 122.6365 62.9741 32.6980 175.0707 56 L 5.4659 8.7937 126.4669 53.3610 44.0082 175.1525 57 T 5.0382 8.2616 113.6730 61.3610 71.4165 173.2589 58 G 4.6396 8.6687 111.4541 46.5672 0.0000 172.1313 59 R 5.5784 8.7106 117.9752 55.0584 34.9436 174.0422 60 Y 5.3025 8.8117 119.1503 55.1847 41.8677 174.6317 61 D 4.2929 9.0402 120.5797 54.0841 40.6748 176.8441 62 S 4.2070 8.0985 120.7806 58.9955 64.0393 174.4049 63 A 4.6605 7.9680 123.4554 49.9606 18.5109 173.6767 64 P 4.8323 0.0000 0.0000 60.7717 32.7227 177.2082 65 A 4.2144 8.4195 122.0674 53.0182 18.6779 177.4584 66 T 4.6663 8.3103 108.8834 61.7646 69.3179 174.6365 67 D 4.7594 8.5446 118.6903 54.1621 39.7178 176.7601 68 G 3.9889 8.2997 107.5426 45.5570 0.0000 174.4333 69 S 4.2974 7.8585 115.6331 58.0705 63.3507 174.1660 70 G 3.9881 8.4012 110.4029 46.5805 0.0000 172.5877 71 T 4.8334 8.9644 116.7111 61.5228 70.3404 174.8005 72 A 4.8649 8.7132 129.1807 52.2101 19.9830 175.8381 73 L 5.0219 8.9642 120.0606 55.6084 44.6300 173.9167 74 G 4.6409 9.2578 105.2883 45.6211 0.0000 172.1282 75 W 5.8194 8.6115 117.4081 55.5601 32.4824 173.4141 76 T 5.1766 9.2660 116.6044 61.7713 71.9432 173.3301 77 V 4.6537 8.7375 124.8236 60.9307 34.2028 173.9908 78 A 4.5712 8.3602 129.7491 49.9311 20.0197 177.4825 79 W 4.1585 8.7225 125.1896 56.6358 29.0079 176.4264 80 K 5.1984 8.0469 118.6240 54.6494 34.4855 174.2508 81 N 5.1349 8.8102 123.6796 51.5467 39.7988 173.5905 82 N 4.2519 8.5477 113.7784 55.7403 38.6140 175.1751 83 Y 4.7322 8.0307 113.8870 57.7791 40.2460 175.6182 84 R 4.6416 7.6952 118.4648 55.0787 33.0344 173.1993 85 N 5.2212 8.5296 121.3146 52.1997 40.6251 173.7467 86 A 4.2014 9.0771 128.7150 52.0796 19.8045 176.3616 87 H 4.1429 8.4750 113.6224 55.7078 26.7032 173.0475 88 S 5.1970 7.3102 112.3075 57.9298 66.8432 175.2101 89 A 5.1043 9.0500 121.3559 50.8789 22.7893 175.2122 90 T 4.8992 8.8111 118.5008 61.7343 71.6784 173.3754 91 T 4.8893 8.4195 115.7967 59.6334 71.7595 172.8655 92 W 4.9540 8.6081 125.0646 54.8132 31.6180 174.7691 93 S 4.9617 8.6989 119.5664 56.8245 64.9185 173.1511 94 G 4.6146 8.5693 112.9145 46.5014 0.0000 171.6567 95 Q 5.3383 8.3956 117.7590 54.7834 32.5944 173.6615 96 Y 4.8821 9.2362 123.7589 57.0729 40.6168 174.0982 97 V 4.1990 8.3464 126.6687 61.0077 34.2359 176.0184 98 G 4.0257 8.1290 118.1000 44.2731 0.0000 170.8220 99 G 3.7365 8.7858 104.1933 44.0896 0.0000 174.3870 100 A 4.0936 8.5170 120.8218 54.1506 18.9579 178.0155 101 E 4.6797 7.2109 109.9755 54.6686 29.0900 176.1349 102 A 4.5282 7.7238 120.5619 53.4195 19.7988 178.5107 103 R 5.2816 9.0822 116.2223 54.8554 33.8606 174.1559 104 I 4.9395 8.9232 121.5880 59.9103 39.9138 174.2325 105 N 5.3811 9.0236 126.1242 52.1119 40.1005 174.7192 106 T 5.3150 9.1349 113.3561 60.0817 72.9445 172.7764 107 Q 4.9938 9.0108 121.0624 53.9318 32.5710 174.6893 108 W 5.4588 8.4839 118.1256 54.7367 32.3602 173.8361 109 L 5.1717 8.7327 120.4243 52.9844 44.7939 175.2560 110 L 4.8977 9.3245 126.9926 53.8116 44.0847 174.8341 111 T 4.9085 8.6958 124.3686 62.2518 70.2980 174.4033 112 S 4.9674 8.8013 123.3965 56.8229 64.6687 174.5200 113 G 3.8437 8.7312 112.0463 46.7575 0.0000 172.9899 114 T 4.8057 8.3206 114.3972 59.4926 72.4844 173.2727 115 T 4.1936 8.0552 111.6369 61.0527 70.0201 175.2849 116 E 3.9830 8.8258 121.3430 59.6609 29.1355 179.5201 117 A 4.1678 8.0723 119.4017 54.4536 18.8060 178.2087 118 N 4.7107 7.7736 112.1798 53.2683 38.9744 176.8323 119 A 4.1637 8.0974 126.1521 54.1561 18.1722 180.0911 120 W 4.2875 8.3399 113.9609 58.6584 28.2554 176.7962 121 K 4.0291 6.4023 117.4157 56.0509 32.1484 177.5642 122 S 4.1191 7.8366 117.0687 61.1536 63.3920 173.4175 123 T 5.0193 7.5040 116.9641 61.6662 70.9182 173.6644 124 L 4.6783 8.9249 127.3274 53.7331 43.7446 176.2504 125 V 4.4173 7.8654 120.5312 60.3416 34.4232 175.2296 126 G 3.0943 6.3391 108.1237 45.7913 0.0000 170.8991 127 H 5.3242 7.9731 114.5029 54.2026 31.6263 172.6462 128 D 5.2924 9.1859 121.6821 52.8609 44.7698 174.6629 129 T 5.1794 8.8368 119.3381 61.9579 71.0865 173.3350 130 F 5.7683 9.5639 125.5983 56.0954 41.8601 174.8806 131 T 5.7214 9.3941 112.3765 59.9642 72.2167 174.9350 132 K 3.7060 8.8723 120.2179 57.6420 32.4674 177.3592 133 V 4.4944 7.4331 117.1680 60.3851 34.4801 175.1694 134 K 3.8919 8.0863 121.7163 56.6398 31.8615 177.1984 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.25 3.86 1.33 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.30 0.52 0.00 0.00 18 T 7.78 3.85 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 1.15 0.00 0.00 19 G 7.45 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 4.75 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 0.73 0.00 0.00 21 W 8.82 5.09 0.00 3.25 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 22 Y 9.45 5.51 0.00 2.97 2.87 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 23 N 9.06 6.01 0.00 2.45 1.64 0.00 0.00 6.62 7.03 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 24 Q 8.67 4.14 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.15 4.28 0.00 1.91 1.81 1.01 1.02 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 26 G 8.19 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 27 S 8.37 4.88 0.00 4.15 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 28 T 8.62 4.74 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 1.45 0.00 0.00 29 F 9.27 4.78 0.00 2.54 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 30 I 8.53 4.64 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.88 0.00 0.00 31 V 8.21 4.60 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.60 0.00 0.00 32 T 8.69 4.64 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 1.14 0.00 0.00 33 A 8.70 4.50 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.61 4.07 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 36 D 8.09 4.64 0.00 2.65 2.65 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 37 G 7.76 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 0.00 0.00 0.00 38 A 8.14 4.56 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 39 L 8.90 5.29 0.00 1.81 1.54 1.30 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.51 4.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 G 7.73 4.09 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 0.00 42 T 8.01 5.29 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 Y 9.33 5.07 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.74 5.78 0.00 1.94 1.92 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 2.30 2.12 0.00 45 S 9.79 4.66 0.00 4.14 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 46 A 8.12 4.59 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 *51 I 7.72 3.77 1.57 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.64 0.00 0.00 52 K 7.91 4.72 0.00 1.86 2.02 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 53 R 7.80 5.19 0.00 1.83 1.78 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 54 Y 9.07 4.87 0.00 2.87 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 55 V 8.61 4.34 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 0.81 0.00 0.00 0.94 0.00 0.00 56 L 8.79 5.47 0.00 2.05 1.79 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.26 5.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.67 4.64 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 0.00 59 R 8.71 5.58 0.00 1.78 1.81 0.00 3.29 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 60 Y 8.81 5.30 0.00 3.06 2.85 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 61 D 9.04 4.29 0.00 2.80 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 62 S 8.10 4.21 0.00 3.96 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 63 A 7.97 4.66 1.21 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 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.83 0.00 2.27 2.17 0.00 3.44 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.42 4.21 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 66 T 8.31 4.67 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 1.24 0.00 0.00 67 D 8.54 4.76 0.00 2.79 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 68 G 8.30 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 69 S 7.86 4.30 0.00 3.97 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 70 G 8.40 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 71 T 8.96 4.83 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 72 A 8.71 4.86 1.30 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 0.00 0.00 0.00 73 L 8.96 5.02 0.00 2.10 1.96 1.00 0.58 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 74 G 9.26 4.64 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 0.00 75 W 8.61 5.82 0.00 3.53 3.29 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 76 T 9.27 5.18 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 1.21 0.00 0.00 77 V 8.74 4.65 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.79 0.00 0.00 78 A 8.36 4.57 1.20 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 79 W 8.72 4.16 0.00 3.30 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 80 K 8.05 5.20 0.00 1.89 1.74 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 81 N 8.81 5.13 0.00 2.65 2.44 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 82 N 8.55 4.25 0.00 1.55 2.21 0.00 0.00 6.59 7.46 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 83 Y 8.03 4.73 0.00 3.01 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 84 R 7.70 4.64 0.00 1.95 1.96 0.00 3.37 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 85 N 8.53 5.22 0.00 2.67 2.56 0.00 0.00 6.99 7.96 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 86 A 9.08 4.20 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 87 H 8.48 4.14 0.00 3.35 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.31 5.20 0.00 3.97 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 89 A 9.05 5.10 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 90 T 8.81 4.90 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 -0.34 0.00 0.00 91 T 8.42 4.89 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 1.15 0.00 0.00 92 W 8.61 4.95 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.70 4.96 0.00 3.79 3.63 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 94 G 8.57 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 0.00 0.00 0.00 0.00 95 Q 8.40 5.34 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 Y 9.24 4.88 0.00 3.04 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 97 V 8.35 4.20 1.98 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 0.85 0.00 0.00 0.91 0.00 0.00 98 G 8.13 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 99 G 8.79 3.74 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 0.00 0.00 0.00 100 A 8.52 4.09 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 0.00 101 E 7.21 4.68 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 102 A 7.72 4.53 1.54 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 0.00 103 R 9.08 5.28 0.00 2.07 2.13 0.00 2.77 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 104 I 8.92 4.94 1.79 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 0.98 -0.32 1.03 0.00 0.00 105 N 9.02 5.38 0.00 2.73 2.81 0.00 0.00 6.11 6.65 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 0.00 106 T 9.13 5.32 4.46 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 1.50 0.00 0.00 107 Q 9.01 4.99 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 108 W 8.48 5.46 0.00 2.55 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 0.00 0.00 0.00 0.00 109 L 8.73 5.17 0.00 1.52 1.54 0.87 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.32 4.90 0.00 1.54 1.67 0.89 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.70 4.91 4.23 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 1.19 0.00 0.00 112 S 8.80 4.97 0.00 3.67 3.74 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 0.00 113 G 8.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.32 4.81 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 1.19 0.00 0.00 115 T 8.06 4.19 4.25 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 1.21 0.00 0.00 116 E 8.83 3.98 0.00 2.05 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 2.41 2.39 0.00 117 A 8.07 4.17 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 0.00 118 N 7.77 4.71 0.00 2.68 2.67 0.00 0.00 6.80 8.73 0.00 0.00 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 A 8.10 4.16 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 0.00 120 W 8.34 4.29 0.00 3.58 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 0.00 121 K 6.40 4.03 0.00 1.09 0.74 0.00 1.18 0.00 0.00 1.12 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.84 4.12 0.00 4.14 4.12 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 0.00 0.00 0.00 123 T 7.50 5.02 4.21 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 0.00 0.00 1.19 0.00 0.00 124 L 8.92 4.68 0.00 1.80 1.77 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.87 4.42 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 0.55 0.00 0.00 0.69 0.00 0.00 126 G 6.34 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 0.00 0.00 0.00 127 H 7.97 5.32 0.00 3.15 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.19 5.29 0.00 3.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.84 5.18 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 1.40 0.00 0.00 130 F 9.56 5.77 0.00 3.01 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 0.00 131 T 9.39 5.72 4.42 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 0.00 0.00 0.00 1.40 0.00 0.00 132 K 8.87 3.71 0.00 1.61 1.66 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.57 0.89 7.81 133 V 7.43 4.49 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 0.77 0.00 0.00 0.92 0.00 0.00 134 K 8.09 3.89 0.00 1.48 1.45 0.00 1.37 0.00 0.00 1.22 0.00 0.00 2.22 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.82 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.