NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.1832 8.2649 123.5936 52.0736 19.1236 177.2169 12 P 4.2800 0.0000 0.0000 63.2918 31.3031 173.9251 13 Y 4.1396 7.0014 117.1659 57.0183 39.2168 174.0777 14 P 4.3732 0.0000 0.0000 63.0559 32.1697 176.8563 15 Q 4.2870 8.2658 117.6916 54.4514 28.8546 176.7890 16 A 4.1532 8.4009 121.9660 52.1085 19.2669 177.7874 17 E 4.1536 8.5843 122.9467 55.8639 30.6269 176.8768 18 K 4.2486 8.3214 121.0031 56.1416 32.0408 174.9393 19 G 4.2171 9.0852 112.8839 43.3695 0.0000 172.8816 20 M 5.2645 7.8507 117.6370 53.2564 35.3845 174.6196 21 K 4.7984 9.3992 118.4785 55.5868 36.4598 175.0965 22 R 4.7671 8.6504 122.2323 55.3067 31.7247 175.3053 23 Q 4.5649 8.8470 124.5233 54.0682 32.2120 174.3567 24 V 4.6374 8.4089 123.4926 61.0322 34.1563 174.5824 25 I 4.4249 8.5065 127.5316 59.3818 40.3331 174.1461 26 Q 4.5512 8.5040 127.7068 54.1003 30.7642 174.9606 27 L 4.2438 8.2589 126.7854 54.3670 42.6339 176.9523 28 T 4.4618 8.2026 111.1093 59.8332 70.2671 173.0830 29 P 4.8850 0.0000 0.0000 62.5710 31.9542 175.7472 30 Q 4.6572 8.6347 119.5732 53.7202 32.7095 175.6007 31 E 4.0732 8.8549 120.2017 59.1157 30.1181 177.2245 32 D 4.7258 7.5028 117.9679 52.0058 41.0553 175.0966 33 E 4.0558 8.3045 119.2534 57.4709 29.9241 178.2377 34 S 4.3945 7.9559 113.2625 60.0015 63.7654 174.6043 35 T 4.7069 7.9450 112.0369 61.3101 69.6479 173.6360 36 L 5.3554 7.8680 120.4785 53.8236 46.0670 175.5911 37 K 4.9714 9.3990 121.2573 54.5556 37.0466 175.4767 38 V 4.8880 8.7409 121.4139 60.1186 34.1101 174.0038 39 E 4.8920 9.3964 127.7269 54.6810 31.0135 174.7673 40 L 4.7965 8.6820 128.1613 54.2331 43.0184 176.6241 41 L 4.6585 9.2319 123.8659 53.3131 44.0667 175.1221 42 I 4.6323 7.7186 125.3373 59.7499 39.5314 175.6916 43 G 4.0817 8.0155 112.4165 46.8137 0.0000 171.8673 44 Q 5.0874 7.7223 117.3560 54.4355 33.7634 174.7279 45 T 4.9885 8.5974 117.7461 62.7555 69.3900 174.2259 46 L 4.9046 9.1363 128.6784 53.4152 46.4444 176.1410 47 E 5.0525 8.6431 118.2958 55.5980 30.8208 176.0927 48 V 4.6192 8.9709 118.3119 58.5888 36.7562 175.4701 49 D 4.9253 8.5005 122.2383 52.1012 41.0796 175.2455 50 C 4.3594 8.6379 112.9427 57.8310 41.5647 173.9310 51 N 4.5583 8.4084 118.1777 52.9306 38.9715 174.3506 52 L 4.2910 8.2938 120.7513 54.9581 42.6922 175.7592 53 H 5.4154 8.8538 121.1466 53.9812 31.3060 173.8218 54 R 4.7215 8.6727 121.4114 54.2675 33.6274 174.5925 55 L 4.7257 8.2299 123.6683 54.0642 44.2472 176.0228 56 G 4.2664 8.8309 111.5401 44.3279 0.0000 172.6979 57 G 4.6961 7.7540 110.5804 44.0268 0.0000 173.0571 58 K 4.7444 7.7412 123.2319 53.1146 36.1871 175.5011 59 L 5.2842 8.6236 124.1486 53.6466 44.3089 175.7268 60 E 4.7525 9.3535 124.4579 54.8440 33.5592 173.9195 61 N 4.6716 8.8627 122.9430 51.5478 38.8230 174.6846 62 K 4.4388 8.4979 122.2577 54.4914 36.2034 174.7586 63 T 4.9063 8.0839 117.2987 60.5033 69.0714 173.9027 64 L 4.4191 9.2212 131.8148 54.6491 43.2676 175.8568 65 E 4.0960 9.0805 127.7054 57.8469 29.8877 176.5933 66 G 3.9268 9.0804 113.2305 45.8590 0.0000 173.7965 67 W 4.4314 7.8346 118.0220 54.9514 31.4692 176.4791 68 G 3.9974 8.4845 104.5715 46.4272 0.0000 172.7431 69 Y 4.9826 7.9361 116.5129 57.0459 40.1455 173.9763 70 D 5.5064 8.7427 121.0204 52.8363 43.4625 175.4025 71 Y 4.9599 8.3195 119.9747 55.8160 41.9457 173.5899 72 Y 5.1913 9.6777 119.3878 56.4652 41.5053 174.7328 73 V 5.0346 9.3196 121.5398 61.3207 34.7554 174.0289 74 F 5.2475 9.5344 131.4398 56.8992 40.3106 173.5151 75 D 4.7758 8.0960 125.0950 51.5731 45.5031 174.9291 76 K 3.8573 8.1997 115.9931 57.3005 29.1475 176.0879 77 V 4.6861 7.4723 117.5238 62.6010 32.4427 175.6010 78 S 4.9265 8.3527 122.5204 56.3564 66.5604 173.6920 79 S 4.2933 8.6831 118.6681 57.9625 63.4631 172.4876 80 P 5.1250 0.0000 0.0000 63.1508 31.7361 176.1394 81 V 4.4575 8.4501 117.0925 60.5221 33.7578 175.0253 82 S 5.5392 8.4790 116.8283 56.8275 66.0849 173.6311 83 T 4.0562 8.3711 110.6177 61.6102 69.4753 173.9968 84 M 4.5724 8.2524 121.0958 55.2457 32.5625 176.1066 85 M 4.4405 7.8293 115.1865 54.2136 33.4389 174.6592 86 H 4.6872 8.4911 119.3338 54.8740 31.1646 175.2753 87 C 4.7347 8.2315 124.1740 55.1832 42.0087 172.5397 88 P 4.4829 0.0000 0.0000 62.4746 29.4523 176.4596 89 D 4.3988 7.4940 121.3109 53.5627 41.0121 177.2925 *92 K 4.2243 8.3032 119.1538 56.5683 33.2273 175.4575 93 E 4.6957 8.4680 121.8190 54.4455 33.0871 174.5246 94 K 5.0050 8.4081 118.9409 55.6273 33.0314 176.9105 95 K 4.6772 9.2701 123.6772 54.7622 37.2236 175.6758 96 F 4.9808 8.8381 125.3897 57.1330 39.5672 175.1725 97 V 3.8104 8.3536 127.7466 62.4049 32.4275 174.9203 98 T 4.4881 8.2022 125.2283 62.6486 69.9932 174.2819 99 A 4.6250 8.8688 128.1508 51.0359 19.7309 176.8639 100 Y 4.3618 8.6523 122.7215 56.7128 38.4680 175.2824 101 L 4.2137 8.2072 127.7720 54.8482 43.4951 178.6922 102 G 3.2774 6.0827 106.7241 46.6882 0.0000 176.4810 103 D 4.3931 8.5239 125.6022 55.4673 41.1214 177.9628 104 A 4.0629 7.9399 120.9464 54.2964 18.6157 178.0808 105 G 3.6999 7.8797 103.5922 46.0782 0.0000 172.8870 106 M 4.5102 7.3536 120.7173 54.0790 31.4512 175.4876 107 L 4.5639 8.7830 126.3628 53.3327 44.1533 175.5123 108 R 4.6862 8.2501 116.4379 55.3917 31.2329 175.4508 109 Y 4.0612 8.1668 123.0743 57.2929 39.5429 175.0274 110 N 4.8566 8.0962 125.8186 52.8161 39.8748 174.3980 111 S 4.3835 9.5142 121.0033 59.2373 63.6520 176.8763 112 K 4.0472 8.2013 121.3803 58.6783 32.0007 177.1390 113 L 4.7720 7.2202 115.2273 51.9770 45.1540 173.9426 114 P 4.7108 0.0000 0.0000 61.7944 33.2998 175.3103 115 I 4.0262 8.3068 123.4964 60.8982 38.3792 174.9353 116 V 4.4096 8.3102 127.6277 61.0587 33.5913 174.4574 117 V 4.9373 8.4340 121.4833 59.7757 34.9093 174.2404 118 Y 5.1886 9.3503 123.8167 56.7626 39.6485 175.0025 119 T 5.2409 8.9632 114.1932 58.8803 72.9011 171.9697 120 P 4.8968 0.0000 0.0000 62.3486 32.0157 177.2780 121 D 4.4895 8.7127 120.6283 57.7830 40.9155 179.4995 122 N 4.4206 8.1050 114.6085 55.2456 37.9356 175.7015 123 V 4.0418 7.4899 119.1967 62.8542 32.1607 175.3350 124 D 5.1678 9.6315 127.4794 52.5979 43.9789 175.2276 125 V 4.8427 8.4284 120.9781 61.2964 34.1630 174.6848 126 K 4.8965 9.1583 125.9452 55.3914 37.1047 174.0234 127 Y 5.7634 7.6945 117.5440 57.2735 41.0846 174.1136 128 R 4.6405 8.4834 118.6947 55.2201 33.5484 174.0816 129 V 4.6699 8.5791 126.2337 62.6474 32.8824 174.9553 130 W 4.9372 9.4144 125.3686 54.8330 32.7081 174.4660 131 K 5.1228 8.8536 122.4710 54.5178 34.6331 175.3696 132 A 4.5284 8.6186 125.8233 50.8602 18.9294 177.2367 133 E 4.1035 8.7281 122.8644 55.6973 30.5350 177.4598 134 E 4.0739 8.8006 127.8605 59.1609 30.1125 177.9564 135 K 4.2111 7.2837 117.6832 54.0271 32.2980 180.7985 136 I 4.4695 8.2788 123.9802 58.9515 39.1114 174.7846 137 D 4.9243 8.5538 124.5546 52.6620 43.4347 175.1246 138 N 4.8484 8.3712 116.9454 51.7028 40.8535 174.3742 139 A 4.5839 8.1363 122.6577 50.1819 20.2692 177.5146 140 V 3.6737 8.2699 123.1647 63.0302 32.2756 175.2564 141 V 3.9260 8.3305 127.7051 63.1170 32.3076 176.7221 142 R 4.2684 8.6397 124.4883 56.7612 29.1361 172.4357 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 11 A 8.26 4.18 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 12 P 0.00 4.28 0.00 1.23 1.65 0.00 2.32 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.15 0.00 13 Y 7.00 4.14 0.00 2.97 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 14 P 0.00 4.37 0.00 2.00 1.94 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 15 Q 8.27 4.29 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 16 A 8.40 4.15 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 17 E 8.58 4.15 0.00 2.14 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 2.33 2.30 0.00 18 K 8.32 4.25 0.00 1.80 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.01 7.81 19 G 9.09 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 0.00 0.00 0.00 0.00 20 M 7.85 5.26 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 21 K 9.40 4.80 0.00 1.77 1.89 0.00 1.32 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.43 7.81 22 R 8.65 4.77 0.00 2.03 1.88 0.00 2.96 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.00 23 Q 8.85 4.56 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 V 8.41 4.64 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 0.66 0.00 0.00 0.76 0.00 0.00 25 I 8.51 4.42 1.54 0.00 0.00 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 1.01 0.50 0.04 0.00 0.00 26 Q 8.50 4.55 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 27 L 8.26 4.24 0.00 1.27 1.25 -0.37 0.58 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 28 T 8.20 4.46 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 1.26 0.00 0.00 29 P 0.00 4.88 0.00 2.09 2.07 0.00 3.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 30 Q 8.63 4.66 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 31 E 8.85 4.07 0.00 1.89 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 0.00 2.28 2.34 0.00 32 D 7.50 4.73 0.00 2.71 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 33 E 8.30 4.06 0.00 2.08 2.33 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 2.21 2.31 0.00 34 S 7.96 4.39 0.00 3.99 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 35 T 7.95 4.71 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 1.22 0.00 0.00 36 L 7.87 5.36 0.00 1.46 1.45 0.28 0.62 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 37 K 9.40 4.97 0.00 1.72 1.72 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 38 V 8.74 4.89 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 0.73 0.00 0.00 0.86 0.00 0.00 39 E 9.40 4.89 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 40 L 8.68 4.80 0.00 1.44 1.49 0.54 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.23 4.66 0.00 1.68 1.83 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.72 4.63 1.15 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 -0.34 0.00 0.00 43 G 8.02 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.72 5.09 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 45 T 8.60 4.99 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 1.27 0.00 0.00 46 L 9.14 4.90 0.00 1.50 1.48 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.64 5.05 0.00 1.74 1.75 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 2.15 1.89 0.00 48 V 8.97 4.62 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 0.40 0.00 0.00 0.90 0.00 0.00 49 D 8.50 4.93 0.00 2.76 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 50 C 8.64 4.36 0.00 3.10 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 51 N 8.41 4.56 0.00 2.80 2.67 0.00 0.00 7.01 7.63 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 52 L 8.29 4.29 0.00 1.59 1.57 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.85 5.42 0.00 2.97 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.67 4.72 0.00 1.71 1.80 0.00 3.32 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 55 L 8.23 4.73 0.00 1.83 1.55 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.83 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 0.00 0.00 0.00 0.00 57 G 7.75 4.70 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 0.00 0.00 0.00 58 K 7.74 4.74 0.00 1.39 1.61 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.23 7.81 59 L 8.62 5.28 0.00 1.82 1.68 1.12 0.84 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 60 E 9.35 4.75 0.00 2.03 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 2.24 2.40 0.00 61 N 8.86 4.67 0.00 2.14 2.65 0.00 0.00 6.08 7.13 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 62 K 8.50 4.44 0.00 0.79 1.31 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.10 7.81 63 T 8.08 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 64 L 9.22 4.42 0.00 2.06 1.67 0.93 -0.02 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 65 E 9.08 4.10 0.00 2.03 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 2.33 2.35 0.00 66 G 9.08 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 67 W 7.83 4.43 0.00 2.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.48 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 69 Y 7.94 4.98 0.00 2.98 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 70 D 8.74 5.51 0.00 2.53 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 0.00 0.00 0.00 0.00 71 Y 8.32 4.96 0.00 3.12 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 72 Y 9.68 5.19 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.32 5.03 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 1.15 0.00 0.00 1.18 0.00 0.00 74 F 9.53 5.25 0.00 3.06 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 75 D 8.10 4.78 0.00 2.82 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 0.00 0.00 0.00 0.00 76 K 8.20 3.86 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 77 V 7.47 4.69 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 0.87 0.00 0.00 0.95 0.00 0.00 78 S 8.35 4.93 0.00 3.78 3.70 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 79 S 8.68 4.29 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.13 0.00 1.97 2.07 0.00 3.72 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 81 V 8.45 4.46 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 0.82 0.00 0.00 0.92 0.00 0.00 82 S 8.48 5.54 0.00 3.57 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 83 T 8.37 4.06 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 1.17 0.00 0.00 84 M 8.25 4.57 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 85 M 7.83 4.44 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 86 H 8.49 4.69 0.00 3.13 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.23 4.73 0.00 2.93 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 88 P 0.00 4.48 0.00 2.18 2.09 0.00 3.75 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 1.98 1.95 0.00 89 D 7.49 4.40 0.00 2.72 2.50 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 0.00 0.00 0.00 0.00 *92 K 8.30 4.22 0.00 1.76 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 93 E 8.47 4.70 0.00 2.04 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 2.20 2.26 0.00 94 K 8.41 5.00 0.00 1.67 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 95 K 9.27 4.68 0.00 1.62 1.66 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.38 1.39 7.81 96 F 8.84 4.98 0.00 2.94 3.04 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 97 V 8.35 3.81 1.96 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 0.88 0.00 0.00 0.88 0.00 0.00 98 T 8.20 4.49 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 1.25 0.00 0.00 99 A 8.87 4.62 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 0.00 100 Y 8.65 4.36 0.00 2.91 2.94 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 0.00 0.00 0.00 101 L 8.21 4.21 0.00 1.51 1.60 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.08 3.28 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 0.00 0.00 0.00 103 D 8.52 4.39 0.00 2.66 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 0.00 104 A 7.94 4.06 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 0.00 105 G 7.88 3.70 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 0.00 0.00 0.00 106 M 7.35 4.51 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 107 L 8.78 4.56 0.00 1.52 1.52 0.39 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.25 4.69 0.00 1.85 1.94 0.00 3.06 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 109 Y 8.17 4.06 0.00 3.10 3.08 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 0.00 0.00 0.00 110 N 8.10 4.86 0.00 2.79 2.57 0.00 0.00 6.96 7.63 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 0.00 111 S 9.51 4.38 0.00 4.13 4.34 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 0.00 112 K 8.20 4.05 0.00 1.92 1.91 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 113 L 7.22 4.77 0.00 1.46 1.29 0.45 0.54 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 0.00 114 P 0.00 4.71 0.00 1.90 1.93 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 115 I 8.31 4.03 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.46 0.74 0.00 0.00 116 V 8.31 4.41 1.48 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 0.28 0.00 0.00 0.13 0.00 0.00 117 V 8.43 4.94 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 0.71 0.00 0.00 0.93 0.00 0.00 118 Y 9.35 5.19 0.00 2.97 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 0.00 119 T 8.96 5.24 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 120 P 0.00 4.90 0.00 2.45 2.07 0.00 3.86 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 121 D 8.71 4.49 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.11 4.42 0.00 2.85 2.98 0.00 0.00 5.96 7.68 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 0.00 123 V 7.49 4.04 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 0.84 0.00 0.00 1.16 0.00 0.00 124 D 9.63 5.17 0.00 2.97 2.60 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 0.00 125 V 8.43 4.84 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.88 0.00 0.00 126 K 9.16 4.90 0.00 1.58 1.43 0.00 0.75 0.00 0.00 1.26 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.98 7.81 127 Y 7.69 5.76 0.00 2.99 2.84 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 0.00 128 R 8.48 4.64 0.00 1.86 1.88 0.00 2.91 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 129 V 8.58 4.67 2.16 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 0.97 0.00 0.00 1.23 0.00 0.00 130 W 9.41 4.94 0.00 3.27 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 0.00 131 K 8.85 5.12 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.39 7.81 132 A 8.62 4.53 1.28 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 0.00 0.00 133 E 8.73 4.10 0.00 2.04 1.84 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 2.38 2.30 0.00 134 E 8.80 4.07 0.00 1.97 1.97 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 2.29 2.31 0.00 135 K 7.28 4.21 0.00 1.82 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.28 7.81 136 I 8.28 4.47 1.88 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 1.42 1.10 0.92 0.00 0.00 137 D 8.55 4.92 0.00 2.64 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 0.00 138 N 8.37 4.85 0.00 2.69 2.73 0.00 0.00 6.74 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 0.00 139 A 8.14 4.58 1.24 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 0.00 0.00 0.00 140 V 8.27 3.67 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 0.80 0.00 0.00 0.93 0.00 0.00 141 V 8.33 3.93 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 0.00 142 R 8.64 4.27 0.00 2.05 1.80 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.