NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2619 8.4445 119.1136 53.9123 29.7052 175.7758 4 L 3.8113 7.7233 119.6236 54.4424 41.4205 178.1785 5 T 4.2976 8.2143 116.8888 60.5900 70.3555 175.1136 6 E 3.9743 8.5913 122.1642 59.6626 29.0693 178.5191 7 E 3.8959 8.2938 120.6310 58.9383 29.3879 178.4482 8 Q 4.1039 7.5952 116.5888 58.4420 29.1376 177.8878 9 I 4.2985 8.6913 121.7943 63.9586 37.7212 177.4229 10 A 4.0694 8.1451 121.1286 55.6442 18.0340 179.1507 11 E 3.8624 7.8859 115.7142 59.6699 29.2314 179.4100 12 F 4.6906 7.8887 116.2370 59.2757 39.1130 176.2878 13 K 4.4535 7.8334 116.5323 58.1795 33.9881 177.5679 14 E 3.9973 8.7122 118.8650 59.7405 29.3593 179.7689 15 A 4.0261 8.6662 120.5457 55.2950 18.3530 179.3217 16 F 3.6912 7.5513 118.1077 61.4133 39.4451 177.4003 17 S 4.1382 8.9158 114.9865 61.5532 62.6897 176.1335 18 L 3.3900 7.4927 121.2539 57.4792 41.6336 177.5754 19 F 4.4613 7.6147 115.1696 57.0697 39.2115 175.7124 20 D 4.4151 8.3734 124.1804 51.9112 38.9474 176.0665 21 K 3.6545 7.7265 122.7379 59.6832 33.2898 178.1281 22 D 4.5428 8.2648 118.6051 59.3238 37.8117 179.0632 23 G 3.9840 6.8597 104.7645 47.6129 0.0000 174.6709 24 D 4.3428 10.2135 119.3893 53.3633 38.6008 176.0988 25 G 4.0829 7.2614 108.8384 44.4714 0.0000 172.7316 26 T 4.9501 8.1703 109.1113 59.3131 71.5373 173.1268 27 I 4.6754 8.1525 116.1202 58.7866 40.3944 176.5195 28 T 4.3552 9.2135 113.6449 61.8485 71.0241 174.9350 29 T 3.9244 8.2767 116.1504 67.1345 68.9105 176.9957 30 K 3.8893 8.0440 119.7525 59.7237 31.8281 179.0551 31 E 3.9899 8.4839 118.3295 59.1035 29.5260 178.9324 32 L 4.0995 7.7828 120.4106 58.2979 42.0604 179.1020 33 G 3.9549 8.0137 104.6082 48.5447 0.0000 175.2071 34 T 4.1343 7.7793 117.2086 65.6872 68.4453 177.1017 35 V 2.7864 7.4967 116.7701 64.3344 31.0754 177.4587 *37 R 5.0794 8.0735 115.9759 56.5722 31.9210 177.5889 38 S 3.8575 7.7969 111.3333 61.6074 62.6486 175.6673 39 L 3.9995 7.3901 117.8084 55.3740 41.2024 177.5862 40 G 3.8488 9.1518 108.3400 45.7381 0.0000 173.0896 41 Q 4.7636 7.2214 119.4288 55.0342 31.8367 173.9776 42 N 4.6507 7.9984 110.1735 52.2050 37.5187 172.4055 43 P 4.4665 0.0000 0.0000 62.9347 32.5631 176.7342 44 T 4.3021 8.2235 109.3874 60.9018 69.9462 175.7395 45 E 3.8302 8.7571 122.7595 59.5776 29.6706 178.6512 46 A 4.3549 7.8906 120.0777 53.8031 19.6851 178.4725 47 E 4.0909 8.2957 115.6369 58.4222 29.6644 178.1892 48 L 4.1305 7.8326 119.5979 58.0038 42.0896 178.3609 49 Q 4.2285 7.9958 118.3928 58.5866 27.8959 177.7452 50 D 4.2649 7.7361 120.2442 55.8902 42.0774 178.8989 *52 I 4.0264 7.9695 120.4419 61.1432 39.4769 176.9393 53 N 4.0729 9.0212 118.0552 56.6895 38.6745 174.3336 54 E 4.4729 7.4058 116.7347 55.9395 29.8771 177.1327 55 V 4.2458 8.3071 112.7567 61.2454 35.0415 174.4713 56 D 4.9824 8.6048 127.5823 53.7755 41.3056 176.5951 57 A 4.8164 7.9366 116.3513 52.3908 19.5899 177.5216 58 D 4.8284 8.3214 116.1576 55.2156 42.0948 176.0293 59 G 3.7736 8.5087 107.5399 45.8401 0.0000 173.0485 60 N 5.2191 8.0771 121.2874 56.9481 38.4123 174.4823 61 G 4.1374 8.7947 115.8229 45.4896 0.0000 172.8174 62 T 4.5268 7.9669 110.2320 61.6868 70.3763 172.1935 63 I 4.6577 8.3280 122.4738 59.5172 40.6554 175.3717 64 D 5.2180 8.1164 122.7451 52.5154 42.6468 176.2655 65 F 3.1820 9.4738 115.6333 60.5841 38.9664 175.6019 66 P 4.1717 0.0000 0.0000 66.0873 31.1208 178.7484 67 E 3.5569 10.2202 115.9002 59.0841 29.3526 179.0666 68 F 4.4676 7.2533 119.4568 60.4361 39.9177 176.7647 69 L 3.6840 8.1093 119.1194 57.5719 42.4712 177.7519 70 T 3.7856 8.0327 117.0914 62.8921 66.1007 174.1468 *73 A 4.1584 7.5643 127.0806 51.2177 20.9483 179.8840 74 R 3.6803 6.6031 114.1618 58.1380 31.5103 178.8468 75 K 4.3753 7.6838 117.9910 56.3842 32.8165 176.4961 *77 K 4.5291 7.8598 114.4704 55.2888 33.3862 174.7259 78 D 4.8046 8.0020 116.6276 55.5423 47.3800 175.0620 79 T 4.0002 7.0156 111.2252 62.8033 67.8964 174.1932 80 D 4.6826 8.4106 124.2715 54.4346 44.2303 177.3754 81 S 4.3066 8.2952 118.1285 61.3507 62.6315 175.5981 82 E 3.9394 8.3211 121.8625 59.1285 29.3751 178.3900 83 E 4.1381 8.0746 118.8060 59.1128 29.8000 177.9543 84 E 3.9940 8.2542 118.0743 59.9502 29.6298 179.2996 85 I 3.4780 7.8377 119.3569 64.7170 37.2546 178.2006 86 R 4.3955 8.2755 119.0251 58.7512 29.6878 177.9976 87 E 4.2072 8.1210 116.9759 58.4134 30.1735 177.9431 88 A 4.3508 9.0923 122.2807 55.3102 18.5219 179.0730 89 F 3.2109 8.4835 118.8988 61.6510 39.1958 177.6228 90 R 3.9116 7.9149 115.4844 58.8332 29.8224 179.1535 91 V 3.6657 7.5261 117.6850 66.1322 31.7326 177.9276 92 F 4.1684 8.2211 115.2128 59.0925 39.6363 176.2435 93 D 4.6160 7.5837 119.5942 52.5946 38.2977 176.4358 94 K 4.0823 8.2664 121.7459 58.1796 32.6181 177.7475 95 D 4.6000 7.7919 116.6131 52.7445 40.0005 177.2630 96 G 3.9109 8.3778 108.4068 46.0114 0.0000 174.1399 97 N 4.5437 8.3063 115.8861 52.9691 37.9398 176.1803 98 G 3.9687 9.0119 107.6889 45.5730 0.0000 172.6363 99 Y 5.1621 7.5987 115.1918 56.1154 42.2413 174.9149 100 I 4.7067 8.9368 123.1116 59.8266 39.4336 175.1274 101 S 4.8614 9.2010 122.5198 56.7981 64.9624 175.3113 102 A 4.0308 8.8771 123.0039 55.3866 17.9337 180.0513 103 A 3.9627 8.0112 119.0138 55.4375 18.6044 179.3996 104 E 4.1538 7.8359 114.1110 58.7646 29.6379 178.5250 105 L 4.1536 8.1417 122.0342 57.8729 42.3161 177.9853 106 R 4.0596 8.1030 118.6220 60.8049 30.1794 177.1732 107 H 4.2137 8.4151 117.8846 58.4335 29.4593 177.0443 108 V 3.3560 8.1121 122.2178 62.7343 31.5931 178.4527 *110 T 4.6215 7.8294 108.2277 61.6299 70.7534 175.5687 111 N 4.2476 7.6913 118.6526 56.0948 38.5519 175.8216 112 L 4.1662 7.4123 114.3521 55.0963 41.6546 177.0101 113 G 3.7615 9.3129 107.6805 46.2828 0.0000 173.2260 114 E 4.4589 8.0214 119.8066 53.5836 31.6330 174.7868 115 K 4.2469 8.7081 126.4127 56.0233 31.7197 176.0927 116 L 4.7117 8.1300 123.9923 52.7402 44.1807 176.5001 117 T 4.1050 8.3794 117.4366 61.5619 67.8043 174.8300 118 D 4.4177 8.9014 128.4634 57.6594 41.6992 178.5451 119 E 3.9416 8.2274 118.7554 59.5669 29.6562 179.0308 120 E 4.1083 8.1088 112.8812 57.3825 29.1212 177.3212 121 V 4.2159 7.9134 118.1621 64.7111 33.2337 177.6523 122 D 4.4210 7.5977 119.1245 57.2475 41.0864 178.1611 123 Q 4.3414 7.9590 118.9203 56.8781 28.9225 177.1496 *125 I 4.1110 7.7664 118.8779 61.3585 39.3685 177.8363 126 R 3.8290 7.8596 120.0227 59.4665 29.8913 178.0549 127 E 4.0579 8.0373 115.9547 57.8703 29.6450 176.8415 128 A 4.4407 7.4631 119.3957 52.8506 20.1403 176.4156 129 D 4.8273 7.8668 116.4263 53.7766 41.8299 175.6630 130 I 4.2642 8.9675 127.7809 62.6072 38.5742 176.5437 131 D 4.4667 8.3975 117.0667 53.5840 39.9216 177.1481 132 G 3.8977 8.4922 107.9975 46.0928 0.0000 173.0051 133 D 4.6438 8.2743 117.6485 52.8305 39.5165 178.6853 134 G 4.0413 8.9576 110.9641 45.9476 0.0000 173.7585 135 Q 4.8010 7.5801 115.8349 54.4930 31.7736 175.2776 136 V 4.8872 8.3925 112.2180 59.6839 34.5316 175.7925 137 N 5.2566 9.5653 123.4542 51.5339 39.8468 175.3979 138 Y 2.9109 8.1623 119.1612 60.9748 38.4268 177.6526 139 E 3.7187 8.0218 118.3069 59.5621 29.3381 178.7784 140 E 3.9297 9.9382 118.5354 59.6684 29.7446 179.2798 141 F 4.2395 8.3377 119.6406 61.4853 39.6156 176.8075 142 V 3.5626 8.0475 117.0897 65.6799 32.6496 177.6123 143 Q 4.1773 7.7629 118.5993 55.7983 24.0020 176.4410 *146 T 4.0461 7.4809 112.5879 61.3148 71.1537 175.3754 147 A 3.8074 7.7184 124.7836 52.1045 18.6213 177.2830 148 K 4.1205 8.5756 122.8932 56.5276 32.3267 175.7950 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 3 Q 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.81 0.00 1.73 1.53 0.92 0.62 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 5 T 8.21 4.30 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 1.26 0.00 0.00 6 E 8.59 3.97 0.00 2.25 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 2.38 2.39 0.00 7 E 8.29 3.90 0.00 2.07 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 2.39 2.40 0.00 8 Q 7.60 4.10 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 9 I 8.69 4.30 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.50 1.00 0.00 0.00 10 A 8.15 4.07 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 11 E 7.89 3.86 0.00 1.72 1.76 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 2.25 2.46 0.00 12 F 7.89 4.69 0.00 3.34 3.40 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 13 K 7.83 4.45 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.71 4.00 0.00 2.22 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 2.41 2.56 0.00 15 A 8.67 4.03 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 16 F 7.55 3.69 0.00 2.86 3.25 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 17 S 8.92 4.14 0.00 4.01 3.95 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 0.00 0.00 0.00 18 L 7.49 3.39 0.00 2.09 2.19 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.61 4.46 0.00 2.92 2.93 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 20 D 8.37 4.42 0.00 2.33 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 21 K 7.73 3.65 0.00 1.87 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.48 7.81 22 D 8.26 4.54 0.00 2.80 2.82 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 23 G 6.86 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 24 D 10.21 4.34 0.00 2.82 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 25 G 7.26 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 26 T 8.17 4.95 4.36 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 0.00 0.00 1.25 0.00 0.00 27 I 8.15 4.68 1.68 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 1.46 0.94 -0.05 0.00 0.00 28 T 9.21 4.36 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 1.24 0.00 0.00 29 T 8.28 3.92 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 30 K 8.04 3.89 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.48 3.99 0.00 1.91 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 2.45 2.28 0.00 32 L 7.78 4.10 0.00 1.86 1.86 1.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.01 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.78 4.13 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 1.33 0.00 0.00 35 V 7.50 2.79 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 0.89 0.00 0.00 0.69 0.00 0.00 *37 R 8.07 5.08 0.00 1.99 1.96 0.00 3.48 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.80 3.86 0.00 3.84 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 39 L 7.39 4.00 0.00 1.61 1.74 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.15 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 41 Q 7.22 4.76 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.65 0.00 2.77 2.78 0.00 0.00 5.93 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 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.76 3.83 0.00 1.98 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 2.33 2.36 0.00 46 A 7.89 4.35 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 47 E 8.30 4.09 0.00 1.95 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 2.33 2.31 0.00 48 L 7.83 4.13 0.00 1.87 1.80 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.00 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.74 4.26 0.00 2.78 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 *52 I 7.97 4.03 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 1.01 0.00 0.00 53 N 9.02 4.07 0.00 2.52 2.98 0.00 0.00 7.34 7.53 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 54 E 7.41 4.47 0.00 2.30 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 2.31 2.31 0.00 55 V 8.31 4.25 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 0.63 0.00 0.00 1.07 0.00 0.00 56 D 8.60 4.98 0.00 2.70 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 57 A 7.94 4.82 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 58 D 8.32 4.83 0.00 2.85 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 59 G 8.51 3.77 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 0.00 0.00 0.00 60 N 8.08 5.22 0.00 2.71 2.88 0.00 0.00 7.44 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 61 G 8.79 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 62 T 7.97 4.53 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 1.28 0.00 0.00 63 I 8.33 4.66 1.97 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 1.54 0.87 0.98 0.00 0.00 64 D 8.12 5.22 0.00 3.09 3.02 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 65 F 9.47 3.18 0.00 2.95 3.01 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 66 P 0.00 4.17 0.00 2.30 2.08 0.00 4.02 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 E 10.22 3.56 0.00 2.24 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 2.41 2.75 0.00 68 F 7.25 4.47 0.00 2.81 3.01 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 69 L 8.11 3.68 0.00 1.66 1.72 0.68 1.06 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 70 T 8.03 3.79 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 1.15 0.00 0.00 *73 A 7.56 4.16 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 74 R 6.60 3.68 0.00 1.78 1.89 0.00 3.34 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.68 4.38 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *77 K 7.86 4.53 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.00 4.80 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.02 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 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 81 S 8.30 4.31 0.00 4.07 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 0.00 82 E 8.32 3.94 0.00 2.02 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 2.38 2.50 0.00 83 E 8.07 4.14 0.00 2.24 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 2.31 2.41 0.00 84 E 8.25 3.99 0.00 2.30 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 2.45 2.53 0.00 85 I 7.84 3.48 2.01 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 1.46 0.93 1.11 0.00 0.00 86 R 8.28 4.40 0.00 1.97 2.17 0.00 2.94 0.00 0.00 2.86 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 87 E 8.12 4.21 0.00 2.18 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 0.00 2.32 2.68 0.00 88 A 9.09 4.35 1.69 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 0.00 0.00 89 F 8.48 3.21 0.00 2.85 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 90 R 7.91 3.91 0.00 1.90 2.01 0.00 3.22 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 91 V 7.53 3.67 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.98 0.00 0.00 92 F 8.22 4.17 0.00 2.68 3.03 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 93 D 7.58 4.62 0.00 2.15 2.19 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 94 K 8.27 4.08 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.56 7.81 95 D 7.79 4.60 0.00 2.97 2.76 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 96 G 8.38 3.91 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 0.00 0.00 0.00 97 N 8.31 4.54 0.00 3.07 3.11 0.00 0.00 6.29 7.00 0.00 0.00 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 G 9.01 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 0.00 0.00 0.00 99 Y 7.60 5.16 0.00 3.04 2.90 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 0.00 100 I 8.94 4.71 2.04 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.90 0.97 0.00 0.00 101 S 9.20 4.86 0.00 3.91 4.01 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 0.00 102 A 8.88 4.03 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 0.00 103 A 8.01 3.96 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 0.00 104 E 7.84 4.15 0.00 2.37 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 2.42 2.40 0.00 105 L 8.14 4.15 0.00 1.73 1.94 1.13 0.86 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 0.00 106 R 8.10 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.42 4.21 0.00 3.41 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.11 3.36 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 0.30 0.00 0.00 0.74 0.00 0.00 *110 T 7.83 4.62 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 1.32 0.00 0.00 111 N 7.69 4.25 0.00 2.58 2.86 0.00 0.00 7.09 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 0.00 112 L 7.41 4.17 0.00 1.65 1.69 0.85 0.88 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 0.00 113 G 9.31 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 0.00 0.00 0.00 114 E 8.02 4.46 0.00 2.03 1.80 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 2.28 2.36 0.00 115 K 8.71 4.25 0.00 1.80 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.71 0.00 1.63 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.38 4.11 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 1.26 0.00 0.00 118 D 8.90 4.42 0.00 2.75 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 0.00 119 E 8.23 3.94 0.00 2.08 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 2.33 2.43 0.00 120 E 8.11 4.11 0.00 2.01 1.99 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 2.35 2.26 0.00 121 V 7.91 4.22 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.60 4.42 0.00 2.89 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 0.00 123 Q 7.96 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.77 4.11 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.97 0.00 0.00 126 R 7.86 3.83 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.04 4.06 0.00 2.00 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 0.00 2.31 2.25 0.00 128 A 7.46 4.44 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 0.00 129 D 7.87 4.83 0.00 2.85 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 0.00 130 I 8.97 4.26 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.40 4.47 0.00 2.80 2.81 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 0.00 132 G 8.49 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 0.00 133 D 8.27 4.64 0.00 2.79 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 0.00 134 G 8.96 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 0.00 135 Q 7.58 4.80 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 136 V 8.39 4.89 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 0.86 0.00 0.00 1.14 0.00 0.00 137 N 9.57 5.26 0.00 2.64 3.02 0.00 0.00 6.20 7.11 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 0.00 138 Y 8.16 2.91 0.00 2.10 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 0.00 139 E 8.02 3.72 0.00 2.20 1.88 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 2.36 2.38 0.00 140 E 9.94 3.93 0.00 2.16 2.32 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 2.38 2.53 0.00 141 F 8.34 4.24 0.00 3.14 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 0.00 142 V 8.05 3.56 1.83 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 0.73 0.00 0.00 -0.11 0.00 0.00 143 Q 7.76 4.18 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 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 1.18 0.00 0.00 147 A 7.72 3.81 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 0.00 148 K 8.58 4.12 0.00 1.69 1.65 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.