NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.5405 8.3644 119.5560 53.2286 41.7196 172.6335 9 S 4.5336 7.8414 107.6732 56.2004 64.1805 168.7174 10 I 4.6736 8.9093 113.0851 59.4919 40.9091 173.8009 11 I 4.6987 8.4006 124.7359 59.1484 40.3509 174.8275 12 R 4.7628 8.5089 118.9375 54.2335 31.7455 174.7162 13 F 5.0306 8.2143 114.5746 54.9445 41.1906 173.8003 14 S 4.4912 8.5452 115.3504 56.8055 63.4640 173.2308 15 V 4.3988 8.0191 125.5358 61.0664 33.5326 174.6699 16 S 4.7263 8.6399 123.0576 57.0131 64.1219 173.4276 17 L 4.7972 8.2897 126.2823 53.0792 45.4164 177.1204 18 Q 4.4773 8.1492 121.9321 55.8476 30.9234 177.6815 19 Q 4.1477 8.3995 118.5776 60.6703 29.0456 178.0515 20 N 4.4432 8.0939 117.6230 55.7992 37.4337 176.6865 21 L 3.9251 7.8824 122.2112 57.8240 42.1342 178.5744 22 L 3.9481 7.7631 119.9564 58.1230 41.9683 178.5778 23 D 4.3461 8.5429 119.1394 57.5541 40.8137 178.6089 24 E 3.9439 8.4716 119.3001 59.3953 29.4718 179.3252 25 L 3.9199 7.9899 120.2075 58.3495 42.2561 178.8118 26 D 4.4091 8.4545 119.1582 57.0468 40.7016 178.3069 27 N 4.3098 8.4081 118.0588 56.6626 38.9958 177.0024 28 R 3.9640 8.0390 120.2013 59.2999 30.2332 178.4639 29 I 3.8914 7.8467 119.7320 64.5922 37.2891 178.5200 30 I 3.7766 7.7518 120.3988 64.2750 36.7143 178.7325 31 K 4.1097 7.9287 118.2801 59.2365 32.0223 178.3282 32 N 4.7546 8.1269 113.4697 52.4016 38.6702 175.6811 33 G 3.8718 7.5248 107.0403 46.3647 0.0000 174.0644 34 Y 4.2135 7.6580 116.6640 57.7654 38.3540 176.5720 35 S 4.4438 9.0877 117.6234 60.6181 63.8692 174.6751 36 S 4.6043 7.4937 113.8998 56.1671 66.7224 175.3774 37 R 3.8583 8.4060 120.8295 59.2153 29.7617 179.1620 38 S 4.0098 7.9498 112.5922 61.2709 62.4351 175.7524 39 E 3.9021 8.0036 121.4232 59.1743 29.3956 178.5347 40 L 3.4558 7.4235 120.2535 57.9440 42.1202 179.0188 41 V 3.4844 7.6516 118.1667 65.9325 31.4619 177.7259 42 R 3.9138 7.9397 118.3981 59.8755 29.7635 178.2644 43 D 4.4200 8.2120 118.3482 57.4225 40.7797 178.7114 44 M 4.0864 8.1510 119.6457 58.1167 31.9182 178.8286 45 I 3.6778 8.2642 120.3809 64.5446 37.1126 178.4827 46 R 3.8940 8.1075 119.3589 59.1649 29.7391 178.1406 47 E 4.0527 7.9491 119.3238 59.0575 29.3903 178.7378 48 K 4.0430 8.1040 118.4330 59.1931 31.7902 179.4642 49 L 4.0345 7.8514 118.9566 57.7884 41.6248 179.3498 50 V 3.7676 7.2802 116.1142 65.5644 31.6149 177.2862 51 E 4.4395 7.9871 115.1455 56.7652 30.1034 176.5463 52 D 4.2380 7.6379 121.1689 55.0165 39.7712 175.7455 53 N 5.0929 8.2329 121.4432 50.2210 40.6516 170.8860 54 W 5.7234 8.1629 129.6475 56.1015 29.7570 177.7456 *60 N 4.4765 8.7138 123.3469 53.3751 38.6540 173.6920 61 D 4.6644 8.5051 125.6134 53.3365 39.8697 176.7035 62 E 4.5810 7.3698 116.9005 55.2421 32.1294 179.3045 63 S 4.4541 8.4773 118.8508 58.2675 64.6357 173.3204 64 K 5.1881 9.8283 122.4639 54.8369 36.9144 174.5621 65 I 5.0218 8.7133 120.5860 59.6769 40.9754 174.0219 66 A 4.9103 8.8552 128.5846 51.1141 23.6997 174.8717 67 V 4.8031 8.8890 118.5104 61.1523 34.8957 173.8513 68 L 4.9568 8.9900 130.3026 53.3805 44.3624 174.8168 69 V 4.7478 8.7949 127.3135 61.3440 33.5358 174.4800 70 V 5.1237 9.1976 127.9997 61.1949 34.8478 174.0971 71 I 5.3216 9.0551 127.7431 59.7885 40.4734 174.1615 72 Y 5.2729 8.3995 123.7509 55.6644 42.1692 173.3561 73 D 5.7044 9.0211 120.7259 53.4324 41.0398 175.6602 74 H 4.4842 8.9218 122.9653 58.5628 28.9129 176.5352 75 H 4.6063 7.0242 115.3064 53.7326 27.0490 173.7143 76 Q 4.5671 7.6326 125.2103 55.0065 30.5977 175.5818 77 R 3.9843 8.5609 122.8946 57.1909 29.5857 175.0619 78 E 3.9796 8.8501 124.3796 56.3316 27.4979 177.2568 79 L 3.9473 7.4539 120.0935 58.0309 42.2403 177.0178 80 N 4.1322 8.0481 116.5708 56.7381 38.9474 176.2334 81 Q 3.9289 8.0715 120.3508 59.3311 28.9553 178.3898 82 R 3.8863 7.6164 118.8678 59.7102 30.1271 179.0248 83 M 4.0225 8.2747 118.6515 58.2159 31.9074 178.8891 84 I 3.5929 8.0827 120.3934 64.5755 37.1885 178.0860 85 D 4.3408 8.3857 120.0090 57.4887 40.3638 179.2119 86 I 3.7554 7.3202 119.4300 64.3348 37.0509 178.1800 87 Q 4.1781 8.1011 117.9263 58.9344 28.4061 177.9741 88 H 4.2716 8.2073 117.8928 58.2776 28.8690 176.5462 89 A 4.4122 7.6028 120.3112 52.8176 18.9269 178.9680 90 S 4.2374 7.4856 112.6621 59.3168 63.3291 175.6472 91 G 4.0534 8.6129 108.6437 46.2389 0.0000 173.2930 92 T 4.3894 7.2437 109.3225 61.2118 70.0937 173.3901 93 H 4.9012 9.1877 123.1031 54.3800 32.0938 173.2042 94 V 3.9903 8.3094 126.1819 62.9612 31.6951 175.0597 95 L 4.5364 8.9630 127.5658 56.3299 43.3300 176.8125 96 S 4.8035 7.5913 110.9529 57.4069 65.8121 173.2429 97 T 5.7744 8.2515 114.0508 59.6231 71.9484 173.0304 98 T 4.7173 8.1568 116.6296 62.1161 72.6687 172.5305 99 H 5.2395 8.9574 122.2251 54.2917 31.1585 173.3354 100 I 4.2608 8.8820 125.5692 59.9632 39.0890 175.2967 101 H 4.7385 8.8010 127.6276 55.0353 28.4640 174.2529 102 M 4.1090 8.1266 125.1500 57.5700 32.2226 175.5943 103 D 4.5459 7.1620 114.7064 52.8051 44.6043 174.0658 104 E 4.1435 8.7459 119.8639 58.6596 29.7783 176.9141 105 H 4.7150 8.1695 112.8286 55.1315 30.4396 172.3557 106 N 5.2641 7.7843 118.0251 51.3932 41.5761 172.6724 107 C 4.9503 8.6512 124.7691 57.2668 34.4148 172.0605 108 L 4.9959 8.9580 128.7976 53.7826 43.7848 174.6087 109 E 5.7859 9.9227 126.9250 53.5626 33.0445 174.0219 110 T 4.9802 8.5009 116.8642 60.2737 71.4807 173.4262 111 I 4.9046 8.6512 125.7957 59.5819 40.7770 174.3697 112 I 4.7431 8.7458 129.4771 60.1133 38.4905 175.1476 113 L 5.3149 8.7641 126.6899 54.1322 44.5678 175.1121 114 Q 5.4852 8.9496 117.1802 53.3754 32.3135 175.1427 115 G 4.0914 7.9111 105.1538 46.8327 0.0000 171.6066 116 N 5.3262 8.1501 117.8074 51.6804 38.9912 176.2017 117 S 4.1522 8.6148 114.2894 61.9450 62.6725 176.9534 118 F 4.1596 8.3175 122.4099 61.4264 38.7476 176.8846 119 E 3.9007 9.1392 118.6817 59.3887 29.1077 179.4801 120 I 3.7567 7.7141 119.4820 64.4111 37.2484 178.2870 121 Q 3.9289 8.2178 120.4540 59.1542 28.8615 178.2814 122 R 3.6575 7.8727 119.8895 59.0831 30.0376 178.1201 123 L 3.8827 8.1133 120.5915 58.2037 42.0448 178.8261 124 Q 3.8848 7.8127 119.4227 58.9315 28.7619 177.8391 125 L 3.8833 7.5008 120.2615 58.3205 41.9743 178.5753 126 E 4.1135 8.1098 118.4150 59.3639 29.0809 179.3301 127 I 3.8234 7.8784 120.0907 64.1820 36.8829 178.7438 128 G 3.7563 8.1324 106.1153 47.0423 0.0000 175.0490 129 G 3.8924 7.4182 104.5469 43.8996 0.0000 174.0121 130 L 4.1822 7.0435 121.0243 53.9703 42.3884 176.4449 131 R 4.1899 8.3537 123.2105 57.4851 30.6099 176.3242 132 G 4.0847 9.1068 113.2324 45.3650 0.0000 172.8934 133 V 4.6166 7.4190 119.5342 61.9152 31.9890 175.4119 134 K 4.6505 8.9287 126.1633 56.4579 33.7945 176.2046 135 F 4.6753 8.0348 120.6221 57.4072 42.8385 173.0932 136 A 4.8850 7.7249 127.0588 50.9304 20.2251 173.6395 137 K 4.2125 8.7291 122.1649 54.5618 34.6680 174.2835 138 L 4.9023 8.3052 129.0666 53.9281 43.7719 175.3862 139 T 4.3675 9.0791 123.4772 61.6700 70.5805 173.6082 140 K 3.6217 8.1667 126.7741 55.8578 32.0157 175.8434 141 A 4.5137 8.8010 126.7811 51.8722 19.9825 176.3863 142 S 4.7999 8.5103 106.2968 57.3221 67.0492 174.8617 143 S 4.4634 8.7717 119.1785 58.9908 63.1820 173.9533 144 F 4.8196 8.7964 127.0366 57.8112 42.7668 174.5312 145 E 4.0640 7.6961 120.3404 55.8444 30.0868 173.9425 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 8 D 8.36 4.54 0.00 2.71 2.54 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 9 S 7.84 4.53 0.00 3.99 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 10 I 8.91 4.67 1.89 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 1.43 0.84 0.93 0.00 0.00 11 I 8.40 4.70 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.95 0.00 0.00 12 R 8.51 4.76 0.00 1.82 1.87 0.00 2.97 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 13 F 8.21 5.03 0.00 3.14 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 14 S 8.55 4.49 0.00 3.86 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 15 V 8.02 4.40 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 0.91 0.00 0.00 0.75 0.00 0.00 16 S 8.64 4.73 0.00 3.90 3.78 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 17 L 8.29 4.80 0.00 1.56 1.51 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.15 4.48 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.32 1.97 0.00 19 Q 8.40 4.15 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 20 N 8.09 4.44 0.00 2.96 3.06 0.00 0.00 5.82 6.67 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 21 L 7.88 3.93 0.00 1.78 1.83 0.93 0.54 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 22 L 7.76 3.95 0.00 1.76 1.85 0.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.54 4.35 0.00 2.93 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 24 E 8.47 3.94 0.00 2.12 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 2.49 2.47 0.00 25 L 7.99 3.92 0.00 1.80 1.85 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.45 4.41 0.00 2.79 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 27 N 8.41 4.31 0.00 2.97 2.95 0.00 0.00 6.75 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 28 R 8.04 3.96 0.00 2.07 2.06 0.00 3.30 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 29 I 7.85 3.89 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.99 0.00 0.00 30 I 7.75 3.78 2.01 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 1.54 0.94 0.92 0.00 0.00 31 K 7.93 4.11 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.61 7.81 32 N 8.13 4.75 0.00 3.07 2.72 0.00 0.00 7.09 7.24 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 33 G 7.52 3.87 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 0.00 0.00 0.00 34 Y 7.66 4.21 0.00 3.16 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 35 S 9.09 4.44 0.00 4.01 4.02 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 36 S 7.49 4.60 0.00 4.02 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 37 R 8.41 3.86 0.00 1.82 1.95 0.00 3.09 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 38 S 7.95 4.01 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 39 E 8.00 3.90 0.00 2.14 2.12 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 2.41 2.39 0.00 40 L 7.42 3.46 0.00 1.16 1.38 0.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.65 3.48 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 0.84 0.00 0.00 0.90 0.00 0.00 42 R 7.94 3.91 0.00 2.21 2.05 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 43 D 8.21 4.42 0.00 2.85 2.73 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 0.00 0.00 0.00 0.00 44 M 8.15 4.09 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 45 I 8.26 3.68 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.93 0.00 0.00 46 R 8.11 3.89 0.00 1.90 2.05 0.00 3.10 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 47 E 7.95 4.05 0.00 2.06 2.14 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 2.29 2.35 0.00 48 K 8.10 4.04 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.61 7.81 49 L 7.85 4.03 0.00 1.67 1.73 0.92 0.77 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 50 V 7.28 3.77 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 0.98 0.00 0.00 51 E 7.99 4.44 0.00 2.14 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 2.52 2.29 0.00 52 D 7.64 4.24 0.00 2.84 2.66 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 53 N 8.23 5.09 0.00 2.70 2.58 0.00 0.00 6.69 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 54 W 8.16 5.72 0.00 3.22 2.34 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 *60 N 8.71 4.48 0.00 2.77 2.65 0.00 0.00 6.52 8.06 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 61 D 8.51 4.66 0.00 2.62 2.64 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 62 E 7.37 4.58 0.00 1.75 1.72 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 0.00 2.17 1.90 0.00 63 S 8.48 4.45 0.00 3.77 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 64 K 9.83 5.19 0.00 1.10 1.28 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.94 0.95 7.81 65 I 8.71 5.02 1.46 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 0.97 1.09 0.93 0.00 0.00 66 A 8.86 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.89 4.80 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 0.97 0.00 0.00 0.91 0.00 0.00 68 L 8.99 4.96 0.00 1.75 1.48 0.90 0.69 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 69 V 8.79 4.75 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 70 V 9.20 5.12 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 1.09 0.00 0.00 0.94 0.00 0.00 71 I 9.06 5.32 2.02 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.89 0.00 0.00 72 Y 8.40 5.27 0.00 3.23 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 73 D 9.02 5.70 0.00 2.77 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 74 H 8.92 4.48 0.00 3.18 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.02 4.61 0.00 3.19 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.63 4.57 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 77 R 8.56 3.98 0.00 1.78 1.83 0.00 3.45 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 78 E 8.85 3.98 0.00 2.15 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 2.31 2.28 0.00 79 L 7.45 3.95 0.00 1.77 1.66 0.95 0.60 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 80 N 8.05 4.13 0.00 2.87 2.79 0.00 0.00 6.81 7.12 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 81 Q 8.07 3.93 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 82 R 7.62 3.89 0.00 1.91 1.93 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 83 M 8.27 4.02 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 84 I 8.08 3.59 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.61 0.00 0.00 85 D 8.39 4.34 0.00 2.76 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 86 I 7.32 3.76 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.55 0.88 0.00 0.00 87 Q 8.10 4.18 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 88 H 8.21 4.27 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.60 4.41 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 90 S 7.49 4.24 0.00 4.05 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 91 G 8.61 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 92 T 7.24 4.39 4.35 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 1.23 0.00 0.00 93 H 9.19 4.90 0.00 3.15 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.31 3.99 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 0.80 0.00 0.00 0.96 0.00 0.00 95 L 8.96 4.54 0.00 1.52 1.65 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.59 4.80 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.25 5.77 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 1.21 0.00 0.00 98 T 8.16 4.72 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 1.22 0.00 0.00 99 H 8.96 5.24 0.00 3.03 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.88 4.26 1.85 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 1.11 0.91 0.89 0.00 0.00 101 H 8.80 4.74 0.00 3.03 3.17 0.00 5.73 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 0.00 102 M 8.13 4.11 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 103 D 7.16 4.55 0.00 2.52 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 0.00 104 E 8.75 4.14 0.00 1.98 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 2.25 2.37 0.00 105 H 8.17 4.72 0.00 3.24 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.78 5.26 0.00 2.50 2.59 0.00 0.00 6.52 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 0.00 107 C 8.65 4.95 0.00 2.52 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 0.00 0.00 0.00 0.00 108 L 8.96 5.00 0.00 1.71 1.47 0.91 0.61 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 0.00 109 E 9.92 5.79 0.00 2.20 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 2.11 1.71 0.00 110 T 8.50 4.98 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 0.00 111 I 8.65 4.90 1.86 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 1.33 0.94 0.89 0.00 0.00 112 I 8.75 4.74 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.82 0.00 0.00 113 L 8.76 5.31 0.00 1.72 1.68 0.95 0.67 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 0.00 114 Q 8.95 5.49 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 115 G 7.91 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 0.00 116 N 8.15 5.33 0.00 2.97 2.97 0.00 0.00 7.41 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 0.00 117 S 8.61 4.15 0.00 3.91 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 0.00 118 F 8.32 4.16 0.00 3.15 3.24 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 0.00 119 E 9.14 3.90 0.00 2.05 2.27 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 2.51 2.83 0.00 120 I 7.71 3.76 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 1.04 0.00 0.00 121 Q 8.22 3.93 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 122 R 7.87 3.66 0.00 1.27 1.76 0.00 3.22 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 123 L 8.11 3.88 0.00 1.81 1.84 0.90 0.69 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 0.00 124 Q 7.81 3.88 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 125 L 7.50 3.88 0.00 1.72 1.81 0.88 0.97 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 0.00 126 E 8.11 4.11 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 2.28 2.63 0.00 127 I 7.88 3.82 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.85 0.00 0.00 128 G 8.13 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 0.00 129 G 7.42 3.89 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 0.00 0.00 0.00 130 L 7.04 4.18 0.00 1.74 1.57 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.35 4.19 0.00 1.77 1.85 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 132 G 9.11 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 0.00 133 V 7.42 4.62 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 0.90 0.00 0.00 0.96 0.00 0.00 134 K 8.93 4.65 0.00 1.70 1.88 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 135 F 8.03 4.68 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 0.00 136 A 7.72 4.89 1.10 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 0.00 0.00 137 K 8.73 4.21 0.00 1.29 1.63 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.19 7.81 138 L 8.31 4.90 0.00 1.58 1.43 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 139 T 9.08 4.37 4.18 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 1.13 0.00 0.00 140 K 8.17 3.62 0.00 0.79 0.74 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.70 0.83 7.81 141 A 8.80 4.51 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 0.00 142 S 8.51 4.80 0.00 3.96 3.80 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 0.00 0.00 0.00 143 S 8.77 4.46 0.00 3.81 3.75 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 0.00 144 F 8.80 4.82 0.00 3.05 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 0.00 145 E 7.70 4.06 0.00 2.00 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 0.00 2.13 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.