NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3507 8.1849 120.9935 55.5876 42.7236 178.0007 3 K 3.8676 8.3120 118.4283 58.9737 32.1039 175.3058 4 Q 4.6051 7.8524 116.4311 54.3204 31.2477 175.4412 5 V 3.9692 8.4171 122.8965 63.5599 32.9398 174.4759 6 E 4.9217 9.0058 126.5021 54.5120 32.1283 174.9348 7 I 4.9052 8.0354 124.1258 59.4304 40.7722 174.5751 8 F 5.2330 9.3311 124.8192 55.9874 42.6621 174.2101 9 T 5.1276 8.4027 110.7557 60.6906 72.0114 172.2372 10 D 4.7720 9.2286 121.1049 53.2376 45.1665 174.0805 11 G 4.5656 8.7254 110.2251 44.5824 0.0000 172.2071 12 S 4.8144 9.3363 116.7116 56.6548 66.2835 172.8308 13 C 4.7732 8.4268 124.5993 58.8553 33.9304 173.3966 14 L 4.1611 8.7622 127.8256 56.3298 41.8115 177.2046 15 G 4.0483 7.7226 106.4332 44.2824 0.0000 173.3598 16 N 5.0078 8.0417 117.1413 51.1819 38.5862 171.6331 17 P 4.6449 0.0000 0.0000 62.0258 33.9212 175.2099 18 G 4.1654 8.4764 106.4940 44.7566 0.0000 170.4726 19 P 5.0235 0.0000 0.0000 62.7161 31.7269 176.0037 20 G 4.3074 9.3545 109.7677 45.2945 0.0000 170.8496 21 G 4.6925 9.1961 106.8814 45.4141 0.0000 171.2917 22 Y 5.5021 8.5454 116.9431 55.2018 41.9550 174.6073 23 G 4.6149 9.2703 106.6719 44.6860 0.0000 171.4759 24 A 5.3924 9.5179 124.2341 50.2534 23.4346 174.9852 25 I 5.0234 9.1982 121.5843 59.4467 40.7965 174.2628 26 L 5.1049 9.4438 129.8673 53.3696 44.5254 174.8549 27 R 5.1183 9.4202 128.1796 55.1972 31.8653 174.4275 28 Y 5.2650 9.0408 128.1288 56.2649 42.5926 174.2026 29 R 3.4499 8.5325 125.6331 57.8408 28.7993 177.2167 30 G 4.1508 8.6432 112.3488 46.2054 0.0000 172.5917 31 R 4.6777 7.8661 117.2446 53.9267 34.2532 173.5913 32 E 5.1238 8.6707 120.0720 54.5301 31.6146 175.0244 33 K 4.6173 9.3612 126.5070 54.7955 35.4627 175.1167 34 T 5.1023 8.1815 120.1693 61.7632 71.0380 173.4504 35 F 5.0377 8.9705 124.7381 55.9347 42.7187 174.2821 36 S 4.7375 8.8953 112.4399 58.4633 65.0890 174.3693 37 A 4.4165 6.8268 126.3732 50.8765 22.9133 174.7544 38 G 4.3865 8.3742 105.8666 44.6029 0.0000 171.7599 39 Y 5.1013 9.3087 121.8961 56.3266 40.2972 177.0765 40 T 3.8385 8.8719 120.5840 66.3778 69.7713 174.1180 41 R 4.4257 7.8653 122.2977 55.4264 32.0759 173.2874 42 T 4.4335 9.1327 122.2828 61.0550 71.3617 171.8305 43 T 4.9200 8.1476 109.8998 59.2498 72.3102 174.5073 44 N 4.2091 9.0470 120.4059 56.7829 36.9367 176.8554 45 N 4.1400 7.9085 118.7710 55.4619 38.4722 177.4541 46 R 3.8293 7.7459 118.9934 59.5661 30.2438 178.8715 47 M 3.9866 8.1231 118.4807 58.6295 31.6750 178.7365 48 E 4.0858 8.4133 118.7848 59.3379 29.6110 179.4825 49 L 3.9747 7.9623 119.1535 57.9144 41.6117 179.0150 50 M 3.7744 8.1641 118.1580 58.3814 31.9305 178.0212 51 A 3.3335 7.6007 120.6116 55.0570 18.4684 179.5939 52 F 3.9728 7.4471 115.7402 60.6356 38.9701 177.8770 53 I 3.6440 7.8129 119.3394 64.3870 36.8214 178.5778 54 V 3.3245 7.6609 118.8496 65.9207 31.1082 177.9292 55 A 3.2454 7.0369 118.7015 54.8637 18.4908 179.2714 56 L 3.9352 7.9875 117.7334 57.9860 41.4926 179.6114 57 E 4.0414 8.0834 116.9518 58.7188 29.4516 178.7743 58 A 4.2129 7.3538 120.1206 53.0632 18.5500 177.4165 59 L 3.9058 7.1681 118.4385 54.3862 42.0201 177.1144 60 K 4.3980 8.6065 122.2572 56.3053 32.8862 175.2520 61 E 4.7001 7.6148 115.5260 54.3118 32.8801 174.2417 62 H 4.6666 8.4869 116.0813 55.7903 29.1346 175.0459 63 C 5.0333 9.0424 119.3678 57.8350 33.1163 172.4443 64 E 4.7486 8.5768 119.4780 55.4910 30.7366 175.6288 65 V 4.7535 9.0047 125.0171 60.9693 34.8742 174.0654 66 I 4.5797 8.4440 128.2323 59.5382 39.6446 174.5571 67 L 4.6177 8.7365 128.1218 52.9524 43.0757 174.9018 68 S 5.0351 7.8047 119.1019 57.2633 63.5752 173.3202 69 T 5.0080 9.1262 121.3933 61.0737 70.9685 173.4361 70 D 5.4943 8.9803 126.1843 52.6305 40.3168 176.1285 71 S 4.3606 8.4953 117.0378 58.3891 62.9113 174.6065 72 Q 3.8705 8.8806 129.1561 59.1205 28.8154 177.2086 73 Y 4.1557 8.0449 120.2008 60.7753 38.9545 178.0591 74 V 3.6662 8.0669 119.1159 65.9087 31.5879 177.7100 75 R 2.5100 7.5299 118.3473 59.1484 29.6147 178.4853 76 Q 3.1360 7.7349 117.9730 58.1941 28.3214 178.7554 77 G 2.8610 6.9182 106.7875 47.6532 0.0000 175.7336 78 I 3.4504 7.0616 121.6685 63.7562 37.1936 178.2142 79 T 4.0221 7.1480 108.4956 62.7710 69.0608 175.3878 80 Q 4.1307 7.4372 118.3147 56.3569 31.5646 177.0223 81 W 3.8361 6.9981 116.4971 58.6737 29.4218 178.5437 82 I 3.2960 7.1810 118.7765 63.8099 37.1766 177.0152 83 H 3.9434 7.9671 119.0391 59.3668 29.6558 176.5638 84 N 4.1549 7.7845 117.8128 55.7120 37.1675 176.5539 85 W 4.2910 7.7328 121.7412 59.5200 29.0237 178.6096 86 K 3.3092 7.5673 117.9620 59.2284 31.2014 179.5762 87 K 3.9342 7.3848 117.7496 58.8446 31.7221 178.5464 88 R 4.4008 7.6967 116.1900 55.0424 30.2370 176.5628 89 G 4.3411 7.7933 106.4112 46.7988 0.0000 173.7557 90 W 3.4000 8.1046 115.1824 57.4686 27.3105 174.4952 91 K 4.8985 7.2714 115.5462 54.5970 34.5398 176.7421 92 T 4.3166 8.2836 112.2822 60.3734 70.2852 175.3928 93 A 3.9271 8.4800 123.7060 55.2951 18.2689 178.1438 94 D 4.5103 8.0304 112.4325 53.2938 39.5746 176.5868 95 K 3.8634 8.0270 117.5679 57.4234 30.3554 175.6045 96 K 4.3473 8.0921 118.5996 54.4829 33.1438 174.4181 97 P 4.5254 0.0000 0.0000 63.1846 31.6808 176.3607 98 V 3.2641 8.1204 124.0097 62.9480 32.5060 175.1617 99 K 3.8324 8.3479 128.1482 57.3721 32.8394 175.9664 100 N 4.4916 9.0193 123.3307 54.4258 36.2226 176.4577 101 V 3.6157 7.5188 121.9539 65.2684 30.8507 177.3190 102 D 4.2042 7.9851 118.9046 56.3108 39.1843 178.5102 103 L 3.9763 7.7442 119.8791 56.8521 41.8653 179.0002 104 W 4.4934 8.2406 118.9942 60.1093 29.0279 178.6496 105 Q 3.6482 7.9941 117.8600 58.7342 28.1763 178.5105 106 R 3.8493 7.8620 119.7741 59.3645 29.9740 178.3462 107 L 3.9676 8.5445 120.2783 58.2681 42.1126 178.1594 108 D 4.5301 9.0035 118.1596 57.6583 40.8839 178.2822 109 A 4.0209 8.1235 119.9291 54.9786 18.6640 179.2296 110 A 4.1042 8.0280 119.1176 55.3728 18.5379 179.7822 111 L 4.0923 8.3650 117.9235 57.8879 41.5556 179.7099 112 G 3.9052 8.2183 104.1130 46.9322 0.0000 174.3692 113 Q 4.4208 8.0292 119.1256 55.8448 29.2164 174.3858 114 H 5.0339 7.4063 115.7494 54.0039 33.7431 173.4514 115 Q 4.2699 9.0140 120.0873 55.5738 29.2849 174.9734 116 I 4.4774 8.1677 125.4408 59.3087 39.1821 175.2605 117 K 4.3540 8.8523 128.5854 54.3363 34.3665 174.6371 118 W 4.5753 8.5422 127.8217 55.5861 30.4160 175.7108 119 E 4.3428 8.8412 124.5029 54.2831 31.6322 175.0067 120 W 5.4103 8.3809 125.2748 55.9867 30.4643 176.3154 121 V 4.3581 8.9133 117.0177 61.3271 35.8507 176.0061 122 K 4.0549 9.1176 123.9764 57.0204 31.5212 178.1863 123 G 4.0537 8.7573 107.5876 44.3745 0.0000 173.5080 124 H 4.3329 8.7358 114.9321 58.4049 28.8137 175.9444 125 A 4.1754 7.9964 122.3584 53.9431 18.1974 177.2649 126 G 3.8990 9.1868 110.8477 46.2265 0.0000 173.4907 127 H 4.9133 8.0683 116.0922 52.6034 29.1619 172.4297 128 P 4.1757 0.0000 0.0000 65.7173 31.6033 178.5540 129 E 3.6723 7.7226 117.7487 59.1713 29.3839 178.6951 130 N 4.3874 8.0487 115.8812 56.6063 38.5348 176.9201 131 E 3.6108 8.2697 120.4839 59.0315 29.5719 178.8321 132 R 3.9284 8.0032 118.9579 59.3465 30.0784 178.2674 133 C 4.1889 8.2624 116.8364 62.7028 28.1157 175.4668 134 D 4.9393 8.0340 120.8899 56.8150 40.8208 178.0103 135 E 3.9574 7.9493 119.7478 59.0852 29.6585 178.7029 136 L 3.9464 8.1535 118.9506 57.8021 41.8543 179.3570 137 A 4.0570 8.4089 120.9912 55.2892 18.1119 179.8710 138 R 3.8709 7.8946 115.1303 59.2238 30.3053 178.8987 139 A 4.0896 8.1031 120.2159 55.2141 18.4825 179.3422 140 A 3.8656 8.0705 119.0555 55.4909 18.1601 179.7222 141 A 4.0943 7.7430 117.6990 55.5398 18.4573 179.5204 142 M 4.2106 7.7047 116.6508 57.3641 33.2400 176.5648 143 N 5.0370 7.8179 115.0452 51.0066 39.3155 173.0067 144 P 4.3326 0.0000 0.0000 63.1276 32.3266 176.9705 145 T 4.4813 8.1589 109.8945 60.6824 70.3565 173.2556 146 L 4.5275 7.9398 122.7890 52.8085 44.2101 174.6601 147 E 4.6865 8.2845 120.9572 55.0721 30.4700 175.0944 148 D 5.0115 8.7069 126.3235 53.6042 40.0191 176.1109 149 T 4.1806 7.9053 119.8601 63.9896 67.7289 175.3606 150 G 4.0618 8.0259 106.5342 45.0023 0.0000 172.7866 151 Y 4.2791 7.5860 121.9905 57.2501 39.3902 174.8032 152 Q 4.2103 7.1371 124.0281 53.6270 32.6705 175.6118 153 V 3.6173 7.6037 113.8421 62.0949 32.4830 176.1333 154 E 4.4200 8.9411 122.1785 56.6439 29.9909 175.4773 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 2 L 8.18 4.35 0.00 1.77 1.88 0.92 0.15 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 3 K 8.31 3.87 0.00 1.85 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 4 Q 7.85 4.61 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 5 V 8.42 3.97 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 0.91 0.00 0.00 0.98 0.00 0.00 6 E 9.01 4.92 0.00 1.98 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 2.14 2.24 0.00 7 I 8.04 4.91 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.79 0.00 0.00 8 F 9.33 5.23 0.00 2.91 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 9 T 8.40 5.13 3.73 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 0.50 0.00 0.00 10 D 9.23 4.77 0.00 2.77 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 11 G 8.73 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.34 4.81 0.00 3.83 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 13 C 8.43 4.77 0.00 2.92 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 14 L 8.76 4.16 0.00 1.67 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.72 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 16 N 8.04 5.01 0.00 2.66 2.68 0.00 0.00 6.94 7.69 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 17 P 0.00 4.64 0.00 1.66 1.20 0.00 3.87 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 1.86 1.92 0.00 18 G 8.48 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 19 P 0.00 5.02 0.00 2.23 2.08 0.00 3.06 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 20 G 9.35 4.31 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 0.00 21 G 9.20 4.69 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 0.00 22 Y 8.55 5.50 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 23 G 9.27 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 24 A 9.52 5.39 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 25 I 9.20 5.02 2.13 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 1.17 0.88 1.06 0.00 0.00 26 L 9.44 5.10 0.00 1.92 1.91 0.86 0.80 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 27 R 9.42 5.12 0.00 2.08 1.92 0.00 3.48 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 28 Y 9.04 5.27 0.00 3.02 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 29 R 8.53 3.45 0.00 1.76 1.00 0.00 3.14 0.00 0.00 2.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 30 G 8.64 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 0.00 0.00 0.00 0.00 31 R 7.87 4.68 0.00 1.81 1.77 0.00 3.23 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 32 E 8.67 5.12 0.00 1.97 1.82 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 2.22 2.37 0.00 33 K 9.36 4.62 0.00 1.69 1.28 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.41 7.81 34 T 8.18 5.10 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 1.21 0.00 0.00 35 F 8.97 5.04 0.00 3.09 3.15 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 36 S 8.90 4.74 0.00 3.78 3.60 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 37 A 6.83 4.42 1.04 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 38 G 8.37 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.31 5.10 0.00 2.91 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 40 T 8.87 3.84 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 1.21 0.00 0.00 41 R 7.87 4.43 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 42 T 9.13 4.43 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 1.27 0.00 0.00 43 T 8.15 4.92 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 1.29 0.00 0.00 44 N 9.05 4.21 0.00 2.98 3.27 0.00 0.00 5.96 6.96 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 45 N 7.91 4.14 0.00 2.39 1.61 0.00 0.00 7.01 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 46 R 7.75 3.83 0.00 1.96 1.89 0.00 3.47 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 47 M 8.12 3.99 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.81 0.00 48 E 8.41 4.09 0.00 2.27 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 2.41 2.66 0.00 49 L 7.96 3.97 0.00 1.73 1.51 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.16 3.77 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 51 A 7.60 3.33 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 52 F 7.45 3.97 0.00 3.31 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 53 I 7.81 3.64 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.88 0.00 0.00 54 V 7.66 3.32 1.63 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 0.71 0.00 0.00 0.81 0.00 0.00 55 A 7.04 3.25 1.15 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 0.00 0.00 56 L 7.99 3.94 0.00 1.72 1.70 1.01 1.09 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 57 E 8.08 4.04 0.00 1.91 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 2.32 2.39 0.00 58 A 7.35 4.21 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 59 L 7.17 3.91 0.00 1.65 1.41 0.46 -0.13 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 60 K 8.61 4.40 0.00 1.80 1.87 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.40 7.81 61 E 7.61 4.70 0.00 2.01 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 2.25 2.33 0.00 62 H 8.49 4.67 0.00 3.07 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.04 5.03 0.00 2.71 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 64 E 8.58 4.75 0.00 1.91 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 2.33 2.29 0.00 65 V 9.00 4.75 1.85 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 0.54 0.00 0.00 0.70 0.00 0.00 66 I 8.44 4.58 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.85 0.00 0.00 67 L 8.74 4.62 0.00 0.61 1.30 -0.45 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.80 5.04 0.00 3.71 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 69 T 9.13 5.01 4.89 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 1.87 0.00 0.00 70 D 8.98 5.49 0.00 3.03 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 71 S 8.50 4.36 0.00 4.23 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 72 Q 8.88 3.87 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 73 Y 8.04 4.16 0.00 3.17 3.07 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 0.00 0.00 0.00 74 V 8.07 3.67 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 0.72 0.00 0.00 1.12 0.00 0.00 75 R 7.53 2.51 0.00 1.14 1.49 0.00 2.58 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.73 3.14 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 77 G 6.92 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.06 3.45 1.30 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 -0.36 0.53 0.00 0.00 79 T 7.15 4.02 3.94 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 0.83 0.00 0.00 80 Q 7.44 4.13 0.00 1.40 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 81 W 7.00 3.84 0.00 1.89 1.74 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 82 I 7.18 3.30 1.60 0.00 0.00 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 1.40 1.51 0.78 0.00 0.00 83 H 7.97 3.94 0.00 3.13 3.15 0.00 5.93 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 84 N 7.78 4.15 0.00 2.87 2.94 0.00 0.00 6.08 8.88 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 85 W 7.73 4.29 0.00 2.85 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 0.00 0.00 0.00 86 K 7.57 3.31 0.00 1.57 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.29 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.36 1.12 7.81 87 K 7.38 3.93 0.00 1.74 1.78 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.50 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.42 7.81 88 R 7.70 4.40 0.00 1.93 1.91 0.00 3.34 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 89 G 7.79 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 0.00 0.00 0.00 90 W 8.10 3.40 0.00 3.51 3.19 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 91 K 7.27 4.90 0.00 1.65 1.65 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.54 7.81 92 T 8.28 4.32 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 1.15 0.00 0.00 93 A 8.48 3.93 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 94 D 8.03 4.51 0.00 2.78 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 95 K 8.03 3.86 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.52 7.81 96 K 8.09 4.35 0.00 1.92 1.66 0.00 1.67 0.00 0.00 2.03 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 97 P 0.00 4.53 0.00 1.86 1.98 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 98 V 8.12 3.26 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 0.00 0.00 -0.42 0.00 0.00 -0.42 0.00 0.00 99 K 8.35 3.83 0.00 1.80 1.78 0.00 2.04 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.52 7.81 100 N 9.02 4.49 0.00 3.28 2.97 0.00 0.00 6.87 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 0.00 101 V 7.52 3.62 2.15 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 0.75 0.00 0.00 0.74 0.00 0.00 102 D 7.99 4.20 0.00 2.83 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 0.00 103 L 7.74 3.98 0.00 1.72 1.59 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.24 4.49 0.00 3.41 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 3.65 0.00 1.75 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 106 R 7.86 3.85 0.00 1.94 2.05 0.00 3.07 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 107 L 8.54 3.97 0.00 1.79 1.95 1.04 1.13 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 0.00 108 D 9.00 4.53 0.00 3.18 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 0.00 109 A 8.12 4.02 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 0.00 110 A 8.03 4.10 1.41 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 0.00 0.00 0.00 111 L 8.37 4.09 0.00 1.96 1.86 1.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.22 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 0.00 113 Q 8.03 4.42 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.62 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 114 H 7.41 5.03 0.00 2.94 3.23 0.00 5.65 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 0.00 115 Q 9.01 4.27 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 116 I 8.17 4.48 1.76 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 1.36 0.74 0.02 0.00 0.00 117 K 8.85 4.35 0.00 1.63 1.57 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.29 7.81 118 W 8.54 4.58 0.00 2.64 1.74 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 0.00 119 E 8.84 4.34 0.00 1.80 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 2.07 2.10 0.00 120 W 8.38 5.41 0.00 3.20 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 0.00 121 V 8.91 4.36 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 0.80 0.00 0.00 1.04 0.00 0.00 122 K 9.12 4.05 0.00 1.73 1.58 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.50 7.81 123 G 8.76 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 0.00 124 H 8.74 4.33 0.00 3.23 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.00 4.18 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 0.00 126 G 9.19 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 0.00 127 H 8.07 4.91 0.00 3.33 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.18 0.00 2.15 2.24 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 129 E 7.72 3.67 0.00 1.16 1.13 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 1.47 2.01 0.00 130 N 8.05 4.39 0.00 3.03 3.00 0.00 0.00 6.70 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 0.00 131 E 8.27 3.61 0.00 1.80 1.93 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 2.22 2.06 0.00 132 R 8.00 3.93 0.00 1.87 1.98 0.00 3.12 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 133 C 8.26 4.19 0.00 3.26 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 0.00 134 D 8.03 4.94 0.00 2.94 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 0.00 135 E 7.95 3.96 0.00 2.03 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 2.30 2.34 0.00 136 L 8.15 3.95 0.00 1.93 1.70 0.95 0.63 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 0.00 137 A 8.41 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.87 0.00 1.96 2.02 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 139 A 8.10 4.09 1.36 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 0.00 0.00 0.00 140 A 8.07 3.87 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 0.00 141 A 7.74 4.09 1.36 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 0.00 0.00 0.00 142 M 7.70 4.21 0.00 1.94 2.36 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 143 N 7.82 5.04 0.00 2.62 2.67 0.00 0.00 7.02 7.32 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 0.00 144 P 0.00 4.33 0.00 2.15 2.15 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.16 4.48 4.16 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 0.00 0.00 0.00 1.20 0.00 0.00 146 L 7.94 4.53 0.00 0.44 1.19 0.61 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.28 4.69 0.00 2.02 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 2.41 2.34 0.00 148 D 8.71 5.01 0.00 2.87 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 0.00 149 T 7.91 4.18 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 1.26 0.00 0.00 150 G 8.03 4.06 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 0.00 0.00 0.00 151 Y 7.59 4.28 0.00 3.06 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 0.00 152 Q 7.14 4.21 0.00 1.77 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 153 V 7.60 3.62 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 0.75 0.00 0.00 0.88 0.00 0.00 154 E 8.94 4.42 0.00 1.97 2.13 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 2.09 2.14 0.00