NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 L 3.9554 8.0276 122.4740 55.0458 42.6326 176.3813 *2 D 5.1300 7.3180 126.9135 51.3830 40.6281 175.3224 3 G 3.9482 6.7676 104.7846 45.0120 0.0000 171.5763 4 T 5.2128 8.3453 120.9763 61.5345 71.3406 173.1646 5 V 4.6836 8.9815 127.5651 60.8730 34.6762 173.9135 6 L 5.0796 8.8906 129.5397 53.5177 44.1343 174.9436 7 L 4.8830 8.7273 127.5163 53.5575 43.2988 176.0219 8 I 4.6119 8.1026 126.8787 60.1141 37.9426 174.8763 9 D 4.7674 8.5691 123.8701 53.6515 44.6097 176.3805 10 Y 4.3640 9.3399 123.1880 59.9324 38.4085 176.5699 11 F 4.2586 9.2238 120.0666 55.9199 39.5669 175.9433 12 E 3.9117 8.6490 125.6542 59.5058 29.5512 178.2452 13 Y 4.1985 7.8206 117.1170 60.0770 37.9994 178.0672 14 E 4.1063 7.6499 120.1672 59.2390 29.6408 179.1861 15 R 3.8788 7.9426 118.1693 59.1522 30.1154 178.7052 16 E 3.8400 8.4705 119.4060 59.1124 29.5145 178.6738 17 K 3.9368 8.2244 119.6633 59.9200 32.0014 178.9193 18 T 4.0335 7.8312 115.0073 66.6066 68.7314 176.5469 19 K 3.4342 8.0052 120.4674 59.1112 31.8330 179.3162 20 I 3.9309 7.6244 121.4028 64.1128 36.9567 178.3397 21 I 3.5405 7.6529 120.3302 64.5586 36.9602 177.6825 22 F 4.2961 8.3901 116.6610 58.8080 38.7479 177.0167 23 D 4.5913 9.0890 120.4606 56.8955 40.3341 177.8444 24 N 4.6355 7.7213 116.1046 55.3809 39.1175 177.2089 25 I 3.9450 7.8814 120.0826 64.0267 37.8184 176.3194 26 G 3.9088 7.9486 105.0268 45.9261 0.0000 171.6902 27 E 4.5170 8.2580 123.6862 55.1074 29.9920 176.3013 28 Y 4.8232 8.4261 123.8644 56.0789 41.6853 174.9727 29 D 4.6666 9.4163 122.7770 53.2655 42.8541 175.5085 30 F 5.3713 8.6254 120.8021 55.6921 42.1732 174.6616 31 I 4.4639 9.0300 124.4429 59.7066 39.4804 174.3201 32 E 4.9454 8.8090 127.0190 55.0016 31.4286 176.2284 33 V 4.3934 8.8843 124.5172 61.1959 33.5025 175.7537 34 E 4.1833 9.0864 126.3247 57.1137 30.5076 175.6051 35 N 3.1782 7.5258 116.1986 50.0773 40.9343 174.8523 36 L 4.1474 7.9641 120.6188 58.2297 41.5617 179.7742 37 K 3.9932 8.1894 118.6426 59.6649 31.5751 178.4605 38 K 3.9797 7.9811 119.2574 59.4734 32.1641 178.0147 39 F 3.9171 8.3484 120.9470 61.7893 39.0471 176.7072 40 Y 4.1572 7.7747 116.1217 60.9888 37.8555 178.3549 41 S 4.4227 7.8880 112.6738 60.0253 62.7677 174.3051 42 I 4.7673 7.3518 111.3368 60.5660 39.3710 176.9828 43 F 3.8909 8.4431 117.2646 59.2964 37.4728 176.8890 44 K 3.6435 7.3420 118.5252 57.2492 32.1358 176.8929 45 D 4.5775 8.1103 118.2671 54.4164 41.7441 177.0155 46 L 3.9954 7.0292 118.7148 54.9958 41.9337 176.1544 47 D 4.5957 8.1839 122.1830 53.7412 44.6880 175.0941 48 S 3.6405 8.5873 119.0784 59.2865 61.4241 171.4860 49 I 4.2422 7.2565 120.5281 61.0838 38.5200 176.4650 50 T 4.2163 8.2889 120.3272 64.3862 68.1383 174.5175 51 L 4.6175 7.5940 121.0359 54.0697 45.8197 173.3538 52 I 4.9400 8.7566 127.2088 59.6551 39.6656 174.6774 53 I 5.4284 8.5547 127.4275 58.4829 40.9191 174.4324 *55 D 4.9124 8.8102 123.6997 54.0459 41.2943 175.2555 56 I 3.6395 8.4547 120.4220 63.6707 37.6336 175.5120 57 A 4.3987 8.3222 124.7818 51.1586 16.6224 176.0047 58 F 4.8782 7.8779 123.4483 55.7940 39.4003 172.8295 59 P 3.9796 0.0000 0.0000 63.2049 32.4757 177.4850 60 V 4.4388 7.0893 111.8125 58.7167 35.2864 175.8999 61 E 3.8292 8.6058 121.9745 59.8322 28.9292 179.8414 62 K 4.0193 7.6233 118.5551 59.4910 32.1661 178.5002 63 E 4.1303 8.2947 119.1213 59.1312 29.5149 179.3068 64 G 4.1209 7.8722 106.6273 47.2586 0.0000 175.4991 65 L 3.9135 8.3085 121.7969 57.6072 41.5730 179.4674 66 E 3.8996 7.8799 118.5976 59.2918 29.2985 179.6270 67 V 3.1204 7.5807 118.2116 65.5635 31.4201 177.5939 68 L 3.6076 7.8346 120.4064 58.1492 41.7319 178.7542 69 S 3.5735 7.4809 112.7445 61.3096 62.0586 175.8065 70 A 4.0994 7.8603 122.1050 55.4422 18.1931 179.3768 71 I 4.0137 7.9872 118.4193 64.8203 36.7356 179.0132 72 R 4.0413 8.2973 118.8802 58.6305 29.6828 177.7898 73 N 4.9364 8.3235 114.0798 52.1206 39.2675 174.1477 74 N 4.7742 7.5979 121.4287 52.1530 39.9048 175.0250 75 S 4.1263 8.9459 122.4839 62.3174 62.9797 176.7967 76 R 4.2104 7.8778 115.6958 58.0232 29.8331 177.4744 77 T 5.0812 8.5166 105.3823 60.4070 70.5815 175.4684 78 A 4.2341 7.8037 126.0803 54.3512 18.3620 178.5321 79 N 4.8993 7.9073 109.5868 52.9684 40.1637 175.0003 80 T 3.9011 7.5818 117.4947 63.0699 69.0702 171.6028 81 P 4.6559 0.0000 0.0000 62.9498 32.6584 175.1644 82 V 4.8062 8.4840 123.0719 61.0467 34.7637 173.8188 83 I 4.6843 9.1151 128.7919 59.6303 39.7481 174.4854 84 I 4.4264 8.4846 128.6320 59.9176 38.8491 174.8135 85 A 4.7455 8.3036 127.9835 50.3765 21.7272 174.4878 86 T 4.7124 9.2104 116.7593 60.8596 71.0705 174.5510 87 K 4.3988 8.7580 125.6209 57.6527 32.8575 177.0929 88 S 4.6061 8.1343 114.3786 57.7583 63.7872 173.5938 89 D 5.0578 8.4842 122.4965 52.5011 39.9070 175.7198 90 N 4.4284 8.3963 118.3299 54.0010 40.2128 173.0385 91 P 4.3373 0.0000 0.0000 65.7342 31.5758 179.1212 92 G 3.5190 7.9320 104.0573 47.9993 0.0000 175.2158 93 Y 4.4376 7.8254 118.5875 60.6901 38.0502 178.2095 94 R 3.8293 7.8913 119.8853 59.6737 29.9817 177.9424 95 H 4.0439 8.0877 116.4183 59.3618 30.0060 176.7007 96 A 4.0700 8.4465 122.5215 55.0551 18.0681 179.4753 97 A 4.2928 8.2298 119.4122 55.3612 18.2877 179.7145 98 L 4.1066 7.7495 115.9996 57.2089 41.6817 179.4025 99 K 3.9747 7.5483 118.1738 58.1322 32.1869 177.5797 100 F 4.4304 6.9512 116.7066 56.5728 39.8915 175.0270 101 K 4.4880 8.5121 122.5552 55.7055 32.9836 176.8112 102 V 4.6693 8.0233 115.7251 59.7261 35.0397 176.0584 103 S 4.3837 9.1754 119.3260 60.9321 63.4627 173.5772 104 D 4.5066 7.5736 117.1119 53.8274 44.5753 173.9970 105 Y 4.9331 8.6419 122.5765 56.1591 41.3849 174.0332 106 I 4.6009 8.9402 128.8270 59.4422 40.2964 174.9736 107 L 5.0786 8.6086 125.9757 53.6877 43.2486 175.9616 108 K 4.7935 8.8589 122.2465 54.3387 33.7598 175.0942 109 P 4.5240 0.0000 0.0000 62.3125 32.2202 175.3325 110 Y 4.8784 7.3883 117.4916 54.0601 40.9612 173.5222 111 P 4.2770 0.0000 0.0000 63.1581 31.7599 177.5144 112 T 4.2264 8.5516 108.1195 62.7175 68.2920 175.0807 113 K 4.4136 8.9174 124.8144 58.0516 33.1508 178.2968 114 R 3.8901 7.9260 118.6305 59.4992 29.9315 178.2201 115 L 3.7957 7.9359 119.5223 57.7721 42.1623 177.9369 116 E 3.7549 8.1950 118.8733 59.4954 29.4450 178.3092 117 N 4.2390 7.8614 115.7941 56.4555 38.6347 176.8783 118 S 4.0519 7.5626 113.9374 61.6754 62.3082 176.3478 119 V 3.5083 7.8621 120.5136 66.2984 31.0252 178.0438 120 R 3.9479 7.7381 116.0708 60.1427 30.1544 178.5891 121 S 4.2054 9.0292 115.7030 60.2791 62.5308 176.5496 122 V 3.5591 7.9067 123.8625 65.7878 31.6594 177.3687 123 L 4.4146 8.1920 117.0529 53.6501 42.4836 176.9479 124 K 4.1972 8.5736 116.5541 56.2232 31.9365 176.0019 125 I 3.7648 7.9586 118.7437 62.1295 38.0713 173.5975 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 -1 L 8.03 3.96 0.00 1.63 1.58 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 7.32 5.13 0.00 2.68 2.61 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 3 G 6.77 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 4 T 8.35 5.21 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 1.17 0.00 0.00 5 V 8.98 4.68 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 0.97 0.00 0.00 0.40 0.00 0.00 6 L 8.89 5.08 0.00 1.76 1.50 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.73 4.88 0.00 1.67 1.55 0.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.10 4.61 1.49 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 0.95 0.43 -0.43 0.00 0.00 9 D 8.57 4.77 0.00 2.81 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 10 Y 9.34 4.36 0.00 2.72 2.44 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 11 F 9.22 4.26 0.00 2.78 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 0.00 0.00 0.00 12 E 8.65 3.91 0.00 2.01 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 0.00 2.42 2.38 0.00 13 Y 7.82 4.20 0.00 3.23 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 14 E 7.65 4.11 0.00 2.12 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 2.01 2.16 0.00 15 R 7.94 3.88 0.00 2.00 1.98 0.00 3.10 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 1.64 1.84 0.00 16 E 8.47 3.84 0.00 2.27 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 2.36 0.00 17 K 8.22 3.94 0.00 2.14 2.02 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 T 7.83 4.03 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 1.36 0.00 0.00 19 K 8.01 3.43 0.00 1.65 1.37 0.00 1.22 0.00 0.00 1.23 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.09 7.81 20 I 7.62 3.93 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.95 0.00 0.00 21 I 7.65 3.54 2.14 0.00 0.00 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 1.58 0.90 0.83 0.00 0.00 22 F 8.39 4.30 0.00 3.67 3.51 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 23 D 9.09 4.59 0.00 2.82 2.79 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 0.00 0.00 0.00 24 N 7.72 4.64 0.00 2.66 2.87 0.00 0.00 7.02 7.31 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 25 I 7.88 3.94 1.83 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.36 0.95 0.00 0.00 26 G 7.95 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 27 E 8.26 4.52 0.00 1.89 1.73 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 2.22 2.26 0.00 28 Y 8.43 4.82 0.00 2.41 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 0.00 0.00 0.00 29 D 9.42 4.67 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.63 5.37 0.00 2.89 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 31 I 9.03 4.46 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 1.23 1.02 0.92 0.00 0.00 32 E 8.81 4.95 0.00 1.84 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 0.00 2.23 2.31 0.00 33 V 8.88 4.39 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 1.20 0.00 0.00 0.98 0.00 0.00 34 E 9.09 4.18 0.00 1.96 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 2.15 2.07 0.00 35 N 7.53 3.18 0.00 2.52 2.08 0.00 0.00 6.25 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 36 L 7.96 4.15 0.00 1.78 1.99 1.25 0.84 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 37 K 8.19 3.99 0.00 1.91 1.83 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.62 7.81 38 K 7.98 3.98 0.00 1.89 1.96 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.68 1.57 7.81 39 F 8.35 3.92 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.77 4.16 0.00 3.15 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 41 S 7.89 4.42 0.00 3.87 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 0.00 42 I 7.35 4.77 1.82 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 1.62 0.64 0.94 0.00 0.00 43 F 8.44 3.89 0.00 2.72 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 0.00 0.00 0.00 44 K 7.34 3.64 0.00 1.45 1.62 0.00 1.46 0.00 0.00 1.10 0.00 0.00 2.55 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.41 1.10 7.81 45 D 8.11 4.58 0.00 2.67 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 46 L 7.03 4.00 0.00 1.78 1.61 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.18 4.60 0.00 2.53 2.44 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 48 S 8.59 3.64 0.00 4.11 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 49 I 7.26 4.24 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 1.30 0.87 0.98 0.00 0.00 50 T 8.29 4.22 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 1.34 0.00 0.00 51 L 7.59 4.62 0.00 1.78 1.41 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.76 4.94 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.85 0.00 0.00 53 I 8.55 5.43 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.82 0.92 0.00 0.00 *55 D 8.81 4.91 0.00 2.77 2.80 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 56 I 8.45 3.64 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.91 0.00 0.00 57 A 8.32 4.40 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 58 F 7.88 4.88 0.00 3.10 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 59 P 0.00 3.98 0.00 1.66 0.66 0.00 3.59 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 60 V 7.09 4.44 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 0.71 0.00 0.00 0.85 0.00 0.00 61 E 8.61 3.83 0.00 1.16 1.12 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 2.19 2.27 0.00 62 K 7.62 4.02 0.00 1.85 1.79 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.61 7.81 63 E 8.29 4.13 0.00 2.20 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 0.00 2.29 2.43 0.00 64 G 7.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.31 3.91 0.00 1.88 1.78 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.88 3.90 0.00 2.16 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 0.00 2.37 2.50 0.00 67 V 7.58 3.12 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 -0.41 0.00 0.00 0.38 0.00 0.00 68 L 7.83 3.61 0.00 1.59 1.04 0.96 0.75 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 69 S 7.48 3.57 0.00 3.61 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.86 4.10 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 71 I 7.99 4.01 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.86 0.95 0.00 0.00 72 R 8.30 4.04 0.00 2.03 2.10 0.00 3.37 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 73 N 8.32 4.94 0.00 2.84 2.93 0.00 0.00 6.90 8.24 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 74 N 7.60 4.77 0.00 3.12 2.98 0.00 0.00 7.12 7.52 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 75 S 8.95 4.13 0.00 3.91 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 76 R 7.88 4.21 0.00 1.75 2.03 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 77 T 8.52 5.08 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 1.24 0.00 0.00 78 A 7.80 4.23 1.43 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 0.00 0.00 79 N 7.91 4.90 0.00 2.71 2.85 0.00 0.00 6.91 7.54 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 80 T 7.58 3.90 4.33 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 1.28 0.00 0.00 81 P 0.00 4.66 0.00 2.12 2.20 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 82 V 8.48 4.81 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 1.04 0.00 0.00 0.95 0.00 0.00 83 I 9.12 4.68 1.84 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 1.20 1.09 0.81 0.00 0.00 84 I 8.48 4.43 1.73 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 1.05 0.92 0.39 0.00 0.00 85 A 8.30 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.21 4.71 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 87 K 8.76 4.40 0.00 1.66 1.78 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.46 7.81 88 S 8.13 4.61 0.00 4.20 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 89 D 8.48 5.06 0.00 2.83 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 90 N 8.40 4.43 0.00 3.05 3.03 0.00 0.00 7.10 7.71 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 91 P 0.00 4.34 0.00 2.15 2.04 0.00 3.63 0.00 0.00 3.87 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 92 G 7.93 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 0.00 0.00 0.00 93 Y 7.83 4.44 0.00 3.12 2.97 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 94 R 7.89 3.83 0.00 1.52 1.94 0.00 2.72 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 95 H 8.09 4.04 0.00 3.15 3.52 0.00 6.01 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 96 A 8.45 4.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.23 4.29 1.65 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 0.00 0.00 98 L 7.75 4.11 0.00 1.78 1.73 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.55 3.97 0.00 1.40 1.53 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.42 7.81 100 F 6.95 4.43 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.51 4.49 0.00 1.79 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 102 V 8.02 4.67 2.26 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 0.81 0.00 0.00 1.08 0.00 0.00 103 S 9.18 4.38 0.00 3.74 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 0.00 104 D 7.57 4.51 0.00 2.69 2.41 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 0.00 105 Y 8.64 4.93 0.00 2.97 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 0.00 106 I 8.94 4.60 1.56 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 1.13 0.75 0.60 0.00 0.00 107 L 8.61 5.08 0.00 1.59 1.66 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.86 4.79 0.00 1.60 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.57 7.81 109 P 0.00 4.52 0.00 1.99 1.86 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 110 Y 7.39 4.88 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.28 0.00 2.27 2.25 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 112 T 8.55 4.23 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 1.15 0.00 0.00 113 K 8.92 4.41 0.00 1.73 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.56 7.81 114 R 7.93 3.89 0.00 2.11 2.01 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 115 L 7.94 3.80 0.00 1.75 1.66 1.01 0.74 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 0.00 116 E 8.20 3.75 0.00 2.11 1.91 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 2.30 2.34 0.00 117 N 7.86 4.24 0.00 2.72 2.84 0.00 0.00 6.72 8.90 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 0.00 118 S 7.56 4.05 0.00 3.96 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 0.00 119 V 7.86 3.51 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 0.83 0.00 0.00 0.80 0.00 0.00 120 R 7.74 3.95 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 121 S 9.03 4.21 0.00 3.89 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 0.00 122 V 7.91 3.56 2.24 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 0.76 0.00 0.00 0.97 0.00 0.00 123 L 8.19 4.41 0.00 1.77 1.75 0.97 0.85 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 0.00 124 K 8.57 4.20 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.52 7.81 125 I 7.96 3.76 1.89 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 1.30 0.54 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.