NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4153 8.1133 117.4313 55.1494 31.3734 174.9351 3 P 4.4741 0.0000 0.0000 62.1460 31.9271 174.9278 4 L 4.3904 8.9560 121.2917 54.5751 43.6154 177.5357 5 T 4.2441 9.3451 118.2787 63.1099 70.3888 175.9999 6 E 3.9539 8.6732 122.5641 59.8220 29.3647 179.4456 7 E 3.9639 8.0522 118.7184 58.9826 29.5407 178.5594 8 E 3.9831 7.8841 117.7360 59.5053 29.6936 178.6397 9 T 4.0430 8.0398 115.1919 66.6382 68.7892 176.1982 10 R 4.0810 7.7485 120.5229 59.4250 30.1508 178.9607 11 V 3.7229 7.3567 114.2485 64.3466 31.4598 176.8578 *13 F 4.3849 7.9373 120.7489 58.0216 40.9510 176.8671 14 E 4.1543 9.0168 119.3243 59.2303 29.5774 179.0320 15 K 4.1597 8.2090 119.6912 59.6939 32.3892 179.1067 16 I 3.7546 7.6259 119.3704 64.1588 37.0215 178.0684 17 A 4.3558 7.9108 122.8161 54.1609 18.0088 179.4887 18 K 4.0230 7.9879 116.3733 58.5775 31.8656 178.1451 19 Y 4.7603 8.1047 116.5651 57.8399 39.8069 176.8231 20 I 4.8081 7.3300 111.0448 59.6111 39.8555 177.1606 21 G 3.9637 8.0740 115.3144 47.4322 0.0000 175.6778 22 E 4.8395 9.0319 117.2195 55.8035 29.7880 176.3930 23 N 4.6835 7.8935 114.8339 54.1964 39.2453 175.9374 24 L 3.9133 7.6362 123.7853 58.0810 42.0857 178.5502 25 Q 4.0750 8.1362 117.0376 59.1467 28.0740 178.6137 26 L 3.9246 7.7323 120.7538 57.2687 41.5714 178.6627 27 L 4.3169 7.8473 118.2741 56.6349 42.0077 178.8934 28 V 3.9664 7.6653 117.9521 64.6746 32.9067 175.7925 29 D 4.9470 8.0345 120.0128 52.8825 39.5156 176.2631 30 R 4.1584 7.5438 121.7277 55.0418 31.3084 175.2926 31 P 4.4004 0.0000 0.0000 64.8855 31.2634 176.3640 32 D 4.8330 7.8922 117.8600 53.4351 39.6724 175.5915 33 G 4.1796 7.9026 105.9621 44.6180 0.0000 174.6154 34 T 4.4739 8.4840 116.4906 63.7452 69.6318 173.3079 35 Y 4.7563 8.7701 122.6300 56.4442 41.3326 174.7408 36 C 4.6386 8.7129 115.6546 56.8170 33.8492 171.9043 37 F 5.5507 8.6628 116.1393 56.1599 41.5235 175.0209 38 R 4.9619 9.1243 122.3771 54.3048 33.4442 174.7153 39 L 5.1073 8.9591 125.2815 54.7309 44.0651 176.1054 40 H 4.3991 9.5417 122.4267 56.6982 31.8320 173.2570 41 N 4.3969 9.4565 124.8520 54.5680 35.6725 175.1347 42 D 4.8257 8.4104 115.5094 54.4379 40.4998 173.0776 43 R 4.7866 7.6700 116.9731 55.4231 31.8603 175.2089 44 V 4.6850 8.6650 122.4641 62.2161 33.4366 174.1226 45 Y 5.1472 9.1093 125.2407 56.3406 41.1385 173.9574 46 Y 4.8135 9.1851 126.5568 56.6528 40.0832 174.5011 47 V 4.5663 7.9434 125.5121 59.9487 35.1709 174.3910 48 S 3.2869 7.6733 117.0782 57.6733 63.4649 174.4099 49 E 3.9334 8.1122 122.1218 59.2681 29.5867 178.9936 50 K 4.0379 7.8892 117.4795 59.6670 32.3232 180.2899 51 I 3.7414 7.0812 119.2053 61.2402 35.9235 177.4598 *53 K 4.2321 8.0618 119.7324 55.8693 32.2229 175.3374 54 L 4.6875 7.5692 117.9038 54.8783 42.3290 176.4358 55 A 4.2707 7.7927 120.2120 52.6828 19.5421 179.2726 56 A 3.8928 8.6091 120.6465 52.4754 16.8939 178.5282 57 N 4.8327 7.7010 111.2921 52.9217 40.7748 175.1284 58 I 4.5754 6.9094 116.5772 59.0223 39.9289 176.5295 59 S 4.0901 8.6284 115.5808 59.0644 62.8902 174.7775 60 G 4.2603 8.4804 116.6615 47.1248 0.0000 175.8857 61 D 4.2235 8.0038 117.5476 56.9974 41.5501 178.1047 62 K 4.1007 7.6785 117.9798 59.1252 31.8801 179.1525 63 L 3.9986 7.6264 120.4107 57.9505 41.9032 179.0307 64 V 3.1223 7.8786 118.6801 65.6435 31.2117 177.6782 65 S 4.4054 7.4193 111.2988 59.8297 62.9425 175.3482 66 L 4.4956 7.3753 121.0500 54.4528 41.9501 175.7253 67 G 4.2828 7.5371 107.0898 43.7420 0.0000 172.0167 68 T 4.9019 8.7698 115.4521 61.5534 71.2987 173.8767 69 C 4.3532 9.1698 127.2621 59.6768 31.8965 172.9103 70 F 4.9237 9.6824 123.7416 56.9778 41.4600 175.7555 71 G 3.2476 7.0284 103.1141 46.2673 0.0000 171.1942 72 K 4.8938 6.9200 117.4162 55.1247 36.6058 175.3021 73 F 5.1494 8.8498 121.0569 56.8570 40.0063 176.5591 74 T 4.2893 8.6834 114.5544 60.5066 69.8600 175.4750 75 K 4.0131 8.4557 121.9635 59.3891 32.2683 176.8097 76 T 4.2574 7.9690 111.8788 61.5411 67.5928 173.9478 77 H 4.0638 7.6633 116.7741 56.9881 28.6824 173.1448 78 K 4.8455 8.1526 121.1139 54.6610 36.6638 175.4447 79 F 4.6836 8.7698 126.6084 56.6319 40.3865 174.9913 80 R 4.0781 8.0497 128.9848 54.8534 30.8756 175.3167 81 L 4.2351 8.1732 129.1706 55.3030 43.0394 175.5239 82 H 5.1699 9.0929 122.9964 53.8914 31.3769 176.3248 83 V 3.8179 8.5100 121.2935 64.5078 31.0165 178.3284 84 T 4.0178 7.9580 109.1965 63.9858 68.9966 175.3050 85 A 4.0838 8.2079 123.4027 53.2846 18.6889 178.7171 86 L 3.5454 7.7534 119.8159 58.6593 41.7877 179.0391 87 D 4.1927 7.8667 115.8819 56.7749 40.7638 177.4232 88 Y 4.3314 7.5555 116.3471 59.7589 38.5354 177.2194 89 L 4.3889 7.7762 118.9981 56.8608 42.3198 178.4308 90 A 3.9791 7.9525 120.9529 55.0607 18.0783 177.8003 91 P 4.3364 0.0000 0.0000 64.2749 31.3731 176.6095 92 Y 4.7425 7.7236 114.0606 57.4081 38.7156 175.1684 93 A 4.8405 7.7687 123.2941 49.7318 19.1088 177.6342 94 K 3.8042 8.7372 124.5624 59.7925 32.7445 176.4264 95 Y 4.6965 7.6036 117.9081 56.8453 39.0956 175.0066 96 K 5.0657 9.3220 124.0498 54.4658 36.5150 175.7876 97 V 4.8041 7.9598 114.3212 59.4390 35.7489 174.5878 98 W 5.1546 9.6337 125.3805 54.8436 31.2301 175.0341 99 I 5.0559 8.3996 118.1554 58.7966 39.9518 175.6829 100 K 4.2724 8.9769 123.7326 55.5697 33.2922 176.3854 101 P 4.3027 0.0000 0.0000 66.0980 31.2516 179.1163 102 G 3.5905 8.0983 103.3235 47.8847 0.0000 175.4704 103 A 4.0953 7.9544 123.1393 54.5500 18.3560 179.1427 104 E 3.8974 8.6426 118.4271 59.4756 29.2298 178.8445 105 Q 3.7392 8.0574 119.5707 59.3028 29.0715 178.2457 106 S 4.2942 8.0166 113.6707 61.2679 62.3009 175.9201 107 F 4.4851 8.4907 125.3148 60.6603 38.9967 177.0010 108 L 4.2081 8.0367 118.4699 56.0893 41.3836 177.8028 109 Y 4.8536 7.1612 114.4714 57.4233 38.2373 176.3034 110 G 3.3656 7.9889 108.5541 44.9947 0.0000 173.4615 111 N 4.8740 8.1997 118.3109 51.9589 40.8392 174.1850 112 H 4.9232 8.2986 115.7581 55.4666 30.2534 174.8062 113 V 4.2352 8.7031 119.7399 62.1487 32.9927 174.9715 114 L 4.9866 8.2948 126.2657 52.8022 44.3173 177.1780 115 K 3.7601 9.0102 123.4431 59.8063 32.1215 179.2652 116 S 4.1801 8.0250 111.9316 60.5754 62.9263 175.0662 117 G 3.8224 8.2407 109.1383 45.1305 0.0000 172.8786 118 L 4.4035 7.7579 123.2393 54.6803 42.0116 176.3291 119 G 3.9162 8.9409 115.0388 48.6509 0.0000 173.4716 120 R 4.7252 7.6598 116.9513 55.4742 33.3655 173.3818 121 I 5.3393 8.4185 123.7961 59.3395 41.3271 174.7087 122 T 4.2347 8.8678 125.4152 63.9236 68.8853 174.2421 123 E 4.0507 9.0234 124.4942 57.4119 30.4208 175.8822 124 N 4.0579 8.5182 116.7280 54.9242 37.5382 174.7828 125 T 3.7594 7.4586 113.8805 61.9312 69.7414 175.7530 126 S 4.5891 7.7732 122.7134 57.3720 63.9330 173.3389 127 Q 3.7466 8.0265 122.9368 57.5127 29.0901 175.7744 128 Y 4.0253 8.2944 121.2680 58.1466 36.5896 169.3256 129 Q 4.0163 7.6175 122.9381 55.7994 30.3228 175.4700 130 G 3.7288 8.3131 113.6607 45.6053 0.0000 173.0639 131 V 5.0585 9.3310 118.3668 59.5959 36.4008 174.5533 132 V 4.5816 8.2640 121.7518 61.3245 33.5151 174.6124 133 V 4.2135 8.5307 128.8694 62.1964 32.7007 174.5204 134 Y 5.0850 8.8516 125.4684 56.1781 41.9498 178.3997 135 S 4.3971 8.9340 118.8787 59.0498 61.2351 175.9306 *137 A 4.1295 9.0066 118.7610 50.8852 19.8246 176.7106 138 D 4.7210 8.3552 115.0332 56.0782 40.2773 173.4317 139 I 4.6168 7.3230 109.4212 57.6144 39.7598 173.1002 140 P 3.9150 0.0000 0.0000 62.6719 31.6951 176.1010 141 L 4.5127 9.1885 122.4375 53.4659 44.3425 176.7589 142 G 3.6086 6.4885 103.8470 45.7770 0.0000 170.1428 143 F 5.3855 8.2830 117.9187 55.9551 41.9526 175.5797 144 G 4.8372 9.8216 108.8326 45.0981 0.0000 171.0557 145 V 5.0654 8.8036 118.5296 60.5186 34.5143 174.7042 146 A 4.3860 8.8030 130.2629 52.6944 18.5778 177.9728 147 A 4.1243 8.6385 125.5399 53.8185 19.2002 177.5182 148 K 4.4748 7.5672 112.1284 53.5876 36.3302 176.4155 149 S 4.4450 8.0557 115.0149 58.1442 65.0178 174.8683 150 T 3.7525 8.2764 117.3328 65.4104 66.7982 175.8982 151 Q 4.0653 7.8926 120.9242 59.3607 29.2780 177.6642 152 D 4.4079 7.9634 119.0421 57.0557 40.5418 178.4825 153 C 4.1301 8.0871 117.1790 62.5084 28.0785 175.3982 154 R 4.0297 7.4430 118.8335 59.1271 29.7129 177.9172 155 K 4.1181 7.9141 116.1721 57.6237 32.5178 176.9675 156 V 4.0644 6.9319 117.5581 61.0300 32.5560 175.4672 157 D 4.5913 8.4349 121.0824 52.3341 40.3002 173.9049 158 P 4.1209 0.0000 0.0000 63.4669 32.3828 175.1153 *160 A 4.3643 8.1507 120.0700 52.8837 20.4754 176.5552 161 I 4.3560 8.1585 120.5821 61.1173 37.6634 176.3437 162 V 4.2167 8.6473 118.5732 61.1808 34.6211 175.7414 163 V 4.5862 7.0973 120.7599 61.5785 34.8057 173.2778 164 F 4.9907 9.3434 127.7996 57.2161 40.5037 174.5392 165 H 4.9088 9.2221 123.1004 56.7948 29.9168 173.0993 166 Q 4.6330 8.6636 124.9205 57.0197 30.8014 175.1614 167 A 4.6886 7.4604 118.8384 50.7009 22.6998 174.1814 168 D 5.2138 8.3079 119.8194 51.2877 43.2664 174.6348 169 I 3.8715 8.5109 115.0547 61.6761 38.8756 176.2142 170 G 3.9543 8.6441 112.4418 45.8516 0.0000 173.1158 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 R 8.11 4.42 0.00 1.93 2.16 0.00 2.95 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 3 P 0.00 4.47 0.00 2.17 2.06 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 4 L 8.96 4.39 0.00 1.70 1.64 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.35 4.24 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 1.19 0.00 0.00 6 E 8.67 3.95 0.00 1.98 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 2.39 2.37 0.00 7 E 8.05 3.96 0.00 2.03 1.87 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 2.24 2.32 0.00 8 E 7.88 3.98 0.00 2.09 1.68 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 1.66 2.22 0.00 9 T 8.04 4.04 4.40 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 1.27 0.00 0.00 10 R 7.75 4.08 0.00 1.80 2.09 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 11 V 7.36 3.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.13 0.00 0.00 *13 F 7.94 4.38 0.00 3.21 3.17 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 14 E 9.02 4.15 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 15 K 8.21 4.16 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.88 1.68 7.81 16 I 7.63 3.75 1.62 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.51 0.80 0.00 0.00 17 A 7.91 4.36 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 18 K 7.99 4.02 0.00 1.88 1.46 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.67 7.81 19 Y 8.10 4.76 0.00 2.92 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 20 I 7.33 4.81 2.08 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 1.55 0.71 1.10 0.00 0.00 21 G 8.07 3.96 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 0.00 0.00 0.00 22 E 9.03 4.84 0.00 2.13 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 2.20 2.32 0.00 23 N 7.89 4.68 0.00 2.90 2.61 0.00 0.00 6.71 6.57 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 24 L 7.64 3.91 0.00 1.52 1.50 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.14 4.07 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 26 L 7.73 3.92 0.00 1.42 0.90 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.85 4.32 0.00 1.85 1.77 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.67 3.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.13 0.00 0.00 29 D 8.03 4.95 0.00 2.79 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 30 R 7.54 4.16 0.00 1.94 2.09 0.00 3.27 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 31 P 0.00 4.40 0.00 2.25 2.21 0.00 3.82 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 2.04 2.01 0.00 32 D 7.89 4.83 0.00 2.86 2.83 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 33 G 7.90 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 0.00 0.00 0.00 0.00 34 T 8.48 4.47 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 1.26 0.00 0.00 35 Y 8.77 4.76 0.00 2.73 2.25 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 36 C 8.71 4.64 0.00 2.82 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 37 F 8.66 5.55 0.00 2.97 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 38 R 9.12 4.96 0.00 1.79 1.86 0.00 3.30 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 39 L 8.96 5.11 0.00 1.77 1.67 0.97 1.10 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 40 H 9.54 4.40 0.00 3.26 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.46 4.40 0.00 3.03 2.99 0.00 0.00 7.19 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 42 D 8.41 4.83 0.00 2.97 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 43 R 7.67 4.79 0.00 2.08 1.53 0.00 3.36 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 44 V 8.66 4.69 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 0.94 0.00 0.00 1.06 0.00 0.00 45 Y 9.11 5.15 0.00 3.09 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 46 Y 9.19 4.81 0.00 1.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.94 4.57 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 0.53 0.00 0.00 0.73 0.00 0.00 48 S 7.67 3.29 0.00 3.23 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 49 E 8.11 3.93 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 50 K 7.89 4.04 0.00 1.61 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 51 I 7.08 3.74 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.81 0.00 0.00 *53 K 8.06 4.23 0.00 1.78 2.01 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.44 7.81 54 L 7.57 4.69 0.00 1.81 1.56 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.79 4.27 1.23 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 0.00 0.00 0.00 56 A 8.61 3.89 1.39 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 57 N 7.70 4.83 0.00 2.86 2.83 0.00 0.00 6.74 7.22 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 58 I 6.91 4.58 1.83 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 1.32 0.53 0.91 0.00 0.00 59 S 8.63 4.09 0.00 3.96 3.96 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 60 G 8.48 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 0.00 0.00 0.00 0.00 61 D 8.00 4.22 0.00 2.67 2.69 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 62 K 7.68 4.10 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 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0.00 0.00 0.00 71 G 7.03 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 0.00 0.00 0.00 72 K 6.92 4.89 0.00 1.84 1.66 0.00 1.31 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.29 7.81 73 F 8.85 5.15 0.00 3.17 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 74 T 8.68 4.29 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 1.22 0.00 0.00 75 K 8.46 4.01 0.00 1.76 1.90 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.44 7.81 76 T 7.97 4.26 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 1.24 0.00 0.00 77 H 7.66 4.06 0.00 3.31 3.26 0.00 5.75 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.15 4.85 0.00 1.90 1.62 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 79 F 8.77 4.68 0.00 2.88 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0.00 2.09 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 2.30 2.34 0.00 105 Q 8.06 3.74 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 106 S 8.02 4.29 0.00 4.03 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 0.00 107 F 8.49 4.49 0.00 3.24 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 0.00 108 L 8.04 4.21 0.00 1.40 1.46 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.16 4.85 0.00 3.10 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 0.00 110 G 7.99 3.37 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 0.00 111 N 8.20 4.87 0.00 2.79 2.67 0.00 0.00 6.75 7.85 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 0.00 112 H 8.30 4.92 0.00 3.29 3.53 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.70 4.24 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 0.98 0.00 0.00 0.86 0.00 0.00 114 L 8.29 4.99 0.00 1.70 1.69 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 K 9.01 3.76 0.00 1.77 1.97 0.00 1.51 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.44 7.81 116 S 8.02 4.18 0.00 4.04 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 0.00 117 G 8.24 3.82 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 0.00 0.00 0.00 118 L 7.76 4.40 0.00 1.61 1.76 0.94 0.91 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 0.00 119 G 8.94 3.92 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 0.00 0.00 0.00 120 R 7.66 4.73 0.00 1.80 1.74 0.00 2.69 0.00 0.00 2.32 7.21 0.00 0.00 0.00 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0.00 0.00 0.00 129 Q 7.62 4.02 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 1.77 2.28 0.00 130 G 8.31 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 0.00 0.00 0.00 0.00 131 V 9.33 5.06 2.17 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 0.89 0.00 0.00 1.01 0.00 0.00 132 V 8.26 4.58 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 0.29 0.00 0.00 1.06 0.00 0.00 133 V 8.53 4.21 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 0.21 0.00 0.00 0.60 0.00 0.00 134 Y 8.85 5.09 0.00 2.32 2.72 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 0.00 0.00 0.00 135 S 8.93 4.40 0.00 4.25 3.34 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 *137 A 9.01 4.13 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 0.00 138 D 8.36 4.72 0.00 2.89 2.83 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 0.00 139 I 7.32 4.62 1.87 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 1.33 0.65 0.94 0.00 0.00 140 P 0.00 3.91 0.00 1.79 1.55 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 141 L 9.19 4.51 0.00 1.70 1.83 0.91 0.94 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 0.00 142 G 6.49 3.61 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 0.00 143 F 8.28 5.39 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 9.82 4.84 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 0.00 0.00 0.00 145 V 8.80 5.07 2.42 0.00 0.00 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 1.09 0.00 0.00 146 A 8.80 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.64 4.12 0.67 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 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.57 4.47 0.00 1.58 1.60 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.37 7.81 149 S 8.06 4.45 0.00 4.05 3.88 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 0.00 150 T 8.28 3.75 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 1.30 0.00 0.00 151 Q 7.89 4.07 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 152 D 7.96 4.41 0.00 2.79 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 0.00 153 C 8.09 4.13 0.00 3.09 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 0.00 154 R 7.44 4.03 0.00 1.92 1.98 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 155 K 7.91 4.12 0.00 1.68 1.81 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 156 V 6.93 4.06 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 0.79 0.00 0.00 0.91 0.00 0.00 157 D 8.43 4.59 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 0.00 158 P 0.00 4.12 0.00 2.13 2.35 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 *160 A 8.15 4.36 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 0.00 161 I 8.16 4.36 1.67 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 0.95 0.45 0.36 0.00 0.00 162 V 8.65 4.22 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 0.66 0.00 0.00 0.93 0.00 0.00 163 V 7.10 4.59 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 1.03 0.00 0.00 0.85 0.00 0.00 164 F 9.34 4.99 0.00 3.13 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 0.00 165 H 9.22 4.91 0.00 3.40 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.66 4.63 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 167 A 7.46 4.69 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 0.00 168 D 8.31 5.21 0.00 2.30 1.81 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 0.00 169 I 8.51 3.87 1.80 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 1.30 0.54 0.83 0.00 0.00 170 G 8.64 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 * Residues marked with a * may have inaccurate shift predictions.