NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.8962 8.3544 109.7371 45.0370 0.0000 173.6005 -2 S 4.8633 7.5960 114.1777 56.3095 63.2772 171.2151 -1 N 4.8015 10.1387 124.6854 53.1030 40.0652 175.2305 -2 M 4.8733 7.5660 118.0777 53.4095 32.3772 172.9151 -1 K 4.3815 10.0287 126.3855 56.2030 34.2652 176.6305 3 A 5.0625 9.1115 123.8113 50.9350 23.1831 175.4514 4 V 5.1091 8.9563 118.1107 60.4950 35.8953 174.3168 5 C 5.0016 9.4342 122.4395 58.2407 34.7693 172.7303 6 V 4.5000 8.5304 127.2327 62.2099 32.7929 174.1600 7 M 5.1242 9.1948 128.5098 53.9397 34.6921 175.2722 8 T 4.9926 8.3800 112.3657 60.5538 73.3233 172.5197 9 G 4.2416 7.6812 106.6564 46.4526 0.0000 174.1657 10 T 4.4832 8.8226 114.2166 61.4968 68.9901 174.1195 11 A 4.4678 8.1261 121.9116 52.2524 19.2590 178.4181 12 G 3.9078 8.2104 104.9645 45.9253 0.0000 173.2592 13 V 4.5822 7.4114 118.7371 60.8879 33.5416 174.6986 14 K 4.8868 8.1713 124.5666 56.2822 36.5922 174.8731 15 G 3.9396 8.6765 107.5151 46.2067 0.0000 172.1041 16 V 4.8745 7.6861 118.7747 61.0804 35.1830 174.1319 17 V 4.6566 8.9673 127.6393 60.9086 34.4572 174.1455 18 K 5.0922 8.8776 126.7755 54.5768 35.4228 175.0291 19 F 5.6508 9.7128 123.4476 55.8725 42.6914 174.3399 20 T 5.7590 8.9779 112.3692 60.1847 72.1477 172.8134 21 Q 4.8390 8.4948 125.2973 54.9760 31.0414 174.2719 22 E 4.2792 9.1703 126.9054 58.0832 30.0718 176.9136 23 T 4.7022 7.3349 107.6803 59.7548 71.8154 174.3348 24 D 4.7985 8.0040 122.1253 57.0284 42.0639 178.6486 25 N 5.0091 7.7881 115.8422 52.1622 37.7309 174.3600 26 G 4.0408 8.2141 107.7313 43.8814 0.0000 172.0093 27 P 4.5377 0.0000 0.0000 63.0295 32.1447 175.8717 28 V 4.5008 8.7732 121.9128 61.7430 33.7082 174.1340 29 H 5.1410 9.4179 126.2790 55.0019 30.1525 174.3012 30 V 4.8227 9.5059 124.8035 61.3189 34.1642 173.8324 31 H 5.5035 8.9036 126.4754 54.5027 33.2117 171.8115 32 A 4.9537 9.1710 126.1168 50.4014 23.2145 174.5833 33 E 5.0027 8.1949 118.4529 54.7305 34.0545 174.8941 34 F 5.4940 9.0486 121.5314 55.9765 43.9921 173.7377 35 S 4.7944 8.9254 113.6855 57.9535 66.5012 174.9365 36 G 4.0058 8.9700 108.8451 46.9074 0.0000 173.1885 37 L 4.4481 7.8344 119.4382 52.8353 43.0638 176.6426 38 K 4.3583 8.3023 120.4041 55.6651 32.8325 177.1219 39 A 4.2347 8.3972 124.7880 53.6268 19.0699 176.1651 40 G 3.7232 8.2257 106.4468 43.9270 0.0000 172.8299 41 K 4.9178 8.2847 118.0056 55.9948 33.7122 176.4889 42 H 4.9988 9.0756 119.8635 53.6371 33.0742 173.2591 43 G 4.0119 8.8815 110.8412 46.6144 0.0000 172.2874 44 F 5.3166 8.9683 126.0123 56.8785 42.2860 173.0525 45 H 4.8952 8.7621 122.4027 54.1138 34.1029 172.5039 46 V 4.4882 8.5791 120.3068 62.3461 32.9759 174.5479 47 H 5.2507 9.3649 125.1895 54.0764 31.1432 174.9946 48 E 3.6920 8.9328 123.6545 59.4518 29.3668 177.2141 49 F 4.8472 7.7213 116.6696 55.5664 40.7191 175.6694 50 G 4.3174 8.6097 109.8225 44.8037 0.0000 173.1165 51 D 4.6743 8.2052 120.7655 52.8267 41.4214 175.8077 52 T 4.4160 8.2591 116.8036 61.5752 69.9259 174.9726 53 T 4.0998 7.4983 112.8182 63.1449 69.4817 172.9452 54 N 4.0689 8.9524 116.6963 55.4001 35.8366 174.5314 55 G 3.8173 8.9601 100.9844 47.2558 0.0000 174.9300 56 C 4.0796 8.3110 111.9019 57.6728 39.1347 175.5064 57 T 4.1458 7.8332 108.9198 62.8053 69.0593 175.3372 58 S 4.6567 7.8442 117.2768 58.4208 63.8871 175.0397 59 A 4.4639 7.7802 122.9376 52.7742 18.3797 179.3489 60 G 4.0940 7.6488 103.4250 44.4377 0.0000 172.5502 61 A 4.4952 8.0719 120.6370 50.8825 21.0372 176.7662 62 H 4.4310 8.3899 115.3930 55.8293 29.6494 175.8348 63 F 4.2116 9.3129 125.5489 58.6791 40.1455 174.4029 64 N 5.1275 8.0406 125.1029 51.3227 38.8688 172.5967 65 P 4.0440 0.0000 0.0000 64.8967 32.1657 178.2070 66 T 4.1465 7.5982 107.2091 60.4208 69.3864 174.8027 67 K 3.6753 7.0973 120.3941 58.3285 29.8846 172.5461 68 Q 4.6374 8.2759 116.4825 53.9395 31.8784 175.4800 69 E 4.5152 8.1553 118.1688 55.5607 31.6622 175.6295 70 H 4.0784 8.6923 122.0178 56.7098 30.4848 174.7277 71 G 4.3066 8.2349 110.0072 45.0421 0.0000 171.7610 72 A 4.6045 8.6821 121.6551 50.3052 20.0150 176.6617 73 P 4.2386 0.0000 0.0000 65.5418 31.4185 177.6396 74 E 4.3085 7.9884 113.0349 56.9681 30.3736 176.3672 75 D 4.5801 7.8249 120.3116 54.1525 41.5067 176.6683 76 S 4.1745 8.6248 116.5188 60.7668 63.2173 174.5360 77 I 4.3520 7.4349 123.1837 59.6878 37.5563 174.6998 78 R 4.4595 7.7281 119.3520 56.3393 31.8083 174.0912 79 H 4.7082 8.9960 116.5616 55.1613 29.4960 177.2085 80 V 3.5159 8.2282 122.1756 66.0492 31.5334 177.3472 81 G 3.7951 8.2924 106.8207 46.3017 0.0000 172.6609 82 D 4.8635 7.8743 121.0959 54.3164 40.4720 175.9189 83 L 4.8126 8.1869 124.1644 54.1908 43.4178 178.6184 84 G 4.0773 8.0956 108.1901 46.7883 0.0000 173.8662 85 N 5.6978 8.8363 120.7087 51.3297 42.0914 173.4424 86 V 4.4242 8.8696 122.5517 61.5359 33.7557 174.5567 87 V 4.7684 8.4832 126.9507 61.2977 33.1069 174.3340 88 A 4.8322 9.0907 130.7120 50.5013 21.3893 177.4701 89 G 4.0927 8.8443 111.4189 44.3194 0.0000 174.1991 90 A 4.0416 8.4656 121.2702 54.9140 18.3517 178.3677 91 D 4.4788 8.0356 113.0320 53.8209 40.0031 177.4243 92 G 4.4372 8.3385 109.5284 45.5614 0.0000 173.2210 93 N 5.3479 8.0033 116.7132 52.8894 40.7630 173.9667 94 A 5.0025 8.5537 120.7277 50.9621 23.2074 175.5219 95 V 4.8990 8.3980 119.9007 61.2317 34.7589 174.1472 96 Y 4.8458 9.1720 128.1537 55.9731 42.1616 173.6338 97 N 5.6327 7.9788 121.9966 51.7797 42.6475 173.4001 98 A 4.4448 8.8048 122.2186 51.5236 23.4945 175.0455 99 T 5.0646 8.6098 116.1755 61.8116 71.1195 173.2346 100 D 5.0728 9.1706 125.8779 52.5847 44.2559 176.3312 101 K 4.4756 8.8790 122.3701 56.6173 33.4460 177.4807 102 L 4.3593 8.1726 118.7746 56.8097 42.3045 177.4538 103 I 4.0630 7.8369 110.3047 61.1998 38.2673 174.5911 104 S 4.5702 8.4161 114.4081 57.8699 65.4320 174.3991 105 L 4.6949 8.8715 121.7459 54.4210 41.7025 176.0635 106 N 4.8801 8.0630 115.5513 52.6407 43.2445 175.7750 107 G 3.9433 8.5590 108.4222 44.9153 0.0000 174.2327 108 S 4.2297 8.6984 112.1223 61.3516 63.2090 174.5217 109 H 5.0293 8.1965 116.9373 55.4879 28.6439 174.4612 110 S 4.4369 7.9636 115.8202 58.6369 62.6434 174.0365 111 I 3.8039 8.2767 119.8948 60.3522 38.0360 175.5987 112 I 3.7697 6.9342 123.5827 63.0563 37.4660 176.4725 113 G 3.8614 9.3277 113.5117 45.4406 0.0000 172.8900 114 R 5.1273 7.5554 119.5592 54.4479 33.6968 174.8670 115 S 5.3255 8.2324 113.7352 57.6944 66.7884 173.3026 116 M 4.9858 8.8281 122.3809 53.7643 34.5437 175.2753 117 V 4.9074 8.7364 122.4356 61.1210 35.4923 173.6405 118 I 4.8846 8.7252 128.1167 59.7484 40.0061 174.5216 119 H 5.2975 9.2397 127.1422 54.5031 30.3158 175.2199 120 E 4.1290 9.3091 121.6652 59.3450 29.9824 176.4151 121 N 5.0988 8.5907 116.2537 50.9863 42.0819 173.7447 122 E 4.5842 8.4646 117.6676 56.1255 31.0650 176.0430 123 D 4.8150 9.6624 122.9578 53.6469 41.1473 175.8259 124 D 4.5379 9.4873 125.2597 53.4379 39.5176 177.0162 125 L 3.6372 10.0840 119.2131 55.9158 39.6456 176.2238 126 G 4.5385 8.7436 105.9440 46.1224 0.0000 174.7877 127 R 4.4369 7.8022 117.3728 55.8582 30.4814 177.2593 128 G 4.0258 7.4584 108.6935 43.5658 0.0000 172.9401 129 G 3.5000 8.3315 104.8734 48.6146 0.0000 176.4313 130 H 5.0200 7.9390 117.9532 54.4396 30.7453 175.8344 131 E 3.9454 9.2290 123.0833 60.6377 29.6825 179.4824 132 L 3.9888 7.9609 117.9159 57.5459 41.5430 179.1255 133 S 4.1141 7.9042 112.9678 61.2278 62.1889 175.5231 134 K 4.4456 7.6975 118.7427 56.3283 31.6078 177.7837 135 V 4.0815 7.4586 118.3705 64.0963 33.1908 176.1862 136 T 4.1485 8.2550 106.4731 60.0791 69.9525 175.1106 137 G 3.8258 8.2073 110.2639 45.4041 0.0000 173.2330 138 N 4.2161 7.9113 115.7167 54.2856 37.9436 175.8356 139 A 4.1105 7.5967 120.0247 52.7110 19.1731 179.7957 140 G 3.6164 7.3622 104.0154 44.4896 0.0000 173.5609 141 G 3.8402 8.3284 106.6793 46.8836 0.0000 173.6514 142 R 4.6332 8.3872 120.1537 54.6559 29.6857 176.4330 143 L 4.2577 8.4619 124.8657 57.4634 42.2866 177.8056 144 A 4.9760 7.7049 118.1575 51.0686 22.7780 174.0793 145 C 5.8543 8.4486 114.2109 54.5918 47.1698 172.7858 146 G 4.5842 8.2319 103.7983 46.1933 0.0000 172.4832 147 V 4.4983 8.3177 121.2510 62.0451 32.8824 175.5499 148 V 4.1127 9.0216 128.5097 62.3953 32.4225 175.0622 149 G 4.5238 8.9706 115.3778 43.9822 0.0000 172.1652 150 L 4.5836 8.5006 120.8349 54.5320 42.2636 176.4090 151 A 4.9435 8.4101 123.5092 49.4326 22.2427 175.8774 152 A 4.1101 8.6337 122.1383 52.5344 19.1217 177.8983 153 E 4.2653 8.4247 117.8119 56.5728 29.8413 175.3940 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -3 G 8.35 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 -2 S 7.60 4.86 0.00 3.95 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 -1 N 10.14 4.80 0.00 2.94 2.73 0.00 0.00 6.94 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 -2 M 7.57 4.87 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 -1 K 10.03 4.38 0.00 1.95 1.73 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 A 9.11 5.06 1.18 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 4 V 8.96 5.11 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 0.88 0.00 0.00 1.02 0.00 0.00 5 C 9.43 5.00 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.53 4.50 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 0.93 0.00 0.00 0.94 0.00 0.00 7 M 9.19 5.12 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 8 T 8.38 4.99 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 1.23 0.00 0.00 9 G 7.68 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 0.00 0.00 0.00 0.00 10 T 8.82 4.48 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 11 A 8.13 4.47 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 12 G 8.21 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 13 V 7.41 4.58 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 0.85 0.00 0.00 0.94 0.00 0.00 14 K 8.17 4.89 0.00 1.89 1.86 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 15 G 8.68 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 0.00 0.00 0.00 0.00 16 V 7.69 4.87 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 0.86 0.00 0.00 0.85 0.00 0.00 17 V 8.97 4.66 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 0.50 0.00 0.00 1.04 0.00 0.00 18 K 8.88 5.09 0.00 1.63 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.34 7.81 19 F 9.71 5.65 0.00 2.92 2.94 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 0.00 20 T 8.98 5.76 4.32 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 1.27 0.00 0.00 21 Q 8.49 4.84 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.14 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 22 E 9.17 4.28 0.00 2.04 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 2.35 2.36 0.00 23 T 7.33 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 D 8.00 4.80 0.00 2.65 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 25 N 7.79 5.01 0.00 2.80 2.81 0.00 0.00 5.96 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.21 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.54 0.00 2.02 2.07 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 28 V 8.77 4.50 2.18 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 1.30 0.00 0.00 1.00 0.00 0.00 29 H 9.42 5.14 0.00 3.13 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.51 4.82 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.21 0.00 0.00 31 H 8.90 5.50 0.00 3.25 3.04 0.00 5.79 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 32 A 9.17 4.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.19 5.00 0.00 1.68 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 2.11 2.07 0.00 34 F 9.05 5.49 0.00 2.84 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 35 S 8.93 4.79 0.00 3.88 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 36 G 8.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.83 4.45 0.00 1.78 1.39 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.30 4.36 0.00 1.81 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 39 A 8.40 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.23 3.72 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 0.00 0.00 0.00 41 K 8.28 4.92 0.00 1.63 1.74 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 42 H 9.08 5.00 0.00 2.87 3.14 0.00 5.62 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 43 G 8.88 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.97 5.32 0.00 2.78 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 45 H 8.76 4.90 0.00 3.02 3.17 0.00 5.85 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.58 4.49 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 0.84 0.00 0.00 0.87 0.00 0.00 47 H 9.36 5.25 0.00 3.09 3.46 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.93 3.69 0.00 1.73 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.96 0.00 49 F 7.72 4.85 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.61 4.32 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 0.00 0.00 0.00 51 D 8.21 4.67 0.00 2.66 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 52 T 8.26 4.42 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 1.23 0.00 0.00 53 T 7.50 4.10 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 1.21 0.00 0.00 54 N 8.95 4.07 0.00 2.98 2.97 0.00 0.00 6.89 7.61 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 55 G 8.96 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 56 C 8.31 4.08 0.00 3.19 3.18 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 57 T 7.83 4.15 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 1.33 0.00 0.00 58 S 7.84 4.66 0.00 3.99 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 59 A 7.78 4.46 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.65 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 61 A 8.07 4.50 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.39 4.43 0.00 2.82 3.16 0.00 5.73 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 63 F 9.31 4.21 0.00 2.88 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 64 N 8.04 5.13 0.00 2.55 2.40 0.00 0.00 6.93 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 65 P 0.00 4.04 0.00 1.97 1.71 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.00 66 T 7.60 4.15 4.19 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 1.13 0.00 0.00 67 K 7.10 3.68 0.00 1.76 1.80 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.32 7.81 68 Q 8.28 4.64 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 69 E 8.16 4.52 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 70 H 8.69 4.08 0.00 3.16 3.25 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.23 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 72 A 8.68 4.60 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 73 P 0.00 4.24 0.00 2.11 2.24 0.00 3.72 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 2.15 2.33 0.00 74 E 7.99 4.31 0.00 2.08 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 2.24 2.27 0.00 75 D 7.82 4.58 0.00 2.82 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 76 S 8.62 4.17 0.00 3.97 3.99 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 77 I 7.43 4.35 1.84 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 1.58 0.95 0.90 0.00 0.00 78 R 7.73 4.46 0.00 1.79 1.79 0.00 2.89 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 79 H 9.00 4.71 0.00 3.50 3.36 0.00 5.64 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 80 V 8.23 3.52 1.64 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 0.82 0.00 0.00 0.53 0.00 0.00 81 G 8.29 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 0.00 0.00 0.00 82 D 7.87 4.86 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.19 4.81 0.00 1.61 1.79 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.10 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 85 N 8.84 5.70 0.00 2.65 2.74 0.00 0.00 6.60 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 86 V 8.87 4.42 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.18 0.00 0.00 87 V 8.48 4.77 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 0.86 0.00 0.00 0.97 0.00 0.00 88 A 9.09 4.83 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 89 G 8.84 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 90 A 8.47 4.04 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 91 D 8.04 4.48 0.00 2.80 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 92 G 8.34 4.44 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 0.00 93 N 8.00 5.35 0.00 3.03 2.75 0.00 0.00 6.55 7.02 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 94 A 8.55 5.00 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 95 V 8.40 4.90 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 0.83 0.00 0.00 0.94 0.00 0.00 96 Y 9.17 4.85 0.00 2.92 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 97 N 7.98 5.63 0.00 2.49 2.60 0.00 0.00 6.82 7.35 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 98 A 8.80 4.44 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 0.00 0.00 0.00 0.00 0.00 99 T 8.61 5.06 4.28 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 1.22 0.00 0.00 100 D 9.17 5.07 0.00 2.86 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 0.00 0.00 0.00 0.00 101 K 8.88 4.48 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.45 7.81 102 L 8.17 4.36 0.00 1.84 1.73 0.91 0.88 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 0.00 103 I 7.84 4.06 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.06 0.00 0.00 104 S 8.42 4.57 0.00 3.83 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 0.00 105 L 8.87 4.69 0.00 1.74 1.62 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.06 4.88 0.00 2.79 2.66 0.00 0.00 6.89 7.23 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 0.00 107 G 8.56 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 0.00 0.00 0.00 0.00 108 S 8.70 4.23 0.00 4.07 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 0.00 109 H 8.20 5.03 0.00 3.25 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.96 4.44 0.00 3.94 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 0.00 111 I 8.28 3.80 1.56 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.77 0.00 0.00 112 I 6.93 3.77 1.79 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 1.13 0.75 0.86 0.00 0.00 113 G 9.33 3.86 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 0.00 114 R 7.56 5.13 0.00 1.64 1.86 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.00 115 S 8.23 5.33 0.00 3.81 3.72 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 0.00 116 M 8.83 4.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.73 0.00 117 V 8.74 4.91 1.89 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 0.75 0.00 0.00 0.74 0.00 0.00 118 I 8.73 4.88 1.56 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.06 0.83 0.00 0.00 119 H 9.24 5.30 0.00 3.16 3.48 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.31 4.13 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 121 N 8.59 5.10 0.00 2.69 2.70 0.00 0.00 6.86 7.38 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 0.00 122 E 8.46 4.58 0.00 2.09 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 2.25 2.30 0.00 123 D 9.66 4.81 0.00 2.80 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 0.00 124 D 9.49 4.54 0.00 2.90 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 0.00 125 L 10.08 3.64 0.00 1.87 1.79 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.74 4.54 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 0.00 127 R 7.80 4.44 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 128 G 7.46 4.03 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 0.00 0.00 0.00 129 G 8.33 3.50 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 0.00 0.00 0.00 130 H 7.94 5.02 0.00 3.17 3.00 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 9.23 3.95 0.00 2.00 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 2.38 2.36 0.00 132 L 7.96 3.99 0.00 1.81 1.72 0.96 0.77 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 0.00 133 S 7.90 4.11 0.00 3.88 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 0.00 134 K 7.70 4.45 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.58 7.81 135 V 7.46 4.08 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 0.80 0.00 0.00 0.95 0.00 0.00 136 T 8.26 4.15 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 1.11 0.00 0.00 137 G 8.21 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 0.00 0.00 0.00 138 N 7.91 4.22 0.00 3.10 2.84 0.00 0.00 7.09 8.62 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 0.00 139 A 7.60 4.11 1.24 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 0.00 0.00 140 G 7.36 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 0.00 0.00 0.00 141 G 8.33 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 0.00 0.00 0.00 142 R 8.39 4.63 0.00 1.70 1.87 0.00 3.35 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 1.59 1.70 0.00 143 L 8.46 4.26 0.00 1.61 1.69 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.70 4.98 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 0.00 145 C 8.45 5.85 0.00 3.06 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 0.00 146 G 8.23 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.32 4.50 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 0.81 0.00 0.00 1.03 0.00 0.00 148 V 9.02 4.11 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 0.67 0.00 0.00 0.87 0.00 0.00 149 G 8.97 4.52 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 0.00 150 L 8.50 4.58 0.00 1.54 1.62 0.91 0.75 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 0.00 151 A 8.41 4.94 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 0.00 152 A 8.63 4.11 1.26 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 0.00 153 E 8.42 4.27 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 2.17 2.29 0.00