NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3027 8.2644 123.5811 52.3523 19.3071 175.7288 3 R 4.0052 7.8228 121.9083 57.0895 31.0894 175.6137 4 R 3.9182 7.5187 116.2473 56.9043 31.0185 176.0784 5 R 4.6181 7.7254 116.4121 53.8878 33.1559 175.9355 6 R 3.8076 8.5447 118.8309 56.2667 29.9373 176.0212 7 A 4.0599 8.4946 128.5505 52.3597 19.0532 176.2457 8 E 4.3370 8.3921 119.3070 55.5221 30.5310 178.3979 9 V 3.7721 8.2504 123.5487 61.4736 29.5754 172.7800 10 R 3.7428 7.9954 121.4821 55.4258 29.8667 175.7893 11 Q 4.1543 8.5838 125.3029 55.8161 29.4081 175.9664 12 L 4.6935 8.1663 121.8994 53.0766 43.9626 175.9957 13 Q 4.3417 8.2967 119.9246 54.2473 29.6586 174.6151 14 P 4.5519 0.0000 0.0000 62.5336 32.0643 175.4889 15 D 4.5578 8.7908 119.8904 54.1496 41.7483 177.4006 16 L 4.0185 8.8003 126.6115 57.7609 41.8621 178.5151 17 V 3.8099 8.1029 116.2390 64.1413 31.8316 175.7082 18 Y 4.5082 9.4752 115.1742 56.2097 39.7608 175.7728 19 G 3.9452 9.0395 107.7461 46.4253 0.0000 172.7933 20 D 5.0637 7.9962 117.7767 52.1592 43.7801 177.1939 21 V 3.7921 8.2533 117.9954 63.7026 31.7779 178.6292 22 L 4.0220 8.1294 119.9674 57.9908 41.9422 178.9012 23 V 3.0632 7.8085 117.6674 66.1616 31.3726 177.6570 24 T 3.7350 7.9225 114.5710 66.6914 68.3230 175.6695 25 A 4.1276 7.9362 122.3622 55.6225 18.0894 179.4849 26 F 4.1115 8.5277 118.9054 61.4509 39.3315 177.4253 27 I 3.4077 8.0315 119.9024 64.2358 36.6295 178.0703 28 N 4.2397 8.4897 117.3269 56.3359 38.4395 177.3828 29 K 4.0225 7.7055 118.7423 59.1580 32.0754 179.2612 30 I 3.7029 6.7862 119.4708 63.2399 37.5350 176.6793 31 M 4.0866 7.4434 118.7262 55.7302 32.4042 175.4943 32 R 4.5615 7.8197 120.2218 55.7190 32.6244 174.7393 33 D 4.7815 9.2734 118.2848 54.8777 38.6460 174.2198 34 G 3.9987 8.0996 104.1267 47.3656 0.0000 176.1581 35 K 4.5279 7.2278 117.1399 53.7846 32.4146 177.5944 36 K 3.9892 7.9896 123.0809 59.7735 32.4237 176.0960 37 N 4.4888 8.3323 117.8264 55.4838 38.8005 175.7404 38 L 3.6094 8.0461 121.7129 58.4078 42.3962 179.4719 39 A 3.8806 7.9087 120.1869 54.9440 18.2172 179.1264 40 A 3.8563 8.5452 119.0369 56.2420 18.7817 179.1877 41 R 3.9192 9.2473 116.0661 59.2164 29.9697 179.4153 42 I 3.6265 8.0850 119.0926 64.4887 37.5261 177.8119 43 F 4.1496 8.0184 120.9548 61.6642 39.1326 176.7548 44 Y 4.1298 7.8363 116.1529 61.2777 37.7142 178.2825 45 D 4.3649 8.2584 119.0632 57.3186 40.9261 178.6040 46 A 3.9672 7.8224 121.3556 55.2902 18.1077 179.5193 47 C 3.9428 7.3437 114.3849 62.8275 28.5721 176.2220 48 K 4.1351 8.2013 120.1663 59.3601 31.2550 179.4371 49 I 3.8968 7.7697 120.2152 63.8814 36.8579 177.5714 50 I 4.0827 7.4222 117.9119 62.5253 37.1547 177.0288 51 Q 4.5370 7.5686 119.3042 57.9064 29.3114 177.3047 52 E 4.1411 8.0374 118.7602 58.2700 29.8203 177.8736 53 K 4.6180 7.8779 115.3945 55.8410 34.7355 176.2521 54 T 4.6240 7.9925 115.7087 61.6925 71.7750 174.5468 55 G 3.9867 8.8653 113.2620 46.1216 0.0000 173.0573 56 Q 4.6565 7.3416 118.6851 53.5801 31.0358 175.4202 57 E 4.1845 8.5337 120.4978 55.5788 30.4872 175.7106 58 P 4.2001 0.0000 0.0000 66.4807 30.9245 178.0353 59 L 3.9644 8.1516 120.1453 57.5423 41.8478 179.0022 60 K 3.9596 8.1270 118.0937 59.4883 31.9993 179.1988 61 V 3.5395 7.7555 117.7937 66.4282 31.5360 176.9353 62 F 3.9764 8.7478 119.8763 61.6656 39.0780 177.0108 63 K 3.5379 8.5579 117.3837 59.9310 31.9304 179.0780 64 Q 3.9271 7.7572 117.3825 58.8435 29.1002 177.9344 65 A 4.1302 8.1321 122.4143 55.0205 18.4690 179.5647 66 V 3.3221 7.3221 116.6225 66.3051 31.3769 177.6168 67 E 3.8548 7.7081 117.4417 59.4883 29.3022 178.1300 68 N 4.6050 7.6422 114.8454 55.0496 39.0064 176.5585 69 V 4.2059 7.5367 117.1835 61.9527 31.7526 175.4843 70 K 4.3827 7.5210 117.9522 55.2808 32.4993 174.6093 71 P 4.8563 0.0000 0.0000 62.6129 32.1658 176.1312 72 R 4.5934 8.7042 117.2856 56.6110 30.4653 175.9525 73 M 5.1700 7.7834 118.6657 54.3091 36.1916 173.6689 74 E 4.7933 9.1149 119.5649 55.1779 33.8731 173.8354 75 V 4.7168 8.3112 120.1600 61.9249 33.2915 175.2775 76 R 4.8423 8.8048 125.1261 54.5204 34.2637 175.2955 77 S 4.9070 8.9958 119.1890 58.3661 64.2542 174.0884 78 R 4.3197 8.1451 115.6665 55.6575 31.7079 174.1045 79 R 3.8288 8.6113 126.0539 56.3092 30.7285 178.2691 80 V 4.2134 7.6598 119.4290 60.8807 33.7983 174.0784 81 G 3.9366 7.9386 114.8915 45.9142 0.0000 173.5002 82 G 4.0805 7.8406 108.4808 45.4867 0.0000 172.8307 83 A 4.5704 8.0549 122.6393 49.8998 20.9178 175.7010 84 N 4.8237 8.4650 121.0335 52.2338 38.3788 174.5784 85 Y 4.6895 8.0675 121.4407 57.0640 40.2380 175.3009 86 Q 4.5849 8.9214 121.9302 55.5432 28.6944 174.8077 87 V 4.1479 8.9124 125.3800 61.4249 32.8508 172.9109 88 P 5.2215 0.0000 0.0000 62.5320 32.4731 175.1641 89 M 4.8084 8.9603 120.5237 53.2410 35.2553 174.1209 90 E 4.5364 8.6829 118.4989 56.7066 30.5907 176.7307 91 V 4.4125 8.0520 122.1470 60.8070 33.2134 175.7447 92 S 4.2943 8.6897 123.1895 57.3673 63.9354 173.0434 93 P 4.2529 0.0000 0.0000 66.4483 30.5775 178.2773 94 R 3.8114 8.0101 117.7819 59.4209 29.8452 178.3073 95 R 3.8511 7.5954 116.7620 59.1642 29.7392 177.8616 96 Q 3.6753 8.7434 120.6270 59.2764 28.9005 178.5389 97 Q 3.9028 8.4359 120.6547 58.9910 29.2138 177.8488 98 S 4.0218 7.8079 116.1435 61.7586 62.8417 176.7805 99 L 3.1612 8.2792 122.0194 57.4842 41.1471 179.1793 100 A 4.0820 7.3554 120.2447 55.0663 18.3450 179.3329 101 L 4.0961 7.9885 116.4962 58.0428 41.9277 179.7132 102 R 3.8559 7.8863 118.2303 59.5319 29.9303 178.4179 103 W 4.5576 8.2931 118.7472 60.0310 28.9687 178.0258 104 L 4.1103 8.7141 119.2222 58.2977 41.2984 179.6858 105 V 3.6665 8.2365 117.7776 66.2962 31.1369 178.2725 106 Q 3.9885 8.0422 116.9075 58.7477 28.9049 177.8508 107 A 4.1533 8.6279 121.7303 55.3531 18.4756 179.1675 108 A 4.0296 8.3823 119.5033 55.7413 18.2640 179.0665 109 N 4.6605 7.8898 110.6362 54.5843 38.8097 176.6101 110 Q 4.3049 8.1716 119.8801 56.3343 29.5161 176.3732 111 R 4.1443 6.9654 118.3719 55.7472 30.7455 174.9242 112 P 4.4312 0.0000 0.0000 64.9986 31.9852 177.1060 113 E 3.9875 8.2230 116.1933 56.5907 29.6607 177.1192 114 R 4.0156 8.7201 122.0697 59.1006 30.7829 177.9944 115 R 4.1242 7.8329 117.4008 55.6240 31.8468 176.0953 116 A 3.9457 8.7270 128.1317 55.7101 18.3790 179.7092 117 A 3.9975 8.0280 117.9551 55.1300 18.3144 179.8735 118 V 3.3726 7.6866 116.3022 66.3109 31.8923 177.9556 119 R 3.9045 7.8337 117.4560 59.7772 29.8859 179.1197 120 I 3.9291 7.9223 118.9929 64.1134 37.0828 178.3988 121 A 3.9945 8.3371 121.9713 55.6599 18.2293 179.4632 122 H 3.9862 8.8927 115.2027 58.9002 28.6475 177.7954 123 E 3.9995 8.2685 120.9978 59.1831 29.5273 178.7322 124 L 4.0377 8.3861 119.4636 58.5406 41.7077 178.8571 125 M 4.0445 8.9036 119.3772 58.5646 31.8095 178.3013 126 D 4.4534 8.9210 119.4701 57.2863 41.1252 179.1068 127 A 3.9597 8.1296 121.4642 55.2416 18.2585 179.5120 128 A 3.9780 7.8362 118.0009 55.2378 18.4969 179.3131 129 E 4.0928 7.9269 116.7166 58.5699 29.5632 178.2545 130 G 4.1148 7.9462 105.2583 44.8919 0.0000 172.6837 131 K 4.6252 8.2807 119.1398 54.6601 35.6368 176.3983 132 G 4.0452 8.8259 103.1334 46.1233 0.0000 174.4369 133 G 3.8156 8.8571 107.1798 48.3102 0.0000 175.2830 134 A 3.9738 8.2884 122.5644 54.8647 18.4070 179.5884 135 V 3.5666 7.8288 115.4447 65.9209 31.4504 178.0100 136 K 3.7985 7.8472 119.4592 59.0758 31.9452 178.4059 137 K 3.4715 7.8073 118.4517 59.4473 32.0147 178.7969 138 K 3.4714 7.2546 118.8406 59.6862 32.0257 178.5986 139 E 3.9133 7.9182 118.4792 59.4917 29.2088 178.8519 140 D 4.3372 8.0743 118.2101 57.7227 41.0816 178.7173 141 V 3.6378 7.9380 118.8912 65.8209 31.0625 177.6395 142 E 4.1493 8.4473 118.4937 59.7886 29.3128 180.0487 143 R 4.1639 7.9717 118.0961 59.1888 29.8540 178.7189 144 M 4.0212 8.3755 117.8843 58.5195 32.3618 177.4907 145 A 4.1839 7.1822 118.8184 52.8712 21.0385 174.9068 146 E 3.8349 8.9086 119.8275 57.9100 27.8870 176.5425 147 A 4.1280 7.8560 119.4741 53.9255 18.6485 177.6025 148 N 4.7806 7.7246 111.3464 51.9934 41.0898 176.1295 149 R 3.9228 8.2758 121.2287 59.5474 29.7324 178.2763 150 A 3.7981 7.6384 119.0346 55.1803 18.4463 178.1938 151 Y 4.3133 7.6410 112.5432 57.9531 37.9109 177.2013 152 A 4.0493 7.9881 124.3284 55.3103 18.3894 178.6963 153 H 4.4517 8.2337 109.0252 57.1848 28.6570 175.2487 154 Y 5.0640 7.4016 118.3589 57.4430 37.4557 176.9624 155 R 3.5733 7.7772 119.1674 56.5565 31.0589 177.2909 156 W 4.0231 8.0338 119.9603 57.1679 29.2060 174.1581 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 A 8.26 4.30 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 3 R 7.82 4.01 0.00 1.85 1.94 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 4 R 7.52 3.92 0.00 1.83 1.78 0.00 3.36 0.00 0.00 3.27 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 5 R 7.73 4.62 0.00 1.86 1.86 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 6 R 8.54 3.81 0.00 1.80 1.92 0.00 3.28 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 A 8.49 4.06 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 8 E 8.39 4.34 0.00 1.97 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 0.00 2.29 2.29 0.00 9 V 8.25 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 10 R 8.00 3.74 0.00 1.80 1.87 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 11 Q 8.58 4.15 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 L 8.17 4.69 0.00 1.60 1.58 0.91 0.95 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 13 Q 8.30 4.34 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 14 P 0.00 4.55 0.00 2.22 2.10 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 15 D 8.79 4.56 0.00 2.95 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 16 L 8.80 4.02 0.00 1.75 1.74 0.95 1.00 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 17 V 8.10 3.81 2.30 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 0.41 0.00 0.00 0.38 0.00 0.00 18 Y 9.48 4.51 0.00 2.89 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 19 G 9.04 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 20 D 8.00 5.06 0.00 2.82 2.58 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 21 V 8.25 3.79 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 0.96 0.00 0.00 22 L 8.13 4.02 0.00 1.82 2.04 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.81 3.06 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 0.53 0.00 0.00 0.78 0.00 0.00 24 T 7.92 3.74 4.37 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 1.19 0.00 0.00 25 A 7.94 4.13 1.46 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 0.00 0.00 26 F 8.53 4.11 0.00 3.33 2.93 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 27 I 8.03 3.41 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.14 0.78 0.00 0.00 28 N 8.49 4.24 0.00 2.74 2.83 0.00 0.00 7.11 7.49 0.00 0.00 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 K 7.71 4.02 0.00 1.62 1.75 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.58 7.81 30 I 6.79 3.70 1.83 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 0.98 0.04 0.82 0.00 0.00 31 M 7.44 4.09 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 32 R 7.82 4.56 0.00 1.94 1.91 0.00 3.14 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 33 D 9.27 4.78 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 34 G 8.10 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 0.00 0.00 0.00 35 K 7.23 4.53 0.00 1.76 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.60 7.81 36 K 7.99 3.99 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 37 N 8.33 4.49 0.00 2.85 2.69 0.00 0.00 6.83 6.66 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 38 L 8.05 3.61 0.00 1.80 1.69 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.91 3.88 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 40 A 8.55 3.86 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.25 3.92 0.00 2.13 1.95 0.00 3.21 0.00 0.00 3.20 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 42 I 8.08 3.63 2.03 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 1.42 0.93 0.97 0.00 0.00 43 F 8.02 4.15 0.00 2.99 2.84 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 44 Y 7.84 4.13 0.00 3.29 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 45 D 8.26 4.36 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.82 3.97 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 47 C 7.34 3.94 0.00 3.08 2.96 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 48 K 8.20 4.14 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.64 7.81 49 I 7.77 3.90 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 0.90 0.00 0.00 50 I 7.42 4.08 1.98 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 1.53 0.72 0.92 0.00 0.00 51 Q 7.57 4.54 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 52 E 8.04 4.14 0.00 1.98 2.03 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 2.36 2.51 0.00 53 K 7.88 4.62 0.00 1.87 1.81 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.50 7.81 54 T 7.99 4.62 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 1.27 0.00 0.00 55 G 8.87 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 0.00 0.00 0.00 56 Q 7.34 4.66 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 57 E 8.53 4.18 0.00 2.10 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 2.44 2.34 0.00 58 P 0.00 4.20 0.00 2.15 2.53 0.00 3.83 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 2.30 2.21 0.00 59 L 8.15 3.96 0.00 1.74 1.88 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.13 3.96 0.00 2.17 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.63 7.81 61 V 7.76 3.54 2.28 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 1.11 0.00 0.00 1.01 0.00 0.00 62 F 8.75 3.98 0.00 3.01 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 63 K 8.56 3.54 0.00 1.91 1.82 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.68 7.81 64 Q 7.76 3.93 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 65 A 8.13 4.13 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 0.00 0.00 0.00 0.00 0.00 66 V 7.32 3.32 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 0.84 0.00 0.00 0.26 0.00 0.00 67 E 7.71 3.85 0.00 2.04 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 2.30 2.40 0.00 68 N 7.64 4.60 0.00 2.83 2.85 0.00 0.00 6.94 9.01 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 69 V 7.54 4.21 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 1.08 0.00 0.00 1.02 0.00 0.00 70 K 7.52 4.38 0.00 1.80 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.59 1.58 7.81 71 P 0.00 4.86 0.00 2.38 2.45 0.00 3.80 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 72 R 8.70 4.59 0.00 1.84 2.07 0.00 3.06 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 73 M 7.78 5.17 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 74 E 9.11 4.79 0.00 2.09 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 2.20 2.29 0.00 75 V 8.31 4.72 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 0.90 0.00 0.00 0.95 0.00 0.00 76 R 8.80 4.84 0.00 1.82 2.03 0.00 3.19 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 77 S 9.00 4.91 0.00 3.83 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 78 R 8.15 4.32 0.00 2.18 2.09 0.00 3.89 0.00 0.00 3.49 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 79 R 8.61 3.83 0.00 1.64 1.74 0.00 3.23 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 80 V 7.66 4.21 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 0.52 0.00 0.00 0.72 0.00 0.00 81 G 7.94 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 82 G 7.84 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 83 A 8.05 4.57 1.02 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 0.00 0.00 84 N 8.46 4.82 0.00 2.69 2.75 0.00 0.00 6.28 7.55 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 85 Y 8.07 4.69 0.00 2.99 2.37 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 86 Q 8.92 4.58 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 87 V 8.91 4.15 2.29 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 0.99 0.00 0.00 1.37 0.00 0.00 88 P 0.00 5.22 0.00 2.08 2.02 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 89 M 8.96 4.81 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 90 E 8.68 4.54 0.00 1.83 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 2.28 2.27 0.00 91 V 8.05 4.41 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 0.81 0.00 0.00 1.02 0.00 0.00 92 S 8.69 4.29 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.25 0.00 2.26 2.37 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 94 R 8.01 3.81 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 95 R 7.60 3.85 0.00 1.94 1.98 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 96 Q 8.74 3.68 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 97 Q 8.44 3.90 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 98 S 7.81 4.02 0.00 3.93 3.79 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 99 L 8.28 3.16 0.00 1.05 0.13 0.74 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.36 4.08 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 0.00 0.00 0.00 0.00 0.00 101 L 7.99 4.10 0.00 1.75 1.92 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.89 3.86 0.00 1.85 1.81 0.00 3.00 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 103 W 8.29 4.56 0.00 3.68 3.10 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 0.00 104 L 8.71 4.11 0.00 2.22 2.11 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.24 3.67 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 0.95 0.00 0.00 0.55 0.00 0.00 106 Q 8.04 3.99 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 107 A 8.63 4.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.89 4.66 0.00 2.89 2.89 0.00 0.00 7.09 7.17 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 0.00 110 Q 8.17 4.30 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 111 R 6.97 4.14 0.00 2.04 2.17 0.00 3.28 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 112 P 0.00 4.43 0.00 2.19 2.18 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 113 E 8.22 3.99 0.00 2.11 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 2.32 2.40 0.00 114 R 8.72 4.02 0.00 1.83 2.04 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 115 R 7.83 4.12 0.00 1.88 1.78 0.00 3.20 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 116 A 8.73 3.95 1.33 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 0.00 0.00 0.00 117 A 8.03 4.00 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 0.00 118 V 7.69 3.37 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 0.85 0.00 0.00 0.90 0.00 0.00 119 R 7.83 3.90 0.00 2.18 2.19 0.00 3.49 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 120 I 7.92 3.93 1.97 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 1.56 0.95 1.29 0.00 0.00 121 A 8.34 3.99 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 0.00 0.00 0.00 0.00 0.00 122 H 8.89 3.99 0.00 3.26 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.27 4.00 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 124 L 8.39 4.04 0.00 1.94 1.76 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.90 4.04 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.62 0.00 126 D 8.92 4.45 0.00 2.75 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 0.00 127 A 8.13 3.96 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 0.00 128 A 7.84 3.98 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 0.00 129 E 7.93 4.09 0.00 2.11 2.03 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 2.47 2.48 0.00 130 G 7.95 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 0.00 0.00 0.00 131 K 8.28 4.63 0.00 1.80 1.80 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.33 7.81 132 G 8.83 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 0.00 133 G 8.86 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 0.00 134 A 8.29 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 136 K 7.85 3.80 0.00 1.94 1.76 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.57 7.81 137 K 7.81 3.47 0.00 1.08 0.75 0.00 1.45 0.00 0.00 1.06 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.33 7.81 138 K 7.25 3.47 0.00 1.91 1.89 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.38 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.76 7.81 139 E 7.92 3.91 0.00 2.12 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 2.29 2.63 0.00 140 D 8.07 4.34 0.00 2.60 2.67 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 0.00 141 V 7.94 3.64 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 1.19 0.00 0.00 0.84 0.00 0.00 142 E 8.45 4.15 0.00 2.05 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 2.37 2.68 0.00 143 R 7.97 4.16 0.00 2.02 1.95 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 144 M 8.38 4.02 0.00 1.96 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 145 A 7.18 4.18 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 0.00 146 E 8.91 3.83 0.00 2.30 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 2.26 2.21 0.00 147 A 7.86 4.13 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 0.00 148 N 7.72 4.78 0.00 2.68 2.86 0.00 0.00 7.06 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 0.00 149 R 8.28 3.92 0.00 1.67 1.93 0.00 3.25 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 150 A 7.64 3.80 0.73 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 0.00 151 Y 7.64 4.31 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.05 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 0.00 153 H 8.23 4.45 0.00 3.40 3.41 0.00 5.50 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.40 5.06 0.00 3.03 3.09 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 0.00 155 R 7.78 3.57 0.00 1.84 1.93 0.00 3.41 0.00 0.00 3.10 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 156 W 8.03 4.02 0.00 3.46 3.33 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 0.00