NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9626 8.3549 109.7376 45.5238 0.0000 172.5655 2 L 4.3622 8.1007 118.3899 51.1936 43.2743 175.7326 3 S 4.4945 9.5090 118.8581 57.9308 66.1795 174.9193 4 D 4.6542 8.7866 122.0724 57.6970 40.5116 179.4163 5 G 3.6637 8.0858 105.6403 47.8226 0.0000 175.5058 6 E 3.9301 8.3071 120.9462 58.9358 29.4102 179.3935 7 W 4.3511 8.2606 119.1768 59.8449 29.1071 178.2757 8 Q 4.0644 8.4342 119.5067 59.3294 28.3997 178.4177 9 Q 4.0444 8.1755 119.0802 58.8814 28.7717 178.8283 10 V 3.6840 8.0784 119.3871 66.3225 31.4176 178.1801 11 L 4.2539 8.1289 116.9238 57.2797 41.8000 178.7940 12 N 4.4973 8.4185 117.6023 56.7135 38.9725 176.9979 13 V 3.6147 8.1707 119.9648 65.8724 31.5484 177.7756 14 W 4.1820 8.6543 127.9937 60.0270 30.2807 178.0487 15 G 3.6263 7.9744 105.5254 47.5770 0.0000 175.8475 16 K 3.8485 7.6320 119.9532 59.2994 32.3390 179.2315 17 V 2.8299 6.8941 117.8801 65.6988 31.1129 177.7623 18 E 3.8592 7.5729 116.6802 58.7617 29.2757 178.7700 19 A 4.2041 7.3417 120.1571 53.8688 19.8675 177.6705 20 D 4.6968 7.7890 116.4224 52.3521 42.7405 175.4675 21 I 3.6487 7.8348 124.5955 63.8815 37.5582 177.5845 22 A 4.1419 7.3954 122.6070 54.5099 18.3296 179.7787 23 G 3.6214 8.2116 105.5243 47.7910 0.0000 175.6605 24 H 4.1663 8.3091 119.1997 58.3638 28.6811 178.2273 25 G 3.5175 8.3924 107.9176 47.6398 0.0000 175.4095 26 Q 3.8557 8.2633 122.4660 59.1695 29.0287 178.5357 27 E 3.8783 8.1253 119.4106 59.1242 29.4096 179.5518 28 V 3.5171 7.9282 118.5964 66.0481 31.5747 178.1953 29 L 3.4742 7.7179 118.6905 57.4979 41.2541 179.5508 30 I 3.6433 7.7115 120.0153 64.1965 36.9920 178.4304 31 R 3.7877 8.0802 119.7728 59.1127 29.9104 178.2706 32 L 3.9201 7.7907 120.0547 58.4053 41.6749 179.1113 33 F 4.5997 8.2175 118.3576 60.7650 38.6016 177.8989 34 T 4.0896 8.1394 109.0641 64.6182 68.8325 176.8959 35 G 3.6099 7.9167 107.7485 46.3740 0.0000 173.6629 36 H 4.7468 8.0090 117.5460 51.9823 29.7323 171.8715 37 P 4.6236 0.0000 0.0000 64.5386 31.5559 177.5492 38 E 4.1233 8.2773 116.2337 59.4263 29.4091 179.1625 39 T 3.8487 8.2539 111.5542 64.5098 68.7684 176.2921 40 L 3.5271 7.8548 122.8168 57.8603 41.7934 178.5583 41 E 4.1296 7.8460 116.5834 58.3102 29.5067 178.5873 42 K 4.4762 8.0030 117.5560 56.9236 32.8225 177.3817 43 F 4.6624 8.1851 119.1570 55.3972 39.5095 175.4520 44 D 4.3752 8.5725 125.1140 57.0320 40.9124 178.8778 45 K 4.2423 7.8341 115.2455 57.7192 33.2296 177.0313 46 F 5.1028 8.0215 117.7430 57.1725 40.1109 177.1497 47 K 4.0376 7.7616 119.9711 59.3290 31.8914 177.8621 48 H 4.3549 8.1227 112.5435 56.9279 28.9146 175.5471 49 L 4.1965 7.3835 120.5206 54.6420 39.9922 176.6269 50 K 4.4152 9.5353 123.0637 56.5364 33.0420 177.4426 51 T 4.7207 7.3026 109.0384 59.0022 73.1418 174.1163 52 E 3.9278 8.7244 121.8603 59.2261 29.6945 178.8198 53 A 3.9987 7.9660 120.5687 55.2501 18.2430 179.2920 54 E 3.9432 8.0892 115.9719 59.6723 29.9282 179.1424 55 M 4.1467 7.9496 118.7384 58.4920 31.8492 179.0295 56 K 3.9710 8.2611 117.3760 59.0583 32.3077 178.5032 57 A 4.4398 7.7929 118.4385 51.7076 18.8969 177.0799 58 S 4.3861 7.5175 113.6808 57.2329 62.7373 174.5893 59 E 4.0087 8.9163 128.6067 59.6273 29.2061 178.7863 60 D 4.4189 8.1522 117.6322 57.0488 41.2814 177.8906 61 L 3.7673 8.1196 121.2709 57.7972 42.0571 178.8283 62 K 3.8712 7.8490 119.7316 59.2251 32.1308 178.5373 63 K 3.9106 8.3217 120.1219 60.0343 32.0755 178.2343 64 H 4.3759 8.8270 118.8207 59.1491 29.7502 177.3131 65 G 3.6445 8.4571 107.9352 48.1387 0.0000 175.8000 66 T 3.8912 8.0238 118.0021 66.3365 68.4569 176.9281 67 V 3.6622 7.8235 120.2108 65.9127 31.5556 178.2638 68 V 3.5935 8.0712 118.2196 66.2473 31.4763 178.1383 69 L 4.2927 8.1956 118.5492 57.7940 41.4323 179.6618 70 T 4.0219 8.2868 116.0449 66.4643 68.3978 176.5374 71 A 3.9986 8.0737 122.7477 55.0782 18.3827 179.4321 72 L 3.7041 8.1166 119.0289 58.0863 42.1327 179.2650 73 G 3.2168 8.5791 106.2356 47.6504 0.0000 175.7880 74 G 3.6107 7.8362 107.0172 47.4860 0.0000 175.5877 75 I 3.8410 7.5567 122.0832 64.1907 37.1237 178.5515 76 L 3.9749 7.8366 120.1194 57.6095 41.1782 179.3463 77 K 4.0180 7.6128 116.3357 57.9039 32.3418 178.5813 78 K 3.9630 7.8655 118.7094 55.8994 32.5553 176.5654 79 K 2.0000 8.3301 118.1732 56.3348 29.7767 175.7669 80 G 3.9219 7.8989 106.4032 45.7556 0.0000 174.1150 81 H 4.5574 7.2294 119.0963 55.2174 27.4036 174.8204 82 H 5.4157 7.3274 110.8966 54.0282 29.8618 175.8731 83 E 3.9270 8.6405 122.4047 60.2882 29.0066 178.7374 84 A 3.9990 7.9127 118.5495 55.0792 19.1057 178.9386 85 E 4.1067 8.1014 116.7715 59.1035 29.6908 178.7125 86 L 4.1359 8.3995 120.5947 57.1611 42.2455 178.3972 87 K 3.8465 8.2398 120.2437 59.1941 32.0414 176.9227 88 P 4.2434 0.0000 0.0000 65.6972 31.0732 178.0968 89 L 3.9788 7.4876 119.1595 57.9172 42.0915 178.7116 90 A 4.0518 8.2106 120.9446 55.4692 18.2412 179.7041 91 Q 3.9634 8.3881 116.9008 58.9060 28.7517 178.9887 92 S 3.9958 8.4295 115.7853 61.7293 63.1154 176.2994 93 H 4.1489 8.6682 119.6167 57.9301 28.1640 177.7226 94 A 2.5800 7.7879 122.7481 54.6974 18.1016 179.6490 95 T 3.8118 7.4313 112.6027 65.4321 68.8769 176.2798 96 K 4.0684 7.4545 119.9088 58.7669 32.7876 177.1362 97 H 4.3916 7.7934 113.6403 55.7437 29.5111 175.2762 98 K 3.6554 6.8864 117.7141 57.3253 29.3916 176.7955 99 I 4.3345 8.0077 119.5285 59.0024 37.8492 175.0437 100 P 4.5683 0.0000 0.0000 62.2506 31.9909 177.7220 101 I 3.6379 8.5405 120.4707 63.9920 37.7180 177.9505 102 K 3.5878 8.0044 120.2384 59.9297 31.8035 178.0497 103 Y 4.2272 7.9680 116.6371 60.8248 37.7755 178.1800 104 L 4.2028 7.8745 119.7750 57.3510 41.7449 178.8605 105 E 3.9573 8.0955 119.5687 59.2977 29.6158 178.6755 106 F 4.5164 8.1211 117.9419 61.0153 39.0426 177.6419 107 I 3.8840 8.2338 117.9157 63.8386 37.6037 178.1430 108 S 4.2263 8.3310 116.3877 61.7991 62.7037 176.3226 109 D 4.4662 8.4804 121.3717 57.3268 40.4471 178.7046 110 A 4.0693 8.2578 121.3822 55.1843 18.3543 179.7487 111 I 3.6801 7.9652 118.3361 64.6020 37.3214 178.7246 112 I 3.8902 7.6994 120.5967 64.5705 36.8778 177.8928 113 H 4.1706 8.4811 119.1259 59.4784 29.6591 177.5166 114 V 3.4990 8.1404 120.2310 65.8111 31.3899 177.9669 115 L 3.8080 7.9497 118.8491 58.0763 41.1516 179.2420 116 H 4.3978 8.1347 115.7674 58.8934 28.4069 177.8881 117 S 4.1380 8.0701 114.4266 61.0508 62.3150 175.8117 118 K 4.1183 8.1161 119.8676 57.5823 33.2102 176.6467 119 H 4.9528 7.9854 116.1004 53.8187 29.4459 171.8662 120 P 4.5996 0.0000 0.0000 63.5524 32.0329 177.5094 121 G 3.9822 9.1647 110.3795 45.6979 0.0000 172.9653 122 D 4.9329 8.4413 117.6764 53.6272 41.6902 175.8529 123 F 4.9938 8.0370 120.4339 55.2393 39.3638 175.0881 124 G 3.8301 8.1168 112.8353 43.4020 0.0000 170.9188 125 A 3.9052 8.3437 121.9315 54.9777 18.3319 179.6545 126 D 4.2359 7.9960 117.0177 56.5386 39.3991 178.5930 127 A 3.9858 7.7840 121.7539 54.8165 18.4299 179.1512 128 Q 3.5427 7.8899 118.6231 58.9701 29.0397 178.6797 129 G 3.5521 8.0146 106.4522 47.7870 0.0000 175.5347 130 A 3.8612 8.0117 123.5801 54.9834 18.4085 179.4014 131 M 4.0416 8.3707 117.0430 59.0362 32.2031 178.5390 132 T 3.9013 8.2273 116.1428 66.5605 68.5934 176.6500 133 K 4.0025 8.0773 120.0968 59.4755 32.0789 179.2486 134 A 3.8442 7.8946 120.8824 55.1597 18.2342 179.7525 135 L 4.0910 8.1889 117.6023 57.8424 41.6220 179.5899 136 E 3.9967 8.5760 119.0768 59.1816 29.3319 179.0624 137 L 3.9743 8.1699 120.5181 58.0304 42.2069 178.5749 138 F 4.1798 8.3487 120.5841 61.5979 39.2464 177.1167 139 R 3.5335 8.3001 118.2068 59.3084 29.8549 177.9964 140 N 4.2546 8.5640 117.3529 56.7338 38.8179 176.7068 141 D 4.3743 8.3164 120.5165 57.1370 40.8040 178.7942 142 I 3.4500 7.5220 120.2841 64.1493 36.9348 178.1767 143 A 3.7581 7.9877 121.7465 55.0508 18.1166 179.5386 144 A 3.9330 7.9440 119.2368 55.2771 18.5561 180.0736 145 K 4.0045 7.8654 117.1253 59.7299 32.0722 179.1373 146 Y 4.3186 8.5225 117.5345 61.1042 37.8352 178.7047 147 K 3.9766 8.4716 120.6220 59.4937 32.0810 178.3853 148 E 3.9947 7.9834 117.8442 59.7054 29.6040 179.0963 149 L 4.2859 7.8544 115.6494 54.7852 41.8462 177.5622 150 G 3.8824 7.8194 106.7583 46.2663 0.0000 173.1720 151 F 4.5424 8.2341 121.7161 56.9661 40.3095 174.7597 152 Q 4.0513 7.2333 125.0162 56.5725 31.0290 175.7520 153 G 3.3289 6.5686 109.2302 46.0872 0.0000 172.9191 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 G 8.35 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 2 L 8.10 4.36 0.00 0.58 0.69 0.50 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.51 4.49 0.00 4.05 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 4 D 8.79 4.65 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.09 3.66 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 0.00 0.00 0.00 6 E 8.31 3.93 0.00 2.02 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 2.23 2.27 0.00 7 W 8.26 4.35 0.00 3.55 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 8 Q 8.43 4.06 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.18 4.04 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 10 V 8.08 3.68 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 1.18 0.00 0.00 0.87 0.00 0.00 11 L 8.13 4.25 0.00 1.76 1.81 0.92 0.96 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 12 N 8.42 4.50 0.00 3.02 3.02 0.00 0.00 6.67 7.27 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 13 V 8.17 3.61 2.38 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 0.84 0.00 0.00 1.21 0.00 0.00 14 W 8.65 4.18 0.00 3.63 3.24 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 15 G 7.97 3.63 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 0.00 0.00 0.00 16 K 7.63 3.85 0.00 1.52 1.52 0.00 1.33 0.00 0.00 0.98 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.35 7.81 17 V 6.89 2.83 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 0.06 0.00 0.00 0.15 0.00 0.00 18 E 7.57 3.86 0.00 1.85 1.94 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 2.28 2.17 0.00 19 A 7.34 4.20 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 20 D 7.79 4.70 0.00 2.71 2.52 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 21 I 7.83 3.65 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.89 0.00 0.00 22 A 7.40 4.14 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 23 G 8.21 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 24 H 8.31 4.17 0.00 3.15 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.39 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 26 Q 8.26 3.86 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 27 E 8.13 3.88 0.00 1.97 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 2.25 2.40 0.00 28 V 7.93 3.52 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 1.02 0.00 0.00 0.96 0.00 0.00 29 L 7.72 3.47 0.00 1.36 0.77 0.81 0.60 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 30 I 7.71 3.64 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.87 0.00 0.00 31 R 8.08 3.79 0.00 1.94 2.10 0.00 3.03 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 L 7.79 3.92 0.00 1.78 1.45 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.22 4.60 0.00 2.99 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 34 T 8.14 4.09 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 1.23 0.00 0.00 35 G 7.92 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 36 H 8.01 4.75 0.00 3.09 3.03 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.62 0.00 2.15 2.10 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.28 4.12 0.00 2.30 2.31 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 2.28 2.59 0.00 39 T 8.25 3.85 4.43 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 0.74 0.00 0.00 40 L 7.85 3.53 0.00 1.49 1.73 -0.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 4.13 0.00 2.23 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 2.38 2.53 0.00 42 K 8.00 4.48 0.00 2.01 1.79 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.76 1.99 7.81 43 F 8.19 4.66 0.00 3.28 2.87 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 0.00 0.00 0.00 44 D 8.57 4.38 0.00 2.68 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 45 K 7.83 4.24 0.00 1.60 1.73 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.85 0.21 7.81 46 F 8.02 5.10 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.76 4.04 0.00 1.94 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.65 7.81 48 H 8.12 4.35 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.38 4.20 0.00 1.65 1.60 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.54 4.42 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 51 T 7.30 4.72 4.23 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 1.20 0.00 0.00 52 E 8.72 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.97 4.00 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 54 E 8.09 3.94 0.00 2.12 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 2.35 0.00 55 M 7.95 4.15 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 56 K 8.26 3.97 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.58 7.81 57 A 7.79 4.44 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 58 S 7.52 4.39 0.00 4.05 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 59 E 8.92 4.01 0.00 2.06 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 2.42 2.33 0.00 60 D 8.15 4.42 0.00 2.90 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 61 L 8.12 3.77 0.00 1.41 1.66 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.87 0.00 1.79 1.99 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 63 K 8.32 3.91 0.00 2.00 2.11 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.83 4.38 0.00 3.61 3.54 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.46 3.64 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 0.00 0.00 0.00 66 T 8.02 3.89 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 67 V 7.82 3.66 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 1.05 0.00 0.00 0.99 0.00 0.00 68 V 8.07 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 69 L 8.20 4.29 0.00 1.79 1.87 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 4.02 4.46 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 1.26 0.00 0.00 71 A 8.07 4.00 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 72 L 8.12 3.70 0.00 1.60 1.77 -0.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 3.22 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 0.00 0.00 0.00 0.00 74 G 7.84 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 75 I 7.56 3.84 1.88 0.00 0.00 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 1.54 0.72 0.93 0.00 0.00 76 L 7.84 3.97 0.00 1.22 1.51 -0.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 4.02 0.00 1.63 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.48 7.81 78 K 7.87 3.96 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.33 2.00 0.00 1.20 0.74 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.44 0.74 7.81 80 G 7.90 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 81 H 7.23 4.56 0.00 3.18 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.33 5.42 0.00 3.26 3.42 0.00 5.66 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 83 E 8.64 3.93 0.00 2.12 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 2.40 2.48 0.00 84 A 7.91 4.00 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 85 E 8.10 4.11 0.00 2.24 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 2.39 2.42 0.00 86 L 8.40 4.14 0.00 1.67 1.74 0.77 0.50 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 87 K 8.24 3.85 0.00 1.95 1.81 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 P 0.00 4.24 0.00 2.33 2.31 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 89 L 7.49 3.98 0.00 1.87 1.89 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.21 4.05 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 91 Q 8.39 3.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 92 S 8.43 4.00 0.00 3.93 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 93 H 8.67 4.15 0.00 3.49 3.55 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.79 2.58 0.34 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 95 T 7.43 3.81 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.45 4.07 0.00 1.54 1.59 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.36 7.81 97 H 7.79 4.39 0.00 3.03 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.89 3.66 0.00 1.96 2.01 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 99 I 8.01 4.33 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.20 0.00 0.00 100 P 0.00 4.57 0.00 1.67 1.80 0.00 2.70 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 1.11 1.73 0.00 101 I 8.54 3.64 1.89 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.88 0.00 0.00 102 K 8.00 3.59 0.00 1.72 1.57 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 0.52 7.81 103 Y 7.97 4.23 0.00 3.18 3.06 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 0.00 104 L 7.87 4.20 0.00 1.78 1.74 0.68 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.10 3.96 0.00 2.00 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 2.40 2.39 0.00 106 F 8.12 4.52 0.00 3.28 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 0.00 107 I 8.23 3.88 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 1.12 0.00 0.00 108 S 8.33 4.23 0.00 4.20 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 0.00 109 D 8.48 4.47 0.00 2.99 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 0.00 110 A 8.26 4.07 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 0.00 111 I 7.97 3.68 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.99 0.00 0.00 112 I 7.70 3.89 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 1.15 0.00 0.00 113 H 8.48 4.17 0.00 3.32 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.14 3.50 2.06 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 0.99 0.00 0.00 1.03 0.00 0.00 115 L 7.95 3.81 0.00 1.24 0.49 0.50 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.13 4.40 0.00 3.42 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.07 4.14 0.00 3.68 3.87 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 0.00 0.00 0.00 118 K 8.12 4.12 0.00 1.59 1.48 0.00 1.64 0.00 0.00 1.29 0.00 0.00 2.49 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.27 1.42 7.81 119 H 7.99 4.95 0.00 3.24 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.60 0.00 2.19 2.14 0.00 3.39 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 121 G 9.16 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 0.00 0.00 0.00 122 D 8.44 4.93 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.04 4.99 0.00 2.73 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 0.00 124 G 8.12 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 0.00 125 A 8.34 3.91 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 0.00 126 D 8.00 4.24 0.00 2.93 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 0.00 127 A 7.78 3.99 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 0.00 128 Q 7.89 3.54 0.00 1.18 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 129 G 8.01 3.55 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 0.00 0.00 0.00 130 A 8.01 3.86 1.32 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 0.00 131 M 8.37 4.04 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.80 0.00 132 T 8.23 3.90 4.42 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 1.23 0.00 0.00 133 K 8.08 4.00 0.00 1.79 1.67 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 7.89 3.84 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 0.00 135 L 8.19 4.09 0.00 1.89 1.83 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.58 4.00 0.00 2.15 2.00 0.00 0.00 0.00 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 2.47 0.00 137 L 8.17 3.97 0.00 1.88 1.97 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.18 0.00 3.06 3.28 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 0.00 139 R 8.30 3.53 0.00 2.08 2.04 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 140 N 8.56 4.25 0.00 2.88 2.78 0.00 0.00 7.24 8.09 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 0.00 141 D 8.32 4.37 0.00 2.77 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 0.00 142 I 7.52 3.45 1.47 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.20 0.16 0.00 0.00 143 A 7.99 3.76 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 0.00 144 A 7.94 3.93 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 0.00 145 K 7.87 4.00 0.00 1.94 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.52 4.32 0.00 3.12 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 0.00 147 K 8.47 3.98 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.98 3.99 0.00 2.23 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 0.00 2.37 2.65 0.00 149 L 7.85 4.29 0.00 1.81 1.71 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.82 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 0.00 0.00 0.00 151 F 8.23 4.54 0.00 2.74 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 0.00 152 Q 7.23 4.05 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 153 G 6.57 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 0.00 0.00 0.00