NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5414 8.2893 118.1949 55.3057 32.9333 173.8759 2 D 5.0140 8.4445 119.0762 49.3351 42.3772 173.1507 3 E 4.0056 9.5351 117.5133 60.0603 30.1557 180.2124 4 I 3.7348 7.8082 120.2291 64.2966 37.2090 177.8674 5 D 4.3923 8.4482 119.7769 57.3857 40.5867 178.8877 6 L 4.0396 7.8709 119.1064 57.8438 41.1990 179.8004 7 R 3.9669 7.9328 117.9579 58.9969 29.8678 179.2393 8 I 3.7562 7.7004 119.7514 64.4906 37.1272 178.4549 9 L 3.9589 8.2712 120.2153 57.6814 41.1760 179.5160 10 K 4.0757 8.0706 118.8247 59.3152 32.2775 178.6768 11 I 4.0898 7.3934 118.9080 64.2628 36.0581 178.2806 12 L 4.2850 8.2390 120.1009 57.6687 41.1625 179.5078 13 Q 4.0384 8.2466 117.0155 58.5754 28.4635 177.3092 14 Y 4.6530 7.2961 117.7012 58.1482 39.1447 175.1465 15 N 4.7209 8.4160 118.2376 51.9186 40.2549 173.5879 16 A 4.4225 8.6726 127.9289 53.1811 19.0776 177.6552 17 K 4.4440 7.9473 114.3946 55.9250 32.5282 176.4636 18 Y 4.2293 7.7844 117.4245 57.8989 38.6982 176.6882 19 S 4.5263 9.2410 118.8207 57.8728 65.4949 175.5635 20 L 4.0184 8.4321 122.8868 58.0417 41.3932 179.4918 21 D 4.3608 8.0845 118.2963 57.4307 40.7884 178.4924 22 E 3.9224 7.9099 118.8214 59.6206 29.4578 179.5605 23 I 3.4908 7.5876 119.1715 64.2626 37.1384 178.2773 24 A 3.9733 8.3411 121.9882 55.3526 17.9330 179.9895 25 R 3.8615 7.8061 115.5633 59.3120 30.2269 178.5765 26 E 4.0178 8.1228 118.6161 58.5562 29.7482 178.0103 27 I 4.0638 7.8940 110.9580 60.0183 39.0744 175.1393 28 R 3.8211 8.2150 118.4967 56.9997 27.0506 175.5560 29 I 4.7320 7.2277 108.3174 57.3580 41.3218 173.8410 30 P 4.3354 0.0000 0.0000 62.4567 32.8537 177.4561 31 K 3.8526 8.7946 122.7580 59.9282 32.0636 179.2386 32 S 4.1903 8.0208 113.8761 61.6730 62.9941 176.5118 33 T 3.9781 7.7483 119.0037 66.1178 68.1929 176.3657 34 L 3.9423 8.2117 122.5236 58.3177 42.2253 178.8002 35 S 4.0833 8.4207 113.4825 61.6056 62.2268 175.6343 36 Y 4.0655 8.0880 121.9847 60.8745 38.6653 178.0601 37 R 3.7086 8.2277 119.0398 59.2765 30.1342 179.2133 38 I 3.7274 8.0133 119.7315 64.3365 37.1485 178.6181 39 K 4.1149 8.0103 119.3568 59.3172 31.7282 179.3602 40 K 3.8352 7.8387 119.9426 59.3148 32.1018 178.9482 41 L 3.9470 7.9129 119.3061 57.6796 41.5440 179.4663 42 E 4.2186 8.0540 119.9730 58.8489 29.2654 179.4597 43 K 4.0385 7.8793 117.3044 59.2072 32.1742 178.2325 44 D 4.6900 8.2336 116.8132 53.9410 40.9729 177.3097 45 G 3.8992 7.6947 107.5603 45.8403 0.0000 175.2835 46 V 3.5399 7.9240 120.2582 65.3439 31.8675 176.4724 47 I 4.0709 7.4001 123.5171 59.6849 36.9927 176.5641 48 K 4.0551 8.4727 126.0820 56.8789 32.3362 177.3559 49 G 3.8284 6.2029 105.4615 45.6964 0.0000 170.6111 50 Y 4.3662 8.1419 115.9979 56.1182 40.7224 175.0090 51 Y 5.1008 8.2556 120.8267 56.0180 41.5596 174.7379 52 A 4.3963 8.5258 124.9717 51.3834 19.8895 176.7984 53 Y 4.3645 8.5483 124.2424 56.5282 38.5134 174.5074 54 I 3.9977 7.4781 128.5252 59.4288 38.7500 175.4044 55 N 4.1993 8.3548 123.5590 52.7093 39.0343 173.4243 56 P 4.1529 0.0000 0.0000 65.7766 31.3728 178.4214 57 A 4.0536 7.9214 118.9095 55.1237 18.0937 179.5765 58 S 4.2227 7.9760 112.7634 60.6172 62.8584 175.6602 59 L 4.5136 7.4438 119.3885 53.4678 42.0854 175.6785 60 N 4.2721 8.0046 115.4743 54.5064 36.6007 174.3338 61 L 5.0960 7.7125 119.6272 54.2979 39.3144 176.0450 62 D 4.5381 8.4522 121.0861 54.8539 42.9756 175.1395 63 Y 4.3196 8.5441 120.6479 56.2229 39.3443 173.2820 64 I 4.8876 7.7754 126.4661 59.4877 39.7325 175.1061 65 V 4.8121 8.5336 119.0602 59.5730 36.4640 174.8519 66 I 4.7767 8.4594 122.9553 60.1036 40.6624 174.4594 67 T 5.1695 9.0450 124.6613 61.8046 71.5929 173.6526 68 S 5.1717 9.1294 122.8289 57.5335 65.0612 173.4322 69 V 4.8990 9.0775 124.0374 61.2257 34.5486 174.1518 70 K 4.8825 9.2192 127.7901 55.1842 33.8870 175.6922 71 A 5.1326 8.4070 125.3870 49.7575 21.5732 176.3258 72 K 4.2296 8.5336 121.6344 56.6986 32.8953 176.4753 73 Y 4.3802 8.7116 123.4192 57.9218 39.5620 174.8689 74 G 4.0518 9.3757 107.9453 44.8033 0.0000 177.5478 75 K 3.5079 7.7948 119.5454 57.4141 31.9063 175.4616 76 N 4.9703 7.8613 123.6758 53.6784 39.6819 175.3663 77 Y 4.3811 7.6031 115.9503 61.3092 37.9664 177.7307 78 H 4.1944 8.4039 116.2549 59.1295 28.7308 177.6328 79 V 3.6554 7.8132 119.0396 66.3577 31.4923 177.8777 80 E 3.9673 8.2393 118.1967 59.2311 29.1911 179.1347 81 L 3.9612 8.3352 120.8359 57.8813 42.1320 179.0952 82 G 3.0636 7.7692 105.6570 47.8460 0.0000 175.4087 83 N 4.3543 7.5825 117.8845 55.8498 38.4747 177.4379 84 K 4.0802 7.8163 119.8448 59.2983 31.9956 179.4432 85 L 3.8937 7.9831 119.2828 57.6659 41.3289 179.3357 86 A 4.1026 7.7365 119.2360 54.3502 18.3864 178.6684 87 Q 4.2866 7.4404 114.3592 55.4194 29.5895 175.9956 88 I 4.0283 7.1954 123.1109 59.9062 37.8337 173.8440 89 P 4.5751 0.0000 0.0000 64.2539 31.9200 176.2299 90 G 3.7354 9.1307 110.5640 45.1994 0.0000 173.1967 91 V 4.3173 7.5810 120.0882 62.0928 31.7090 175.2517 92 W 4.8150 8.5304 124.1650 56.3128 30.3193 176.2310 93 G 3.6723 7.0825 107.6809 44.1604 0.0000 171.7410 94 V 4.8403 7.7024 123.5515 61.3752 34.3218 173.9230 95 Y 5.0398 9.1918 124.9527 56.1952 42.1849 174.0324 96 F 4.9756 9.0761 124.4433 56.6026 41.3191 175.0338 97 V 4.5074 7.6501 118.5490 59.4599 35.7532 175.6096 98 L 4.3387 8.3355 122.9750 54.0657 42.7270 175.4917 99 G 3.9953 8.2548 114.7996 45.6165 0.0000 173.7910 100 D 4.3665 7.9269 123.2945 53.9084 42.6143 176.2274 101 N 4.4644 8.1452 115.3771 52.2306 36.0478 171.2160 102 D 4.3266 6.2359 115.9489 52.7580 43.3504 175.3524 103 F 5.2905 8.8555 116.5397 56.5415 41.5398 175.2946 104 I 4.9648 9.0179 123.2670 59.5733 40.0729 174.5879 105 V 4.7677 9.1303 127.4812 61.3195 34.2348 173.8666 106 M 4.8138 8.6812 127.6490 53.5748 33.9576 175.0481 107 A 5.0712 8.5095 123.9195 50.6307 23.6068 174.8219 108 R 5.0072 8.2114 117.1363 54.8918 34.0294 174.6566 109 Y 4.9496 8.9024 119.2694 56.3979 42.5135 176.6673 110 K 4.7648 9.4719 120.5497 58.9033 32.5843 177.9007 111 T 4.7247 7.5255 107.3158 58.9455 73.1294 174.5480 112 R 2.5100 7.9697 119.9223 59.1389 29.8759 177.8674 113 E 3.8752 8.0024 117.7989 59.5540 29.4486 178.9516 114 E 3.8508 8.0440 118.9057 59.0339 29.6283 178.4953 115 F 3.0871 8.1010 120.6780 61.2817 39.3496 177.0196 116 M 3.6009 8.1993 118.5298 58.1439 31.5300 178.4598 117 E 3.7682 7.8760 118.0867 59.3495 29.9906 178.6404 118 K 4.1075 8.0262 117.3017 58.5533 32.4424 177.2023 119 F 4.3548 7.7809 118.7201 59.3017 40.8039 177.0399 120 L 3.6793 6.8336 118.6162 58.3570 41.8770 179.1662 121 E 3.9379 7.8748 117.0814 59.2805 29.6294 179.4445 122 R 3.9071 7.5569 117.5341 59.3278 30.2614 179.1453 123 V 3.3847 7.4600 118.0484 66.1073 31.2039 177.8986 124 M 4.0892 8.1881 118.2440 57.7096 31.8104 177.8016 125 S 4.6390 7.3851 111.5368 57.5790 64.0268 173.9928 126 I 4.1174 7.3359 125.3801 59.5486 36.8775 174.7432 127 P 4.2109 0.0000 0.0000 65.3485 31.4189 177.4506 128 E 3.9424 7.9517 113.7623 56.5735 29.8279 175.7511 129 V 4.1726 7.2935 120.1906 62.8913 31.8250 175.0713 130 E 4.4612 9.2543 128.8902 58.0856 30.7806 175.9847 131 R 4.9257 7.6467 115.7717 55.4402 34.8254 174.1446 132 T 5.2326 8.2946 109.9845 60.5973 72.4271 173.4808 133 S 4.4918 9.1362 117.8090 57.6144 65.6489 172.5941 134 T 4.9144 8.6943 124.6283 62.3376 70.0000 174.2433 135 Q 4.4430 9.0558 126.7199 54.2928 30.6289 175.0263 136 V 3.9146 8.1735 125.1628 61.8494 32.3641 175.5612 137 V 3.7673 8.4219 129.6044 63.0982 31.4058 176.1306 138 V 4.2023 8.3274 120.1169 61.0157 32.8591 175.7790 139 K 4.2400 7.6281 119.3675 55.5029 34.7835 174.5360 140 I 4.3083 8.2179 127.7570 59.7563 37.1112 175.4115 141 I 3.9441 8.2785 127.5640 63.7730 37.4151 177.0455 142 K 4.4805 7.6446 117.8856 55.6046 34.6987 175.2323 143 E 4.6332 8.3372 126.1012 55.6929 30.9630 174.3374 144 S 4.6289 7.9870 123.0368 55.5930 63.5425 173.4831 145 P 4.3741 0.0000 0.0000 65.2219 31.6758 178.4241 146 N 4.2125 7.8655 115.5521 54.9839 37.4123 174.9431 147 I 3.5891 7.3223 119.9593 60.6000 36.2066 175.5558 148 V 4.2564 7.9550 118.3966 60.8659 33.3106 176.1587 149 I 4.4709 7.4100 119.8329 59.5202 38.6573 175.3878 150 F 4.3191 9.0895 123.3442 57.5643 38.9574 176.0099 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 M 8.29 4.54 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 D 8.44 5.01 0.00 2.89 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 3 E 9.54 4.01 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 4 I 7.81 3.73 2.07 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 1.64 0.53 0.92 0.00 0.00 5 D 8.45 4.39 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 6 L 7.87 4.04 0.00 1.93 1.73 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.93 3.97 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 8 I 7.70 3.76 2.05 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 1.52 0.79 0.93 0.00 0.00 9 L 8.27 3.96 0.00 1.65 1.69 0.90 0.76 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 10 K 8.07 4.08 0.00 1.92 2.02 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.71 7.81 11 I 7.39 4.09 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.90 0.00 0.00 12 L 8.24 4.29 0.00 1.70 1.78 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.25 4.04 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.49 1.72 0.00 14 Y 7.30 4.65 0.00 3.28 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 15 N 8.42 4.72 0.00 2.67 2.93 0.00 0.00 7.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.67 4.42 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.95 4.44 0.00 1.79 1.78 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 18 Y 7.78 4.23 0.00 3.02 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 19 S 9.24 4.53 0.00 4.08 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 20 L 8.43 4.02 0.00 1.69 1.77 0.94 1.02 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 21 D 8.08 4.36 0.00 2.78 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 22 E 7.91 3.92 0.00 2.12 1.92 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 2.40 2.43 0.00 23 I 7.59 3.49 1.84 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 1.25 0.81 0.86 0.00 0.00 24 A 8.34 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.81 3.86 0.00 2.04 1.97 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 26 E 8.12 4.02 0.00 1.81 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 2.24 2.23 0.00 27 I 7.89 4.06 1.86 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 1.74 0.75 0.88 0.00 0.00 28 R 8.22 3.82 0.00 1.99 2.10 0.00 3.31 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 29 I 7.23 4.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.92 0.00 0.00 30 P 0.00 4.34 0.00 2.18 2.01 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 31 K 8.79 3.85 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.52 7.81 32 S 8.02 4.19 0.00 4.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.75 3.98 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 1.27 0.00 0.00 34 L 8.21 3.94 0.00 1.76 1.89 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.42 4.08 0.00 4.00 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 36 Y 8.09 4.07 0.00 3.14 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 37 R 8.23 3.71 0.00 2.05 1.95 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 38 I 8.01 3.73 1.88 0.00 0.00 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 1.55 0.79 0.98 0.00 0.00 39 K 8.01 4.11 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.69 7.81 40 K 7.84 3.84 0.00 1.27 1.60 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.36 7.81 41 L 7.91 3.95 0.00 1.86 1.66 0.90 0.68 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 42 E 8.05 4.22 0.00 2.18 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 2.54 0.00 43 K 7.88 4.04 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.61 7.81 44 D 8.23 4.69 0.00 2.63 2.68 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 0.00 0.00 0.00 45 G 7.69 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 46 V 7.92 3.54 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 0.75 0.00 0.00 0.91 0.00 0.00 47 I 7.40 4.07 1.76 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 1.25 0.95 0.41 0.00 0.00 48 K 8.47 4.06 0.00 1.63 1.84 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 G 6.20 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 50 Y 8.14 4.37 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 51 Y 8.26 5.10 0.00 2.94 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 52 A 8.53 4.40 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 53 Y 8.55 4.36 0.00 2.91 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 54 I 7.48 4.00 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.79 0.00 0.00 55 N 8.35 4.20 0.00 2.74 2.65 0.00 0.00 7.21 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 56 P 0.00 4.15 0.00 2.13 2.02 0.00 3.54 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 1.99 1.95 0.00 57 A 7.92 4.05 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 58 S 7.98 4.22 0.00 3.97 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 59 L 7.44 4.51 0.00 1.70 1.65 0.85 0.99 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 60 N 8.00 4.27 0.00 2.98 2.91 0.00 0.00 7.03 6.15 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 61 L 7.71 5.10 0.00 1.66 1.63 0.86 0.72 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 62 D 8.45 4.54 0.00 2.74 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 63 Y 8.54 4.32 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 4.89 1.81 0.00 0.00 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 1.33 0.90 0.96 0.00 0.00 65 V 8.53 4.81 1.88 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 0.21 0.00 0.00 0.94 0.00 0.00 66 I 8.46 4.78 1.83 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 1.19 0.66 0.89 0.00 0.00 67 T 9.05 5.17 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 1.48 0.00 0.00 68 S 9.13 5.17 0.00 3.79 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 69 V 9.08 4.90 2.27 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 1.11 0.00 0.00 1.06 0.00 0.00 70 K 9.22 4.88 0.00 1.80 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 71 A 8.41 5.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.53 4.23 0.00 1.81 1.36 0.00 1.58 0.00 0.00 1.04 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.42 7.81 73 Y 8.71 4.38 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.38 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 75 K 7.79 3.51 0.00 0.79 0.74 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.16 1.06 7.81 76 N 7.86 4.97 0.00 2.59 2.76 0.00 0.00 6.90 7.56 0.00 0.00 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 Y 7.60 4.38 0.00 3.25 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 78 H 8.40 4.19 0.00 3.14 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.81 3.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.90 0.00 0.00 80 E 8.24 3.97 0.00 2.18 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 2.33 2.43 0.00 81 L 8.34 3.96 0.00 1.81 1.84 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.77 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 0.00 0.00 0.00 83 N 7.58 4.35 0.00 2.78 2.86 0.00 0.00 7.12 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 84 K 7.82 4.08 0.00 1.86 1.76 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.68 7.81 85 L 7.98 3.89 0.00 1.63 1.64 0.52 0.66 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 86 A 7.74 4.10 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 87 Q 7.44 4.29 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 88 I 7.20 4.03 2.11 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 1.13 0.00 0.00 89 P 0.00 4.58 0.00 2.17 2.07 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 90 G 9.13 3.74 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 0.00 0.00 0.00 91 V 7.58 4.32 2.32 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 0.83 0.00 0.00 1.28 0.00 0.00 92 W 8.53 4.82 0.00 3.35 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 93 G 7.08 3.67 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 0.00 94 V 7.70 4.84 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 0.85 0.00 0.00 0.84 0.00 0.00 95 Y 9.19 5.04 0.00 2.97 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 96 F 9.08 4.98 0.00 2.93 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 97 V 7.65 4.51 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 0.61 0.00 0.00 0.72 0.00 0.00 98 L 8.34 4.34 0.00 1.62 1.63 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.25 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 0.00 100 D 7.93 4.37 0.00 2.69 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 0.00 101 N 8.15 4.46 0.00 2.87 2.98 0.00 0.00 7.07 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 0.00 102 D 6.24 4.33 0.00 2.89 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 0.00 103 F 8.86 5.29 0.00 3.07 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 0.00 104 I 9.02 4.96 2.00 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 1.12 0.70 0.94 0.00 0.00 105 V 9.13 4.77 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 1.09 0.00 0.00 1.03 0.00 0.00 106 M 8.68 4.81 0.00 1.03 0.57 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.34 0.00 107 A 8.51 5.07 1.08 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 0.00 108 R 8.21 5.01 0.00 1.57 1.75 0.00 3.07 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 109 Y 8.90 4.95 0.00 3.11 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 0.00 110 K 9.47 4.76 0.00 1.86 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.79 1.40 7.81 111 T 7.53 4.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 R 7.97 2.51 0.00 1.31 1.71 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 113 E 8.00 3.88 0.00 2.04 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 2.37 2.40 0.00 114 E 8.04 3.85 0.00 2.11 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 0.00 2.52 2.39 0.00 115 F 8.10 3.09 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.20 3.60 0.00 1.94 2.13 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 2.63 2.95 0.00 117 E 7.88 3.77 0.00 1.92 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 2.26 2.28 0.00 118 K 8.03 4.11 0.00 1.62 1.92 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 119 F 7.78 4.35 0.00 2.87 2.49 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 0.00 120 L 6.83 3.68 0.00 1.05 1.32 1.05 1.04 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 0.00 121 E 7.87 3.94 0.00 1.87 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 2.25 2.40 0.00 122 R 7.56 3.91 0.00 1.78 1.73 0.00 3.00 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 123 V 7.46 3.38 1.70 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 0.88 0.00 0.00 0.05 0.00 0.00 124 M 8.19 4.09 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 125 S 7.39 4.64 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.34 4.12 1.86 0.00 0.00 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 1.20 1.03 0.89 0.00 0.00 127 P 0.00 4.21 0.00 1.96 2.06 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 128 E 7.95 3.94 0.00 1.74 1.80 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 2.28 2.22 0.00 129 V 7.29 4.17 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 0.74 0.00 0.00 0.87 0.00 0.00 130 E 9.25 4.46 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 2.32 2.35 0.00 131 R 7.65 4.93 0.00 1.77 1.78 0.00 3.33 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 132 T 8.29 5.23 4.35 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 0.00 0.00 0.00 1.25 0.00 0.00 133 S 9.14 4.49 0.00 3.91 3.75 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 0.00 134 T 8.69 4.91 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 1.13 0.00 0.00 135 Q 9.06 4.44 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 136 V 8.17 3.91 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 0.29 0.00 0.00 0.68 0.00 0.00 137 V 8.42 3.77 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 0.80 0.00 0.00 0.90 0.00 0.00 138 V 8.33 4.20 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 0.73 0.00 0.00 0.89 0.00 0.00 139 K 7.63 4.24 0.00 1.66 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.44 7.81 140 I 8.22 4.31 1.89 0.00 0.00 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 1.44 0.74 0.95 0.00 0.00 141 I 8.28 3.94 1.89 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 1.31 0.35 0.92 0.00 0.00 142 K 7.64 4.48 0.00 1.70 1.66 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 143 E 8.34 4.63 0.00 1.96 1.84 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 2.18 2.38 0.00 144 S 7.99 4.63 0.00 3.79 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 0.00 145 P 0.00 4.37 0.00 2.18 2.22 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 146 N 7.87 4.21 0.00 2.65 2.85 0.00 0.00 6.07 7.81 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 0.00 147 I 7.32 3.59 1.54 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 -0.10 0.00 0.00 148 V 7.95 4.26 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 0.72 0.00 0.00 0.85 0.00 0.00 149 I 7.41 4.47 2.00 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 1.44 0.59 0.95 0.00 0.00 150 F 9.09 4.32 0.00 2.99 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