NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4120 8.2893 120.3486 55.3613 33.1157 174.7434 2 N 4.6531 8.5870 124.0276 51.5002 38.9045 172.9887 3 I 4.6086 8.7894 121.0650 59.5931 41.9681 176.2911 4 I 4.3856 8.3230 123.7056 59.6215 38.6484 175.1218 5 K 4.4536 8.6206 124.8106 54.3953 34.0487 176.1985 6 A 4.5802 8.3821 126.2988 50.7571 20.9826 175.0143 7 N 5.0472 8.2311 117.0643 51.9678 41.4202 174.9240 8 V 3.8805 8.1673 114.0530 62.4810 32.3201 176.7232 9 A 4.3004 8.1952 123.6652 52.0209 18.7964 177.9468 10 A 4.6185 8.2368 121.9434 51.2744 21.7252 174.1127 11 P 4.7536 0.0000 0.0000 64.8433 32.1836 178.8863 12 D 4.6486 8.0652 115.5173 54.2863 40.5428 175.7808 13 A 4.6102 7.6667 124.5547 51.8984 20.0615 178.2804 14 R 4.8295 9.4904 121.0118 55.1043 32.6349 175.6834 15 V 4.9355 8.8005 124.2967 59.9914 34.8614 173.9310 16 A 4.8392 8.4350 128.5128 50.0792 21.4414 175.1978 17 I 4.7383 8.6369 124.1200 59.6133 39.4539 174.7161 18 T 4.8527 8.6559 117.8910 59.9374 70.8329 173.3907 19 I 5.2022 8.3892 126.3393 58.2098 40.7421 174.3976 20 A 5.0462 8.4264 127.6457 51.1585 19.2899 177.9391 21 R 4.4037 9.3759 119.8717 58.5898 30.2001 177.0417 22 F 4.6163 8.1493 120.9125 60.1118 39.6300 174.3871 23 N 4.6715 9.8640 123.7539 54.4646 35.6303 176.0140 24 Q 4.1543 8.4023 120.5180 59.5885 28.0238 178.1089 25 F 3.8656 8.5085 121.3314 61.0847 39.4081 176.4873 26 I 4.2182 8.3029 118.8433 63.8089 37.6480 177.7258 27 N 4.3628 8.3177 116.6216 56.4071 38.2652 176.9803 28 D 4.4590 8.7897 120.8479 57.5955 40.9888 178.7946 29 S 4.0891 7.9603 113.0648 60.8963 62.4429 175.4227 30 L 4.0504 7.8233 123.3566 58.6951 41.6747 178.2599 31 L 3.8355 8.4718 120.4139 57.8017 41.8955 178.6418 32 D 4.5066 8.4917 118.4695 57.3381 40.9948 179.6993 33 G 3.6095 8.1461 105.7645 47.8291 0.0000 175.1672 34 A 3.9933 7.9254 123.4033 54.6964 18.4227 179.4054 35 V 3.4569 7.9664 116.5970 66.2537 31.5690 177.4207 36 D 4.2846 8.1856 117.2266 57.9198 40.9455 177.5569 37 A 3.8533 8.4405 120.5902 55.9274 18.2819 179.1332 38 L 3.7947 8.6700 115.4869 59.4211 41.9160 179.8409 39 T 4.1969 8.3720 111.0764 63.9444 68.5438 176.1805 40 R 3.8573 8.1573 124.2057 58.3233 30.7395 178.1174 41 I 4.0712 8.1400 117.2988 63.4699 37.8083 177.0808 42 G 3.7595 7.9407 106.5485 45.1161 0.0000 173.9847 43 Q 3.6737 8.2454 119.8593 56.4742 28.0543 172.8214 44 V 3.9005 7.5396 116.9619 61.9512 32.1931 175.2096 45 K 4.2471 8.5911 128.9513 56.2629 32.4952 176.6960 46 D 4.6587 8.8245 124.0789 54.1225 39.0500 176.1549 47 D 4.8195 7.9861 117.1055 53.7028 40.1533 176.3009 48 N 4.7026 8.5262 117.8308 53.7629 39.4660 174.2075 49 I 4.8808 7.6276 120.1161 60.4751 38.1749 175.2283 50 T 4.7097 8.8335 117.6165 59.6855 71.8520 173.0950 51 V 4.6117 8.3783 123.4981 61.0748 34.0960 174.5639 52 V 4.3005 9.0553 129.0848 60.8065 33.6801 174.4850 53 W 4.9078 8.9634 129.0989 56.5347 29.5351 176.5789 54 V 4.3541 8.7133 119.1366 59.1066 33.7671 174.7525 55 P 4.3416 0.0000 0.0000 65.0636 31.2980 177.2888 56 G 4.4108 7.9774 108.4045 42.9658 0.0000 174.0343 57 A 4.0805 8.4608 120.3105 54.6871 18.1208 179.2050 58 Y 4.2020 8.1457 117.1180 60.6098 39.2787 177.3155 59 E 4.1125 8.1600 118.8561 57.9231 29.6454 178.4991 60 L 3.8968 7.5402 119.5003 58.1684 41.6043 177.0748 61 P 4.1828 0.0000 0.0000 64.7154 31.1380 178.0008 62 L 3.9297 7.6878 117.9988 58.4543 42.3494 179.2325 63 A 3.9840 7.8060 120.0648 55.6397 18.2971 179.8253 64 T 3.8157 8.0880 108.2305 64.5835 68.7193 176.0763 65 E 3.8437 8.9563 122.9740 59.1703 29.5625 178.2988 66 A 4.0008 8.0476 120.6017 55.6109 18.1893 179.5466 67 L 4.0673 7.6000 114.9095 58.0233 41.9657 179.4730 68 A 4.2395 8.3590 120.8449 55.0626 18.2013 179.8304 69 K 3.9465 8.3060 116.5096 59.5497 32.1385 178.8585 70 S 4.2093 8.1369 113.1845 59.7135 61.0611 175.8288 71 G 3.9551 8.2572 107.9604 45.4729 0.0000 175.0964 72 K 3.8858 7.7779 120.3356 58.1324 32.3622 176.2245 73 Y 5.0426 6.8710 115.0321 56.2370 40.4548 175.3893 74 D 4.7122 9.3435 122.1536 55.9205 41.7547 176.3725 75 A 4.5254 7.3116 117.7827 51.2945 22.4852 175.0766 76 V 4.7244 8.2688 119.9655 61.0355 34.5955 174.5127 77 V 4.3319 8.6485 128.1777 61.5864 33.3427 174.1903 78 A 4.9513 8.5303 130.1944 49.6687 20.8711 175.1171 79 L 5.3165 7.8793 123.1267 52.7015 44.3888 176.3998 80 G 4.1787 7.6936 108.3584 46.2429 0.0000 171.8921 81 T 5.0664 8.1752 116.3679 61.5033 71.9677 174.4609 82 V 4.2165 8.9700 125.1827 61.3474 34.1220 173.8461 83 I 4.7841 8.1819 128.6876 59.5488 38.6675 175.9943 84 R 3.6608 8.5438 127.9575 56.6027 30.2792 176.3386 85 G 4.4282 8.3518 116.1387 44.2892 0.0000 172.9352 86 G 3.6380 8.7906 107.6659 47.5093 0.0000 173.3311 87 T 4.5227 7.5980 108.3410 59.7188 71.4822 173.5053 88 A 4.4799 8.3667 121.2794 52.7352 18.8787 178.6104 89 H 4.2619 8.3822 119.9822 60.3513 29.7279 176.8750 90 F 4.0175 8.4953 121.8934 61.5912 39.0787 176.7001 91 E 3.5913 8.0036 118.4361 59.5012 29.3912 178.4070 92 Y 4.2930 7.3410 116.0134 60.8500 38.1740 177.5216 93 V 3.6786 7.6799 119.2381 65.8296 31.5731 177.7668 94 A 4.0872 7.8162 120.2214 55.4511 18.0851 179.3829 95 G 3.6728 8.0645 104.6056 47.4911 0.0000 175.9001 96 G 3.8857 8.7574 108.2708 45.8677 0.0000 174.7178 97 A 4.2724 7.6995 122.4118 54.3654 19.6716 179.1709 98 S 4.1943 8.2821 111.8689 61.8367 62.3760 176.2415 99 N 4.4310 8.4991 119.4053 55.9449 38.3311 177.4057 100 G 3.7491 7.7326 106.9393 48.0472 0.0000 175.4673 101 L 3.9942 8.0271 121.6558 57.3104 41.8583 179.5739 102 A 3.9999 8.1061 120.5645 55.0875 18.2448 179.6298 103 S 3.9618 8.3107 111.7522 61.5417 62.4937 176.1762 104 V 3.5551 7.8237 120.7455 66.2554 31.1695 177.7606 105 A 4.3741 7.8316 121.1470 54.8173 18.0122 179.4238 106 Q 3.9312 7.6597 116.3799 59.2003 29.1510 177.8777 107 D 4.5174 8.0450 119.3967 57.1559 41.2440 178.5741 108 S 4.3269 8.2515 112.7138 58.8252 63.3911 175.6112 109 G 3.8975 8.0279 109.3593 45.7631 0.0000 173.8087 110 V 3.9572 7.5331 121.0218 61.6531 32.9711 173.6087 111 P 4.5684 0.0000 0.0000 62.6792 32.4895 175.1506 112 V 4.8225 8.4002 123.5694 61.0242 34.0208 174.2410 113 A 4.4450 8.8796 130.4034 50.9577 20.3990 176.2627 114 F 4.7975 9.0219 126.6808 56.2539 38.4630 175.8891 115 G 3.9786 8.0916 118.3068 44.9916 0.0000 171.0471 116 V 4.5476 6.1165 117.8108 60.5310 33.6683 176.0422 117 L 4.2571 8.7276 129.5250 55.1639 42.7475 176.6996 118 T 5.0218 8.5063 112.9182 59.8976 68.8578 172.5800 119 T 4.6102 8.7167 120.9542 60.9501 71.9892 175.2398 120 E 4.0509 9.8927 121.0839 57.3696 30.4081 177.3282 121 S 4.7195 7.5982 111.9843 55.5558 67.6528 174.8003 122 I 3.6788 8.2234 123.2188 64.3093 36.6100 177.9404 123 E 3.9244 8.2077 118.9567 59.7781 29.6174 178.6900 124 Q 4.2796 8.0891 117.3865 58.7972 28.8043 178.4788 125 A 4.0100 7.7941 121.6699 55.4754 18.2590 179.6918 126 I 3.7488 7.9014 118.1022 64.7243 37.1303 178.5405 127 E 4.5493 8.0538 120.2085 58.0597 29.2676 178.4194 128 R 4.5470 7.9041 115.6335 55.6405 30.5010 176.6535 129 A 4.8107 7.2301 121.7217 52.6415 19.5069 177.2285 130 G 4.4636 8.0924 107.7791 48.1909 0.0000 175.3896 131 T 4.6262 7.4927 115.4531 60.1088 68.8086 175.7250 132 K 3.7888 9.2470 117.1134 59.3701 31.7403 177.7646 133 A 4.5485 7.7717 119.2109 52.1063 19.9533 178.9991 134 G 3.7364 8.1282 110.3685 47.3434 0.0000 173.8806 135 N 5.2901 8.2533 118.1456 50.9781 41.0155 175.6266 136 K 4.0158 8.9340 129.0228 59.0604 32.0426 179.1488 137 G 4.0653 8.2724 107.8685 47.3371 0.0000 175.6110 138 A 4.0249 7.8951 123.4009 54.3305 18.4372 179.2459 139 E 3.8581 8.5083 118.0412 59.3346 29.7437 178.8834 140 A 4.0544 8.5318 122.4042 54.4502 18.4401 179.3399 141 A 3.9191 8.2084 119.5347 55.3620 18.3570 179.9634 142 L 3.9316 7.9455 117.6409 58.1700 41.2394 179.8548 143 T 3.8590 8.1153 109.4569 64.7222 68.4930 175.9756 144 A 3.9869 8.0910 123.8226 54.9653 18.2775 179.0230 145 L 3.8621 7.9401 116.4054 58.2744 41.8227 179.3742 146 E 4.0941 8.5615 118.8930 59.9916 29.4290 179.0514 147 M 4.0489 7.9761 118.3226 58.3216 31.9251 178.4416 148 I 3.6962 7.7531 120.0010 64.8094 37.2734 178.1846 149 N 4.3134 7.9384 116.7627 56.2248 38.1602 177.4939 150 V 3.5815 7.8687 118.9390 66.2852 31.7290 177.8269 151 L 4.0775 8.4599 118.8934 57.7023 41.3468 179.3143 152 K 3.9401 8.1781 119.0091 59.5284 32.2488 177.3445 153 A 4.4555 8.1216 120.1156 51.7145 19.1661 177.2783 154 I 3.9095 7.9038 121.0460 63.1565 37.6952 174.0369 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.79 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.58 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 7 N 8.23 5.05 0.00 2.66 2.68 0.00 0.00 6.98 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 8 V 8.17 3.88 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 9 A 8.20 4.30 1.35 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 0.00 0.00 0.00 10 A 8.24 4.62 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 11 P 0.00 4.75 0.00 2.23 2.37 0.00 3.86 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 2.07 1.94 0.00 12 D 8.07 4.65 0.00 2.69 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 13 A 7.67 4.61 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 14 R 9.49 4.83 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.80 4.94 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.43 4.84 0.27 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 17 I 8.64 4.74 1.68 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 1.16 0.87 0.69 0.00 0.00 18 T 8.66 4.85 4.13 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 1.09 0.00 0.00 19 I 8.39 5.20 0.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.12 0.35 0.00 0.00 20 A 8.43 5.05 1.35 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 0.00 0.00 0.00 21 R 9.38 4.40 0.00 2.07 2.51 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.15 4.62 0.00 3.17 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 23 N 9.86 4.67 0.00 2.97 2.99 0.00 0.00 6.87 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 24 Q 8.40 4.15 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.87 0.00 3.15 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 26 I 8.30 4.22 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.82 0.96 0.00 0.00 27 N 8.32 4.36 0.00 2.87 2.93 0.00 0.00 7.07 8.08 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 28 D 8.79 4.46 0.00 2.66 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 29 S 7.96 4.09 0.00 3.82 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 30 L 7.82 4.05 0.00 1.92 1.63 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.47 3.84 0.00 1.76 1.77 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.49 4.51 0.00 2.87 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 33 G 8.15 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 34 A 7.93 3.99 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 35 V 7.97 3.46 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 0.97 0.00 0.00 0.95 0.00 0.00 36 D 8.19 4.28 0.00 2.82 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 37 A 8.44 3.85 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 38 L 8.67 3.79 0.00 1.86 1.71 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.37 4.20 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 1.24 0.00 0.00 40 R 8.16 3.86 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.14 4.07 2.06 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 1.23 0.97 0.91 0.00 0.00 42 G 7.94 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 0.00 0.00 0.00 43 Q 8.25 3.67 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.54 3.90 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 0.93 0.00 0.00 0.99 0.00 0.00 45 K 8.59 4.25 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.66 0.00 2.83 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 47 D 7.99 4.82 0.00 2.78 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 48 N 8.53 4.70 0.00 2.87 3.00 0.00 0.00 6.95 7.50 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 49 I 7.63 4.88 1.88 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 1.40 0.51 0.88 0.00 0.00 50 T 8.83 4.71 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 1.49 0.00 0.00 51 V 8.38 4.61 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 9.06 4.30 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.96 4.91 0.00 3.20 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 54 V 8.71 4.35 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 0.74 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 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 2.16 2.04 0.00 56 G 7.98 4.41 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 0.00 57 A 8.46 4.08 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 Y 8.15 4.20 0.00 2.93 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 59 E 8.16 4.11 0.00 2.03 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 2.60 2.58 0.00 60 L 7.54 3.90 0.00 1.78 1.71 0.89 0.77 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 61 P 0.00 4.18 0.00 2.03 1.86 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.69 3.93 0.00 1.63 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.98 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 64 T 8.09 3.82 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 1.25 0.00 0.00 65 E 8.96 3.84 0.00 1.98 2.19 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 2.31 2.34 0.00 66 A 8.05 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 67 L 7.60 4.07 0.00 1.80 1.69 0.65 0.68 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 68 A 8.36 4.24 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 69 K 8.31 3.95 0.00 1.85 1.90 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 70 S 8.14 4.21 0.00 3.90 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 0.00 71 G 8.26 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 72 K 7.78 3.89 0.00 1.40 1.41 0.00 1.07 0.00 0.00 1.34 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.48 0.21 7.81 73 Y 6.87 5.04 0.00 3.08 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 74 D 9.34 4.71 0.00 2.56 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 75 A 7.31 4.53 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 76 V 8.27 4.72 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 0.93 0.00 0.00 0.86 0.00 0.00 77 V 8.65 4.33 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.53 4.95 1.21 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 0.00 0.00 0.00 79 L 7.88 5.32 0.00 1.38 1.41 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.18 5.07 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 1.19 0.00 0.00 82 V 8.97 4.22 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 0.86 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.78 1.85 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 1.24 0.69 0.88 0.00 0.00 84 R 8.54 3.66 0.00 0.67 1.39 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.35 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 0.00 0.00 0.00 0.00 86 G 8.79 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 87 T 7.60 4.52 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 1.24 0.00 0.00 88 A 8.37 4.48 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 89 H 8.38 4.26 0.00 3.31 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.50 4.02 0.00 3.10 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 91 E 8.00 3.59 0.00 1.95 1.12 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 2.01 2.17 0.00 92 Y 7.34 4.29 0.00 3.00 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 93 V 7.68 3.68 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.82 4.09 0.95 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 95 G 8.06 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 96 G 8.76 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 0.00 0.00 0.00 97 A 7.70 4.27 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 98 S 8.28 4.19 0.00 3.71 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 99 N 8.50 4.43 0.00 2.80 2.83 0.00 0.00 6.95 8.19 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 0.00 100 G 7.73 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 0.00 0.00 0.00 101 L 8.03 3.99 0.00 2.05 1.82 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.11 4.00 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 0.00 103 S 8.31 3.96 0.00 3.97 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 0.00 104 V 7.82 3.56 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 1.02 0.00 0.00 0.96 0.00 0.00 105 A 7.83 4.37 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 0.00 106 Q 7.66 3.93 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.52 0.00 2.70 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 0.00 108 S 8.25 4.33 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.03 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 0.00 110 V 7.53 3.96 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 0.96 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.57 0.00 2.12 1.96 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.82 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.88 4.45 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 0.00 114 F 9.02 4.80 0.00 3.02 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 0.00 115 G 8.09 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 0.00 116 V 6.12 4.55 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 0.68 0.00 0.00 -0.05 0.00 0.00 117 L 8.73 4.26 0.00 1.62 1.58 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.51 5.02 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 1.24 0.00 0.00 119 T 8.72 4.61 4.41 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 1.27 0.00 0.00 120 E 9.89 4.05 0.00 1.94 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 2.32 2.30 0.00 121 S 7.60 4.72 0.00 3.95 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 0.00 122 I 8.22 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.86 0.00 0.00 123 E 8.21 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.09 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 A 7.79 4.01 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 0.00 126 I 7.90 3.75 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.93 0.99 0.00 0.00 127 E 8.05 4.55 0.00 2.26 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 2.34 2.40 0.00 128 R 7.90 4.55 0.00 1.88 1.93 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 129 A 7.23 4.81 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 0.00 130 G 8.09 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 0.00 0.00 0.00 0.00 131 T 7.49 4.63 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 1.23 0.00 0.00 132 K 9.25 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.77 4.55 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 0.00 134 G 8.13 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 0.00 135 N 8.25 5.29 0.00 2.70 2.66 0.00 0.00 6.94 7.24 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 0.00 136 K 8.93 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 4.07 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 0.00 138 A 7.90 4.02 1.36 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 0.00 0.00 0.00 139 E 8.51 3.86 0.00 2.04 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 2.31 2.33 0.00 140 A 8.53 4.05 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 0.00 141 A 8.21 3.92 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 0.00 142 L 7.95 3.93 0.00 2.00 1.72 0.91 0.70 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 0.00 143 T 8.12 3.86 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 1.29 0.00 0.00 144 A 8.09 3.99 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 0.00 145 L 7.94 3.86 0.00 1.87 1.91 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.56 4.09 0.00 2.01 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 2.32 2.38 0.00 147 M 7.98 4.05 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 148 I 7.75 3.70 2.04 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 1.69 0.85 0.92 0.00 0.00 149 N 7.94 4.31 0.00 2.90 2.86 0.00 0.00 6.72 8.55 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 0.00 150 V 7.87 3.58 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 0.83 0.00 0.00 1.00 0.00 0.00 151 L 8.46 4.08 0.00 1.93 1.68 0.93 0.85 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 0.00 152 K 8.18 3.94 0.00 1.84 2.07 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.12 4.46 1.36 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 0.00 0.00 0.00 154 I 7.90 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.91 0.00 0.00