NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2524 8.3193 116.7773 57.5289 65.2536 173.9217 5 V 3.9978 7.1361 129.1706 59.5266 32.4176 169.4592 6 V 3.9334 8.9659 126.1552 62.3918 33.3363 176.5354 7 K 4.6862 8.1227 122.4662 54.3765 35.2865 177.2452 8 S 4.1755 9.0830 120.2308 61.9535 62.7558 176.6378 9 E 4.2703 8.2136 114.5158 58.2262 29.4714 176.5447 10 D 4.7211 8.4266 120.8251 54.4448 40.9551 177.8545 11 Y 4.1243 7.4574 119.7891 59.9881 37.7457 177.3268 12 A 4.2398 6.9604 120.4122 52.6996 19.1440 176.8873 13 L 4.5739 7.3450 115.7598 52.1108 43.3829 174.8879 14 P 4.4105 0.0000 0.0000 62.8596 31.8214 176.1749 15 S 4.8814 8.3185 115.3668 56.4676 65.8581 172.8125 16 Y 4.4666 8.3801 122.3855 56.8882 39.6803 175.1241 17 V 4.2430 6.6767 123.2679 60.5146 34.0812 173.1114 18 D 4.6876 8.4238 123.0989 52.7441 41.7063 176.1645 19 R 4.4823 8.0577 120.0987 54.5529 32.2387 176.1106 20 R 3.6110 8.5954 121.5717 59.0909 30.1506 176.8371 21 D 4.8477 7.9690 114.3265 53.2428 40.6038 176.7142 22 Y 4.8665 8.2195 120.7176 55.9357 39.4366 173.3581 23 P 4.1861 0.0000 0.0000 65.0973 31.8570 176.9812 24 L 4.6036 6.7252 117.2527 51.7389 41.0153 174.3621 25 P 4.5667 0.0000 0.0000 62.4092 31.9105 177.5114 26 D 4.5181 8.6593 118.6586 56.2835 41.1156 176.9726 27 V 4.4999 7.1822 117.5793 60.6637 34.8142 174.5419 28 A 4.3226 8.3671 127.6749 51.8638 19.1895 177.2575 29 H 3.5878 8.8575 121.7884 58.3409 29.9296 175.9187 30 V 4.1007 7.4599 118.9998 61.0344 32.2987 175.0836 31 K 4.1128 8.4645 127.1663 57.2903 32.7824 176.3797 32 N 4.7295 7.8543 115.8459 51.4169 38.7828 174.1456 33 L 4.5247 8.1840 123.7796 53.8523 43.0505 177.8409 34 S 4.5771 8.4087 117.4421 56.7514 66.2990 175.1182 35 A 3.9765 8.4342 122.7216 55.6724 17.9593 179.8431 36 S 4.1102 8.0423 111.9092 61.7665 62.9871 176.5668 37 Q 3.9973 7.9128 121.7228 58.6323 28.3705 178.5911 38 K 4.0772 8.5009 119.7525 59.3326 32.0275 179.2819 39 A 4.0149 7.8667 120.8632 54.8480 18.4230 179.4251 40 L 3.9178 7.9049 118.9116 58.3424 41.9957 179.4046 41 K 4.0174 8.4269 117.4602 59.2272 32.2093 178.5475 42 E 4.1527 7.8952 120.0119 58.9792 29.6157 178.8008 43 K 4.0903 8.1465 118.5229 59.1803 31.8302 178.8185 44 E 4.2752 8.0301 118.7069 58.8303 29.6001 178.3756 45 K 4.2459 7.9337 116.7727 58.6803 32.5686 176.4964 46 A 4.5456 7.6563 122.1243 50.3660 21.4351 176.2184 47 S 4.0107 8.2915 110.8250 58.3198 62.8898 175.7529 48 W 4.7799 8.3503 126.2595 58.7539 29.2189 178.3705 49 S 4.2728 7.8045 114.5923 61.1183 62.3767 175.6045 50 S 4.4153 7.9059 115.2263 59.9650 63.0458 174.7472 51 L 4.4220 7.4143 121.0942 54.3231 42.1053 177.6031 52 S 4.5557 9.2872 118.3199 57.6122 65.4938 175.5429 53 I 3.6705 8.2420 123.1323 64.8940 36.8487 178.3730 54 D 4.4113 8.0937 119.0327 57.4231 40.6561 178.5831 55 E 4.0471 8.0431 118.7375 59.0813 29.4094 179.5044 56 K 3.9448 8.2070 118.8701 59.3475 32.0614 179.5614 57 V 3.5988 8.1506 118.9658 66.0470 31.2461 177.6749 58 E 3.9590 8.0853 117.8788 59.0877 29.7061 178.2261 59 L 4.0471 8.0711 120.4903 58.1431 42.1879 178.3076 60 Y 4.0537 8.1959 119.4713 60.8396 38.6791 177.8905 61 R 4.4018 8.3400 115.7161 57.5854 30.3005 177.8980 62 L 4.2333 7.4898 119.5995 56.6766 42.2553 178.7231 63 K 3.5489 7.4867 118.9667 57.5263 32.2605 176.3887 64 F 5.3093 6.7920 115.3979 55.4212 42.1106 175.3823 65 K 3.7917 9.5216 125.4127 58.6784 32.2758 177.0161 66 E 5.4906 8.3447 115.4417 52.8874 32.9121 176.5427 67 S 5.3485 8.5815 118.0304 57.1027 65.8099 175.3214 68 F 3.8709 9.0571 120.2238 60.7307 38.3779 177.7137 69 A 4.0924 8.1251 118.8545 55.2810 18.6216 179.0103 70 E 4.1547 8.0835 117.1336 59.2921 29.4165 179.0454 71 M 4.2865 8.1242 116.4059 57.3230 31.5028 176.7212 72 N 4.7737 7.7698 115.9141 52.7772 38.8505 175.0570 73 R 4.0319 7.3471 118.1193 56.5137 30.6566 176.0459 74 S 4.7005 8.4894 120.6492 57.4145 64.3393 173.8717 75 T 4.5810 8.2640 114.0135 60.5298 70.9823 173.5442 76 N 4.9182 8.2900 115.8831 53.3326 39.1267 177.1245 77 E 3.9277 8.1068 122.5864 59.1614 29.4979 178.5251 78 W 4.4055 8.4123 116.2965 59.6085 27.8743 178.3549 79 K 2.9300 6.5584 118.7463 59.2794 31.3105 179.4516 80 T 3.7686 7.5105 115.4871 66.3327 68.3983 176.9108 81 V 3.5921 7.8368 120.2113 66.0747 31.6562 178.3352 82 V 3.8172 8.3653 118.6009 65.8774 31.4247 178.1999 83 G 3.5855 8.3558 105.4411 47.8847 0.0000 175.5931 84 A 4.1424 8.3302 123.6583 54.5346 18.3168 179.5105 85 A 4.1437 8.2795 119.3442 55.9127 18.5063 179.8577 86 M 4.1139 8.3572 117.1744 58.3430 31.8739 178.8718 87 F 3.9869 8.3449 120.9132 61.4003 39.4047 177.3395 88 F 4.0260 8.3395 116.1427 60.3948 38.9837 177.5340 89 I 4.0599 8.4575 120.3577 64.2498 36.7405 178.6862 90 G 3.4944 8.3763 107.1704 47.6652 0.0000 175.5856 91 F 3.9566 8.0996 123.1757 61.1311 39.2492 177.3796 92 T 3.7153 7.8949 115.4944 66.3516 68.1315 176.3365 93 A 4.0244 7.7308 122.7244 54.9872 18.2945 179.6662 94 L 3.9109 7.3978 117.7626 57.7295 41.5344 179.5433 95 L 3.9597 7.5343 119.1608 57.3694 41.3800 179.5536 96 L 3.9777 7.6373 118.5630 57.9874 41.6260 179.1261 97 I 3.6997 8.0424 120.1068 64.3189 37.0484 178.3089 98 W 4.2077 8.3920 128.9731 60.3362 30.4756 177.5364 99 E 3.9035 8.5890 119.5009 59.3635 28.8694 178.6328 100 K 3.9756 8.0968 118.4235 59.8656 32.2449 177.6617 101 H 4.2306 7.7638 117.3354 58.0736 29.9597 175.7801 102 Y 4.3494 7.4159 115.6386 57.3292 39.3370 176.4261 103 V 3.9821 7.2724 118.0938 64.3209 32.9425 175.7831 104 Y 4.6090 7.5757 116.6297 57.9039 38.4671 176.1741 105 G 4.0347 8.4117 115.1766 43.9804 0.0000 170.9184 106 P 4.4357 0.0000 0.0000 62.0155 32.3060 176.1055 107 I 3.9570 7.8539 114.1692 59.3343 38.9050 173.7656 108 P 4.2764 0.0000 0.0000 63.0962 31.2333 177.3902 109 H 4.2701 8.5769 116.5391 57.9919 28.4558 176.6724 110 T 2.9754 6.9952 108.7518 62.0390 68.5430 174.8255 111 F 4.4877 7.6195 120.4218 57.8973 40.0175 176.6994 112 E 4.2830 7.7589 119.4993 55.8544 31.3998 177.3231 113 E 3.9869 8.9029 120.4332 59.9943 29.5822 179.0857 114 E 3.9004 8.3540 118.3424 59.2826 29.6156 178.3948 115 W 3.9790 8.3061 127.4091 60.7973 30.9105 178.3438 116 V 3.7932 8.1255 111.7977 64.0662 30.7585 178.5039 117 A 4.0924 8.1018 121.0332 54.8334 18.1650 179.8988 118 K 3.7781 8.0485 117.0001 59.6868 32.1315 179.3440 119 Q 3.8632 8.5259 120.1297 59.6212 28.8939 178.6539 120 T 4.0438 8.1201 116.7778 66.1758 68.4316 176.7718 121 K 3.6224 7.6615 121.6063 59.4685 32.2128 178.7854 122 R 3.8557 8.1362 119.2918 59.7158 29.9379 178.3375 123 M 4.0394 8.2185 118.4690 58.5157 31.8656 178.8247 124 L 4.1360 8.2875 119.3790 57.7007 41.3893 179.4002 125 D 4.4124 8.2312 119.1788 57.1854 40.8857 177.7096 126 M 4.2987 8.1429 114.6284 54.4317 31.9403 176.0610 127 K 3.8970 7.8013 117.8236 57.3274 30.3695 176.3683 128 V 3.4536 8.0408 118.3940 64.2949 32.3769 174.6109 129 A 4.1250 8.7052 129.1960 52.9213 15.2898 174.9892 130 P 4.6373 0.0000 0.0000 63.6040 32.7287 178.5718 131 I 4.2054 7.7801 119.1959 63.4745 37.8867 175.9931 132 Q 4.6413 7.9773 114.4388 57.3881 35.0295 176.3509 133 G 3.7589 8.4147 105.5427 48.1416 0.0000 172.6958 134 F 4.8311 7.9465 120.2585 59.1682 42.2355 176.9866 135 S 4.1925 9.1818 117.0827 61.2474 63.0730 176.3098 136 A 4.3293 8.1764 121.2097 53.7248 18.4496 177.5943 137 K 4.6708 8.3874 115.2195 55.5452 33.5168 175.3325 138 W 4.8493 8.0412 130.4710 55.5123 33.2466 174.9225 139 D 4.3366 7.8732 127.3349 52.8353 40.3191 176.4036 140 Y 4.3093 8.3183 124.6407 60.9222 38.4160 178.1261 141 D 4.4662 7.9281 118.3141 56.9339 40.9838 177.4142 142 K 4.1724 7.9486 114.5278 55.3086 32.7165 175.9951 143 N 3.9245 7.4676 115.8486 53.3490 36.8172 173.3476 144 E 4.0636 5.9000 113.2173 54.0090 33.7078 175.6622 145 W 4.5963 8.2550 121.0374 56.5009 29.8307 176.3895 146 K 4.0666 8.7841 124.3660 56.8102 32.3633 177.4494 147 K 4.0441 8.2899 121.9927 57.2671 32.9811 175.2280 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 4 S 8.32 4.25 0.00 3.83 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 5 V 7.14 4.00 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 0.63 0.00 0.00 0.93 0.00 0.00 6 V 8.97 3.93 2.12 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 0.85 0.00 0.00 0.98 0.00 0.00 7 K 8.12 4.69 0.00 1.81 1.64 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 S 9.08 4.18 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.21 4.27 0.00 2.07 2.13 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 2.30 2.34 0.00 10 D 8.43 4.72 0.00 2.88 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 11 Y 7.46 4.12 0.00 3.05 3.27 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 12 A 6.96 4.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.34 4.57 0.00 1.75 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.41 0.00 2.07 2.02 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 2.04 2.09 0.00 15 S 8.32 4.88 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.38 4.47 0.00 3.00 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 17 V 6.68 4.24 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 0.61 0.00 0.00 0.85 0.00 0.00 18 D 8.42 4.69 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.48 0.00 1.88 1.91 0.00 2.90 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 20 R 8.60 3.61 0.00 1.82 2.16 0.00 3.27 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 21 D 7.97 4.85 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.22 4.87 0.00 2.91 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 23 P 0.00 4.19 0.00 2.28 2.49 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 24 L 6.73 4.60 0.00 1.58 1.69 0.94 1.16 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 25 P 0.00 4.57 0.00 2.37 1.70 0.00 3.92 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 26 D 8.66 4.52 0.00 2.76 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 27 V 7.18 4.50 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 0.88 0.00 0.00 0.98 0.00 0.00 28 A 8.37 4.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.86 3.59 0.00 2.37 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.46 4.10 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 0.75 0.00 0.00 0.69 0.00 0.00 31 K 8.46 4.11 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 32 N 7.85 4.73 0.00 2.65 2.74 0.00 0.00 6.90 7.85 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 33 L 8.18 4.52 0.00 1.61 1.56 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.41 4.58 0.00 4.07 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 35 A 8.43 3.98 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 36 S 8.04 4.11 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.91 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.50 4.08 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 39 A 7.87 4.01 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 40 L 7.90 3.92 0.00 1.91 1.75 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.43 4.02 0.00 1.88 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.57 7.81 42 E 7.90 4.15 0.00 2.22 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 2.31 2.40 0.00 43 K 8.15 4.09 0.00 2.07 1.90 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.29 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 44 E 8.03 4.28 0.00 2.05 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 0.00 2.57 2.41 0.00 45 K 7.93 4.25 0.00 1.95 1.88 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.66 7.81 46 A 7.66 4.55 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 47 S 8.29 4.01 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.35 4.78 0.00 3.54 3.12 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 49 S 7.80 4.27 0.00 3.84 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 50 S 7.91 4.42 0.00 4.08 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 51 L 7.41 4.42 0.00 1.78 1.63 0.98 0.91 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 52 S 9.29 4.56 0.00 4.01 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 53 I 8.24 3.67 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 1.64 0.65 0.90 0.00 0.00 54 D 8.09 4.41 0.00 2.69 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 55 E 8.04 4.05 0.00 2.26 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 2.34 2.36 0.00 56 K 8.21 3.94 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 V 8.15 3.60 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 1.11 0.00 0.00 0.91 0.00 0.00 58 E 8.09 3.96 0.00 2.14 2.12 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 2.32 2.32 0.00 59 L 8.07 4.05 0.00 2.09 1.64 0.89 0.57 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 60 Y 8.20 4.05 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 61 R 8.34 4.40 0.00 1.86 2.03 0.00 3.49 0.00 0.00 3.52 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 62 L 7.49 4.23 0.00 1.95 1.57 0.90 1.08 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 63 K 7.49 3.55 0.00 1.39 0.84 0.00 1.24 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.45 7.81 64 F 6.79 5.31 0.00 2.53 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 65 K 9.52 3.79 0.00 1.23 2.15 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.96 1.33 7.81 66 E 8.34 5.49 0.00 2.17 1.85 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 2.38 2.21 0.00 67 S 8.58 5.35 0.00 4.13 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.06 3.87 0.00 3.06 3.20 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 69 A 8.13 4.09 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 70 E 8.08 4.15 0.00 2.16 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 2.36 2.36 0.00 71 M 8.12 4.29 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 72 N 7.77 4.77 0.00 2.77 2.88 0.00 0.00 6.94 6.97 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 73 R 7.35 4.03 0.00 1.92 1.92 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 74 S 8.49 4.70 0.00 3.94 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 75 T 8.26 4.58 4.27 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 1.24 0.00 0.00 76 N 8.29 4.92 0.00 2.71 2.68 0.00 0.00 6.43 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 77 E 8.11 3.93 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 78 W 8.41 4.41 0.00 3.72 3.40 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 79 K 6.56 2.93 0.00 1.37 1.33 0.00 1.31 0.00 0.00 1.28 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.51 3.77 4.30 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 1.18 0.00 0.00 81 V 7.84 3.59 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 1.07 0.00 0.00 0.98 0.00 0.00 82 V 8.37 3.82 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 1.11 0.00 0.00 1.31 0.00 0.00 83 G 8.36 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.14 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.28 4.14 1.52 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 86 M 8.36 4.11 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 87 F 8.34 3.99 0.00 3.14 3.15 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 0.00 88 F 8.34 4.03 0.00 3.32 3.15 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 0.00 89 I 8.46 4.06 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.94 0.00 0.00 90 G 8.38 3.49 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 0.00 91 F 8.10 3.96 0.00 2.57 3.03 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 92 T 7.89 3.72 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 1.21 0.00 0.00 93 A 7.73 4.02 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 94 L 7.40 3.91 0.00 1.37 1.54 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.53 3.96 0.00 1.72 1.62 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.64 3.98 0.00 1.86 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.04 3.70 2.02 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 1.40 1.37 0.92 0.00 0.00 98 W 8.39 4.21 0.00 3.47 3.32 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 99 E 8.59 3.90 0.00 2.32 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 1.65 2.19 0.00 100 K 8.10 3.98 0.00 1.82 2.00 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 101 H 7.76 4.23 0.00 3.00 2.94 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.42 4.35 0.00 1.52 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 0.00 0.00 0.00 0.00 103 V 7.27 3.98 1.86 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 0.69 0.00 0.00 0.76 0.00 0.00 104 Y 7.58 4.61 0.00 3.11 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 0.00 105 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.44 0.00 2.16 2.02 0.00 3.74 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 1.95 1.92 0.00 107 I 7.85 3.96 1.49 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.59 0.00 0.00 108 P 0.00 4.28 0.00 2.30 1.92 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 109 H 8.58 4.27 0.00 3.26 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.00 2.98 3.43 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 -0.28 0.00 0.00 111 F 7.62 4.49 0.00 3.15 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 0.00 112 E 7.76 4.28 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 113 E 8.90 3.99 0.00 2.09 2.13 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 2.47 2.45 0.00 114 E 8.35 3.90 0.00 2.14 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 2.45 2.47 0.00 115 W 8.31 3.98 0.00 3.58 3.03 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 0.00 116 V 8.13 3.79 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 0.96 0.00 0.00 1.03 0.00 0.00 117 A 8.10 4.09 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 0.00 118 K 8.05 3.78 0.00 1.57 1.58 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.31 7.81 119 Q 8.53 3.86 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 120 T 8.12 4.04 4.30 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 1.53 0.00 0.00 121 K 7.66 3.62 0.00 1.85 1.78 0.00 1.73 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.50 7.81 122 R 8.14 3.86 0.00 1.80 1.84 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 123 M 8.22 4.04 0.00 2.00 2.35 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 124 L 8.29 4.14 0.00 1.42 1.25 -0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.23 4.41 0.00 2.75 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 0.00 126 M 8.14 4.30 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 127 K 7.80 3.90 0.00 1.86 1.98 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.45 7.81 128 V 8.04 3.45 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 0.91 0.00 0.00 0.92 0.00 0.00 129 A 8.71 4.12 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 0.00 130 P 0.00 4.64 0.00 2.28 2.41 0.00 3.83 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 131 I 7.78 4.21 1.92 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 1.46 0.62 0.95 0.00 0.00 132 Q 7.98 4.64 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.41 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 0.00 134 F 7.95 4.83 0.00 3.09 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 0.00 135 S 9.18 4.19 0.00 4.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.18 4.33 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 0.00 137 K 8.39 4.67 0.00 1.96 1.88 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 138 W 8.04 4.85 0.00 2.91 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 0.00 139 D 7.87 4.34 0.00 2.36 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 0.00 0.00 0.00 0.00 140 Y 8.32 4.31 0.00 3.09 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 0.00 141 D 7.93 4.47 0.00 2.80 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 K 7.95 4.17 0.00 1.50 1.66 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 143 N 7.47 3.92 0.00 2.74 2.82 0.00 0.00 6.68 8.90 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 0.00 144 E 5.90 4.06 0.00 1.74 1.69 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 1.88 1.95 0.00 145 W 8.25 4.60 0.00 3.16 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 0.00 146 K 8.78 4.07 0.00 1.77 1.75 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.38 7.81 147 K 8.29 4.04 0.00 1.68 1.63 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81