NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4375 8.3344 115.4209 57.4466 64.1266 176.3935 7 F 4.6631 7.8660 113.4459 56.8236 41.8000 171.2482 8 F 4.3228 8.8590 124.6325 55.8979 43.6212 174.3427 9 T 4.5923 7.7656 120.7461 61.7360 70.4949 176.3214 10 V 3.6107 8.4300 115.1002 64.6882 31.5146 178.8790 11 K 4.0610 8.1237 117.3173 58.4549 31.9226 176.9720 12 D 4.8192 8.1709 118.0929 53.6530 41.0401 176.2487 13 V 4.1599 7.8323 119.2277 60.6740 34.0519 174.2801 14 A 3.9329 8.9094 130.0384 52.7098 18.4168 177.7442 15 A 4.2290 8.7883 124.9139 55.2938 18.2217 178.8853 16 A 4.1685 8.1282 118.5555 55.2672 18.1178 178.7737 17 D 4.4673 8.4649 116.9298 57.1823 41.3992 178.2838 18 F 4.2098 8.1811 120.6900 61.5393 39.4673 177.0295 19 I 3.5876 8.7825 119.6906 64.1812 36.6707 178.0314 20 R 3.9926 7.6376 117.0489 58.0369 29.9873 177.2807 21 E 4.3422 8.3399 117.9759 58.9515 30.1051 177.5374 22 Y 4.2326 7.3177 118.5127 60.1719 38.6043 177.0432 23 A 4.0870 8.0639 122.0982 55.3200 18.5541 179.4251 24 S 4.2208 7.9713 111.9616 61.8382 62.7084 176.0341 25 H 3.6284 8.0379 119.8957 58.1953 28.5644 176.8105 26 L 4.4864 7.8625 118.5375 55.8609 41.9004 178.8284 27 K 4.2488 9.1084 120.8746 59.1203 31.9509 179.1268 28 K 3.8512 8.0625 117.1375 59.8330 32.4872 177.7683 29 A 4.0724 7.7215 121.3238 53.1933 18.9909 177.4786 30 N 4.7066 8.0001 113.6701 53.5250 36.6961 176.4537 31 K 3.8669 8.0511 121.8470 59.6072 33.1491 178.0161 32 L 4.5675 6.8412 120.9977 56.6380 42.0132 177.0529 33 S 4.6281 8.7905 100.6530 58.1553 63.5235 173.2866 34 I 3.0108 7.5614 127.2862 60.5407 35.6507 173.4627 35 P 3.8212 0.0000 0.0000 61.7283 30.8559 176.1329 36 E 3.8842 7.7906 119.2601 58.8000 29.9007 178.3736 37 F 4.4319 7.7259 115.2151 59.9244 38.0291 176.2884 38 T 4.0220 6.1638 116.3895 65.8284 68.1967 175.2859 39 Q 4.1413 8.4928 125.4806 59.5346 29.0978 180.1350 40 W 4.4036 7.9310 127.3040 57.8578 29.8455 175.9106 41 T 3.3966 8.9228 109.5863 65.4731 66.1514 173.1646 42 T 4.4817 8.1518 118.8012 62.5838 70.5540 173.0972 43 T 3.6902 7.4805 121.4886 62.9700 69.8721 173.7902 44 S 3.9819 8.0969 118.5923 59.3213 65.3333 173.1236 45 V 3.0990 8.8163 126.3594 62.5484 28.7656 173.5611 46 A 4.3450 8.6530 123.6144 51.9661 20.4691 176.4154 47 R 4.4667 7.9564 122.8037 56.3428 33.2518 173.5674 48 E 3.9884 8.4358 118.2597 58.0022 29.5278 176.5773 49 L 4.3701 7.8400 123.2558 53.8555 44.2716 176.2516 50 A 4.5755 8.4424 124.9723 50.3574 18.9568 175.6775 51 P 4.2197 0.0000 0.0000 63.3861 31.7136 175.8119 52 Q 4.3886 8.4634 115.7703 57.6215 30.0875 176.3026 53 D 4.4862 8.0004 116.3528 54.0849 41.9007 175.9238 54 S 4.4407 8.8718 121.3897 61.6039 62.8366 174.7142 55 D 4.7424 8.3835 119.0788 54.1188 40.4743 177.9928 56 W 4.3797 8.0989 121.0189 59.9736 27.4855 178.0553 57 V 3.4021 6.6738 118.2274 66.0975 30.7575 177.5419 58 Y 3.9910 8.4362 116.4902 61.0746 37.6458 178.2651 59 I 3.7769 7.9543 120.2564 64.4894 37.1883 178.2816 60 R 4.0764 8.6240 119.1207 59.7971 30.0347 179.2637 61 T 3.8366 7.9277 114.9751 66.7170 68.1252 176.4768 62 A 3.5272 8.5899 123.6067 55.3959 18.2986 179.5847 63 A 4.0509 8.4711 119.1018 54.8714 18.6444 179.3928 64 L 3.7582 8.2734 119.0328 58.2410 41.9531 179.2543 65 A 4.0827 8.2073 120.9159 55.0290 17.9432 179.4844 66 R 3.9106 7.7305 116.9916 59.4399 30.1190 178.9148 67 K 3.8734 8.9267 118.8219 59.6962 31.9578 179.6616 68 V 3.7883 7.7090 116.7967 65.8851 31.4988 176.9689 69 Y 4.4476 8.2328 118.1341 59.2751 38.6439 176.3772 70 L 4.3609 7.1377 117.8316 54.9948 44.5596 177.0763 71 K 4.4756 8.2254 120.7069 53.3763 31.4881 172.9166 72 P 4.2484 0.0000 0.0000 64.2145 32.0690 177.4757 73 H 4.9676 8.5623 117.3893 57.0785 27.2043 175.7180 74 T 4.0228 7.4293 116.4466 63.6245 68.9626 174.2061 75 G 4.1924 8.2170 110.0026 42.8510 0.0000 174.0792 76 I 3.6983 8.2786 120.0899 64.7846 37.0777 178.7627 77 S 4.1939 8.0229 114.3205 61.2880 62.6376 176.4934 78 T 4.1302 7.6619 119.2078 66.3940 68.8306 176.7180 79 L 3.7911 8.4613 121.1812 57.6112 41.5831 179.2610 80 K 3.5375 8.3879 120.0395 59.8509 31.8782 178.4367 81 H 4.5069 7.7505 115.3180 59.0561 28.7720 177.7164 82 I 3.8208 8.6962 121.5828 64.1500 37.0851 177.8857 83 F 4.7100 8.5388 114.8878 57.0807 38.1267 173.3553 84 G 3.5312 9.3418 109.9180 45.3353 0.0000 171.9906 85 S 4.3399 7.7317 119.3648 56.0197 65.9708 171.8484 86 N 5.2472 8.7527 124.9016 51.6026 41.7919 173.2484 87 K 4.4069 8.6131 125.7685 54.6639 34.7966 175.1127 88 D 4.7930 8.7038 127.7763 53.6761 39.5060 176.3501 89 R 4.2470 8.1236 121.7355 56.4928 32.2372 176.9520 90 G 4.0806 8.2531 106.8287 44.6265 0.0000 175.0408 91 N 4.4505 9.3742 116.1639 56.0795 39.5070 175.9008 92 L 4.0452 7.7268 116.9879 54.3057 42.1121 177.2267 93 R 3.9647 8.5192 122.2417 56.2475 30.5635 175.1638 94 N 5.3268 8.3451 115.7851 52.5092 39.3497 175.3425 95 K 4.7391 8.4737 121.7556 54.4935 36.0209 174.8880 96 H 4.7310 8.7768 122.0040 56.3101 30.5765 174.1371 97 Q 4.7836 8.6531 125.5917 54.1602 31.7008 174.7352 98 A 4.4381 8.5138 126.1364 51.0422 19.7655 178.1630 99 C 4.1649 7.8476 126.4246 59.7228 30.9410 173.2989 100 H 4.9456 8.4136 114.4992 53.7645 30.8002 174.8596 101 G 3.5845 8.5032 110.4042 46.7268 0.0000 175.0506 102 K 3.9335 7.8458 122.5045 58.9271 32.2835 178.2721 103 I 4.0287 7.6841 119.1341 64.6890 36.8749 177.8808 104 L 4.0445 7.6557 120.7543 58.3156 41.8733 179.2379 105 R 3.9936 8.1612 115.9230 58.8655 29.1169 178.6017 106 W 4.1010 8.3779 128.8736 60.5445 30.9416 177.5457 107 A 3.5421 8.3840 122.0097 54.4726 17.6041 179.6587 108 L 3.9122 7.6156 116.7538 57.4990 41.7659 179.4556 109 K 3.8354 7.5549 119.9819 59.4901 32.0352 179.0536 110 S 3.8072 7.5232 114.6880 61.3029 62.7268 176.3764 111 L 3.9081 7.5075 121.6573 56.7865 41.2048 179.0177 112 E 4.1671 7.6114 120.8232 58.6681 29.4294 178.3742 113 D 4.3133 7.8493 117.7206 57.0685 40.9305 178.0055 114 L 4.1679 7.4170 116.4687 54.4416 41.7939 176.9289 115 K 3.9182 8.0428 117.6160 57.8816 30.0511 176.5628 116 I 4.3840 7.8167 120.0625 62.3007 40.0859 176.1301 117 I 4.5654 7.8128 121.7279 60.1934 39.4428 175.2085 118 R 4.6158 8.6928 123.6342 54.8327 34.0720 174.2702 119 K 4.8307 8.3848 124.7058 54.5154 32.9120 175.5113 120 D 4.3520 8.7056 126.4722 53.8269 42.2948 177.1116 121 K 4.9250 8.5257 126.6142 56.6345 32.3978 176.0009 122 N 4.7681 8.0560 114.1725 53.9105 42.0957 174.3526 123 S 4.0351 8.0945 121.4920 58.5893 62.5633 175.1719 124 A 4.0974 8.5286 127.9019 54.1463 17.7231 178.3410 125 T 4.1750 7.2990 113.2766 64.3039 69.4536 176.0937 126 K 4.4113 7.3569 122.1728 54.7602 31.3312 174.5241 127 K 4.2436 7.8274 118.8785 58.1203 32.5225 177.2305 128 F 4.0547 9.8054 123.2667 57.1667 37.3908 175.1170 129 S 4.5510 7.8865 116.0252 58.3269 64.5712 173.3430 130 R 4.9649 8.4464 119.8723 55.9112 31.6634 175.7406 131 V 4.8106 8.8559 122.3745 60.7332 35.5367 174.4203 132 I 4.4782 8.5675 118.9317 61.6849 38.1842 174.7969 133 T 4.6565 8.1743 112.8329 59.5203 71.9148 174.9366 134 K 3.9885 8.9540 121.6417 60.1102 31.9753 179.3087 135 E 4.0530 8.1500 117.8926 59.2289 29.0407 179.3346 136 G 3.6943 8.0112 106.0350 48.2386 0.0000 175.6365 137 M 3.6521 8.7960 120.6678 57.6182 31.3504 178.7783 138 T 3.7625 7.5456 117.3629 66.5859 68.5138 175.7612 139 E 3.8403 7.8453 120.8841 59.4403 29.4175 179.0524 140 L 3.8925 7.2121 118.2258 58.0442 41.6655 179.1956 141 N 4.5026 7.8819 115.7385 56.3405 38.4338 177.7567 142 R 4.1825 7.8900 119.0590 59.3388 30.1812 178.8668 143 I 3.6148 7.4384 119.1622 64.4146 36.9743 178.1065 144 A 4.1485 8.5074 121.6896 55.8754 18.3023 179.7910 145 T 3.8013 8.9904 115.0713 66.8346 68.4890 176.6438 146 Q 4.0243 8.7401 121.8667 59.2625 29.1019 178.5450 147 I 3.7204 8.0208 120.6918 64.2092 37.2273 177.8426 148 A 3.7208 8.8487 122.7516 55.5695 18.1985 179.6843 149 I 3.6170 8.2926 117.8771 64.5630 36.9600 178.9357 150 K 4.0649 7.6025 118.0665 59.2437 32.1958 179.1936 151 Q 4.1030 8.0091 118.6766 58.9698 28.4518 178.7687 152 R 3.9859 7.6365 117.7342 58.7731 30.1281 178.4725 153 Q 4.0884 7.7326 118.2704 57.9073 30.3002 176.5277 154 A 4.3548 7.7013 123.9708 53.0617 16.6482 177.3927 155 K 4.5592 7.3997 124.3497 56.2212 32.5337 176.9118 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 6 S 8.33 4.44 0.00 3.81 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 7 F 7.87 4.66 0.00 2.88 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 8 F 8.86 4.32 0.00 2.87 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 9 T 7.77 4.59 4.22 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 1.50 0.00 0.00 10 V 8.43 3.61 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 0.67 0.00 0.00 1.10 0.00 0.00 11 K 8.12 4.06 0.00 1.71 1.85 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 D 8.17 4.82 0.00 2.84 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 13 V 7.83 4.16 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 0.85 0.00 0.00 0.98 0.00 0.00 14 A 8.91 3.93 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 15 A 8.79 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.13 4.17 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 17 D 8.46 4.47 0.00 2.76 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 18 F 8.18 4.21 0.00 3.19 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 19 I 8.78 3.59 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.20 1.05 0.00 0.00 20 R 7.64 3.99 0.00 2.05 2.14 0.00 3.25 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 21 E 8.34 4.34 0.00 1.96 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 0.00 2.23 2.43 0.00 22 Y 7.32 4.23 0.00 2.04 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 23 A 8.06 4.09 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 24 S 7.97 4.22 0.00 4.00 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 25 H 8.04 3.63 0.00 3.49 3.47 0.00 5.60 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 26 L 7.86 4.49 0.00 2.04 1.72 0.45 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.11 4.25 0.00 1.76 1.72 0.00 1.19 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.40 7.81 28 K 8.06 3.85 0.00 1.87 1.96 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.50 7.81 29 A 7.72 4.07 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 30 N 8.00 4.71 0.00 3.14 3.60 0.00 0.00 7.22 6.82 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 31 K 8.05 3.87 0.00 1.76 1.92 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.47 7.81 32 L 6.84 4.57 0.00 1.88 1.56 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.79 4.63 0.00 3.96 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 34 I 7.56 3.01 1.70 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.54 0.00 0.00 35 P 0.00 3.82 0.00 0.63 1.38 0.00 2.35 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 36 E 7.79 3.88 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 37 F 7.73 4.43 0.00 3.27 3.31 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 38 T 6.16 4.02 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 0.98 0.00 0.00 39 Q 8.49 4.14 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 7.22 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 40 W 7.93 4.40 0.00 3.48 3.29 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 41 T 8.92 3.40 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 42 T 8.15 4.48 4.39 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 1.25 0.00 0.00 43 T 7.48 3.69 4.17 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 1.14 0.00 0.00 44 S 8.10 3.98 0.00 3.96 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 45 V 8.82 3.10 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 0.87 0.00 0.00 1.15 0.00 0.00 46 A 8.65 4.34 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 47 R 7.96 4.47 0.00 1.71 1.80 0.00 3.17 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 48 E 8.44 3.99 0.00 1.93 1.78 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 2.26 2.27 0.00 49 L 7.84 4.37 0.00 1.57 1.53 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.44 4.58 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 51 P 0.00 4.22 0.00 2.03 1.70 0.00 3.34 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 52 Q 8.46 4.39 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 53 D 8.00 4.49 0.00 2.71 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 54 S 8.87 4.44 0.00 3.93 3.81 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 55 D 8.38 4.74 0.00 2.68 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 0.00 0.00 0.00 0.00 56 W 8.10 4.38 0.00 3.59 3.81 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 57 V 6.67 3.40 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 -0.49 0.00 0.00 58 Y 8.44 3.99 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.95 3.78 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.06 1.01 0.00 0.00 60 R 8.62 4.08 0.00 2.30 2.18 0.00 3.45 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 61 T 7.93 3.84 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 1.08 0.00 0.00 62 A 8.59 3.53 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 63 A 8.47 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.27 3.76 0.00 1.98 1.90 0.98 1.30 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 65 A 8.21 4.08 1.55 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 66 R 7.73 3.91 0.00 2.11 2.23 0.00 3.33 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 67 K 8.93 3.87 0.00 2.06 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 68 V 7.71 3.79 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 0.82 0.00 0.00 1.01 0.00 0.00 69 Y 8.23 4.45 0.00 2.97 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 70 L 7.14 4.36 0.00 1.55 1.57 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.23 4.48 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 72 P 0.00 4.25 0.00 2.04 2.02 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 73 H 8.56 4.97 0.00 3.36 3.67 0.00 5.62 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 74 T 7.43 4.02 4.28 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 1.25 0.00 0.00 75 G 8.22 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 0.00 0.00 0.00 0.00 76 I 8.28 3.70 1.87 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 1.71 0.65 0.91 0.00 0.00 77 S 8.02 4.19 0.00 4.04 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 0.00 78 T 7.66 4.13 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 1.26 0.00 0.00 79 L 8.46 3.79 0.00 1.76 1.76 1.00 0.57 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 80 K 8.39 3.54 0.00 1.97 1.81 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.34 7.81 81 H 7.75 4.51 0.00 3.66 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.70 3.82 2.02 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 1.65 0.75 1.00 0.00 0.00 83 F 8.54 4.71 0.00 3.30 3.13 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 0.00 84 G 9.34 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.34 0.00 3.03 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.75 5.25 0.00 2.71 2.62 0.00 0.00 6.84 6.68 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 87 K 8.61 4.41 0.00 1.85 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.33 7.81 88 D 8.70 4.79 0.00 2.71 2.55 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 89 R 8.12 4.25 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.49 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 90 G 8.25 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 9.37 4.45 0.00 2.71 2.88 0.00 0.00 6.84 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 92 L 7.73 4.05 0.00 1.63 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.52 3.96 0.00 1.77 1.94 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 94 N 8.35 5.33 0.00 2.59 2.97 0.00 0.00 7.11 7.61 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 95 K 8.47 4.74 0.00 1.66 1.70 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.35 7.81 96 H 8.78 4.73 0.00 3.16 3.25 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.65 4.78 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 98 A 8.51 4.44 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 99 C 7.85 4.16 0.00 1.23 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 0.00 0.00 0.00 100 H 8.41 4.95 0.00 3.15 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.50 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.85 3.93 0.00 1.58 1.41 0.00 1.33 0.00 0.00 1.45 0.00 0.00 2.40 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.40 7.81 103 I 7.68 4.03 2.08 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.02 1.18 0.00 0.00 104 L 7.66 4.04 0.00 2.04 1.67 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.16 3.99 0.00 2.15 2.22 0.00 2.85 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.72 0.00 106 W 8.38 4.10 0.00 3.61 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 0.00 107 A 8.38 3.54 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 0.00 108 L 7.62 3.91 0.00 1.85 1.69 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.55 3.84 0.00 1.70 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 110 S 7.52 3.81 0.00 3.39 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 0.00 111 L 7.51 3.91 0.00 1.71 1.69 0.86 0.68 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 0.00 112 E 7.61 4.17 0.00 2.11 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 2.24 2.33 0.00 113 D 7.85 4.31 0.00 2.73 2.66 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 0.00 114 L 7.42 4.17 0.00 1.73 1.70 0.93 0.80 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 0.00 115 K 8.04 3.92 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 116 I 7.82 4.38 1.89 0.00 0.00 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 1.42 1.04 0.99 0.00 0.00 117 I 7.81 4.57 1.93 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 1.11 1.19 0.92 0.00 0.00 118 R 8.69 4.62 0.00 1.81 1.82 0.00 3.04 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 119 K 8.38 4.83 0.00 1.34 1.28 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.70 7.81 120 D 8.71 4.35 0.00 2.79 2.63 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 0.00 121 K 8.53 4.92 0.00 1.72 1.84 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.23 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.85 1.24 7.81 122 N 8.06 4.77 0.00 2.85 2.71 0.00 0.00 6.82 7.13 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 0.00 123 S 8.09 4.04 0.00 3.95 4.04 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 0.00 124 A 8.53 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 0.00 125 T 7.30 4.18 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 1.21 0.00 0.00 126 K 7.36 4.41 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 127 K 7.83 4.24 0.00 1.76 1.95 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.48 7.81 128 F 9.81 4.05 0.00 2.95 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.89 4.55 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.45 4.96 0.00 1.76 1.87 0.00 3.24 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 131 V 8.86 4.81 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 0.93 0.00 0.00 0.74 0.00 0.00 132 I 8.57 4.48 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 1.10 0.00 0.00 133 T 8.17 4.66 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 1.27 0.00 0.00 134 K 8.95 3.99 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 135 E 8.15 4.05 0.00 1.99 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 2.38 2.36 0.00 136 G 8.01 3.69 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 0.00 0.00 0.00 137 M 8.80 3.65 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 138 T 7.55 3.76 4.32 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 1.14 0.00 0.00 139 E 7.85 3.84 0.00 1.99 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 0.00 2.23 2.15 0.00 140 L 7.21 3.89 0.00 1.53 1.44 0.60 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.88 4.50 0.00 2.88 3.41 0.00 0.00 7.13 7.64 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 0.00 142 R 7.89 4.18 0.00 2.01 1.94 0.00 3.08 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 143 I 7.44 3.61 2.09 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.82 0.00 0.00 144 A 8.51 4.15 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.99 3.80 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 1.58 0.00 0.00 146 Q 8.74 4.02 0.00 2.10 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 147 I 8.02 3.72 2.07 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 1.49 1.10 0.97 0.00 0.00 148 A 8.85 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.29 3.62 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.37 0.96 0.00 0.00 150 K 7.60 4.06 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.79 7.81 151 Q 8.01 4.10 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 152 R 7.64 3.99 0.00 1.78 1.97 0.00 3.20 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 153 Q 7.73 4.09 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.56 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 154 A 7.70 4.35 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 0.00 155 K 7.40 4.56 0.00 1.89 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81