NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4560 8.3331 119.6386 55.8376 30.1438 174.4501 3 G 3.8101 8.4457 110.2619 44.3761 0.0000 171.7321 4 D 4.5442 9.3589 122.4034 53.6027 42.5134 174.0772 5 P 4.3062 0.0000 0.0000 65.7951 31.4396 178.7969 6 D 4.4047 8.9660 118.3067 56.9841 40.6782 179.0329 7 V 3.5651 7.8814 118.4822 66.0002 31.6134 177.8945 8 L 4.0253 7.9888 118.7657 57.7917 41.4489 179.5356 9 R 3.8556 8.0196 118.6949 59.2161 30.0357 178.3697 10 L 3.9441 7.8755 120.0594 58.1506 42.1528 178.8613 11 L 3.9920 8.3142 119.3443 58.0718 41.5794 179.4039 12 N 4.3767 8.4819 116.5308 56.0503 38.3560 177.1838 13 E 3.9419 8.2030 121.0717 59.1437 29.6508 178.6434 14 Q 3.9479 8.2339 119.8314 58.8405 29.1005 177.7316 15 L 3.8369 7.9813 121.4936 58.5078 42.2291 179.1522 16 T 3.7873 7.8766 115.6483 66.5120 68.2280 176.6244 17 S 4.0535 7.7627 114.8388 61.2801 62.4185 176.0942 18 E 3.8633 8.1931 121.3921 59.4196 29.2706 179.3187 19 L 3.9307 7.7581 118.9743 57.8868 41.5130 179.6993 20 T 3.6982 7.6882 114.9872 66.5947 68.4508 176.3448 21 A 3.3468 7.8804 122.6146 55.0043 18.2582 179.5848 22 I 3.4953 7.8870 118.4454 64.5814 37.2029 178.3449 23 N 4.2813 7.8489 116.9109 56.3327 38.3889 177.2070 24 Q 3.8679 8.1027 121.0233 59.5334 29.1950 178.0253 25 Y 4.3973 8.2400 118.1311 61.0519 37.8895 178.2726 26 F 4.0746 8.4818 121.7146 61.1810 39.2956 176.9456 27 L 3.8834 7.9249 118.7929 58.4911 41.9526 178.2944 28 H 4.3431 8.1523 115.4866 58.8648 28.8494 177.6391 29 S 4.4489 8.1336 116.1185 61.1314 62.8016 176.7538 30 K 4.1252 7.4866 119.6789 56.7301 31.5760 178.8565 *32 Q 4.4855 8.0249 120.3286 56.1615 30.7622 177.1691 33 D 4.3238 8.1629 117.3383 57.2440 41.3331 177.7647 34 N 4.3735 7.8661 116.3127 55.6245 39.0482 175.7011 35 W 4.5456 7.7262 116.3349 57.2911 29.5333 176.8962 36 G 3.8863 7.6029 105.2951 45.3948 0.0000 175.1495 37 F 4.8919 7.8544 121.7387 56.8034 35.4588 176.4283 38 T 4.1204 7.6458 112.2322 64.6192 69.2331 176.8395 39 E 3.9986 8.1397 121.4478 59.1178 29.5245 178.9270 40 L 3.9975 8.0396 119.6602 58.1376 42.2935 178.3182 41 A 4.1496 8.3783 120.7937 55.5534 18.1162 179.4328 42 A 3.9912 7.8489 119.0345 55.5926 18.2774 179.4164 43 H 4.0708 7.8410 116.3033 59.7889 29.7933 177.7612 44 T 3.9575 8.1106 117.6049 66.2520 68.3201 176.8184 45 R 3.9819 8.2575 120.7756 59.5231 30.3067 178.4621 46 A 4.2540 7.9359 120.3736 55.2730 18.4136 179.4667 47 E 3.9317 8.0222 117.6592 59.4661 29.2333 179.6492 48 S 4.3879 7.7091 113.6422 61.4060 63.3121 176.3276 49 F 4.2690 8.0007 120.1588 60.0972 38.8733 176.8447 50 D 4.5158 8.0631 117.7067 56.9676 41.0794 178.6489 51 E 3.9919 8.0482 119.5125 56.1709 29.6201 179.1188 *53 R 4.2495 8.0108 120.4242 56.8163 32.2899 176.9147 54 H 4.3125 8.1365 114.7059 58.8297 28.6173 177.5856 55 A 3.9774 8.2689 122.7770 55.1875 18.1017 179.3616 56 E 3.9815 8.1511 117.3167 59.4208 29.8390 178.6815 57 E 3.9857 8.1772 118.4734 59.5421 29.4591 179.4616 58 I 3.7980 7.8955 119.8980 64.4308 37.0449 178.5819 59 T 3.9295 8.1009 116.7065 66.7211 68.2402 176.2131 60 D 4.3609 8.3369 120.8990 57.4159 40.9629 178.8735 61 R 3.8706 7.9753 118.9335 59.4899 30.0281 178.3015 62 I 3.6791 7.8951 119.5965 64.6633 37.1828 178.3096 63 L 3.9750 8.1429 119.6573 57.8200 41.2188 179.3899 64 L 4.0391 8.0709 119.5581 57.8213 42.2498 177.9956 65 L 4.4292 7.7105 117.2308 54.1502 41.3274 176.9237 66 D 4.2192 7.8097 116.9719 55.2801 38.6924 174.3497 67 G 3.8598 8.0552 108.7946 44.4752 0.0000 173.5838 68 L 4.5525 8.0102 120.6104 52.1338 42.8985 174.1271 69 P 4.3847 0.0000 0.0000 62.6674 31.6761 176.1486 70 N 4.6447 9.4489 123.2706 53.2392 37.7845 173.6252 71 Y 4.4138 8.5615 121.6450 57.7117 38.4519 176.5913 72 Q 4.2771 8.4730 122.4842 56.4868 29.8637 175.4769 73 R 4.5627 7.9743 117.6047 54.3361 31.6758 174.8783 74 I 4.4709 8.1215 125.1366 59.3269 40.1196 175.7704 75 G 3.9101 8.3990 112.5928 44.4288 0.0000 173.0668 76 S 4.3674 8.3123 115.6373 57.6199 63.2316 174.5024 77 L 4.0596 8.4338 126.1332 54.5241 41.9708 176.9189 78 R 4.3934 8.5388 124.0464 54.5379 29.9636 174.1736 79 I 4.3569 8.1375 125.3707 59.7658 38.1031 176.4207 80 G 3.9352 8.7707 114.7015 45.4060 0.0000 173.1832 81 Q 4.8335 8.8851 119.8519 55.8013 29.7202 175.9282 82 T 4.4164 7.3405 108.3258 58.6461 73.3489 174.3044 83 L 3.6540 8.1545 120.7883 58.1240 41.6112 179.5916 84 R 3.9095 7.8520 117.6431 59.7372 29.9070 178.1507 85 E 3.9856 7.8744 118.1827 59.4521 29.3751 179.3111 86 Q 3.8266 8.0028 117.9533 59.0085 28.8786 178.8473 87 F 4.5220 7.8434 118.6823 60.9295 39.0760 177.7026 88 E 4.0654 8.5126 117.8762 59.2516 28.8175 179.2724 89 A 4.1046 8.6542 121.3369 55.3650 18.2118 179.4966 90 D 4.7227 8.6709 117.7214 57.3026 40.8751 178.7384 91 L 3.7639 7.9238 120.6798 57.6748 41.9044 178.8134 92 A 4.1692 7.8811 120.5958 55.1824 18.3309 179.5888 93 I 3.6951 7.5139 117.1065 64.6156 37.2995 178.5688 94 E 3.9990 7.8324 119.0712 59.7487 29.3135 179.0691 95 Y 4.3713 7.8206 116.7218 60.9945 37.8546 178.1368 96 D 4.3810 8.0103 118.9954 57.3143 41.3612 178.5197 97 V 3.5824 7.8669 118.7020 65.9837 31.5878 177.8764 98 L 4.0263 7.8787 118.4191 58.0731 41.2814 179.2639 99 N 4.3682 8.1339 115.0910 56.2733 38.5601 177.2230 100 R 4.0600 8.0085 119.9889 59.4722 30.2271 178.5824 101 L 4.0418 8.4868 119.1675 57.3622 41.4886 179.5053 102 K 3.9410 8.1268 118.5590 59.2630 31.8612 177.6977 103 P 4.3339 0.0000 0.0000 65.1087 31.3436 178.5586 104 G 3.8322 7.5036 104.1129 47.8914 0.0000 175.3033 105 I 3.9157 8.0467 122.9936 63.9583 37.2115 179.0763 106 V 3.3081 7.0531 115.7716 64.2986 31.6118 177.0989 *108 C 4.5274 8.1364 117.7119 59.5445 29.9865 176.4320 109 R 4.1550 7.9673 118.4152 58.9604 29.9887 178.8693 110 E 3.9929 7.9798 116.6713 59.2859 29.4509 178.0620 111 K 4.1775 7.9812 114.7588 56.5187 32.2425 176.6570 112 Q 3.5645 7.6307 116.6938 57.2049 26.5735 173.8353 113 D 4.7896 8.2200 120.2067 52.8105 40.7008 176.3217 114 T 4.0293 8.0761 116.1691 64.4130 69.3236 176.8079 115 T 3.8534 7.8452 118.1059 66.6018 68.5319 176.6159 116 S 4.1354 8.3055 116.4670 61.3352 62.7195 176.5708 117 A 3.9627 7.7717 123.1427 55.2208 18.1850 179.8882 118 V 3.5104 8.4534 117.1258 65.8469 31.7031 177.7794 119 L 3.9438 7.8500 120.1122 58.4726 41.9425 179.1625 120 L 4.0730 7.9385 118.5348 57.5124 41.5179 179.2984 121 E 3.9995 8.4353 119.2061 59.3185 29.3962 179.5105 122 K 4.0149 8.1859 118.5348 59.4024 32.0462 179.5219 123 I 3.5764 7.6052 119.7021 64.3087 37.0299 178.4828 124 V 3.5677 7.8990 118.8307 66.0330 30.7512 177.8749 125 A 4.1774 7.9930 120.2987 55.3449 18.3660 179.3328 126 D 4.3790 8.2001 117.3353 57.6979 40.9460 178.9848 127 E 4.1037 8.5059 119.1865 59.3359 29.4552 179.1122 128 E 4.0656 8.3186 118.7591 59.5514 29.5389 179.3371 129 E 4.0247 7.9489 117.6575 59.5941 29.4932 178.9341 130 H 4.3029 8.2207 117.9235 59.2911 29.9204 177.1264 131 I 3.5244 8.2358 122.0641 64.5506 36.9209 177.6971 132 D 4.3057 8.1673 118.5266 57.4895 41.0259 177.6102 133 Y 4.0148 7.9885 119.8227 60.8172 38.8040 178.2331 134 L 3.2904 8.1508 120.1333 57.6482 41.6748 179.4286 135 E 3.8981 8.3636 118.9081 59.5941 29.2693 179.5874 136 T 3.8126 7.8677 116.0015 66.4663 68.2111 176.8920 137 Q 3.6412 7.1188 119.2560 58.6974 28.6163 178.4194 138 L 3.9065 6.9935 118.5810 57.6079 42.0362 178.8207 139 E 4.0353 7.9766 119.3077 58.8761 29.6253 178.5843 140 L 4.4437 7.7784 119.5949 55.0242 41.8735 178.9061 *142 D 4.5398 8.0872 119.9875 54.4526 43.0206 177.7242 143 K 4.1359 7.8849 117.1373 59.3211 32.1855 178.4030 144 L 4.1561 8.1810 117.7320 55.2442 42.2291 178.3737 145 G 4.0422 8.1663 104.4737 45.5571 0.0000 173.9741 146 E 3.9573 8.9040 121.1496 59.3220 29.5036 179.6077 147 E 3.9774 8.1432 117.8675 59.4906 29.4483 178.9543 148 L 3.9774 7.8885 118.3868 58.2723 42.4572 177.9261 149 Y 4.1376 8.3461 119.5983 60.9951 38.7484 178.2338 150 S 4.0522 8.5243 115.9636 61.6243 62.6209 176.5984 151 A 4.1334 8.2629 123.3313 54.9889 17.8569 178.7550 152 Q 4.3244 7.7806 113.9479 56.8201 29.0990 176.2395 153 C 4.6620 8.3420 117.9145 59.4358 29.3467 173.7952 154 V 4.5714 7.2479 112.0493 59.3871 33.4332 175.6934 155 S 4.5022 8.2336 116.6356 57.5044 64.5845 173.3592 156 R 4.4511 8.1899 118.8852 53.7626 31.4344 174.2013 157 P 4.6053 0.0000 0.0000 60.7700 32.6264 174.1691 158 P 4.4709 0.0000 0.0000 63.4044 32.0103 176.6453 159 T 4.5989 7.9498 110.9107 60.9061 70.9496 171.3959 160 S 4.4513 8.1436 113.4393 57.7653 65.6613 174.1938 161 A 4.1250 8.6522 123.5899 53.9236 17.9538 178.3194 *162 W 4.2301 7.8189 122.7766 56.9525 29.7678 179.1794 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 2 Q 8.33 4.46 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 3 G 8.45 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 0.00 0.00 0.00 4 D 9.36 4.54 0.00 2.82 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 5 P 0.00 4.31 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 D 8.97 4.40 0.00 2.79 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 7 V 7.88 3.57 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 1.14 0.00 0.00 0.93 0.00 0.00 8 L 7.99 4.03 0.00 1.89 1.71 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.02 3.86 0.00 1.99 2.08 0.00 3.09 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 1.62 1.63 0.00 10 L 7.88 3.94 0.00 1.90 1.83 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.31 3.99 0.00 1.85 1.70 0.92 0.62 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 12 N 8.48 4.38 0.00 2.86 2.85 0.00 0.00 6.69 8.52 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 13 E 8.20 3.94 0.00 2.15 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 2.29 2.30 0.00 14 Q 8.23 3.95 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 15 L 7.98 3.84 0.00 1.82 1.73 0.71 0.48 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 16 T 7.88 3.79 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 1.21 0.00 0.00 17 S 7.76 4.05 0.00 3.84 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 18 E 8.19 3.86 0.00 2.05 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 2.56 2.46 0.00 19 L 7.76 3.93 0.00 1.57 1.60 0.55 0.54 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 20 T 7.69 3.70 4.29 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 1.14 0.00 0.00 21 A 7.88 3.35 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.89 3.50 1.89 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 1.59 0.70 0.75 0.00 0.00 23 N 7.85 4.28 0.00 2.91 2.82 0.00 0.00 6.73 7.78 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 24 Q 8.10 3.87 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 25 Y 8.24 4.40 0.00 2.99 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 26 F 8.48 4.07 0.00 3.11 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 27 L 7.92 3.88 0.00 1.76 1.83 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.15 4.34 0.00 3.40 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.13 4.45 0.00 4.20 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 30 K 7.49 4.13 0.00 1.70 1.65 0.00 1.32 0.00 0.00 0.86 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.93 1.26 7.81 *32 Q 8.02 4.49 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 33 D 8.16 4.32 0.00 2.91 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 34 N 7.87 4.37 0.00 2.65 2.55 0.00 0.00 7.29 7.28 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 35 W 7.73 4.55 0.00 3.68 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.60 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 37 F 7.85 4.89 0.00 3.37 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 38 T 7.65 4.12 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 1.34 0.00 0.00 39 E 8.14 4.00 0.00 2.12 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 0.00 2.41 2.48 0.00 40 L 8.04 4.00 0.00 1.86 1.98 1.23 1.23 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 41 A 8.38 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 42 A 7.85 3.99 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 43 H 7.84 4.07 0.00 3.36 3.51 0.00 5.59 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 44 T 8.11 3.96 4.29 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 1.29 0.00 0.00 45 R 8.26 3.98 0.00 2.06 2.23 0.00 3.23 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 2.18 1.92 0.00 46 A 7.94 4.25 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 47 E 8.02 3.93 0.00 2.05 1.83 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 2.28 2.26 0.00 48 S 7.71 4.39 0.00 4.21 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 49 F 8.00 4.27 0.00 3.26 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 50 D 8.06 4.52 0.00 3.00 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 51 E 8.05 3.99 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 *53 R 8.01 4.25 0.00 1.89 2.11 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 54 H 8.14 4.31 0.00 3.43 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.27 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 56 E 8.15 3.98 0.00 2.10 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 2.41 2.44 0.00 57 E 8.18 3.99 0.00 2.27 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 2.36 2.54 0.00 58 I 7.90 3.80 1.86 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 1.51 0.75 0.92 0.00 0.00 59 T 8.10 3.93 4.50 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 1.34 0.00 0.00 60 D 8.34 4.36 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 61 R 7.98 3.87 0.00 1.95 2.07 0.00 3.17 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 1.63 1.73 0.00 62 I 7.90 3.68 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 1.53 0.59 0.95 0.00 0.00 63 L 8.14 3.97 0.00 1.84 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.07 4.04 0.00 1.77 1.85 0.93 1.21 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 65 L 7.71 4.43 0.00 1.90 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.81 4.22 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.06 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.57 1.59 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.34 2.17 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 70 N 9.45 4.64 0.00 2.67 2.78 0.00 0.00 7.15 7.58 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 71 Y 8.56 4.41 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.47 4.28 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 73 R 7.97 4.56 0.00 1.78 1.76 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 74 I 8.12 4.47 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 1.30 0.76 0.86 0.00 0.00 75 G 8.40 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 0.00 0.00 0.00 76 S 8.31 4.37 0.00 3.88 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 77 L 8.43 4.06 0.00 1.61 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.54 4.39 0.00 1.80 1.89 0.00 3.30 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 79 I 8.14 4.36 1.92 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 1.37 0.97 0.98 0.00 0.00 80 G 8.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.89 4.83 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 82 T 7.34 4.42 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 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0.00 2.01 1.82 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.88 4.17 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 93 I 7.51 3.70 2.12 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 1.54 0.59 0.89 0.00 0.00 94 E 7.83 4.00 0.00 1.88 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 2.66 2.51 0.00 95 Y 7.82 4.37 0.00 3.04 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 96 D 8.01 4.38 0.00 2.93 2.90 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 97 V 7.87 3.58 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 0.87 0.00 0.00 0.97 0.00 0.00 98 L 7.88 4.03 0.00 2.03 1.77 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.13 4.37 0.00 2.90 2.91 0.00 0.00 7.05 7.28 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.97 4.15 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 110 E 7.98 3.99 0.00 1.98 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 2.35 2.40 0.00 111 K 7.98 4.18 0.00 1.88 1.85 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 112 Q 7.63 3.56 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 113 D 8.22 4.79 0.00 2.60 2.53 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 0.00 114 T 8.08 4.03 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 1.21 0.00 0.00 115 T 7.85 3.85 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 1.22 0.00 0.00 116 S 8.31 4.14 0.00 4.03 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 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0.00 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 L 8.15 3.29 0.00 1.63 1.49 0.70 0.88 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 0.00 135 E 8.36 3.90 0.00 2.10 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 2.36 2.48 0.00 136 T 7.87 3.81 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 0.00 137 Q 7.12 3.64 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 138 L 6.99 3.91 0.00 1.62 1.63 0.89 1.27 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 0.00 139 E 7.98 4.04 0.00 2.16 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 2.26 2.30 0.00 140 L 7.78 4.44 0.00 1.88 1.79 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *142 D 8.09 4.54 0.00 2.79 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 0.00 143 K 7.88 4.14 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 144 L 8.18 4.16 0.00 1.71 1.78 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.17 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 0.00 0.00 0.00 146 E 8.90 3.96 0.00 2.02 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 2.35 2.38 0.00 147 E 8.14 3.98 0.00 2.08 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 2.41 2.45 0.00 148 L 7.89 3.98 0.00 1.65 1.85 0.94 0.92 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 0.00 149 Y 8.35 4.14 0.00 3.17 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 0.00 150 S 8.52 4.05 0.00 4.15 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 0.00 151 A 8.26 4.13 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 0.00 152 Q 7.78 4.32 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 153 C 8.34 4.66 0.00 3.20 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 0.00 154 V 7.25 4.57 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 0.80 0.00 0.00 1.00 0.00 0.00 155 S 8.23 4.50 0.00 3.98 4.16 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 0.00 156 R 8.19 4.45 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 157 P 0.00 4.61 0.00 2.17 2.06 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 158 P 0.00 4.47 0.00 2.03 2.01 0.00 3.61 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 2.02 2.09 0.00 159 T 7.95 4.60 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 1.30 0.00 0.00 160 S 8.14 4.45 0.00 3.95 3.97 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 0.00 0.00 0.00 161 A 8.65 4.12 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 *162 W 7.82 4.23 0.00 2.50 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.