NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.2651 8.3193 115.4089 58.0957 63.8706 175.4286 *9 S 4.1923 8.9966 107.0582 57.5350 64.4850 173.4713 10 E 4.7271 8.3017 118.8852 54.8741 31.8041 175.1259 11 H 4.8437 8.5275 116.8174 54.2061 32.4215 173.0538 12 S 4.8880 8.7471 117.9174 56.3798 65.6513 173.0693 13 A 4.7899 8.2055 122.0379 50.5020 22.2830 175.3212 14 I 4.2790 8.7841 123.2173 59.6560 39.2600 174.8260 15 V 4.9146 8.3892 127.2692 61.4587 33.4738 174.8542 16 T 4.8617 9.0193 123.9183 61.6006 72.4886 172.7271 17 W 5.3078 9.0468 135.0000 55.5074 33.8971 174.4721 18 K 4.0657 7.5394 124.4617 53.7154 34.9409 176.2038 19 R 3.2793 7.4680 123.5163 56.0649 30.7163 176.4096 20 K 4.1939 9.0470 125.1819 55.6558 32.9268 177.7196 21 D 4.3501 8.6824 121.3100 56.6581 39.1187 177.6845 22 S 4.4050 7.9875 110.9076 58.3387 63.4014 173.1341 23 E 4.5667 8.0059 121.7965 54.8927 30.1580 175.9735 24 A 4.0848 8.7516 127.7918 53.6847 19.1606 177.4156 25 F 4.5126 8.7643 121.9273 59.1593 38.6700 176.7481 26 T 3.9677 7.9073 107.5010 63.4512 68.7233 174.2239 27 D 4.5173 8.0919 120.8486 52.8817 39.6750 175.7048 28 N 4.1847 8.0791 116.1035 54.9525 37.9377 173.9677 29 Q 4.5147 8.1564 113.0112 55.3861 29.0908 175.5478 30 Y 4.5426 7.5838 115.8099 56.3858 38.9747 175.1783 31 S 4.4169 9.2257 117.0935 58.8947 62.9758 174.1642 32 R 4.7809 9.0767 125.5174 56.4611 30.9222 176.1669 33 A 4.5847 8.1258 122.5446 52.8485 19.2954 176.8840 34 H 4.8843 8.6122 115.9509 55.4738 32.7316 172.2509 35 T 5.0803 8.8883 107.8292 59.8105 71.9205 172.9448 36 W 5.2795 9.1125 124.0381 54.9878 31.9122 174.2789 37 E 4.9006 9.2917 125.8820 54.2944 32.1436 174.6930 38 F 5.1647 8.6819 124.2578 55.4770 42.6580 175.8339 39 D 4.3730 9.4333 120.0926 57.8612 40.7499 178.3531 40 G 3.7570 8.1031 103.4390 46.4587 0.0000 173.4756 41 G 4.1100 8.2414 108.6105 45.2607 0.0000 174.7048 42 S 4.3907 8.2102 114.6105 58.4673 63.6775 172.9893 43 K 5.2450 8.7152 124.8699 54.6856 34.9577 175.3508 44 I 4.5814 9.1638 125.5377 59.2743 40.4457 174.8153 45 L 4.5212 8.4284 126.3322 54.5322 42.8487 175.9970 46 A 4.6747 8.7176 125.2965 50.2930 22.9782 174.0620 47 S 5.2050 8.8607 112.4545 57.8653 66.5048 173.4134 48 A 4.5743 8.5717 123.8662 51.4792 19.2327 177.5324 49 S 4.3587 8.6207 114.5710 57.5550 63.0452 173.3608 50 P 5.1915 0.0000 0.0000 64.1050 31.2696 176.7753 51 H 4.4737 8.2693 116.5365 57.3330 28.9791 176.2625 52 V 4.2746 7.6969 117.4905 61.4706 33.3881 176.2743 53 V 4.3473 7.4024 119.8969 59.8195 34.3807 172.6148 54 P 4.5410 0.0000 0.0000 62.2914 31.9476 176.0188 55 V 4.1010 8.3433 120.0779 62.2013 31.9778 173.8273 56 P 4.7917 0.0000 0.0000 62.9007 31.8485 176.9007 57 L 4.0712 7.9110 121.1883 58.0323 41.6677 177.6897 58 S 4.5761 7.8713 112.7906 57.6136 64.1955 173.1264 59 V 4.4070 8.3845 122.0078 61.0080 32.7139 176.4004 60 E 3.9021 8.9418 127.4431 59.4791 29.4646 178.3148 61 A 4.1115 7.9658 119.1341 53.7809 18.6274 176.5166 62 N 5.0458 7.5420 113.2201 50.9956 40.9835 175.5275 63 V 4.0123 7.8567 121.3398 61.8250 32.8829 174.9067 64 D 5.8500 8.5306 121.7897 50.2309 42.4700 175.3295 65 P 4.6082 0.0000 0.0000 66.0436 31.2900 178.8672 66 E 4.0585 8.3494 116.7711 59.4825 29.4093 179.0609 67 E 4.0528 9.0153 118.7122 59.4356 29.4750 179.2736 68 A 4.1599 8.5070 120.9213 55.1276 18.5706 179.3552 69 F 4.0771 8.5818 119.1920 61.5120 39.4501 177.6033 70 V 3.5714 8.1463 117.5660 65.9626 31.4071 177.7582 71 A 3.9872 8.4009 120.6354 55.1188 18.1312 179.4722 72 A 3.8866 8.3343 119.5265 55.2868 18.5150 179.8391 73 L 3.7925 7.5790 117.3321 57.9093 41.4305 179.8234 74 S 4.0536 7.9415 111.9846 61.3779 62.4562 175.7660 75 S 4.1475 8.3417 114.9895 61.4368 62.5282 175.3296 76 C 4.1934 8.2192 121.5381 62.5573 31.2908 175.9020 77 H 4.0710 7.9004 116.8153 56.8420 29.3745 176.6479 *79 L 4.1363 7.8894 120.9558 54.3210 43.7751 179.4383 80 V 3.4059 7.6465 117.3500 65.8782 31.3503 177.4268 81 F 3.9495 8.1152 120.4306 61.6643 39.0787 177.1367 82 L 4.1134 8.0975 117.8803 57.9305 41.5404 179.5761 83 S 4.0825 7.9773 113.8813 61.4766 62.8605 176.6740 84 I 3.6025 7.7181 123.1995 64.0294 36.8389 178.2926 85 A 4.0455 8.1246 121.7865 54.9403 18.0994 179.5298 86 A 3.9584 8.2090 119.5016 55.3792 18.2660 180.0738 87 K 3.8898 7.6895 115.6280 59.4307 32.1672 178.8147 88 Q 3.9361 7.7781 115.4973 54.9520 28.7494 175.8928 89 R 3.8090 7.6798 115.8430 57.2546 28.7755 175.4811 90 Y 4.8584 7.6245 115.2187 57.9085 39.5969 175.6781 91 L 4.4083 8.7989 126.4855 54.4028 43.3448 175.2392 92 V 4.2024 8.4006 127.2254 62.2617 31.8837 175.4612 93 E 4.4170 9.3846 128.7046 59.0361 30.3031 176.9118 94 S 4.7035 7.5442 111.2787 57.5316 66.5323 173.0052 95 Y 5.0206 8.4008 121.3740 56.4424 41.5906 174.2688 96 T 4.7240 8.6051 122.7691 61.7683 72.5757 172.2636 97 D 5.0377 8.8804 125.6183 52.6925 43.6017 175.5187 98 N 4.8090 8.4310 123.8722 52.0428 37.7688 174.1635 99 A 4.8272 8.2114 124.5563 50.8637 20.7957 176.7943 100 V 4.3990 8.8010 119.7161 59.9930 34.6454 174.6295 101 G 4.5265 8.9002 111.8337 44.4975 0.0000 172.4623 102 I 4.6279 8.5753 123.7260 59.1371 39.7732 174.8922 103 L 4.8041 8.5803 127.4919 54.5644 42.8315 176.3544 104 G 4.0467 8.4429 108.8653 45.6998 0.0000 171.8027 105 K 4.9109 8.6044 119.9276 55.6737 33.0574 177.9692 106 N 4.7198 9.0445 123.7149 51.8876 38.8580 175.7611 107 S 4.1716 8.5485 111.7508 61.0747 63.0442 174.9893 108 K 4.1878 8.3928 118.6968 56.1521 32.0837 177.3631 109 G 3.8995 8.2299 107.3686 45.3852 0.0000 173.3065 110 K 4.5806 7.8254 118.5059 54.6276 34.4656 176.0232 111 T 4.5864 8.3967 121.2233 63.8789 69.1944 173.7531 112 S 4.4482 9.0936 120.3693 57.0757 67.4363 173.5442 113 V 4.3299 8.0993 120.3898 62.8094 30.4401 175.2359 114 T 4.3471 8.8522 119.9632 63.1402 70.5397 174.7758 115 K 5.1890 7.8997 122.4492 54.6888 36.1942 174.9161 116 V 4.8538 8.9840 126.4652 61.1292 34.8464 174.0142 117 V 4.6508 8.8948 128.4219 61.3481 33.4147 174.1887 118 L 4.6338 8.9712 129.0130 53.4863 42.9479 176.6090 119 R 5.5994 9.0048 122.3191 52.7649 30.2942 172.3072 120 P 4.3860 0.0000 0.0000 62.2859 33.5894 176.0955 121 Q 4.8031 8.9942 125.1264 54.2072 31.3232 173.9805 122 V 4.5656 8.2173 126.2091 60.9234 34.1373 174.5003 123 V 4.3045 8.2368 127.5702 61.3494 33.1651 174.4760 124 F 5.3264 8.9069 126.5282 56.3148 41.2513 175.1523 125 S 4.6151 8.6566 115.6320 57.8432 66.3157 173.5501 126 G 3.8998 8.7673 108.8932 45.6017 0.0000 173.0009 127 T 4.2591 8.3656 106.9089 61.5799 69.4249 174.6046 128 S 4.5775 7.9129 116.6979 56.5065 62.8813 172.2209 129 K 4.3518 8.1985 126.1093 53.3999 34.1426 175.0044 130 P 4.2263 0.0000 0.0000 62.0999 32.2735 176.3560 131 T 4.2281 8.5121 110.5906 60.4163 71.2858 175.6732 132 L 3.9095 8.3523 121.2742 58.5385 41.5106 179.9280 133 Q 4.0332 8.0874 116.8848 59.1065 28.4017 179.0777 134 Q 3.9607 7.7212 117.7500 58.6885 28.8925 177.7376 135 L 4.1828 7.7693 120.4268 58.4496 42.3735 178.1194 136 E 4.2190 8.2930 118.9117 59.2090 29.6313 179.1363 137 K 4.1807 7.9052 119.4654 57.0142 32.6086 178.3347 *139 H 5.0230 8.2124 116.5129 55.9654 31.1955 175.5376 140 H 4.2811 8.5379 118.5726 59.2446 29.7237 177.3066 141 L 3.9061 8.1962 120.6155 57.6856 41.2288 179.2257 142 A 3.9089 7.9904 119.0460 55.6155 18.1300 178.7291 143 H 4.2999 8.4108 116.6034 59.4491 29.6991 177.3819 144 E 4.0106 8.0588 119.6703 58.3621 29.2538 177.9994 145 N 5.0174 7.5301 113.8213 51.8642 39.3625 174.0715 146 C 4.1046 7.3054 122.2195 58.4115 31.6745 174.1326 147 F 4.4894 8.3318 127.0541 60.9497 38.7185 177.4474 148 I 3.8630 7.7414 118.5331 64.3792 36.5776 178.0870 149 A 3.9914 7.9800 121.0847 55.2277 18.0005 178.6484 150 N 4.5667 8.1341 112.5269 54.7784 38.8516 176.4751 151 S 4.7067 7.9694 115.6178 57.4977 63.9067 173.8216 152 V 4.6812 6.7925 113.6890 59.5422 34.6938 175.3996 153 E 4.3204 8.7185 120.1192 58.2742 30.1284 177.4388 154 T 4.0536 8.1435 114.3296 64.1047 69.2172 173.4242 155 E 4.0719 9.1470 127.5564 56.3594 30.7605 175.4578 156 V 4.7183 8.5099 127.6137 61.4572 33.2349 174.9058 157 V 4.4674 8.6946 121.7498 59.8398 34.5936 174.8638 158 T 4.8445 8.4213 121.0101 62.0068 70.4029 173.8031 159 E 4.4851 9.2692 127.0980 54.5197 31.3172 175.3393 160 I 4.0374 8.2259 126.4574 60.9743 38.0044 176.5112 161 I 4.0559 8.0935 127.2612 61.3421 36.7541 175.7335 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 7 S 8.32 4.27 0.00 3.97 3.68 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 *9 S 9.00 4.19 0.00 3.91 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 10 E 8.30 4.73 0.00 2.03 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 2.13 2.24 0.00 11 H 8.53 4.84 0.00 3.09 3.24 0.00 5.84 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 12 S 8.75 4.89 0.00 3.95 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 13 A 8.21 4.79 1.11 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 0.00 0.00 14 I 8.78 4.28 1.82 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 1.10 0.80 0.91 0.00 0.00 15 V 8.39 4.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.68 0.00 0.00 16 T 9.02 4.86 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 17 W 9.05 5.31 0.00 3.26 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 18 K 7.54 4.07 0.00 1.42 1.33 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.26 7.81 19 R 7.47 3.28 0.00 1.47 1.61 0.00 3.51 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 20 K 9.05 4.19 0.00 1.90 1.68 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 21 D 8.68 4.35 0.00 2.76 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 S 7.99 4.40 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.01 4.57 0.00 2.31 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 0.00 2.51 2.36 0.00 24 A 8.75 4.08 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 25 F 8.76 4.51 0.00 3.41 3.30 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 26 T 7.91 3.97 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 1.35 0.00 0.00 27 D 8.09 4.52 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.08 4.18 0.00 2.79 2.82 0.00 0.00 6.98 6.38 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 29 Q 8.16 4.51 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 30 Y 7.58 4.54 0.00 3.56 3.30 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 31 S 9.23 4.42 0.00 3.95 4.06 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 32 R 9.08 4.78 0.00 1.98 2.02 0.00 3.08 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 33 A 8.13 4.58 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 34 H 8.61 4.88 0.00 3.64 3.81 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.89 5.08 4.26 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 1.21 0.00 0.00 36 W 9.11 5.28 0.00 3.13 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.29 4.90 0.00 1.91 1.67 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 2.16 2.38 0.00 38 F 8.68 5.16 0.00 3.10 2.95 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 39 D 9.43 4.37 0.00 2.70 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 40 G 8.10 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 41 G 8.24 4.11 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 0.00 0.00 0.00 42 S 8.21 4.39 0.00 4.03 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 43 K 8.72 5.24 0.00 1.66 1.69 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.45 7.81 44 I 9.16 4.58 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.77 0.00 0.00 45 L 8.43 4.52 0.00 1.50 1.49 0.88 0.76 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 46 A 8.72 4.67 0.04 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 47 S 8.86 5.21 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.57 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 49 S 8.62 4.36 0.00 4.22 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 50 P 0.00 5.19 0.00 2.14 2.12 0.00 3.42 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 H 8.27 4.47 0.00 3.20 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.70 4.27 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 0.77 0.00 0.00 0.93 0.00 0.00 53 V 7.40 4.35 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 0.96 0.00 0.00 0.89 0.00 0.00 54 P 0.00 4.54 0.00 2.22 2.13 0.00 3.69 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 2.02 1.91 0.00 55 V 8.34 4.10 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 0.94 0.00 0.00 0.91 0.00 0.00 56 P 0.00 4.79 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 57 L 7.91 4.07 0.00 1.75 1.61 0.84 0.77 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 58 S 7.87 4.58 0.00 4.17 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 59 V 8.38 4.41 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 1.04 0.00 0.00 0.95 0.00 0.00 60 E 8.94 3.90 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 61 A 7.97 4.11 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 62 N 7.54 5.05 0.00 2.71 2.57 0.00 0.00 6.97 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 63 V 7.86 4.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.94 0.00 0.00 64 D 8.53 5.85 0.00 2.94 2.86 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 65 P 0.00 4.61 0.00 2.29 2.29 0.00 3.77 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 66 E 8.35 4.06 0.00 2.28 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 2.40 2.43 0.00 67 E 9.02 4.05 0.00 2.25 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 2.39 2.53 0.00 68 A 8.51 4.16 1.79 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 0.00 0.00 69 F 8.58 4.08 0.00 3.32 3.36 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 70 V 8.15 3.57 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 1.00 0.00 0.00 1.15 0.00 0.00 71 A 8.40 3.99 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 72 A 8.33 3.89 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 73 L 7.58 3.79 0.00 1.77 1.64 0.55 0.58 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 74 S 7.94 4.05 0.00 3.86 4.06 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 75 S 8.34 4.15 0.00 3.84 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 76 C 8.22 4.19 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.90 4.07 0.00 3.37 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 7.89 4.14 0.00 1.79 1.64 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.65 3.41 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.69 0.00 0.00 81 F 8.12 3.95 0.00 3.24 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 82 L 8.10 4.11 0.00 1.70 1.72 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.98 4.08 0.00 4.04 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 84 I 7.72 3.60 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.79 0.00 0.00 85 A 8.12 4.05 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 86 A 8.21 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.69 3.89 0.00 1.82 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 88 Q 7.78 3.94 0.00 1.48 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 89 R 7.68 3.81 0.00 1.97 1.99 0.00 2.98 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 90 Y 7.62 4.86 0.00 3.07 2.98 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 91 L 8.80 4.41 0.00 1.87 1.89 0.97 0.93 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 92 V 8.40 4.20 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 0.83 0.00 0.00 0.98 0.00 0.00 93 E 9.38 4.42 0.00 1.93 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 2.35 2.41 0.00 94 S 7.54 4.70 0.00 3.85 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 95 Y 8.40 5.02 0.00 2.88 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 96 T 8.61 4.72 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 1.20 0.00 0.00 97 D 8.88 5.04 0.00 2.77 2.61 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 98 N 8.43 4.81 0.00 2.63 2.75 0.00 0.00 7.01 7.23 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 99 A 8.21 4.83 1.22 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 0.00 0.00 0.00 100 V 8.80 4.40 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 0.90 0.00 0.00 0.94 0.00 0.00 101 G 8.90 4.53 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 0.00 102 I 8.58 4.63 1.88 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 1.24 1.29 0.91 0.00 0.00 103 L 8.58 4.80 0.00 1.50 1.57 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.44 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.60 4.91 0.00 1.65 1.75 0.00 1.94 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.37 7.81 106 N 9.04 4.72 0.00 2.92 2.99 0.00 0.00 6.35 7.20 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 0.00 107 S 8.55 4.17 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.39 4.19 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.38 7.81 109 G 8.23 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 K 7.83 4.58 0.00 1.71 1.70 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 111 T 8.40 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 1.19 0.00 0.00 112 S 9.09 4.45 0.00 3.74 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 0.00 113 V 8.10 4.33 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 0.99 0.00 0.00 0.64 0.00 0.00 114 T 8.85 4.35 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 1.35 0.00 0.00 115 K 7.90 5.19 0.00 1.82 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 116 V 8.98 4.85 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 0.97 0.00 0.00 1.07 0.00 0.00 117 V 8.89 4.65 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 0.96 0.00 0.00 0.93 0.00 0.00 118 L 8.97 4.63 0.00 1.48 1.65 0.82 0.71 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 0.00 119 R 9.00 5.60 0.00 1.79 1.74 0.00 3.09 0.00 0.00 3.37 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 120 P 0.00 4.39 0.00 1.44 1.78 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 121 Q 8.99 4.80 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 122 V 8.22 4.57 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 0.23 0.00 0.00 0.30 0.00 0.00 123 V 8.24 4.30 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 0.91 0.00 0.00 0.88 0.00 0.00 124 F 8.91 5.33 0.00 2.98 2.97 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 0.00 125 S 8.66 4.62 0.00 3.84 3.88 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 0.00 126 G 8.77 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 0.00 127 T 8.37 4.26 4.26 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 1.23 0.00 0.00 128 S 7.91 4.58 0.00 3.86 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 0.00 129 K 8.20 4.35 0.00 1.66 1.48 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.53 7.81 130 P 0.00 4.23 0.00 1.57 0.49 0.00 2.37 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.44 0.00 131 T 8.51 4.23 4.34 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 1.16 0.00 0.00 132 L 8.35 3.91 0.00 1.69 1.79 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.09 4.03 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 134 Q 7.72 3.96 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 135 L 7.77 4.18 0.00 1.60 1.94 1.39 1.39 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 0.00 136 E 8.29 4.22 0.00 2.13 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 2.37 2.38 0.00 137 K 7.91 4.18 0.00 1.87 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 *139 H 8.21 5.02 0.00 3.56 3.52 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.54 4.28 0.00 3.33 3.38 0.00 5.79 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 0.00 141 L 8.20 3.91 0.00 1.86 1.69 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.99 3.91 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 0.00 143 H 8.41 4.30 0.00 3.40 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.06 4.01 0.00 2.18 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 2.30 2.24 0.00 145 N 7.53 5.02 0.00 2.70 2.73 0.00 0.00 6.97 7.53 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 0.00 146 C 7.31 4.10 0.00 3.06 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 0.00 147 F 8.33 4.49 0.00 3.01 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 0.00 148 I 7.74 3.86 1.80 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 1.56 0.79 0.72 0.00 0.00 149 A 7.98 3.99 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 0.00 150 N 8.13 4.57 0.00 2.93 2.92 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 0.00 151 S 7.97 4.71 0.00 3.86 3.92 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 0.00 152 V 6.79 4.68 2.33 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 0.87 0.00 0.00 1.08 0.00 0.00 153 E 8.72 4.32 0.00 2.00 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 0.00 2.30 2.36 0.00 154 T 8.14 4.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 155 E 9.15 4.07 0.00 2.10 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 2.32 2.28 0.00 156 V 8.51 4.72 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 0.90 0.00 0.00 1.05 0.00 0.00 157 V 8.69 4.47 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 0.64 0.00 0.00 0.92 0.00 0.00 158 T 8.42 4.84 4.21 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 1.04 0.00 0.00 159 E 9.27 4.49 0.00 1.80 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 2.20 2.22 0.00 160 I 8.23 4.04 1.84 0.00 0.00 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 1.14 0.40 0.87 0.00 0.00 161 I 8.09 4.06 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.