NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4185 8.3049 120.3513 54.9447 33.3860 175.0957 2 L 4.1106 8.1632 123.2793 52.7453 42.6628 176.1933 3 T 4.2621 8.6722 111.6981 61.4185 71.8500 175.0724 4 M 3.9791 8.9544 121.9437 59.0084 32.1604 178.3684 5 Q 3.9650 8.0676 118.9757 59.3782 29.2703 178.1606 6 E 3.9073 8.0619 119.1019 59.4247 29.4735 179.3941 7 I 3.7723 7.8556 119.8293 64.3386 37.0988 178.6380 8 K 4.0351 8.4412 119.4424 59.3995 31.8829 179.2462 9 A 4.0596 8.0457 121.0478 55.6136 18.0974 179.4552 10 H 4.2424 8.1237 113.6201 58.8530 28.8540 176.7498 11 Y 4.3574 8.0249 115.4961 56.9180 38.3980 175.4031 12 R 3.7880 7.7761 118.1602 56.9592 28.4508 176.2785 13 F 4.5343 8.6989 120.0313 57.5316 40.1660 175.1577 14 T 4.6759 8.3219 118.7369 59.6638 72.5431 174.6793 15 D 4.4550 8.5583 119.8335 57.5863 40.5249 179.0515 16 E 3.8972 8.0185 118.6312 59.4276 29.4529 178.8064 17 D 4.0209 7.5144 118.6257 57.1497 40.6573 178.7041 18 A 4.2447 7.6176 121.1606 55.3582 18.4343 179.5930 19 E 3.9360 8.3755 117.1212 59.4413 29.2966 179.5482 20 L 3.9737 7.9323 118.3745 57.7895 41.9787 179.2169 21 L 4.4485 8.2928 119.2537 57.9078 41.6805 179.8266 22 G 3.9266 8.4988 106.0033 48.1659 0.0000 175.6186 23 S 4.3978 8.0899 114.9558 60.1924 63.3223 175.4076 24 L 4.3958 7.7672 121.9927 54.6760 41.5547 177.9531 25 F 4.0591 8.1005 122.5224 61.0222 39.5347 175.2384 26 P 4.0034 0.0000 0.0000 65.3581 30.8945 178.5452 27 L 3.8997 7.7428 116.3546 57.7085 41.9165 178.8449 28 A 4.0416 7.8376 120.9345 55.2460 17.9723 179.5965 29 E 3.8186 7.6742 116.4371 59.1629 29.5483 178.7304 30 T 4.3363 7.4414 106.6180 62.1798 69.5920 174.7101 31 N 5.1227 7.9366 118.2001 52.5302 40.4362 176.3180 32 K 4.1476 8.1218 120.1078 60.0854 32.7264 178.9293 33 E 4.1200 8.1374 119.3721 59.0119 29.5255 178.9684 34 R 3.9330 7.9788 118.4471 59.2021 30.1955 178.1325 35 L 2.7394 7.8618 119.8754 57.7006 41.9219 178.8409 36 A 3.9916 7.9783 120.7753 55.2379 18.2314 179.4090 37 D 4.3737 8.2697 117.4277 57.7125 40.9291 179.0932 38 Q 4.0747 8.1807 118.6043 58.7374 28.7105 178.5143 39 F 4.0025 8.5941 122.1560 61.5536 39.4824 176.6469 40 Y 4.0576 8.3889 119.1687 60.8529 38.3958 177.5175 41 D 4.4298 8.4088 119.1701 57.3731 41.2945 177.8326 42 Y 4.0341 8.0595 120.2366 60.6807 38.2720 178.0834 43 L 3.9329 7.7730 119.9157 57.6680 41.4430 179.4586 44 L 4.0716 7.8210 118.1521 57.0365 41.5842 178.8126 45 G 3.8604 7.5151 103.0749 43.9447 0.0000 173.2789 46 I 4.4170 6.8028 122.0901 58.5758 39.4508 174.6147 47 P 4.1739 0.0000 0.0000 65.8193 30.9155 178.4854 48 E 3.9345 8.0203 116.1875 59.3757 29.6774 178.8195 49 T 4.1280 7.5075 108.8741 64.1592 69.2624 176.6758 50 A 3.9287 8.2085 123.8549 54.8747 17.8048 179.1762 51 E 3.7226 7.9475 116.7545 59.7257 29.6047 178.9521 52 F 4.2885 8.0793 114.6459 58.6081 39.4462 175.8434 53 L 4.6623 7.8984 120.5351 54.2533 42.3012 178.3669 54 K 3.9410 7.8225 119.7013 59.6999 32.0262 179.2012 55 E 4.0258 8.0642 115.7831 58.6643 29.7853 177.1068 56 D 4.6286 7.9303 116.9479 54.3287 41.7617 177.3484 57 L 3.9725 7.6232 120.4307 59.2311 42.2169 178.5387 58 V 3.7376 7.9753 115.8922 65.6967 31.5596 176.6165 59 L 4.4136 7.8500 116.0199 53.9342 42.8629 176.2005 60 Q 4.2265 8.0942 116.7514 55.3887 27.0406 175.8395 61 K 3.9237 8.1834 119.4711 59.7794 32.4281 177.2137 62 L 4.1005 8.5313 119.1399 57.2066 41.4675 179.2838 63 K 4.0406 7.6537 120.0366 59.5518 32.0199 178.6004 64 Q 3.9834 7.9673 119.2978 59.4002 29.1844 177.9972 65 T 3.9210 8.0206 116.7729 67.2067 68.6455 176.3544 66 H 4.4495 8.4177 118.0035 58.6541 28.7475 177.6685 67 Q 4.0416 8.2448 121.5793 59.4415 28.9650 178.1258 68 D 4.4684 8.6780 120.3405 57.0718 40.6039 178.5053 69 W 4.2387 7.9934 128.9638 59.8067 31.1035 177.3867 70 F 3.4444 8.2890 120.2374 61.2236 38.8329 177.3597 71 V 3.6051 7.8743 117.8080 65.7340 31.4368 178.0070 72 S 4.2510 7.8751 113.7876 60.8245 62.5400 176.2582 73 L 3.8649 6.8914 121.6984 56.6073 41.1261 177.6644 74 F 4.9004 7.5515 116.6194 57.1152 39.3119 177.7170 75 A 3.7459 7.9906 126.4881 53.3798 18.2486 179.9552 76 G 3.9968 8.7385 102.3619 45.4704 0.0000 173.1824 77 S 4.3096 6.2741 112.6977 56.5356 65.3284 172.9667 78 Y 4.4152 8.2537 124.9964 56.9777 40.7443 173.1359 79 D 5.0672 8.2780 127.5670 51.5870 42.1054 175.7773 80 N 4.4512 8.8248 113.9326 56.7200 38.4058 177.0486 81 R 3.9531 8.3975 120.0147 59.5527 30.1839 178.3223 82 Y 4.0433 8.1176 119.1131 60.6345 38.8039 177.9941 83 I 3.6784 7.8313 120.3182 64.6384 37.3496 177.5642 84 H 4.3735 8.3060 120.4261 58.7943 29.5525 176.7594 85 N 4.2997 8.3363 118.7318 56.6472 38.6867 176.8809 86 L 3.8842 7.8714 120.4320 57.6912 41.4088 179.4617 87 Q 3.9439 8.1614 118.1900 58.7796 28.6336 178.6913 88 K 3.8863 7.9731 120.5998 59.4817 32.2333 178.9775 89 I 3.7780 8.0095 120.4847 64.2127 37.0453 178.5356 90 G 3.8424 8.2688 108.2576 47.6524 0.0000 175.1001 91 H 3.9583 8.5327 121.1889 58.7513 29.6047 177.0853 92 A 3.8730 8.0121 122.6526 55.3709 18.1775 179.3286 93 H 4.0864 7.7698 113.3832 58.5108 28.9183 178.0616 94 V 3.1641 7.4162 120.4237 65.9428 31.0961 178.4014 95 R 3.8870 7.7054 114.5051 59.2253 29.3432 178.7143 96 V 3.9351 7.3888 111.6838 62.3590 31.6184 177.1342 97 G 4.1146 7.6428 106.4600 45.0451 0.0000 173.0586 98 L 3.8082 7.4668 121.8955 53.8564 42.6158 176.4177 99 N 4.4478 9.0057 124.6720 53.4810 39.7144 175.4303 100 A 3.4775 8.2299 126.7932 54.9394 18.1936 178.9144 101 H 3.7843 8.2486 117.1579 60.0785 29.6320 176.8284 102 Y 3.9580 7.6674 117.7546 60.4368 37.5655 178.4225 103 V 3.4740 7.5690 119.7569 65.9030 31.6358 177.7287 104 N 4.2357 7.9081 115.7582 56.1775 38.5483 177.2005 105 V 3.4574 7.7268 119.3414 66.1351 31.6612 177.9661 106 A 3.7824 8.1769 120.6685 55.3087 18.1194 179.2919 107 M 4.1041 8.2661 116.8683 58.6066 32.1778 177.9644 108 N 4.3244 8.1279 117.4790 56.4653 39.1026 176.9157 109 V 3.4243 7.4809 119.2828 66.0934 31.4994 178.2612 110 V 3.7326 8.0218 117.9012 65.8468 31.3046 177.8738 111 R 4.0177 8.5561 118.9623 59.7054 29.9791 178.5398 112 Q 4.0475 8.4263 117.9755 58.9200 28.7057 178.5269 113 F 4.0787 8.4150 121.6639 61.7439 39.4369 177.3971 114 T 4.2460 8.5982 115.5228 66.7420 68.2987 177.0108 115 L 4.1473 8.4434 121.1194 57.7352 41.4903 179.7840 116 S 4.1051 8.1315 115.5007 61.3707 62.5681 176.4852 117 I 3.5988 7.6082 122.6198 64.4272 36.8773 178.4713 118 I 3.9897 7.8056 120.4115 64.6386 36.7947 178.2720 119 Q 4.0474 8.1241 119.0776 59.3697 28.9743 177.7150 120 D 4.5248 8.2716 118.3439 55.8663 41.0653 176.6375 121 N 4.6639 7.8211 114.3180 52.5905 40.3190 174.7699 122 F 4.7076 7.6951 116.0536 54.3452 39.6639 172.6600 123 P 4.3294 0.0000 0.0000 65.0969 31.7490 177.6413 124 D 4.4615 8.0802 118.2401 53.4596 42.0483 174.7759 125 P 4.2544 0.0000 0.0000 65.8851 31.4690 178.4883 126 E 3.9964 8.2123 116.7959 59.0942 29.6813 178.7942 127 E 3.8970 8.6753 118.8715 59.3104 29.4940 179.3432 128 R 3.7622 8.1629 118.6694 59.4166 30.1189 178.3130 129 R 3.8616 8.1377 118.6523 59.7943 30.0258 178.4968 130 Q 3.9236 8.0664 117.5825 58.9006 28.6057 178.9641 131 R 3.7742 7.7182 118.8557 59.0310 30.0077 178.8765 132 R 3.8796 8.2516 118.9459 59.5858 30.0338 178.3671 133 E 3.9428 8.4473 118.2298 59.3623 29.4890 179.2257 134 A 3.9409 7.8965 120.7720 55.0869 18.3485 179.8563 135 V 3.5719 7.9990 116.8529 66.2888 31.5986 178.1205 136 E 4.0070 8.6044 118.7208 59.2094 29.1786 179.5228 137 K 3.9315 8.0816 118.5583 59.6174 32.2106 179.2999 138 I 3.5118 7.8260 118.7966 63.8217 37.7586 177.9188 139 L 4.0917 8.1861 120.1912 57.9935 41.4112 179.2220 140 D 4.3698 8.2839 118.9196 57.3505 40.6909 178.9596 141 I 3.3581 7.7221 120.7205 64.1115 36.9975 178.1436 142 N 4.3256 8.2484 117.3537 56.3226 38.4155 177.0752 143 L 3.9156 8.1263 121.7702 58.1818 42.1233 178.2956 144 D 4.3667 8.4025 118.1096 57.7126 41.0063 178.4176 145 I 3.7578 7.7275 118.9773 64.6560 37.2785 178.0752 146 M 4.2279 8.2495 119.5992 58.5467 31.7478 179.0104 147 S 4.1851 8.4328 115.2621 61.5351 63.0219 176.5588 148 A 4.1278 8.0935 123.3914 55.1158 17.5810 179.7146 149 S 4.2023 8.0728 113.5463 61.1622 62.5928 175.2245 150 Y 4.4364 7.8858 117.5537 56.9380 38.1308 175.0691 151 R 4.6412 7.3472 120.0096 53.7797 32.4872 175.6062 152 E 4.1009 8.9129 122.2311 56.6209 29.5456 176.2875 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 2 L 8.16 4.11 0.00 1.79 1.60 1.00 0.72 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 3 T 8.67 4.26 4.37 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 1.25 0.00 0.00 4 M 8.95 3.98 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 5 Q 8.07 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 6 E 8.06 3.91 0.00 2.20 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 2.32 2.34 0.00 7 I 7.86 3.77 2.01 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 1.61 0.65 1.03 0.00 0.00 8 K 8.44 4.04 0.00 1.99 2.22 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.48 7.81 9 A 8.05 4.06 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 10 H 8.12 4.24 0.00 3.16 3.18 0.00 5.67 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 11 Y 8.02 4.36 0.00 3.06 3.09 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 12 R 7.78 3.79 0.00 2.00 2.01 0.00 3.17 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 13 F 8.70 4.53 0.00 3.01 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 14 T 8.32 4.68 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 1.19 0.00 0.00 15 D 8.56 4.45 0.00 2.71 2.78 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 0.00 0.00 0.00 16 E 8.02 3.90 0.00 1.91 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 2.36 2.36 0.00 17 D 7.51 4.02 0.00 1.58 1.62 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 18 A 7.62 4.24 1.68 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 0.00 0.00 19 E 8.38 3.94 0.00 2.14 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 2.33 2.49 0.00 20 L 7.93 3.97 0.00 1.65 1.65 0.84 1.06 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 21 L 8.29 4.45 0.00 2.01 1.90 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.50 3.93 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 0.00 23 S 8.09 4.40 0.00 4.09 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 24 L 7.77 4.40 0.00 1.81 1.31 0.97 0.95 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 25 F 8.10 4.06 0.00 3.43 3.17 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 0.00 26 P 0.00 4.00 0.00 2.19 2.08 0.00 3.88 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 27 L 7.74 3.90 0.00 1.66 1.64 0.99 0.69 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 28 A 7.84 4.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.67 3.82 0.00 1.75 1.82 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 1.47 1.63 0.00 30 T 7.44 4.34 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 1.22 0.00 0.00 31 N 7.94 5.12 0.00 2.98 3.16 0.00 0.00 6.71 7.47 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 32 K 8.12 4.15 0.00 2.14 2.40 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.57 7.81 33 E 8.14 4.12 0.00 2.05 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 2.41 2.38 0.00 34 R 7.98 3.93 0.00 1.98 2.30 0.00 3.28 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 35 L 7.86 2.74 0.00 0.35 1.11 0.40 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.98 3.99 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 37 D 8.27 4.37 0.00 2.88 2.78 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 0.00 0.00 0.00 38 Q 8.18 4.07 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 39 F 8.59 4.00 0.00 3.05 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 40 Y 8.39 4.06 0.00 3.39 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 41 D 8.41 4.43 0.00 2.84 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 42 Y 8.06 4.03 0.00 3.22 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 43 L 7.77 3.93 0.00 1.57 1.47 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.82 4.07 0.00 1.72 1.69 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.52 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 46 I 6.80 4.42 1.80 0.00 0.00 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 1.26 0.70 1.00 0.00 0.00 47 P 0.00 4.17 0.00 2.12 2.07 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 48 E 8.02 3.93 0.00 1.62 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 2.45 2.45 0.00 49 T 7.51 4.13 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 0.70 0.00 0.00 50 A 8.21 3.93 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 51 E 7.95 3.72 0.00 1.80 1.63 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 2.41 2.29 0.00 52 F 8.08 4.29 0.00 3.16 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 53 L 7.90 4.66 0.00 1.71 1.61 0.30 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.82 3.94 0.00 1.79 1.83 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 55 E 8.06 4.03 0.00 1.98 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 2.24 0.00 56 D 7.93 4.63 0.00 2.90 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 57 L 7.62 3.97 0.00 1.86 1.73 0.98 0.89 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 58 V 7.98 3.74 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 0.86 0.00 0.00 0.94 0.00 0.00 59 L 7.85 4.41 0.00 1.67 1.69 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.09 4.23 0.00 2.11 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 61 K 8.18 3.92 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.55 7.81 62 L 8.53 4.10 0.00 2.19 1.83 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.65 4.04 0.00 0.80 1.68 0.00 1.36 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.35 1.35 7.81 64 Q 7.97 3.98 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 65 T 8.02 3.92 4.38 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 1.22 0.00 0.00 66 H 8.42 4.45 0.00 3.29 3.02 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.24 4.04 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 68 D 8.68 4.47 0.00 2.94 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 69 W 7.99 4.24 0.00 3.37 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 3.44 0.00 3.13 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.87 3.61 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 1.22 0.00 0.00 1.06 0.00 0.00 72 S 7.88 4.25 0.00 4.16 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 0.00 73 L 6.89 3.86 0.00 0.27 0.65 0.18 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.55 4.90 0.00 3.23 3.26 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 75 A 7.99 3.75 1.08 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 76 G 8.74 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 0.00 0.00 0.00 77 S 6.27 4.31 0.00 3.59 3.39 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 78 Y 8.25 4.42 0.00 2.60 2.28 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 79 D 8.28 5.07 0.00 2.86 2.78 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 0.00 0.00 0.00 80 N 8.82 4.45 0.00 2.77 2.94 0.00 0.00 6.86 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 81 R 8.40 3.95 0.00 2.04 2.04 0.00 3.13 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 1.66 1.72 0.00 82 Y 8.12 4.04 0.00 3.13 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 83 I 7.83 3.68 1.91 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 1.61 0.81 0.93 0.00 0.00 84 H 8.31 4.37 0.00 3.19 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.34 4.30 0.00 2.97 2.79 0.00 0.00 7.25 6.28 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 86 L 7.87 3.88 0.00 1.76 1.62 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.16 3.94 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 88 K 7.97 3.89 0.00 1.73 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 89 I 8.01 3.78 1.95 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 1.46 1.15 0.81 0.00 0.00 90 G 8.27 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 0.00 0.00 0.00 91 H 8.53 3.96 0.00 3.26 3.42 0.00 5.79 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 92 A 8.01 3.87 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 93 H 7.77 4.09 0.00 3.47 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.42 3.16 1.82 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 0.79 0.00 0.00 -0.10 0.00 0.00 95 R 7.71 3.89 0.00 1.91 1.83 0.00 3.08 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 96 V 7.39 3.94 2.28 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 0.81 0.00 0.00 0.88 0.00 0.00 97 G 7.64 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 98 L 7.47 3.81 0.00 0.88 1.60 0.38 0.85 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 99 N 9.01 4.45 0.00 2.93 2.90 0.00 0.00 7.09 8.03 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 0.00 100 A 8.23 3.48 0.30 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 0.00 101 H 8.25 3.78 0.00 2.90 3.03 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 0.00 102 Y 7.67 3.96 0.00 3.00 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 0.00 103 V 7.57 3.47 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 0.91 0.00 0.00 0.83 0.00 0.00 104 N 7.91 4.24 0.00 2.82 2.79 0.00 0.00 6.73 7.68 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 0.00 105 V 7.73 3.46 2.18 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 1.10 0.00 0.00 0.66 0.00 0.00 106 A 8.18 3.78 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 0.00 107 M 8.27 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 108 N 8.13 4.32 0.00 2.82 2.92 0.00 0.00 6.76 7.72 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 0.00 109 V 7.48 3.42 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 0.78 0.00 0.00 -0.26 0.00 0.00 110 V 8.02 3.73 2.46 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 1.38 0.00 0.00 1.19 0.00 0.00 111 R 8.56 4.02 0.00 2.11 2.16 0.00 3.20 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 1.71 1.86 0.00 112 Q 8.43 4.05 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 113 F 8.41 4.08 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.60 4.25 4.51 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 1.55 0.00 0.00 115 L 8.44 4.15 0.00 1.73 1.77 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.13 4.11 0.00 3.96 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 0.00 117 I 7.61 3.60 2.09 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 1.00 0.00 0.00 118 I 7.81 3.99 2.08 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 1.71 1.31 0.92 0.00 0.00 119 Q 8.12 4.05 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 120 D 8.27 4.52 0.00 2.70 2.65 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 0.00 121 N 7.82 4.66 0.00 2.42 2.17 0.00 0.00 6.75 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.70 4.71 0.00 3.09 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 0.00 123 P 0.00 4.33 0.00 2.05 2.12 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 124 D 8.08 4.46 0.00 2.83 2.62 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 0.00 125 P 0.00 4.25 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 126 E 8.21 4.00 0.00 1.97 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 2.39 2.33 0.00 127 E 8.68 3.90 0.00 2.22 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 2.49 0.00 128 R 8.16 3.76 0.00 2.09 2.10 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 129 R 8.14 3.86 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 130 Q 8.07 3.92 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 131 R 7.72 3.77 0.00 1.62 1.72 0.00 2.23 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 132 R 8.25 3.88 0.00 1.84 2.11 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 133 E 8.45 3.94 0.00 2.14 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 0.00 2.33 2.47 0.00 134 A 7.90 3.94 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 0.00 135 V 8.00 3.57 2.21 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 1.23 0.00 0.00 1.12 0.00 0.00 136 E 8.60 4.01 0.00 2.03 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 2.54 2.53 0.00 137 K 8.08 3.93 0.00 2.11 2.03 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.70 7.81 138 I 7.83 3.51 1.77 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.83 0.00 0.00 139 L 8.19 4.09 0.00 1.78 1.80 1.07 1.47 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 0.00 140 D 8.28 4.37 0.00 2.73 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 0.00 141 I 7.72 3.36 1.71 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.81 0.00 0.00 142 N 8.25 4.33 0.00 3.07 3.03 0.00 0.00 6.67 6.33 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 0.00 143 L 8.13 3.92 0.00 1.76 1.84 0.88 1.41 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 0.00 144 D 8.40 4.37 0.00 3.02 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 0.00 145 I 7.73 3.76 1.86 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 1.76 0.92 0.90 0.00 0.00 146 M 8.25 4.23 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 147 S 8.43 4.19 0.00 4.08 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 0.00 148 A 8.09 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.07 4.20 0.00 4.00 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 0.00 150 Y 7.89 4.44 0.00 3.11 2.99 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 0.00 151 R 7.35 4.64 0.00 1.82 1.85 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 152 E 8.91 4.10 0.00 1.93 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 2.30 2.32 0.00