NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3634 8.3044 120.3493 54.8045 33.3875 174.7552 2 I 3.4546 8.4086 125.4109 61.5342 38.5587 172.9559 3 Q 4.9020 8.5062 125.8530 54.1074 33.1152 174.0315 4 S 5.1813 8.6404 116.2751 56.8090 66.4971 172.9145 5 Q 4.9019 8.6417 119.5682 54.3543 30.7452 175.8736 6 I 4.2703 8.4759 112.6918 60.4083 39.0878 174.8959 7 N 4.8224 7.8032 119.8117 50.9644 40.3698 174.4357 8 R 3.9550 8.6384 124.2812 59.4104 29.1430 178.1812 9 N 4.3932 8.6579 117.1826 55.7639 38.5518 177.3397 10 I 3.6792 7.4161 121.4226 64.6651 37.2657 178.7067 11 R 4.0288 7.8922 118.1045 58.9516 29.9363 179.0006 12 L 4.0260 8.1654 119.2691 57.6644 41.6322 179.0820 13 D 4.3658 8.5225 119.4584 57.2189 40.6953 178.4880 14 L 3.9353 7.8872 120.2224 58.0600 42.0873 178.7362 15 A 4.2372 8.0887 122.0831 54.8056 18.2647 179.3985 16 D 4.3253 8.0307 116.6254 57.4221 40.8711 178.8898 17 A 4.0285 8.0148 121.2586 55.0446 18.3664 179.7525 18 I 3.6335 8.1760 118.7596 64.6687 37.2611 178.7386 19 L 4.0986 8.0325 119.7722 57.4901 41.3530 179.2198 20 L 3.8890 7.7972 119.9857 58.1455 42.1273 178.5812 21 S 4.0466 7.9650 113.0217 61.6864 62.2600 176.3423 22 K 3.8433 8.5432 121.9822 59.2364 31.7582 178.6749 23 A 3.8905 7.9542 121.0242 55.1980 18.1969 179.4851 24 K 3.7871 8.0986 115.9552 59.3782 32.2760 178.6960 25 K 4.2544 7.9351 115.0601 55.0213 32.9258 175.7476 26 D 4.3227 7.8900 117.9994 55.1288 40.0055 173.1752 27 L 4.5887 7.7383 116.8514 53.5560 43.5907 176.6219 28 S 4.5832 8.2322 115.0172 56.7552 65.5502 175.2375 29 F 4.3084 8.4543 118.1353 60.1105 38.4471 178.0919 30 A 4.1035 8.0626 119.5585 55.0696 18.5233 179.1447 31 E 4.0739 8.0707 116.8664 59.6664 29.4364 179.3159 32 I 3.6964 7.3746 117.8163 64.3214 37.3150 177.5483 33 A 4.3998 7.7450 118.0257 51.6666 18.9701 176.7905 34 D 4.3355 7.4221 118.5827 55.0979 41.7223 176.2402 35 G 3.9497 9.1910 114.3355 45.9024 0.0000 173.4199 36 T 4.2859 7.8567 113.5345 60.8212 68.7786 175.6692 37 G 4.0489 8.3461 108.0657 45.2820 0.0000 173.1770 38 L 4.6669 7.4088 117.9331 52.2981 44.4330 176.7130 39 A 4.2247 8.2446 123.0143 51.9632 20.3917 178.6462 40 E 3.8877 8.7060 121.6060 59.4434 29.9205 179.2682 41 A 3.9360 7.9647 120.3614 54.9009 18.5570 179.3221 42 F 3.7731 7.9894 118.7148 61.4594 39.6794 177.5162 43 V 3.6591 8.1702 118.0943 66.2205 31.2490 178.0376 44 T 3.7617 8.0416 115.3116 66.5343 68.1842 176.2197 45 A 3.8000 7.7063 122.2385 55.1353 18.2988 179.5565 46 A 4.1204 7.4191 119.8369 54.8628 17.9888 179.9272 47 L 4.0409 7.8001 117.4866 57.6136 41.4303 178.7710 48 L 4.5065 7.8667 116.5783 54.4537 41.5370 177.3316 49 G 3.8610 7.8899 106.7900 46.3323 0.0000 174.4627 50 Q 4.5475 8.2593 115.6146 55.2167 29.8041 175.2672 51 Q 4.4175 7.4259 115.9118 54.4664 32.8400 172.7541 52 A 4.8027 8.2991 121.3337 50.7884 20.7401 176.6254 53 L 4.6752 9.0578 121.9780 52.8974 43.6250 175.0561 54 P 4.4556 0.0000 0.0000 62.5592 32.4433 177.2486 55 A 3.9781 8.8286 123.5686 55.5771 18.1838 180.0061 56 D 4.2748 8.0765 116.4946 57.5441 41.0253 178.6939 57 A 3.9882 8.0381 120.5169 55.1096 18.4416 179.2816 58 A 3.9868 8.2772 119.3970 55.4167 18.2084 180.1680 59 R 3.8893 7.8579 115.6354 59.5240 30.3658 178.4538 60 L 4.0004 8.2745 120.4417 58.2894 42.1422 179.1249 61 V 3.7227 8.2140 112.2264 64.7604 31.6556 179.0437 62 G 3.6485 8.3687 104.8912 47.3347 0.0000 175.6874 63 A 3.9838 8.2483 123.4657 55.0788 18.4528 179.5383 64 K 3.7798 7.9976 115.0660 59.2076 32.2001 177.7343 65 L 4.4534 7.7011 114.7973 53.6267 42.6154 175.6785 66 D 4.3845 7.5164 117.1413 55.2192 38.6167 173.7960 67 L 4.4571 8.2985 118.1443 53.5160 43.3965 177.7665 68 D 4.6742 8.2764 122.2705 53.0346 41.6962 177.3470 69 E 4.0050 8.5526 118.3524 59.5619 29.3456 179.1331 70 D 4.3748 8.1029 118.5250 57.5121 40.9554 179.0079 71 S 4.1165 8.4322 115.5758 61.6604 62.6516 176.7187 72 I 3.7376 7.6144 121.3640 64.1560 37.1071 177.9236 73 L 4.2260 8.1300 121.2392 58.2735 42.0975 178.8894 74 L 4.0148 8.0471 119.0052 57.9875 41.5707 179.3873 75 L 4.1811 7.9486 117.3956 56.7409 41.3613 178.5273 76 Q 4.7787 7.6519 117.9779 55.4450 29.5892 175.9468 77 M 4.4861 7.1150 119.4461 55.0856 33.1289 176.4204 78 I 4.0431 8.8843 124.3990 60.7523 38.0992 174.2709 79 P 4.6961 0.0000 0.0000 62.1191 32.9076 176.4465 80 L 4.2992 8.3254 123.2013 54.2081 41.1360 176.5842 81 R 4.1419 8.1787 124.2290 56.0551 30.8141 175.4773 82 G 3.2666 8.2569 107.8510 45.2163 0.0000 173.4813 83 C 4.2606 8.1866 122.4364 59.4689 30.6275 174.7455 84 I 3.9959 7.5367 121.7836 60.4986 37.4971 174.9773 85 D 4.4502 8.8486 125.5121 57.2051 41.6625 176.7010 86 D 4.6418 7.5226 114.8325 53.4005 41.7528 174.0139 87 R 4.2648 8.1510 127.2264 56.6201 29.2929 177.2503 88 I 4.0571 7.1577 116.2398 58.2384 39.1761 173.8278 89 P 4.4015 0.0000 0.0000 62.9200 31.7740 176.5906 90 T 4.1404 8.4223 112.4645 63.7108 69.8561 175.4483 91 D 4.4942 7.9922 122.2378 53.2294 42.2101 174.7131 92 P 4.4731 0.0000 0.0000 66.1375 31.1395 178.8898 93 T 3.9909 7.7459 113.6163 67.0037 68.6048 176.4344 94 M 4.4562 8.3331 120.1554 58.6423 32.0964 177.8669 95 Y 3.9899 8.7294 120.0769 60.8397 38.8355 178.5666 96 K 4.0702 7.9922 119.0875 59.2079 31.5761 179.3871 97 F 4.1557 7.8481 118.4926 60.5533 38.7812 176.9818 98 Y 3.9637 7.9772 118.8058 60.5865 38.4597 177.6918 99 E 3.7193 7.8149 120.3051 59.2011 29.7345 178.3180 100 M 4.0976 8.1114 118.9385 58.7313 31.9379 178.8277 101 L 3.9764 7.5136 118.1794 57.8265 41.5513 179.5401 102 Q 3.7673 7.3652 117.0749 58.4763 28.5922 178.5547 103 V 3.6437 7.8042 118.7711 64.9264 32.0599 176.7618 104 Y 4.6761 8.2747 114.0832 57.2083 38.6823 177.5727 105 G 3.9046 8.1601 109.0337 48.4670 0.0000 175.9180 106 T 4.0394 7.8425 111.7007 64.3124 69.0213 176.8005 107 T 3.9522 7.7737 118.4864 66.3563 68.5474 176.6233 108 L 4.0109 8.4075 121.4838 57.5307 41.5568 178.9659 109 K 3.6919 8.1594 119.3632 59.6730 32.0780 178.1824 110 A 4.0333 8.2523 120.7339 55.5709 18.2725 179.6933 111 L 4.0339 8.0809 117.1500 57.5133 41.6579 179.6667 112 V 3.7615 7.9649 118.4564 66.6623 31.3060 177.9409 113 H 5.0739 8.3636 117.3615 58.2615 28.2719 177.5304 114 E 3.9499 8.1152 120.4446 59.3317 29.6347 178.7083 115 K 3.9714 8.2541 117.3370 57.9363 32.2179 177.6180 116 F 4.1504 8.4963 115.8586 59.5968 41.2420 174.1980 117 G 3.8446 7.2712 105.1884 43.7767 0.0000 171.6992 118 D 4.7231 8.9152 119.7072 53.1183 41.9780 177.5581 119 G 3.6426 7.7487 113.3546 45.2250 0.0000 171.2072 120 I 4.8059 7.7510 112.9028 59.3581 41.7394 174.2349 121 I 4.6545 8.1063 123.6180 59.6841 38.2470 175.8356 122 S 4.1765 9.2718 122.9905 58.3032 63.3231 174.2126 123 A 3.8438 8.4248 127.8430 51.7946 19.2772 176.5495 124 I 4.2893 7.6194 115.8954 63.5582 39.4302 176.6709 125 N 4.7949 8.2248 124.0042 52.2152 37.8407 172.0323 126 F 5.5063 8.1632 123.3384 56.4597 42.9110 172.7712 127 K 4.5792 8.7792 124.7951 54.3956 35.9902 174.8955 128 L 5.0009 8.0803 124.0163 53.4008 45.1236 175.0240 129 D 4.9089 8.8484 124.3100 51.6083 43.4203 174.2960 130 V 4.9063 8.3709 119.4484 61.2262 33.9929 174.7477 131 K 4.7270 9.0076 126.3532 54.4883 36.6018 175.0056 132 K 4.8800 8.6695 124.7278 55.0763 33.5502 175.5172 133 V 4.5039 8.7425 127.5112 60.4707 34.3991 174.4487 134 A 4.3173 8.8723 128.9168 52.7217 19.0813 176.4139 135 D 4.4586 9.5858 123.0637 53.0005 41.4859 175.0090 136 P 4.2986 0.0000 0.0000 66.0240 31.4265 177.6067 137 E 4.0425 7.9662 116.0031 57.1043 29.6781 175.9358 138 G 3.7620 9.0532 106.6068 45.0317 0.0000 175.0597 139 G 3.8401 9.1533 111.6062 44.0640 0.0000 170.9847 140 E 5.1210 8.4201 117.7243 54.6555 32.9033 175.6792 141 R 4.6683 9.3393 122.8808 54.5188 32.7540 175.1176 142 A 4.8064 8.5663 125.2601 51.0393 20.2031 176.6652 143 V 4.1745 8.9934 124.2919 61.6116 33.2053 174.4960 144 I 4.9109 8.3765 129.4234 60.1646 38.9171 175.3262 145 T 4.5100 8.6383 124.3908 61.8526 70.5592 173.5166 146 L 4.5408 8.5497 127.0451 53.3306 43.3401 175.7956 147 D 4.7363 8.6204 124.8086 52.3111 43.1299 174.5052 148 G 4.7789 8.4386 111.6549 42.5844 0.0000 170.5530 149 K 4.3065 8.7986 124.2169 56.2060 33.5056 175.3234 150 Y 4.7083 8.6539 128.8890 57.4746 39.8089 174.3255 151 L 4.4038 8.5212 127.6570 52.0769 43.5730 174.4334 152 P 4.6353 0.0000 0.0000 62.8002 32.6344 175.7497 153 T 4.6034 8.5784 118.6253 62.0148 69.6891 174.4625 154 K 4.7262 8.5226 125.2109 53.4301 35.6207 174.4306 155 P 4.3306 0.0000 0.0000 62.8255 31.9369 176.6269 156 F 4.5873 8.0713 115.0631 57.0234 37.9141 175.2472 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 4.36 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 I 8.41 3.45 1.88 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 1.42 1.05 0.91 0.00 0.00 3 Q 8.51 4.90 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 4 S 8.64 5.18 0.00 3.81 3.78 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 5 Q 8.64 4.90 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 6 I 8.48 4.27 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 7 N 7.80 4.82 0.00 2.76 2.69 0.00 0.00 6.93 7.65 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 8 R 8.64 3.95 0.00 2.06 2.34 0.00 3.11 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 9 N 8.66 4.39 0.00 2.76 2.90 0.00 0.00 6.84 6.89 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 10 I 7.42 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.91 0.00 0.00 11 R 7.89 4.03 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.47 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.17 4.03 0.00 1.69 1.71 0.91 0.88 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 13 D 8.52 4.37 0.00 2.90 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 14 L 7.89 3.94 0.00 1.79 1.83 0.93 1.02 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 15 A 8.09 4.24 1.45 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 0.00 0.00 0.00 16 D 8.03 4.33 0.00 2.92 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 17 A 8.01 4.03 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 18 I 8.18 3.63 2.07 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 1.54 0.62 0.96 0.00 0.00 19 L 8.03 4.10 0.00 1.87 1.75 0.99 0.49 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 20 L 7.80 3.89 0.00 1.75 1.80 0.92 1.16 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 21 S 7.96 4.05 0.00 3.93 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 0.00 22 K 8.54 3.84 0.00 1.78 1.79 0.00 1.14 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.20 7.81 23 A 7.95 3.89 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 24 K 8.10 3.79 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 25 K 7.94 4.25 0.00 1.69 1.81 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.40 7.81 26 D 7.89 4.32 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.74 4.59 0.00 1.53 1.45 0.88 0.62 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 28 S 8.23 4.58 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.45 4.31 0.00 3.21 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 30 A 8.06 4.10 1.34 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 0.00 0.00 0.00 31 E 8.07 4.07 0.00 2.13 1.99 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 2.33 2.34 0.00 32 I 7.37 3.70 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.96 0.00 0.00 33 A 7.75 4.40 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 34 D 7.42 4.34 0.00 2.82 2.76 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 35 G 9.19 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.86 4.29 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 1.36 0.00 0.00 37 G 8.35 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 38 L 7.41 4.67 0.00 1.70 1.65 0.99 0.52 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 39 A 8.24 4.22 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 40 E 8.71 3.89 0.00 2.07 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 2.45 2.44 0.00 41 A 7.96 3.94 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 42 F 7.99 3.77 0.00 3.20 3.23 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 43 V 8.17 3.66 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 1.05 0.00 0.00 1.09 0.00 0.00 44 T 8.04 3.76 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 0.31 0.00 0.00 45 A 7.71 3.80 1.19 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 46 A 7.42 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.80 4.04 0.00 1.92 1.81 1.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.87 4.51 0.00 1.66 1.64 0.75 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.89 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 50 Q 8.26 4.55 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.43 4.42 0.00 1.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 1.98 1.28 0.00 52 A 8.30 4.80 1.34 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 0.00 0.00 0.00 53 L 9.06 4.68 0.00 1.71 1.65 0.96 1.23 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 54 P 0.00 4.46 0.00 2.09 1.99 0.00 3.70 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 55 A 8.83 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 D 8.08 4.27 0.00 2.71 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 57 A 8.04 3.99 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 58 A 8.28 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 59 R 7.86 3.89 0.00 2.07 2.01 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 60 L 8.27 4.00 0.00 1.75 1.79 0.93 1.28 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 61 V 8.21 3.72 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 1.03 0.00 0.00 1.04 0.00 0.00 62 G 8.37 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 0.00 0.00 0.00 63 A 8.25 3.98 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 64 K 8.00 3.78 0.00 1.90 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.67 7.81 65 L 7.70 4.45 0.00 1.78 1.67 0.97 0.95 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 66 D 7.52 4.38 0.00 2.82 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 67 L 8.30 4.46 0.00 1.58 1.59 0.93 1.02 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 68 D 8.28 4.67 0.00 2.95 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 69 E 8.55 4.00 0.00 2.00 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 2.40 2.34 0.00 70 D 8.10 4.37 0.00 2.72 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 71 S 8.43 4.12 0.00 4.11 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 72 I 7.61 3.74 1.99 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 1.42 0.63 0.97 0.00 0.00 73 L 8.13 4.23 0.00 1.87 1.92 0.93 0.50 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 74 L 8.05 4.01 0.00 1.92 1.72 0.92 0.69 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 75 L 7.95 4.18 0.00 1.90 1.73 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.65 4.78 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 77 M 7.11 4.49 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.53 0.00 78 I 8.88 4.04 1.88 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 1.31 0.89 0.92 0.00 0.00 79 P 0.00 4.70 0.00 2.15 2.01 0.00 3.75 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 1.95 1.93 0.00 80 L 8.33 4.30 0.00 1.82 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.18 4.14 0.00 1.81 1.81 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 82 G 8.26 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 0.00 0.00 0.00 83 C 8.19 4.26 0.00 3.06 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 84 I 7.54 4.00 1.85 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 1.29 0.52 0.89 0.00 0.00 85 D 8.85 4.45 0.00 2.63 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 86 D 7.52 4.64 0.00 2.61 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 87 R 8.15 4.26 0.00 1.97 2.04 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 88 I 7.16 4.06 1.75 0.00 0.00 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 1.28 0.74 0.63 0.00 0.00 89 P 0.00 4.40 0.00 2.18 2.05 0.00 3.32 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 90 T 8.42 4.14 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 1.20 0.00 0.00 91 D 7.99 4.49 0.00 2.85 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 92 P 0.00 4.47 0.00 2.23 2.12 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 93 T 7.75 3.99 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 1.34 0.00 0.00 94 M 8.33 4.46 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 95 Y 8.73 3.99 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.99 4.07 0.00 1.52 1.58 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.57 7.81 97 F 7.85 4.16 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.98 3.96 0.00 2.95 2.64 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 0.00 0.00 0.00 0.00 99 E 7.81 3.72 0.00 2.02 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 2.31 2.40 0.00 100 M 8.11 4.10 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 101 L 7.51 3.98 0.00 1.56 1.51 0.89 1.06 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 0.00 102 Q 7.37 3.77 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 1.65 2.38 0.00 103 V 7.80 3.64 1.84 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 0.12 0.00 0.00 0.88 0.00 0.00 104 Y 8.27 4.68 0.00 3.18 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 0.00 105 G 8.16 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 0.00 106 T 7.84 4.04 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 1.20 0.00 0.00 107 T 7.77 3.95 4.58 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 1.33 0.00 0.00 108 L 8.41 4.01 0.00 1.87 1.72 0.95 0.73 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 0.00 109 K 8.16 3.69 0.00 1.83 2.01 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.51 7.81 110 A 8.25 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.08 4.03 0.00 1.79 1.75 0.94 0.67 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 0.00 112 V 7.96 3.76 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 113 H 8.36 5.07 0.00 3.24 3.35 0.00 5.68 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 0.00 114 E 8.12 3.95 0.00 2.07 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 0.00 2.29 2.34 0.00 115 K 8.25 3.97 0.00 1.79 1.14 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.39 7.81 116 F 8.50 4.15 0.00 2.46 1.45 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 0.00 117 G 7.27 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 0.00 118 D 8.92 4.72 0.00 2.76 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 0.00 119 G 7.75 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.75 4.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.03 0.93 0.00 0.00 121 I 8.11 4.65 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.91 0.00 0.00 122 S 9.27 4.18 0.00 3.89 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 0.00 123 A 8.42 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.62 4.29 1.87 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 1.25 0.96 0.93 0.00 0.00 125 N 8.22 4.79 0.00 2.79 2.75 0.00 0.00 6.73 8.53 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 0.00 126 F 8.16 5.51 0.00 2.93 2.87 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 0.00 127 K 8.78 4.58 0.00 1.44 1.48 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.24 7.81 128 L 8.08 5.00 0.00 1.23 1.36 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.85 4.91 0.00 2.70 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 0.00 130 V 8.37 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 0.88 0.00 0.00 0.90 0.00 0.00 131 K 9.01 4.73 0.00 1.71 1.62 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.58 7.81 132 K 8.67 4.88 0.00 1.78 1.72 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 133 V 8.74 4.50 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 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.87 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 9.59 4.46 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.30 0.00 2.09 2.14 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 137 E 7.97 4.04 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 2.34 2.26 0.00 138 G 9.05 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 0.00 139 G 9.15 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 0.00 140 E 8.42 5.12 0.00 1.82 1.84 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 2.20 2.31 0.00 141 R 9.34 4.67 0.00 1.72 1.83 0.00 3.11 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 142 A 8.57 4.81 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 0.00 143 V 8.99 4.17 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 0.96 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.91 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.93 0.00 0.00 145 T 8.64 4.51 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 1.18 0.00 0.00 146 L 8.55 4.54 0.00 1.68 2.02 1.02 1.17 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 0.00 147 D 8.62 4.74 0.00 2.60 2.45 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 0.00 148 G 8.44 4.78 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 0.00 0.00 0.00 149 K 8.80 4.31 0.00 1.95 1.71 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 150 Y 8.65 4.71 0.00 2.49 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 0.00 151 L 8.52 4.40 0.00 1.44 1.41 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.64 0.00 2.03 1.93 0.00 3.46 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 153 T 8.58 4.60 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 1.26 0.00 0.00 154 K 8.52 4.73 0.00 1.74 1.71 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.33 0.00 2.01 1.90 0.00 3.65 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 2.02 2.06 0.00 156 F 8.07 4.59 0.00 3.07 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