NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6192 8.0632 120.4238 55.4764 34.2207 173.8823 2 I 3.9807 8.5192 127.4192 60.3130 38.1001 175.3210 3 R 4.0861 8.6217 127.8140 58.7224 31.6475 176.0912 4 F 5.2752 6.9498 111.3408 55.9052 41.7140 172.7713 5 I 4.9069 8.5127 119.4970 59.4525 40.2911 174.9391 6 L 4.7583 8.9734 126.6350 52.9454 45.4571 176.0297 7 I 4.7187 8.3290 122.0575 59.4956 39.9901 174.2168 8 Q 5.3006 8.9585 124.4149 52.9943 32.4694 175.3823 9 N 5.6788 8.3839 117.6139 51.1626 39.3012 175.8367 10 R 4.1977 8.5755 116.0783 58.5913 30.0633 177.5519 11 A 4.4055 8.2728 118.7972 51.9881 19.9617 177.7003 12 G 3.7645 8.5168 104.2407 44.8139 0.0000 173.7531 13 K 4.0283 8.4394 120.5702 56.1828 32.1316 176.7887 14 T 4.1832 8.3442 121.5862 63.7905 68.9190 174.4862 15 R 4.6217 8.4683 122.7620 55.2639 32.3587 175.1767 16 L 4.1645 7.4900 117.8105 54.4068 45.4587 173.4756 17 A 4.6323 8.2243 127.6298 50.8602 20.5377 173.7821 18 K 4.1021 8.1811 122.3646 55.5290 33.4265 175.1755 19 W 5.0054 8.5741 127.3807 55.1995 31.0792 175.6077 20 Y 5.1494 8.8398 119.8460 57.6668 39.0473 175.1001 21 M 4.7749 8.1512 115.1122 53.6129 34.1678 174.3303 22 Q 4.0829 8.2931 119.3807 55.8368 29.1315 175.8916 23 F 5.1258 8.1771 120.8319 54.9996 42.8772 175.0582 24 D 4.6719 8.9281 123.4954 53.5411 42.8162 177.8705 25 D 4.1979 8.3469 119.8269 57.8804 40.7114 178.8290 26 D 4.2906 8.0511 118.6933 57.1026 40.6964 178.7647 27 E 3.8623 7.7717 118.6857 59.1975 29.8233 178.5370 28 K 2.7842 7.8509 119.9353 59.3996 31.9473 178.3342 29 Q 3.8227 8.1686 119.8968 59.0206 29.0383 177.7544 30 K 3.8035 7.6939 120.6855 59.4496 32.0417 178.3642 31 L 3.9944 8.1821 120.7526 58.4228 41.9203 178.9925 32 I 3.6387 7.7513 119.6145 64.4451 36.9142 178.3146 33 E 3.9800 8.3235 119.3144 59.4028 29.2427 179.2901 34 E 4.0098 8.4467 118.7021 59.5818 29.6362 179.5882 35 V 3.3945 8.1759 118.5156 66.0603 31.4042 177.4527 36 H 3.9394 8.0440 118.0213 59.1056 29.6321 176.9676 37 A 3.9265 8.0305 122.0594 54.5280 17.5948 178.9108 38 V 3.9277 7.2732 115.5919 65.1542 32.5023 178.2176 39 V 3.0560 7.1506 117.8727 65.8777 31.0112 177.9153 40 T 3.5111 7.3376 112.3882 64.2236 67.2758 174.9590 41 V 4.0156 6.8790 119.2241 61.4926 31.8694 175.6513 42 R 4.5096 7.5349 120.5339 55.0949 31.3057 176.4650 43 D 4.8772 8.6771 123.5428 53.2127 40.0252 178.5262 44 A 3.3010 8.3503 120.5760 54.4953 17.8394 179.1254 45 K 4.0767 8.7365 116.5688 58.8747 32.5587 176.8173 46 H 4.5581 7.9229 114.6720 55.2898 30.2442 173.4994 47 T 4.5222 8.1384 113.1070 60.7783 69.8948 173.8186 48 N 3.9436 7.6361 118.9283 53.0875 39.2192 174.5281 49 F 5.3962 7.4085 117.0000 55.9613 42.8052 174.9733 50 V 4.6743 8.7073 114.4478 59.3955 36.1560 174.5763 51 E 4.2375 9.1900 124.0215 57.2477 30.2301 176.6935 52 F 4.7182 9.3733 126.1827 56.9898 42.1473 174.4793 53 R 3.1613 7.8449 131.0825 57.6275 28.7534 177.8720 54 N 4.4198 8.1890 122.2912 54.3764 38.0652 174.4233 55 F 5.5232 7.6585 119.6650 56.0157 42.8262 173.9632 56 K 5.4059 9.0269 117.6093 56.3148 37.0380 175.2913 57 I 4.9532 8.8356 120.8341 59.5850 40.2132 175.3302 58 I 4.7852 8.9223 128.7052 60.7178 38.5021 174.7544 59 Y 5.9594 7.7484 121.3024 57.0731 40.7172 173.6603 60 R 4.6214 8.7422 121.2810 54.5920 33.7803 173.9779 61 R 4.8072 8.8009 126.3388 56.5081 31.3083 175.7243 62 Y 4.3711 9.4025 123.2529 56.9748 41.3247 175.7234 63 A 3.6190 8.2140 131.1647 53.6941 17.4459 178.3840 64 G 3.8386 8.7161 109.0224 48.1518 0.0000 171.8869 65 L 4.9223 7.8833 121.3751 53.1452 44.2527 175.0645 66 Y 5.0402 9.0463 122.7112 57.0392 39.6808 174.8055 67 F 4.8160 9.7358 124.7174 56.7493 40.4515 174.6129 68 C 5.3702 9.0875 122.6615 57.9155 31.0577 173.2672 69 I 4.6337 8.8727 124.3453 59.5440 39.8152 174.0731 70 C 4.6649 8.0954 128.6381 58.4504 32.6241 172.8869 71 V 4.6992 8.6341 118.6709 59.0238 36.2616 174.7921 72 D 4.8405 8.6833 121.7402 54.6498 41.3344 178.4075 73 V 3.6548 8.6527 121.3233 66.1122 31.7547 176.6289 74 N 4.7773 8.0937 114.4775 53.0956 37.1300 174.3026 75 D 4.6563 7.6600 118.2505 53.7141 42.2044 176.6701 76 N 4.3662 8.6210 120.2684 53.6421 39.2565 175.3276 77 N 4.3653 8.6131 126.1500 56.6855 38.8531 177.2760 78 L 4.0881 7.9856 119.3101 57.5298 41.7149 178.9077 79 A 3.9169 8.4265 120.9257 55.8741 18.1881 179.3445 80 Y 4.2918 7.8725 113.4750 60.3230 37.6549 178.0774 81 L 4.1439 8.3253 122.0783 57.7849 42.0928 178.3723 82 E 4.2905 8.3341 117.9072 58.6687 29.6167 177.8766 83 A 4.1677 8.3445 120.6723 55.6626 18.3928 179.5407 84 I 3.8875 8.0056 117.0302 64.9215 37.3176 177.9741 85 H 4.2670 8.2645 118.9754 58.7698 29.8946 176.8317 86 N 4.4489 9.1310 118.5083 54.7866 37.2873 177.0527 87 F 4.2211 8.6214 124.3189 61.3990 39.6119 176.9300 88 V 3.0511 7.6302 117.8067 66.0487 30.6472 177.7318 89 E 3.8683 8.1337 118.2977 59.3284 29.1867 179.7180 90 V 3.5543 7.6662 118.1537 65.9232 31.6083 177.8436 91 L 4.1211 7.7188 118.8081 58.1937 41.6209 179.1338 92 N 4.4369 8.3328 116.2074 55.9269 38.3673 176.7647 93 E 4.0578 7.7190 119.5025 59.0604 29.6641 177.9966 94 Y 3.9218 8.1878 118.7453 60.6260 38.9996 177.6091 95 F 4.4327 8.2710 115.4839 55.9767 39.5438 172.9999 96 H 4.0111 7.4431 121.1015 56.1029 30.9077 174.4481 97 N 4.1160 8.7984 124.8612 53.8827 35.8928 174.4934 98 V 3.9421 7.3152 116.9720 62.4450 32.1111 175.2559 99 C 4.6595 8.2781 114.0686 55.9709 32.8795 174.5726 100 E 3.9504 9.0664 118.6942 59.8301 28.7044 179.6113 101 L 4.1099 7.9398 117.9577 58.1313 41.7703 178.9108 102 D 4.2905 7.6027 117.7680 57.7017 40.3919 179.3025 103 L 3.9487 7.5407 118.6596 57.2655 41.3884 178.9300 104 V 3.9391 7.9677 119.0791 65.1437 31.4983 177.8445 105 F 4.1042 8.3524 117.8412 59.8751 39.2509 175.9897 106 N 4.8643 8.3509 117.1657 52.6915 39.1441 176.1122 107 F 4.4180 9.0185 119.2966 60.0118 37.3256 177.1557 108 Y 3.9026 6.2147 116.6375 59.0044 37.6173 177.7426 109 K 4.2209 7.4157 119.3429 57.7846 33.1496 178.7934 110 V 3.7542 7.5301 120.3111 66.7055 31.4042 177.2853 111 Y 4.1548 8.4278 115.9221 61.4771 37.4865 178.7747 112 T 4.0728 7.6803 109.6431 64.4607 69.1384 176.8288 113 V 3.6047 7.7410 120.8283 65.7862 31.6452 177.5114 114 V 3.7787 8.1697 118.0222 66.6687 31.1797 177.7466 115 D 5.4365 8.0736 117.1015 56.0145 41.1029 177.7809 116 E 4.1280 8.5022 120.4975 58.2090 29.5906 177.3618 117 M 4.4776 7.7743 116.3429 55.0681 34.1396 175.3707 118 F 5.2403 8.3484 117.9915 55.8450 43.5699 173.2786 119 L 4.8421 8.7267 126.2733 54.6707 44.9550 175.6555 120 A 4.0382 9.8587 128.1144 53.3744 15.9285 178.4776 121 G 3.5686 7.0268 109.1509 45.8822 0.0000 174.0182 122 E 4.9543 7.2855 118.3336 54.0177 31.8355 175.5253 123 I 4.0349 8.3669 121.7992 61.9330 37.0155 174.5517 124 R 4.3163 7.7664 122.9499 55.6017 32.4932 174.9995 125 E 4.6772 7.6909 119.0194 54.8449 31.9189 176.2210 126 T 4.2310 8.1416 111.0964 62.4739 70.9078 174.8728 127 S 4.2060 8.1923 116.4011 57.9749 61.8432 173.8183 128 Q 3.9551 8.6963 129.1896 59.3477 28.4026 179.3213 129 T 3.8244 7.8074 115.9207 66.7125 68.6304 176.6927 130 K 3.9830 7.7641 120.0711 59.3616 32.1400 179.8509 131 V 3.6030 7.9342 119.5762 64.8607 31.0991 178.5352 132 L 3.9499 7.9844 119.5369 57.3407 41.2794 179.0301 133 K 3.8483 8.2151 119.7791 59.5909 31.9375 178.6187 134 Q 3.9381 8.2229 119.5712 59.2757 28.9051 177.7406 135 L 3.8492 7.5848 118.5184 57.8872 41.6749 179.1047 136 L 4.3218 7.7608 117.1364 56.5977 41.7000 178.6063 137 M 4.1957 7.6249 118.6472 57.7946 32.2649 176.2371 138 L 4.0485 7.4934 117.1593 55.5750 42.4450 176.3863 139 Q 4.1775 8.7812 121.0529 56.7501 28.7153 173.9885 140 S 4.4774 7.4699 109.1284 58.4975 63.7367 174.0535 141 L 4.2511 7.7118 122.2195 53.8344 42.2655 176.2808 142 E 4.1004 8.9037 122.9643 56.7249 29.4400 176.3694 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 8.06 4.62 0.00 2.32 1.97 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 2 I 8.52 3.98 1.35 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.47 0.64 0.00 0.00 3 R 8.62 4.09 0.00 1.01 1.78 0.00 3.03 0.00 0.00 2.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 4 F 6.95 5.28 0.00 2.40 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 5 I 8.51 4.91 1.64 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.36 0.63 0.00 0.00 6 L 8.97 4.76 0.00 1.47 1.39 0.20 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.33 4.72 1.57 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.37 0.14 0.00 0.00 8 Q 8.96 5.30 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 9 N 8.38 5.68 0.00 3.07 3.03 0.00 0.00 6.74 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 10 R 8.58 4.20 0.00 1.88 2.14 0.00 3.20 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 11 A 8.27 4.41 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 12 G 8.52 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 13 K 8.44 4.03 0.00 1.92 1.73 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.53 7.81 14 T 8.34 4.18 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 1.18 0.00 0.00 15 R 8.47 4.62 0.00 1.63 1.85 0.00 3.20 0.00 0.00 3.12 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 16 L 7.49 4.16 0.00 1.56 1.24 0.28 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.22 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.18 4.10 0.00 1.55 1.34 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.31 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 0.51 7.81 19 W 8.57 5.01 0.00 3.21 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 20 Y 8.84 5.15 0.00 3.13 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 21 M 8.15 4.77 0.00 2.04 1.75 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 2.21 2.78 0.00 22 Q 8.29 4.08 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 23 F 8.18 5.13 0.00 2.55 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 0.00 0.00 0.00 0.00 24 D 8.93 4.67 0.00 2.66 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 25 D 8.35 4.20 0.00 2.63 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 26 D 8.05 4.29 0.00 2.72 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 27 E 7.77 3.86 0.00 2.18 1.72 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 2.40 2.36 0.00 28 K 7.85 2.78 0.00 1.57 1.47 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.62 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.72 0.21 7.81 29 Q 8.17 3.82 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 30 K 7.69 3.80 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.44 7.81 31 L 8.18 3.99 0.00 1.71 1.72 1.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.75 3.64 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.28 0.95 0.00 0.00 33 E 8.32 3.98 0.00 2.22 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 2.31 2.33 0.00 34 E 8.45 4.01 0.00 2.45 2.31 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 2.38 2.60 0.00 35 V 8.18 3.39 1.94 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 0.81 0.00 0.00 0.55 0.00 0.00 36 H 8.04 3.94 0.00 3.17 3.51 0.00 5.86 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 37 A 8.03 3.93 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 38 V 7.27 3.93 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 1.01 0.00 0.00 1.13 0.00 0.00 39 V 7.15 3.06 1.73 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 -0.35 0.00 0.00 -0.33 0.00 0.00 40 T 7.34 3.51 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 1.02 0.00 0.00 41 V 6.88 4.02 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 0.75 0.00 0.00 0.90 0.00 0.00 42 R 7.53 4.51 0.00 2.00 2.00 0.00 3.12 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 43 D 8.68 4.88 0.00 2.93 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 44 A 8.35 3.30 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 45 K 8.74 4.08 0.00 1.65 2.06 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 46 H 7.92 4.56 0.00 3.24 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.14 4.52 4.30 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 1.42 0.00 0.00 48 N 7.64 3.94 0.00 1.50 2.17 0.00 0.00 6.56 8.13 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 49 F 7.41 5.40 0.00 2.93 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 50 V 8.71 4.67 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 0.87 0.00 0.00 1.05 0.00 0.00 51 E 9.19 4.24 0.00 1.92 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 2.37 2.39 0.00 52 F 9.37 4.72 0.00 3.08 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 53 R 7.84 3.16 0.00 1.52 1.13 0.00 3.07 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 54 N 8.19 4.42 0.00 2.48 2.64 0.00 0.00 5.70 7.43 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 55 F 7.66 5.52 0.00 3.20 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 56 K 9.03 5.41 0.00 2.04 1.97 0.00 1.35 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.48 7.81 57 I 8.84 4.95 1.90 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.95 0.92 0.00 0.00 58 I 8.92 4.79 1.98 0.00 0.00 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 1.00 1.94 1.07 0.00 0.00 59 Y 7.75 5.96 0.00 3.11 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 60 R 8.74 4.62 0.00 1.87 2.05 0.00 3.20 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.34 0.00 61 R 8.80 4.81 0.00 2.02 1.77 0.00 3.19 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.00 62 Y 9.40 4.37 0.00 2.87 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 63 A 8.21 3.62 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 64 G 8.72 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 65 L 7.88 4.92 0.00 2.08 1.87 1.04 0.70 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 66 Y 9.05 5.04 0.00 3.10 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 67 F 9.74 4.82 0.00 3.35 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 68 C 9.09 5.37 0.00 2.82 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 69 I 8.87 4.63 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.93 0.40 0.00 0.00 70 C 8.10 4.66 0.00 1.70 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 71 V 8.63 4.70 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.92 0.00 0.00 72 D 8.68 4.84 0.00 2.95 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 73 V 8.65 3.65 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 0.84 0.00 0.00 1.00 0.00 0.00 74 N 8.09 4.78 0.00 2.87 2.90 0.00 0.00 6.01 8.06 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 75 D 7.66 4.66 0.00 3.03 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 76 N 8.62 4.37 0.00 2.73 2.68 0.00 0.00 7.09 6.71 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 77 N 8.61 4.37 0.00 2.32 2.28 0.00 0.00 7.06 6.74 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 78 L 7.99 4.09 0.00 1.70 1.75 0.95 1.19 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 79 A 8.43 3.92 1.17 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 0.00 0.00 80 Y 7.87 4.29 0.00 3.21 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 81 L 8.33 4.14 0.00 2.06 1.91 0.83 0.81 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 82 E 8.33 4.29 0.00 2.10 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 2.34 2.48 0.00 83 A 8.34 4.17 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 0.00 0.00 0.00 0.00 0.00 84 I 8.01 3.89 2.26 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.23 1.16 0.00 0.00 85 H 8.26 4.27 0.00 3.45 3.55 0.00 5.82 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 86 N 9.13 4.45 0.00 2.99 3.12 0.00 0.00 6.69 8.14 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 87 F 8.62 4.22 0.00 3.29 3.57 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 88 V 7.63 3.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 -0.61 0.00 0.00 89 E 8.13 3.87 0.00 2.13 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 2.25 2.26 0.00 90 V 7.67 3.55 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 0.97 0.00 0.00 0.99 0.00 0.00 91 L 7.72 4.12 0.00 1.82 1.82 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.33 4.44 0.00 2.83 2.91 0.00 0.00 7.23 7.18 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 93 E 7.72 4.06 0.00 2.22 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 2.47 2.44 0.00 94 Y 8.19 3.92 0.00 2.67 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 95 F 8.27 4.43 0.00 3.20 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 96 H 7.44 4.01 0.00 3.17 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.80 4.12 0.00 2.88 2.81 0.00 0.00 7.17 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 98 V 7.32 3.94 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 0.71 0.00 0.00 0.77 0.00 0.00 99 C 8.28 4.66 0.00 3.10 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 0.00 100 E 9.07 3.95 0.00 2.04 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 0.00 2.42 2.45 0.00 101 L 7.94 4.11 0.00 1.71 1.80 0.98 1.28 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 0.00 102 D 7.60 4.29 0.00 2.14 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 0.00 0.00 0.00 103 L 7.54 3.95 0.00 1.73 1.67 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.97 3.94 2.26 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 0.86 0.00 0.00 0.96 0.00 0.00 105 F 8.35 4.10 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.35 4.86 0.00 3.06 2.97 0.00 0.00 6.52 8.05 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 0.00 107 F 9.02 4.42 0.00 3.41 3.55 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 0.00 108 Y 6.21 3.90 0.00 2.74 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 0.00 0.00 0.00 109 K 7.42 4.22 0.00 1.99 1.98 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.68 1.51 7.81 110 V 7.53 3.75 2.44 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 1.06 0.00 0.00 1.06 0.00 0.00 111 Y 8.43 4.15 0.00 3.11 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 0.00 112 T 7.68 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 113 V 7.74 3.60 2.37 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 1.17 0.00 0.00 0.59 0.00 0.00 114 V 8.17 3.78 2.16 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 1.15 0.00 0.00 0.86 0.00 0.00 115 D 8.07 5.44 0.00 2.82 2.82 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 0.00 116 E 8.50 4.13 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 117 M 7.77 4.48 0.00 1.55 1.62 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.45 0.00 118 F 8.35 5.24 0.00 3.18 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.73 4.84 0.00 1.75 1.49 1.04 1.07 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 0.00 120 A 9.86 4.04 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 0.00 121 G 7.03 3.57 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 0.00 0.00 0.00 122 E 7.29 4.95 0.00 2.00 1.86 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 2.21 2.39 0.00 123 I 8.37 4.03 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.85 0.00 0.00 124 R 7.77 4.32 0.00 1.71 1.83 0.00 3.24 0.00 0.00 3.36 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 125 E 7.69 4.68 0.00 2.24 1.77 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 2.22 2.32 0.00 126 T 8.14 4.23 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 1.15 0.00 0.00 127 S 8.19 4.21 0.00 3.91 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 0.00 128 Q 8.70 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 129 T 7.81 3.82 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 0.00 130 K 7.76 3.98 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 131 V 7.93 3.60 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 0.90 0.00 0.00 0.88 0.00 0.00 132 L 7.98 3.95 0.00 1.95 1.75 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.22 3.85 0.00 1.94 1.99 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 134 Q 8.22 3.94 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.49 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 135 L 7.58 3.85 0.00 1.71 1.44 0.47 0.71 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 0.00 136 L 7.76 4.32 0.00 1.80 1.74 0.93 1.02 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 0.00 137 M 7.62 4.20 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 138 L 7.49 4.05 0.00 1.84 1.66 0.91 0.87 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 0.00 139 Q 8.78 4.18 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 140 S 7.47 4.48 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 0.00 141 L 7.71 4.25 0.00 1.68 1.66 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.90 4.10 0.00 1.91 1.86 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 2.30 2.39 0.00