NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4755 8.3644 120.1900 53.3583 42.9454 174.5695 2 V 3.6954 7.3608 117.9891 62.7987 32.7688 173.0113 3 Q 4.6291 8.4940 120.9392 55.6562 33.5058 172.0657 4 L 5.0178 8.8566 126.6172 54.0058 43.7044 176.5023 5 Q 4.6066 9.3640 123.9215 54.1865 30.9543 173.7274 6 E 4.8942 8.7182 124.0155 55.9709 31.7547 175.5950 7 S 4.8568 8.1184 114.7243 57.3273 66.9295 173.5501 8 G 4.0876 8.2662 107.9484 46.2371 0.0000 172.4629 9 P 4.5200 0.0000 0.0000 62.9069 29.7805 176.5206 10 G 3.7070 9.4246 101.2133 44.1117 0.0000 173.6210 11 L 5.3329 7.4226 126.0588 54.5416 44.5033 172.8585 12 V 4.3953 7.9396 117.6303 60.6801 35.9685 172.8170 13 K 4.5144 8.1712 120.1146 54.0871 33.5704 174.8702 14 P 5.1032 0.0000 0.0000 63.7680 31.7126 177.2772 15 S 4.1307 8.7031 115.0916 58.8047 61.2783 170.0535 16 Q 4.5066 7.5337 119.7079 54.6822 30.0324 175.6773 17 S 4.5029 8.5435 118.9120 58.6198 64.7073 172.5866 18 L 4.5412 8.7991 125.8469 53.5768 43.8288 175.0636 19 S 4.5947 8.5064 120.6465 56.7076 64.0940 172.6846 20 L 4.6043 8.3111 127.6054 53.4972 44.3636 176.1676 21 T 4.9654 8.4084 117.8641 62.1592 72.2229 172.0535 22 C 5.3798 8.2078 126.0354 54.8639 43.6031 173.5122 23 T 4.3798 8.8416 116.9982 60.8152 70.9687 173.7136 24 V 4.9963 7.9288 119.9433 61.6225 34.2846 174.7108 25 T 4.5865 8.7490 122.9396 62.7159 72.6320 174.9888 26 G 4.0746 10.5369 112.0368 45.8602 0.0000 172.7116 27 Y 4.8199 7.2424 118.3597 57.2748 41.0867 173.0043 28 S 4.6381 6.6863 111.3020 57.1179 65.6618 174.4856 29 I 3.4713 7.9336 125.8857 61.3874 36.7425 177.3719 30 T 5.2372 7.2539 109.5163 60.7777 71.3563 175.1795 31 N 4.1500 8.4085 118.5027 55.1912 37.9774 174.8761 32 N 4.2871 5.7700 116.3347 52.5370 43.1604 172.6519 33 Y 3.6063 7.7517 116.5172 57.2391 36.5604 167.5591 34 A 4.9482 7.9369 120.8169 50.2006 23.2488 175.3062 35 W 4.6692 9.3628 118.3186 55.1459 32.2959 175.4465 36 N 5.9303 8.6329 122.1555 51.1179 41.2750 174.5273 37 W 6.0808 8.4839 118.8883 55.1701 30.5127 172.3727 38 I 4.9037 8.9869 122.3513 59.6314 38.7623 175.4961 39 R 4.6187 8.7806 124.5082 55.2159 32.0854 175.4673 40 Q 5.5339 8.7189 121.5425 53.2422 31.5079 175.2199 41 F 4.6611 8.4308 125.4455 56.6668 39.7243 174.8508 42 P 4.3541 0.0000 0.0000 65.5244 31.4846 177.6436 43 G 3.9303 8.2755 106.5933 45.3336 0.0000 173.8971 44 N 4.1543 8.2328 113.8364 53.4274 37.2926 174.3404 45 K 4.4557 7.8155 119.7687 56.2334 34.0216 175.3645 46 L 5.3622 8.4714 122.1063 52.8192 44.8727 175.7950 47 E 4.7700 9.3381 124.7673 54.0004 32.5583 174.5543 48 W 4.7832 9.1469 135.0000 57.6395 31.7778 175.1268 49 M 3.8934 8.4309 126.1502 56.3372 32.9085 176.3651 50 G 3.6539 6.6693 102.1738 47.0466 0.0000 170.7632 51 Y 6.2224 9.0766 115.9594 57.1285 41.7279 173.8926 52 I 4.8213 8.4728 114.5051 59.3618 41.4462 173.0670 53 N 5.5786 8.0606 117.9874 51.2488 40.3959 173.6768 54 Y 5.1611 9.3082 115.8716 59.6622 37.9545 179.2306 55 S 3.6138 6.8825 113.5548 60.1729 63.7221 174.1582 56 G 3.7727 8.5947 116.0532 45.7103 0.0000 173.3948 57 T 3.8624 6.6376 116.1863 62.2703 67.9103 172.0398 58 T 4.7298 7.7754 114.1091 60.5631 72.2894 172.6392 59 S 4.4680 8.7999 115.7151 57.3019 66.5266 172.3849 60 Y 5.2854 8.1985 122.3708 55.6391 42.4212 173.8792 61 N 4.8042 9.2083 119.9038 52.9207 39.1085 173.9560 62 P 4.4060 0.0000 0.0000 65.7280 30.9844 177.8479 63 S 4.4810 8.3557 113.2402 61.0240 63.9152 176.2373 64 L 4.1341 7.9831 122.3270 56.5300 41.3761 179.3319 65 K 4.2454 8.0303 119.5370 59.6446 31.8848 178.7341 66 S 4.3776 8.2189 112.0831 60.6668 62.7710 174.6869 67 R 4.8062 8.8794 119.2546 55.5237 31.3312 174.4212 68 I 4.8442 7.4301 112.7450 60.6421 41.3023 173.5510 69 S 4.2108 7.5945 114.0508 58.4959 66.1424 175.8751 70 I 5.4874 8.7860 120.4492 60.6693 41.5266 174.8599 71 T 4.8694 8.9925 113.0781 62.0413 71.9845 172.6236 72 R 4.6837 8.5700 114.8254 56.1740 32.0441 174.5585 73 D 4.8067 9.1502 121.4449 52.1803 39.7883 176.7726 74 T 3.8198 7.9795 112.9719 64.3999 69.3250 176.4818 75 S 4.2539 8.0949 115.3426 60.9712 63.4985 175.6215 76 K 3.9832 9.4974 120.0648 56.3071 32.3770 175.4101 77 N 3.9684 9.3922 118.2801 52.9236 36.3085 172.0042 78 Q 4.7513 7.0055 118.8724 54.6051 34.3827 173.7326 79 F 4.7399 7.7027 114.4630 55.0361 41.9694 173.7661 80 F 5.4531 9.5727 118.3103 55.8417 42.6365 173.7962 81 L 4.8156 8.6976 125.8033 53.8547 44.0166 175.0095 82 Q 4.7901 8.7339 126.3165 54.4033 32.3125 173.1058 83 L 5.0065 8.4762 128.9465 53.2862 44.7837 174.5904 84 N 5.0306 9.2764 124.1594 51.5555 40.2048 174.9832 85 S 3.4921 8.4994 117.1133 59.0774 61.0155 170.9804 86 V 3.9566 7.9085 123.9803 63.4060 31.5050 175.4391 87 T 4.7072 8.4155 120.9004 61.0415 71.5131 175.2301 88 T 3.9576 7.9468 116.0587 67.3391 68.6600 176.5601 89 E 4.0253 8.4091 119.2929 59.8036 29.4489 178.3073 90 D 4.6391 7.5634 116.8103 56.3679 40.9827 176.5694 91 T 3.8384 8.2843 116.7898 64.6511 68.9054 173.1181 92 A 4.3322 7.7149 127.7212 52.4325 24.7858 174.5831 93 T 4.7579 7.9947 111.3227 62.2962 71.3564 173.6832 94 Y 5.0956 8.1196 120.8454 56.4456 42.0978 174.8239 95 F 5.8724 9.1597 118.5141 56.3404 44.3602 170.9276 96 C 5.8149 9.3106 116.6873 53.0652 45.3520 173.0922 97 V 4.6250 7.8266 114.5736 59.1682 36.1100 174.4891 98 R 3.3827 8.1531 125.2424 56.0351 30.8634 176.0425 99 G 3.9573 8.4438 116.1965 45.6625 0.0000 172.0585 100 Y 4.2513 8.3965 128.4242 56.3785 40.9099 173.5106 101 D 4.1918 7.4930 119.5622 54.3743 41.8217 176.0634 102 Y 3.3504 8.8254 117.5047 58.2379 35.7547 168.1416 103 F 4.0326 8.3427 124.7941 57.9802 36.7989 174.8922 104 A 4.3236 8.1618 123.0284 51.0586 19.8851 172.4596 105 M 4.5004 8.7837 119.4528 55.6202 31.7334 175.9146 106 D 4.6114 8.1958 122.1026 53.0317 40.6814 176.2715 107 Y 4.6477 7.3258 117.1217 57.7641 41.4888 173.2616 108 W 4.7756 9.1334 124.8741 54.8496 31.2861 176.6355 109 G 4.2080 8.5972 109.8384 45.7827 0.0000 173.8082 110 Q 4.3849 9.3410 120.1334 59.9910 28.4663 176.7393 111 G 4.5102 7.1470 102.9935 42.6863 0.0000 172.0698 112 T 4.5559 7.4228 114.6271 60.6917 71.2796 172.1611 113 S 4.8293 8.7014 123.7021 56.9493 63.6327 172.9456 114 V 4.4923 8.4842 127.3876 61.4333 34.0106 174.2878 115 T 4.7173 8.5390 123.5646 61.6620 71.9224 174.6416 116 V 3.9686 7.8878 122.1862 63.1042 31.7822 175.1907 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 D 8.36 4.48 0.00 2.65 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 2 V 7.36 3.70 0.97 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 0.70 0.00 0.00 0.70 0.00 0.00 3 Q 8.49 4.63 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 4 L 8.86 5.02 0.00 1.71 1.76 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.36 4.61 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 6 E 8.72 4.89 0.00 2.33 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 2.55 2.43 0.00 7 S 8.12 4.86 0.00 3.94 3.99 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 8 G 8.27 4.09 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 0.00 9 P 0.00 4.52 0.00 2.13 1.55 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 10 G 9.42 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.42 5.33 0.00 1.65 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.94 4.40 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 0.64 0.00 0.00 0.91 0.00 0.00 13 K 8.17 4.51 0.00 1.79 1.69 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 14 P 0.00 5.10 0.00 2.03 2.01 0.00 3.79 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 2.03 2.10 0.00 15 S 8.70 4.13 0.00 4.03 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 16 Q 7.53 4.51 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 17 S 8.54 4.50 0.00 3.72 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 18 L 8.80 4.54 0.00 1.55 1.31 0.59 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.51 4.59 0.00 3.76 3.62 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 20 L 8.31 4.60 0.00 1.02 0.86 0.56 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.41 4.97 4.33 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 1.41 0.00 0.00 22 C 8.21 5.38 0.00 3.15 1.54 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 23 T 8.84 4.38 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 1.21 0.00 0.00 24 V 7.93 5.00 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 0.91 0.00 0.00 25 T 8.75 4.59 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 1.23 0.00 0.00 26 G 10.54 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.24 4.82 0.00 2.92 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 28 S 6.69 4.64 0.00 3.56 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 29 I 7.93 3.47 1.47 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.28 -0.36 0.00 0.00 30 T 7.25 5.24 4.20 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 1.17 0.00 0.00 31 N 8.41 4.15 0.00 2.16 2.56 0.00 0.00 6.67 7.79 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 32 N 5.77 4.29 0.00 2.16 1.59 0.00 0.00 7.39 7.62 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 33 Y 7.75 3.61 0.00 2.94 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 34 A 7.94 4.95 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 9.36 4.67 0.00 2.81 2.19 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 36 N 8.63 5.93 0.00 2.69 2.92 0.00 0.00 6.61 7.21 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 37 W 8.48 6.08 0.00 3.30 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 38 I 8.99 4.90 2.21 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 1.76 1.47 1.27 0.00 0.00 39 R 8.78 4.62 0.00 1.24 1.80 0.00 2.21 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.00 40 Q 8.72 5.53 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 41 F 8.43 4.66 0.00 3.17 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 42 P 0.00 4.35 0.00 2.08 2.15 0.00 3.85 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 43 G 8.28 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 44 N 8.23 4.15 0.00 2.91 2.93 0.00 0.00 6.81 6.98 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 45 K 7.82 4.46 0.00 2.00 1.96 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.65 1.54 7.81 46 L 8.47 5.36 0.00 1.62 1.67 0.90 0.88 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 47 E 9.34 4.77 0.00 2.27 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 0.00 2.36 2.44 0.00 48 W 9.15 4.78 0.00 3.29 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 49 M 8.43 3.89 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 50 G 6.67 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 51 Y 9.08 6.22 0.00 3.18 3.42 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 52 I 8.47 4.82 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.05 0.00 0.00 53 N 8.06 5.58 0.00 3.04 2.80 0.00 0.00 6.96 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 54 Y 9.31 5.16 0.00 3.44 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 55 S 6.88 3.61 0.00 3.55 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.59 3.77 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 0.00 0.00 0.00 57 T 6.64 3.86 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 1.13 0.00 0.00 58 T 7.78 4.73 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 1.23 0.00 0.00 59 S 8.80 4.47 0.00 4.13 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 60 Y 8.20 5.29 0.00 2.93 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 61 N 9.21 4.80 0.00 2.78 2.66 0.00 0.00 7.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.41 0.00 2.35 2.33 0.00 4.06 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 63 S 8.36 4.48 0.00 4.09 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 64 L 7.98 4.13 0.00 1.74 1.70 0.99 0.95 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 65 K 8.03 4.25 0.00 1.90 2.01 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.33 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.80 1.84 7.81 66 S 8.22 4.38 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.88 4.81 0.00 1.81 2.07 0.00 2.75 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 68 I 7.43 4.84 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.23 0.83 0.00 0.00 69 S 7.59 4.21 0.00 3.96 3.87 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 70 I 8.79 5.49 2.30 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.93 1.36 0.00 0.00 71 T 8.99 4.87 4.44 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 0.00 0.00 0.00 1.33 0.00 0.00 72 R 8.57 4.68 0.00 1.93 1.87 0.00 2.88 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 D 9.15 4.81 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.98 3.82 4.19 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 1.17 0.00 0.00 75 S 8.09 4.25 0.00 3.99 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 76 K 9.50 3.98 0.00 1.90 1.91 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 77 N 9.39 3.97 0.00 2.86 2.79 0.00 0.00 6.82 6.66 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 78 Q 7.01 4.75 0.00 1.60 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 79 F 7.70 4.74 0.00 3.12 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 80 F 9.57 5.45 0.00 3.11 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 81 L 8.70 4.82 0.00 0.38 0.76 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.73 4.79 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 83 L 8.48 5.01 0.00 1.58 1.34 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 N 9.28 5.03 0.00 2.56 2.67 0.00 0.00 6.97 7.16 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 85 S 8.50 3.49 0.00 4.12 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 86 V 7.91 3.96 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 1.03 0.00 0.00 0.95 0.00 0.00 87 T 8.42 4.71 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 1.22 0.00 0.00 88 T 7.95 3.96 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 1.22 0.00 0.00 89 E 8.41 4.03 0.00 1.97 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 2.29 0.00 90 D 7.56 4.64 0.00 2.86 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 91 T 8.28 3.84 4.32 0.00 0.00 0.00 0.00 0.00 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 92 A 7.71 4.33 0.99 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 0.00 0.00 93 T 7.99 4.76 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 0.91 0.00 0.00 94 Y 8.12 5.10 0.00 2.83 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 95 F 9.16 5.87 0.00 3.69 3.24 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 0.00 96 C 9.31 5.81 0.00 3.06 1.89 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 97 V 7.83 4.63 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 -0.86 0.00 0.00 0.25 0.00 0.00 98 R 8.15 3.38 0.00 1.64 1.77 0.00 3.07 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.91 0.00 99 G 8.44 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 0.00 0.00 0.00 100 Y 8.40 4.25 0.00 2.82 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 0.00 101 D 7.49 4.19 0.00 2.90 2.56 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 0.00 0.00 0.00 0.00 102 Y 8.83 3.35 0.00 2.96 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 0.00 103 F 8.34 4.03 0.00 3.15 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 0.00 104 A 8.16 4.32 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 0.00 105 M 8.78 4.50 0.00 1.16 1.70 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.49 0.00 106 D 8.20 4.61 0.00 2.06 2.47 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 0.00 0.00 0.00 0.00 107 Y 7.33 4.65 0.00 2.78 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 0.00 108 W 9.13 4.78 0.00 3.10 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 0.00 109 G 8.60 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 0.00 0.00 0.00 0.00 110 Q 9.34 4.38 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 111 G 7.15 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 0.00 0.00 0.00 0.00 112 T 7.42 4.56 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 1.33 0.00 0.00 113 S 8.70 4.83 0.00 3.90 3.75 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 0.00 114 V 8.48 4.49 2.39 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 0.99 0.00 0.00 1.05 0.00 0.00 115 T 8.54 4.72 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 1.22 0.00 0.00 116 V 7.89 3.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00