NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6283 8.3649 120.5272 54.2975 41.6997 174.2768 3 V 4.7061 8.1679 116.7062 57.7876 35.8035 173.4622 4 T 4.6588 9.4582 113.7594 60.0758 71.9188 172.7016 5 I 4.8841 8.3446 125.2425 59.8225 38.7279 174.5056 6 E 4.8799 9.3229 128.4608 54.0285 32.8962 174.8659 7 R 4.1625 8.7751 126.2389 56.1286 31.1359 176.0846 8 V 3.9241 8.0759 126.2704 62.3855 31.1223 174.9454 9 N 5.1270 8.5880 123.8185 52.7063 40.0963 175.0198 10 D 4.6609 7.6465 116.9635 52.0874 42.0426 175.0648 11 F 4.6069 8.9664 125.2034 60.4946 39.1848 176.3531 12 D 4.8607 8.5319 117.8346 54.9792 40.6110 176.8094 13 G 3.8392 8.0318 107.5698 45.1273 0.0000 173.2964 14 Y 4.4187 7.5002 115.9141 55.5706 41.2181 175.1310 15 N 4.5973 8.4359 121.4712 52.8442 38.3864 175.4013 16 W 4.6485 8.6003 125.7429 57.3386 29.5527 178.2219 17 L 4.0722 8.2724 120.3851 57.4622 41.0643 177.4301 18 P 4.2900 0.0000 0.0000 65.5748 31.3065 178.3763 19 L 4.1248 8.0323 118.5861 58.1628 42.1246 178.8258 20 L 3.9435 8.3727 118.9336 57.6324 41.5141 179.4263 21 A 3.9864 8.3739 120.9494 55.2133 18.4980 179.9041 22 K 4.0304 8.3301 117.4266 59.5490 32.0836 179.8312 23 S 4.1584 7.9767 115.9552 60.9048 62.8013 176.3901 24 S 4.1549 8.0614 116.9649 61.2097 61.9044 175.9783 25 Q 4.0318 8.0370 119.4652 59.1672 28.6206 178.4144 26 E 4.2434 8.0339 116.4811 56.9878 29.7191 177.7410 27 G 3.7826 7.9965 107.6333 45.1133 0.0000 173.0570 28 F 4.8484 7.9441 118.2484 56.4107 40.2852 176.5450 29 Q 4.4739 8.6040 122.7252 56.0143 29.0306 177.7756 30 L 4.2022 7.8440 121.1144 58.6292 40.5747 179.0270 31 V 3.5695 7.4529 118.0407 65.5458 31.8604 176.9864 32 E 4.0210 8.0026 118.5715 59.3014 29.4389 179.7689 33 R 4.0003 8.1079 115.2816 56.8846 29.7971 178.4720 *35 L 3.7214 7.9037 121.1981 54.7266 43.5754 179.5596 36 R 3.7710 8.1243 117.0124 58.9134 30.1463 177.1951 37 N 4.7256 8.0611 113.7509 52.8963 38.6208 176.9452 38 R 4.2399 7.2679 116.6094 57.8381 29.6423 179.1839 39 R 3.9217 7.7934 117.6507 59.0752 30.4961 177.6015 40 E 4.0935 8.1252 116.0370 58.2703 29.9428 176.5296 41 E 4.3248 8.1639 121.3297 54.3920 29.4430 176.2673 42 S 4.7122 8.0989 116.5617 57.3190 63.9758 175.2450 43 F 3.6881 7.5737 118.5538 58.6205 36.3995 176.2465 44 Q 4.4149 7.9229 118.9380 56.0496 29.8426 175.9711 45 E 4.6943 8.3240 118.4695 54.5793 30.8651 175.3053 46 D 4.3225 8.3501 119.7324 56.3835 41.1117 177.4549 47 G 4.1047 10.0131 110.5361 45.5632 0.0000 172.6635 48 E 4.3717 7.6854 115.1524 54.9507 33.0731 174.8499 49 A 4.5269 7.3696 119.5668 52.3970 23.3897 175.2431 *51 F 4.9700 8.5484 111.5663 57.9524 41.0985 174.7983 52 V 5.0494 8.7779 113.4171 59.6018 35.8338 174.3999 53 A 5.0870 8.7775 125.5377 50.6014 20.9185 175.8989 54 L 5.1977 8.9131 123.5830 52.7108 44.6552 177.2545 55 S 4.7081 9.0077 119.0117 57.7335 63.8893 175.1319 56 T 4.0004 8.3822 110.1275 63.8762 68.4821 175.0062 57 T 4.4554 7.6793 111.8437 60.9271 68.8933 173.7708 58 N 4.1884 7.8514 116.6735 55.0627 36.8813 174.1690 59 Q 4.4884 7.6683 115.1285 54.0548 30.7483 175.5393 60 V 4.0830 8.1581 121.6953 62.9914 31.9306 175.5137 61 L 4.6783 8.8610 126.8007 55.1998 43.7242 175.8973 62 A 5.0583 7.4968 118.4939 51.4321 22.5538 174.6212 63 C 5.3725 9.2878 113.6916 56.2511 33.7926 173.3447 64 G 4.5308 8.3057 110.0839 47.0313 0.0000 173.1677 65 G 4.4371 8.0603 107.8394 46.3142 0.0000 171.0971 66 Y 6.0031 8.4504 118.2024 56.1763 42.1811 173.7091 *68 K 4.0590 8.3703 119.9440 56.1549 33.2887 174.6198 69 Q 4.2855 8.4793 129.2312 55.2386 29.4115 175.8965 70 S 4.1244 8.6837 121.8002 59.5033 63.6730 175.4984 71 G 4.0040 8.8951 110.5195 45.7112 0.0000 173.1828 72 Q 4.6264 7.5311 117.7215 53.8031 31.2575 174.9730 73 A 4.4848 8.4050 124.0458 52.3584 20.2880 177.4136 74 R 4.6327 8.7619 117.8430 57.4249 28.1827 175.4496 75 T 5.0487 7.7069 113.5496 61.7820 71.6780 173.5648 76 G 3.3729 8.5999 113.3460 44.0538 0.0000 172.0097 77 R 5.0466 7.9942 121.5229 54.2179 32.6387 174.6977 78 I 4.6925 8.4568 128.1618 61.0886 37.9716 175.6741 79 R 4.5345 8.7717 125.7525 54.9616 34.4321 175.1120 80 H 4.1172 8.6569 116.2697 56.9462 26.1028 175.0615 81 V 4.2985 7.9521 119.3010 62.7535 31.9798 174.5823 82 Y 4.6327 9.0262 128.6360 56.3368 42.6191 173.2359 83 V 4.4510 7.2978 125.9547 60.4243 34.1140 175.0190 84 L 3.9818 8.7109 127.8402 54.8674 42.3233 176.3427 85 P 4.1410 0.0000 0.0000 65.7900 31.3893 178.3025 86 E 4.0615 8.2108 112.9879 58.0125 29.7159 176.9490 87 A 4.5390 7.7345 121.3146 51.8853 19.7092 177.2160 88 R 3.9735 7.3980 114.9359 57.1460 30.6027 176.3569 89 S 3.8489 8.5307 113.0446 60.2005 59.7871 171.1763 90 H 4.7727 8.1794 113.6689 55.4042 29.8694 174.7375 91 G 3.9980 8.3049 107.8057 45.8786 0.0000 176.0134 92 I 3.7396 7.7600 121.2044 64.3022 37.1147 178.1795 93 G 3.5048 7.9324 106.0068 48.1018 0.0000 175.4827 94 T 4.0788 8.0435 117.4871 66.5001 68.6145 176.3778 95 A 3.9894 8.0429 122.5989 54.8842 18.3150 179.4103 96 L 3.8182 8.2852 119.1673 58.4386 42.0337 179.2740 97 L 4.1198 8.1689 117.7832 57.9128 41.6342 179.0460 98 E 4.2120 8.3513 117.9425 59.1803 29.6511 179.1158 99 K 4.0777 7.9911 119.5533 59.4477 32.2150 179.2790 100 I 3.6104 7.5515 116.1576 62.7531 36.6849 177.5056 *102 S 4.5010 7.8981 116.0402 58.4151 64.2445 174.7151 103 E 4.0794 8.2674 120.6514 59.0493 29.8500 178.5643 104 A 3.3928 7.9322 122.1287 54.8559 18.3331 178.9483 105 F 4.8561 7.4406 111.3488 58.5174 39.0449 176.3256 106 L 4.2302 7.8237 120.8895 56.8137 41.7534 177.8629 107 T 4.2136 7.6544 113.5330 63.7101 70.1123 174.0548 108 Y 4.9125 7.8222 117.7820 56.3484 40.7554 175.7629 109 D 4.9373 9.1395 121.9394 55.2183 42.4265 176.1386 110 R 5.3080 7.9570 118.6009 54.8998 34.0321 173.2670 111 L 5.2148 9.2169 125.2031 53.0982 45.0650 175.9547 112 V 5.2291 8.6405 115.5271 59.9622 36.3313 174.2066 113 L 4.6378 8.3799 120.8347 55.2372 44.2131 173.2924 114 Y 4.7138 8.4434 120.6422 55.8799 40.6886 174.9657 115 S 4.4925 8.8813 121.8674 56.6420 64.6386 173.5961 116 E 4.1077 8.9045 127.6936 58.0548 29.6732 177.4704 117 Q 4.6123 8.1738 114.6852 55.5779 31.1979 175.0654 118 A 4.8648 7.7540 121.4698 50.9434 19.6711 177.4506 119 D 4.4664 8.4296 123.0516 57.7771 41.7107 174.9986 120 P 4.2847 0.0000 0.0000 65.5516 31.0512 178.0477 121 F 4.1811 8.2194 118.7527 61.8695 39.3286 176.7442 122 Y 3.8414 7.6444 115.7434 60.9917 37.5524 178.4229 123 Q 4.5816 8.2171 121.0695 58.4134 28.5823 178.9900 124 G 3.6485 8.1354 105.9942 47.3332 0.0000 174.9102 125 L 4.3406 7.2291 118.6875 54.7808 42.0603 177.5237 126 G 4.0685 8.0315 106.5354 44.8508 0.0000 174.3433 127 F 4.4480 8.4308 119.2647 57.5886 40.4942 173.9779 128 Q 4.6356 9.2423 124.2379 54.4839 30.6726 174.4994 129 L 4.5048 8.6226 128.9873 55.3178 42.6631 176.2055 130 V 4.6096 8.6891 119.3001 59.6395 35.7407 176.1804 131 S 4.5440 8.7672 118.0447 56.7775 62.2680 173.5164 132 G 4.2809 7.9916 114.5848 43.6988 0.0000 170.6009 133 E 4.0956 9.0646 123.6089 58.6792 29.8572 178.3653 134 K 4.5107 8.0030 117.2119 54.1512 33.4826 178.2580 135 I 5.0823 7.5422 109.9524 60.3552 40.7275 175.2835 136 T 4.2531 8.8833 111.8389 62.4305 71.4716 173.6675 137 H 5.4557 7.8708 117.7147 54.3929 33.4886 172.3522 138 T 5.3701 9.1039 115.2524 60.8875 71.6278 172.3729 139 L 4.8074 8.9020 127.4172 54.1272 45.9619 174.6737 140 D 5.1199 8.7859 126.0175 53.3192 42.3466 177.3193 141 K 2.7858 8.9235 123.9347 59.5195 32.0917 179.4553 142 T 3.7818 7.8172 109.4056 64.7071 68.6906 176.1863 143 A 3.8970 7.7831 123.0361 54.7579 18.6071 179.0397 144 F 3.9020 8.0235 118.9678 61.4301 38.9895 177.2397 145 A 3.8835 8.6685 123.0482 55.7830 17.9375 179.8888 146 D 4.3544 7.8355 118.6181 58.5185 39.9377 180.1896 147 S 4.5462 7.5454 112.6242 59.0184 63.0146 174.0004 148 N 4.5939 6.9765 117.3394 54.5264 40.4992 174.7435 149 R 4.0393 8.7549 118.3466 56.3234 29.5804 176.0810 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 2 D 8.36 4.63 0.00 2.67 2.70 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 3 V 8.17 4.71 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 4 T 9.46 4.66 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 5 I 8.34 4.88 1.80 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 1.21 0.83 0.85 0.00 0.00 6 E 9.32 4.88 0.00 2.04 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 2.30 2.31 0.00 7 R 8.78 4.16 0.00 2.03 1.87 0.00 3.29 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 8 V 8.08 3.92 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.69 0.00 0.00 9 N 8.59 5.13 0.00 2.74 2.84 0.00 0.00 6.96 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 10 D 7.65 4.66 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.61 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 12 D 8.53 4.86 0.00 2.94 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 13 G 8.03 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 14 Y 7.50 4.42 0.00 1.98 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 0.00 0.00 0.00 0.00 15 N 8.44 4.60 0.00 2.64 2.72 0.00 0.00 7.03 7.95 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 16 W 8.60 4.65 0.00 3.50 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 17 L 8.27 4.07 0.00 1.90 1.78 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.29 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.83 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 19 L 8.03 4.12 0.00 1.96 1.91 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.37 3.94 0.00 1.95 1.72 0.98 0.86 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 21 A 8.37 3.99 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 22 K 8.33 4.03 0.00 1.98 2.07 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.69 7.81 23 S 7.98 4.16 0.00 3.50 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 24 S 8.06 4.15 0.00 3.94 4.12 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 25 Q 8.04 4.03 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 26 E 8.03 4.24 0.00 2.39 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 2.45 2.65 0.00 27 G 8.00 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 0.00 0.00 0.00 28 F 7.94 4.85 0.00 3.12 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.60 4.47 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 30 L 7.84 4.20 0.00 1.88 1.87 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.45 3.57 1.90 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 0.79 0.00 0.00 0.67 0.00 0.00 32 E 8.00 4.02 0.00 2.01 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 2.32 2.35 0.00 33 R 8.11 4.00 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 *35 L 7.90 3.72 0.00 1.42 1.36 0.40 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.12 3.77 0.00 1.73 1.91 0.00 3.08 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 37 N 8.06 4.73 0.00 2.79 2.74 0.00 0.00 6.72 6.94 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 38 R 7.27 4.24 0.00 1.16 1.45 0.00 2.21 0.00 0.00 2.78 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 39 R 7.79 3.92 0.00 1.77 1.99 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 40 E 8.13 4.09 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.89 0.00 41 E 8.16 4.32 0.00 1.86 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 2.02 2.08 0.00 42 S 8.10 4.71 0.00 4.07 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 43 F 7.57 3.69 0.00 3.35 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.92 4.41 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 45 E 8.32 4.69 0.00 2.05 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 2.36 2.38 0.00 46 D 8.35 4.32 0.00 2.67 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 47 G 10.01 4.10 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 0.00 0.00 0.00 48 E 7.69 4.37 0.00 1.94 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 2.25 2.20 0.00 49 A 7.37 4.53 0.84 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 *51 F 8.55 4.97 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.78 5.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.55 0.00 0.00 53 A 8.78 5.09 1.23 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 0.00 0.00 54 L 8.91 5.20 0.00 1.55 1.57 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.01 4.71 0.00 3.94 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 56 T 8.38 4.00 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 1.24 0.00 0.00 57 T 7.68 4.46 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 58 N 7.85 4.19 0.00 2.87 2.91 0.00 0.00 6.79 7.12 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 59 Q 7.67 4.49 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 60 V 8.16 4.08 1.90 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 0.63 0.00 0.00 0.47 0.00 0.00 61 L 8.86 4.68 0.00 1.55 1.64 0.89 0.71 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 62 A 7.50 5.06 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 63 C 9.29 5.37 0.00 3.10 3.28 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 64 G 8.31 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.06 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 0.00 0.00 0.00 0.00 66 Y 8.45 6.00 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 K 8.37 4.06 0.00 1.98 1.82 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.63 7.81 69 Q 8.48 4.29 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 70 S 8.68 4.12 0.00 4.02 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 71 G 8.90 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 72 Q 7.53 4.63 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 73 A 8.41 4.48 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 74 R 8.76 4.63 0.00 2.10 2.21 0.00 3.32 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 75 T 7.71 5.05 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 1.19 0.00 0.00 76 G 8.60 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.99 5.05 0.00 1.94 1.73 0.00 3.30 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 78 I 8.46 4.69 1.78 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.97 0.00 0.00 79 R 8.77 4.53 0.00 1.73 1.47 0.00 3.29 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 80 H 8.66 4.12 0.00 3.21 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.95 4.30 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 0.83 0.00 0.00 1.08 0.00 0.00 82 Y 9.03 4.63 0.00 3.00 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 83 V 7.30 4.45 1.75 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 0.72 0.00 0.00 0.72 0.00 0.00 84 L 8.71 3.98 0.00 1.59 1.61 1.01 0.98 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 85 P 0.00 4.14 0.00 2.20 2.15 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 86 E 8.21 4.06 0.00 2.08 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 2.28 2.30 0.00 87 A 7.73 4.54 1.24 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 0.00 0.00 88 R 7.40 3.97 0.00 1.82 1.74 0.00 3.16 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 89 S 8.53 3.85 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.18 4.77 0.00 3.04 3.23 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.30 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 92 I 7.76 3.74 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.88 0.00 0.00 93 G 7.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.04 4.08 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 1.27 0.00 0.00 95 A 8.04 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.29 3.82 0.00 1.85 1.98 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.17 4.12 0.00 1.94 1.84 1.15 1.22 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 98 E 8.35 4.21 0.00 2.01 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 0.00 2.43 2.54 0.00 99 K 7.99 4.08 0.00 1.77 1.61 0.00 1.41 0.00 0.00 0.97 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.27 7.81 100 I 7.55 3.61 2.11 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 1.86 0.66 1.05 0.00 0.00 *102 S 7.90 4.50 0.00 4.12 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 0.00 103 E 8.27 4.08 0.00 2.18 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 2.52 2.41 0.00 104 A 7.93 3.39 0.44 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 0.00 0.00 0.00 105 F 7.44 4.86 0.00 2.71 2.85 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 0.00 0.00 0.00 106 L 7.82 4.23 0.00 1.77 1.74 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.65 4.21 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 0.35 0.00 0.00 108 Y 7.82 4.91 0.00 2.90 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 9.14 4.94 0.00 2.68 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 0.00 110 R 7.96 5.31 0.00 1.93 1.78 0.00 3.16 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 111 L 9.22 5.21 0.00 1.56 1.45 -0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.64 5.23 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 0.78 0.00 0.00 0.97 0.00 0.00 113 L 8.38 4.64 0.00 1.46 1.45 -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.44 4.71 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.88 4.49 0.00 3.67 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 0.00 116 E 8.90 4.11 0.00 2.10 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 2.26 2.14 0.00 117 Q 8.17 4.61 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.26 1.88 0.00 118 A 7.75 4.86 1.29 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 0.00 0.00 0.00 119 D 8.43 4.47 0.00 2.91 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 0.00 120 P 0.00 4.28 0.00 2.24 2.13 0.00 3.67 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 2.15 2.19 0.00 121 F 8.22 4.18 0.00 2.84 2.93 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 0.00 122 Y 7.64 3.84 0.00 2.75 2.53 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 0.00 123 Q 8.22 4.58 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 124 G 8.14 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 0.00 125 L 7.23 4.34 0.00 1.99 1.85 0.26 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.03 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 0.00 127 F 8.43 4.45 0.00 3.33 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 0.00 128 Q 9.24 4.64 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 129 L 8.62 4.50 0.00 1.68 1.56 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.69 4.61 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 0.78 0.00 0.00 0.95 0.00 0.00 131 S 8.77 4.54 0.00 3.97 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 0.00 132 G 7.99 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 0.00 0.00 0.00 0.00 133 E 9.06 4.10 0.00 1.96 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 2.28 2.30 0.00 134 K 8.00 4.51 0.00 1.79 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.96 7.81 135 I 7.54 5.08 1.99 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 1.51 0.72 0.94 0.00 0.00 136 T 8.88 4.25 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 0.58 0.00 0.00 137 H 7.87 5.46 0.00 2.74 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 9.10 5.37 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 139 L 8.90 4.81 0.00 1.17 1.18 0.87 0.90 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 0.00 140 D 8.79 5.12 0.00 2.74 2.55 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 0.00 141 K 8.92 2.79 0.00 1.80 1.70 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 0.93 7.81 142 T 7.82 3.78 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 1.18 0.00 0.00 143 A 7.78 3.90 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 0.00 144 F 8.02 3.90 0.00 2.68 2.55 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 0.00 145 A 8.67 3.88 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 0.00 146 D 7.84 4.35 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.55 4.55 0.00 3.74 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 0.00 148 N 6.98 4.59 0.00 2.57 2.56 0.00 0.00 6.95 7.54 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 0.00 149 R 8.75 4.04 0.00 1.69 1.84 0.00 3.05 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.