NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4969 8.3193 115.2977 58.5086 63.5739 172.5639 4 T 4.9798 8.1176 115.3665 58.5105 72.0358 167.8275 5 V 4.6828 9.5641 122.5471 60.3460 35.6350 175.3213 6 Q 5.2675 8.6842 119.7821 54.7050 32.6270 174.6166 7 T 4.7116 8.8032 115.0080 60.7829 71.5377 172.6564 8 S 4.9967 8.6145 123.6829 56.8133 64.7682 173.7815 9 I 4.0819 8.4093 126.8248 61.0384 38.0581 175.0126 10 S 5.2486 8.7396 121.5561 56.6734 64.9322 173.0771 11 V 4.7056 8.9321 118.1979 59.6701 36.6386 173.7379 12 E 4.9907 8.8808 122.0583 54.4908 33.0060 173.6723 13 N 5.3918 9.1311 125.3369 51.8384 41.8450 173.3635 14 V 4.6112 8.7815 125.6818 61.2548 34.1642 174.4408 15 L 4.8836 8.8081 128.8763 53.3313 42.7483 177.3026 16 E 4.0544 8.9605 119.0042 58.0663 30.3622 176.8025 17 R 4.4794 7.8113 120.1495 53.7157 31.6745 174.8061 18 A 4.2040 8.4842 128.6445 53.6454 18.8773 177.6328 19 G 3.9458 8.8520 109.6687 45.2779 0.0000 173.3333 20 D 4.4121 8.0417 121.0620 54.6833 41.3449 176.2834 21 S 4.7536 8.5309 120.2075 58.1672 63.5809 173.9615 22 T 3.8426 8.1519 118.6636 64.1834 68.9287 171.8668 23 P 5.0142 0.0000 0.0000 62.2448 32.6637 175.5453 24 F 4.7104 9.1006 120.5048 55.8278 43.6220 173.9050 25 S 5.2476 8.6346 116.2625 56.7969 66.4219 173.1842 26 V 4.6505 8.7953 122.3255 60.9774 35.0157 174.0090 27 A 5.2162 8.5531 128.5718 49.9690 22.2315 174.6532 28 L 4.7792 8.5674 123.1767 53.1947 44.2677 175.0400 29 E 5.1864 9.2871 125.8861 54.6096 33.3192 174.9017 30 S 4.6212 8.9741 118.8036 57.1653 63.1519 175.1729 31 I 3.8423 8.3365 129.2097 64.3091 37.3011 177.3207 32 D 4.3917 8.0780 119.0212 56.9286 40.6989 177.1710 33 A 4.2926 7.9926 119.6113 51.9065 19.8913 176.5303 34 M 3.2921 7.7607 114.7663 56.2699 30.1811 176.8453 35 K 4.7033 7.3454 115.3226 54.7056 36.7774 176.4018 36 T 4.4294 8.4254 118.7022 63.7425 69.0623 174.8236 37 I 4.0872 8.7222 128.5194 63.9259 37.8994 176.0084 38 E 4.8173 7.6978 119.4794 55.2811 32.8755 173.6656 39 E 5.4447 8.9306 123.9264 54.5441 32.6753 175.2670 40 I 4.6900 8.8293 116.2834 59.3527 41.3926 174.1459 41 T 5.0358 8.3899 119.2492 61.8644 71.3473 173.4085 42 I 4.4424 8.8373 126.5312 59.3589 40.1918 174.7664 43 A 4.3622 8.7841 129.5232 51.5593 18.1530 178.1315 44 G 3.9549 8.7781 113.1151 47.8236 0.0000 172.1677 45 S 4.6875 8.5535 119.5249 57.1935 64.2505 174.0719 46 G 4.0001 8.0699 110.9529 46.5194 0.0000 171.5059 47 K 5.1140 8.4160 118.7615 55.2773 34.2213 176.4118 48 A 4.5871 8.7291 122.8986 51.0093 22.9493 175.3985 49 S 5.1766 8.3368 117.0861 56.5159 65.2729 174.3983 50 F 4.2931 8.7254 122.3997 57.0311 39.5577 175.6369 51 S 4.2616 9.1278 117.6303 58.2155 63.2457 173.0515 52 P 4.6089 0.0000 0.0000 63.0360 32.0590 175.6136 53 L 4.2850 8.6586 122.7527 54.1718 43.3850 175.6041 54 T 4.9117 7.8819 119.0450 61.6736 71.0350 173.5468 55 F 4.8814 9.1584 124.9534 55.8721 41.9652 176.0126 56 T 4.7246 8.8180 110.9148 61.5522 69.9969 173.7583 57 T 4.7168 7.5701 115.4695 60.2197 70.6288 173.5655 58 V 3.7426 8.3044 120.3355 60.6297 32.3925 176.3732 59 G 3.8805 6.9313 110.1594 45.0373 0.0000 170.4924 60 Q 5.0308 7.5753 120.4812 54.2968 31.1865 174.4071 61 Y 4.9524 8.9810 123.6367 56.4724 41.7417 174.5266 62 T 5.1115 9.3763 120.5092 62.0684 71.6803 172.9410 63 Y 5.3709 9.3225 122.9791 56.3386 43.0139 174.1229 64 R 5.3441 9.2142 115.9715 54.9358 33.7805 174.1519 65 V 5.2078 9.2872 119.6406 61.5922 35.0130 173.8510 66 Y 5.5647 8.6130 123.9091 56.1149 42.1335 172.9485 67 Q 4.4571 8.3444 120.8104 54.2365 30.3500 175.3829 68 K 4.4833 8.6593 126.0230 55.2742 33.0845 175.2891 69 P 4.3239 0.0000 0.0000 62.9203 31.8269 176.4135 70 S 4.1956 8.5563 116.5190 58.1321 62.9926 173.9260 71 Q 3.9085 8.4934 129.2180 58.9054 29.3068 175.5576 72 N 4.5337 7.7115 118.1443 52.8194 38.6612 175.2555 73 K 4.3240 8.5982 125.3767 58.2215 32.6204 177.9283 74 D 4.5462 8.9661 119.8120 56.2380 41.5097 175.5999 75 Y 5.2128 8.2303 115.5947 56.0752 41.4643 174.9319 76 Q 4.6835 9.1061 123.9594 54.3187 30.6174 175.0120 77 A 4.5321 8.8385 128.4922 51.9181 19.5238 176.2038 78 D 4.5794 9.0623 121.2772 54.5311 41.5985 176.3252 79 T 4.4959 8.6667 115.0655 61.7467 69.4574 174.9570 80 T 3.9481 8.4756 120.1810 64.0376 69.1075 173.5382 81 V 4.7396 8.1705 125.0612 61.2021 34.4937 173.9088 82 F 5.2697 9.4616 126.0501 55.8569 41.7351 174.3014 83 D 5.2233 9.1667 123.7729 53.5851 42.6493 175.6514 84 V 4.7434 9.0542 122.6850 61.2247 34.6992 173.8842 85 L 5.2579 9.2072 128.4487 53.0030 44.4255 175.5452 86 V 4.7642 9.1627 124.0630 61.3967 33.9851 173.4249 87 Y 5.1315 9.2004 130.5665 56.1037 40.6955 174.1866 88 V 4.4216 8.2131 127.7493 61.6402 33.7640 174.4877 89 T 4.3912 7.9090 122.0081 61.7617 70.7925 171.2975 90 Y 5.1211 8.2233 118.2378 56.4703 40.1476 175.8405 91 D 4.8385 8.6545 123.3504 52.1583 41.7565 176.6328 92 E 4.0659 8.7376 115.8238 59.0371 29.6404 177.0178 93 D 4.5936 8.4198 117.5680 53.9617 41.3526 176.9866 94 G 3.8667 8.3925 107.9819 45.4030 0.0000 173.3967 95 T 4.5128 8.1884 110.6001 60.1207 70.7129 174.0177 96 L 4.3902 8.7034 127.3493 55.4920 42.7297 176.2516 97 V 4.6778 8.9679 118.8292 59.4411 36.4224 174.2465 98 A 4.9759 8.5028 123.4363 50.0823 21.4284 175.2590 99 K 4.5260 9.1177 124.8973 54.6703 34.5308 174.9633 100 V 4.9656 8.4485 126.8716 61.2244 33.8617 174.5910 101 I 4.8345 9.0564 128.2595 59.4942 40.8810 174.4790 102 S 5.4571 8.7442 120.4706 56.8613 66.3375 173.0820 103 R 5.0886 8.9921 119.3274 54.4790 35.0303 174.8138 104 R 3.8328 8.6912 120.4892 55.7889 31.3463 176.2533 105 A 4.4068 7.7977 126.2399 53.3093 18.7600 178.0022 106 G 4.0243 8.9539 111.2003 45.3863 0.0000 173.5476 107 D 4.6460 7.8328 121.3358 54.3113 41.8997 176.9567 108 E 4.2828 8.6400 118.2114 57.9754 30.5028 177.6896 109 E 4.2656 7.8664 116.3682 55.4071 30.4941 176.8716 110 K 4.3769 8.3342 120.7395 57.0968 32.8534 176.2169 111 S 4.7729 8.6895 115.1964 56.7437 65.6057 173.9223 112 A 4.1121 8.5803 127.7652 52.0104 19.4272 177.3393 113 I 2.2908 7.8971 121.2665 60.6583 37.9487 175.2454 114 T 4.8037 6.9459 122.9721 61.5865 72.3234 173.5950 115 F 5.1859 9.1646 123.9433 55.8281 42.8028 174.5923 116 K 5.1824 9.3062 121.1756 52.4168 32.2492 173.9359 117 P 4.5368 0.0000 0.0000 62.4847 32.4954 175.5640 118 K 4.8771 8.7333 122.1394 54.5483 35.2120 175.3662 119 R 4.1043 9.7838 126.1951 56.1986 30.0394 176.1123 120 L 4.4622 8.9873 126.0079 55.0696 42.8480 176.9172 121 V 4.3593 7.5033 119.5322 60.6486 34.2548 175.7198 122 K 4.0188 8.4457 125.9477 54.0274 32.0619 175.8145 123 P 4.4118 0.0000 0.0000 62.7076 31.9154 177.1704 124 I 3.8966 8.0806 119.0417 58.9556 36.0078 175.2258 125 P 4.3847 0.0000 0.0000 61.2286 31.7107 174.8454 126 P 4.4384 0.0000 0.0000 61.9930 31.9325 176.4145 127 R 4.1225 8.2074 117.2715 55.5389 30.1026 176.1948 128 Q 3.9421 8.4602 119.7499 55.7224 29.3145 174.7125 129 P 4.3821 0.0000 0.0000 62.9844 32.0091 176.2346 *130 D 4.6668 8.2845 118.9674 52.5110 40.5435 177.0785 131 F 4.2280 8.9564 116.3351 57.9347 39.4335 174.0911 132 P 4.3683 0.0000 0.0000 63.8657 31.5589 177.2894 133 K 4.5843 8.6254 120.9175 54.3321 33.0182 176.0996 134 T 4.7795 7.4046 107.7262 59.5962 71.3948 172.2242 135 P 4.2991 0.0000 0.0000 62.8518 31.8278 176.6917 136 L 4.2780 8.2809 122.5991 53.4893 42.4316 175.1749 137 P 4.3042 0.0000 0.0000 62.5553 31.8384 176.3992 138 L 4.0306 8.3244 123.5252 55.0527 42.7912 176.6644 139 A 4.2303 8.4452 126.2304 52.4824 18.6719 177.3000 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 3 S 8.32 4.50 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.12 4.98 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 5 V 9.56 4.68 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 0.96 0.00 0.00 0.98 0.00 0.00 6 Q 8.68 5.27 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 7 T 8.80 4.71 4.34 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 1.37 0.00 0.00 8 S 8.61 5.00 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.41 4.08 2.04 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 1.13 0.64 1.01 0.00 0.00 10 S 8.74 5.25 0.00 3.84 3.69 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 11 V 8.93 4.71 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 0.79 0.00 0.00 0.96 0.00 0.00 12 E 8.88 4.99 0.00 1.93 1.64 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 2.15 2.33 0.00 13 N 9.13 5.39 0.00 2.87 2.62 0.00 0.00 6.35 8.40 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 14 V 8.78 4.61 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 0.92 0.00 0.00 0.91 0.00 0.00 15 L 8.81 4.88 0.00 1.56 1.64 1.04 0.55 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 16 E 8.96 4.05 0.00 2.10 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 0.00 2.35 2.34 0.00 17 R 7.81 4.48 0.00 1.88 1.88 0.00 3.21 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 18 A 8.48 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.85 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 20 D 8.04 4.41 0.00 2.87 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 21 S 8.53 4.75 0.00 3.99 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 22 T 8.15 3.84 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 0.54 0.00 0.00 23 P 0.00 5.01 0.00 1.77 1.88 0.00 3.36 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 24 F 9.10 4.71 0.00 2.83 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 25 S 8.63 5.25 0.00 3.69 3.67 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 26 V 8.80 4.65 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.78 0.00 0.00 27 A 8.55 5.22 0.74 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 0.00 0.00 28 L 8.57 4.78 0.00 0.27 0.73 0.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.29 5.19 0.00 2.07 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 2.34 2.43 0.00 30 S 8.97 4.62 0.00 3.90 3.74 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 31 I 8.34 3.84 1.81 0.00 0.00 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 1.30 0.93 0.89 0.00 0.00 32 D 8.08 4.39 0.00 2.63 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 33 A 7.99 4.29 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 34 M 7.76 3.29 0.00 2.17 2.12 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 2.54 2.77 0.00 35 K 7.35 4.70 0.00 1.77 1.65 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.67 7.81 36 T 8.43 4.43 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 1.27 0.00 0.00 37 I 8.72 4.09 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.88 0.00 0.00 38 E 7.70 4.82 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 2.42 2.38 0.00 39 E 8.93 5.44 0.00 1.86 1.80 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 2.19 2.28 0.00 40 I 8.83 4.69 1.66 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 0.79 0.99 0.76 0.00 0.00 41 T 8.39 5.04 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 1.15 0.00 0.00 42 I 8.84 4.44 1.89 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 1.08 0.66 0.94 0.00 0.00 43 A 8.78 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.78 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 45 S 8.55 4.69 0.00 3.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.07 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 47 K 8.42 5.11 0.00 1.61 1.70 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.34 7.81 48 A 8.73 4.59 1.04 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 0.00 0.00 49 S 8.34 5.18 0.00 3.70 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 50 F 8.73 4.29 0.00 2.93 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 51 S 9.13 4.26 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.04 2.04 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 53 L 8.66 4.28 0.00 1.46 0.95 0.51 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.88 4.91 4.06 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 1.13 0.00 0.00 55 F 9.16 4.88 0.00 2.84 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 56 T 8.82 4.72 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 1.20 0.00 0.00 57 T 7.57 4.72 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 1.37 0.00 0.00 58 V 8.30 3.74 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 0.24 0.00 0.00 0.93 0.00 0.00 59 G 6.93 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 0.00 0.00 0.00 60 Q 7.58 5.03 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 61 Y 8.98 4.95 0.00 3.11 2.98 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 62 T 9.38 5.11 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 1.21 0.00 0.00 63 Y 9.32 5.37 0.00 2.87 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 64 R 9.21 5.34 0.00 2.21 2.09 0.00 2.79 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 65 V 9.29 5.21 2.34 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 1.47 0.00 0.00 0.96 0.00 0.00 66 Y 8.61 5.56 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.34 4.46 0.00 0.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 68 K 8.66 4.48 0.00 1.66 1.76 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.52 7.81 69 P 0.00 4.32 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 70 S 8.56 4.20 0.00 4.09 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 71 Q 8.49 3.91 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 72 N 7.71 4.53 0.00 2.65 2.62 0.00 0.00 7.20 6.30 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 73 K 8.60 4.32 0.00 1.81 1.87 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 74 D 8.97 4.55 0.00 2.72 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 75 Y 8.23 5.21 0.00 3.02 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 76 Q 9.11 4.68 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 77 A 8.84 4.53 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 78 D 9.06 4.58 0.00 2.88 2.96 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 79 T 8.67 4.50 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 1.27 0.00 0.00 80 T 8.48 3.95 4.47 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 0.67 0.00 0.00 81 V 8.17 4.74 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 1.18 0.00 0.00 1.02 0.00 0.00 82 F 9.46 5.27 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 9.17 5.22 0.00 2.65 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 84 V 9.05 4.74 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 1.13 0.00 0.00 1.06 0.00 0.00 85 L 9.21 5.26 0.00 1.68 1.59 0.98 0.45 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 86 V 9.16 4.76 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 0.73 0.00 0.00 1.07 0.00 0.00 87 Y 9.20 5.13 0.00 2.97 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 88 V 8.21 4.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.47 0.00 0.00 89 T 7.91 4.39 3.33 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 1.06 0.00 0.00 90 Y 8.22 5.12 0.00 3.03 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 91 D 8.65 4.84 0.00 2.92 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 92 E 8.74 4.07 0.00 2.11 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 0.00 2.30 2.35 0.00 93 D 8.42 4.59 0.00 2.80 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 94 G 8.39 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 0.00 0.00 0.00 95 T 8.19 4.51 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 1.24 0.00 0.00 96 L 8.70 4.39 0.00 1.76 1.66 0.55 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 97 V 8.97 4.68 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 0.71 0.00 0.00 0.92 0.00 0.00 98 A 8.50 4.98 1.12 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 0.00 0.00 99 K 9.12 4.53 0.00 1.94 1.76 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.22 7.81 100 V 8.45 4.97 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 0.90 0.00 0.00 0.95 0.00 0.00 101 I 9.06 4.83 1.91 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 0.65 0.94 0.00 0.00 102 S 8.74 5.46 0.00 3.95 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 0.00 103 R 8.99 5.09 0.00 1.78 1.82 0.00 3.15 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 104 R 8.69 3.83 0.00 1.79 1.57 0.00 3.24 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.54 0.00 105 A 7.80 4.41 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 0.00 106 G 8.95 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 0.00 0.00 0.00 0.00 107 D 7.83 4.65 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.28 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.86 0.00 109 E 7.87 4.27 0.00 2.34 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 2.27 1.90 0.00 110 K 8.33 4.38 0.00 2.05 1.89 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.00 7.81 111 S 8.69 4.77 0.00 3.89 3.83 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 0.00 112 A 8.58 4.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.90 2.29 1.67 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 0.85 0.29 0.23 0.00 0.00 114 T 6.95 4.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 115 F 9.16 5.19 0.00 3.02 2.98 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 0.00 116 K 9.31 5.18 0.00 1.59 1.70 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.25 7.81 117 P 0.00 4.54 0.00 1.41 1.53 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.59 0.00 118 K 8.73 4.88 0.00 1.72 1.71 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 R 9.78 4.10 0.00 1.70 1.68 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 120 L 8.99 4.46 0.00 1.56 1.68 0.95 0.86 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 0.00 121 V 7.50 4.36 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 0.76 0.00 0.00 0.89 0.00 0.00 122 K 8.45 4.02 0.00 1.81 1.60 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.05 7.81 123 P 0.00 4.41 0.00 2.03 2.03 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 124 I 8.08 3.90 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 1.41 0.62 0.92 0.00 0.00 125 P 0.00 4.38 0.00 2.03 2.02 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 126 P 0.00 4.44 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 127 R 8.21 4.12 0.00 1.92 1.95 0.00 3.06 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 128 Q 8.46 3.94 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 129 P 0.00 4.38 0.00 2.05 1.97 0.00 3.69 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 2.00 2.07 0.00 *130 D 8.28 4.67 0.00 2.70 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 0.00 131 F 8.96 4.23 0.00 2.94 3.07 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 0.00 132 P 0.00 4.37 0.00 2.08 2.02 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 133 K 8.63 4.58 0.00 1.74 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 0.95 7.81 134 T 7.40 4.78 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 0.00 135 P 0.00 4.30 0.00 2.07 2.05 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 136 L 8.28 4.28 0.00 1.65 1.61 0.95 1.09 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 0.00 137 P 0.00 4.30 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 138 L 8.32 4.03 0.00 1.59 1.57 0.92 1.03 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 0.00 139 A 8.45 4.23 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 * Residues marked with a * may have inaccurate shift predictions.