NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4608 8.1927 115.3052 58.2284 64.6428 175.5498 2 W 3.9959 8.3287 129.3356 58.8494 30.5109 176.3843 3 S 4.3020 8.5695 115.2943 62.1411 62.9894 176.2682 4 E 4.1186 8.1346 121.4421 60.6776 29.4325 181.5057 5 K 4.0440 8.3385 119.1076 59.4169 32.1703 179.2458 6 A 3.7677 8.0666 121.4212 54.9432 18.1549 179.5151 7 F 4.2764 8.3874 119.3728 61.6890 39.6329 177.7258 8 S 3.7242 8.0077 113.4164 60.8673 62.7616 176.2214 9 A 3.8514 8.1924 125.2008 55.0202 18.0976 179.5277 10 S 3.9703 7.8872 111.5504 61.3033 62.4984 176.3014 11 K 3.7284 7.8475 121.2591 59.3839 31.7733 178.7977 12 L 3.7771 7.7409 120.2324 58.2714 41.9291 178.4769 13 D 4.2861 7.8928 118.6117 57.7239 40.7851 178.7716 14 D 4.3188 7.9897 118.7400 57.3881 40.7369 178.8720 15 A 4.0444 8.0239 121.1772 55.2310 18.4101 179.8189 16 I 3.7473 7.7871 118.2197 64.2604 37.0312 178.5125 17 A 4.5645 8.4614 122.8807 54.7765 18.0413 179.5502 18 A 3.9161 8.2554 118.3312 54.9389 18.4530 179.5854 19 K 3.8763 8.2848 117.6504 59.1271 32.5633 178.3435 20 F 4.8376 8.7349 114.7121 56.7153 40.6571 176.1532 21 G 3.8929 8.5211 106.0346 44.8128 0.0000 173.4662 22 S 4.6789 8.0868 113.8820 57.3210 61.6995 174.5606 23 L 4.5134 7.2776 119.8628 52.6972 43.2994 175.7631 24 P 4.4536 0.0000 0.0000 62.9270 32.5877 175.2679 25 I 4.8773 8.1115 122.3400 59.4682 40.7502 174.6230 26 Q 4.7066 8.4514 122.8516 54.2331 32.0685 174.3770 27 E 4.8907 8.6045 119.1957 56.1309 30.8003 176.0781 28 S 4.7427 8.8506 116.9735 57.2756 65.4475 174.1004 29 T 4.2650 8.7771 121.3493 64.4663 69.1590 174.5646 30 A 4.6724 7.8194 124.1262 52.4104 19.3858 177.0574 31 I 4.9068 7.5961 119.8366 61.1905 41.1317 175.3015 32 Q 4.6422 9.2617 126.4052 54.1840 31.0665 174.6307 33 I 4.9168 8.4305 124.6397 59.4702 40.0935 174.9207 34 K 4.7133 9.1361 127.1578 54.6279 34.3421 175.4058 35 A 5.0171 8.4397 124.1716 50.7383 22.1069 173.9906 36 P 4.2013 0.0000 0.0000 63.8092 32.5070 177.4226 37 E 4.3086 9.0203 119.7863 59.2985 30.4685 176.6298 38 I 5.1431 7.6930 111.2592 58.9815 40.6676 173.9438 39 A 4.7748 8.3052 126.1367 51.0978 22.5912 176.6143 40 E 4.0409 8.7831 117.4921 55.9387 30.4900 177.6918 41 N 4.4185 8.4998 118.6130 54.1906 37.1065 175.1884 42 G 3.7435 8.5194 112.6834 45.1255 0.0000 171.4785 43 A 4.6713 7.5498 120.1387 49.1305 23.1355 175.8212 44 F 4.7492 8.5598 117.4791 57.4706 40.0130 175.8162 45 V 4.5041 8.6063 123.9731 60.1808 33.7403 172.9055 46 P 4.7610 0.0000 0.0000 62.8459 32.7323 175.3503 47 V 4.7636 9.0992 123.4046 61.3585 35.1301 174.1366 48 T 5.1533 9.1181 123.6127 61.7385 72.2069 173.0028 49 V 4.9903 8.8369 125.2718 61.1474 34.9604 174.1319 50 A 5.1740 8.9701 127.8205 49.8674 23.2694 174.1644 51 T 5.0334 8.2814 111.9013 60.7533 70.4611 173.1233 52 S 4.7901 8.1706 119.8796 58.1038 63.8977 173.8471 53 I 3.7350 7.4984 122.5258 60.7688 36.6233 174.1971 54 P 4.1073 0.0000 0.0000 65.7558 32.0277 176.9579 55 G 3.8925 7.5872 106.6253 45.2285 0.0000 173.7344 56 A 4.3767 7.6285 122.5435 52.3547 18.8494 178.0237 57 T 4.7679 8.7737 112.6312 61.0116 71.3102 173.6756 58 N 5.5499 8.0665 120.7267 52.2064 43.0547 172.7467 59 I 5.1507 9.4319 126.2866 59.8467 40.5090 174.5553 60 S 5.1918 9.4413 123.4240 56.6495 66.4676 173.2752 61 I 5.0476 8.4499 124.0747 59.5458 40.1100 174.4953 62 F 5.3395 9.8948 126.1968 55.6742 42.3817 174.8713 63 T 4.7409 9.1466 113.4792 59.0963 67.5136 172.5942 64 P 4.1057 0.0000 0.0000 66.4634 32.0121 177.8969 65 A 4.0321 7.9034 118.8246 54.8722 18.5447 177.7539 66 N 4.6303 8.0448 114.7565 53.1870 39.4465 175.8128 *67 F 4.0309 8.6540 119.5151 59.2567 38.0348 176.6580 68 S 4.7355 7.7865 115.6138 55.4006 63.9127 171.5370 69 P 4.5951 0.0000 0.0000 65.8675 32.6381 175.7968 70 M 4.4399 8.1038 121.0179 54.8605 31.7804 176.2281 71 V 4.1295 8.5375 126.9886 63.2037 33.0370 176.0447 72 A 4.4789 7.3611 119.8275 51.2896 22.3979 175.2975 73 S 4.8247 8.5533 114.2919 56.9344 65.7635 172.8982 74 F 4.8588 9.9002 131.0312 56.7072 41.1674 173.5467 75 D 5.2231 8.2136 126.6021 53.1353 42.0125 176.4887 76 V 4.2935 8.3002 121.1653 60.0129 35.1160 174.1863 77 L 4.1003 8.3689 122.3631 53.8497 41.9827 175.4964 78 P 4.4324 0.0000 0.0000 63.3949 32.0426 175.8155 79 R 3.8868 8.3803 114.5647 58.2673 27.3473 176.9109 80 M 4.4701 7.4921 110.2985 54.1718 33.0371 177.1010 81 K 3.8344 8.0510 116.7026 56.7810 29.8383 173.0361 82 P 4.5517 0.0000 0.0000 62.6869 33.3988 176.6949 83 E 4.8614 8.5317 122.8201 54.3110 32.7251 174.7093 84 V 4.2484 8.7534 126.2154 59.8897 34.0684 174.6666 85 S 5.3485 8.4458 120.5042 56.8266 65.9221 173.1125 86 L 4.6035 8.5607 121.5005 54.8668 43.9733 173.7348 87 R 5.2599 8.4692 116.8777 54.6520 31.8202 175.0842 88 M 5.0290 9.0936 121.7463 54.0414 34.4353 175.5665 89 R 5.0779 8.7983 123.1383 56.7270 30.3988 173.1851 90 M 4.7155 8.2992 120.7179 53.3210 35.2669 176.1956 91 A 4.0312 9.0667 129.9111 55.2208 19.0154 177.0057 92 K 4.5905 7.4751 116.6346 54.0497 35.7749 180.0589 93 T 4.2090 8.4415 112.9982 64.4115 68.2607 172.4020 94 E 4.7495 8.7990 123.9787 55.6824 33.6164 173.7791 95 N 5.2321 8.6047 118.0458 52.5382 40.8089 173.9712 96 L 4.6853 9.0590 123.3319 53.3064 43.8821 175.4907 97 V 4.7667 8.8611 124.5187 61.0451 34.1998 174.2311 98 V 4.9723 8.8914 127.9758 61.1505 34.1111 174.1134 99 V 4.9462 9.0089 127.6858 61.1511 34.1768 174.1145 100 V 4.8900 9.2737 128.0770 61.2099 34.3101 173.7234 101 Q 5.1137 8.9667 128.6080 54.4796 31.0798 174.1028 102 A 5.0747 8.5707 127.6724 50.4492 22.6032 175.7047 103 G 3.7424 9.0592 111.1309 47.2059 0.0000 175.6205 104 G 4.2089 8.5510 106.4812 44.1962 0.0000 172.9978 105 K 4.4960 7.9071 117.2249 54.5547 37.0102 175.5649 106 L 4.9461 7.5288 122.2490 53.2516 44.2703 175.1417 107 Y 5.1194 9.0738 120.1738 56.1712 41.8671 174.5184 108 R 5.2744 9.3361 123.1978 54.6936 33.8376 173.8110 109 A 5.2041 9.0210 125.6463 50.4794 23.2566 175.2128 110 V 4.9521 8.2355 117.5190 60.1147 34.9676 174.8063 111 R 4.6499 9.0038 122.6010 54.7182 33.5049 173.5213 112 E 4.7904 8.8241 126.6108 54.7421 31.3478 175.2338 113 V 4.4705 8.6057 127.5838 61.6304 34.4752 175.1597 114 K 4.6322 8.6350 133.4343 54.5039 33.5412 175.0405 115 V 3.9965 8.0506 119.5558 61.0984 32.3553 171.8576 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 S 8.19 4.46 0.00 3.94 4.03 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 2 W 8.33 4.00 0.00 3.58 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 3 S 8.57 4.30 0.00 4.14 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 4 E 8.13 4.12 0.00 2.00 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 2.31 1.97 0.00 5 K 8.34 4.04 0.00 1.67 1.54 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.52 7.81 6 A 8.07 3.77 1.21 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 7 F 8.39 4.28 0.00 3.08 3.22 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 8 S 8.01 3.72 0.00 3.97 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 9 A 8.19 3.85 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 10 S 7.89 3.97 0.00 3.93 4.03 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 11 K 7.85 3.73 0.00 1.65 1.65 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 0.87 7.81 12 L 7.74 3.78 0.00 1.73 1.73 0.63 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.89 4.29 0.00 2.85 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 14 D 7.99 4.32 0.00 2.95 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 15 A 8.02 4.04 1.47 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 0.00 0.00 16 I 7.79 3.75 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.25 0.96 0.00 0.00 17 A 8.46 4.56 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 18 A 8.26 3.92 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 19 K 8.28 3.88 0.00 1.63 1.82 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.66 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.51 0.21 7.81 20 F 8.73 4.84 0.00 3.10 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 21 G 8.52 3.89 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 0.00 0.00 0.00 22 S 8.09 4.68 0.00 3.88 3.85 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 23 L 7.28 4.51 0.00 1.61 1.51 0.92 1.11 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 24 P 0.00 4.45 0.00 1.98 1.91 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 25 I 8.11 4.88 1.76 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 1.40 0.62 0.78 0.00 0.00 26 Q 8.45 4.71 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 1.95 2.30 0.00 27 E 8.60 4.89 0.00 1.88 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 2.28 2.24 0.00 28 S 8.85 4.74 0.00 3.99 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 29 T 8.78 4.26 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 30 A 7.82 4.67 1.20 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 0.00 0.00 31 I 7.60 4.91 1.90 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 1.25 0.72 0.94 0.00 0.00 32 Q 9.26 4.64 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 33 I 8.43 4.92 1.88 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 1.36 0.63 0.92 0.00 0.00 34 K 9.14 4.71 0.00 1.62 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.35 7.81 35 A 8.44 5.02 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 36 P 0.00 4.20 0.00 2.08 2.11 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 37 E 9.02 4.31 0.00 1.66 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 2.31 1.88 0.00 38 I 7.69 5.14 1.88 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 1.28 1.16 0.92 0.00 0.00 39 A 8.31 4.77 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 40 E 8.78 4.04 0.00 2.00 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 0.00 2.23 1.87 0.00 41 N 8.50 4.42 0.00 2.74 2.69 0.00 0.00 6.86 7.51 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 42 G 8.52 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 0.00 0.00 0.00 43 A 7.55 4.67 1.20 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 0.00 0.00 44 F 8.56 4.75 0.00 2.97 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 45 V 8.61 4.50 2.24 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 1.02 0.00 0.00 0.96 0.00 0.00 46 P 0.00 4.76 0.00 2.15 2.17 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 47 V 9.10 4.76 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 1.02 0.00 0.00 0.99 0.00 0.00 48 T 9.12 5.15 4.22 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 1.17 0.00 0.00 49 V 8.84 4.99 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 1.06 0.00 0.00 0.93 0.00 0.00 50 A 8.97 5.17 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 51 T 8.28 5.03 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 1.23 0.00 0.00 52 S 8.17 4.79 0.00 3.85 3.85 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 53 I 7.50 3.74 1.65 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 0.86 0.75 0.23 0.00 0.00 54 P 0.00 4.11 0.00 2.00 2.00 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 55 G 7.59 3.89 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 0.00 0.00 0.00 56 A 7.63 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.77 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 58 N 8.07 5.55 0.00 2.84 2.88 0.00 0.00 6.98 7.92 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 59 I 9.43 5.15 2.09 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 1.35 1.10 0.99 0.00 0.00 60 S 9.44 5.19 0.00 4.16 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 61 I 8.45 5.05 1.78 0.00 0.00 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 1.25 0.69 0.91 0.00 0.00 62 F 9.89 5.34 0.00 2.96 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 63 T 9.15 4.74 4.40 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 1.23 0.00 0.00 64 P 0.00 4.11 0.00 2.01 2.23 0.00 4.16 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 65 A 7.90 4.03 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 66 N 8.04 4.63 0.00 2.75 2.76 0.00 0.00 6.85 6.93 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 *67 F 8.65 4.03 0.00 2.29 2.25 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 68 S 7.79 4.74 0.00 3.78 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 69 P 0.00 4.60 0.00 2.33 2.30 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 70 M 8.10 4.44 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.17 0.00 71 V 8.54 4.13 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 0.69 0.00 0.00 0.93 0.00 0.00 72 A 7.36 4.48 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 73 S 8.55 4.82 0.00 3.70 3.63 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 74 F 9.90 4.86 0.00 3.10 3.08 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 75 D 8.21 5.22 0.00 2.39 2.40 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 76 V 8.30 4.29 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 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 77 L 8.37 4.10 0.00 1.65 1.63 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.43 0.00 2.22 2.18 0.00 3.84 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 2.07 1.99 0.00 79 R 8.38 3.89 0.00 2.23 2.05 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 80 M 7.49 4.47 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 81 K 8.05 3.83 0.00 1.82 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 82 P 0.00 4.55 0.00 2.16 2.44 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 83 E 8.53 4.86 0.00 1.88 1.74 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 2.10 2.20 0.00 84 V 8.75 4.25 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 0.57 0.00 0.00 0.32 0.00 0.00 85 S 8.45 5.35 0.00 3.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.56 4.60 0.00 1.71 1.67 0.92 0.67 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 87 R 8.47 5.26 0.00 1.77 1.85 0.00 2.97 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 88 M 9.09 5.03 0.00 2.11 2.21 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 2.50 2.51 0.00 89 R 8.80 5.08 0.00 1.62 1.76 0.00 3.10 0.00 0.00 3.88 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.00 90 M 8.30 4.72 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.75 0.00 91 A 9.07 4.03 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 92 K 7.48 4.59 0.00 1.51 1.55 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.00 7.81 93 T 8.44 4.21 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 1.22 0.00 0.00 94 E 8.80 4.75 0.00 2.07 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 2.18 2.27 0.00 95 N 8.60 5.23 0.00 2.66 2.77 0.00 0.00 6.75 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 96 L 9.06 4.69 0.00 1.66 1.62 0.94 0.74 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 97 V 8.86 4.77 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 0.99 0.00 0.00 0.95 0.00 0.00 98 V 8.89 4.97 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 1.02 0.00 0.00 0.99 0.00 0.00 99 V 9.01 4.95 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 0.60 0.00 0.00 0.94 0.00 0.00 100 V 9.27 4.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 101 Q 8.97 5.11 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 102 A 8.57 5.07 1.21 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 0.00 103 G 9.06 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 0.00 0.00 0.00 104 G 8.55 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 0.00 105 K 7.91 4.50 0.00 1.91 1.25 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.41 7.81 106 L 7.53 4.95 0.00 1.54 1.20 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.07 5.12 0.00 2.86 2.81 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 0.00 108 R 9.34 5.27 0.00 1.76 1.79 0.00 3.00 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 109 A 9.02 5.20 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 0.00 110 V 8.24 4.95 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 0.75 0.00 0.00 0.97 0.00 0.00 111 R 9.00 4.65 0.00 1.86 1.76 0.00 3.25 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 112 E 8.82 4.79 0.00 2.13 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 0.00 2.27 2.15 0.00 113 V 8.61 4.47 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 0.94 0.00 0.00 0.94 0.00 0.00 114 K 8.64 4.63 0.00 1.53 1.66 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.10 7.81 115 V 8.05 4.00 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.