NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3555 8.3293 118.8229 55.7698 30.1272 177.4944 5 K 4.0053 8.6211 114.9710 56.2124 31.4298 176.7153 *7 Q 4.2675 8.2561 118.8288 56.4440 31.6824 176.8764 8 E 4.0140 7.7296 119.4142 55.0263 30.0799 174.6873 9 P 4.1690 0.0000 0.0000 62.8646 31.9116 175.3394 10 L 4.3283 8.2488 123.5615 53.1078 43.1691 175.7499 11 V 3.8538 7.7614 125.5442 60.5257 33.5031 174.6847 12 Y 4.2942 8.1773 125.1270 58.6270 38.2666 176.6690 13 R 4.2713 9.4357 122.6850 57.7738 31.1921 177.2556 14 R 4.6799 8.6530 117.5242 55.2540 34.5237 174.1373 15 I 4.8293 9.0246 126.1147 59.4654 39.8110 174.5679 16 L 4.8873 8.9697 129.5983 53.2841 44.2158 174.5493 17 L 4.9480 8.8231 130.0144 54.0668 43.6971 175.0057 18 T 5.0833 8.6648 123.7415 62.1626 69.9826 174.5422 19 V 4.6666 8.9136 119.2173 59.8001 35.8267 174.9009 20 D 5.1329 8.2878 122.0555 51.5896 41.7435 175.4232 21 E 4.0663 8.5070 115.2569 57.8852 30.1902 175.9349 22 D 4.4420 8.1530 120.3212 53.3987 41.9649 175.0757 23 D 4.7161 8.5314 126.2199 52.7530 41.2731 174.8900 24 N 5.1403 8.8564 124.4818 50.3692 42.0289 175.0157 25 T 3.8920 8.3937 115.9512 67.1111 67.9548 176.9569 26 S 4.1787 8.0939 116.6839 61.5330 62.9238 176.7421 27 S 4.2467 8.7792 117.4494 61.2392 62.7178 176.1709 28 E 4.0690 8.4146 122.9329 59.3321 29.4279 179.1020 29 R 3.9856 8.2926 117.9087 59.0314 29.9963 178.8984 30 A 4.0652 8.4430 121.0400 55.1582 18.3419 179.4216 31 F 3.9701 8.4430 119.1417 61.5932 39.4488 177.5607 32 R 3.7971 8.4256 117.8661 59.2276 29.7555 178.5034 33 Y 4.0808 8.5063 119.5452 60.6508 38.8651 177.8274 34 A 3.6781 8.0954 122.1288 55.3288 18.4150 179.7291 35 T 3.7090 7.7764 108.4799 64.7554 68.8595 177.2805 36 T 3.7632 7.8597 118.9095 66.2083 68.4872 176.1853 37 L 3.9571 7.6977 122.1333 58.3219 42.1393 178.9590 38 A 4.0339 7.9750 120.5638 55.2724 18.3407 179.1694 39 H 4.0290 8.5508 117.0865 59.6952 29.8341 177.4019 40 D 4.2659 8.3935 119.5451 56.7760 40.6690 176.8566 41 Y 4.4318 7.8850 113.7629 56.8516 39.2864 174.6811 42 D 4.4236 7.6419 117.4359 55.4950 39.5932 172.6690 43 V 4.6861 7.7686 111.8099 58.7657 36.1038 175.8376 44 P 4.8040 0.0000 0.0000 62.6329 32.9882 175.0204 45 L 5.2509 9.1886 124.0976 53.3271 45.4096 175.3603 46 G 3.8368 9.0701 112.9904 44.1307 0.0000 171.9855 47 I 4.9581 8.5577 123.7999 59.5091 40.0952 174.0528 48 C 5.7904 9.0888 128.0761 57.0985 34.4469 172.4354 49 S 5.1212 8.4750 117.6195 56.9532 66.5677 172.2979 50 V 4.8933 8.2262 121.6272 61.0008 33.5295 174.9474 51 L 4.4718 9.0092 128.6016 54.1131 43.2213 176.0020 52 E 4.2760 8.5784 123.1200 55.9894 30.3175 176.1310 53 S 4.8123 8.3703 120.1345 56.1734 65.5317 173.7474 54 E 4.0966 8.4835 120.7019 56.4356 30.0007 175.9838 55 D 4.9256 8.3841 121.1211 52.1054 42.8380 177.1888 56 I 3.7929 8.4827 120.4544 63.5718 37.6596 176.4562 57 N 4.5453 8.5576 116.9824 53.7089 38.7235 174.8710 58 I 4.3289 7.7850 119.8921 59.3809 37.9268 174.7923 59 F 4.6669 8.5294 127.6587 56.3358 41.1521 173.4972 60 D 4.4368 7.6233 126.1161 52.4898 41.6629 175.3004 61 S 4.1009 8.3910 113.1648 60.1671 63.7964 175.4487 62 L 4.2661 7.9791 121.9162 57.1965 42.3364 177.9232 63 T 3.8537 8.3555 116.1537 66.5018 68.3698 174.4610 64 P 4.2145 0.0000 0.0000 65.6935 31.2462 178.8892 65 S 4.0632 7.9080 113.4238 61.2663 62.8391 176.1984 66 K 3.8415 8.0239 122.3064 59.8465 31.8879 178.8921 67 I 3.7531 8.0525 120.1562 64.4594 37.0562 178.5041 68 Q 3.9775 8.3765 118.9432 58.8978 28.4561 178.7496 69 A 4.0325 8.3807 122.2379 54.8471 18.3154 179.6385 70 K 3.9401 8.1322 118.3475 59.6383 32.1873 179.3352 71 R 3.9133 8.1962 118.5081 59.1607 29.9318 178.9577 72 K 4.0914 8.1528 119.4360 59.6144 32.1771 178.2325 73 H 4.1730 8.4377 118.6836 59.3938 29.7252 177.4307 74 V 3.5636 8.0448 120.1035 66.0036 31.3061 177.6492 75 E 3.9736 8.4808 118.6247 59.6525 29.2484 179.1367 76 D 4.3304 8.4613 119.1133 57.3619 40.8055 179.1023 77 V 3.4169 7.8969 118.6875 65.8771 31.5169 178.2475 78 V 3.7494 8.1486 118.0247 66.0524 31.3981 177.7687 79 A 4.0141 8.2449 120.6907 55.1832 18.0977 179.2797 80 E 3.8215 8.3874 117.9198 59.5569 29.6483 178.5424 81 Y 3.9279 8.0694 117.0812 61.0345 37.9084 178.8934 82 V 3.7117 8.1501 119.1247 66.2551 31.6377 178.1139 83 Q 4.3395 8.2070 119.1127 58.4780 28.5404 178.8212 84 L 4.0613 8.3782 120.1161 57.7548 41.6387 179.4435 85 A 4.1875 8.6826 120.9911 55.1758 17.8003 179.5445 86 E 3.9716 8.4870 117.1927 59.7809 29.3416 179.6115 87 Q 4.0969 8.1571 117.0567 58.8733 28.8463 178.5047 88 R 4.1161 7.9095 118.4339 57.6126 30.1250 177.1922 89 G 3.9878 7.8151 106.3876 45.3696 0.0000 173.4882 90 V 3.7384 7.5330 120.0168 62.6202 31.6909 176.0741 91 N 4.4712 8.8549 125.3280 55.5636 38.8997 174.8623 92 Q 4.6773 7.9875 116.6368 54.0001 32.1373 174.9087 93 V 5.1853 8.3779 123.2750 59.9877 34.5715 174.4685 94 E 4.9379 9.0761 121.0531 54.0021 33.3010 172.7175 95 P 4.8549 0.0000 0.0000 62.7028 32.9459 176.2064 96 L 4.7958 8.8272 121.2370 52.9659 42.5506 173.5942 97 V 4.5844 7.8764 119.5391 61.8085 33.0758 174.1086 98 Y 4.9131 8.9606 125.2967 56.1230 42.0064 174.0529 99 E 5.1979 9.0459 116.5904 54.4229 32.6495 175.1277 100 G 4.3452 8.0061 113.8384 45.2249 0.0000 173.0644 101 G 3.7139 8.0287 108.6688 46.7500 0.0000 172.6807 102 D 4.6741 7.6303 119.2112 51.8869 41.8081 175.9056 103 V 3.3679 8.6847 126.8071 65.5079 31.5616 177.0293 104 D 4.2923 8.0593 118.2072 57.6245 40.6602 178.3236 105 D 4.2458 8.2436 118.2498 57.1844 41.1535 178.3746 106 V 3.5106 7.9143 118.9441 65.9911 31.4490 178.1611 107 I 3.4995 7.7870 119.6409 64.4080 36.7452 178.5407 108 L 3.9496 7.9648 118.7478 57.0481 41.5409 178.4445 109 E 4.4895 8.4052 116.6265 56.4356 30.9567 176.6316 110 Q 4.4575 7.5421 115.1434 57.2819 30.8407 177.7854 111 V 3.0666 7.3827 118.7243 65.8721 31.5195 178.0639 112 I 3.7174 7.7628 119.5653 64.1605 36.8245 176.8432 113 P 4.2422 0.0000 0.0000 65.1555 31.1429 178.3656 114 E 4.2002 7.8352 116.5119 59.3055 29.8010 178.4161 115 F 4.3687 8.5490 118.9592 58.0977 40.5606 175.1365 116 K 3.8391 8.2778 117.2425 56.7337 29.5841 173.3593 117 P 4.5825 0.0000 0.0000 62.8911 32.6811 176.1488 118 D 4.9326 8.7954 117.7301 53.2914 41.1391 175.4088 119 L 4.6737 7.5898 121.6971 53.3430 45.7591 174.0555 120 L 5.0592 8.7378 128.3094 53.3438 44.3510 174.8876 121 V 4.8773 8.9234 126.3095 61.4861 34.2276 174.1120 122 T 4.8701 8.7252 120.9201 60.3799 71.3811 173.1503 123 G 4.0979 8.7603 113.7846 46.0961 0.0000 174.5407 124 A 4.1846 8.8828 125.2837 54.4344 18.5170 178.4906 125 D 4.6644 7.8638 113.2853 54.4975 41.7553 176.8627 126 T 4.0566 7.5920 118.7133 63.5572 68.8330 173.1822 127 E 4.9097 8.5205 123.0686 55.2307 32.6402 175.3082 128 F 4.7161 8.3280 118.8991 54.6354 39.6000 173.8824 129 P 4.2949 0.0000 0.0000 65.0952 31.4960 177.6463 130 H 4.4157 8.2339 112.2713 57.2157 28.8997 175.5568 131 S 4.9612 7.6521 114.6100 56.5988 63.1381 173.7108 132 K 3.9863 8.7037 123.6958 59.0977 31.8437 177.3801 133 I 4.3707 7.5520 117.2878 59.2716 38.9741 175.2971 134 A 4.3032 8.2882 127.9299 51.9650 19.7322 176.1097 135 G 3.7759 8.7210 105.2106 43.9003 0.0000 173.5083 136 A 4.1920 8.2544 121.6271 52.5109 18.7448 178.4160 137 I 4.0700 8.7013 123.2105 63.3405 37.9735 178.3665 138 G 3.7201 8.1137 106.5821 47.6555 0.0000 173.7908 139 P 4.2717 0.0000 0.0000 64.7739 31.3329 179.0143 140 R 3.9310 7.9552 116.6692 59.3680 30.0081 178.9020 141 L 4.0087 8.1665 118.5369 57.6739 41.3343 179.4045 142 A 3.9686 8.0541 120.3979 55.0255 18.3128 179.3826 143 R 3.9970 7.6773 116.1663 59.0208 30.3428 178.0335 144 K 4.3065 7.8755 115.8346 56.3620 33.2043 177.1261 145 A 4.2180 7.5534 122.0440 51.3926 18.8279 175.4172 146 P 4.6036 0.0000 0.0000 62.8611 31.8435 175.0443 147 I 4.7307 7.1253 111.5562 58.7847 41.1232 175.0862 148 S 4.3716 8.2065 117.7245 58.7835 63.7975 174.0712 149 V 4.7491 8.1877 122.3687 61.1421 34.5344 174.0279 150 I 4.3982 8.7794 128.2835 59.1757 40.4105 174.0395 151 V 4.6116 8.3935 129.5447 61.5074 32.5983 174.7262 152 V 4.2286 8.7230 129.2844 61.4632 33.3292 176.2529 153 R 4.5030 8.3037 124.7041 55.4129 30.6708 175.3391 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 4 Q 8.33 4.36 0.00 2.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.72 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 5 K 8.62 4.01 0.00 2.02 2.06 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 *7 Q 8.26 4.27 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 8 E 7.73 4.01 0.00 1.92 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 0.00 2.28 2.28 0.00 9 P 0.00 4.17 0.00 2.03 1.96 0.00 3.65 0.00 0.00 3.67 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 10 L 8.25 4.33 0.00 1.41 1.34 0.72 -0.08 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 11 V 7.76 3.85 1.84 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 0.13 0.00 0.00 0.58 0.00 0.00 12 Y 8.18 4.29 0.00 3.01 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 13 R 9.44 4.27 0.00 1.75 1.96 0.00 3.51 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 14 R 8.65 4.68 0.00 1.62 1.52 0.00 2.92 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 15 I 9.02 4.83 1.89 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 1.29 0.91 0.85 0.00 0.00 16 L 8.97 4.89 0.00 1.85 1.55 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.82 4.95 0.00 1.70 1.55 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.66 5.08 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 1.35 0.00 0.00 19 V 8.91 4.67 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 0.27 0.00 0.00 1.08 0.00 0.00 20 D 8.29 5.13 0.00 2.40 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 0.00 0.00 0.00 21 E 8.51 4.07 0.00 1.72 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 0.00 2.20 2.15 0.00 22 D 8.15 4.44 0.00 2.60 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 23 D 8.53 4.72 0.00 2.58 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 24 N 8.86 5.14 0.00 2.96 2.87 0.00 0.00 6.71 8.08 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 25 T 8.39 3.89 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 26 S 8.09 4.18 0.00 4.02 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 27 S 8.78 4.25 0.00 4.13 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 0.00 28 E 8.41 4.07 0.00 2.14 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 0.00 2.42 2.44 0.00 29 R 8.29 3.99 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 30 A 8.44 4.07 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 31 F 8.44 3.97 0.00 3.10 3.35 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 0.00 0.00 0.00 0.00 32 R 8.43 3.80 0.00 2.10 2.01 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 33 Y 8.51 4.08 0.00 3.06 3.01 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 34 A 8.10 3.68 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 35 T 7.78 3.71 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 0.47 0.00 0.00 36 T 7.86 3.76 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 1.23 0.00 0.00 37 L 7.70 3.96 0.00 1.24 1.58 0.87 1.16 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 38 A 7.97 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.55 4.03 0.00 3.18 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.39 4.27 0.00 2.45 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 0.00 0.00 0.00 0.00 41 Y 7.88 4.43 0.00 3.10 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 42 D 7.64 4.42 0.00 2.80 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 43 V 7.77 4.69 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 0.91 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.80 0.00 2.16 2.06 0.00 3.79 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 2.10 0.00 45 L 9.19 5.25 0.00 1.72 1.60 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 G 9.07 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 47 I 8.56 4.96 1.89 0.00 0.00 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 1.09 0.80 0.86 0.00 0.00 48 C 9.09 5.79 0.00 2.85 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 49 S 8.47 5.12 0.00 4.04 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 50 V 8.23 4.89 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 0.81 0.00 0.00 0.72 0.00 0.00 51 L 9.01 4.47 0.00 1.60 1.56 0.93 0.72 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 52 E 8.58 4.28 0.00 1.56 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 2.25 2.25 0.00 53 S 8.37 4.81 0.00 4.00 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 54 E 8.48 4.10 0.00 2.00 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 2.30 0.00 55 D 8.38 4.93 0.00 2.66 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 56 I 8.48 3.79 1.89 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 1.43 0.73 0.94 0.00 0.00 57 N 8.56 4.55 0.00 2.84 2.92 0.00 0.00 6.80 7.31 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 58 I 7.78 4.33 1.90 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 1.35 0.89 0.93 0.00 0.00 59 F 8.53 4.67 0.00 2.92 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 D 7.62 4.44 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.10 0.00 3.93 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 62 L 7.98 4.27 0.00 1.69 1.75 0.90 0.83 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 63 T 8.36 3.85 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 1.19 0.00 0.00 64 P 0.00 4.21 0.00 2.08 2.16 0.00 3.40 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 65 S 7.91 4.06 0.00 3.96 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 66 K 8.02 3.84 0.00 1.82 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 67 I 8.05 3.75 1.86 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 1.52 0.51 0.90 0.00 0.00 68 Q 8.38 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 A 8.38 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.94 0.00 1.92 1.98 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.55 7.81 71 R 8.20 3.91 0.00 2.05 1.97 0.00 3.37 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 72 K 8.15 4.09 0.00 1.88 1.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 H 8.44 4.17 0.00 3.33 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.04 3.56 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 1.14 0.00 0.00 1.01 0.00 0.00 75 E 8.48 3.97 0.00 2.20 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 2.34 2.50 0.00 76 D 8.46 4.33 0.00 2.90 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 77 V 7.90 3.42 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 1.09 0.00 0.00 0.84 0.00 0.00 78 V 8.15 3.75 2.14 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 1.06 0.00 0.00 1.07 0.00 0.00 79 A 8.24 4.01 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 80 E 8.39 3.82 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 2.06 2.23 0.00 81 Y 8.07 3.93 0.00 3.18 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 82 V 8.15 3.71 2.28 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 1.09 0.00 0.00 1.02 0.00 0.00 83 Q 8.21 4.34 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 84 L 8.38 4.06 0.00 1.88 1.90 0.60 1.04 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 85 A 8.68 4.19 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 0.00 0.00 86 E 8.49 3.97 0.00 2.25 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 2.37 2.56 0.00 87 Q 8.16 4.10 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 88 R 7.91 4.12 0.00 1.95 2.20 0.00 3.21 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 89 G 7.82 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 0.00 0.00 0.00 90 V 7.53 3.74 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 0.81 0.00 0.00 0.96 0.00 0.00 91 N 8.85 4.47 0.00 2.77 2.88 0.00 0.00 6.92 7.69 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 92 Q 7.99 4.68 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 93 V 8.38 5.19 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 0.80 0.00 0.00 0.99 0.00 0.00 94 E 9.08 4.94 0.00 2.06 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 2.23 2.23 0.00 95 P 0.00 4.85 0.00 2.11 2.11 0.00 3.73 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 1.98 2.01 0.00 96 L 8.83 4.80 0.00 1.56 1.82 0.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.88 4.58 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 0.81 0.00 0.00 0.96 0.00 0.00 98 Y 8.96 4.91 0.00 2.82 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 99 E 9.05 5.20 0.00 2.01 1.87 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 2.18 2.33 0.00 100 G 8.01 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.03 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 0.00 102 D 7.63 4.67 0.00 2.66 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 0.00 103 V 8.68 3.37 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 0.26 0.00 0.00 0.51 0.00 0.00 104 D 8.06 4.29 0.00 2.93 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 0.00 105 D 8.24 4.25 0.00 2.93 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 0.00 106 V 7.91 3.51 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 0.89 0.00 0.00 1.02 0.00 0.00 107 I 7.79 3.50 1.77 0.00 0.00 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 1.36 0.37 0.83 0.00 0.00 108 L 7.96 3.95 0.00 1.61 1.70 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.41 4.49 0.00 1.88 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 2.29 2.81 0.00 110 Q 7.54 4.46 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 111 V 7.38 3.07 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 0.93 0.00 0.00 0.05 0.00 0.00 112 I 7.76 3.72 1.91 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 1.53 0.62 0.91 0.00 0.00 113 P 0.00 4.24 0.00 2.02 2.12 0.00 3.67 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 2.14 2.16 0.00 114 E 7.84 4.20 0.00 2.22 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 0.00 2.42 2.42 0.00 115 F 8.55 4.37 0.00 3.01 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 0.00 116 K 8.28 3.84 0.00 1.74 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 117 P 0.00 4.58 0.00 2.41 2.42 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 118 D 8.80 4.93 0.00 2.96 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 0.00 119 L 7.59 4.67 0.00 0.51 1.15 0.47 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.74 5.06 0.00 1.72 1.45 0.90 0.63 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 0.00 121 V 8.92 4.88 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 1.11 0.00 0.00 0.96 0.00 0.00 122 T 8.73 4.87 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 1.23 0.00 0.00 123 G 8.76 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 0.00 124 A 8.88 4.18 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 0.00 125 D 7.86 4.66 0.00 2.66 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 0.00 126 T 7.59 4.06 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 1.13 0.00 0.00 127 E 8.52 4.91 0.00 2.09 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 2.23 2.16 0.00 128 F 8.33 4.72 0.00 2.99 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 0.00 129 P 0.00 4.29 0.00 2.07 2.14 0.00 3.70 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 2.03 2.07 0.00 130 H 8.23 4.42 0.00 3.30 3.48 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.65 4.96 0.00 3.78 3.82 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 0.00 132 K 8.70 3.99 0.00 1.77 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.62 1.44 7.81 133 I 7.55 4.37 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 1.35 0.57 0.92 0.00 0.00 134 A 8.29 4.30 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 0.00 135 G 8.72 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 0.00 136 A 8.25 4.19 1.30 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 0.00 0.00 0.00 137 I 8.70 4.07 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 1.11 0.00 0.00 138 G 8.11 3.72 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 0.00 0.00 0.00 139 P 0.00 4.27 0.00 2.17 2.11 0.00 3.80 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 2.11 2.17 0.00 140 R 7.96 3.93 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 141 L 8.17 4.01 0.00 1.83 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.05 3.97 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 0.00 143 R 7.68 4.00 0.00 1.86 2.12 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.88 4.31 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.55 7.81 145 A 7.55 4.22 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 0.00 146 P 0.00 4.60 0.00 2.19 2.16 0.00 3.70 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 1.95 1.94 0.00 147 I 7.13 4.73 2.05 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 1.34 0.72 0.97 0.00 0.00 148 S 8.21 4.37 0.00 3.87 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 0.00 149 V 8.19 4.75 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 0.79 0.00 0.00 1.02 0.00 0.00 150 I 8.78 4.40 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.22 0.96 0.00 0.00 151 V 8.39 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 0.81 0.00 0.00 0.91 0.00 0.00 152 V 8.72 4.23 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 1.00 0.00 0.00 0.93 0.00 0.00 153 R 8.30 4.50 0.00 1.77 1.75 0.00 3.33 0.00 0.00 3.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.