NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3984 8.0433 122.6803 54.8269 43.2205 175.0247 4 I 4.5725 8.4097 125.4405 58.1520 38.6327 169.8170 5 V 4.3913 9.9346 128.5653 61.1024 34.8359 173.4671 6 N 5.1174 8.9727 125.5395 51.8211 40.5502 174.1394 7 V 4.5943 8.8319 125.7591 61.6278 33.2565 174.6796 8 I 4.7924 9.0573 130.5485 59.7989 39.6718 174.4652 9 N 5.3729 9.1036 125.8052 51.7946 40.5560 176.1152 10 G 4.3994 9.4800 114.4491 43.1859 0.0000 171.3631 11 P 4.8353 0.0000 0.0000 63.7722 31.6814 177.2765 12 N 4.4785 9.0698 115.0757 54.0258 36.7935 175.9465 13 L 4.3032 7.6070 117.9667 56.2440 42.0501 178.5502 14 G 3.7617 8.0380 106.1015 46.8295 0.0000 174.1818 15 R 4.4633 7.4472 117.5833 55.5619 30.8707 176.6212 16 L 4.0501 7.2886 118.3487 56.1315 42.9436 177.5422 17 G 3.9025 9.0659 113.5851 45.8028 0.0000 174.3044 18 R 4.2807 8.4247 116.5094 55.4580 31.4313 178.4648 *25 G 3.9035 8.1773 105.7304 45.4946 0.0000 173.6412 26 G 3.9445 8.7743 108.5379 46.2297 0.0000 173.9353 27 T 4.1531 7.8491 117.1322 63.2115 68.8433 175.1340 28 T 4.7338 8.4691 119.0597 60.8022 71.0462 175.1340 29 H 4.0643 8.6235 120.1708 59.3790 29.8808 176.7883 30 D 4.3468 8.0941 120.2751 57.5814 40.6930 178.5704 31 E 3.9915 7.9047 118.4769 59.1303 29.3556 179.1774 32 L 3.8462 7.8100 120.6546 57.8971 42.1296 179.1233 33 V 3.3962 7.9533 118.3907 65.9137 31.3904 177.8585 34 A 3.9651 7.9599 120.4354 55.2047 18.3329 179.6626 35 L 3.9617 7.9871 117.5602 57.8062 41.5953 179.9007 36 I 3.7209 7.8779 119.8893 64.4520 36.9854 178.3173 37 E 3.9226 8.0289 119.3894 59.3185 28.9351 179.4795 38 R 3.8678 7.8164 118.4906 59.3791 30.3251 178.2607 39 E 4.0024 8.1442 118.6277 59.1995 29.6804 178.6401 40 A 4.1117 8.3422 120.6977 54.7485 18.4102 179.5139 41 A 3.9665 7.7951 119.8371 55.4398 18.2558 179.7189 42 E 4.0063 7.7612 114.5400 58.6612 29.5792 178.4971 43 L 4.5198 7.2848 115.6315 53.4113 42.6910 176.1102 44 G 3.8036 7.8903 106.2435 46.8675 0.0000 173.5489 45 L 4.8878 8.2636 117.3840 52.3439 45.9893 176.7927 46 K 4.4445 9.1566 123.3487 55.1764 33.8483 174.9433 47 A 5.0285 8.5917 129.0868 50.2101 21.2313 175.4365 48 V 4.0531 8.6852 123.9345 61.4786 33.3260 174.7448 49 V 4.7290 8.2277 128.6055 61.2646 33.0072 174.8528 50 R 4.5723 8.6844 126.4776 54.3078 34.2704 174.2868 51 Q 5.1524 8.5296 121.7561 54.7456 32.1654 174.0279 52 S 4.8076 8.8907 119.2448 57.2798 65.8030 173.6731 53 D 4.5576 8.9412 124.5162 55.3443 41.5354 175.9043 54 S 4.7065 7.8583 115.4728 57.1155 63.8706 174.1487 55 E 3.8848 8.6923 129.2954 59.2621 29.5632 178.6174 56 A 3.8999 7.8321 120.4242 55.1888 18.4988 179.2473 57 Q 3.4245 7.6422 117.9732 59.0130 29.1285 178.4221 58 L 4.0544 7.4783 119.7419 57.6119 41.5426 179.4558 59 L 3.8756 7.9726 119.0858 57.7339 41.5598 178.9390 60 D 4.3681 8.0233 117.9580 57.3325 41.0929 178.4830 61 W 4.5193 7.9647 119.3430 59.8212 28.9600 178.7018 62 I 3.8257 7.8803 119.6685 64.5587 36.5289 178.1256 63 H 4.2677 8.3862 117.3580 58.9939 28.6473 177.8765 64 Q 4.0288 8.2620 119.5808 59.0313 28.5940 178.7398 65 A 4.0553 8.3443 121.6111 55.0325 18.2408 179.5935 66 A 3.9879 8.3210 119.5673 55.4655 18.2481 179.6608 67 D 4.3206 8.0673 116.2855 56.8313 40.9994 177.8839 68 A 4.3362 7.8476 117.9004 50.8841 19.6168 176.5077 69 A 3.7142 7.4346 119.2962 53.0696 16.7907 177.0063 70 E 4.7899 8.0691 119.1475 54.9658 31.4982 175.6625 71 P 4.6135 0.0000 0.0000 63.1472 32.9908 175.0357 72 V 4.8412 8.5696 121.6139 61.2973 34.6155 174.0804 73 I 4.8699 9.1415 129.3316 59.7988 38.9804 174.3303 74 L 5.1323 9.2118 130.2405 53.2201 44.8688 174.5761 75 N 5.2494 9.3166 125.3830 51.0044 39.7059 174.6815 76 A 3.8794 8.6682 129.7173 52.6046 20.1474 178.4422 77 G 4.0864 7.8887 105.0182 47.0488 0.0000 178.3101 78 G 3.7275 8.7569 112.1504 47.0388 0.0000 174.3803 79 L 4.5262 7.8366 121.5207 56.4825 41.6682 178.8854 80 T 3.8874 7.5240 116.4996 66.7153 68.2608 175.1696 81 H 4.9118 7.6798 114.0289 56.1710 29.9699 175.8067 82 T 4.4976 7.8748 108.8554 61.9325 70.8892 173.5225 83 S 4.5924 8.1907 117.8561 56.6790 62.7085 174.6070 84 V 3.3969 7.9942 128.0453 65.4123 31.4364 177.5374 85 A 3.9222 7.8103 120.3155 55.1231 18.3933 179.2146 86 L 3.9088 7.9974 118.7941 58.0400 42.2422 179.1237 87 R 3.9075 7.5988 117.3578 59.6231 29.8474 178.2715 88 D 4.3649 8.0808 117.2285 57.2235 41.2080 178.3334 89 A 4.1699 7.9237 120.9799 55.5165 18.3705 179.5760 90 C 4.2042 8.0905 114.2691 62.4984 27.9080 176.0338 91 A 4.1326 7.6529 121.3295 54.6583 17.9711 179.0619 92 E 4.1157 7.9486 116.1449 57.8083 29.8264 177.6889 93 L 4.1322 7.2566 119.5980 54.9440 42.1247 176.9885 94 S 4.4625 8.6354 117.1619 59.5864 64.3661 174.6372 95 A 4.3730 7.7064 121.1094 50.5393 19.3144 175.7850 96 P 4.4243 0.0000 0.0000 63.0058 33.1983 175.0995 97 L 5.1776 8.5010 124.3438 53.4055 45.1828 174.9468 98 I 4.8268 8.8925 127.5619 59.5002 39.7901 174.1829 99 E 4.8003 8.9151 128.8905 55.1803 30.9533 174.9619 100 V 4.7772 8.7212 126.5628 61.3227 35.0049 173.7225 101 H 4.9484 8.8528 124.0313 54.1550 31.8022 174.5987 102 I 3.9632 8.6493 124.3096 64.2690 37.9712 176.8414 103 S 4.6010 7.8943 114.3053 56.7725 64.7638 173.4001 104 N 4.5421 8.3446 119.5403 52.7943 37.7928 175.9598 105 V 3.6083 8.1451 120.1699 64.1525 31.8050 177.3219 106 H 4.3760 7.9785 114.9312 56.5701 28.8467 175.5612 107 A 4.6950 7.7114 121.2838 51.6828 19.8293 177.3595 108 R 4.6358 7.2179 116.8987 56.3038 31.5764 175.7952 109 E 3.9691 8.2326 123.1069 57.0592 30.3195 177.6671 110 E 3.9133 8.6089 121.3403 59.4733 29.6815 179.3821 111 F 4.4180 7.6284 111.8241 58.8435 38.1503 176.0179 112 R 3.7090 6.9168 118.7656 57.0067 30.0670 177.0908 113 R 4.1182 7.6281 116.3393 56.3737 30.5518 175.5270 114 H 4.8657 7.8928 117.9681 54.0608 31.8647 173.1201 115 S 4.6815 7.9119 119.6514 56.5896 64.8491 173.5296 116 Y 4.2468 8.4837 125.5723 60.4252 38.3594 177.0965 117 L 4.3064 7.9344 119.6245 57.1604 42.6877 179.0899 118 S 4.3086 8.0914 114.6062 61.2261 62.9276 175.0313 119 P 4.2783 0.0000 0.0000 65.1041 31.1295 177.2106 120 I 4.0677 7.3024 107.6319 60.9186 38.1069 175.6423 121 A 4.4803 7.3580 124.3456 51.7604 19.7831 177.3995 122 T 4.2422 8.2230 109.8157 63.8545 69.8637 175.5030 123 G 4.1618 7.7227 106.9869 44.1780 0.0000 171.6829 124 V 4.8779 8.1375 119.8309 60.9771 34.5475 174.4178 125 I 4.5001 8.8323 129.0769 59.4895 39.6260 174.8446 126 V 4.5370 8.0765 126.1553 61.9896 34.2424 175.4015 127 G 3.9324 8.9790 115.4044 46.0676 0.0000 173.4195 128 L 4.5517 7.7280 117.3733 54.0307 42.6736 178.5558 129 G 3.8996 7.7421 109.4027 45.8592 0.0000 175.2569 130 I 4.1384 8.2146 111.6273 63.4498 37.7489 177.3046 131 Q 4.2953 8.1784 121.0237 58.0752 28.9560 177.6606 132 G 3.5050 7.9076 106.7031 48.2113 0.0000 175.4735 133 Y 4.1105 7.8599 118.8182 61.0985 38.0600 178.4415 134 L 4.1202 8.0005 119.4528 57.7449 41.6759 179.3891 135 L 4.0989 8.3249 118.9277 57.4708 41.0607 179.3337 136 A 4.0672 7.8605 120.6385 54.9069 18.1603 179.6672 137 L 4.0124 8.1123 117.7212 57.9168 41.4733 179.6495 138 R 3.9137 7.7570 117.3509 59.5347 30.3263 177.4892 139 Y 4.2367 7.8806 119.3590 60.9142 38.6002 178.2515 140 L 4.1076 7.7233 117.3407 57.1485 41.7999 178.7892 141 A 4.2078 7.5798 119.8387 53.6628 18.4199 177.5662 142 E 4.5194 7.7320 114.1364 56.0546 31.2351 175.8112 143 H 4.2283 7.6191 121.3732 55.9454 29.8182 173.0352 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 L 8.04 4.40 0.00 1.36 1.63 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.41 4.57 1.99 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 1.22 0.86 0.95 0.00 0.00 5 V 9.93 4.39 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 1.09 0.00 0.00 0.95 0.00 0.00 6 N 8.97 5.12 0.00 2.68 2.67 0.00 0.00 6.18 7.29 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 7 V 8.83 4.59 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 0.99 0.00 0.00 0.93 0.00 0.00 8 I 9.06 4.79 1.96 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 1.21 0.86 1.17 0.00 0.00 9 N 9.10 5.37 0.00 2.73 2.82 0.00 0.00 6.48 7.49 0.00 0.00 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 G 9.48 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 0.00 0.00 0.00 0.00 11 P 0.00 4.84 0.00 2.25 2.23 0.00 4.23 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 2.11 1.99 0.00 12 N 9.07 4.48 0.00 3.00 3.05 0.00 0.00 7.01 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 13 L 7.61 4.30 0.00 1.94 1.79 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.04 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 0.00 0.00 0.00 15 R 7.45 4.46 0.00 2.02 1.98 0.00 3.36 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 16 L 7.29 4.05 0.00 1.80 1.86 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.07 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 0.00 0.00 0.00 18 R 8.42 4.28 0.00 1.94 2.02 0.00 3.08 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 *25 G 8.18 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 0.00 0.00 0.00 26 G 8.77 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.85 4.15 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 1.20 0.00 0.00 28 T 8.47 4.73 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 29 H 8.62 4.06 0.00 3.21 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.09 4.35 0.00 2.72 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 31 E 7.90 3.99 0.00 2.15 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 2.32 2.30 0.00 32 L 7.81 3.85 0.00 1.73 1.65 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.95 3.40 2.18 0.00 0.00 0.00 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 0.85 0.00 0.00 34 A 7.96 3.97 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 35 L 7.99 3.96 0.00 1.82 1.71 0.94 0.60 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 36 I 7.88 3.72 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.86 0.00 0.00 37 E 8.03 3.92 0.00 2.00 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 2.28 2.35 0.00 38 R 7.82 3.87 0.00 2.00 2.05 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.14 4.00 0.00 2.23 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 0.00 2.33 2.38 0.00 40 A 8.34 4.11 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 41 A 7.80 3.97 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 42 E 7.76 4.01 0.00 2.16 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 2.35 2.39 0.00 43 L 7.28 4.52 0.00 1.71 1.70 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.89 3.80 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 0.00 0.00 0.00 45 L 8.26 4.89 0.00 1.54 1.53 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.16 4.44 0.00 1.81 1.65 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.51 7.81 47 A 8.59 5.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 4.05 2.18 0.00 0.00 0.00 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 0.87 0.00 0.00 49 V 8.23 4.73 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 0.71 0.00 0.00 0.82 0.00 0.00 50 R 8.68 4.57 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.06 0.00 51 Q 8.53 5.15 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.12 0.00 52 S 8.89 4.81 0.00 3.95 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 53 D 8.94 4.56 0.00 2.75 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 54 S 7.86 4.71 0.00 3.83 3.59 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 55 E 8.69 3.88 0.00 2.04 1.88 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 2.34 2.35 0.00 56 A 7.83 3.90 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 57 Q 7.64 3.42 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 58 L 7.48 4.05 0.00 1.84 1.75 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.97 3.88 0.00 1.82 1.65 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.02 4.37 0.00 2.76 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 61 W 7.96 4.52 0.00 3.63 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.88 3.83 1.95 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 1.57 0.73 0.91 0.00 0.00 63 H 8.39 4.27 0.00 3.38 3.35 0.00 5.64 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 64 Q 8.26 4.03 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 65 A 8.34 4.06 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 66 A 8.32 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 67 D 8.07 4.32 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.85 4.34 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 69 A 7.43 3.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.07 4.79 0.00 1.88 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 2.28 2.42 0.00 71 P 0.00 4.61 0.00 2.16 2.23 0.00 3.82 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 1.99 0.00 72 V 8.57 4.84 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 1.01 0.00 0.00 1.00 0.00 0.00 73 I 9.14 4.87 1.95 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 1.16 0.52 1.06 0.00 0.00 74 L 9.21 5.13 0.00 1.71 1.49 1.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.32 5.25 0.00 2.87 3.02 0.00 0.00 6.96 7.48 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 76 A 8.67 3.88 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 77 G 7.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.76 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 0.00 0.00 0.00 79 L 7.84 4.53 0.00 1.83 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.52 3.89 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 1.26 0.00 0.00 81 H 7.68 4.91 0.00 3.32 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.87 4.50 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 1.28 0.00 0.00 83 S 8.19 4.59 0.00 3.86 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 84 V 7.99 3.40 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 0.99 0.00 0.00 0.25 0.00 0.00 85 A 7.81 3.92 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 86 L 8.00 3.91 0.00 1.77 1.67 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.60 3.91 0.00 2.02 2.08 0.00 3.44 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 88 D 8.08 4.36 0.00 2.82 2.72 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 89 A 7.92 4.17 1.32 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 0.00 0.00 0.00 90 C 8.09 4.20 0.00 3.19 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 91 A 7.65 4.13 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 92 E 7.95 4.12 0.00 2.26 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 0.00 2.37 2.38 0.00 93 L 7.26 4.13 0.00 1.70 1.78 0.95 1.39 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 94 S 8.64 4.46 0.00 3.98 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 95 A 7.71 4.37 1.32 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 0.00 0.00 0.00 96 P 0.00 4.42 0.00 2.22 2.16 0.00 3.59 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 2.20 2.18 0.00 97 L 8.50 5.18 0.00 1.69 1.49 0.97 0.91 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 98 I 8.89 4.83 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.79 0.00 0.00 99 E 8.92 4.80 0.00 2.02 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 2.16 2.19 0.00 100 V 8.72 4.78 1.71 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 0.20 0.00 0.00 0.73 0.00 0.00 101 H 8.85 4.95 0.00 3.02 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.65 3.96 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.92 0.00 0.00 103 S 7.89 4.60 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.34 4.54 0.00 2.73 2.75 0.00 0.00 6.89 7.71 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 0.00 105 V 8.15 3.61 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 0.57 0.00 0.00 0.65 0.00 0.00 106 H 7.98 4.38 0.00 3.16 3.30 0.00 5.63 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 0.00 107 A 7.71 4.69 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 0.00 108 R 7.22 4.64 0.00 1.60 1.53 0.00 3.18 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 109 E 8.23 3.97 0.00 1.16 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 2.34 2.26 0.00 110 E 8.61 3.91 0.00 1.98 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 2.36 2.24 0.00 111 F 7.63 4.42 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 6.92 3.71 0.00 1.75 1.77 0.00 2.89 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.00 113 R 7.63 4.12 0.00 1.91 1.97 0.00 3.07 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 114 H 7.89 4.87 0.00 2.99 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.91 4.68 0.00 3.78 3.61 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 0.00 116 Y 8.48 4.25 0.00 3.06 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 0.00 117 L 7.93 4.31 0.00 1.73 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.09 4.31 0.00 3.86 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 0.00 119 P 0.00 4.28 0.00 2.07 2.13 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 120 I 7.30 4.07 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 1.27 0.58 0.94 0.00 0.00 121 A 7.36 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.22 4.24 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 1.24 0.00 0.00 123 G 7.72 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 0.00 0.00 0.00 124 V 8.14 4.88 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 0.95 0.00 0.00 0.97 0.00 0.00 125 I 8.83 4.50 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 0.84 0.00 0.00 126 V 8.08 4.54 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 0.89 0.00 0.00 0.96 0.00 0.00 127 G 8.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.73 4.55 0.00 1.60 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.74 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 0.00 0.00 0.00 130 I 8.21 4.14 2.00 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 1.58 0.64 1.02 0.00 0.00 131 Q 8.18 4.30 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.91 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.86 4.11 0.00 3.27 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 0.00 134 L 8.00 4.12 0.00 1.73 1.75 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.32 4.10 0.00 1.68 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.86 4.07 1.42 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 0.00 0.00 137 L 8.11 4.01 0.00 1.98 1.77 0.94 0.64 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 0.00 138 R 7.76 3.91 0.00 1.88 2.18 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 139 Y 7.88 4.24 0.00 3.08 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 0.00 140 L 7.72 4.11 0.00 1.89 1.77 1.00 0.98 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 0.00 141 A 7.58 4.21 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 0.00 142 E 7.73 4.52 0.00 1.82 1.76 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 2.15 2.17 0.00 143 H 7.62 4.23 0.00 2.23 2.83 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.