NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4496 8.3349 115.2909 58.3025 63.5725 172.8001 3 T 4.4934 8.2984 121.3266 60.8188 71.8840 171.7321 4 S 4.7920 8.7391 120.1184 56.2741 66.8303 171.8324 5 L 5.0769 8.5495 127.5724 53.6880 44.4100 175.3018 6 T 4.7077 9.0780 123.3124 61.7102 71.7990 173.1636 7 I 5.3900 8.3046 125.5774 58.6541 39.9562 174.8659 8 R 4.6361 8.0107 121.2072 54.6904 32.8007 173.7315 9 L 4.2500 8.7005 122.0849 54.8703 42.5749 177.0005 10 V 3.8281 7.9465 124.7819 62.1110 31.9445 175.3725 11 A 4.7686 9.5730 124.8520 49.6798 21.9055 177.3691 12 E 4.2493 9.0624 120.7934 59.9087 29.4071 180.1279 13 A 4.1454 8.0365 119.1060 55.2607 18.6704 178.9496 14 D 4.3497 9.0808 118.6107 56.8217 40.7057 178.6944 15 W 4.3748 7.7350 119.0035 59.2023 29.1995 176.2656 16 P 4.3083 0.0000 0.0000 66.2628 30.3979 178.2525 17 A 3.9953 7.9588 120.2491 54.4923 18.2976 179.2556 18 L 3.8212 8.0384 117.6522 58.1416 41.5324 179.2091 19 H 3.2956 8.5454 117.8769 59.1342 29.6328 176.9798 20 A 3.9917 7.5380 120.6823 55.0965 18.3984 179.1867 21 L 4.0192 8.0009 118.6644 58.4505 42.0969 178.7088 22 D 4.5534 7.9193 116.5165 57.2774 41.0820 177.9259 23 Q 4.0409 7.5020 117.5863 57.9154 28.6479 177.8442 24 I 4.1218 7.6996 120.8061 63.4703 37.9388 177.6726 25 I 3.7269 7.6329 112.2881 63.7684 37.4295 177.0121 *39 S 4.2837 7.7566 113.1050 57.8957 64.7100 174.7728 40 L 3.9959 8.0252 121.6946 56.5616 42.1872 177.1715 41 A 4.4165 7.7216 119.3781 52.6741 21.3953 178.1966 42 A 3.9229 8.0395 118.7663 55.6890 18.6561 179.1530 43 Y 4.1763 7.9039 114.9745 60.5595 39.2267 176.7052 44 Q 2.8724 7.8438 119.7736 58.2444 29.4510 176.3999 45 E 3.8629 8.0366 118.1271 58.3805 29.8840 178.0293 46 K 3.6954 7.1120 114.7501 57.0684 31.8967 176.9720 *48 K 4.1726 8.0472 119.7709 55.9478 33.5884 176.6560 49 D 4.4801 7.8821 116.9080 56.4359 41.1581 176.6159 50 E 4.0510 7.8494 118.1304 56.4046 30.2540 176.8537 51 T 4.1732 8.2093 119.4205 62.7149 69.2581 173.1804 52 I 4.8779 7.7703 127.1175 59.2257 40.4370 174.8134 53 F 5.2637 9.2580 125.1350 55.7559 42.3039 174.9300 54 V 4.9462 8.8783 114.4558 59.5406 35.5197 174.3948 55 A 4.9944 8.8771 126.0609 50.4751 21.0879 175.7708 56 I 4.6433 9.0240 124.8885 59.5139 40.1669 174.7370 57 S 4.9131 8.6203 122.6509 56.2429 64.5457 174.8076 58 G 4.0154 8.9180 119.6903 47.0991 0.0000 173.3635 59 Q 4.5255 8.9433 121.4417 55.4079 29.7467 174.0906 60 Q 4.4779 7.7813 114.4040 53.5225 30.6303 174.7137 61 L 4.2352 8.1945 121.8672 54.5540 42.4224 176.0720 62 A 3.6797 8.7402 128.4117 51.4729 21.1450 176.3416 63 G 4.2490 7.2761 101.4131 46.8400 0.0000 171.3938 64 F 5.4460 7.9284 113.6996 55.6039 41.7705 173.1789 65 I 4.9935 8.9274 119.8763 59.3137 40.9910 173.5408 66 E 5.2892 9.6650 130.2809 54.7442 32.2459 174.9164 67 V 5.1482 8.4066 117.9247 59.4059 35.9059 174.1740 68 H 4.8031 8.2334 116.5272 54.0446 31.4730 171.3926 69 P 5.2972 0.0000 0.0000 61.5498 31.7942 175.1978 70 P 4.4021 0.0000 0.0000 65.3765 31.3265 175.8357 71 T 4.7983 7.3741 106.2451 59.7080 71.8785 173.5701 72 S 4.4301 8.5933 115.7838 59.4010 63.4037 175.1486 73 L 4.0877 7.7459 121.9471 54.5236 42.1630 178.0504 74 A 3.9905 8.8383 125.3963 55.3402 18.4927 179.5871 75 A 4.1182 7.9712 116.9117 54.8148 18.3447 177.5988 76 H 4.8779 8.0950 112.2434 56.0751 29.0252 176.3719 77 Q 4.3894 8.0013 118.1262 56.9368 28.9141 176.3263 78 K 4.5421 7.9239 117.3139 55.9305 33.7607 175.0944 79 Q 4.9997 8.0143 120.7541 54.0923 32.8115 173.8343 80 W 5.5327 9.0576 125.2538 54.8929 32.2039 174.4458 81 L 4.9441 9.2073 128.1373 54.3529 42.7612 175.2793 82 L 5.2765 8.6268 126.5478 54.2136 43.2738 176.0288 83 S 4.7733 9.1854 116.5295 57.0057 66.8151 172.8886 84 I 4.6619 8.5972 124.9716 59.3498 39.5331 175.2566 85 G 3.5472 7.6809 112.8014 44.0525 0.0000 171.4974 86 V 4.7981 8.0140 123.8723 60.5197 34.3658 175.1078 87 S 4.3429 9.0005 122.9057 57.8130 62.9226 173.4530 88 P 4.2434 0.0000 0.0000 65.3507 31.2326 176.9097 89 D 4.5670 8.0754 115.8851 54.5606 41.0653 176.2793 90 F 5.0843 7.8622 117.8594 55.8820 38.9547 175.2643 91 Q 4.1521 8.0776 118.4343 56.5863 29.5640 175.7211 92 D 4.4653 8.5478 117.1449 55.9482 38.3434 174.0771 93 Q 4.5095 7.2925 109.5920 55.8228 29.7070 176.1400 94 G 3.9553 8.4739 104.2599 47.8047 0.0000 176.6741 95 I 3.7136 7.9192 122.0173 64.0101 37.1325 178.0241 96 G 3.7274 8.1195 106.1609 48.0574 0.0000 175.6501 97 G 3.6732 8.2467 108.2656 47.3323 0.0000 175.7740 98 S 4.1751 8.1276 116.5126 61.2015 63.1160 176.6185 99 L 3.9994 8.1619 122.7850 57.3965 41.3995 179.2561 100 L 4.0212 8.1139 120.3748 58.1683 41.9029 178.8995 101 S 4.0897 8.3586 113.4171 61.5301 62.0643 175.6028 102 Y 3.9680 7.7692 121.1460 60.6227 38.6486 177.2053 103 I 3.7531 7.7730 118.6312 63.9057 38.3088 177.7450 104 K 4.2467 7.9555 119.0980 59.2904 31.5215 179.2028 105 D 4.6023 7.6391 116.3985 54.8645 40.4675 178.0584 *107 A 3.7233 7.9608 124.9365 52.0654 20.5121 179.4738 108 E 3.9053 7.9534 116.4287 59.1705 29.8328 179.0059 109 I 3.7259 7.2815 111.0107 63.4483 37.9839 177.0848 110 S 4.2000 7.9309 114.9613 59.1261 62.9009 174.8683 111 G 3.8171 7.5464 108.1559 45.6531 0.0000 173.4024 112 I 3.7324 7.5258 121.1124 60.8565 37.7394 175.4990 113 H 4.5977 9.1520 125.5330 57.7022 31.3409 174.7766 114 K 4.8026 7.7079 118.3138 54.6531 35.8620 174.7745 115 L 5.5059 8.9828 127.0390 53.3448 44.7056 175.5619 116 S 5.4459 9.1017 116.0863 57.5447 67.2000 172.3047 117 L 4.7062 8.6765 119.2484 55.4263 43.9068 173.6433 118 R 5.3940 8.6142 118.3036 54.3282 32.3619 176.4391 119 V 4.2603 8.7773 124.2327 61.0898 34.4968 177.5939 *121 A 4.1312 8.8832 119.1515 51.9777 20.1416 177.5265 122 T 4.2320 7.8465 103.5101 63.0066 69.8935 175.2688 123 N 4.6771 7.8347 122.9548 52.3328 37.6471 174.5279 124 Q 4.0939 8.1861 123.6430 58.6369 29.5067 177.0634 125 E 3.9906 8.1686 118.1496 59.3661 29.7987 178.8472 126 A 3.9956 8.0613 121.9326 54.6570 18.3683 179.6083 127 I 3.4906 7.8523 118.4293 64.7020 37.2493 178.7979 128 R 3.9028 8.0696 118.7048 59.1374 29.9837 178.7633 129 F 4.0300 8.3834 120.5220 61.7299 39.3906 176.8178 130 Y 3.6034 8.0330 116.4747 60.8938 37.5381 178.6014 131 E 4.3529 8.2208 121.0101 58.7471 29.3542 179.0923 132 K 3.9030 8.2069 119.1879 59.5050 32.1382 177.3242 133 H 4.6463 7.5863 114.2179 55.4410 28.9561 176.0558 134 G 4.1353 7.9780 107.9839 45.7417 0.0000 174.1437 135 F 4.8273 8.7242 118.8305 57.1764 40.4225 175.0522 136 V 4.7287 9.0496 115.9314 59.3352 34.7808 174.9654 137 Q 3.7476 8.6734 125.5425 56.3425 28.8221 175.3909 138 E 4.6835 9.2032 125.0207 56.4922 31.9496 176.0121 139 A 4.3280 7.4173 120.1799 50.5882 22.8771 174.7807 140 H 4.7542 8.3338 120.4181 54.3443 31.9096 172.3694 141 F 4.6892 9.1096 125.6411 56.4592 39.6662 175.0989 142 K 4.6741 8.7430 123.7718 55.6454 33.2922 176.9951 143 E 3.8986 9.3114 123.1376 57.6428 27.6212 174.8327 144 E 4.1764 8.1843 119.0376 57.1688 31.2656 175.6039 145 F 5.0834 8.2087 117.7920 55.6336 41.0540 173.8419 146 Y 4.3766 8.8483 126.8573 56.6718 39.4092 174.6248 147 I 4.0132 8.3193 128.0711 59.9564 40.0663 174.9465 148 N 4.0503 9.4142 126.3956 54.0572 36.8323 173.6020 149 G 3.9011 6.9491 106.9986 45.1165 0.0000 172.0567 150 H 4.9217 7.3989 115.3993 53.9504 32.0091 171.7445 151 Y 5.1309 8.5175 118.9821 56.8617 39.5852 174.9183 152 C 5.0308 9.4947 121.4617 58.1132 31.5517 173.4827 153 D 5.2778 8.6800 121.9130 54.0522 42.1998 175.0925 154 D 4.9293 8.8124 118.5971 53.2268 45.3169 173.6268 155 Y 5.3736 9.4087 121.6531 56.3978 41.6052 174.1974 156 Q 5.3130 8.5286 122.5311 54.7581 31.9352 173.9121 157 Y 5.2468 9.1705 123.4237 56.3504 41.3058 174.5903 158 A 5.2488 9.4726 123.3572 50.4423 23.3973 174.3120 159 Y 4.3170 8.5623 121.1865 55.4659 41.9659 174.2404 160 F 4.6160 7.3974 125.1338 55.3959 40.2950 175.8577 161 I 3.9661 8.0274 124.3174 61.5663 36.4852 176.3308 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.45 0.00 3.85 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 3 T 8.30 4.49 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 4 S 8.74 4.79 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.55 5.08 0.00 1.63 1.48 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.08 4.71 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 1.17 0.00 0.00 7 I 8.30 5.39 1.46 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 0.84 0.89 -0.09 0.00 0.00 8 R 8.01 4.64 0.00 1.87 2.00 0.00 2.95 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 9 L 8.70 4.25 0.00 1.75 1.63 0.45 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.95 3.83 1.78 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 0.58 0.00 0.00 0.13 0.00 0.00 11 A 9.57 4.77 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 12 E 9.06 4.25 0.00 2.11 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 2.48 2.54 0.00 13 A 8.04 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.08 4.35 0.00 2.20 2.45 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 15 W 7.74 4.37 0.00 3.60 3.32 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 16 P 0.00 4.31 0.00 2.30 2.38 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 17 A 7.96 4.00 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 18 L 8.04 3.82 0.00 1.85 1.88 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.55 3.30 0.00 3.32 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.54 3.99 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 21 L 8.00 4.02 0.00 1.94 1.82 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.92 4.55 0.00 2.60 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.50 4.04 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 24 I 7.70 4.12 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 1.56 0.67 0.90 0.00 0.00 25 I 7.63 3.73 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.68 0.94 0.00 0.00 *39 S 7.76 4.28 0.00 3.85 4.05 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 40 L 8.03 4.00 0.00 1.60 1.69 0.91 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 41 A 7.72 4.42 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 42 A 8.04 3.92 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 43 Y 7.90 4.18 0.00 2.94 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 44 Q 7.84 2.87 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 45 E 8.04 3.86 0.00 1.77 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 2.15 2.11 0.00 46 K 7.11 3.70 0.00 1.81 1.69 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.32 7.81 *48 K 8.05 4.17 0.00 1.67 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.32 7.81 49 D 7.88 4.48 0.00 2.66 2.69 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 50 E 7.85 4.05 0.00 1.94 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 2.25 2.22 0.00 51 T 8.21 4.17 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 0.97 0.00 0.00 52 I 7.77 4.88 1.61 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.79 0.00 0.00 53 F 9.26 5.26 0.00 2.96 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 54 V 8.88 4.95 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 0.63 0.00 0.00 0.86 0.00 0.00 55 A 8.88 4.99 1.09 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 56 I 9.02 4.64 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.88 0.00 0.00 57 S 8.62 4.91 0.00 3.59 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 58 G 8.92 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 59 Q 8.94 4.53 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 60 Q 7.78 4.48 0.00 2.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 61 L 8.19 4.24 0.00 1.49 1.51 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.74 3.68 0.61 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 0.00 0.00 63 G 7.28 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 0.00 0.00 0.00 0.00 64 F 7.93 5.45 0.00 3.16 3.04 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 65 I 8.93 4.99 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.99 1.07 0.00 0.00 66 E 9.66 5.29 0.00 2.20 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 2.22 2.43 0.00 67 V 8.41 5.15 1.08 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 0.87 0.00 0.00 -0.20 0.00 0.00 68 H 8.23 4.80 0.00 3.26 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.75 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 5.30 0.00 2.30 2.34 0.00 3.91 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 70 P 0.00 4.40 0.00 2.09 2.18 0.00 3.89 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 1.58 1.83 0.00 71 T 7.37 4.80 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 1.30 0.00 0.00 72 S 8.59 4.43 0.00 3.92 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 73 L 7.75 4.09 0.00 1.72 1.61 0.93 1.29 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 74 A 8.84 3.99 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 75 A 7.97 4.12 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 76 H 8.10 4.88 0.00 3.44 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.00 4.39 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.30 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 78 K 7.92 4.54 0.00 1.68 1.73 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 79 Q 8.01 5.00 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 80 W 9.06 5.53 0.00 3.36 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.21 4.94 0.00 1.70 1.52 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.63 5.28 0.00 1.76 1.76 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.19 4.77 0.00 3.89 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 84 I 8.60 4.66 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.69 0.00 0.00 85 G 7.68 3.55 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 0.00 0.00 0.00 86 V 8.01 4.80 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 0.85 0.00 0.00 0.73 0.00 0.00 87 S 9.00 4.34 0.00 4.05 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 88 P 0.00 4.24 0.00 2.06 2.09 0.00 3.76 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 2.03 2.11 0.00 89 D 8.08 4.57 0.00 2.58 2.30 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 90 F 7.86 5.08 0.00 2.90 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 91 Q 8.08 4.15 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.34 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 92 D 8.55 4.47 0.00 2.75 2.69 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 93 Q 7.29 4.51 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.07 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 94 G 8.47 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 0.00 0.00 0.00 0.00 95 I 7.92 3.71 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.81 0.00 0.00 96 G 8.12 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 97 G 8.25 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 0.00 0.00 0.00 98 S 8.13 4.18 0.00 4.10 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 0.00 99 L 8.16 4.00 0.00 2.06 1.78 0.84 0.35 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 0.00 100 L 8.11 4.02 0.00 1.94 1.67 1.12 -0.04 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 0.00 101 S 8.36 4.09 0.00 4.00 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 0.00 102 Y 7.77 3.97 0.00 3.05 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 0.00 103 I 7.77 3.75 2.09 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 1.64 1.09 1.08 0.00 0.00 104 K 7.96 4.25 0.00 1.97 1.83 0.00 1.49 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 1.57 7.81 105 D 7.64 4.60 0.00 2.61 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 *107 A 7.96 3.72 1.25 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 0.00 0.00 108 E 7.95 3.91 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 109 I 7.28 3.73 1.87 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 1.30 0.60 0.95 0.00 0.00 110 S 7.93 4.20 0.00 3.59 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 0.00 111 G 7.55 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 0.00 0.00 0.00 112 I 7.53 3.73 1.16 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.36 0.39 0.00 0.00 113 H 9.15 4.60 0.00 3.15 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.71 4.80 0.00 1.75 1.50 0.00 1.80 0.00 0.00 2.02 0.00 0.00 2.73 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.12 0.58 7.81 115 L 8.98 5.51 0.00 1.66 1.79 1.05 0.87 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 0.00 116 S 9.10 5.45 0.00 3.99 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 0.00 117 L 8.68 4.71 0.00 1.68 1.71 0.34 0.10 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 0.00 118 R 8.61 5.39 0.00 1.84 2.27 0.00 3.26 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 119 V 8.78 4.26 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 1.24 0.00 0.00 1.09 0.00 0.00 *121 A 8.88 4.13 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 0.00 122 T 7.85 4.23 4.27 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 1.24 0.00 0.00 123 N 7.83 4.68 0.00 2.80 2.85 0.00 0.00 6.84 6.82 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 0.00 124 Q 8.19 4.09 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 125 E 8.17 3.99 0.00 2.21 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 0.00 2.51 2.30 0.00 126 A 8.06 4.00 1.51 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 0.00 127 I 7.85 3.49 2.11 0.00 0.00 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 1.81 0.84 0.97 0.00 0.00 128 R 8.07 3.90 0.00 2.11 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 129 F 8.38 4.03 0.00 2.94 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 0.00 130 Y 8.03 3.60 0.00 2.63 2.39 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 0.00 131 E 8.22 4.35 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.14 0.00 132 K 8.21 3.90 0.00 1.64 2.01 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.29 7.81 133 H 7.59 4.65 0.00 2.89 3.19 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.98 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 0.00 0.00 0.00 0.00 135 F 8.72 4.83 0.00 3.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 9.05 4.73 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 0.81 0.00 0.00 1.08 0.00 0.00 137 Q 8.67 3.75 0.00 1.39 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 138 E 9.20 4.68 0.00 1.80 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 2.31 2.29 0.00 139 A 7.42 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.33 4.75 0.00 3.19 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 9.11 4.69 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 0.00 142 K 8.74 4.67 0.00 1.61 1.71 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.22 1.29 7.81 143 E 9.31 3.90 0.00 1.93 1.78 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 2.33 2.23 0.00 144 E 8.18 4.18 0.00 1.87 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 1.64 1.47 0.00 145 F 8.21 5.08 0.00 3.27 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 0.00 146 Y 8.85 4.38 0.00 2.76 2.88 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 0.00 147 I 8.32 4.01 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.10 0.82 0.00 0.00 148 N 9.41 4.05 0.00 2.61 2.67 0.00 0.00 7.49 7.98 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 0.00 149 G 6.95 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 0.00 150 H 7.40 4.92 0.00 3.07 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.52 5.13 0.00 2.96 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 0.00 152 C 9.49 5.03 0.00 2.97 2.89 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 0.00 153 D 8.68 5.28 0.00 2.48 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 0.00 154 D 8.81 4.93 0.00 2.91 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 0.00 155 Y 9.41 5.37 0.00 3.13 2.54 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 0.00 156 Q 8.53 5.31 0.00 2.47 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 157 Y 9.17 5.25 0.00 3.02 3.10 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 0.00 158 A 9.47 5.25 1.01 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 0.00 0.00 159 Y 8.56 4.32 0.00 1.43 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 0.00 0.00 0.00 160 F 7.40 4.62 0.00 2.67 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 0.00 161 I 8.03 3.97 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.