NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3226 8.3344 115.2823 58.1185 64.1931 174.1091 4 I 3.5218 7.5423 119.4137 59.0612 38.1303 174.0885 5 S 4.4499 9.1802 123.5188 57.7408 64.9845 173.6674 6 E 4.0287 8.6459 120.7533 59.4856 29.5905 179.4861 7 K 4.0192 7.5101 112.7254 57.8521 32.1886 178.1070 *9 V 3.9598 7.8244 117.7078 62.8647 33.1443 176.9718 10 E 4.0209 8.4684 119.9262 59.3315 29.3272 178.7088 11 A 4.0032 8.2214 120.7356 55.0907 18.3687 179.6107 12 L 3.9659 7.8938 117.0212 58.0980 41.6758 179.2053 13 N 4.3820 8.8005 116.7012 56.6138 38.4916 177.6932 14 R 4.0520 8.4899 119.6973 59.1673 30.0165 178.9256 15 Q 4.0110 8.2479 119.6003 59.0865 29.0812 177.9259 16 I 3.7640 8.1449 121.2993 64.6684 37.1032 177.8026 17 N 4.4195 8.3417 117.3017 56.7187 38.7165 176.8182 18 A 4.1529 8.2015 122.2394 55.1595 18.4212 179.5369 19 E 4.0709 8.6956 117.5759 59.6745 29.5891 179.6184 20 I 3.7507 8.0425 119.9633 64.4324 36.9111 177.8848 21 Y 4.1216 8.5692 120.8730 60.6262 38.6293 177.8384 22 S 3.8037 8.5907 116.3724 61.7207 63.0149 176.4033 23 A 4.2176 8.1262 123.0377 55.8620 18.0419 179.1473 24 Y 4.3886 8.1097 117.7088 60.6038 38.6102 177.5352 25 L 3.6378 7.7013 120.9224 58.3453 42.1652 178.3982 26 Y 4.4944 7.3295 115.4737 60.7472 38.1423 177.5735 27 L 4.0212 8.2441 121.7052 57.7956 42.1953 179.6260 28 S 4.0454 7.9891 111.6163 58.3822 62.1795 175.7015 *30 A 4.5735 7.9765 124.0660 51.8588 20.4832 179.7397 31 S 4.0850 8.0156 109.7653 61.6311 61.7955 175.6827 32 Y 4.1132 8.2028 122.0844 60.9411 38.5715 178.2684 33 F 4.0280 7.9836 118.0481 60.4904 39.0736 177.1488 34 D 4.4225 8.5262 119.1349 57.4486 40.4307 179.0444 35 S 4.2757 8.0458 113.7215 60.1764 62.8815 175.0042 36 I 4.2378 6.7335 113.4016 60.2575 37.4231 175.6574 37 G 3.8588 8.0984 107.4012 47.1551 0.0000 175.1231 38 L 4.7175 7.6749 121.5584 52.5031 41.1627 177.4104 39 K 4.2453 8.2027 122.6810 58.7290 32.3148 178.9215 40 G 4.0500 8.6294 107.9060 47.4250 0.0000 175.6842 41 F 3.6192 8.5467 118.9298 60.1479 38.7855 177.3383 42 S 4.4033 7.9014 111.7694 61.3628 62.4827 175.2547 43 N 4.5209 8.2049 119.7820 56.4027 38.6651 177.5917 44 W 4.3149 8.1722 127.2926 58.0630 30.8117 177.6070 *46 R 4.4111 7.9909 118.3269 55.8067 31.8384 178.1810 47 V 3.5941 8.0164 117.2169 65.9281 31.3108 177.9352 48 Q 3.6994 7.9486 119.4257 58.6163 28.8930 177.9105 49 W 4.3328 8.3088 129.1279 60.6259 30.5788 177.8765 50 Q 3.5488 7.9000 116.7806 58.7092 28.2180 177.9241 51 E 3.9920 7.9542 119.2999 59.3472 29.8906 178.4491 52 E 4.0736 8.4102 118.8240 59.0229 29.2139 179.8319 53 L 4.1336 7.1708 115.8717 55.4351 41.5728 177.9207 *55 H 4.9634 8.1552 117.5062 56.2060 30.4923 175.4838 56 A 4.2014 8.0858 117.7695 53.0456 17.5453 177.6122 *58 K 4.1202 8.0139 118.1153 57.7200 33.9367 177.0579 *60 F 4.7006 7.9803 121.0209 57.9796 41.1317 176.7378 61 D 4.5626 8.2173 119.7790 56.9769 40.7148 178.3444 62 F 3.8543 8.1722 121.2579 61.0729 39.2918 177.1186 63 V 3.3097 7.7220 117.6058 66.1663 31.2333 178.0302 64 S 4.6226 7.3269 113.9545 60.6620 62.7039 175.8489 65 E 3.7937 7.7340 122.2086 59.0094 29.3974 178.3398 66 R 3.9366 7.3247 115.5538 56.5500 30.3023 177.3526 67 G 3.7707 7.9240 107.7945 44.9546 0.0000 173.7778 68 G 3.8244 7.7554 109.5803 44.0203 0.0000 172.6283 69 R 4.5688 7.9468 118.6225 53.9131 32.0499 174.9445 70 V 4.0054 7.9759 124.8458 61.6926 31.9149 174.7136 71 K 4.2117 8.3277 128.6223 54.7818 33.2432 175.2026 72 L 4.4206 8.0594 125.9690 53.5146 42.9793 175.4154 73 Y 4.7962 8.0752 119.4587 55.3936 41.0798 175.2144 74 A 4.1308 8.5694 123.7099 52.4905 18.9721 177.0979 75 V 4.3492 8.0879 120.8066 61.0237 32.7837 175.8085 76 E 4.2507 8.8102 126.9758 55.7329 30.0963 176.2969 77 E 4.1712 8.8278 123.6027 55.8928 30.0446 174.9933 78 P 4.9776 0.0000 0.0000 60.4231 32.6218 174.0063 79 P 4.3566 0.0000 0.0000 63.1095 31.5545 176.1315 80 S 4.6907 7.7468 109.7141 56.1658 64.3972 173.7427 81 E 4.4987 7.0628 119.3398 54.1469 32.7798 174.7509 82 W 4.4741 7.2530 120.2285 54.4515 32.7811 175.6248 83 D 4.4918 8.7357 120.2850 57.3159 40.7493 177.0483 84 S 4.7090 7.7544 111.7516 55.7326 66.5012 174.1356 85 P 4.5493 0.0000 0.0000 65.9335 30.9868 178.5752 86 L 4.0143 8.0442 118.0372 58.2889 42.1220 178.6286 87 A 4.1510 8.4838 120.7907 55.2352 18.2334 179.4393 88 A 3.2773 8.2724 119.2461 55.1393 18.3151 179.7940 89 F 3.8131 8.3138 116.0881 60.1268 39.0179 177.9850 90 E 4.1586 8.8947 118.9946 59.6941 29.1510 178.9061 91 H 4.3228 8.4721 118.3668 59.1632 29.9715 177.2200 92 V 3.7699 7.8609 120.3090 66.5219 31.1718 177.4514 93 Y 4.1339 8.3918 119.0446 60.7808 38.6471 177.6857 94 E 3.8051 8.6913 119.8641 59.3684 29.5584 178.6436 95 H 4.1665 9.1183 118.8551 59.5596 29.8948 177.2323 96 E 4.0927 8.4523 120.3177 59.2223 29.2725 179.2802 97 V 3.4192 7.7777 118.7216 66.1884 31.4990 177.6902 98 N 4.2978 8.2614 116.6022 56.4105 38.7020 176.8871 99 V 3.5686 8.1807 120.2246 66.3274 31.5400 178.0531 100 T 3.7823 8.1361 115.6141 66.6296 68.3116 176.2137 101 K 3.7947 7.9427 121.3815 59.7640 32.0979 178.6796 102 R 4.0948 7.9183 118.7180 59.3208 30.0350 178.4731 103 I 3.7426 8.1859 120.1421 64.8533 37.0519 178.1944 104 H 4.3404 8.7183 117.4142 58.7515 28.2443 177.6780 105 E 4.0025 8.2242 119.8813 59.4200 29.3674 179.0034 106 L 4.1683 7.8366 117.9059 57.7337 41.7607 179.3270 107 V 3.9054 7.6658 117.0052 66.0844 31.4952 178.9704 108 E 4.1605 8.1052 113.8083 56.8753 29.4310 177.2809 *110 A 4.2201 7.8055 120.1695 52.3254 20.1707 179.3760 *112 Q 4.2897 8.1428 119.5550 57.5564 30.4960 176.4197 113 E 4.1570 8.2034 113.8050 56.0868 29.8480 176.3209 114 K 3.3127 7.7913 116.7298 57.0589 29.9921 176.3603 115 D 4.5082 7.6487 118.3738 53.0624 38.5597 175.3271 116 F 4.6272 7.5635 122.6835 60.0183 39.4464 176.1998 117 A 4.2128 8.3513 120.0053 56.0488 18.0975 179.7870 118 T 4.1278 8.5618 113.8122 66.7435 68.3219 176.2505 119 Y 4.1006 8.3190 120.9843 60.9915 39.0422 177.6412 120 N 4.4572 8.9736 118.1278 56.6890 38.9744 176.4959 121 F 4.0035 8.3639 122.0373 61.2827 39.3136 177.0916 122 L 4.0956 8.1955 118.2597 57.3383 41.3461 179.2200 123 Q 3.8481 7.6763 118.1491 58.5377 28.4467 178.6837 124 W 3.8830 7.8451 129.4186 60.4584 30.5624 177.6798 125 Y 3.7460 7.8601 116.3952 60.4505 36.9319 177.6847 126 V 3.5760 8.0403 119.3389 66.2604 31.7017 177.9571 127 A 3.8491 7.7535 120.1069 55.0987 18.1515 179.2487 128 E 3.4670 7.7081 117.8536 59.2065 29.4328 179.0380 129 Q 3.9768 8.2793 118.5594 58.6579 28.8106 178.6317 130 V 3.5767 7.3849 118.7548 66.3203 31.3815 178.0592 131 E 3.9878 7.6901 117.1143 59.2306 29.4230 179.0233 132 E 4.0363 8.2900 118.6937 59.5381 29.5365 179.2551 133 E 4.1074 8.5282 118.4153 59.5276 29.5265 179.3562 134 A 4.0525 7.9519 120.1928 55.3410 18.3342 179.7972 135 S 4.1425 8.5724 113.8130 61.8070 62.9170 176.9036 136 A 4.2467 8.1972 123.0467 55.1894 18.2091 179.4992 137 L 3.7987 8.3071 119.0800 58.0878 42.1161 178.8300 138 D 4.3209 8.4324 119.4091 57.4656 40.6741 178.8997 139 I 3.4222 7.3424 120.3770 63.8444 36.9059 178.4843 140 V 3.5409 8.0013 119.5973 66.2101 31.3493 177.8690 141 E 3.9098 8.5275 118.3977 59.4230 29.1911 179.6000 142 K 3.9347 8.0268 118.3654 59.5110 32.1151 179.4792 143 L 4.0087 8.1353 119.3836 57.5543 41.2380 179.8541 144 R 3.9105 7.9119 117.6334 59.0871 30.1122 178.3145 145 L 4.0740 7.7604 118.9075 58.2134 42.2041 178.8738 146 I 3.8224 8.0773 120.0526 63.8113 37.3207 176.5862 147 G 4.0452 8.4230 107.4501 47.0729 0.0000 174.8925 148 E 4.2004 8.7476 123.6659 56.3310 29.9943 175.8753 149 D 4.3538 7.7578 119.7068 54.5902 41.7982 176.5318 150 K 4.1259 8.5944 127.9726 59.0947 32.2615 179.5812 151 R 3.9600 8.1020 118.0984 59.1592 30.0815 178.7051 152 A 4.0231 8.7738 121.0470 54.8857 18.2839 179.1906 153 L 3.9889 7.9468 118.9625 58.6769 42.1063 179.4421 154 L 4.0690 8.1272 118.6087 57.3816 41.4537 179.2010 155 F 3.9734 8.2774 120.9136 61.3098 39.3292 176.8311 156 L 3.9039 8.2473 119.8621 58.1883 41.8158 178.3225 157 D 4.2042 8.5774 118.2637 57.3644 40.6574 178.3127 158 K 3.8775 8.1345 120.1137 59.1565 32.1166 178.4501 159 E 3.7350 7.9406 119.7505 59.2745 29.5910 178.9266 160 L 4.0298 8.0853 119.3895 57.2944 41.3561 179.2542 161 S 4.2703 7.4224 112.2459 60.4711 62.9407 175.7237 162 L 4.1624 7.6487 121.7916 55.3148 41.9463 177.1840 163 R 3.9018 7.2825 119.7951 56.4206 30.5943 175.9904 164 Q 4.1850 8.4793 124.4174 56.1955 29.2066 174.8856 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 S 8.33 4.32 0.00 3.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.54 3.52 1.80 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 1.44 1.20 0.87 0.00 0.00 5 S 9.18 4.45 0.00 4.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.65 4.03 0.00 2.01 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 2.38 2.23 0.00 7 K 7.51 4.02 0.00 1.79 1.77 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.82 3.96 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 0.86 0.00 0.00 0.93 0.00 0.00 10 E 8.47 4.02 0.00 2.14 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 0.00 2.33 2.41 0.00 11 A 8.22 4.00 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 12 L 7.89 3.97 0.00 1.85 1.77 1.04 0.78 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 13 N 8.80 4.38 0.00 2.96 3.14 0.00 0.00 7.07 7.52 0.00 0.00 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 R 8.49 4.05 0.00 1.97 1.97 0.00 3.07 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 15 Q 8.25 4.01 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 16 I 8.14 3.76 2.16 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 1.54 0.94 1.06 0.00 0.00 17 N 8.34 4.42 0.00 3.09 3.02 0.00 0.00 7.13 8.43 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 18 A 8.20 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.70 4.07 0.00 2.22 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 2.69 2.64 0.00 20 I 8.04 3.75 2.05 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 1.38 1.03 0.90 0.00 0.00 21 Y 8.57 4.12 0.00 3.17 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.59 3.80 0.00 4.16 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 23 A 8.13 4.22 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.39 0.00 3.20 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 25 L 7.70 3.64 0.00 0.82 1.10 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.33 4.49 0.00 3.22 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 27 L 8.24 4.02 0.00 1.55 1.58 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.99 4.05 0.00 3.75 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 *30 A 7.98 4.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.02 4.08 0.00 3.92 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 32 Y 8.20 4.11 0.00 3.52 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.98 4.03 0.00 3.24 3.20 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 34 D 8.53 4.42 0.00 2.85 2.73 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 35 S 8.05 4.28 0.00 4.01 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 36 I 6.73 4.24 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.65 0.76 0.00 0.00 37 G 8.10 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.67 4.72 0.00 1.79 1.80 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.20 4.25 0.00 1.79 1.88 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.63 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 0.00 0.00 0.00 41 F 8.55 3.62 0.00 2.53 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.90 4.40 0.00 4.16 4.08 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 43 N 8.20 4.52 0.00 2.83 3.02 0.00 0.00 6.89 7.23 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 44 W 8.17 4.31 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 R 7.99 4.41 0.00 2.10 2.10 0.00 3.22 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 47 V 8.02 3.59 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 0.81 0.00 0.00 0.92 0.00 0.00 48 Q 7.95 3.70 0.00 1.55 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.55 2.26 0.00 49 W 8.31 4.33 0.00 3.72 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 50 Q 7.90 3.55 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 51 E 7.95 3.99 0.00 1.86 1.99 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 2.15 2.29 0.00 52 E 8.41 4.07 0.00 2.05 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 2.78 2.80 0.00 53 L 7.17 4.13 0.00 1.52 1.41 0.60 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.16 4.96 0.00 3.53 3.81 0.00 5.72 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 56 A 8.09 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.12 0.00 1.69 1.99 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.23 7.81 *60 F 7.98 4.70 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.22 4.56 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.17 3.85 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 3.31 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 0.87 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 141 E 8.53 3.91 0.00 2.05 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 2.26 2.36 0.00 142 K 8.03 3.93 0.00 1.80 1.80 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 143 L 8.14 4.01 0.00 1.80 1.74 1.00 1.21 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 0.00 144 R 7.91 3.91 0.00 1.92 1.97 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 145 L 7.76 4.07 0.00 1.59 1.85 0.89 0.95 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 0.00 146 I 8.08 3.82 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.96 0.00 0.00 147 G 8.42 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 0.00 0.00 0.00 148 E 8.75 4.20 0.00 1.97 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 2.28 2.23 0.00 149 D 7.76 4.35 0.00 2.66 2.73 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 0.00 150 K 8.59 4.13 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.68 7.81 151 R 8.10 3.96 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 A 8.77 4.02 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 0.00 153 L 7.95 3.99 0.00 1.81 1.93 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.13 4.07 0.00 1.96 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.28 3.97 0.00 3.16 3.21 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 0.00 156 L 8.25 3.90 0.00 1.91 2.02 0.72 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.58 4.20 0.00 3.10 2.94 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 0.00 158 K 8.13 3.88 0.00 1.72 1.81 0.00 1.27 0.00 0.00 1.25 0.00 0.00 2.72 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.27 1.45 7.81 159 E 7.94 3.74 0.00 1.99 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 2.25 2.30 0.00 160 L 8.09 4.03 0.00 1.42 1.68 0.60 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.42 4.27 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.65 4.16 0.00 1.83 1.72 0.89 0.68 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 0.00 163 R 7.28 3.90 0.00 1.83 1.80 0.00 2.62 0.00 0.00 2.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 164 Q 8.48 4.19 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.