NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 L 4.2269 8.0433 120.7276 54.2657 44.2157 178.7023 25 K 3.8603 7.7441 116.8223 59.0758 32.3049 178.6682 26 S 3.8298 7.5751 118.8096 63.3898 62.1216 178.1244 27 T 2.9310 6.9918 113.0190 64.0557 68.2025 176.0932 28 A 4.0008 7.2824 122.2017 54.9929 18.2825 179.5327 29 K 4.1593 7.9597 116.7792 59.2160 31.8971 179.6761 30 W 4.6443 7.7959 118.5504 59.4489 29.0643 178.0089 31 A 4.1325 7.9743 119.0591 54.3487 17.9183 178.6471 32 A 4.1509 7.6953 119.3658 55.0834 18.9209 178.2659 33 S 4.6021 7.5639 107.6356 56.3474 66.5407 175.9337 34 L 2.9959 7.5844 124.3159 57.7595 41.7209 178.8920 35 E 3.9511 8.1604 118.1986 59.7028 29.3338 178.9102 36 N 4.3803 8.0950 116.1647 56.2016 38.3857 177.1799 37 L 3.6984 7.4111 120.0331 58.2021 42.3249 178.9154 38 L 4.0094 7.7566 116.9244 56.8922 41.5197 178.6806 39 E 4.4318 7.8865 118.0805 57.3428 29.8440 176.1671 40 D 4.6805 7.6551 120.2153 52.5667 41.5400 175.0298 41 P 4.2669 0.0000 0.0000 65.9139 31.2294 178.0405 42 E 4.0998 8.5094 118.9601 58.9205 29.6492 178.7238 43 G 2.0864 8.6605 106.2431 47.2813 0.0000 175.7436 44 V 3.5398 7.7154 120.9942 65.3481 31.4649 177.9556 45 K 3.8685 7.9701 119.3122 59.8007 32.0474 179.1095 46 R 4.0922 7.8829 118.1930 59.0412 29.8380 178.9293 47 F 3.6154 8.0569 120.7045 60.8696 39.2449 177.2731 48 R 3.6764 8.3248 118.1610 59.6110 29.7032 178.8143 49 E 3.9201 7.9080 116.5967 59.2283 29.4342 179.0275 50 F 4.3579 8.0192 120.4734 61.3528 39.5449 177.3032 51 L 3.6952 7.9480 118.9357 57.4261 41.4114 179.4222 52 K 3.6373 8.0336 118.7312 59.6154 31.7931 179.4624 53 K 3.7360 7.3040 116.8483 58.3245 31.8918 178.2626 54 E 4.4488 7.2750 115.8799 54.6405 30.4129 175.5192 55 F 3.8050 7.2121 116.3389 58.6940 37.0396 175.6629 56 S 5.0464 7.8644 108.7097 56.2703 64.0157 175.9953 57 E 3.8459 8.3460 124.2146 59.7864 29.2089 177.3127 58 E 4.1984 8.3570 117.6416 59.6373 29.2707 178.7901 59 N 4.4486 7.9896 117.4673 56.3244 38.6639 177.7299 60 V 3.7386 7.6539 119.8749 64.7349 31.5801 178.0685 61 L 4.0094 7.9514 119.7407 57.5559 41.5556 179.2426 62 F 2.7486 8.2728 120.8483 60.3931 39.1986 176.8943 63 W 3.5718 8.0534 127.8701 60.4494 30.6083 177.9063 64 L 3.9677 8.5379 119.0928 57.7411 40.9905 179.3544 65 A 3.9378 7.9438 120.7633 55.4104 18.2726 179.5407 66 C 3.9098 7.3116 115.0567 62.8021 27.8424 176.1857 67 E 3.7020 7.2571 119.2994 59.0716 29.2446 178.9050 68 D 4.4340 8.0411 118.9980 57.3373 40.5156 178.2314 69 F 4.1308 8.2868 121.1429 61.5093 39.0846 177.0093 70 K 3.7939 7.9303 116.4969 59.8231 31.9757 179.0630 71 K 4.0500 7.6035 116.8064 58.3809 32.3700 177.8999 72 M 4.2480 7.0349 115.6254 54.9091 31.8857 175.9857 73 Q 4.3020 8.3059 117.8941 56.4704 30.7543 175.6772 74 D 4.4146 7.8535 118.9213 53.6643 41.9902 176.2242 75 K 3.8342 8.7610 127.4249 60.1807 31.9164 179.2511 76 T 4.0584 8.0836 117.7231 67.1947 68.0582 177.5710 77 Q 4.0817 8.7326 122.7183 59.8756 27.9855 180.3357 78 M 4.2978 8.3169 118.6370 59.0284 32.3978 178.2919 79 Q 4.1047 8.1362 118.2560 59.0231 28.8033 178.7219 80 E 4.0117 8.0346 119.5632 59.3796 29.5429 179.3564 81 K 4.0460 8.0146 118.5196 59.2615 32.2369 178.7583 82 A 3.9516 8.7119 121.5031 55.0649 18.4015 179.5085 83 K 3.8976 8.0549 116.9568 59.8877 32.3116 179.1197 84 E 4.0064 8.4332 119.4340 59.3955 29.5391 178.9322 85 I 3.9457 8.3348 120.4015 64.4748 37.1062 177.7957 86 Y 4.0004 8.0665 120.5301 60.9780 38.4261 177.9304 87 M 4.1350 8.1499 118.6835 58.3406 32.4932 178.5370 88 T 3.8052 7.7994 115.7691 65.4760 68.5887 176.3727 89 F 5.3037 7.9801 117.0765 56.3253 41.4624 176.7582 90 L 4.2841 7.4187 117.8786 54.8693 43.6262 176.9491 91 S 3.9667 7.2203 113.5607 57.6682 62.8023 175.1954 92 S 4.2526 8.5212 122.1820 61.2490 62.7089 175.5046 93 K 4.1825 7.7262 117.2494 56.6022 32.3423 177.0602 94 A 4.0298 7.5076 123.1513 51.8954 18.8090 177.8273 95 S 4.1576 8.6073 117.0605 60.8261 63.3968 175.0219 96 S 4.7929 7.2096 115.8474 57.6905 61.9760 174.8188 97 Q 4.3582 7.8378 120.9489 56.4139 29.6819 176.4323 98 V 4.0047 8.4549 120.6201 60.4859 33.0695 176.6695 99 N 4.5786 8.6916 123.2961 52.2455 37.3472 173.9767 100 V 4.5014 7.5485 121.6501 58.8703 34.1861 177.3298 101 E 4.2246 8.6334 120.9435 54.9449 27.6274 175.3572 102 G 3.6040 8.2665 114.5242 46.3429 0.0000 168.8409 *114 P 4.2030 0.0000 0.0000 62.7888 32.6555 175.1771 115 H 4.4805 7.8856 113.4433 54.5809 30.4208 173.4288 116 P 3.8494 0.0000 0.0000 65.5155 31.4243 177.7961 117 L 4.6632 7.6902 116.5402 54.8117 41.8225 178.3768 118 M 3.9427 7.4849 118.4940 57.4021 31.4212 176.9156 119 F 4.9152 7.7066 117.2967 57.5935 39.5684 177.1010 120 Q 3.9944 7.9483 121.3836 59.3190 28.4702 178.9805 121 K 3.9153 8.2178 118.3996 59.9402 32.1879 179.1622 122 L 4.1365 8.0319 118.2322 57.8108 41.6401 179.0571 123 Q 4.1572 8.7374 119.9738 59.5041 28.9614 178.0803 124 D 4.5497 8.7403 120.2222 57.5989 40.8709 178.9040 125 Q 4.1299 8.3735 118.4379 59.2661 28.8065 179.0438 126 I 3.9279 8.1732 120.8170 64.0234 37.0772 178.2080 127 F 3.9515 8.8264 122.0347 61.5779 39.2634 177.0764 128 N 4.4211 8.7063 115.9056 55.7371 38.1071 177.3554 129 L 4.0032 8.0711 122.1282 58.4374 42.2910 178.8428 130 M 4.2358 7.9331 119.8541 57.6697 31.6898 178.5338 131 K 3.3928 7.4546 118.2875 59.5730 32.3832 177.7998 132 Y 4.4715 7.5585 113.3960 59.5136 38.3327 174.9650 133 D 4.8576 8.0318 115.9103 55.3729 43.2304 177.7115 134 S 4.3819 8.0443 113.4037 61.7236 64.0353 175.7945 135 Y 4.2104 8.3338 123.2671 60.5356 38.1700 178.1734 136 S 3.8618 8.0561 112.6017 61.5000 62.9826 175.9731 137 R 4.0783 7.9047 120.7961 58.7041 29.8194 178.5208 138 F 2.8080 8.1929 121.1286 61.0798 39.0705 177.2939 139 L 2.7215 6.8978 115.8439 56.3067 41.3073 178.5562 140 K 4.2222 7.1156 116.3729 55.4538 32.8398 176.7674 141 S 4.5512 7.1913 117.7634 57.8801 64.4213 175.8407 142 D 4.3800 8.7766 123.1625 58.6097 39.6439 178.4113 143 L 4.3075 7.9999 119.1813 57.6325 41.6750 178.9004 144 F 4.1827 7.5830 118.1554 60.1272 39.8161 175.9656 145 L 4.3687 7.8247 121.5544 54.8079 41.8232 176.2440 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 24 L 8.04 4.23 0.00 1.59 1.62 0.92 0.25 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 25 K 7.74 3.86 0.00 1.78 1.81 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 26 S 7.58 3.83 0.00 3.73 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 27 T 6.99 2.93 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 28 A 7.28 4.00 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 29 K 7.96 4.16 0.00 2.07 1.97 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 30 W 7.80 4.64 0.00 3.81 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.97 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.15 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 33 S 7.56 4.60 0.00 4.11 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 34 L 7.58 3.00 0.00 0.35 0.95 -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.16 3.95 0.00 2.10 2.02 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 2.38 2.48 0.00 36 N 8.10 4.38 0.00 3.07 3.07 0.00 0.00 6.73 6.88 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 37 L 7.41 3.70 0.00 1.53 1.51 0.38 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.76 4.01 0.00 1.30 1.33 -0.45 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.89 4.43 0.00 2.03 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 2.42 2.53 0.00 40 D 7.66 4.68 0.00 2.86 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 41 P 0.00 4.27 0.00 2.34 2.33 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 42 E 8.51 4.10 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.80 0.00 43 G 8.66 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.72 3.54 2.21 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 0.89 0.00 0.00 0.96 0.00 0.00 45 K 7.97 3.87 0.00 1.89 1.98 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 46 R 7.88 4.09 0.00 2.03 2.31 0.00 3.56 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.09 0.00 47 F 8.06 3.62 0.00 2.50 2.86 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 48 R 8.32 3.68 0.00 2.03 1.92 0.00 3.43 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 49 E 7.91 3.92 0.00 2.23 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 0.00 2.36 2.48 0.00 50 F 8.02 4.36 0.00 3.42 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 51 L 7.95 3.70 0.00 1.52 1.42 0.23 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.03 3.64 0.00 1.82 1.67 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 53 K 7.30 3.74 0.00 1.81 1.65 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.35 7.81 54 E 7.28 4.45 0.00 1.63 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 2.07 1.84 0.00 55 F 7.21 3.81 0.00 3.13 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 56 S 7.86 5.05 0.00 3.94 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 57 E 8.35 3.85 0.00 1.94 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 2.33 2.24 0.00 58 E 8.36 4.20 0.00 2.44 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 2.44 2.43 0.00 59 N 7.99 4.45 0.00 2.82 2.96 0.00 0.00 6.71 7.83 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 60 V 7.65 3.74 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 0.94 0.00 0.00 1.00 0.00 0.00 61 L 7.95 4.01 0.00 2.11 2.03 1.02 1.05 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 62 F 8.27 2.75 0.00 1.95 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 63 W 8.05 3.57 0.00 3.59 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 64 L 8.54 3.97 0.00 1.86 1.74 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.94 3.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.31 3.91 0.00 2.46 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 67 E 7.26 3.70 0.00 1.79 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 1.47 1.47 0.00 68 D 8.04 4.43 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.29 4.13 0.00 3.24 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 70 K 7.93 3.79 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.66 7.81 71 K 7.60 4.05 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.55 7.81 72 M 7.03 4.25 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.31 4.30 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 74 D 7.85 4.41 0.00 2.71 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 75 K 8.76 3.83 0.00 1.92 1.85 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.12 7.81 76 T 8.08 4.06 4.36 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 1.22 0.00 0.00 77 Q 8.73 4.08 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 78 M 8.32 4.30 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.38 0.00 79 Q 8.14 4.10 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 80 E 8.03 4.01 0.00 2.14 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 2.33 2.19 0.00 81 K 8.01 4.05 0.00 2.14 2.33 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.74 7.81 82 A 8.71 3.95 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.05 3.90 0.00 2.20 1.95 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.33 7.81 84 E 8.43 4.01 0.00 2.25 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 2.34 2.38 0.00 85 I 8.33 3.95 1.70 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.48 0.00 0.00 86 Y 8.07 4.00 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.15 4.13 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.04 0.00 88 T 7.80 3.81 3.53 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 0.17 0.00 0.00 89 F 7.98 5.30 0.00 3.07 2.62 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 90 L 7.42 4.28 0.00 1.09 1.33 1.07 0.52 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 91 S 7.22 3.97 0.00 3.61 3.54 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 92 S 8.52 4.25 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.73 4.18 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 94 A 7.51 4.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.61 4.16 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.21 4.79 0.00 3.68 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 97 Q 7.84 4.36 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 98 V 8.45 4.00 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 0.60 0.00 0.00 0.40 0.00 0.00 99 N 8.69 4.58 0.00 2.67 2.75 0.00 0.00 6.86 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 0.00 100 V 7.55 4.50 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 0.80 0.00 0.00 1.04 0.00 0.00 101 E 8.63 4.22 0.00 2.15 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 2.43 2.34 0.00 102 G 8.27 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 P 0.00 4.20 0.00 2.13 2.12 0.00 3.74 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 1.95 2.10 0.00 115 H 7.89 4.48 0.00 3.21 3.30 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 3.85 0.00 1.98 2.15 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 117 L 7.69 4.66 0.00 1.76 1.65 0.91 0.86 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 0.00 118 M 7.48 3.94 0.00 1.61 1.82 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 119 F 7.71 4.92 0.00 3.04 3.03 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 0.00 120 Q 7.95 3.99 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 121 K 8.22 3.92 0.00 1.87 1.97 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.62 7.81 122 L 8.03 4.14 0.00 2.15 1.93 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.74 4.16 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.39 1.95 0.00 124 D 8.74 4.55 0.00 2.94 2.82 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 0.00 125 Q 8.37 4.13 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 126 I 8.17 3.93 2.28 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 1.81 1.35 1.14 0.00 0.00 127 F 8.83 3.95 0.00 3.47 3.41 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 0.00 128 N 8.71 4.42 0.00 3.08 3.11 0.00 0.00 6.72 6.26 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 0.00 129 L 8.07 4.00 0.00 1.98 1.92 0.97 0.89 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 0.00 130 M 7.93 4.24 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.44 0.00 131 K 7.45 3.39 0.00 0.91 1.52 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.38 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.89 7.81 132 Y 7.56 4.47 0.00 3.04 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 0.00 133 D 8.03 4.86 0.00 2.89 2.65 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 0.00 134 S 8.04 4.38 0.00 4.36 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 0.00 135 Y 8.33 4.21 0.00 2.83 3.18 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 0.00 136 S 8.06 3.86 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.90 4.08 0.00 2.26 2.29 0.00 3.56 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 138 F 8.19 2.81 0.00 2.79 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 0.00 139 L 6.90 2.72 0.00 1.13 0.99 0.27 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.12 4.22 0.00 2.07 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.30 7.81 141 S 7.19 4.55 0.00 4.15 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 0.00 142 D 8.78 4.38 0.00 2.80 2.62 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 0.00 143 L 8.00 4.31 0.00 1.74 2.05 1.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.58 4.18 0.00 2.42 2.87 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 0.00 145 L 7.82 4.37 0.00 1.84 1.56 1.20 0.80 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 * Residues marked with a * may have inaccurate shift predictions.