NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7320 8.3829 118.1019 53.5935 41.4620 177.0615 3 V 3.4656 7.5361 117.7949 65.1875 31.7699 178.3482 4 N 4.3942 8.8382 117.7636 56.8634 39.1446 175.9596 5 F 4.7059 7.7759 116.4056 59.8242 39.4298 177.3697 6 I 4.4985 7.8133 118.9955 63.6954 37.2763 177.8519 7 N 4.3986 8.4505 117.6086 55.8326 38.2528 175.3315 8 P 4.1755 0.0000 0.0000 65.7152 31.3531 178.5772 9 F 4.0901 7.8672 116.3479 60.5016 38.8367 177.7501 10 L 4.0277 8.0127 118.1514 57.9357 41.4449 179.2676 11 Q 3.9514 8.5467 119.9685 59.0620 28.9986 178.0940 12 S 4.0320 8.3948 114.7427 61.0499 62.3872 175.8822 13 L 3.8700 8.0188 123.0462 58.1092 41.7982 178.7080 14 L 3.7940 7.6952 118.8863 57.9281 41.3397 179.1361 15 N 4.2387 8.1113 115.2116 56.5891 38.5440 177.1746 16 V 3.7237 7.8247 119.5110 65.9046 31.3911 177.7041 17 I 3.7557 7.6973 111.2854 62.7975 37.8390 177.8160 18 S 4.2843 8.1612 116.3627 60.9045 62.9691 176.5368 19 T 4.0757 7.2056 114.5090 61.5534 68.7048 175.2128 *21 A 4.3403 8.0361 125.7529 53.3161 20.9487 179.3858 22 S 4.1344 8.4632 109.6795 61.7089 62.2698 175.8265 23 L 4.2106 8.1728 120.1712 56.5595 42.0370 177.4257 24 E 3.7995 7.7127 113.3735 56.6407 26.8144 177.4434 25 L 4.8419 7.6644 120.0798 54.1535 43.7707 177.7691 26 T 4.6405 9.2318 121.9824 61.1003 70.2199 172.3818 27 P 4.8367 0.0000 0.0000 62.7940 32.5538 176.8019 28 G 4.0387 8.8524 110.1948 45.0907 0.0000 172.3067 29 K 4.4318 8.4140 120.9424 54.6179 32.9219 174.9260 30 P 4.7523 0.0000 0.0000 63.2359 32.0722 175.4993 31 Q 4.6740 8.9720 120.7649 54.2536 34.0420 174.0502 32 I 4.2828 8.2326 122.0329 61.2704 37.7590 176.0143 33 K 4.2423 8.7956 129.8941 55.9897 32.7148 176.9835 34 T 4.7118 8.0792 119.1170 60.6140 69.1383 172.4925 35 D 4.4428 7.8900 122.2200 55.2370 41.8524 174.9523 36 N 4.9444 8.5159 117.1243 52.4968 38.2747 173.2140 37 L 4.1524 8.4456 121.5205 56.4357 41.6154 179.5239 38 A 3.5113 7.4596 117.9301 51.8800 16.9325 176.7951 39 K 4.6363 8.0411 119.4845 55.8636 35.0344 175.7933 40 G 4.1608 8.4654 108.2665 46.2567 0.0000 172.4968 41 D 5.5256 9.5136 117.6952 53.6813 43.8482 177.2462 42 V 5.2324 7.7067 117.2124 60.3847 34.5356 174.2293 43 S 5.2945 9.4603 119.0538 56.9217 67.6192 172.9156 44 G 4.7517 9.1677 110.5695 43.9956 0.0000 172.5559 45 L 5.4779 8.3426 122.9628 53.0325 46.2543 175.2623 46 I 4.6524 8.8539 121.9383 60.0335 41.9732 174.6305 47 G 4.3594 8.3739 115.8787 43.8219 0.0000 172.4917 *49 V 4.0947 8.1655 117.9060 62.7870 32.6070 175.3214 50 G 2.8865 8.8735 115.0305 42.7592 0.0000 168.9562 51 P 4.0694 0.0000 0.0000 63.7460 30.8531 175.4072 52 Q 3.5202 8.7801 121.1248 56.4520 26.5567 173.0787 53 T 5.0972 7.5387 111.0419 61.0631 71.5316 172.2914 54 K 4.9745 8.5685 122.8244 56.1274 36.5250 175.8834 55 G 3.8036 8.3017 105.0839 47.0720 0.0000 171.9533 56 S 4.9627 7.6414 113.2498 57.1702 66.8460 173.2171 57 L 5.2195 8.8040 122.7908 53.5932 45.7546 175.0787 58 S 5.2382 9.1420 118.7797 56.8081 67.1422 172.7502 59 I 5.0063 9.0085 122.3233 59.9982 40.4499 174.3912 60 T 5.1394 8.7901 123.9353 60.8496 71.4279 173.3647 61 F 5.1954 9.2047 124.0769 55.4453 43.1136 174.6005 62 E 4.4955 9.0076 121.9090 56.2940 30.4017 177.6726 63 Q 3.9269 9.7600 125.0438 59.6708 29.0798 179.4492 64 K 3.9743 8.0848 119.7414 59.2772 32.1398 178.4001 65 L 4.0339 7.8836 120.5303 58.0853 42.0149 179.0712 66 V 3.3265 7.5613 117.8992 64.7558 31.2537 178.0326 67 L 4.0439 7.7885 118.8558 57.5145 41.7463 178.9138 68 Q 3.9429 7.8552 119.1994 58.7250 28.5769 178.6538 69 I 3.6399 7.3833 117.8219 61.8005 37.3129 176.7322 *71 Q 4.4023 8.0326 122.7005 56.4851 30.3787 176.7472 72 N 4.2890 7.9288 110.0860 54.4670 37.1965 175.8838 *74 L 4.1058 7.8974 118.2164 53.5931 43.4168 178.2874 75 G 3.8269 9.0647 106.9383 45.4448 0.0000 172.9197 76 E 4.7581 7.4678 116.4909 55.0044 32.7549 174.0804 77 N 4.9020 8.1103 115.3464 51.2526 39.2928 172.7770 78 P 4.3521 0.0000 0.0000 62.9668 31.9780 177.3725 79 G 3.9090 9.0586 107.2832 45.5618 0.0000 173.2266 80 K 4.2128 7.0013 116.4861 55.8523 35.2744 175.1546 81 I 3.9870 8.3450 121.4499 60.8541 36.8145 174.7151 82 N 5.1858 8.1595 123.9236 50.2617 40.3577 174.3090 83 E 3.9923 8.6739 118.1182 59.0617 29.4100 178.7666 84 E 3.9274 8.2560 118.1226 59.5110 29.5370 179.4447 85 V 3.5352 8.0317 118.2759 66.2042 31.2234 178.1895 86 T 3.8779 8.0481 109.6011 64.7552 68.5453 176.1455 87 D 4.3893 8.4107 122.0792 57.1959 40.8138 178.5684 88 L 3.9442 7.8797 120.7358 58.0916 42.0057 179.0857 89 V 3.6808 8.0614 118.5093 65.9747 31.4526 178.2442 90 G 3.6398 8.2910 105.4838 47.8390 0.0000 175.6151 91 E 4.0399 8.1100 120.0413 59.2518 29.5964 179.0755 92 I 3.9056 7.9295 119.2071 64.6446 37.5589 178.2965 93 T 4.1829 8.2542 116.7217 66.6001 68.2696 177.3373 94 N 4.5799 8.1360 115.8556 53.6945 38.4589 177.2300 *96 V 4.3402 8.0075 121.2846 63.3206 33.4377 177.6689 97 T 4.3006 8.2221 110.6310 64.6376 68.5870 176.8308 98 G 3.7153 8.6368 109.1969 47.4937 0.0000 175.8352 99 G 3.5726 8.0748 107.7683 47.4821 0.0000 175.3822 100 A 3.6770 7.7247 123.4920 54.4045 18.1285 179.5349 101 K 3.8256 8.2589 118.5127 59.5929 32.1640 178.4953 102 N 4.2638 8.1014 117.2066 56.6762 38.9512 176.8217 103 L 3.9432 7.8281 120.2487 57.8823 41.6555 179.5490 104 L 4.2103 8.3527 119.4341 57.7609 41.5308 179.8184 105 G 3.6555 8.4046 105.8430 47.8137 0.0000 175.5470 106 Q 4.0227 8.1255 119.7505 58.8907 28.9376 178.9224 107 K 4.3017 7.6489 115.9323 57.0601 32.2967 177.9016 108 G 3.7932 7.8906 107.9285 45.0460 0.0000 172.7921 109 Y 4.6327 8.0885 117.3234 55.8777 39.6924 175.1432 110 E 4.4614 8.7233 125.3244 55.4164 30.3732 175.2783 111 F 4.7599 8.8206 122.2506 55.7717 42.1498 174.4638 112 E 4.7500 8.9878 122.0909 54.6908 32.6260 174.0513 *114 A 4.4225 8.1167 119.8469 52.7207 20.0939 176.1717 115 T 4.5929 8.4172 103.8378 59.3979 71.3221 173.7715 116 P 5.1864 0.0000 0.0000 61.7538 33.1342 174.7621 *118 V 4.0964 8.0515 116.8897 63.4133 32.4314 175.7883 119 V 4.2094 8.5833 128.0152 61.7865 33.1651 174.5081 120 S 5.1348 8.8158 123.5227 56.1799 65.3233 173.8548 121 G 4.4285 8.3760 115.3162 45.7012 0.0000 171.8365 122 Q 4.2993 8.9346 126.8108 56.4937 29.7717 175.9983 123 G 3.9504 8.9107 115.6323 46.7633 0.0000 173.4263 124 H 4.6848 7.9499 114.5444 54.6129 29.8397 174.1261 125 T 4.8994 8.1349 109.3916 59.7968 71.5634 173.1039 126 I 4.3698 8.1788 123.1181 59.4800 39.4881 175.0216 127 S 4.5934 8.4995 119.4476 56.5838 63.6835 172.7978 128 H 4.4843 8.8059 125.6199 55.3408 29.2098 175.5311 129 K 4.3454 8.4726 121.9201 55.6304 33.0350 176.4176 130 A 4.1075 7.9524 121.7495 53.0598 18.7085 177.9108 131 N 4.6474 9.2169 122.3011 51.2865 36.9139 173.7462 132 G 4.4922 7.2101 107.4869 46.2065 0.0000 169.9959 133 T 4.3201 8.6804 116.8343 63.2764 69.3951 174.8412 134 K 4.3641 8.6411 125.5949 55.3393 33.9106 175.3559 135 I 4.8317 8.4554 126.4566 59.6393 39.9128 174.8778 136 I 5.6788 8.8249 126.8135 57.4630 42.1319 171.7760 *138 P 4.7120 0.0000 0.0000 62.7056 33.2598 175.5266 139 F 5.3325 8.4768 115.2204 55.7425 40.8276 173.4882 140 T 5.0965 8.8516 118.4702 60.4925 71.0795 172.4429 141 S 4.8247 8.2745 119.0476 57.3998 66.4269 175.5284 142 S 4.0731 8.6263 114.1302 61.1148 62.7324 174.9153 143 Y 4.2004 7.5678 117.1748 58.5762 38.2246 174.9754 144 G 3.9073 6.5481 105.8540 43.9735 0.0000 172.2608 145 T 4.7932 9.0120 115.7183 61.5974 72.1705 173.4576 146 A 4.5650 7.5339 124.0063 50.0660 23.2400 175.0199 147 F 5.0152 8.5775 116.8204 55.7975 43.8480 173.7364 148 I 4.9740 8.6541 122.9055 59.2394 40.5657 173.5360 149 E 5.1201 9.2740 129.8176 54.3765 33.0276 174.4992 150 V 4.5789 8.6772 125.5996 61.2226 35.3768 173.6668 151 C 5.1113 8.4737 126.9193 57.8794 35.2354 172.5307 152 F 5.4515 8.8925 123.6138 55.6095 43.0706 174.7895 153 E 4.5269 9.4764 121.9026 56.4767 29.8201 175.5347 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 N 8.38 4.73 0.00 2.74 2.86 0.00 0.00 7.13 6.79 0.00 0.00 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 V 7.54 3.47 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 0.79 0.00 0.00 0.93 0.00 0.00 4 N 8.84 4.39 0.00 2.52 2.50 0.00 0.00 6.98 7.02 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 5 F 7.78 4.71 0.00 2.87 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 4.50 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 1.00 0.00 0.00 7 N 8.45 4.40 0.00 2.86 2.89 0.00 0.00 6.92 7.60 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 8 P 0.00 4.18 0.00 1.67 1.87 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 9 F 7.87 4.09 0.00 3.19 3.08 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 10 L 8.01 4.03 0.00 1.87 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.55 3.95 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 12 S 8.39 4.03 0.00 3.87 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 13 L 8.02 3.87 0.00 1.77 1.66 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.70 3.79 0.00 1.87 1.65 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.11 4.24 0.00 2.84 2.87 0.00 0.00 7.03 7.43 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 16 V 7.82 3.72 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 1.07 0.00 0.00 0.96 0.00 0.00 17 I 7.70 3.76 1.86 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.61 0.78 0.00 0.00 18 S 8.16 4.28 0.00 4.00 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 19 T 7.21 4.08 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 1.29 0.00 0.00 *21 A 8.04 4.34 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 22 S 8.46 4.13 0.00 3.85 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 23 L 8.17 4.21 0.00 1.78 1.89 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.71 3.80 0.00 2.16 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 2.16 2.13 0.00 25 L 7.66 4.84 0.00 1.62 1.82 1.17 1.19 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 26 T 9.23 4.64 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 27 P 0.00 4.84 0.00 2.09 2.05 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 G 8.85 4.04 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 0.00 29 K 8.41 4.43 0.00 2.00 1.74 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.02 7.81 30 P 0.00 4.75 0.00 2.00 2.00 0.00 3.73 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 2.05 2.15 0.00 31 Q 8.97 4.67 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 32 I 8.23 4.28 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 1.23 0.47 0.91 0.00 0.00 33 K 8.80 4.24 0.00 1.72 1.68 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.33 7.81 34 T 8.08 4.71 4.23 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 1.20 0.00 0.00 35 D 7.89 4.44 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.94 0.00 2.73 2.69 0.00 0.00 6.47 7.79 0.00 0.00 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 8.45 4.15 0.00 1.62 1.61 0.92 0.70 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 38 A 7.46 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.04 4.64 0.00 1.62 1.69 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.55 7.81 40 G 8.47 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 41 D 9.51 5.53 0.00 2.62 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 42 V 7.71 5.23 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 0.93 0.00 0.00 1.06 0.00 0.00 43 S 9.46 5.29 0.00 3.85 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 44 G 9.17 4.75 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 0.00 0.00 0.00 45 L 8.34 5.48 0.00 1.60 1.49 0.94 0.54 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 46 I 8.85 4.65 1.90 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 1.20 1.26 0.93 0.00 0.00 47 G 8.37 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 0.00 0.00 0.00 0.00 *49 V 8.17 4.09 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 0.97 0.00 0.00 0.96 0.00 0.00 50 G 8.87 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 0.00 0.00 0.00 51 P 0.00 4.07 0.00 2.26 2.13 0.00 2.51 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 52 Q 8.78 3.52 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 53 T 7.54 5.10 4.29 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 0.00 0.00 0.00 0.85 0.00 0.00 54 K 8.57 4.97 0.00 1.89 1.88 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 55 G 8.30 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 56 S 7.64 4.96 0.00 3.78 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 57 L 8.80 5.22 0.00 1.29 1.32 0.78 0.74 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 58 S 9.14 5.24 0.00 3.90 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 59 I 9.01 5.01 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 1.28 0.88 0.64 0.00 0.00 60 T 8.79 5.14 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 1.25 0.00 0.00 61 F 9.20 5.20 0.00 2.96 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 62 E 9.01 4.50 0.00 1.94 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 2.37 2.41 0.00 63 Q 9.76 3.93 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 64 K 8.08 3.97 0.00 1.91 1.97 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.59 7.81 65 L 7.88 4.03 0.00 1.86 1.89 1.04 0.97 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 66 V 7.56 3.33 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 0.83 0.00 0.00 0.40 0.00 0.00 67 L 7.79 4.04 0.00 1.62 1.89 0.89 0.74 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 68 Q 7.86 3.94 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 69 I 7.38 3.64 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.82 0.00 0.00 *71 Q 8.03 4.40 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 72 N 7.93 4.29 0.00 2.85 2.79 0.00 0.00 7.08 7.15 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 *74 L 7.90 4.11 0.00 1.70 1.72 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.06 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 0.00 0.00 0.00 76 E 7.47 4.76 0.00 2.21 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 2.22 0.00 77 N 8.11 4.90 0.00 2.74 2.80 0.00 0.00 6.08 7.75 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 78 P 0.00 4.35 0.00 2.23 2.44 0.00 3.75 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 2.25 2.06 0.00 79 G 9.06 3.91 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 0.00 0.00 0.00 80 K 7.00 4.21 0.00 2.01 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.32 7.81 81 I 8.35 3.99 1.88 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 1.64 0.84 0.92 0.00 0.00 82 N 8.16 5.19 0.00 2.89 2.92 0.00 0.00 5.81 7.66 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 83 E 8.67 3.99 0.00 2.05 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 2.38 2.27 0.00 84 E 8.26 3.93 0.00 2.12 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 2.39 2.44 0.00 85 V 8.03 3.54 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 1.06 0.00 0.00 0.98 0.00 0.00 86 T 8.05 3.88 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 1.27 0.00 0.00 87 D 8.41 4.39 0.00 2.89 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 88 L 7.88 3.94 0.00 1.73 1.76 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.06 3.68 2.22 0.00 0.00 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 0.83 0.00 0.00 90 G 8.29 3.64 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 0.00 0.00 0.00 91 E 8.11 4.04 0.00 2.13 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 2.50 2.49 0.00 92 I 7.93 3.91 2.11 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 1.56 0.60 1.10 0.00 0.00 93 T 8.25 4.18 4.45 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 1.27 0.00 0.00 94 N 8.14 4.58 0.00 2.95 2.86 0.00 0.00 6.66 7.19 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 *96 V 8.01 4.34 2.17 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 1.43 0.00 0.00 1.02 0.00 0.00 97 T 8.22 4.30 4.45 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 1.42 0.00 0.00 98 G 8.64 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 99 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.68 0.40 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 0.00 101 K 8.26 3.83 0.00 1.94 2.04 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 102 N 8.10 4.26 0.00 2.88 2.93 0.00 0.00 7.25 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 0.00 103 L 7.83 3.94 0.00 1.77 1.64 0.83 0.46 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 0.00 104 L 8.35 4.21 0.00 1.67 1.97 0.24 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.40 3.66 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 0.00 0.00 0.00 106 Q 8.13 4.02 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 107 K 7.65 4.30 0.00 2.09 2.05 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.57 7.81 108 G 7.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.09 4.63 0.00 3.29 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 0.00 110 E 8.72 4.46 0.00 1.93 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 2.34 2.24 0.00 111 F 8.82 4.76 0.00 2.92 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 0.00 112 E 8.99 4.75 0.00 1.80 1.91 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 2.24 2.38 0.00 *114 A 8.12 4.42 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 0.00 115 T 8.42 4.59 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 0.00 116 P 0.00 5.19 0.00 2.23 2.18 0.00 3.42 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 *118 V 8.05 4.10 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 0.82 0.00 0.00 1.01 0.00 0.00 119 V 8.58 4.21 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 0.88 0.00 0.00 120 S 8.82 5.13 0.00 3.76 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 0.00 121 G 8.38 4.43 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 0.00 122 Q 8.93 4.30 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 123 G 8.91 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 0.00 0.00 0.00 124 H 7.95 4.68 0.00 3.33 3.45 0.00 5.21 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.13 4.90 4.17 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 1.14 0.00 0.00 126 I 8.18 4.37 1.88 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 1.33 0.97 0.83 0.00 0.00 127 S 8.50 4.59 0.00 3.76 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 0.00 128 H 8.81 4.48 0.00 3.11 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.47 4.35 0.00 1.71 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.33 7.81 130 A 7.95 4.11 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 0.00 131 N 9.22 4.65 0.00 2.99 2.86 0.00 0.00 6.99 7.63 0.00 0.00 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 G 7.21 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.68 4.32 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 1.22 0.00 0.00 134 K 8.64 4.36 0.00 1.72 1.77 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.47 7.81 135 I 8.46 4.83 1.87 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 1.13 1.10 0.93 0.00 0.00 136 I 8.82 5.68 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.84 0.91 0.00 0.00 *138 P 0.00 4.71 0.00 2.05 2.35 0.00 3.77 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 2.01 2.05 0.00 139 F 8.48 5.33 0.00 2.97 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 0.00 140 T 8.85 5.10 4.15 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 1.24 0.00 0.00 141 S 8.27 4.82 0.00 4.20 4.04 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 0.00 142 S 8.63 4.07 0.00 3.76 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 0.00 143 Y 7.57 4.20 0.00 3.01 3.06 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 0.00 144 G 6.55 3.91 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 0.00 0.00 0.00 145 T 9.01 4.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 146 A 7.53 4.56 -0.34 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 0.00 147 F 8.58 5.02 0.00 2.89 2.85 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 0.00 0.00 0.00 148 I 8.65 4.97 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.65 1.00 0.00 0.00 149 E 9.27 5.12 0.00 1.96 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 1.84 2.25 0.00 150 V 8.68 4.58 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 0.24 0.00 0.00 0.78 0.00 0.00 151 C 8.47 5.11 0.00 2.81 2.56 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 0.00 0.00 0.00 0.00 152 F 8.89 5.45 0.00 3.14 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 0.00 153 E 9.48 4.53 0.00 2.03 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 2.24 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.