NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.6072 8.2033 120.8331 58.7732 33.7905 173.5846 13 N 5.8161 7.2572 114.6065 50.9896 43.0623 170.9130 14 G 4.5503 8.9229 105.3364 44.5281 0.0000 171.3622 15 Y 5.4041 8.0768 118.2767 55.2051 42.5289 175.1479 16 V 4.7709 8.6544 118.9617 61.3866 34.9824 174.0478 17 I 4.6581 8.7387 129.6357 60.5345 38.5109 174.6163 18 D 4.9885 8.5357 125.9165 52.8569 45.3941 174.4297 19 H 4.2048 8.6332 115.6471 56.8909 26.1597 175.3817 20 I 4.0333 7.3882 120.7748 59.8664 37.7604 174.4279 21 P 4.5818 0.0000 0.0000 62.3207 31.7085 175.8609 22 S 4.4417 8.5807 115.2934 60.3703 62.9487 175.1538 23 G 4.0221 9.1432 110.4164 46.4085 0.0000 174.3899 24 Q 4.6353 7.9094 117.5806 55.9737 29.3758 177.6744 25 G 3.7215 8.2703 108.0477 47.8894 0.0000 176.1667 26 V 4.0619 8.2170 122.0718 64.2873 30.9852 178.4677 27 K 4.0053 8.0912 118.6137 59.3176 31.9328 179.1246 28 I 4.0162 7.9551 120.0860 64.4495 36.6298 178.3035 29 L 4.1511 8.7115 122.5899 58.7270 41.5005 180.2454 30 K 4.0677 8.3646 123.6117 59.8537 31.5358 180.9547 31 L 4.0609 8.1989 120.2112 56.3140 41.4433 178.1940 32 F 4.6310 7.6648 118.3362 58.0064 40.3875 176.6510 33 S 3.7671 8.0919 115.9835 59.2833 59.5015 177.1870 34 L 4.2528 7.6840 124.2328 57.8162 41.9110 178.9449 35 T 4.3909 7.8580 106.9394 61.6676 69.0908 174.0128 36 D 4.8311 7.7566 121.4168 54.7458 41.2814 175.8379 37 T 4.7371 7.5831 115.0194 61.8423 72.8814 175.9442 38 K 3.6231 8.7914 124.4677 57.5334 31.7494 178.5725 39 Q 4.1032 7.2339 115.0663 56.9120 29.3674 176.9754 40 R 4.1943 8.4076 120.4636 56.2351 31.4818 175.6499 41 V 4.7814 8.2647 122.3817 61.4362 34.5415 174.4234 42 T 4.7237 8.9575 124.4108 61.8741 71.5697 173.5633 43 V 4.5613 8.2120 124.3214 61.4282 34.8173 173.7134 44 G 4.0998 8.4330 114.7842 44.4276 0.0000 172.1001 45 F 5.2477 8.6956 122.6853 55.8224 41.6081 175.1194 46 N 4.1754 8.9101 117.9878 54.3753 35.8703 174.3746 47 L 4.6514 8.6172 118.2221 52.3462 44.4694 176.2522 48 P 4.3697 0.0000 0.0000 63.4177 29.9702 176.7400 *55 K 4.3765 7.5459 121.9723 55.2002 34.0486 177.2500 56 D 5.3293 9.3381 123.6581 51.7897 44.9247 174.9656 57 L 4.9322 8.5234 122.2179 53.5559 45.9170 175.0310 58 I 4.9595 9.0496 126.4322 59.4136 41.0969 174.5663 59 K 4.9686 8.9233 124.8502 54.6915 35.8305 175.7378 60 V 4.6962 8.3160 117.2306 59.3810 35.6723 174.4028 61 E 4.5064 8.7259 124.8718 55.9807 31.2824 175.6298 62 N 4.3232 8.3930 120.9164 54.0881 37.5068 173.9816 63 T 4.5790 7.5852 116.8656 62.3697 71.0244 174.9464 64 E 4.8323 8.5359 121.6952 55.2415 31.3720 173.6071 65 I 4.2134 7.5148 111.8725 62.0472 40.7545 174.1045 66 T 4.1039 8.8481 127.6347 63.4735 69.1467 176.3854 67 K 3.6126 8.4319 124.6190 57.8245 31.3321 178.9128 68 S 4.0717 7.5662 115.0589 60.6975 63.1897 176.6296 69 Q 3.7556 7.9938 118.3651 59.3552 29.5284 180.1559 70 A 3.6176 8.0277 119.5471 55.3588 18.3621 179.1825 71 N 4.2327 8.0012 114.9509 56.6870 38.6781 177.1993 72 Q 4.0856 7.5372 119.0697 59.4392 28.8138 179.5690 73 L 4.0161 8.2909 119.4062 57.4089 41.2097 179.1787 74 A 3.9942 7.9816 121.1043 55.6110 17.9957 179.5663 75 L 3.9883 7.4885 114.5738 57.7632 41.7685 179.1064 76 L 4.6709 8.2577 117.4284 55.2750 43.0530 177.0524 77 A 4.6650 7.4819 121.2089 50.0362 19.2061 174.0745 78 P 4.7857 0.0000 0.0000 62.8757 32.0346 177.2116 79 N 5.0133 7.7104 116.0940 53.0041 39.5205 173.8064 80 A 4.5814 7.8968 121.8042 52.2797 20.6134 178.4134 81 T 4.5072 8.8271 117.6347 60.5833 70.0526 171.1120 82 I 4.8586 8.4850 129.0055 59.1716 39.2558 174.8968 83 N 5.4117 9.0449 123.6763 51.5011 42.1960 173.5159 84 I 4.6994 8.1055 123.6168 59.9707 39.5303 174.7319 85 I 4.6540 9.0537 129.5804 59.7367 38.8557 174.6690 86 E 4.2605 8.8177 129.5367 54.5358 30.9878 175.0023 87 N 4.0168 8.7499 126.4521 55.5973 35.1475 174.0016 *88 F 3.6868 8.9498 118.8189 58.6765 39.0414 175.5718 89 K 4.5885 7.6980 118.5883 51.8468 35.3428 178.9216 90 V 4.0982 8.5573 124.3684 62.7724 31.7446 175.3818 91 T 4.6126 8.8851 116.8902 60.7707 69.6122 172.7796 92 D 4.3276 7.5665 120.5129 54.6225 44.7115 175.3942 93 K 5.2741 8.3112 120.9348 54.8689 34.4985 175.0101 94 H 4.5418 8.3447 122.2632 55.4740 30.3221 174.2112 95 S 5.0508 8.4504 118.7642 56.3388 64.7169 173.8884 96 L 4.1742 7.9652 125.4603 55.5216 41.6405 177.4086 97 T 4.3511 8.4353 121.1550 61.9172 69.7801 174.6422 98 L 4.0294 8.2768 126.6078 54.5062 42.5232 175.3830 99 P 4.7058 0.0000 0.0000 61.5741 33.4528 175.8036 100 N 4.5774 8.7312 114.8820 55.8140 37.8832 174.7231 101 E 5.3336 7.9898 115.8886 54.1834 34.6776 175.1501 102 V 4.5841 9.0675 122.0187 62.2264 34.0254 174.6165 103 E 4.7974 8.8937 126.1266 55.4329 31.9230 174.9691 104 N 4.1500 7.7189 117.6669 55.4302 36.0645 174.1161 105 V 3.6962 7.2467 119.8690 64.4352 33.6576 174.9336 106 F 4.9093 7.7430 118.2076 54.9078 40.9618 174.1317 107 P 4.6665 0.0000 0.0000 62.1893 31.0116 175.4316 108 C 4.6333 8.6483 120.0400 58.5569 31.7922 172.7758 109 P 4.1658 0.0000 0.0000 64.9733 31.1563 175.9999 110 N 4.5657 7.5466 117.7554 53.4972 38.6853 175.6434 111 S 4.2271 8.7179 121.4274 60.7355 63.4900 174.5495 112 N 4.5875 8.7455 118.3019 53.9470 39.1486 174.5912 113 C 4.2221 7.9228 119.0507 59.9267 31.8299 174.1514 114 I 3.7051 8.4292 126.2928 63.7978 38.1200 177.6916 115 T 3.6268 7.3712 116.7740 66.5344 68.1327 175.8717 116 H 4.3733 7.3423 117.8362 58.5803 28.9953 176.3326 117 G 3.9749 7.9059 106.2181 45.6365 0.0000 172.7133 118 E 4.6551 7.2730 117.7212 53.5082 32.3430 175.0683 119 P 4.5968 0.0000 0.0000 62.6213 30.0612 175.5461 120 V 4.5094 6.9456 110.9129 60.2674 35.7558 175.6112 121 T 4.5589 8.2474 118.3321 62.3793 69.3943 175.3637 122 S 4.3099 8.6159 120.6481 59.0289 64.8954 173.2323 123 S 4.7468 7.6232 113.7365 57.6727 65.8384 173.2262 124 F 5.5827 8.9509 125.6588 55.7629 42.5761 174.4627 125 S 5.0796 9.0967 118.2869 57.5088 65.3809 173.3752 126 I 4.8132 8.2612 124.7737 61.3833 38.7093 175.7786 127 K 4.0172 9.6703 134.7684 55.7451 29.8165 176.0491 *132 N 4.8978 9.1346 111.9438 53.6382 39.7770 175.8246 133 I 4.6058 8.3705 123.8180 58.5670 40.5002 174.5922 134 G 4.3853 9.1822 115.0071 44.2679 0.0000 171.6713 135 L 5.0262 8.9552 127.2485 53.9407 43.1330 175.7248 136 K 5.0398 9.2299 126.6239 54.6037 34.7372 174.6789 137 C 4.5784 9.3693 128.9751 59.2115 31.8591 173.4448 138 K 3.2624 8.5672 129.1600 60.5449 31.5833 176.8704 139 Y 4.1206 8.1251 116.7693 60.1331 38.4643 175.8236 140 C 4.2680 8.2072 117.7575 59.3511 30.8061 175.2687 141 E 3.8600 8.2888 118.6796 56.8965 27.3397 174.0869 142 K 4.3142 7.5339 118.4510 56.1187 33.6764 175.8646 143 T 5.0781 8.0383 119.9278 62.0516 70.4674 173.9810 144 F 4.9885 9.4863 123.5857 55.3360 43.5695 174.9628 145 S 4.5471 8.9607 119.9361 59.0575 63.6843 176.1168 146 K 3.8120 8.8109 130.2914 60.4171 31.4267 177.9760 147 D 4.4364 8.0306 119.6927 57.0536 40.4871 178.9375 148 I 3.6516 7.5377 119.7502 64.3174 37.1882 178.3617 149 V 3.4153 7.3373 117.4135 65.8654 31.4593 177.6301 150 T 3.3688 7.8378 114.8279 66.5112 68.4497 174.0024 151 E 4.1679 7.7766 122.9303 56.5922 29.5801 176.6257 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 12 C 8.20 4.61 0.00 2.96 2.97 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 N 7.26 5.82 0.00 2.79 2.62 0.00 0.00 7.76 6.71 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 14 G 8.92 4.55 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 15 Y 8.08 5.40 0.00 3.15 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 16 V 8.65 4.77 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 0.99 0.00 0.00 0.90 0.00 0.00 17 I 8.74 4.66 1.92 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 1.19 0.67 0.93 0.00 0.00 18 D 8.54 4.99 0.00 2.78 2.64 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 19 H 8.63 4.20 0.00 3.40 3.42 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.39 4.03 1.95 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 0.76 0.97 0.00 0.00 21 P 0.00 4.58 0.00 2.25 2.21 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 22 S 8.58 4.44 0.00 4.20 3.98 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 23 G 9.14 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 24 Q 7.91 4.64 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 25 G 8.27 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 26 V 8.22 4.06 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 0.83 0.00 0.00 0.90 0.00 0.00 27 K 8.09 4.01 0.00 2.21 1.97 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.10 7.81 28 I 7.96 4.02 2.13 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 1.52 1.43 1.02 0.00 0.00 29 L 8.71 4.15 0.00 1.91 1.82 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.36 4.07 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 L 8.20 4.06 0.00 1.36 0.76 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.66 4.63 0.00 3.09 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 33 S 8.09 3.77 0.00 3.75 4.01 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 34 L 7.68 4.25 0.00 1.76 1.83 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.86 4.39 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 1.25 0.00 0.00 36 D 7.76 4.83 0.00 2.86 2.71 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 37 T 7.58 4.74 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 38 K 8.79 3.62 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.06 7.81 39 Q 7.23 4.10 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 40 R 8.41 4.19 0.00 1.92 1.82 0.00 3.05 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 41 V 8.26 4.78 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 0.84 0.00 0.00 0.94 0.00 0.00 42 T 8.96 4.72 4.18 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 1.15 0.00 0.00 43 V 8.21 4.56 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 -0.26 0.00 0.00 0.87 0.00 0.00 44 G 8.43 4.10 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 0.00 0.00 0.00 45 F 8.70 5.25 0.00 2.93 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 46 N 8.91 4.18 0.00 2.93 2.91 0.00 0.00 6.89 8.70 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 47 L 8.62 4.65 0.00 1.50 1.56 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.37 0.00 2.03 2.05 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *55 K 7.55 4.38 0.00 1.47 1.73 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 56 D 9.34 5.33 0.00 2.65 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 57 L 8.52 4.93 0.00 1.62 1.31 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.05 4.96 1.87 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 1.11 0.59 0.87 0.00 0.00 59 K 8.92 4.97 0.00 1.66 1.56 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.26 7.81 60 V 8.32 4.70 1.81 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 0.46 0.00 0.00 0.03 0.00 0.00 61 E 8.73 4.51 0.00 2.19 1.75 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 2.23 2.24 0.00 62 N 8.39 4.32 0.00 2.86 2.85 0.00 0.00 6.77 7.70 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 63 T 7.59 4.58 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 1.34 0.00 0.00 64 E 8.54 4.83 0.00 1.98 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 2.20 1.86 0.00 65 I 7.51 4.21 1.15 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.84 0.41 0.00 0.00 66 T 8.85 4.10 4.30 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 1.17 0.00 0.00 67 K 8.43 3.61 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 68 S 7.57 4.07 0.00 3.83 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 69 Q 7.99 3.76 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 70 A 8.03 3.62 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 71 N 8.00 4.23 0.00 2.86 3.00 0.00 0.00 7.07 8.04 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 72 Q 7.54 4.09 0.00 1.87 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 73 L 8.29 4.02 0.00 1.58 1.65 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.98 3.99 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 75 L 7.49 3.99 0.00 2.02 1.87 1.08 1.02 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 76 L 8.26 4.67 0.00 1.87 1.87 1.16 1.11 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 77 A 7.48 4.66 1.26 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 0.00 0.00 0.00 78 P 0.00 4.79 0.00 2.20 2.28 0.00 3.35 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 79 N 7.71 5.01 0.00 2.68 2.79 0.00 0.00 6.95 7.35 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 80 A 7.90 4.58 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 81 T 8.83 4.51 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 1.21 0.00 0.00 82 I 8.48 4.86 1.89 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 0.95 0.90 0.00 0.00 83 N 9.04 5.41 0.00 2.64 2.68 0.00 0.00 6.57 6.89 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 84 I 8.11 4.70 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 1.02 0.94 0.00 0.00 85 I 9.05 4.65 1.87 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 1.11 1.04 0.98 0.00 0.00 86 E 8.82 4.26 0.00 2.20 1.84 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 2.20 2.12 0.00 87 N 8.75 4.02 0.00 2.95 2.83 0.00 0.00 6.89 8.13 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 *88 F 8.95 3.69 0.00 2.55 2.27 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 89 K 7.70 4.59 0.00 1.62 1.58 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.23 7.81 90 V 8.56 4.10 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 1.01 0.00 0.00 0.93 0.00 0.00 91 T 8.89 4.61 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 1.28 0.00 0.00 92 D 7.57 4.33 0.00 2.73 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 93 K 8.31 5.27 0.00 1.59 1.66 0.00 1.84 0.00 0.00 2.35 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.28 7.81 94 H 8.34 4.54 0.00 3.12 3.17 0.00 5.78 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 95 S 8.45 5.05 0.00 3.72 3.77 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 96 L 7.97 4.17 0.00 1.38 1.62 0.99 0.83 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 97 T 8.44 4.35 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 1.21 0.00 0.00 98 L 8.28 4.03 0.00 1.59 1.59 0.94 0.95 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 99 P 0.00 4.71 0.00 2.38 2.09 0.00 3.86 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 2.03 2.01 0.00 100 N 8.73 4.58 0.00 2.84 3.13 0.00 0.00 5.68 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 0.00 101 E 7.99 5.33 0.00 1.85 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 2.33 0.00 102 V 9.07 4.58 2.41 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 1.27 0.00 0.00 1.11 0.00 0.00 103 E 8.89 4.80 0.00 1.53 1.79 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 2.19 2.12 0.00 104 N 7.72 4.15 0.00 2.89 3.26 0.00 0.00 6.73 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 0.00 105 V 7.25 3.70 1.90 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 -0.39 0.00 0.00 0.78 0.00 0.00 106 F 7.74 4.91 0.00 3.01 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 0.00 107 P 0.00 4.67 0.00 2.28 2.12 0.00 3.97 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 108 C 8.65 4.63 0.00 3.06 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 0.00 109 P 0.00 4.17 0.00 0.98 1.69 0.00 3.05 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 110 N 7.55 4.57 0.00 3.36 2.95 0.00 0.00 6.80 7.25 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 0.00 111 S 8.72 4.23 0.00 4.03 3.98 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 0.00 112 N 8.75 4.59 0.00 2.68 3.02 0.00 0.00 7.12 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 0.00 113 C 7.92 4.22 0.00 3.05 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 0.00 114 I 8.43 3.71 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.79 0.00 0.00 115 T 7.37 3.63 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 0.95 0.00 0.00 116 H 7.34 4.37 0.00 3.18 3.29 0.00 5.67 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 0.00 117 G 7.91 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 0.00 0.00 0.00 118 E 7.27 4.66 0.00 1.88 1.75 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 2.18 2.44 0.00 119 P 0.00 4.60 0.00 2.16 2.08 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 120 V 6.95 4.51 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 0.71 0.00 0.00 0.48 0.00 0.00 121 T 8.25 4.56 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 1.27 0.00 0.00 122 S 8.62 4.31 0.00 3.91 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 0.00 123 S 7.62 4.75 0.00 3.87 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 0.00 124 F 8.95 5.58 0.00 3.08 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 0.00 125 S 9.10 5.08 0.00 3.94 4.01 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 0.00 126 I 8.26 4.81 2.21 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 1.14 0.76 0.97 0.00 0.00 127 K 9.67 4.02 0.00 1.62 1.23 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.24 7.81 *132 N 9.13 4.90 0.00 2.53 2.69 0.00 0.00 6.37 7.72 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 0.00 133 I 8.37 4.61 1.86 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 1.28 0.77 0.90 0.00 0.00 134 G 9.18 4.39 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 0.00 135 L 8.96 5.03 0.00 1.52 1.60 0.49 0.85 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 0.00 136 K 9.23 5.04 0.00 1.83 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.40 7.81 137 C 9.37 4.58 0.00 3.38 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 0.00 138 K 8.57 3.26 0.00 1.64 1.66 0.00 1.63 0.00 0.00 1.23 0.00 0.00 2.32 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.83 1.19 7.81 139 Y 8.13 4.12 0.00 3.01 2.81 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 0.00 140 C 8.21 4.27 0.00 3.19 3.27 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 0.00 141 E 8.29 3.86 0.00 2.18 2.13 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 2.22 2.26 0.00 142 K 7.53 4.31 0.00 1.72 1.33 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.62 7.81 143 T 8.04 5.08 4.13 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 1.24 0.00 0.00 144 F 9.49 4.99 0.00 2.83 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 S 8.96 4.55 0.00 3.90 3.78 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 0.00 0.00 0.00 146 K 8.81 3.81 0.00 1.77 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.40 7.81 147 D 8.03 4.44 0.00 2.72 2.71 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 0.00 148 I 7.54 3.65 1.95 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 1.55 0.85 0.90 0.00 0.00 149 V 7.34 3.42 1.65 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 0.10 0.00 0.00 0.52 0.00 0.00 150 T 7.84 3.37 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 1.17 0.00 0.00 151 E 7.78 4.17 0.00 1.95 1.84 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 2.33 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.