NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3761 8.3344 115.4025 58.0161 63.9789 172.7987 2 L 4.0015 8.4039 122.9026 54.1088 43.7386 171.8475 3 Y 4.5725 9.3976 129.4318 58.5142 38.5750 167.6051 4 T 5.0972 9.4944 121.1970 62.0907 70.8902 173.6434 5 I 4.8069 8.9779 127.5376 59.3570 40.5013 174.3001 6 L 4.6759 8.7435 130.4424 54.0746 43.5104 175.2955 7 V 4.2709 8.8992 127.5705 61.3426 33.2726 174.5816 8 V 4.6114 8.5192 129.0662 61.4213 33.8711 173.6651 9 D 5.0283 8.3398 126.5083 53.2767 44.5471 175.7514 10 D 4.8399 8.6766 123.1710 54.0518 40.2813 176.2765 11 S 4.5452 8.5469 116.9748 56.4958 62.7650 174.0792 12 P 5.0136 0.0000 0.0000 62.7333 30.6721 178.5880 *14 I 4.1016 7.9450 120.6957 62.7009 39.3634 178.5058 15 V 3.6345 8.1156 119.4163 66.2152 31.2703 177.6109 16 D 4.3582 8.3519 117.7445 57.1613 40.7926 178.4161 17 V 3.5125 7.6411 117.6285 66.0283 31.7438 177.5312 18 F 4.0870 8.0785 116.2627 60.3421 38.9160 177.4165 19 V 3.8643 8.2337 118.2119 66.3639 31.4186 178.9974 20 T 3.9846 7.8157 112.0237 64.4900 68.4047 175.8844 *22 L 4.4525 7.8502 122.9476 55.0506 43.8557 179.0728 23 E 4.0633 8.6000 118.3352 59.6176 29.0937 179.6568 24 R 4.0792 7.9559 116.8244 58.5595 30.1419 178.2763 25 G 4.0559 7.9643 102.8235 43.7238 0.0000 174.1503 26 G 3.8462 8.0524 108.6915 46.1963 0.0000 173.4609 27 Y 4.7916 7.6801 115.8815 57.0242 39.2447 175.4288 28 R 4.5613 9.3063 123.9527 54.4335 31.2337 173.3004 29 P 5.3222 0.0000 0.0000 62.0074 32.8961 175.3286 30 I 4.8237 8.8432 116.0618 59.2799 41.0094 174.2300 31 T 5.0156 8.3548 112.3015 60.1633 71.8441 172.8641 32 A 4.7400 8.2610 123.1492 50.7625 22.8138 176.7796 33 F 5.2269 9.6544 117.6901 56.2920 40.0977 175.2741 34 S 4.6179 7.4740 115.3208 56.2200 66.6736 175.4866 35 G 3.7442 8.4671 110.4234 47.1988 0.0000 175.4805 36 E 3.9279 8.1557 121.2015 59.2778 29.5965 178.5066 37 E 3.9471 8.2740 119.2411 59.1063 29.6603 178.0087 38 C 3.9170 8.1789 118.9769 62.7264 31.6036 175.7478 39 L 3.9782 7.9154 120.2109 57.7167 41.1718 179.3348 40 E 3.9326 8.0326 118.0378 59.4605 29.4334 179.2639 41 A 4.0073 8.2316 120.9054 55.2111 18.1862 179.6735 42 L 3.9901 7.8305 116.5336 57.9415 41.7136 179.2721 43 N 4.4658 7.8325 114.9988 56.0452 38.5918 177.1218 44 A 4.3069 7.8589 121.2081 53.8823 20.1821 178.1366 45 T 4.5142 7.9063 106.3679 58.5387 68.4158 170.6815 46 P 4.2314 0.0000 0.0000 63.1287 32.0489 175.0348 47 P 4.7076 0.0000 0.0000 61.7552 32.8974 175.3684 48 D 4.6210 8.6861 117.9162 56.4403 41.3724 176.9136 49 L 4.5881 7.5343 118.1523 53.9344 45.7044 173.4925 50 V 4.7098 8.5895 124.4769 61.0363 34.6553 174.0720 51 L 4.9244 8.8938 127.8750 52.9876 43.5712 175.1529 52 L 4.7381 8.3530 126.7040 52.6418 44.4882 175.6377 53 D 4.4025 8.7113 127.5066 53.8056 42.4602 178.3462 54 I 3.6885 7.9687 129.5299 60.6493 36.2796 175.5938 *57 E 4.3459 7.9574 116.8131 55.6686 30.9726 173.7486 58 P 4.4328 0.0000 0.0000 62.5389 31.3722 174.7482 *60 D 4.5055 7.6762 118.5556 54.0143 42.1061 175.4941 61 G 3.6847 8.3605 106.8897 47.0856 0.0000 176.0614 62 W 4.3305 7.8370 120.7688 59.6763 29.1234 178.3646 63 E 4.1190 8.9665 118.8660 59.6400 28.8026 179.4007 64 T 3.8278 8.0990 115.9333 66.5806 68.4640 176.2331 65 L 3.9013 8.2081 122.4851 58.1400 42.0584 178.5849 66 E 3.9649 8.4300 119.1016 59.4988 29.6383 179.0645 67 R 3.9200 7.9929 117.9979 59.2240 29.8785 178.9852 68 I 3.6414 7.8053 118.9748 64.3060 37.2691 178.0814 69 K 4.0407 7.8032 116.4721 57.8213 32.1057 178.5663 70 T 4.3472 7.4465 115.5271 64.1869 69.3079 174.7685 71 D 4.3958 7.8030 122.0370 53.3349 41.3137 175.1160 72 P 4.2965 0.0000 0.0000 65.3275 31.5182 177.5609 73 A 4.1331 8.1813 121.3489 54.2155 18.6836 177.7450 74 T 4.5484 7.7967 104.2054 61.1455 70.2757 176.2680 75 R 3.9387 8.0498 118.3658 59.1658 29.3314 177.0387 76 D 4.5724 7.8939 115.6512 54.7165 41.3077 176.0055 77 I 4.1288 7.4698 122.1091 59.9903 37.5951 174.4086 78 P 4.4618 0.0000 0.0000 62.9096 32.7598 175.3378 79 V 4.6886 8.3068 120.8348 61.3935 34.6912 173.9413 80 L 5.2547 8.5371 128.8260 53.0673 45.4434 175.0255 *82 L 4.5686 8.3782 121.2521 55.9417 43.3456 176.3284 83 T 4.9931 8.8299 112.9618 59.9975 72.1960 174.5442 84 A 4.6496 8.7189 124.0583 52.5570 19.8933 177.1346 85 K 4.6686 7.1576 112.2562 54.3056 35.7374 174.3679 86 P 3.8631 0.0000 0.0000 62.2098 31.8373 176.6105 87 L 4.1313 6.7292 121.0314 54.6887 42.3280 178.1579 88 T 4.1122 8.8919 113.7380 60.9690 70.8050 173.8508 89 P 4.2362 0.0000 0.0000 65.9790 31.2530 178.7591 90 E 3.9223 8.0990 116.7043 59.4371 29.3902 179.1758 91 E 3.8365 8.2811 118.2525 59.3820 29.3475 179.2209 92 A 4.1046 7.9564 119.6022 55.2794 18.5582 178.8694 93 N 4.2987 8.2796 115.6102 56.7262 38.8666 176.5979 94 E 3.6296 8.1265 120.3679 59.0847 29.9690 177.7617 95 Y 4.3465 7.7780 114.4781 57.5860 37.8221 177.2937 96 G 3.9400 7.7461 109.8724 48.1354 0.0000 176.0308 97 S 4.3514 7.9587 113.3237 60.0587 63.6325 174.4934 98 Y 4.7336 8.1981 118.7650 58.8752 38.3641 175.5045 99 I 4.9217 7.2949 111.7087 59.0310 40.5643 175.1292 100 E 4.2280 8.9175 121.5417 58.4446 30.0769 175.7770 101 D 4.4604 7.0506 115.2956 54.1267 44.4681 173.2370 102 Y 4.9570 8.2406 116.2892 55.2749 41.5040 174.8250 103 I 4.5276 8.1163 120.0214 59.2492 40.7401 174.9107 104 L 4.7815 8.6848 127.2503 54.6468 42.1088 177.2588 105 K 4.5837 9.2010 124.1612 55.5235 32.8071 175.5191 106 P 4.4951 0.0000 0.0000 63.0562 32.2546 176.8347 107 T 4.4779 8.2194 108.7406 61.7525 69.5462 175.9819 108 T 3.8608 7.9480 119.8699 67.3828 68.3756 175.3835 109 H 4.1924 8.2286 116.3216 59.0343 28.3228 177.2250 110 H 4.0528 7.5551 118.5988 58.8374 28.5766 177.8748 111 Q 4.0371 7.9817 119.3409 58.5996 28.6187 178.2935 112 L 4.0065 8.4632 121.8045 58.5656 42.2416 178.7574 113 Y 4.1259 8.4938 116.8986 60.9318 37.7434 177.9834 114 E 3.9603 8.3284 119.9703 59.3866 29.6424 178.8179 115 A 4.0174 8.1935 120.7035 55.1790 18.3800 179.7671 116 I 3.6818 7.9051 118.2869 64.5621 37.1513 178.4649 117 E 3.9295 8.6323 119.8535 59.7723 29.0829 178.8585 118 H 4.1040 8.2511 117.2075 59.1913 29.8896 177.2124 119 V 3.7278 7.4804 119.2783 65.4947 31.5951 177.2453 120 L 4.4328 7.8545 115.9638 54.5488 42.9500 177.1600 121 A 4.1525 7.5553 121.4745 51.4380 18.9651 177.3316 122 R 4.0339 8.3561 120.2884 55.9971 30.3332 177.3169 123 R 4.1252 8.5019 118.9295 56.3384 29.7449 176.3126 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 1 S 8.33 4.38 0.00 4.08 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 2 L 8.40 4.00 0.00 1.35 1.05 0.49 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.40 4.57 0.00 3.48 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 4 T 9.49 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 1.24 0.00 0.00 5 I 8.98 4.81 1.86 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 1.25 1.05 0.81 0.00 0.00 6 L 8.74 4.68 0.00 1.72 1.47 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.90 4.27 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 0.66 0.00 0.00 0.86 0.00 0.00 8 V 8.52 4.61 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 0.85 0.00 0.00 0.82 0.00 0.00 9 D 8.34 5.03 0.00 2.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.84 0.00 2.87 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 11 S 8.55 4.55 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 12 P 0.00 5.01 0.00 2.26 2.12 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 *14 I 7.94 4.10 2.20 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 1.33 1.03 1.21 0.00 0.00 15 V 8.12 3.63 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 0.95 0.00 0.00 0.82 0.00 0.00 16 D 8.35 4.36 0.00 3.06 2.67 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 17 V 7.64 3.51 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 0.67 0.00 0.00 0.85 0.00 0.00 18 F 8.08 4.09 0.00 3.18 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 19 V 8.23 3.86 2.28 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 1.16 0.00 0.00 0.98 0.00 0.00 20 T 7.82 3.98 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 1.21 0.00 0.00 *22 L 7.85 4.45 0.00 1.86 1.88 0.94 0.58 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 23 E 8.60 4.06 0.00 2.10 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 2.37 2.53 0.00 24 R 7.96 4.08 0.00 1.86 2.03 0.00 3.16 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 25 G 7.96 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 0.00 0.00 0.00 26 G 8.05 3.85 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 0.00 0.00 0.00 27 Y 7.68 4.79 0.00 3.03 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 28 R 9.31 4.56 0.00 1.87 1.88 0.00 3.10 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 29 P 0.00 5.32 0.00 2.13 2.06 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 30 I 8.84 4.82 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 1.27 0.90 0.91 0.00 0.00 31 T 8.35 5.02 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 1.17 0.00 0.00 32 A 8.26 4.74 1.10 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 33 F 9.65 5.23 0.00 3.08 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 34 S 7.47 4.62 0.00 4.02 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 35 G 8.47 3.74 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 0.00 0.00 0.00 36 E 8.16 3.93 0.00 2.05 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 2.38 2.38 0.00 37 E 8.27 3.95 0.00 2.13 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 2.31 2.35 0.00 38 C 8.18 3.92 0.00 3.02 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 39 L 7.92 3.98 0.00 1.86 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.03 3.93 0.00 2.16 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 2.33 2.47 0.00 41 A 8.23 4.01 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 42 L 7.83 3.99 0.00 1.76 1.72 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.83 4.47 0.00 2.83 2.87 0.00 0.00 7.03 7.87 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 44 A 7.86 4.31 1.29 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 0.00 0.00 0.00 45 T 7.91 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 46 P 0.00 4.23 0.00 2.06 2.05 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 47 P 0.00 4.71 0.00 2.41 2.05 0.00 3.74 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 1.92 1.94 0.00 48 D 8.69 4.62 0.00 2.74 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 49 L 7.53 4.59 0.00 1.61 1.39 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.59 4.71 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 0.85 0.00 0.00 0.87 0.00 0.00 51 L 8.89 4.92 0.00 1.25 1.21 0.59 0.15 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 52 L 8.35 4.74 0.00 1.42 1.34 0.78 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.71 4.40 0.00 2.94 2.40 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 54 I 7.97 3.69 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.16 0.60 0.00 0.00 *57 E 7.96 4.35 0.00 2.09 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 2.18 2.37 0.00 58 P 0.00 4.43 0.00 2.21 2.16 0.00 3.80 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 1.97 1.95 0.00 *60 D 7.68 4.51 0.00 3.17 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 61 G 8.36 3.68 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 0.00 0.00 0.00 62 W 7.84 4.33 0.00 3.46 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 63 E 8.97 4.12 0.00 2.20 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 2.42 2.58 0.00 64 T 8.10 3.83 4.31 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 1.16 0.00 0.00 65 L 8.21 3.90 0.00 1.84 2.04 1.00 1.32 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 66 E 8.43 3.96 0.00 2.47 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 0.00 2.43 2.51 0.00 67 R 7.99 3.92 0.00 2.04 1.95 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 68 I 7.81 3.64 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.84 0.00 0.00 69 K 7.80 4.04 0.00 0.84 1.05 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.23 0.93 7.81 70 T 7.45 4.35 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 71 D 7.80 4.40 0.00 2.80 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 72 P 0.00 4.30 0.00 2.21 2.17 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 73 A 8.18 4.13 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 74 T 7.80 4.55 4.20 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 1.19 0.00 0.00 75 R 8.05 3.94 0.00 1.97 2.25 0.00 3.02 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 76 D 7.89 4.57 0.00 2.68 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 77 I 7.47 4.13 1.91 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 1.26 0.50 0.93 0.00 0.00 78 P 0.00 4.46 0.00 2.07 2.15 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 79 V 8.31 4.69 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 1.02 0.00 0.00 0.95 0.00 0.00 80 L 8.54 5.25 0.00 1.48 1.42 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *82 L 8.38 4.57 0.00 1.45 1.52 0.39 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.83 4.99 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 1.11 0.00 0.00 84 A 8.72 4.65 1.30 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 0.00 0.00 85 K 7.16 4.67 0.00 1.85 1.74 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 86 P 0.00 3.86 0.00 2.03 2.09 0.00 3.68 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 2.07 2.22 0.00 87 L 6.73 4.13 0.00 1.48 1.60 1.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.89 4.11 4.38 0.00 0.00 0.00 0.00 0.00 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 89 P 0.00 4.24 0.00 2.16 2.15 0.00 3.59 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 2.11 2.19 0.00 90 E 8.10 3.92 0.00 2.00 1.92 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 2.35 2.42 0.00 91 E 8.28 3.84 0.00 2.19 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 2.06 2.24 0.00 92 A 7.96 4.10 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 93 N 8.28 4.30 0.00 3.12 2.86 0.00 0.00 6.81 7.03 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 94 E 8.13 3.63 0.00 1.66 1.53 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 1.47 1.80 0.00 95 Y 7.78 4.35 0.00 3.20 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 96 G 7.75 3.94 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 0.00 0.00 0.00 97 S 7.96 4.35 0.00 4.06 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 98 Y 8.20 4.73 0.00 3.28 3.16 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 99 I 7.29 4.92 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.83 1.16 0.00 0.00 100 E 8.92 4.23 0.00 1.95 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 2.31 2.37 0.00 101 D 7.05 4.46 0.00 2.59 2.43 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 0.00 102 Y 8.24 4.96 0.00 2.95 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 0.00 103 I 8.12 4.53 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 1.04 0.00 0.00 104 L 8.68 4.78 0.00 1.62 1.70 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.20 4.58 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.57 7.81 106 P 0.00 4.50 0.00 2.15 1.97 0.00 3.86 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 1.70 0.00 107 T 8.22 4.48 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 1.24 0.00 0.00 108 T 7.95 3.86 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 0.00 109 H 8.23 4.19 0.00 2.91 3.38 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.56 4.05 0.00 3.31 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.98 4.04 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 112 L 8.46 4.01 0.00 1.84 2.03 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.49 4.13 0.00 3.07 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 0.00 114 E 8.33 3.96 0.00 2.26 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 2.33 2.37 0.00 115 A 8.19 4.02 1.42 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 0.00 0.00 116 I 7.91 3.68 1.82 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 1.51 0.71 0.85 0.00 0.00 117 E 8.63 3.93 0.00 2.02 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 2.51 2.50 0.00 118 H 8.25 4.10 0.00 3.28 3.50 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.48 3.73 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 0.89 0.00 0.00 0.99 0.00 0.00 120 L 7.85 4.43 0.00 1.61 1.66 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.56 4.15 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 0.00 122 R 8.36 4.03 0.00 1.79 1.90 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 123 R 8.50 4.13 0.00 1.88 1.88 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.