NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4922 8.4029 118.6713 56.4454 31.7739 174.6961 4 K 4.8860 8.6912 128.6992 51.7398 35.3628 170.6339 5 Y 4.3976 10.3064 128.8330 55.2569 40.2151 174.1188 6 I 4.0660 7.8282 128.2639 60.8575 38.1284 175.7793 7 V 4.2771 8.0364 127.2535 61.2459 33.5722 175.3584 8 T 4.2064 8.2277 118.2473 60.2820 71.1167 175.9953 9 W 4.2841 8.7277 121.0678 59.9742 28.8660 178.4053 10 D 4.4670 8.3021 118.3651 57.9206 40.3794 178.7757 11 M 4.0492 7.8411 118.8792 57.9712 31.8216 178.6083 12 L 3.9954 8.0012 120.7196 58.3083 42.3573 178.8496 13 Q 4.0336 8.2917 119.4513 59.1923 28.8894 178.3607 14 I 3.7300 7.4708 120.9186 64.6787 37.1325 178.1546 15 H 4.2481 8.0391 116.8131 58.7975 28.5092 177.7552 16 A 4.0140 8.3817 122.9762 55.2297 18.0689 179.8652 17 R 4.0698 8.3529 118.8915 59.5067 28.6273 179.8970 18 K 4.0525 7.8143 123.5085 59.3070 31.3025 183.0269 19 L 4.4558 8.0035 120.2548 57.7691 41.7833 178.7977 20 A 4.0608 7.8566 120.6046 54.8501 18.3744 179.4533 21 S 4.2338 7.7158 112.3275 61.4686 63.2079 176.6085 22 R 4.2039 7.5418 121.4743 58.6795 29.6277 178.0441 23 L 4.7408 7.3102 114.8961 54.8285 41.7694 176.6863 24 M 4.4946 7.1922 119.0914 53.6272 33.0452 174.5329 25 P 4.5729 0.0000 0.0000 62.4748 32.4134 176.4171 26 S 4.7795 8.0061 112.8465 59.5189 63.6558 176.2878 27 E 4.0423 8.0251 120.0491 58.6676 29.3392 177.4978 28 Q 3.9001 7.5770 114.8498 56.3997 29.1460 175.5596 29 W 5.0787 7.4081 121.4682 55.7226 31.2512 176.5378 30 K 4.0182 9.0674 126.9665 57.2474 31.9024 174.8473 31 G 3.9230 6.3678 102.7925 46.5692 0.0000 171.9380 32 I 4.9950 8.3844 119.7824 59.5627 41.6934 174.9214 33 I 4.6382 8.8143 126.8934 59.5812 39.6603 174.3277 34 A 4.9102 8.5519 129.9355 50.5032 21.0768 176.2897 35 V 4.0100 8.4743 122.9844 61.9088 32.2207 175.2630 36 S 4.4157 8.2713 123.3326 58.6349 62.5694 174.1860 37 R 4.3393 8.7273 124.4987 56.8241 31.4223 178.6156 38 G 3.6746 8.2905 106.4146 48.2466 0.0000 174.2560 39 G 3.9776 8.7316 107.4268 45.5747 0.0000 175.5994 40 L 3.8298 7.7627 121.5605 57.6429 41.6110 179.5553 41 V 3.5813 7.2757 117.5213 65.6497 31.6538 176.1173 42 P 4.4377 0.0000 0.0000 65.5098 31.2175 178.8563 43 G 3.5711 8.1445 104.4450 47.7367 0.0000 175.6858 44 A 4.0549 8.2576 123.3767 54.7371 18.3159 179.8353 45 L 3.9975 8.0578 117.7786 57.8707 41.7628 179.6176 46 L 3.9427 8.0871 118.7442 57.7689 41.5995 179.2577 47 A 4.0743 8.0928 120.7074 55.1585 17.6922 179.7992 48 R 3.8109 7.7560 117.0805 59.8134 30.0726 178.7005 49 E 4.0258 7.9538 116.8663 59.1369 29.5801 178.2806 50 L 4.1960 8.4458 117.5380 55.0558 42.0991 177.6508 51 G 3.8368 7.6467 105.5030 46.0757 0.0000 173.0904 52 I 4.1766 7.8113 123.2786 60.6085 37.6464 176.9409 53 R 4.1847 8.4928 123.7676 57.7254 30.1118 172.5089 54 H 4.5945 8.0421 116.2553 56.0492 29.7558 173.4386 55 V 4.9078 8.0914 123.9940 61.0801 34.4712 173.6853 56 D 5.0931 9.1776 129.2662 53.9575 44.9218 174.3755 57 T 5.6299 8.7403 110.6342 59.7211 72.7965 170.2922 58 V 4.4721 8.1574 119.3931 60.9862 34.2183 173.8244 59 A 4.7275 8.9244 131.7091 51.7203 20.0085 176.4795 60 I 4.9190 8.4731 124.8751 59.4963 38.8101 172.2671 61 S 4.6539 9.4840 129.6969 57.5185 63.9945 170.7363 62 S 4.9859 8.7695 124.7760 57.0216 65.1275 170.4612 *63 Y 4.4502 8.2212 127.1235 55.2621 38.3523 172.1263 64 D 4.8405 8.6257 125.5339 52.7948 42.2435 176.2315 65 H 4.7105 9.0057 121.7119 54.3971 29.8099 175.1504 66 D 4.5540 8.8965 125.8744 54.2148 39.6476 174.1267 67 N 4.9946 8.8923 117.7277 52.7097 39.1035 174.7240 68 Q 4.5252 8.3920 119.9497 54.6020 32.1911 173.8901 69 R 4.5378 8.4719 123.2462 55.4084 31.5635 176.2451 70 E 4.5043 8.6534 124.6212 54.2949 29.7443 174.2338 71 L 4.3684 8.2997 128.9378 55.3156 43.7412 177.0593 72 K 4.3631 8.9254 131.2092 54.9386 35.5769 176.1733 73 V 4.3110 8.3953 126.8259 60.2522 31.1119 173.2528 74 L 4.1642 8.8641 127.3556 56.4058 41.9362 177.6831 75 K 4.6907 7.9861 119.3739 54.4464 35.5686 174.1602 76 R 5.0378 8.4142 125.4702 54.4131 32.7628 174.5778 77 A 4.3160 8.6503 128.1722 51.9100 19.2753 176.3967 78 E 4.3457 8.5283 120.2162 55.0520 31.5903 175.0433 79 G 3.7591 8.5957 107.5942 44.9537 0.0000 173.0225 80 D 4.5840 8.7667 116.1494 53.9456 41.4835 178.4100 81 G 3.8588 8.3505 110.5615 45.8127 0.0000 173.6455 82 E 4.5156 7.5067 115.5431 56.8005 29.8981 181.7843 83 G 4.1196 9.4125 112.2510 44.6134 0.0000 172.0378 84 F 5.1897 8.4707 117.9943 55.5398 42.9531 174.7139 85 I 4.4850 8.0517 120.2050 59.6213 39.5038 175.1032 86 V 4.4405 8.1080 127.4540 61.9572 32.8554 174.6462 87 I 5.7113 8.7394 127.6941 58.2703 41.5304 173.4512 88 D 5.3064 8.5613 127.0889 52.3013 45.0567 176.0101 89 D 4.7030 8.8643 120.3484 56.1304 40.5662 176.0003 90 L 5.4095 7.9077 116.1395 54.7230 43.8655 175.1588 91 V 3.9445 8.0787 118.4086 60.3701 33.3063 174.9474 92 D 4.4615 9.1184 126.8415 54.5835 41.8613 176.6624 93 T 4.2395 7.7706 111.6534 61.4148 70.6706 175.8625 94 G 4.0333 8.3976 109.9776 45.1337 0.0000 175.1541 95 G 3.6255 7.9964 107.0056 48.2799 0.0000 176.3921 96 T 4.0986 7.9268 117.8049 65.7563 68.4703 176.8607 97 A 4.0292 7.9019 122.4880 55.1830 18.5895 179.5861 98 V 3.4985 8.2309 116.9842 66.0458 31.5868 178.0243 99 A 3.9241 7.5695 119.0397 55.2676 18.1674 179.6998 100 I 3.5935 7.5710 118.2503 64.5412 36.7165 178.6478 101 R 3.8465 8.2089 122.2348 60.0315 29.5682 179.0887 102 E 3.9836 7.7600 117.5044 61.2593 29.8033 181.5703 103 M 4.1924 7.4563 118.2688 56.7700 33.6020 176.5398 104 Y 4.8912 7.7754 116.3264 55.3041 38.2356 174.2859 105 P 4.4153 0.0000 0.0000 65.1517 32.4385 178.9914 106 K 4.4474 8.2339 119.1124 54.2521 31.7900 179.7045 107 A 5.0289 7.6335 120.5620 52.2656 20.4632 178.0233 108 H 4.8299 8.7046 121.1559 55.0205 30.0340 172.9937 109 F 5.1956 9.2978 127.9870 57.9373 40.4181 174.3387 110 V 4.8941 8.8156 118.9930 59.8764 36.2591 174.5703 111 T 5.2343 8.0603 111.2130 59.6468 72.5207 175.0165 112 I 3.5886 8.4413 122.3516 64.0606 38.1950 176.1445 113 F 5.4288 7.9644 119.6339 56.0585 42.2606 174.9681 114 A 4.4837 8.2078 121.6242 51.0817 22.4884 176.5460 115 K 5.0206 8.4876 122.6111 54.4685 33.5798 176.6578 116 P 4.1115 0.0000 0.0000 65.8625 31.5114 178.0763 117 A 4.0686 8.1801 119.6273 54.9334 18.4130 178.3870 118 G 3.8503 7.9538 104.7321 46.2802 0.0000 176.1574 119 R 3.5773 7.7784 119.4401 58.8146 29.3208 181.9894 120 P 4.4674 0.0000 0.0000 63.4286 31.6220 176.5275 121 L 4.5565 7.9403 117.9459 54.5467 42.1327 176.6408 122 V 4.5241 6.9296 111.9060 59.3677 34.1322 175.7259 123 D 4.6098 8.8314 123.4102 57.3803 41.5663 176.2235 124 D 4.7136 7.8144 115.0315 53.7969 44.5311 173.8641 125 Y 5.6760 7.9889 120.8375 57.3584 40.7451 173.5718 126 V 3.9391 8.5507 117.1020 63.9477 32.7137 175.1930 127 V 4.3971 7.8052 120.3578 61.2999 33.6638 173.6770 128 D 5.2083 8.6921 127.0269 53.5433 42.2913 175.8846 129 I 4.4730 8.0641 122.8031 58.6044 41.2910 173.5250 130 P 4.5448 0.0000 0.0000 62.2339 32.0212 177.3084 131 Q 3.9323 8.8424 121.6222 59.2481 28.6647 178.0575 132 D 4.5484 7.9554 114.2546 54.7023 40.1334 175.8993 133 T 4.5836 7.7502 118.3293 62.4925 69.3853 174.3079 134 W 4.5213 8.7851 135.0000 56.6063 32.6515 174.7917 135 I 4.6053 6.9541 126.4982 59.6073 38.5456 175.0666 136 E 4.3425 8.9262 128.3558 54.9764 30.2875 176.4917 137 Q 3.7290 7.9978 123.9880 54.3379 29.7123 175.9163 138 P 3.6282 0.0000 0.0000 64.9726 31.1871 178.7319 139 W 4.5637 6.6350 113.2772 58.3014 28.3775 176.2392 140 D 4.8022 7.3705 117.3622 54.3384 40.6998 175.2293 141 M 4.7957 7.0411 118.3324 53.5840 35.2062 174.6949 142 G 4.0319 7.8400 105.3691 45.0130 0.0000 173.6978 143 V 3.8735 8.4528 121.3719 62.2153 31.2252 175.7077 144 V 4.6304 7.8988 119.3151 58.9752 35.7606 175.1346 145 F 4.1548 8.8261 123.4172 58.6186 39.5602 174.7126 146 V 3.9446 7.0923 126.0330 59.9667 33.2636 173.2007 147 P 4.0531 0.0000 0.0000 61.9604 31.7852 174.8145 148 P 4.3796 0.0000 0.0000 62.4947 31.9194 176.9440 149 I 3.7453 8.5017 124.5479 64.3870 37.3896 177.1819 150 S 4.4174 7.8926 119.9534 58.0189 62.5546 176.2678 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 E 8.40 4.49 0.00 1.68 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 0.00 2.21 1.90 0.00 4 K 8.69 4.89 0.00 1.57 1.56 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.07 7.81 5 Y 10.31 4.40 0.00 2.90 2.78 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 6 I 7.83 4.07 1.66 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 1.11 0.82 0.77 0.00 0.00 7 V 8.04 4.28 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 0.91 0.00 0.00 0.77 0.00 0.00 8 T 8.23 4.21 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 1.15 0.00 0.00 9 W 8.73 4.28 0.00 3.44 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 10 D 8.30 4.47 0.00 2.73 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 11 M 7.84 4.05 0.00 2.01 2.11 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 2.60 2.68 0.00 12 L 8.00 4.00 0.00 1.92 1.97 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.29 4.03 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 14 I 7.47 3.73 1.94 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 1.23 0.91 0.00 0.00 15 H 8.04 4.25 0.00 3.22 3.13 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.38 4.01 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 17 R 8.35 4.07 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 18 K 7.81 4.05 0.00 1.75 1.81 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 19 L 8.00 4.46 0.00 1.79 1.80 0.86 1.07 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 20 A 7.86 4.06 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 21 S 7.72 4.23 0.00 4.00 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 22 R 7.54 4.20 0.00 2.12 2.04 0.00 3.30 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 23 L 7.31 4.74 0.00 1.84 1.85 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.19 4.49 0.00 1.98 2.16 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 2.62 2.87 0.00 25 P 0.00 4.57 0.00 1.94 2.06 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 26 S 8.01 4.78 0.00 4.17 4.19 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 27 E 8.03 4.04 0.00 1.87 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 0.00 2.27 2.33 0.00 28 Q 7.58 3.90 0.00 1.55 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 29 W 7.41 5.08 0.00 3.17 2.92 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 30 K 9.07 4.02 0.00 1.48 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.26 7.81 31 G 6.37 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 0.00 0.00 0.00 32 I 8.38 5.00 1.87 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 1.10 0.78 0.95 0.00 0.00 33 I 8.81 4.64 1.61 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.94 0.56 0.00 0.00 34 A 8.55 4.91 1.27 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 35 V 8.47 4.01 2.29 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 0.93 0.00 0.00 0.99 0.00 0.00 36 S 8.27 4.42 0.00 3.93 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 37 R 8.73 4.34 0.00 1.83 1.78 0.00 3.17 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 38 G 8.29 3.67 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 0.00 0.00 0.00 39 G 8.73 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 0.00 0.00 0.00 40 L 7.76 3.83 0.00 1.60 1.61 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.28 3.58 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 1.47 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.44 0.00 2.23 2.13 0.00 3.68 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 2.27 2.37 0.00 43 G 8.14 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 44 A 8.26 4.05 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 45 L 8.06 4.00 0.00 1.93 1.76 1.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.09 3.94 0.00 1.79 1.65 0.82 0.65 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 47 A 8.09 4.07 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 48 R 7.76 3.81 0.00 1.94 2.12 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 49 E 7.95 4.03 0.00 2.03 2.01 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 2.61 2.44 0.00 50 L 8.45 4.20 0.00 1.66 1.79 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.65 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 0.00 0.00 0.00 52 I 7.81 4.18 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.98 0.00 0.00 53 R 8.49 4.18 0.00 1.82 1.83 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 54 H 8.04 4.59 0.00 3.29 3.33 0.00 5.77 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.09 4.91 2.07 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 0.88 0.00 0.00 0.98 0.00 0.00 56 D 9.18 5.09 0.00 2.78 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 0.00 0.00 0.00 57 T 8.74 5.63 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 58 V 8.16 4.47 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 0.74 0.00 0.00 1.11 0.00 0.00 59 A 8.92 4.73 1.27 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 60 I 8.47 4.92 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 1.20 0.88 0.91 0.00 0.00 61 S 9.48 4.65 0.00 3.36 3.76 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 S 8.77 4.99 0.00 3.33 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 *63 Y 8.22 4.45 0.00 2.00 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 0.00 0.00 0.00 0.00 64 D 8.63 4.84 0.00 2.52 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 65 H 9.01 4.71 0.00 3.27 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.90 4.55 0.00 2.81 2.55 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 67 N 8.89 4.99 0.00 2.79 2.86 0.00 0.00 5.64 7.39 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 68 Q 8.39 4.53 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 69 R 8.47 4.54 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 0.00 70 E 8.65 4.50 0.00 2.10 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 2.22 2.25 0.00 71 L 8.30 4.37 0.00 1.68 1.54 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.93 4.36 0.00 1.45 1.63 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.27 7.81 73 V 8.40 4.31 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 0.88 0.00 0.00 0.93 0.00 0.00 74 L 8.86 4.16 0.00 1.54 1.75 0.93 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 75 K 7.99 4.69 0.00 1.76 1.60 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 76 R 8.41 5.04 0.00 1.79 1.73 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 77 A 8.65 4.32 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 78 E 8.53 4.35 0.00 1.93 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 2.21 2.27 0.00 79 G 8.60 3.76 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 0.00 0.00 0.00 80 D 8.77 4.58 0.00 2.77 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 81 G 8.35 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 82 E 7.51 4.52 0.00 2.00 1.78 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 2.23 1.84 0.00 83 G 9.41 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 5.19 0.00 3.21 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 85 I 8.05 4.49 1.58 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.69 0.00 0.00 86 V 8.11 4.44 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 0.79 0.00 0.00 0.63 0.00 0.00 87 I 8.74 5.71 1.83 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 1.09 1.15 0.89 0.00 0.00 88 D 8.56 5.31 0.00 3.07 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 89 D 8.86 4.70 0.00 3.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 5.41 0.00 1.60 1.76 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.08 3.94 2.01 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 0.58 0.00 0.00 0.93 0.00 0.00 92 D 9.12 4.46 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.24 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 94 G 8.40 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 0.00 0.00 0.00 95 G 8.00 3.63 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 0.00 0.00 0.00 96 T 7.93 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 1.24 0.00 0.00 97 A 7.90 4.03 1.62 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 0.00 0.00 98 V 8.23 3.50 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 1.00 0.00 0.00 1.02 0.00 0.00 99 A 7.57 3.92 1.35 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 0.00 0.00 100 I 7.57 3.59 1.52 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.60 0.00 0.00 101 R 8.21 3.85 0.00 1.98 2.05 0.00 3.21 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 102 E 7.76 3.98 0.00 2.14 1.85 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 2.26 2.22 0.00 103 M 7.46 4.19 0.00 1.15 1.58 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.35 0.00 104 Y 7.78 4.89 0.00 2.88 2.77 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 0.00 105 P 0.00 4.42 0.00 2.19 2.18 0.00 3.52 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 106 K 8.23 4.45 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.24 7.81 107 A 7.63 5.03 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 0.00 108 H 8.70 4.83 0.00 3.44 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.30 5.20 0.00 3.11 2.92 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 0.00 110 V 8.82 4.89 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 0.55 0.00 0.00 0.86 0.00 0.00 111 T 8.06 5.23 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 0.82 0.00 0.00 112 I 8.44 3.59 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 -0.02 0.00 0.00 113 F 7.96 5.43 0.00 2.88 2.75 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 0.00 114 A 8.21 4.48 0.30 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 0.00 115 K 8.49 5.02 0.00 1.90 1.65 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.11 7.81 116 P 0.00 4.11 0.00 2.00 2.09 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 117 A 8.18 4.07 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 0.00 118 G 7.95 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 0.00 119 R 7.78 3.58 0.00 1.76 1.97 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 120 P 0.00 4.47 0.00 2.04 2.13 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 121 L 7.94 4.56 0.00 1.79 1.80 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.93 4.52 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 0.28 0.00 0.00 0.87 0.00 0.00 123 D 8.83 4.61 0.00 2.52 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.71 0.00 2.74 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 0.00 125 Y 7.99 5.68 0.00 2.93 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 0.00 126 V 8.55 3.94 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 0.68 0.00 0.00 0.86 0.00 0.00 127 V 7.81 4.40 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 0.99 0.00 0.00 0.61 0.00 0.00 128 D 8.69 5.21 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 4.47 1.67 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.83 0.61 0.00 0.00 130 P 0.00 4.54 0.00 2.14 1.94 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 131 Q 8.84 3.93 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 132 D 7.96 4.55 0.00 2.78 2.79 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 0.00 133 T 7.75 4.58 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 1.25 0.00 0.00 134 W 8.79 4.52 0.00 3.43 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 0.00 135 I 6.95 4.61 1.27 0.00 0.00 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 0.80 0.32 0.31 0.00 0.00 136 E 8.93 4.34 0.00 1.79 1.80 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 2.47 2.46 0.00 137 Q 8.00 3.73 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.89 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 138 P 0.00 3.63 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.74 0.00 139 W 6.64 4.56 0.00 3.46 3.50 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 0.00 140 D 7.37 4.80 0.00 2.69 2.75 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 0.00 141 M 7.04 4.80 0.00 1.91 1.85 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 2.57 2.35 0.00 142 G 7.84 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 0.00 0.00 0.00 143 V 8.45 3.87 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 0.87 0.00 0.00 1.00 0.00 0.00 144 V 7.90 4.63 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 0.82 0.00 0.00 1.01 0.00 0.00 145 F 8.83 4.15 0.00 2.95 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 0.00 146 V 7.09 3.94 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 0.76 0.00 0.00 0.88 0.00 0.00 147 P 0.00 4.05 0.00 2.02 2.02 0.00 3.57 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 148 P 0.00 4.38 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 149 I 8.50 3.75 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.89 0.00 0.00 150 S 7.89 4.42 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.