NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2033 8.2649 123.5875 51.7980 20.1139 175.4894 *2 K 4.2213 8.1723 112.9667 56.4999 33.9984 174.6537 3 L 5.3812 8.5823 124.9087 53.3360 44.4856 175.1987 4 I 4.8220 9.0483 118.9722 59.4901 41.6134 173.8618 5 S 4.9375 8.2258 114.9491 57.3613 64.5352 174.0119 6 N 4.5189 9.2556 123.1251 55.2625 38.9070 175.7222 7 D 4.6799 8.0924 116.5460 54.9285 42.3861 176.5000 8 L 4.7030 7.7084 117.0404 52.8212 44.1096 175.8033 9 R 4.5012 8.0651 119.6633 54.0767 32.6206 174.0603 10 D 4.7214 8.8482 124.8933 56.2344 41.4036 176.4153 11 G 3.9981 9.6421 115.9557 45.4553 0.0000 173.0735 12 D 4.7755 7.8892 119.8355 52.6694 42.2420 175.8401 13 K 4.2078 8.2712 119.5816 56.1740 32.5620 177.0867 14 L 4.1798 8.6092 124.5650 54.1442 42.6271 175.2051 15 P 4.4585 0.0000 0.0000 62.6821 32.2509 176.8607 16 H 3.9888 8.8630 120.5052 59.2445 30.2401 177.1427 17 R 4.0747 7.8939 119.2775 58.3079 30.7334 177.2994 18 H 5.1655 8.1744 113.7544 54.6498 30.3252 175.1941 19 V 3.5586 7.3423 119.6618 61.9399 32.8022 175.2836 20 F 4.9524 8.4631 128.2642 58.5844 40.2975 175.2684 21 N 4.7043 6.9509 119.2620 51.8116 37.9901 175.1023 22 G 3.8323 5.9056 108.4470 44.1223 0.0000 173.7071 *24 G 3.7320 8.6588 112.3276 44.9554 0.0000 171.7519 25 Y 4.7354 8.0159 117.3106 56.4239 40.3011 174.6480 26 D 4.8022 8.4794 118.3423 52.9288 40.0013 175.9949 27 G 3.4411 7.9801 108.7416 46.4172 0.0000 174.9945 28 D 4.2771 8.3158 117.9715 54.6393 41.1771 176.6875 29 N 4.0734 7.8965 116.4748 54.6835 37.7795 173.4137 30 I 4.4199 7.5261 117.0446 58.6646 39.3008 175.7264 31 S 2.7900 8.1607 120.5930 57.1625 63.7066 172.0887 32 P 4.6314 0.0000 0.0000 62.3473 32.1991 175.4109 33 H 4.5024 9.3794 122.1688 57.0021 30.5548 174.5369 34 L 5.0611 8.6142 123.2695 53.1948 46.3789 175.2200 35 A 4.9096 9.1356 123.7195 50.1431 22.8815 175.0026 36 W 6.0159 8.0385 117.4164 54.2038 31.8202 173.4905 37 D 4.5010 8.7845 118.1073 53.1856 43.7392 173.6237 38 D 4.3620 8.3340 119.0835 55.3085 38.9074 173.6996 39 V 4.2229 7.4327 112.7240 59.7920 33.6912 175.1868 40 P 4.3924 0.0000 0.0000 62.3606 31.8944 175.8658 41 A 4.1979 8.2675 123.5331 53.7653 18.8036 178.1721 42 G 3.9677 8.8203 109.9793 45.1904 0.0000 174.1049 43 T 3.9659 7.3554 116.7280 63.8940 68.3937 174.0568 44 K 4.6223 8.6344 124.5210 56.2761 35.1885 175.5750 45 S 4.4823 7.0200 112.8836 57.8115 66.1401 174.1726 46 F 5.2995 8.9519 117.9974 55.6240 43.2639 174.4053 47 V 4.7933 8.5322 120.5273 61.1008 34.5834 174.4100 48 V 4.8647 8.5177 127.1435 61.2803 34.4291 174.2965 49 T 5.2073 8.9132 116.3991 60.3215 73.1706 172.0154 50 C 5.1078 9.3944 122.0606 57.8574 34.3387 172.0224 51 Y 5.1062 9.0851 127.0689 55.8387 42.4707 173.5273 52 D 5.1707 8.4449 126.2806 50.9441 42.0708 174.9148 53 P 3.9541 0.0000 0.0000 64.4510 31.7068 176.9296 54 D 4.3811 7.8841 117.7113 54.0577 41.3068 176.6030 55 A 3.9942 7.5548 123.5262 51.6661 19.1010 176.8537 56 P 4.6306 0.0000 0.0000 61.6987 29.9787 175.6953 57 T 4.4998 7.9699 110.1745 61.4611 70.9444 175.8483 58 G 4.1190 9.4433 110.1656 45.5540 0.0000 174.4891 59 S 4.5861 7.8395 111.9160 57.7487 64.4906 176.1633 60 G 3.5489 8.4566 108.9384 45.5475 0.0000 172.7961 61 W 4.9897 7.1850 129.2778 55.9700 34.7845 175.1456 62 W 5.1449 9.5830 128.4007 56.6099 29.2426 176.8106 63 H 4.6482 9.7918 123.5823 57.7267 29.9965 175.4806 64 W 5.3258 8.1531 125.1472 56.6193 34.3170 173.4478 65 V 4.7360 8.5194 125.9998 61.3064 34.6565 173.5648 66 V 4.8393 8.7722 127.9232 61.2080 34.3402 174.6807 67 V 4.6531 8.7155 120.3246 59.6549 36.1104 175.0596 68 N 4.2455 8.8105 115.8185 54.3080 35.9712 174.8791 69 L 4.2570 7.7921 118.5507 53.8233 42.4007 175.7130 70 P 4.7073 0.0000 0.0000 62.3285 31.9286 177.0517 71 A 3.9822 8.6459 122.3232 55.1756 18.2682 178.2426 72 D 4.7974 8.0948 112.8149 53.7408 39.9617 176.6124 73 T 4.0371 8.2965 118.1134 64.1628 68.9836 174.4139 74 R 3.2205 7.6778 121.3834 54.8432 33.0801 174.6476 75 V 4.0866 6.2954 116.4949 60.3442 34.3766 173.3667 76 L 4.3973 8.6107 122.2946 52.1620 44.5586 174.6018 77 P 4.7711 0.0000 0.0000 62.0004 32.8192 176.0768 78 Q 4.2344 8.6898 122.7184 58.2103 29.3397 177.2388 79 G 3.9272 9.1760 112.8517 45.3336 0.0000 174.8483 80 F 4.0429 8.2845 122.7139 61.0060 39.5928 176.0174 81 G 4.4538 8.6579 108.1394 46.0767 0.0000 174.3606 82 S 4.5602 8.2062 113.3595 57.7130 64.1608 175.0073 83 G 3.9183 8.4699 107.3964 45.8001 0.0000 174.6050 84 L 4.3367 7.6807 118.6501 54.9409 42.4281 176.8125 85 V 4.5462 7.3306 117.1160 60.5866 35.3167 174.6745 86 A 4.5536 7.9701 133.1974 51.1710 17.5999 178.6318 *88 P 4.2607 0.0000 0.0000 64.2251 32.2812 175.1088 89 D 4.5172 8.5398 120.1561 56.0316 41.4185 177.0431 90 G 4.0090 8.9560 114.2163 45.3002 0.0000 173.5808 91 V 4.1915 7.4220 119.7635 62.7387 32.5293 175.3653 92 L 4.9279 8.8275 125.8229 53.1222 46.2577 175.3164 93 Q 5.0857 8.7756 121.9705 54.9398 30.5861 175.6019 94 T 5.0037 8.3425 115.7523 60.0428 72.0984 173.4705 95 R 4.4990 8.2314 122.4740 56.7352 30.8475 176.4703 96 T 4.6400 8.9216 116.9138 60.0765 71.5690 175.0601 97 D 4.1311 8.5339 120.5902 55.9893 40.4511 177.3118 98 F 4.9656 8.1462 120.6140 58.1769 39.3819 175.3496 99 G 3.8452 9.1623 107.1305 46.4098 0.0000 173.2904 100 K 4.4955 7.7285 117.8837 56.1023 35.2600 174.1080 101 T 5.0085 7.8764 108.1095 59.8212 70.8037 174.2646 102 G 4.1723 8.9694 108.0037 44.8821 0.0000 172.1405 103 Y 4.4998 8.2444 120.7959 57.1741 39.3326 174.4731 104 D 4.8254 7.9953 124.9880 52.5254 44.5815 176.2545 105 G 3.9447 9.3198 110.6800 44.2116 0.0000 173.0096 106 A 3.6099 7.8020 121.6278 52.5113 19.1124 177.8228 107 A 4.1514 7.4948 120.8407 50.7880 20.2374 173.9867 108 P 4.4585 0.0000 0.0000 60.4946 33.0875 175.3872 109 P 4.2330 0.0000 0.0000 62.4603 31.6665 175.9871 110 K 3.8057 8.6629 122.5478 58.5254 32.1481 176.8543 111 G 3.9562 8.9754 113.8576 45.3486 0.0000 172.8960 112 E 4.4837 8.1525 119.8128 55.7928 31.5207 175.4944 113 T 4.9677 8.4331 118.8189 62.3413 70.6258 173.2419 114 H 5.1040 9.1823 123.4264 53.8091 32.5891 173.7964 115 R 4.3090 8.8595 119.4480 55.8224 31.7208 175.6020 116 Y 4.2667 9.1049 121.7073 56.3817 40.1821 174.3227 117 I 4.7734 8.7071 126.7095 59.9107 39.2491 174.9656 118 F 5.2004 9.5484 127.0663 56.3750 40.7446 175.1873 119 T 5.1887 9.2161 120.7160 61.5283 72.7279 173.2319 120 V 4.4422 8.4676 124.4178 60.0595 34.2006 174.0206 121 H 5.3707 9.1489 121.7591 53.8263 31.8549 172.8121 122 A 4.6458 8.9392 125.4458 50.7750 20.4125 176.3936 123 L 5.0115 8.5401 123.3565 53.1241 44.6721 176.6706 124 D 4.9201 8.6367 119.7777 53.2243 40.0567 176.0724 125 I 4.5436 7.2608 117.9671 59.1038 41.0855 174.7942 126 E 4.2769 8.7126 126.7100 58.2203 29.8299 177.4096 127 R 4.8096 7.4846 115.6439 54.2752 34.0868 174.2508 128 I 4.1875 8.9124 116.2992 59.7054 39.3986 176.2968 129 D 4.6304 8.2420 123.4865 53.2544 39.4441 175.2362 130 V 4.5410 7.2762 113.9231 59.2158 36.3027 174.5773 131 D 5.0972 8.0689 120.6712 51.1717 41.9032 176.4102 132 E 4.0951 8.7221 115.9934 58.6712 29.5475 177.7023 133 G 3.7640 8.3788 107.4540 45.7697 0.0000 173.9848 134 A 4.0143 7.8599 125.1938 51.8809 18.8195 177.8732 135 S 4.5706 8.3837 117.4907 57.3941 64.2839 174.6820 136 G 2.4271 8.2563 109.4266 48.2029 0.0000 176.2953 137 A 4.2579 7.2174 121.5377 52.2949 17.9153 179.4944 *139 V 3.9007 8.0722 120.9418 64.4191 33.3383 177.6935 140 G 3.6413 7.9815 106.7073 47.6987 0.0000 175.2829 141 F 4.4098 8.6491 123.2489 61.3708 39.0969 177.0687 142 N 4.1779 8.0859 115.5321 56.1769 38.4461 177.3166 143 V 3.4818 8.0855 120.0931 66.2580 31.3198 177.3216 144 H 3.8399 8.1036 116.9458 59.2234 29.7302 176.5093 145 F 4.2486 7.3927 115.0622 58.3716 39.2920 175.7646 146 H 4.8719 7.5398 113.9392 54.9129 30.4053 173.3745 147 S 4.5238 8.0030 115.6758 58.3290 62.6222 173.5333 148 L 4.4791 8.7497 127.2212 56.3438 42.7756 176.2827 149 A 4.5502 7.5379 117.8372 51.6086 22.2573 175.1309 150 S 5.1181 8.5812 112.4470 57.2621 66.5156 173.1518 151 A 4.8914 8.6814 121.3632 50.7231 22.6431 175.3737 152 S 5.2474 8.5374 114.0324 57.0058 67.0405 173.1741 153 I 4.8717 8.9638 120.3400 59.9534 41.0212 174.5892 154 T 5.2000 9.7748 123.4531 62.0263 71.0186 172.9860 155 A 5.4148 8.9602 129.8596 50.0289 22.7698 174.8416 *157 F 4.8596 8.5045 115.6045 57.8489 40.5798 176.2671 158 S 2.7900 7.4674 115.7650 58.2317 62.3213 174.4476 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 0 A 8.26 4.20 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 *2 K 8.17 4.22 0.00 1.80 1.82 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.64 7.81 3 L 8.58 5.38 0.00 1.62 1.56 1.14 1.05 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 4 I 9.05 4.82 1.90 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 1.30 0.66 0.94 0.00 0.00 5 S 8.23 4.94 0.00 3.82 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 6 N 9.26 4.52 0.00 2.58 2.76 0.00 0.00 6.90 8.06 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 7 D 8.09 4.68 0.00 2.52 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.71 4.70 0.00 1.53 1.52 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.07 4.50 0.00 1.84 1.91 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 10 D 8.85 4.72 0.00 2.72 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 11 G 9.64 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 0.00 0.00 0.00 0.00 12 D 7.89 4.78 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.27 4.21 0.00 1.84 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.43 7.81 14 L 8.61 4.18 0.00 1.71 1.63 1.05 0.58 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 15 P 0.00 4.46 0.00 2.22 1.97 0.00 3.74 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 2.34 2.12 0.00 16 H 8.86 3.99 0.00 3.21 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.89 4.07 0.00 1.82 1.50 0.00 3.27 0.00 0.00 3.23 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 18 H 8.17 5.17 0.00 3.07 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.34 3.56 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 0.45 0.00 0.00 -0.05 0.00 0.00 20 F 8.46 4.95 0.00 3.01 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 21 N 6.95 4.70 0.00 2.65 2.86 0.00 0.00 6.09 7.00 0.00 0.00 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 G 5.91 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 *24 G 8.66 3.73 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 0.00 0.00 0.00 25 Y 8.02 4.74 0.00 3.17 2.99 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 26 D 8.48 4.80 0.00 2.70 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 27 G 7.98 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.32 4.28 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.90 4.07 0.00 2.81 2.87 0.00 0.00 7.05 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 30 I 7.53 4.42 1.90 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 1.48 0.86 0.84 0.00 0.00 31 S 8.16 2.79 0.00 2.72 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 32 P 0.00 4.63 0.00 1.67 1.32 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.00 33 H 9.38 4.50 0.00 3.11 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.61 5.06 0.00 1.77 1.66 1.19 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.14 4.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.04 6.02 0.00 3.21 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 37 D 8.78 4.50 0.00 2.64 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 38 D 8.33 4.36 0.00 2.86 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 39 V 7.43 4.22 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 1.16 0.00 0.00 1.13 0.00 0.00 40 P 0.00 4.39 0.00 2.21 2.19 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 41 A 8.27 4.20 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 42 G 8.82 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 43 T 7.36 3.97 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 0.63 0.00 0.00 44 K 8.63 4.62 0.00 1.54 1.76 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.49 7.81 45 S 7.02 4.48 0.00 3.91 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 46 F 8.95 5.30 0.00 3.00 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 47 V 8.53 4.79 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 0.83 0.00 0.00 0.86 0.00 0.00 48 V 8.52 4.86 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 0.68 0.00 0.00 0.48 0.00 0.00 49 T 8.91 5.21 4.64 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 1.15 0.00 0.00 50 C 9.39 5.11 0.00 3.10 3.14 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 51 Y 9.09 5.11 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.44 5.17 0.00 2.44 2.34 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 53 P 0.00 3.95 0.00 2.14 2.19 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 54 D 7.88 4.38 0.00 2.38 2.36 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 55 A 7.55 3.99 1.23 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 0.00 0.00 0.00 56 P 0.00 4.63 0.00 2.19 2.08 0.00 3.70 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 1.97 1.95 0.00 57 T 7.97 4.50 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 1.49 0.00 0.00 58 G 9.44 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 59 S 7.84 4.59 0.00 4.01 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 60 G 8.46 3.55 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 61 W 7.18 4.99 0.00 3.31 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 62 W 9.58 5.14 0.00 3.22 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 63 H 9.79 4.65 0.00 3.37 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.15 5.33 0.00 3.61 3.26 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 65 V 8.52 4.74 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 0.69 0.00 0.00 0.76 0.00 0.00 66 V 8.77 4.84 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 1.14 0.00 0.00 0.51 0.00 0.00 67 V 8.72 4.65 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 0.68 0.00 0.00 0.92 0.00 0.00 68 N 8.81 4.25 0.00 2.98 2.93 0.00 0.00 6.97 7.85 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 69 L 7.79 4.26 0.00 2.15 1.84 0.94 0.97 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 70 P 0.00 4.71 0.00 2.46 2.24 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 71 A 8.65 3.98 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 72 D 8.09 4.80 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.30 4.04 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 1.11 0.00 0.00 74 R 7.68 3.22 0.00 1.23 1.46 0.00 3.26 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.00 75 V 6.30 4.09 1.73 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 0.41 0.00 0.00 0.79 0.00 0.00 76 L 8.61 4.40 0.00 1.61 1.54 0.77 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.77 0.00 2.20 2.04 0.00 3.83 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 2.22 2.12 0.00 78 Q 8.69 4.23 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 79 G 9.18 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.28 4.04 0.00 3.33 3.45 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 81 G 8.66 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 0.00 0.00 0.00 0.00 82 S 8.21 4.56 0.00 3.87 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 83 G 8.47 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 84 L 7.68 4.34 0.00 1.75 1.74 0.92 0.84 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 85 V 7.33 4.55 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 1.03 0.00 0.00 1.10 0.00 0.00 86 A 7.97 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 P 0.00 4.26 0.00 2.34 2.11 0.00 3.87 0.00 0.00 4.12 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 89 D 8.54 4.52 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.96 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 0.00 0.00 0.00 91 V 7.42 4.19 2.34 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 1.07 0.00 0.00 1.18 0.00 0.00 92 L 8.83 4.93 0.00 1.62 1.51 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.78 5.09 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 94 T 8.34 5.00 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 1.19 0.00 0.00 95 R 8.23 4.50 0.00 2.05 1.95 0.00 3.23 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 96 T 8.92 4.64 4.63 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 1.51 0.00 0.00 97 D 8.53 4.13 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.15 4.97 0.00 3.07 3.15 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 0.00 99 G 9.16 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 0.00 100 K 7.73 4.50 0.00 1.97 1.93 0.00 1.53 0.00 0.00 2.27 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.60 7.81 101 T 7.88 5.01 4.48 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 1.28 0.00 0.00 102 G 8.97 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 0.00 0.00 0.00 0.00 103 Y 8.24 4.50 0.00 1.43 2.52 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 0.00 0.00 0.00 0.00 104 D 8.00 4.83 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.32 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 0.00 106 A 7.80 3.61 -0.04 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 0.00 107 A 7.49 4.15 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.03 1.87 0.00 3.55 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 2.04 2.26 0.00 109 P 0.00 4.23 0.00 2.33 2.04 0.00 3.66 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 2.27 2.09 0.00 110 K 8.66 3.81 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 111 G 8.98 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 0.00 0.00 0.00 112 E 8.15 4.48 0.00 1.99 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 2.30 2.39 0.00 113 T 8.43 4.97 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 0.00 114 H 9.18 5.10 0.00 2.66 2.86 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.86 4.31 0.00 1.59 1.78 0.00 3.04 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 116 Y 9.10 4.27 0.00 3.20 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 0.00 117 I 8.71 4.77 2.00 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 1.26 0.68 0.98 0.00 0.00 118 F 9.55 5.20 0.00 3.22 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 0.00 119 T 9.22 5.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 120 V 8.47 4.44 1.23 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 0.35 0.00 0.00 -0.43 0.00 0.00 121 H 9.15 5.37 0.00 2.95 3.14 0.00 5.60 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 0.00 122 A 8.94 4.65 1.19 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 0.00 0.00 123 L 8.54 5.01 0.00 1.42 1.47 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.64 4.92 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.29 2.32 0.00 133 G 8.38 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 0.00 134 A 7.86 4.01 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 0.00 135 S 8.38 4.57 0.00 3.92 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 0.00 136 G 8.26 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 0.00 0.00 0.00 137 A 7.22 4.26 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 *139 V 8.07 3.90 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 0.79 0.00 0.00 0.82 0.00 0.00 140 G 7.98 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 0.00 141 F 8.65 4.41 0.00 3.09 3.09 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 0.00 142 N 8.09 4.18 0.00 2.88 2.78 0.00 0.00 6.71 7.68 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 0.00 143 V 8.09 3.48 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 0.63 0.00 0.00 0.78 0.00 0.00 144 H 8.10 3.84 0.00 3.07 3.21 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.39 4.25 0.00 2.85 2.84 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 0.00 146 H 7.54 4.87 0.00 3.26 3.28 0.00 5.81 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 0.00 147 S 8.00 4.52 0.00 3.87 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 0.00 148 L 8.75 4.48 0.00 1.57 1.67 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.54 4.55 1.20 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 0.00 0.00 0.00 150 S 8.58 5.12 0.00 3.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.68 4.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.54 5.25 0.00 3.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.96 4.87 1.98 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 1.28 0.82 1.00 0.00 0.00 154 T 9.77 5.20 4.32 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 1.28 0.00 0.00 155 A 8.96 5.41 1.43 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 *157 F 8.50 4.86 0.00 3.05 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 0.00 158 S 7.47 2.79 0.00 3.56 3.29 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 * Residues marked with a * may have inaccurate shift predictions.