NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3311 8.4444 120.2268 56.5874 30.3832 173.8026 3 Q 4.2130 8.1080 123.0201 55.5640 32.4519 172.5871 4 R 4.7269 7.3610 118.2976 53.5767 34.4609 176.2972 5 S 4.2811 8.4667 115.5695 58.4882 64.7849 175.3014 6 A 3.9778 8.5498 124.5274 55.5729 18.0853 179.8178 7 E 3.8938 8.0984 117.1510 59.6202 29.7900 178.9222 8 T 3.8741 7.9331 115.8456 66.8648 68.5314 176.8843 9 R 3.9729 8.0690 119.8879 59.0324 30.0329 179.3053 10 I 3.6822 7.7982 119.8443 64.3227 37.0919 178.4633 11 V 3.6050 7.8852 119.1015 66.2482 31.3191 177.9414 12 E 3.9500 8.4216 118.0113 59.2754 29.2383 179.2375 13 A 4.0165 8.0685 120.9738 55.0800 18.3484 179.7060 14 L 3.9595 8.0612 117.5549 57.9074 41.6237 179.7327 15 L 4.1657 8.1818 119.1230 57.9078 41.3185 179.4717 16 E 4.0136 8.0160 117.6793 59.1766 29.4793 178.6948 17 R 4.2547 7.7860 115.0834 55.5267 30.1996 176.5608 18 R 4.0231 7.8099 116.6058 57.4594 28.0832 177.3875 19 R 4.2854 8.1676 116.4769 57.1390 30.5700 176.6565 20 L 4.9958 7.4993 116.3477 52.8447 45.9233 175.4900 21 K 4.7223 8.8436 119.8053 54.3123 35.3510 177.2113 22 D 4.4021 8.7626 120.7308 58.2586 40.5209 179.4761 23 T 3.9138 7.9368 115.4356 66.7237 68.3629 176.0604 24 D 4.3893 8.2008 120.8058 57.5130 40.7985 178.9681 25 L 4.0278 7.8505 118.9004 57.5941 41.7158 179.2335 26 L 4.0432 7.8848 118.8067 57.7523 41.4640 179.6620 27 R 3.8728 7.9130 118.0996 59.3154 30.0363 178.0102 28 A 3.9995 8.1388 120.8513 55.7019 18.2608 179.9489 29 R 4.0491 8.1995 117.6379 58.6294 30.0793 179.1341 30 Q 4.2151 8.2072 120.8189 58.7986 28.9279 178.2622 31 L 4.0112 7.9662 118.8099 57.9765 41.5383 179.3008 32 Q 4.0741 8.4067 117.9929 58.7728 28.2567 178.6306 33 A 3.9679 7.9500 121.9068 55.3332 18.2708 179.4755 34 E 3.9964 8.0381 114.9957 58.5385 29.5587 179.2325 35 S 4.3903 7.6386 113.9033 58.4468 63.9869 171.6633 36 G 3.4476 7.4109 112.9105 45.5475 0.0000 173.3745 *38 G 3.7889 7.7675 111.1974 44.2252 0.0000 170.0285 39 L 3.9340 8.1738 122.0095 58.0902 42.2508 179.2553 40 L 3.8555 7.7756 118.0607 57.7372 41.6039 179.4239 41 A 3.9819 7.9445 120.2174 55.0569 18.4156 179.3244 42 L 3.9142 8.0981 118.9250 58.1939 42.1897 179.0459 43 L 4.0675 8.2064 119.3151 57.6125 41.4395 179.7619 44 G 3.5470 8.2167 105.6885 47.9805 0.0000 175.8343 45 R 3.8932 7.7617 120.3344 58.6784 30.1772 177.8929 46 L 4.2479 7.8803 116.8025 55.2511 41.6843 177.8716 47 G 3.8944 8.0422 107.4474 45.7383 0.0000 174.2410 48 L 4.4185 7.7495 118.0765 54.6187 42.3399 177.0354 49 V 4.3641 7.2605 118.5905 60.1524 34.4992 174.8771 50 S 4.3973 8.5642 122.2744 58.0121 65.1254 174.7154 51 E 3.9551 8.8058 122.7336 59.9648 29.0757 179.9057 52 R 3.8859 7.8681 117.9565 59.5220 30.3058 178.1487 53 D 4.3434 8.2832 118.7968 57.3271 40.7041 178.2307 54 H 4.1667 8.4119 118.6572 59.2001 29.9307 177.1967 55 A 3.8627 8.1568 122.5858 55.3258 18.2921 179.4476 56 E 3.9499 8.4059 117.3276 59.9787 29.5164 179.8674 57 T 4.0074 8.0375 115.7698 66.4437 68.5025 176.8092 58 C 4.1650 8.3597 118.6391 62.7936 28.1661 175.7272 59 A 4.0020 8.0581 122.2485 55.3668 17.9655 179.3495 60 E 3.8596 8.2011 117.5492 59.4264 29.5342 179.1954 61 V 3.7115 7.7232 117.0508 65.8522 31.7873 177.3311 62 L 4.3716 7.8973 115.6308 54.1344 41.9164 176.8780 63 G 3.9222 7.4601 105.5676 46.6476 0.0000 173.6932 64 L 4.8523 7.8346 118.5384 51.9615 44.0284 175.2872 65 P 4.5559 0.0000 0.0000 62.7996 33.0732 174.6078 66 L 5.1104 8.4868 123.3703 53.5271 43.7810 175.3130 67 V 4.4062 8.8795 127.2935 61.0194 33.2178 174.9606 68 D 4.6648 8.7389 127.2458 53.6580 42.1081 176.7890 69 A 4.0199 9.1913 128.5396 55.2714 18.5764 179.9551 70 R 4.0797 8.2524 113.7335 58.5850 30.1529 177.3587 71 Q 4.3528 7.7605 116.0105 55.6468 28.8119 175.2556 72 L 4.7544 7.3473 117.5268 52.5996 44.8359 176.6258 73 G 4.0275 8.5075 109.8311 45.2653 0.0000 173.1006 74 D 5.0652 8.5795 117.0847 54.2570 41.7134 176.6752 75 T 4.2184 7.2807 108.6577 58.1020 71.6352 171.9581 76 P 2.0000 0.0000 0.0000 61.3039 31.6446 174.5149 77 P 4.2901 0.0000 0.0000 62.0483 32.0198 175.6998 78 E 4.1057 8.1002 119.0327 56.0215 30.4821 176.6326 *80 L 4.1156 8.0747 119.0233 54.0302 43.1814 176.2243 81 P 4.2145 0.0000 0.0000 66.6698 31.7178 178.6423 82 E 4.9825 8.0083 115.2472 56.3265 29.6305 181.1320 83 V 3.9387 7.8941 121.4557 63.8784 32.5029 179.6982 84 Q 4.3111 7.9517 117.0282 56.6303 28.5009 182.1781 85 G 4.0002 8.8325 105.9317 45.8026 0.0000 173.5335 86 L 4.4217 7.0577 118.9772 52.4446 42.0530 176.9486 87 S 4.3222 8.2158 119.3089 57.9090 65.1477 174.7467 88 L 3.9580 8.4535 124.7396 58.2246 41.8528 179.3371 89 R 3.8679 8.0044 118.3724 59.3797 30.2191 178.0889 90 F 4.1708 8.2723 120.3054 61.3186 39.3909 177.0070 91 L 4.0278 8.0302 118.2732 57.8068 41.1693 179.7840 92 K 3.9207 8.0098 118.3957 59.4115 31.8031 179.2307 93 Q 3.6922 7.8087 118.7611 58.1111 28.9383 177.3573 94 F 4.4266 7.1181 114.7542 55.8210 41.2379 175.0861 95 H 4.0471 7.4420 114.7427 56.0718 26.3203 173.3136 96 L 5.0970 7.9275 117.2818 54.9058 44.4737 176.8763 97 C 4.8635 9.1814 120.3231 57.5566 35.3960 171.3241 98 P 4.9231 0.0000 0.0000 62.8081 31.4422 176.4280 99 V 4.9628 9.9130 116.4440 59.7527 33.4904 175.6670 100 G 4.4169 7.3156 111.8951 46.2356 0.0000 171.5897 101 E 5.5544 8.2549 119.3425 53.5258 32.6333 176.5117 102 R 4.4739 8.3219 123.6375 55.0510 31.7367 173.7759 103 D 4.6660 8.2380 120.0921 55.5856 44.3552 177.7616 104 G 3.7073 7.9749 108.2211 48.0608 0.0000 173.8915 105 R 4.4223 7.8497 119.6748 55.5278 31.8495 175.7214 106 L 4.4823 8.7945 126.6573 54.4632 43.2439 175.6381 107 D 5.0450 8.9815 128.0626 54.5998 41.9482 175.2230 108 L 5.0088 9.3287 126.7801 52.9241 44.8614 174.6970 109 W 5.4491 9.2018 135.0000 56.4940 32.4352 174.7470 110 I 4.7855 9.0499 126.9962 59.4538 40.6509 175.5662 111 A 4.1567 8.4021 130.2530 53.2899 19.2106 177.5116 112 D 4.5508 7.6662 115.3401 51.5350 40.9600 174.3922 113 P 4.3297 0.0000 0.0000 64.1302 31.9136 177.6404 114 Y 4.4124 7.1039 116.1252 57.8241 38.8762 175.9243 115 D 4.6217 7.3907 122.7194 53.0504 39.6547 175.8873 116 D 4.4254 8.3145 124.8179 55.7058 39.5190 177.8210 117 Y 3.9125 8.1437 120.5402 60.7698 38.9827 177.9396 118 A 3.6713 8.1074 121.0691 54.9072 18.3690 179.7383 119 I 3.6726 7.7114 118.5366 64.6666 37.1849 178.4332 120 D 4.3981 8.3588 119.7791 57.0075 40.5722 178.6435 121 A 3.7266 7.6289 121.5823 54.9033 18.1279 179.8905 122 V 3.4125 7.5707 116.6049 65.8803 31.6331 178.2281 123 R 3.8800 8.2652 118.3814 59.3180 29.7255 178.7631 124 L 3.7972 7.5533 118.0349 58.2396 42.2765 178.6116 125 A 3.9832 7.6691 119.1669 54.7277 18.6165 178.5807 126 T 4.4450 7.2923 112.2077 60.6782 67.7693 175.6060 127 G 3.9464 7.5836 106.7668 45.9695 0.0000 172.7282 128 L 4.7248 7.0902 117.0651 51.8249 44.0580 174.5937 129 P 4.6219 0.0000 0.0000 62.7513 32.9007 174.9127 130 L 5.2659 8.4097 120.5579 53.0816 44.8309 175.6068 131 L 4.7477 8.9080 121.7724 52.9919 44.6067 175.3532 132 L 5.0258 8.4693 123.6950 53.6277 43.4989 175.5950 133 H 5.1572 9.6543 121.2062 53.8272 32.2483 173.2082 134 V 4.3344 8.9442 124.3154 62.9180 32.5296 175.1247 135 G 4.3013 8.3751 113.1442 43.8314 0.0000 171.8019 136 L 4.0933 8.2306 119.7443 54.3136 42.4720 178.5653 137 R 3.6795 8.6290 122.7122 59.6613 29.8263 179.1064 138 S 4.0187 8.4397 114.0513 61.3990 63.0974 176.1813 139 E 3.9316 8.0040 121.7061 59.2188 29.1836 179.3629 140 I 3.1859 6.9951 119.4008 64.2134 37.2295 178.1824 141 D 4.3402 8.0709 119.8735 57.3718 40.5093 178.7174 142 D 4.3052 8.3689 119.7120 57.1823 40.8508 178.2312 143 L 3.6966 7.9072 120.8420 58.2909 41.8802 178.9820 144 I 3.8275 7.7733 119.3987 64.6191 36.8986 178.0078 145 E 3.9837 7.8208 118.0033 59.1674 29.5136 178.5126 146 R 4.0667 8.0013 117.9402 59.5455 30.3377 178.3843 147 W 4.3151 8.3656 117.8291 58.9899 29.0363 175.9815 148 Y 4.6010 8.2542 120.6496 58.2026 38.2774 175.0151 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 E 8.44 4.33 0.00 1.98 1.96 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 2.21 2.31 0.00 3 Q 8.11 4.21 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 4 R 7.36 4.73 0.00 1.80 1.79 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 5 S 8.47 4.28 0.00 4.04 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 6 A 8.55 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.10 3.89 0.00 2.05 1.96 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 2.38 2.40 0.00 8 T 7.93 3.87 4.41 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 1.22 0.00 0.00 9 R 8.07 3.97 0.00 2.02 1.98 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 10 I 7.80 3.68 2.01 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 1.41 0.97 0.91 0.00 0.00 11 V 7.89 3.61 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 1.11 0.00 0.00 0.96 0.00 0.00 12 E 8.42 3.95 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 13 A 8.07 4.02 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 14 L 8.06 3.96 0.00 1.93 1.73 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 4.17 0.00 1.88 1.72 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.02 4.01 0.00 2.09 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 2.35 2.49 0.00 17 R 7.79 4.25 0.00 1.80 1.96 0.00 3.47 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 18 R 7.81 4.02 0.00 1.95 2.01 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 19 R 8.17 4.29 0.00 1.88 1.97 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 20 L 7.50 5.00 0.00 1.57 1.51 0.93 0.90 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 21 K 8.84 4.72 0.00 1.78 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.53 7.81 22 D 8.76 4.40 0.00 2.69 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 23 T 7.94 3.91 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 24 D 8.20 4.39 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.85 4.03 0.00 1.91 1.74 0.94 0.67 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 26 L 7.88 4.04 0.00 1.76 1.77 0.93 0.66 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 27 R 7.91 3.87 0.00 1.91 2.11 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 28 A 8.14 4.00 1.38 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 0.00 0.00 29 R 8.20 4.05 0.00 2.08 2.01 0.00 3.25 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 30 Q 8.21 4.22 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 31 L 7.97 4.01 0.00 1.79 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.41 4.07 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 33 A 7.95 3.97 1.17 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 34 E 8.04 4.00 0.00 1.94 1.96 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 2.27 2.52 0.00 35 S 7.64 4.39 0.00 4.01 4.11 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 36 G 7.41 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 0.00 0.00 0.00 *38 G 7.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.17 3.93 0.00 1.68 1.58 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.78 3.86 0.00 1.61 1.53 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.94 3.98 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 42 L 8.10 3.91 0.00 1.83 1.93 0.91 0.53 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 43 L 8.21 4.07 0.00 1.80 1.67 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.22 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 45 R 7.76 3.89 0.00 1.98 1.95 0.00 3.24 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 46 L 7.88 4.25 0.00 1.79 1.69 0.90 0.82 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 47 G 8.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.75 4.42 0.00 1.75 1.70 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.26 4.36 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 0.80 0.00 0.00 0.90 0.00 0.00 50 S 8.56 4.40 0.00 4.08 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 51 E 8.81 3.96 0.00 2.00 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 2.38 2.37 0.00 52 R 7.87 3.89 0.00 1.88 1.92 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 53 D 8.28 4.34 0.00 2.87 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 54 H 8.41 4.17 0.00 3.28 3.45 0.00 5.61 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 55 A 8.16 3.86 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 56 E 8.41 3.95 0.00 2.02 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 2.35 2.67 0.00 57 T 8.04 4.01 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 1.22 0.00 0.00 58 C 8.36 4.17 0.00 3.22 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 59 A 8.06 4.00 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 60 E 8.20 3.86 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 61 V 7.72 3.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.00 0.00 0.00 62 L 7.90 4.37 0.00 1.85 1.73 1.02 1.01 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 63 G 7.46 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 64 L 7.83 4.85 0.00 1.57 1.63 0.95 1.17 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 65 P 0.00 4.56 0.00 2.21 2.24 0.00 3.82 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 2.33 2.06 0.00 66 L 8.49 5.11 0.00 1.70 1.65 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.88 4.41 2.12 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 0.31 0.00 0.00 0.86 0.00 0.00 68 D 8.74 4.66 0.00 2.76 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 69 A 9.19 4.02 1.55 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 70 R 8.25 4.08 0.00 1.89 2.00 0.00 3.17 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 71 Q 7.76 4.35 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 72 L 7.35 4.75 0.00 1.37 1.54 -0.37 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 74 D 8.58 5.07 0.00 2.71 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 75 T 7.28 4.22 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 1.09 0.00 0.00 76 P 0.00 2.00 0.00 1.86 1.52 0.00 3.23 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 77 P 0.00 4.29 0.00 1.99 1.96 0.00 3.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 78 E 8.10 4.11 0.00 1.92 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 0.00 2.26 2.24 0.00 *80 L 8.07 4.12 0.00 1.87 1.63 1.00 0.97 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 81 P 0.00 4.21 0.00 2.08 2.13 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 82 E 8.01 4.98 0.00 1.89 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 2.31 1.83 0.00 83 V 7.89 3.94 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 0.63 0.00 0.00 0.93 0.00 0.00 84 Q 7.95 4.31 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.41 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 85 G 8.83 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 86 L 7.06 4.42 0.00 1.75 1.70 0.98 1.08 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 87 S 8.22 4.32 0.00 4.09 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 88 L 8.45 3.96 0.00 1.76 1.72 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.00 3.87 0.00 1.96 1.98 0.00 3.27 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 90 F 8.27 4.17 0.00 3.32 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 91 L 8.03 4.03 0.00 1.97 1.87 0.91 0.75 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 92 K 8.01 3.92 0.00 1.93 1.79 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 93 Q 7.81 3.69 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 94 F 7.12 4.43 0.00 2.60 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 95 H 7.44 4.05 0.00 3.28 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.93 5.10 0.00 1.84 1.56 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 C 9.18 4.86 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.92 0.00 2.18 2.11 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 99 V 9.91 4.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 100 G 7.32 4.42 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 0.00 101 E 8.25 5.55 0.00 1.82 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 2.23 2.17 0.00 102 R 8.32 4.47 0.00 1.78 1.83 0.00 3.11 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 103 D 8.24 4.67 0.00 2.60 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 0.00 104 G 7.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.85 4.42 0.00 1.93 1.88 0.00 3.39 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 106 L 8.79 4.48 0.00 1.80 1.59 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.98 5.05 0.00 2.86 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 0.00 108 L 9.33 5.01 0.00 1.75 1.56 nan 0.85 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 0.00 109 W 9.20 5.45 0.00 3.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.05 4.79 1.89 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 1.05 1.19 0.97 0.00 0.00 111 A 8.40 4.16 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 0.00 112 D 7.67 4.55 0.00 2.36 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 0.00 113 P 0.00 4.33 0.00 2.20 2.17 0.00 3.79 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 2.08 1.98 0.00 114 Y 7.10 4.41 0.00 3.12 3.18 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 0.00 115 D 7.39 4.62 0.00 2.31 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 0.00 116 D 8.31 4.43 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.14 3.91 0.00 3.13 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 0.00 118 A 8.11 3.67 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 0.00 119 I 7.71 3.67 1.83 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 1.50 0.56 0.89 0.00 0.00 120 D 8.36 4.40 0.00 2.60 2.60 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 0.00 121 A 7.63 3.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.41 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 1.04 0.00 0.00 1.17 0.00 0.00 123 R 8.27 3.88 0.00 1.96 1.94 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 124 L 7.55 3.80 0.00 1.61 1.76 0.86 1.08 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 0.00 125 A 7.67 3.98 1.14 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 0.00 0.00 126 T 7.29 4.45 4.41 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 1.26 0.00 0.00 127 G 7.58 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.09 4.72 0.00 1.76 1.58 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.62 0.00 2.11 2.16 0.00 3.65 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 2.07 1.99 0.00 130 L 8.41 5.27 0.00 1.52 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.91 4.75 0.00 1.52 1.49 1.01 0.64 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 0.00 132 L 8.47 5.03 0.00 1.48 1.59 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.65 5.16 0.00 3.20 3.27 0.00 5.61 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 0.00 134 V 8.94 4.33 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 1.02 0.00 0.00 0.97 0.00 0.00 135 G 8.38 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 0.00 0.00 0.00 0.00 136 L 8.23 4.09 0.00 1.61 1.67 0.90 0.77 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 0.00 137 R 8.63 3.68 0.00 1.75 1.81 0.00 2.99 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 138 S 8.44 4.02 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.00 3.93 0.00 1.99 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 0.00 2.44 2.39 0.00 140 I 7.00 3.19 1.60 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.75 0.00 0.00 141 D 8.07 4.34 0.00 2.77 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 0.00 142 D 8.37 4.31 0.00 2.66 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 0.00 143 L 7.91 3.70 0.00 1.98 1.76 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.77 3.83 2.06 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 1.54 0.74 1.05 0.00 0.00 145 E 7.82 3.98 0.00 2.00 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 2.35 2.40 0.00 146 R 8.00 4.07 0.00 1.96 2.10 0.00 3.33 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 147 W 8.37 4.32 0.00 2.64 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 0.00 0.00 0.00 148 Y 8.25 4.60 0.00 3.15 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 * Residues marked with a * may have inaccurate shift predictions.