NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.6848 8.4244 118.2021 52.7949 37.9935 174.4876 16 L 4.0262 8.7299 121.5621 53.1172 42.1159 174.8228 17 N 4.0317 8.5977 125.9772 52.9574 38.9622 174.5505 18 I 4.0716 8.3196 119.8591 61.8069 38.5425 177.1911 19 A 4.1303 7.9581 124.4664 54.5521 18.7580 176.9789 20 Y 4.3512 7.5105 115.9062 59.2335 39.0230 175.8241 21 A 3.3834 8.2639 128.0943 52.5942 16.9122 177.5574 22 K 4.2728 7.6082 116.6376 55.7965 33.1472 175.2804 23 P 4.5331 0.0000 0.0000 63.2827 32.2376 175.6144 24 T 5.0214 8.3436 112.6982 60.2113 72.1738 172.6141 25 T 4.8916 8.4497 112.2878 60.5704 73.3184 171.9746 26 Q 4.2708 8.0188 118.7728 54.5879 31.8503 175.4125 27 S 3.3584 7.2842 114.3117 61.0185 63.3891 174.2296 28 S 4.4316 7.0036 112.8473 57.6925 64.9085 174.3490 29 V 4.7378 8.1351 118.9975 59.9052 33.9687 174.3909 30 D 4.5863 8.3679 120.3917 53.7331 44.2692 174.5085 31 Y 3.7066 8.7564 119.0074 59.1334 35.4489 170.2584 32 N 4.2690 8.5712 112.6783 54.3869 36.8430 176.1299 33 G 4.1116 8.1456 108.8564 44.3291 0.0000 173.9140 34 D 4.7565 7.7472 121.1598 53.8359 42.4026 176.6280 35 P 4.8665 0.0000 0.0000 65.3647 31.2753 178.2599 36 N 4.5936 8.2923 116.1349 55.3444 36.9462 176.8984 37 R 4.0571 8.0087 119.7155 58.3851 30.3675 177.5161 38 A 4.5565 8.0296 119.0623 52.3731 18.7044 178.0518 39 V 4.8233 7.9087 111.5499 61.1974 32.9302 176.4804 40 D 4.7872 8.6665 117.5552 53.2143 39.6857 177.1800 41 G 3.8270 9.0049 108.8775 45.4186 0.0000 172.8912 42 N 4.7494 8.1120 118.4235 51.7983 39.8501 174.4900 43 R 3.8410 8.3293 124.1211 56.4178 30.6586 176.3785 44 N 4.1143 8.2081 117.6249 54.4427 39.1175 174.5278 45 G 3.9212 8.5771 112.2524 44.7045 0.0000 172.2707 46 N 4.8918 7.8425 120.1570 52.5390 39.3880 174.8987 47 F 3.9202 9.4956 129.6431 61.5566 39.5004 176.7749 48 N 4.5780 8.1354 115.7756 55.0640 38.5440 176.1338 49 S 4.0778 7.8578 112.8881 59.5125 63.3304 175.5355 50 G 3.6515 7.8923 108.5753 45.3452 0.0000 173.4540 51 S 4.7189 7.4394 111.9595 57.7962 62.9297 173.7882 52 V 4.7104 7.2181 118.3496 61.7882 33.9152 175.3108 53 T 4.5856 8.7496 118.1764 62.1213 71.0776 172.8972 54 H 5.1744 9.1481 119.4441 55.8252 33.8002 173.2493 55 T 5.0280 8.3059 116.1989 59.2795 71.2915 174.0373 56 R 4.1651 8.6550 121.3787 55.5381 31.6883 177.2482 57 A 4.5840 8.2161 122.4736 51.9947 16.2489 176.7120 58 D 4.6362 8.5393 123.1620 52.8648 43.8333 175.9129 59 N 5.3408 8.6253 114.3461 49.9308 38.2131 172.2169 60 P 4.9483 0.0000 0.0000 60.7531 34.4748 176.0143 61 S 4.5212 8.3298 114.3120 58.4375 64.0486 173.7149 62 W 5.7708 8.2667 119.3532 55.4974 32.0073 173.0636 63 W 5.7610 9.7582 129.5786 56.2310 34.2673 173.1608 64 E 5.0736 8.6358 125.6033 54.5898 33.2154 173.9378 65 V 4.4234 8.1285 125.4050 59.7942 34.3861 173.9331 66 D 4.9822 8.5396 123.4161 52.6803 42.2585 175.8746 67 L 4.1531 8.8461 126.2348 55.3437 42.1300 178.8270 68 K 4.1355 10.3147 119.0254 55.9986 31.1328 175.9825 69 K 4.5403 7.2962 116.0882 55.3746 36.3369 175.2344 70 M 4.3848 8.5192 120.8881 56.3047 32.6395 175.3547 71 D 4.7925 9.0110 122.0718 52.9763 45.9853 173.0616 72 K 5.0941 8.6034 116.8695 54.5929 35.5539 175.5598 73 V 4.3265 8.9352 125.4113 61.1704 33.6982 174.9510 74 G 4.2212 9.4847 116.9978 46.1511 0.0000 175.8857 75 L 4.7964 7.5954 128.2451 54.9112 43.4576 174.3800 76 V 5.0033 9.4096 126.2890 61.1654 34.4571 174.0070 77 K 5.0122 9.4810 127.9318 54.7426 34.8764 175.0745 78 I 4.8175 8.7416 126.6499 59.7750 39.7717 174.1030 79 Y 5.0221 8.9928 125.6808 56.2140 39.9230 175.2713 80 N 4.8529 8.9785 123.6240 52.5660 40.2766 174.5896 81 R 4.2654 8.5692 123.4336 57.2834 30.2077 176.1461 82 T 4.5340 8.9324 114.4836 62.0287 70.8314 175.8810 83 D 4.4520 8.1476 120.1495 55.1331 40.0795 175.7218 84 A 4.2347 7.9511 119.3663 52.2822 21.7511 174.6053 85 E 4.1082 8.5998 115.3566 56.3685 27.5768 177.5659 86 T 4.0211 7.8344 109.5174 64.1801 69.4534 176.2301 87 Q 4.2056 8.0368 119.8835 58.3244 28.9873 178.4255 88 R 3.8722 7.6843 117.6706 59.1418 30.1563 177.1803 89 L 4.1850 7.1781 119.8081 53.3775 40.2281 175.3954 90 S 4.8291 8.2016 115.6370 57.3190 66.4410 174.3905 91 N 4.3446 9.1093 118.7788 54.7595 37.3750 172.6782 92 F 5.5605 8.3394 114.0148 55.3749 42.5322 175.1701 93 D 5.4795 9.2378 119.7458 52.8155 43.8160 175.5171 94 V 5.0378 8.9267 121.9696 61.3781 34.2273 174.3464 95 I 4.9266 9.0097 128.5360 59.4599 40.9559 174.2792 96 L 5.0057 8.3997 126.4333 53.3154 43.8897 175.1654 97 Y 5.3943 8.8323 120.5266 56.3620 42.1447 175.9446 98 D 4.6781 8.7523 122.3696 52.3646 41.7030 176.3190 99 N 4.4713 8.7521 116.2457 56.2107 39.0214 175.5657 100 N 4.8423 8.3677 113.4244 52.6343 38.9151 174.4854 101 R 3.8979 8.0825 115.4126 57.1861 28.3792 176.1889 102 N 4.6033 8.3810 115.4131 52.7012 39.1993 174.5672 103 E 4.2714 8.8766 124.0033 56.4412 30.1324 176.4445 104 V 4.4591 8.3251 118.6569 61.6252 34.0383 175.4675 105 A 4.7007 7.5673 120.0474 51.1186 22.5507 174.9988 106 K 5.0572 8.4592 119.4170 55.3194 35.4529 175.2146 107 K 4.7344 9.3947 125.7458 54.8836 36.1163 174.4795 108 H 5.2979 8.8058 123.1891 54.4500 32.2135 173.5827 109 V 3.9240 8.0191 124.7200 61.3522 33.6000 175.3780 110 N 4.4883 8.7335 126.1937 55.2780 39.0329 174.6783 111 N 5.3016 7.6376 113.4909 51.1530 40.6209 173.5802 112 L 4.4522 8.3076 119.4019 54.0742 42.8885 177.5506 113 S 4.3902 8.8307 117.9714 60.4990 64.4094 174.3336 114 G 4.1568 7.5756 110.7219 45.5169 0.0000 173.5657 115 E 4.6010 8.7617 121.8870 56.8279 30.7134 175.3962 116 S 5.0752 7.6284 112.8942 57.1354 66.1030 173.8161 117 V 4.5525 8.5226 119.5626 60.0028 34.6051 174.4824 118 S 5.2925 8.6639 118.1660 56.8213 65.5939 173.3864 119 L 4.7156 9.1209 123.8327 52.8222 45.4864 175.0908 120 D 5.2510 8.4644 122.3256 52.7255 42.6581 175.3779 121 F 4.4327 9.3626 125.0375 56.6222 39.4129 176.3312 122 K 4.1364 9.1429 119.2181 57.7667 29.7880 175.2332 123 E 3.9119 8.5559 111.9237 57.1113 27.6509 175.3492 124 K 4.1004 7.8840 118.5437 56.5135 33.2712 176.6780 125 G 4.0356 8.7245 112.0880 46.3533 0.0000 172.5297 126 A 4.7052 8.8830 125.9166 51.3686 22.8627 176.2717 127 R 4.2632 9.0286 119.4855 56.1872 32.5539 175.6383 128 Y 5.3361 7.8726 115.1370 56.0490 41.8811 174.9237 129 I 4.9696 8.6466 123.2852 59.5015 40.5842 174.2332 130 K 5.2108 9.3587 129.1181 54.6077 35.1058 174.7312 131 V 5.0133 9.3929 127.5809 61.2697 33.6876 174.1395 132 K 5.2264 9.3195 129.6635 54.4332 34.9358 175.2155 133 L 4.6125 8.8339 128.3926 55.0956 41.8008 177.5290 134 L 4.3304 9.0509 122.6400 55.6135 42.2925 176.7957 135 T 4.4430 7.7392 116.0706 61.8885 68.8740 174.9238 136 S 4.3116 8.4486 122.8636 59.5452 63.6322 175.0705 137 G 3.9647 9.3241 110.5969 45.5224 0.0000 173.2297 138 V 4.4321 7.3957 118.5839 59.8828 33.5641 173.7054 139 P 4.6480 0.0000 0.0000 62.2120 32.5486 175.3637 140 L 4.5415 8.7378 125.6267 53.7796 43.6674 175.2128 141 S 5.4827 8.4841 121.8030 55.6654 65.9056 173.3849 142 L 4.6141 8.7322 124.3341 52.7466 44.0146 177.5924 143 A 3.9723 8.9629 126.3380 54.8707 19.0742 177.3681 144 E 4.7165 7.4565 112.0292 55.5467 33.0630 175.1517 145 V 4.9298 8.9408 125.7120 61.3030 34.0170 174.3568 146 E 4.9526 9.5118 127.8589 54.6101 32.5301 175.2845 147 V 4.8638 8.5155 122.6594 61.1844 35.0272 174.2222 148 F 5.4088 9.1846 125.6542 55.8122 42.2576 176.6414 149 R 5.0417 9.2206 119.1682 57.4819 30.6949 175.7186 150 E 4.5910 7.8801 116.8264 55.3560 32.9072 176.2407 *151 S 4.2554 8.5375 114.0103 58.5976 63.0531 169.6351 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 15 N 8.42 4.68 0.00 2.96 2.79 0.00 0.00 6.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.73 4.03 0.00 1.77 1.71 0.97 0.63 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 17 N 8.60 4.03 0.00 2.64 2.67 0.00 0.00 6.92 7.82 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 18 I 8.32 4.07 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.97 0.00 0.00 19 A 7.96 4.13 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 20 Y 7.51 4.35 0.00 2.95 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 21 A 8.26 3.38 0.59 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 0.00 0.00 22 K 7.61 4.27 0.00 1.87 1.89 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.64 7.81 23 P 0.00 4.53 0.00 2.04 1.94 0.00 3.70 0.00 0.00 3.77 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 24 T 8.34 5.02 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 1.27 0.00 0.00 25 T 8.45 4.89 4.34 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 1.22 0.00 0.00 26 Q 8.02 4.27 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 27 S 7.28 3.36 0.00 3.52 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 28 S 7.00 4.43 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.14 4.74 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 0.73 0.00 0.00 1.06 0.00 0.00 30 D 8.37 4.59 0.00 2.54 2.33 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 31 Y 8.76 3.71 0.00 3.20 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 32 N 8.57 4.27 0.00 2.97 2.94 0.00 0.00 7.09 7.65 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 33 G 8.15 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 0.00 0.00 0.00 34 D 7.75 4.76 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.87 0.00 2.33 2.56 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 36 N 8.29 4.59 0.00 2.99 3.15 0.00 0.00 6.30 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.01 4.06 0.00 1.90 2.04 0.00 3.18 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 38 A 8.03 4.56 0.95 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 39 V 7.91 4.82 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 1.11 0.00 0.00 1.10 0.00 0.00 40 D 8.67 4.79 0.00 2.83 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 41 G 9.00 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 42 N 8.11 4.75 0.00 2.66 2.83 0.00 0.00 7.16 6.95 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 43 R 8.33 3.84 0.00 1.63 1.53 0.00 3.13 0.00 0.00 2.92 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.27 0.00 44 N 8.21 4.11 0.00 2.80 2.71 0.00 0.00 7.03 7.56 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 45 G 8.58 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 46 N 7.84 4.89 0.00 2.77 2.71 0.00 0.00 6.77 7.71 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 47 F 9.50 3.92 0.00 3.04 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 48 N 8.14 4.58 0.00 2.76 2.86 0.00 0.00 6.92 7.57 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 49 S 7.86 4.08 0.00 3.95 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 50 G 7.89 3.65 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 0.00 0.00 0.00 51 S 7.44 4.72 0.00 3.79 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 52 V 7.22 4.71 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 1.03 0.00 0.00 0.98 0.00 0.00 53 T 8.75 4.59 4.52 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 1.33 0.00 0.00 54 H 9.15 5.17 0.00 3.56 3.52 0.00 5.58 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 55 T 8.31 5.03 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 1.25 0.00 0.00 56 R 8.66 4.17 0.00 1.90 1.88 0.00 3.05 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 57 A 8.22 4.58 1.24 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 0.00 0.00 0.00 58 D 8.54 4.64 0.00 2.65 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 59 N 8.63 5.34 0.00 2.59 2.75 0.00 0.00 7.21 8.02 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 60 P 0.00 4.95 0.00 2.43 2.16 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 61 S 8.33 4.52 0.00 3.88 3.80 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 0.00 0.00 0.00 62 W 8.27 5.77 0.00 3.63 3.24 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 0.00 63 W 9.76 5.76 0.00 3.39 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.64 5.07 0.00 2.08 1.68 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 2.17 2.40 0.00 65 V 8.13 4.42 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 0.80 0.00 0.00 0.98 0.00 0.00 66 D 8.54 4.98 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.85 4.15 0.00 1.54 1.60 0.87 0.49 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 68 K 10.31 4.14 0.00 1.81 2.09 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.29 7.81 69 K 7.30 4.54 0.00 1.68 1.80 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.37 7.81 70 M 8.52 4.38 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 71 D 9.01 4.79 0.00 2.60 2.45 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 72 K 8.60 5.09 0.00 1.70 1.69 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.35 7.81 73 V 8.94 4.33 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 0.99 0.00 0.00 0.90 0.00 0.00 74 G 9.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.60 4.80 0.00 2.10 1.83 0.94 0.81 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 76 V 9.41 5.00 2.42 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 1.22 0.00 0.00 1.19 0.00 0.00 77 K 9.48 5.01 0.00 1.99 1.55 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.71 7.81 78 I 8.74 4.82 1.93 0.00 0.00 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 1.29 1.11 0.81 0.00 0.00 79 Y 8.99 5.02 0.00 2.98 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 80 N 8.98 4.85 0.00 2.69 2.71 0.00 0.00 7.18 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.57 4.27 0.00 1.85 1.80 0.00 3.18 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 82 T 8.93 4.53 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 1.27 0.00 0.00 83 D 8.15 4.45 0.00 2.80 2.86 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 84 A 7.95 4.23 1.16 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 0.00 0.00 85 E 8.60 4.11 0.00 2.04 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 2.24 2.09 0.00 86 T 7.83 4.02 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 1.26 0.00 0.00 87 Q 8.04 4.21 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 88 R 7.68 3.87 0.00 1.88 2.16 0.00 3.08 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 89 L 7.18 4.19 0.00 1.60 1.57 0.06 0.70 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 90 S 8.20 4.83 0.00 4.20 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 91 N 9.11 4.34 0.00 2.98 2.90 0.00 0.00 7.03 7.27 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 92 F 8.34 5.56 0.00 3.30 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 93 D 9.24 5.48 0.00 2.75 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 94 V 8.93 5.04 2.42 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 1.22 0.00 0.00 1.28 0.00 0.00 95 I 9.01 4.93 1.77 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.32 0.00 0.00 96 L 8.40 5.01 0.00 1.35 1.38 -0.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.83 5.39 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.75 4.68 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.75 4.47 0.00 2.69 2.91 0.00 0.00 6.74 7.79 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 0.00 100 N 8.37 4.84 0.00 2.76 2.80 0.00 0.00 6.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.08 3.90 0.00 1.80 1.67 0.00 2.82 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.30 0.00 102 N 8.38 4.60 0.00 3.10 2.78 0.00 0.00 6.70 6.99 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 0.00 103 E 8.88 4.27 0.00 1.94 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 2.16 1.98 0.00 104 V 8.33 4.46 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 0.80 0.00 0.00 0.97 0.00 0.00 105 A 7.57 4.70 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 0.00 106 K 8.46 5.06 0.00 1.82 1.65 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.51 7.81 107 K 9.39 4.73 0.00 1.76 1.54 0.00 0.71 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.19 1.21 7.81 108 H 8.81 5.30 0.00 3.15 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.02 3.92 0.67 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 0.75 0.00 0.00 0.59 0.00 0.00 110 N 8.73 4.49 0.00 2.61 2.77 0.00 0.00 6.64 6.92 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 0.00 111 N 7.64 5.30 0.00 2.77 2.75 0.00 0.00 6.02 7.79 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 0.00 112 L 8.31 4.45 0.00 1.69 1.84 1.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.83 4.39 0.00 3.97 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 0.00 114 G 7.58 4.16 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 0.00 0.00 0.00 115 E 8.76 4.60 0.00 1.98 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 2.37 2.32 0.00 116 S 7.63 5.08 0.00 3.27 3.36 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 0.00 117 V 8.52 4.55 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 1.08 0.00 0.00 0.92 0.00 0.00 118 S 8.66 5.29 0.00 3.71 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 0.00 119 L 9.12 4.72 0.00 1.60 1.22 1.05 0.63 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 0.00 120 D 8.46 5.25 0.00 2.62 2.48 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 0.00 121 F 9.36 4.43 0.00 3.26 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 0.00 122 K 9.14 4.14 0.00 1.92 1.89 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.53 7.81 123 E 8.56 3.91 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 124 K 7.88 4.10 0.00 1.84 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.68 7.81 125 G 8.72 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 0.00 0.00 0.00 126 A 8.88 4.71 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 0.00 127 R 9.03 4.26 0.00 1.61 1.48 0.00 2.88 0.00 0.00 2.91 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 128 Y 7.87 5.34 0.00 3.08 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 0.00 129 I 8.65 4.97 1.99 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 1.00 0.82 1.00 0.00 0.00 130 K 9.36 5.21 0.00 1.97 1.85 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.52 1.59 7.81 131 V 9.39 5.01 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 0.86 0.00 0.00 1.20 0.00 0.00 132 K 9.32 5.23 0.00 2.00 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 133 L 8.83 4.61 0.00 1.70 1.69 1.02 1.03 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 0.00 134 L 9.05 4.33 0.00 1.76 1.74 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.74 4.44 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 1.25 0.00 0.00 136 S 8.45 4.31 0.00 3.92 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 0.00 137 G 9.32 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 0.00 138 V 7.40 4.43 2.11 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 0.87 0.00 0.00 0.96 0.00 0.00 139 P 0.00 4.65 0.00 1.99 2.31 0.00 3.77 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 140 L 8.74 4.54 0.00 1.78 1.54 0.80 0.70 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 0.00 141 S 8.48 5.48 0.00 3.65 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 0.00 142 L 8.73 4.61 0.00 1.04 1.15 0.20 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.96 3.97 1.36 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 0.00 0.00 144 E 7.46 4.72 0.00 1.85 1.49 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 1.94 2.22 0.00 145 V 8.94 4.93 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 1.04 0.00 0.00 0.35 0.00 0.00 146 E 9.51 4.95 0.00 2.24 1.74 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 2.28 2.38 0.00 147 V 8.52 4.86 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 1.06 0.00 0.00 1.01 0.00 0.00 148 F 9.18 5.41 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 9.22 5.04 0.00 1.88 2.04 0.00 3.24 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 150 E 7.88 4.59 0.00 2.16 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 0.00 2.28 2.51 0.00 *151 S 8.54 4.26 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.