NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 D 4.6613 8.2076 119.5596 53.6025 42.1940 176.5453 32 T 4.7519 7.8421 106.7090 60.4458 68.8411 173.1766 33 D 4.8760 8.5909 122.7882 54.9799 44.2883 177.7991 34 Q 4.1911 7.3839 116.9326 54.7091 29.0142 174.3356 35 P 4.1795 0.0000 0.0000 63.6325 31.8053 175.2860 36 I 4.5450 8.2619 123.3414 60.5453 38.4573 176.0390 37 H 4.8750 8.5873 123.8362 54.0159 28.7191 172.3743 38 I 4.2472 7.6445 120.6802 61.0118 38.5381 175.8172 39 E 4.9436 8.6994 122.2097 54.8987 32.8901 172.9720 40 S 4.7759 8.8663 120.6113 58.1162 63.3746 174.8911 41 D 4.8150 9.2353 117.3292 55.3064 43.1368 175.4264 42 Q 4.8208 9.0038 118.1482 56.1566 31.8515 177.2132 43 Q 5.0771 7.8757 117.7716 58.1194 30.0011 173.7939 44 S 4.3835 7.9910 117.9881 57.4350 65.7718 174.3838 45 L 4.3878 8.1217 126.2591 54.6248 42.1861 172.6038 46 D 4.3464 8.1349 113.9637 56.1347 44.1150 176.5318 47 M 4.6777 9.0563 125.1099 54.8275 33.0367 173.9217 48 Q 4.3136 8.2796 116.9594 57.9400 30.1485 182.7024 49 G 3.8071 10.9609 102.4879 45.0891 0.0000 173.4763 50 N 4.8314 8.3984 117.6369 53.7295 41.3363 173.4665 51 V 4.6864 8.2508 117.6683 60.9664 34.1047 175.0146 52 V 4.4238 8.4367 128.1652 61.2991 32.9149 174.2886 53 T 4.5450 8.3566 124.9492 63.2524 70.0293 173.7040 54 F 5.1139 9.3784 123.6447 56.0318 42.7299 174.3694 55 T 4.8334 9.3038 118.7880 60.7617 72.2678 173.2757 56 G 3.8147 7.6074 115.7807 46.3045 0.0000 174.9402 57 N 4.7148 8.1590 114.4225 51.4962 36.0419 171.5157 58 V 4.0564 7.8806 122.3518 62.9907 33.6339 175.4809 59 I 5.0160 8.8205 128.1047 59.7026 41.2806 174.2613 60 V 4.6559 8.5718 127.7007 59.9321 33.6215 175.1264 61 T 4.8655 7.7322 113.3296 59.9936 72.7422 172.8858 62 Q 4.4660 8.1065 119.4274 58.3650 32.3206 175.3157 63 G 3.9365 9.3331 116.5336 47.0590 0.0000 173.7477 64 T 4.4095 8.9678 112.4595 61.4978 70.4056 175.3165 65 I 4.1324 8.0473 126.1209 62.6449 38.4848 177.2178 66 K 4.1849 8.2897 124.8765 55.1252 35.2070 174.2660 67 I 4.2246 8.4187 128.3595 58.8445 39.3987 174.7261 68 N 5.5400 8.2665 123.1443 51.7291 41.8736 173.7002 69 A 4.7716 8.4535 122.5215 51.8527 23.3398 176.1211 70 D 4.7602 9.6825 117.8268 55.6560 43.2119 177.4741 71 K 4.7942 7.9693 119.5691 55.1744 35.9263 174.6255 72 V 5.0346 8.9675 127.6169 61.2420 34.3693 174.3344 73 V 4.9181 9.1354 121.7870 59.9058 34.2327 174.9675 74 V 4.9139 8.4543 120.1267 60.0430 33.6896 175.4381 75 T 5.0440 8.4803 114.4111 59.6830 72.2514 172.9829 76 R 5.2185 7.8425 119.4649 54.1555 28.7603 173.1420 77 P 4.5164 0.0000 0.0000 63.5922 32.7818 177.6414 *83 K 3.9596 7.7681 122.3175 55.0889 33.1923 180.0592 84 E 4.1324 8.7739 119.6678 56.6260 28.7445 176.5954 85 V 4.5823 8.3841 124.5328 59.8746 33.8040 174.6019 86 I 4.0050 8.6549 129.6012 61.4450 38.5701 175.5811 87 D 4.7728 8.8912 125.2292 52.8386 44.1899 175.1006 88 G 4.2778 8.2937 110.2262 45.7584 0.0000 170.4760 89 Y 5.4842 8.4720 116.8651 55.6817 42.8723 173.8407 90 G 4.3625 8.6309 106.2729 44.6207 0.0000 173.7143 91 K 4.3586 8.5702 122.4245 53.9303 32.4081 173.6292 92 P 5.1292 0.0000 0.0000 59.6127 33.2519 174.9432 93 A 4.4258 8.5399 125.0912 52.1627 19.8353 177.0218 94 T 4.9413 8.6601 113.1070 60.5106 72.1547 172.9221 95 F 4.9801 8.6372 121.8464 57.4305 42.4943 172.6970 96 Y 5.0327 7.8181 122.9664 56.6340 43.0497 173.5940 97 Q 4.4794 7.2272 126.7048 56.0029 33.1626 173.3589 98 M 4.5846 8.6039 127.1226 54.3632 32.6343 172.2638 99 Q 4.6448 8.4034 122.3496 52.9678 31.5667 176.4819 100 D 4.4766 8.3385 121.5791 57.8031 40.9402 178.3668 101 N 4.4481 8.0682 113.7872 53.5040 37.6062 175.2489 102 G 3.8317 8.9338 110.0692 46.8072 0.0000 173.9281 103 K 4.6927 7.7284 121.6049 52.1627 35.7220 177.1298 104 P 4.6672 0.0000 0.0000 62.9662 31.3211 178.2499 105 V 4.3619 8.0186 122.1214 61.3111 33.6717 175.8868 106 E 4.6320 8.1151 123.8428 55.6646 31.8190 175.4361 107 G 4.7874 7.8866 101.6830 46.3413 0.0000 171.4731 108 H 5.3296 8.5872 115.2070 55.0092 32.2781 172.6844 109 A 4.7698 8.9769 120.9873 52.8282 22.6869 175.5438 110 S 4.5969 9.2665 107.2521 60.1998 64.4822 173.7519 111 Q 4.4005 7.8092 119.9587 54.5873 30.6591 174.5431 112 M 4.7922 7.9324 125.7575 53.9754 31.5288 174.4341 113 H 4.3987 8.9006 119.3124 56.8621 31.5604 173.4570 114 Y 5.1571 9.2542 128.5608 55.8978 40.9084 174.2648 115 E 5.0161 9.1224 125.8161 54.2572 33.2169 176.1480 116 L 4.4697 8.4635 121.5899 54.7769 43.2070 176.7340 117 A 4.3890 8.3215 123.4879 52.8781 21.2561 179.6919 118 K 4.1433 7.6686 113.8655 52.6603 28.2978 179.1284 119 D 4.7104 9.3538 115.0267 56.0588 37.4134 173.1345 120 F 4.7917 8.1189 123.0035 56.9367 42.3313 174.9642 121 V 4.8896 8.1654 125.2956 59.8017 34.6142 172.0186 122 V 4.5773 9.4081 127.8409 60.1624 33.7464 174.3180 123 L 5.3578 8.6661 127.7461 53.4544 44.4630 175.7625 124 T 4.8816 8.2411 118.0753 62.7817 73.6940 170.6898 125 G 3.8026 9.0199 115.7537 46.3113 0.0000 172.3939 126 N 4.0689 8.3074 123.1962 53.9928 35.5296 173.5950 127 A 4.3143 8.4791 121.9040 52.0721 20.8269 176.6848 128 Y 4.7208 8.1151 119.7095 57.3959 43.1817 174.1311 129 L 4.3063 8.0442 128.4507 52.8630 44.2734 173.2675 130 Q 3.8972 7.6878 126.8635 55.6297 30.2285 174.1356 131 Q 4.4952 7.9698 124.3516 56.2570 31.6618 174.6326 132 V 3.9511 8.6831 117.7165 62.5823 32.2171 173.1985 133 D 4.7864 7.9951 114.8014 55.8598 43.3867 176.2923 134 S 4.5329 8.0472 113.4062 57.6439 63.9577 174.1894 135 N 4.6245 7.7740 117.7639 53.9133 39.3028 174.1011 136 I 4.0043 7.7986 125.1881 61.1033 37.9521 178.8038 137 K 4.7418 7.0190 119.1119 55.0421 35.2817 175.4816 138 G 4.2287 8.1260 121.1443 45.3675 0.0000 172.1850 139 D 5.0591 9.2637 126.6249 54.2351 42.6119 177.0210 140 K 5.4547 7.6471 121.4019 56.2842 34.6567 178.7037 141 I 4.5140 7.9060 124.3234 60.1720 36.8595 175.1868 142 T 4.9498 8.7840 119.7831 59.4241 70.6225 173.4199 143 Y 4.8161 8.6726 127.2627 55.6130 42.6801 174.5431 144 L 4.4584 6.6330 128.0944 54.6830 44.2523 177.3360 145 V 3.5333 8.2222 126.8282 63.2190 32.2283 175.5263 146 K 4.1025 8.0749 121.4766 58.9728 31.9876 183.8916 147 E 4.2759 8.1288 115.9385 55.6444 30.0509 179.9763 148 Q 3.6268 7.6291 116.3238 56.6697 26.8023 179.7259 149 K 4.3774 7.1370 120.3018 56.8744 32.9174 180.7602 150 M 5.1139 8.2843 119.1193 54.5367 36.4273 174.1387 151 Q 4.7454 9.2054 119.2001 54.9752 34.2208 173.4704 152 A 5.5551 7.9329 119.8421 51.6278 22.1567 175.6848 153 F 4.9529 8.9738 118.2252 55.6134 43.6983 173.9229 154 S 5.0153 8.6895 114.6813 56.7623 65.6910 173.6409 155 D 4.6161 8.7368 124.2549 53.5884 41.9614 176.8155 156 K 4.0710 8.3808 121.9721 55.9269 31.4616 175.2067 157 G 3.8190 10.3355 117.5847 45.4183 0.0000 173.4936 158 K 4.4181 7.6663 118.8563 54.0445 35.4922 177.4012 159 R 4.7124 8.4186 119.6321 53.8201 33.3347 174.0329 160 V 4.3581 7.9958 115.1157 62.6560 32.7188 175.1754 161 T 4.1994 8.4471 126.0577 63.7957 69.4865 173.9207 162 T 4.8436 8.4849 122.6995 61.7762 71.7846 173.8413 163 V 4.5197 8.1838 117.7095 59.3536 35.2442 174.6996 164 L 4.8428 8.7028 128.4151 54.0586 43.8417 176.3119 165 V 4.4499 8.6614 126.0093 59.6274 33.0095 171.1835 166 P 4.6201 0.0000 0.0000 64.0496 32.8582 175.4779 167 S 4.2709 7.9068 116.7647 58.0210 62.6619 173.9628 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 31 D 8.21 4.66 0.00 2.62 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 32 T 7.84 4.75 4.58 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 1.32 0.00 0.00 33 D 8.59 4.88 0.00 2.66 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 34 Q 7.38 4.19 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 35 P 0.00 4.18 0.00 2.18 2.11 0.00 3.58 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 2.14 2.17 0.00 36 I 8.26 4.55 1.85 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 1.32 0.35 0.80 0.00 0.00 37 H 8.59 4.87 0.00 3.00 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.64 4.25 1.42 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.26 -0.17 0.00 0.00 39 E 8.70 4.94 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 40 S 8.87 4.78 0.00 4.03 3.56 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 41 D 9.24 4.82 0.00 2.82 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 42 Q 9.00 4.82 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.07 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 43 Q 7.88 5.08 0.00 1.44 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 44 S 7.99 4.38 0.00 3.81 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 45 L 8.12 4.39 0.00 1.50 1.51 0.92 0.97 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 46 D 8.13 4.35 0.00 2.67 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 47 M 9.06 4.68 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.06 0.00 48 Q 8.28 4.31 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 49 G 10.96 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 0.00 0.00 0.00 50 N 8.40 4.83 0.00 2.82 2.72 0.00 0.00 7.09 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 51 V 8.25 4.69 2.10 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 0.87 0.00 0.00 0.96 0.00 0.00 52 V 8.44 4.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 53 T 8.36 4.54 4.21 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 1.24 0.00 0.00 54 F 9.38 5.11 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 9.30 4.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 G 7.61 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 0.00 0.00 0.00 57 N 8.16 4.71 0.00 2.80 2.66 0.00 0.00 6.87 7.10 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 58 V 7.88 4.06 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 0.87 0.00 0.00 1.10 0.00 0.00 59 I 8.82 5.02 1.83 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 1.28 0.87 0.84 0.00 0.00 60 V 8.57 4.66 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 0.60 0.00 0.00 0.68 0.00 0.00 61 T 7.73 4.87 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 1.13 0.00 0.00 62 Q 8.11 4.47 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.91 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 63 G 9.33 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 64 T 8.97 4.41 4.33 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 1.25 0.00 0.00 65 I 8.05 4.13 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.56 0.00 0.00 66 K 8.29 4.18 0.00 1.39 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.26 7.81 67 I 8.42 4.22 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.29 0.88 0.00 0.00 68 N 8.27 5.54 0.00 2.73 2.67 0.00 0.00 6.27 6.98 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 69 A 8.45 4.77 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 9.68 4.76 0.00 2.78 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 71 K 7.97 4.79 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.50 7.81 72 V 8.97 5.03 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 0.92 0.00 0.00 0.91 0.00 0.00 73 V 9.14 4.92 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 0.94 0.00 0.00 1.16 0.00 0.00 74 V 8.45 4.91 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 0.89 0.00 0.00 1.17 0.00 0.00 75 T 8.48 5.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 76 R 7.84 5.22 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 77 P 0.00 4.52 0.00 2.22 2.15 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 *83 K 7.77 3.96 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 84 E 8.77 4.13 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.83 0.00 85 V 8.38 4.58 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 0.94 0.00 0.00 0.97 0.00 0.00 86 I 8.65 4.01 1.97 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 1.23 0.42 0.84 0.00 0.00 87 D 8.89 4.77 0.00 2.87 2.57 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 88 G 8.29 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.47 5.48 0.00 2.93 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 90 G 8.63 4.36 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 0.00 91 K 8.57 4.36 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 92 P 0.00 5.13 0.00 2.18 2.07 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 93 A 8.54 4.43 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 94 T 8.66 4.94 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 1.27 0.00 0.00 95 F 8.64 4.98 0.00 3.10 2.96 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 96 Y 7.82 5.03 0.00 3.14 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 97 Q 7.23 4.48 0.00 2.44 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 98 M 8.60 4.58 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.13 0.00 99 Q 8.40 4.64 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 100 D 8.34 4.48 0.00 2.62 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 0.00 101 N 8.07 4.45 0.00 2.83 2.94 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 0.00 102 G 8.93 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 0.00 103 K 7.73 4.69 0.00 1.40 1.62 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.01 7.81 104 P 0.00 4.67 0.00 1.96 2.10 0.00 3.66 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 2.13 2.23 0.00 105 V 8.02 4.36 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 0.65 0.00 0.00 0.93 0.00 0.00 106 E 8.12 4.63 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 1.87 0.00 107 G 7.89 4.79 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 0.00 108 H 8.59 5.33 0.00 3.39 3.44 0.00 5.28 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 0.00 109 A 8.98 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 9.27 4.60 0.00 3.96 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 0.00 111 Q 7.81 4.40 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.01 0.00 0.00 0.00 0.00 0.00 2.12 1.66 0.00 112 M 7.93 4.79 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 113 H 8.90 4.40 0.00 3.31 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 9.25 5.16 0.00 3.14 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 0.00 115 E 9.12 5.02 0.00 1.88 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 2.27 2.34 0.00 116 L 8.46 4.47 0.00 1.82 1.70 1.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.32 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.67 4.14 0.00 1.89 1.24 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.21 0.98 7.81 119 D 9.35 4.71 0.00 2.80 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 0.00 120 F 8.12 4.79 0.00 2.96 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 0.00 121 V 8.17 4.89 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 0.67 0.00 0.00 0.93 0.00 0.00 122 V 9.41 4.58 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 0.90 0.00 0.00 1.17 0.00 0.00 123 L 8.67 5.36 0.00 1.61 1.52 0.75 0.32 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 0.00 124 T 8.24 4.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 125 G 9.02 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 0.00 0.00 0.00 126 N 8.31 4.07 0.00 3.00 2.85 0.00 0.00 6.92 7.54 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 0.00 127 A 8.48 4.31 1.26 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 0.00 0.00 128 Y 8.12 4.72 0.00 3.05 2.57 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 0.00 129 L 8.04 4.31 0.00 1.29 1.49 0.92 0.45 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 0.00 130 Q 7.69 3.90 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 131 Q 7.97 4.50 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.85 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 132 V 8.68 3.95 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 0.79 0.00 0.00 0.93 0.00 0.00 133 D 8.00 4.79 0.00 2.80 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 0.00 134 S 8.05 4.53 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.77 4.62 0.00 2.75 2.72 0.00 0.00 7.03 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 0.00 136 I 7.80 4.00 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 1.09 0.56 0.91 0.00 0.00 137 K 7.02 4.74 0.00 1.30 1.60 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 0.96 7.81 138 G 8.13 4.23 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 0.00 139 D 9.26 5.06 0.00 2.72 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 0.00 140 K 7.65 5.45 0.00 1.39 1.64 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.82 7.81 141 I 7.91 4.51 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 1.40 0.54 0.91 0.00 0.00 142 T 8.78 4.95 4.54 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 1.34 0.00 0.00 143 Y 8.67 4.82 0.00 2.63 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 0.00 144 L 6.63 4.46 0.00 1.15 1.11 0.87 1.01 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 0.00 145 V 8.22 3.53 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 0.76 0.00 0.00 0.93 0.00 0.00 146 K 8.07 4.10 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 147 E 8.13 4.28 0.00 1.88 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 2.26 1.86 0.00 148 Q 7.63 3.63 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 149 K 7.14 4.38 0.00 1.53 1.72 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.30 7.81 150 M 8.28 5.11 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.88 0.00 151 Q 9.21 4.75 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 152 A 7.93 5.56 1.15 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 0.00 0.00 153 F 8.97 4.95 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.69 5.02 0.00 4.08 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 0.00 155 D 8.74 4.62 0.00 2.70 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 0.00 156 K 8.38 4.07 0.00 1.77 1.63 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 157 G 10.34 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 0.00 0.00 0.00 158 K 7.67 4.42 0.00 1.73 1.52 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.96 7.81 159 R 8.42 4.71 0.00 1.77 1.70 0.00 3.18 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 1.43 1.14 0.00 160 V 8.00 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 1.01 0.00 0.00 0.96 0.00 0.00 161 T 8.45 4.20 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 1.23 0.00 0.00 162 T 8.48 4.84 4.21 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 1.16 0.00 0.00 163 V 8.18 4.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.00 0.00 0.00 164 L 8.70 4.84 0.00 1.61 1.52 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.66 4.45 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 0.79 0.00 0.00 0.93 0.00 0.00 166 P 0.00 4.62 0.00 2.15 2.17 0.00 3.77 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 1.90 1.92 0.00 167 S 7.91 4.27 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 * Residues marked with a * may have inaccurate shift predictions.