NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4264 8.3049 120.3206 54.8432 33.4691 174.6096 2 D 4.2751 8.4045 118.7786 54.4021 41.2697 175.2096 3 K 4.2072 9.1151 122.9826 56.6412 33.7949 176.4183 4 K 4.3575 7.8861 122.9631 55.1927 34.7152 175.5155 5 T 5.1378 8.9184 118.7054 61.8599 72.0716 172.8383 6 I 4.8796 8.8902 126.3472 59.2815 41.2791 173.5718 7 Y 5.3834 8.3835 129.1026 56.0500 41.8356 174.0863 8 F 5.0649 9.3475 127.6620 56.3537 40.3112 175.2020 9 I 5.4521 8.3665 117.8157 58.8906 40.3867 176.4337 *11 T 4.1651 8.5942 119.6721 63.0000 70.6666 175.7084 12 G 4.2455 7.6462 104.8177 43.6775 0.0000 171.8103 13 N 4.8752 7.7660 115.9160 53.6446 37.5610 173.4194 14 S 4.9259 8.1676 113.1822 58.7153 64.4243 173.5959 15 A 4.6312 7.3895 120.2013 52.9622 21.3409 177.8304 16 R 3.8860 8.0734 113.0228 59.3074 30.4268 179.5490 17 S 4.1448 8.0121 113.3678 61.3324 63.1572 176.4178 18 Q 4.0739 7.8876 121.3262 59.0814 28.5626 178.2067 19 M 3.9771 8.4289 119.8768 58.1284 31.8848 178.7047 20 A 3.7175 7.8772 121.1693 54.7716 18.3471 179.3476 21 E 4.0715 8.1662 118.1688 59.2164 29.2896 179.2717 22 G 3.5168 8.2269 105.8768 47.6644 0.0000 175.8245 23 W 4.4900 8.3125 122.0927 59.2601 29.0516 178.8065 24 G 3.8458 8.6185 106.2031 47.9353 0.0000 175.8361 25 K 4.0568 8.2751 120.9058 59.1203 31.8654 179.1722 26 E 3.9901 7.7052 117.1729 59.3173 29.7083 178.6113 27 I 4.0402 8.0381 118.8306 64.4037 37.5085 178.1354 28 L 4.0847 7.9714 118.6815 55.6821 42.0602 178.0362 29 G 3.9835 8.1365 106.0396 44.5128 0.0000 173.4283 30 E 4.2195 8.6401 116.7416 58.2024 29.7010 178.1952 31 G 3.9310 8.1835 107.3192 45.7781 0.0000 172.8858 32 W 5.2946 8.0030 118.9135 54.8047 32.9520 174.4955 33 N 4.6311 9.2442 121.4093 51.8262 39.8947 174.2164 34 V 4.6553 8.1163 123.8453 61.5724 33.3087 173.8787 35 Y 5.4553 8.7654 125.5572 56.4010 41.8039 175.0483 36 S 5.4105 8.8503 113.8870 57.4121 66.3208 172.8479 37 A 4.8766 8.8501 122.9265 51.1111 23.4461 174.7594 38 G 4.3276 9.0765 105.7544 44.4393 0.0000 173.7740 39 I 4.0001 8.4631 119.9201 63.0586 38.7989 175.0520 40 E 4.9379 8.7313 120.7126 54.4538 34.3083 174.9229 41 T 4.6503 8.4367 110.3767 60.8142 70.1617 173.6023 42 H 4.6921 9.3234 123.4390 55.0851 29.7145 176.4620 43 G 4.0026 8.0455 104.7157 45.1556 0.0000 172.6790 44 V 4.0799 7.9171 118.9144 61.4492 32.1255 175.3862 45 N 4.3615 9.1004 127.1335 53.3847 39.4956 173.6124 46 P 4.2085 0.0000 0.0000 65.8060 31.4282 178.7816 47 K 3.7879 8.1439 116.6571 58.7031 31.8295 179.2972 48 A 4.2514 7.6869 121.4761 55.0054 18.3420 179.7566 49 I 3.6237 7.6017 117.9889 64.5047 37.3674 178.1208 50 E 3.9456 8.2905 119.9977 59.1856 27.9348 178.7171 51 A 4.2719 8.5626 121.0049 55.4737 18.3763 179.5236 52 M 4.0649 8.1053 117.0942 58.0581 32.0543 178.8179 53 K 3.9663 8.1870 119.9921 59.4172 32.1086 178.4560 54 E 4.1692 8.1543 118.3051 58.2461 29.4967 178.1306 55 V 4.3545 6.7581 108.9958 60.3552 32.7501 175.0796 56 D 4.4022 7.9965 116.1044 55.6233 38.7637 173.7767 57 I 4.2020 7.7204 119.1645 59.3701 39.2646 175.0511 58 D 4.5639 8.6008 125.7510 53.2131 41.2180 175.3448 59 I 4.1628 7.9378 119.4429 60.4200 37.8940 177.4825 60 S 4.2040 8.1300 116.5605 60.9057 62.8562 174.5538 61 N 4.7702 7.8905 116.6500 53.3098 38.9228 174.8169 62 H 4.5624 7.9858 116.3945 55.7855 29.4182 174.7280 63 T 4.6017 8.1699 111.1584 59.8267 71.3145 173.6089 64 S 4.7128 8.5096 117.5260 57.3739 62.7618 172.8901 65 D 5.1601 9.4334 127.9957 52.4310 44.0855 175.8877 66 L 4.8855 8.3420 120.3419 53.8596 43.2206 176.8382 67 I 3.9258 8.0029 122.4627 61.7350 37.7644 175.1434 68 D 4.9277 9.2356 126.6836 52.2827 42.9639 176.7261 69 N 4.4441 8.8216 124.2398 56.5041 37.1571 176.7463 70 D 4.5156 8.3856 119.3272 56.2040 40.8168 178.1603 71 I 4.1612 7.5256 120.1452 62.9336 37.3294 178.0229 72 L 4.1363 7.7831 118.7492 57.9959 41.7616 178.8594 73 K 4.1346 7.9879 116.4443 58.6264 32.1003 177.8861 74 Q 4.5085 7.2303 115.0564 55.5148 29.5676 176.1265 75 S 4.4068 7.6067 114.5577 58.5628 63.4730 173.9781 76 D 4.6696 8.7376 123.1311 56.6459 41.7655 177.0502 77 L 4.6422 7.7926 119.5396 53.8351 45.9576 174.0517 78 V 4.6520 8.7471 126.5997 61.0996 33.9223 174.1747 79 V 4.4765 8.3446 128.7953 61.1411 33.3680 174.2922 80 T 4.7933 8.6289 119.3154 61.0652 70.0340 175.2261 81 L 5.0396 8.8174 123.9514 53.9057 43.7058 175.7788 82 C 4.3891 8.1811 119.9061 55.3468 44.4184 172.5598 83 S 4.2421 8.9720 122.4097 58.9187 61.8967 174.6608 84 D 4.3553 8.0783 128.5441 55.5395 39.5172 177.5346 85 A 4.6121 7.6463 119.7699 51.5681 21.6499 176.2309 86 D 3.9644 7.7341 109.3316 57.5058 40.7755 176.9539 87 N 4.3539 8.9552 109.0819 53.9697 43.5858 174.1372 88 N 4.0602 8.7539 119.5049 54.6655 37.3262 174.5633 89 C 4.7305 7.6391 115.0134 54.6196 42.2163 172.7458 90 P 4.3303 0.0000 0.0000 63.0259 31.2672 175.7798 91 I 4.0801 8.2052 122.8498 60.4548 37.5826 175.2198 92 L 4.5121 8.2186 125.8252 52.6633 42.8668 175.1461 93 P 4.4915 0.0000 0.0000 61.4170 32.1121 174.5088 94 P 4.3729 0.0000 0.0000 63.7220 31.8536 177.0594 95 N 4.2748 8.7010 114.5992 53.6456 36.6519 174.7128 96 V 3.9003 7.3032 119.1148 60.4073 32.3444 175.9503 97 K 4.2230 8.7360 124.7296 56.6187 32.6973 176.0047 98 K 5.6669 8.4537 123.2704 54.3969 36.1091 175.3782 99 E 4.8321 8.4215 118.8270 55.3514 34.4342 173.3539 100 H 5.3591 8.8738 122.4102 53.7102 31.5693 173.6352 101 W 4.6004 8.9490 126.5417 54.8818 31.1635 175.3932 102 G 3.7500 8.1304 114.8739 44.2427 0.0000 172.3016 103 F 4.9096 8.1952 122.6289 55.3219 43.0472 174.4789 104 D 4.4277 8.6660 123.7639 54.2109 41.2450 175.8337 105 D 4.4230 8.5249 123.1287 53.5320 41.4432 174.2105 106 P 4.1304 0.0000 0.0000 62.6441 31.8302 175.6884 107 A 4.2092 7.7188 123.1453 54.3130 18.3612 178.1539 108 G 3.9520 9.1692 110.5891 45.7265 0.0000 173.1254 109 K 4.5217 7.8044 119.0535 54.3020 34.2675 175.8188 110 E 4.3954 8.4044 119.1072 55.8717 30.2132 178.2346 111 W 4.6167 8.9709 129.7139 60.7465 30.5504 178.1446 112 S 4.0625 8.2969 113.9800 61.4364 62.3367 176.2211 113 E 3.9808 8.3756 122.1360 59.0393 29.0678 179.2119 114 F 3.9766 8.2059 117.6669 60.3747 39.2361 177.6470 115 Q 3.7984 8.0191 117.8557 58.6502 28.5439 178.7302 116 R 3.8023 8.0141 119.7540 59.5527 30.1983 178.8576 117 V 3.5661 7.6747 118.0725 65.7142 31.4758 177.8333 118 R 3.9773 8.2168 118.8420 59.7586 29.9489 178.2943 119 D 4.2854 8.0267 117.9358 56.9371 40.7670 178.6685 120 E 3.9731 7.9016 119.2167 59.3292 29.4821 179.2946 121 I 3.2382 7.4505 119.9380 63.6894 36.9896 178.1792 122 K 2.5595 7.3727 120.4936 59.1355 31.7154 178.5662 123 L 3.8936 7.3438 119.6691 57.9514 41.9580 178.7110 124 A 3.7095 7.8278 120.7858 55.1985 18.3149 179.7348 125 I 4.0877 7.9227 118.3310 64.4266 36.9865 178.4879 126 E 3.9721 8.0336 118.8668 59.4126 29.2528 179.2816 127 K 4.0919 8.2971 118.7745 59.0901 32.1925 179.1996 128 F 4.1941 8.1631 121.1530 61.2761 39.1459 177.0756 129 K 3.7409 7.9949 117.9025 58.9897 31.9659 177.6589 130 L 4.4452 7.0221 116.3662 54.5185 41.7371 176.9363 131 R 4.0477 7.5057 124.0504 56.5808 29.9456 176.4515 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 1 M 8.30 4.43 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 2 D 8.40 4.28 0.00 2.67 2.54 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 3 K 9.12 4.21 0.00 1.56 1.62 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 K 7.89 4.36 0.00 0.79 0.74 0.00 0.82 0.00 0.00 1.19 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.96 0.82 7.81 5 T 8.92 5.14 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 1.19 0.00 0.00 6 I 8.89 4.88 1.85 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 1.05 0.85 0.00 0.00 7 Y 8.38 5.38 0.00 2.90 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 8 F 9.35 5.06 0.00 3.08 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 9 I 8.37 5.45 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.43 0.09 0.00 0.00 *11 T 8.59 4.17 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 1.27 0.00 0.00 12 G 7.65 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 0.00 0.00 0.00 0.00 13 N 7.77 4.88 0.00 2.78 2.80 0.00 0.00 7.12 7.63 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 14 S 8.17 4.93 0.00 3.95 3.87 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 15 A 7.39 4.63 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 3.89 0.00 1.90 2.03 0.00 3.30 0.00 0.00 3.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 17 S 8.01 4.14 0.00 4.10 4.15 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 18 Q 7.89 4.07 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 19 M 8.43 3.98 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 20 A 7.88 3.72 0.35 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 21 E 8.17 4.07 0.00 2.27 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 0.00 2.34 2.57 0.00 22 G 8.23 3.52 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 0.00 0.00 0.00 23 W 8.31 4.49 0.00 3.34 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 24 G 8.62 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 25 K 8.28 4.06 0.00 1.88 1.92 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.61 7.81 26 E 7.71 3.99 0.00 2.02 2.28 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 2.48 2.50 0.00 27 I 8.04 4.04 2.05 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 1.62 0.94 0.94 0.00 0.00 28 L 7.97 4.08 0.00 1.68 1.16 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.14 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.64 4.22 0.00 2.02 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 2.36 2.36 0.00 31 G 8.18 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 32 W 8.00 5.29 0.00 3.32 3.11 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 33 N 9.24 4.63 0.00 2.33 1.81 0.00 0.00 6.37 7.44 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 34 V 8.12 4.66 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 1.12 0.00 0.00 1.07 0.00 0.00 35 Y 8.77 5.46 0.00 3.10 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 36 S 8.85 5.41 0.00 4.01 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 37 A 8.85 4.88 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 38 G 9.08 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 0.00 0.00 0.00 0.00 39 I 8.46 4.00 1.85 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 1.34 0.84 0.96 0.00 0.00 40 E 8.73 4.94 0.00 1.91 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 0.00 2.22 2.21 0.00 41 T 8.44 4.65 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 1.23 0.00 0.00 42 H 9.32 4.69 0.00 3.17 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.05 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 44 V 7.92 4.08 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 0.81 0.00 0.00 1.00 0.00 0.00 45 N 9.10 4.36 0.00 2.92 2.87 0.00 0.00 6.75 7.41 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 46 P 0.00 4.21 0.00 2.07 2.00 0.00 3.60 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 2.06 2.14 0.00 47 K 8.14 3.79 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.44 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.12 7.81 48 A 7.69 4.25 1.48 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 0.00 0.00 49 I 7.60 3.62 1.96 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 1.48 1.05 0.86 0.00 0.00 50 E 8.29 3.95 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 51 A 8.56 4.27 1.50 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 0.00 0.00 52 M 8.11 4.06 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 53 K 8.19 3.97 0.00 1.94 2.00 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 54 E 8.15 4.17 0.00 2.44 2.24 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 2.37 2.49 0.00 55 V 6.76 4.35 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 0.98 0.00 0.00 0.76 0.00 0.00 56 D 8.00 4.40 0.00 2.83 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 57 I 7.72 4.20 1.43 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.48 0.69 0.00 0.00 58 D 8.60 4.56 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.94 4.16 1.36 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 0.68 0.00 0.00 60 S 8.13 4.20 0.00 4.01 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 61 N 7.89 4.77 0.00 2.76 2.91 0.00 0.00 6.98 8.16 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 62 H 7.99 4.56 0.00 3.27 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.17 4.60 4.31 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 1.23 0.00 0.00 64 S 8.51 4.71 0.00 3.88 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 65 D 9.43 5.16 0.00 2.60 2.54 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 66 L 8.34 4.89 0.00 1.54 1.60 0.93 0.92 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 67 I 8.00 3.93 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.57 0.98 0.00 0.00 68 D 9.24 4.93 0.00 2.65 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 69 N 8.82 4.44 0.00 2.78 2.87 0.00 0.00 7.15 8.08 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 70 D 8.39 4.52 0.00 2.87 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 71 I 7.53 4.16 1.46 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 0.11 0.00 0.00 72 L 7.78 4.14 0.00 1.88 1.81 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.99 4.13 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 74 Q 7.23 4.51 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 75 S 7.61 4.41 0.00 4.03 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 76 D 8.74 4.67 0.00 2.77 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 77 L 7.79 4.64 0.00 1.87 1.45 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.75 4.65 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 0.79 0.00 0.00 1.03 0.00 0.00 79 V 8.34 4.48 1.18 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 0.16 0.00 0.00 -0.47 0.00 0.00 80 T 8.63 4.79 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 1.17 0.00 0.00 81 L 8.82 5.04 0.00 1.60 1.88 0.99 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.18 4.39 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.97 4.24 0.00 3.94 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 84 D 8.08 4.36 0.00 2.76 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 85 A 7.65 4.61 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.73 3.96 0.00 2.76 2.54 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 87 N 8.96 4.35 0.00 2.68 2.65 0.00 0.00 7.01 8.00 0.00 0.00 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 N 8.75 4.06 0.00 2.75 2.78 0.00 0.00 7.03 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 89 C 7.64 4.73 0.00 2.99 2.98 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 90 P 0.00 4.33 0.00 2.13 2.03 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 91 I 8.21 4.08 1.87 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 1.41 0.43 0.91 0.00 0.00 92 L 8.22 4.51 0.00 1.62 1.59 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.49 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 94 P 0.00 4.37 0.00 2.22 2.18 0.00 3.83 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 1.99 0.00 95 N 8.70 4.27 0.00 2.91 2.99 0.00 0.00 6.96 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 96 V 7.30 3.90 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 0.75 0.00 0.00 1.03 0.00 0.00 97 K 8.74 4.22 0.00 1.86 1.86 0.00 1.65 0.00 0.00 2.11 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.48 7.81 98 K 8.45 5.67 0.00 1.67 1.71 0.00 1.16 0.00 0.00 2.37 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.30 7.81 99 E 8.42 4.83 0.00 1.89 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 0.00 2.45 2.42 0.00 100 H 8.87 5.36 0.00 3.13 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.95 4.60 0.00 3.32 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 0.00 102 G 8.13 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.20 4.91 0.00 3.02 2.89 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 0.00 104 D 8.67 4.43 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.52 4.42 0.00 2.64 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 0.00 106 P 0.00 4.13 0.00 0.49 1.60 0.00 3.62 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 1.43 1.43 0.00 107 A 7.72 4.21 1.44 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 0.00 108 G 9.17 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 0.00 109 K 7.80 4.52 0.00 1.93 1.83 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.51 7.81 110 E 8.40 4.40 0.00 2.14 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 2.48 2.37 0.00 111 W 8.97 4.62 0.00 3.34 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 0.00 112 S 8.30 4.06 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.38 3.98 0.00 2.20 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 2.35 2.49 0.00 114 F 8.21 3.98 0.00 3.33 3.17 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 0.00 115 Q 8.02 3.80 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 116 R 8.01 3.80 0.00 1.94 2.02 0.00 3.08 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 1.73 1.61 0.00 117 V 7.67 3.57 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 0.82 0.00 0.00 1.02 0.00 0.00 118 R 8.22 3.98 0.00 2.11 2.19 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 119 D 8.03 4.29 0.00 2.71 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 0.00 120 E 7.90 3.97 0.00 2.20 2.26 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 2.36 2.53 0.00 121 I 7.45 3.24 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.36 0.74 0.00 0.00 122 K 7.37 2.56 0.00 0.79 1.33 0.00 1.00 0.00 0.00 1.16 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.68 0.21 7.81 123 L 7.34 3.89 0.00 1.62 1.66 0.82 1.34 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 0.00 124 A 7.83 3.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.92 4.09 1.90 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 2.02 1.32 1.08 0.00 0.00 126 E 8.03 3.97 0.00 1.98 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 2.27 2.31 0.00 127 K 8.30 4.09 0.00 1.89 1.78 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.47 7.81 128 F 8.16 4.19 0.00 3.38 3.43 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 0.00 129 K 7.99 3.74 0.00 1.90 1.96 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 130 L 7.02 4.45 0.00 1.61 1.63 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.51 4.05 0.00 1.74 1.79 0.00 3.16 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.