NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9246 8.3501 109.7361 45.5771 0.0000 172.6568 7 A 4.5328 8.0850 120.7360 50.1087 21.9609 174.2098 8 R 4.7106 8.9894 121.0574 54.2749 35.1930 173.4088 9 I 4.0546 8.1838 121.8282 60.8178 37.9480 175.3350 10 K 4.6747 8.1194 124.3163 54.3362 35.5810 175.6014 11 T 3.9745 8.2860 119.0252 63.2209 69.0303 174.3045 12 L 4.3510 8.4110 128.7237 55.2294 43.3132 175.6221 13 S 5.2293 8.5184 119.1983 56.9313 66.4262 173.2273 14 V 4.5360 8.7630 121.4904 61.3627 34.4791 174.2742 15 S 5.3015 8.7301 122.7447 57.0318 65.5247 173.9160 16 R 4.6587 8.9102 122.0409 53.5058 33.4758 173.0622 17 P 4.9257 0.0000 0.0000 63.3154 32.2161 175.6785 18 I 5.0068 9.3985 122.3116 59.6971 42.1711 173.3840 19 I 5.4361 9.2935 129.8566 59.8115 39.9707 174.2091 20 Y 5.4215 8.0262 123.6042 55.3995 41.7719 174.5414 21 G 3.3776 6.8473 107.1533 44.9105 0.0000 171.4612 22 N 6.3000 8.7601 119.6696 51.3183 41.3279 174.2337 23 T 5.2482 8.8643 109.5672 60.3359 72.3153 172.7433 24 A 5.3265 9.2157 123.4346 50.6078 23.4999 175.1563 25 K 4.7208 9.4107 121.0990 54.8080 35.6515 176.8826 26 K 3.7698 8.6067 130.9666 55.9556 32.2308 175.1766 *28 G 3.9708 7.9067 102.6950 44.7028 0.0000 173.2962 29 S 4.3508 7.8342 112.7917 58.0130 66.2737 174.7668 30 V 4.0749 7.7433 120.6829 61.0330 31.7592 174.8521 31 K 4.5272 8.3101 126.9969 53.7401 33.4292 174.6803 32 P 4.3156 0.0000 0.0000 62.3506 31.3797 175.0193 33 P 4.2096 0.0000 0.0000 66.0215 31.3136 177.3052 34 N 4.7167 7.8343 115.1438 52.1455 38.7986 174.9370 35 A 4.1312 7.3553 121.4179 50.8584 19.2378 176.8881 36 P 4.0353 0.0000 0.0000 62.6650 31.9406 177.2515 37 A 3.9328 8.5387 125.4011 55.3311 18.3337 178.2797 38 E 4.2997 7.6359 111.8877 57.1917 30.0604 176.6572 39 H 4.4901 7.6426 117.2713 56.1596 29.0258 175.1501 40 T 4.6909 8.8661 112.1550 62.0467 71.4146 173.4468 41 H 5.1909 9.1144 119.1684 53.8458 33.3657 172.0584 42 L 5.1344 9.1117 123.6235 53.3156 44.2643 175.2375 43 W 5.7989 8.7174 121.9109 55.4261 32.4975 173.8298 44 T 5.1394 9.2392 117.0380 62.0922 71.7405 172.7423 45 I 4.8789 8.7962 127.6291 59.6384 40.2065 174.3238 46 F 5.6577 8.4594 122.5309 55.6989 41.7642 173.1388 47 V 5.3320 9.3283 120.5812 61.4322 34.0046 174.7047 48 R 4.9292 9.9682 123.5433 55.2221 33.6845 174.1268 49 G 4.6103 8.7235 106.4120 43.9525 0.0000 171.6813 50 P 4.3105 0.0000 0.0000 63.9832 31.7077 176.5519 51 Q 3.5178 8.9824 117.9465 56.4833 26.1645 172.7562 52 N 4.2845 7.9375 112.7838 54.3596 38.0316 174.3033 53 E 4.2510 7.7911 113.4657 55.2085 30.2095 176.6240 54 D 4.5856 8.6922 120.9557 54.8298 41.8755 176.1494 55 I 4.7998 8.5079 117.4890 60.7179 39.0132 177.0183 56 S 5.3592 8.8083 114.8967 59.9916 63.0970 174.8363 57 Y 4.4584 8.2383 119.5981 59.0221 38.1191 176.4635 58 F 4.9813 7.5435 112.8739 55.8834 39.8569 174.1498 59 I 4.3827 7.1558 123.5565 59.3632 38.4046 176.0010 60 K 4.1373 8.8407 128.2882 58.9789 32.9021 177.0443 61 K 4.7051 7.4032 118.5759 55.1571 35.8104 174.3470 62 V 4.5645 8.5119 126.1413 60.8899 34.3055 174.1117 63 V 4.6065 8.3474 127.9470 61.0132 33.7282 174.4634 64 F 4.9792 9.1075 126.8658 55.6777 41.3817 174.4817 65 K 4.8456 9.1281 126.7732 55.3942 33.0982 176.1843 66 L 4.9667 8.8619 128.6174 53.2067 43.8705 176.1976 67 H 3.9984 8.1147 119.1138 56.5000 29.9239 175.4521 68 D 4.4748 8.2979 124.9401 56.7018 41.2039 177.3429 69 T 3.9965 7.7420 107.8218 64.0982 69.0563 174.0305 70 Y 4.3444 7.7897 120.3971 56.3240 38.8428 173.6277 71 P 4.2998 0.0000 0.0000 64.1154 32.3348 176.4682 72 N 4.1800 8.8745 117.9611 54.0112 35.8397 173.0686 73 P 4.1776 0.0000 0.0000 64.6892 33.2992 177.7142 74 V 4.3549 7.3625 120.7653 62.0347 31.3679 175.1046 75 R 4.4961 9.1586 128.5333 54.6985 31.5657 175.6014 76 S 4.7509 8.6688 120.1369 57.0279 63.6623 173.1862 77 I 4.4711 8.7355 129.3043 59.9337 38.6465 176.1407 78 E 4.5726 8.9805 125.4060 55.9530 30.1719 175.6534 79 A 4.6290 7.4507 120.6282 49.6259 22.1497 174.6574 80 P 3.5120 0.0000 0.0000 61.4400 31.9154 174.6203 81 P 4.2225 0.0000 0.0000 62.9964 32.2397 177.2219 82 F 4.9806 8.4009 121.5249 56.2753 37.3515 173.6554 83 E 5.3790 8.1269 118.7136 55.1644 33.8638 175.3310 84 L 4.4671 8.7781 121.4558 54.3278 45.7149 174.0217 85 T 4.8873 8.3782 123.1016 62.0017 70.3657 173.4237 86 E 4.3071 8.1235 125.9088 55.1895 33.7862 173.5954 87 T 4.8808 7.9550 118.6069 62.5047 70.9709 174.0730 88 G 4.4259 8.8016 110.1470 46.2110 0.0000 173.8519 89 W 5.4669 8.9037 112.3284 54.7181 29.8257 174.9147 90 G 4.2602 8.1729 106.4492 44.2906 0.0000 171.9420 91 E 4.1708 8.5390 120.2805 55.1502 30.7863 175.7516 92 F 4.9802 7.0317 115.7805 55.6990 41.9554 172.8992 93 D 5.0079 8.8954 119.4618 54.3062 41.7672 176.0489 94 I 4.8000 8.7097 123.4814 59.5007 40.4799 174.1645 95 N 4.9700 8.7627 126.3285 53.0234 40.1587 173.7059 96 I 4.3008 8.5733 128.7388 59.7691 38.9824 175.0280 97 K 4.5810 8.6036 127.1864 54.6093 34.2255 175.4255 98 V 4.0388 8.5257 126.7914 61.6048 33.1415 174.0651 99 Y 4.4655 8.7397 126.5960 56.3365 39.4588 175.6700 100 F 5.0713 8.3347 123.0815 56.5187 40.6768 176.0327 101 V 3.7368 8.4526 114.1171 61.9533 32.3626 177.2583 102 E 3.9310 9.2968 124.1738 59.7891 29.3562 179.5591 103 E 4.1258 8.1482 113.1898 58.0692 29.8272 177.7160 104 A 3.2366 7.7603 122.6874 53.0483 18.5766 176.9977 105 N 4.1485 7.5382 112.2124 54.7316 36.7430 173.8489 106 E 4.7495 7.7227 114.5419 54.2786 32.5256 176.7763 107 K 4.2184 8.3013 120.6098 55.6037 33.0186 177.1444 108 V 3.2205 7.8894 120.6240 63.3797 32.1048 175.2292 109 L 4.3390 8.5901 130.7737 54.5792 42.6607 174.9372 110 N 5.2496 8.5602 124.4749 52.3056 40.3476 174.4255 111 F 5.0436 8.2243 116.7196 56.5316 41.8566 171.9653 112 Y 5.3034 8.9702 116.5408 55.5856 40.8760 174.6576 113 H 4.3372 8.9165 120.5728 54.5201 33.6507 172.0265 114 R 4.2572 8.2728 126.7931 55.4437 31.1169 175.4868 115 L 3.9255 8.3567 130.1817 55.0323 42.9939 175.7960 116 R 4.8128 8.4226 125.7267 54.5787 31.7567 175.7776 117 L 4.4117 9.1412 122.7424 55.6232 43.6308 176.7215 118 H 4.9307 7.8408 113.6367 53.1260 30.4380 173.0706 119 P 4.1583 0.0000 0.0000 62.9939 31.7472 175.6029 *144 E 4.2226 8.4118 121.3778 56.0711 30.7405 174.8121 145 V 4.6294 8.1971 125.4782 61.3938 34.0333 174.5214 146 S 5.1167 8.4270 119.7189 56.8979 66.4989 173.5074 147 S 4.4260 9.3508 116.5467 56.6591 64.6917 172.5867 148 V 4.7272 7.9415 125.9601 61.1245 34.8157 173.9561 149 Y 4.5216 8.6475 124.1556 56.1088 41.3445 174.4972 150 F 5.3739 9.0330 126.1859 56.8918 40.1995 173.4229 151 D 5.3273 9.0213 127.6102 52.1681 44.7751 173.6021 152 E 4.9624 8.6093 119.2260 55.3512 32.6826 176.1996 153 I 4.0610 9.0145 128.4767 60.1431 38.5614 174.8967 154 V 4.3495 8.0318 128.1224 61.5243 32.6633 175.1041 155 F 4.5998 9.2657 128.3096 56.2724 40.0706 174.7095 156 N 4.7252 8.9038 123.5614 53.4469 39.6318 174.7650 157 E 3.8369 8.6388 125.6421 56.8035 27.6994 173.5347 158 P 4.5428 0.0000 0.0000 62.4964 32.7124 176.9687 159 N 4.6929 8.6076 118.6424 52.3027 39.7867 175.8106 160 E 3.9530 8.6668 121.0843 59.5173 29.5470 178.6442 161 E 4.0260 8.2663 117.9950 59.6407 29.5979 179.0940 162 F 4.4500 9.0578 120.9925 61.0831 39.1667 176.8389 163 F 3.7910 8.4743 120.2379 60.9470 39.2098 176.6169 164 K 4.0206 7.8377 117.7353 59.6631 32.0956 178.4112 165 I 3.9627 7.2109 118.5373 64.3023 37.0835 179.0451 166 L 3.7093 7.2230 116.1639 55.4881 41.6636 178.4347 *168 S 4.4052 8.0108 113.9993 57.8204 64.9028 173.8310 169 R 4.0484 7.4777 124.2710 56.4077 30.8853 174.6303 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 6 G 8.35 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 7 A 8.09 4.53 1.22 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 8 R 8.99 4.71 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 9 I 8.18 4.05 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 1.28 0.46 0.90 0.00 0.00 10 K 8.12 4.67 0.00 1.64 1.61 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 11 T 8.29 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 12 L 8.41 4.35 0.00 1.73 1.51 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.52 5.23 0.00 3.97 3.78 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 14 V 8.76 4.54 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 0.65 0.00 0.00 1.07 0.00 0.00 15 S 8.73 5.30 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.91 4.66 0.00 1.67 1.78 0.00 3.03 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.00 17 P 0.00 4.93 0.00 2.50 2.16 0.00 3.80 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 2.18 2.11 0.00 18 I 9.40 5.01 2.13 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 1.10 0.00 0.00 19 I 9.29 5.44 2.10 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 1.10 0.00 0.00 20 Y 8.03 5.42 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 6.85 3.38 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 0.00 22 N 8.76 6.30 0.00 2.92 2.81 0.00 0.00 6.53 7.08 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 23 T 8.86 5.25 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 1.30 0.00 0.00 24 A 9.22 5.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.41 4.72 0.00 1.79 1.65 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 26 K 8.61 3.77 0.00 1.73 1.66 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.30 7.81 *28 G 7.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.83 4.35 0.00 3.92 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 30 V 7.74 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 31 K 8.31 4.53 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 P 0.00 4.32 0.00 2.17 2.17 0.00 3.69 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 2.06 1.95 0.00 33 P 0.00 4.21 0.00 2.17 2.18 0.00 3.72 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 1.96 1.97 0.00 34 N 7.83 4.72 0.00 2.70 2.83 0.00 0.00 6.87 7.35 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 35 A 7.36 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.04 0.00 1.44 1.62 0.00 3.41 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 1.68 1.87 0.00 37 A 8.54 3.93 1.22 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 38 E 7.64 4.30 0.00 1.29 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 2.16 2.23 0.00 39 H 7.64 4.49 0.00 3.23 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.87 4.69 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 41 H 9.11 5.19 0.00 3.33 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.11 5.13 0.00 1.72 1.52 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.72 5.80 0.00 3.46 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 44 T 9.24 5.14 4.37 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 1.34 0.00 0.00 45 I 8.80 4.88 1.84 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 1.02 1.05 0.26 0.00 0.00 46 F 8.46 5.66 0.00 3.30 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 9.33 5.33 2.29 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 0.99 0.00 0.00 1.13 0.00 0.00 48 R 9.97 4.93 0.00 1.96 2.18 0.00 2.72 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 49 G 8.72 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.29 2.16 0.00 4.06 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 51 Q 8.98 3.52 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 52 N 7.94 4.28 0.00 2.72 2.82 0.00 0.00 7.08 8.97 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 53 E 7.79 4.25 0.00 2.15 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 2.37 0.00 54 D 8.69 4.59 0.00 2.71 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 55 I 8.51 4.80 1.70 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 1.28 0.00 0.00 56 S 8.81 5.36 0.00 4.26 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 57 Y 8.24 4.46 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.54 4.98 0.00 3.37 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 59 I 7.16 4.38 1.42 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.32 0.16 0.00 0.00 60 K 8.84 4.14 0.00 1.79 1.92 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 K 7.40 4.71 0.00 1.75 1.38 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.42 7.81 62 V 8.51 4.56 1.90 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 0.25 0.00 0.00 0.25 0.00 0.00 63 V 8.35 4.61 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 0.84 0.00 0.00 0.70 0.00 0.00 64 F 9.11 4.98 0.00 3.10 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 65 K 9.13 4.85 0.00 1.85 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 66 L 8.86 4.97 0.00 1.54 1.55 0.78 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.11 4.00 0.00 1.62 2.67 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.30 4.47 0.00 2.58 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 69 T 7.74 4.00 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 1.29 0.00 0.00 70 Y 7.79 4.34 0.00 3.18 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 71 P 0.00 4.30 0.00 2.09 2.01 0.00 4.01 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 72 N 8.87 4.18 0.00 2.88 2.82 0.00 0.00 6.90 8.03 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 73 P 0.00 4.18 0.00 2.29 2.40 0.00 3.72 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 2.11 2.00 0.00 74 V 7.36 4.35 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 0.78 0.00 0.00 0.96 0.00 0.00 75 R 9.16 4.50 0.00 1.94 1.97 0.00 3.37 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 76 S 8.67 4.75 0.00 3.81 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 77 I 8.74 4.47 2.26 0.00 0.00 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 1.54 0.84 1.15 0.00 0.00 78 E 8.98 4.57 0.00 1.95 1.97 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 2.18 2.22 0.00 79 A 7.45 4.63 1.13 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 0.00 0.00 80 P 0.00 3.51 0.00 1.96 1.60 0.00 3.59 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 81 P 0.00 4.22 0.00 2.35 2.05 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 82 F 8.40 4.98 0.00 3.46 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 83 E 8.13 5.38 0.00 2.18 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 2.22 2.33 0.00 84 L 8.78 4.47 0.00 1.72 1.17 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.38 4.89 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 1.06 0.00 0.00 86 E 8.12 4.31 0.00 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.22 0.00 87 T 7.95 4.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 88 G 8.80 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.90 5.47 0.00 3.51 3.23 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 90 G 8.17 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 0.00 0.00 0.00 0.00 91 E 8.54 4.17 0.00 1.92 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 0.00 2.16 2.19 0.00 92 F 7.03 4.98 0.00 3.17 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 93 D 8.90 5.01 0.00 2.72 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 94 I 8.71 4.80 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.11 0.00 0.00 95 N 8.76 4.97 0.00 2.82 2.71 0.00 0.00 6.76 8.76 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 96 I 8.57 4.30 0.56 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 1.36 0.65 0.36 0.00 0.00 97 K 8.60 4.58 0.00 1.74 1.60 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.28 7.81 98 V 8.53 4.04 1.82 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 0.27 0.00 0.00 0.85 0.00 0.00 99 Y 8.74 4.47 0.00 2.84 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 0.00 100 F 8.33 5.07 0.00 2.86 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 0.00 101 V 8.45 3.74 2.35 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 0.78 0.00 0.00 1.17 0.00 0.00 102 E 9.30 3.93 0.00 2.05 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 0.00 2.44 2.37 0.00 103 E 8.15 4.13 0.00 2.15 2.23 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 2.39 2.37 0.00 104 A 7.76 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.54 4.15 0.00 2.83 2.85 0.00 0.00 6.86 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 0.00 106 E 7.72 4.75 0.00 2.02 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 0.00 2.23 2.09 0.00 107 K 8.30 4.22 0.00 1.75 1.70 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 V 7.89 3.22 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 0.11 0.00 0.00 0.05 0.00 0.00 109 L 8.59 4.34 0.00 1.93 1.41 0.96 0.52 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 0.00 110 N 8.56 5.25 0.00 2.58 2.71 0.00 0.00 6.99 7.45 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 0.00 111 F 8.22 5.04 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.97 5.30 0.00 3.03 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 0.00 113 H 8.92 4.34 0.00 3.17 3.07 0.00 5.77 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 0.00 114 R 8.27 4.26 0.00 1.87 1.75 0.00 3.36 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 115 L 8.36 3.93 0.00 0.95 0.67 -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.42 4.81 0.00 1.79 1.76 0.00 3.28 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 117 L 9.14 4.41 0.00 1.07 1.14 0.95 1.05 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 0.00 118 H 7.84 4.93 0.00 3.13 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.16 0.00 2.06 2.02 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 *144 E 8.41 4.22 0.00 1.97 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 2.21 2.54 0.00 145 V 8.20 4.63 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 0.86 0.00 0.00 1.02 0.00 0.00 146 S 8.43 5.12 0.00 3.90 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 0.00 147 S 9.35 4.43 0.00 3.81 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 0.00 148 V 7.94 4.73 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 1.01 0.00 0.00 1.08 0.00 0.00 149 Y 8.65 4.52 0.00 1.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.03 5.37 0.00 2.85 2.92 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 0.00 151 D 9.02 5.33 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.61 4.96 0.00 1.85 1.72 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 2.13 2.26 0.00 153 I 9.01 4.06 1.84 0.00 0.00 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 1.07 0.64 0.29 0.00 0.00 154 V 8.03 4.35 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 0.77 0.00 0.00 0.89 0.00 0.00 155 F 9.27 4.60 0.00 3.13 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 0.00 156 N 8.90 4.73 0.00 2.73 2.74 0.00 0.00 7.38 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 0.00 157 E 8.64 3.84 0.00 2.15 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 2.27 2.24 0.00 158 P 0.00 4.54 0.00 2.32 2.19 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 159 N 8.61 4.69 0.00 3.06 3.04 0.00 0.00 5.80 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 0.00 160 E 8.67 3.95 0.00 2.05 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 2.42 2.39 0.00 161 E 8.27 4.03 0.00 2.30 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 2.46 2.42 0.00 162 F 9.06 4.45 0.00 3.21 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 0.00 163 F 8.47 3.79 0.00 3.05 3.23 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 0.00 164 K 7.84 4.02 0.00 2.02 2.07 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 165 I 7.21 3.96 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 1.15 0.00 0.00 166 L 7.22 3.71 0.00 1.18 1.14 -0.32 -0.27 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 *168 S 8.01 4.41 0.00 3.95 4.14 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 0.00 169 R 7.48 4.05 0.00 1.30 1.59 0.00 2.21 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 * Residues marked with a * may have inaccurate shift predictions.