NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4129 8.0333 117.3801 62.5258 70.1467 174.5140 3 P 4.2239 0.0000 0.0000 65.1361 31.1318 177.5953 4 A 4.0284 8.5837 120.3989 55.2262 18.7801 179.5045 5 I 3.3346 7.5881 117.8268 64.4580 37.2733 178.0299 6 D 4.3853 8.4690 120.2017 57.3440 40.6517 178.6331 7 L 3.8889 7.8229 120.5187 58.3542 42.1063 179.0250 8 L 3.9184 7.6105 118.5693 57.8275 41.0730 179.8147 9 K 4.1602 8.2129 118.4196 59.2758 31.7622 179.3531 10 K 3.9755 8.3886 119.6125 59.1606 32.2454 178.0381 11 Q 4.2875 8.1090 115.4275 54.8517 29.2563 175.6277 12 K 3.9183 7.5083 117.9848 57.4174 30.0376 175.6056 13 I 4.2136 7.7349 119.3604 59.6003 38.0202 174.6832 14 P 4.4371 0.0000 0.0000 62.7594 31.7234 175.4564 15 F 5.0960 8.0908 116.1795 56.0127 40.9625 173.1243 16 I 4.3005 8.8031 120.7554 59.3704 39.9338 174.3846 17 L 5.0738 8.3809 128.6324 54.2465 43.3309 175.0512 18 H 5.1560 9.6364 123.4859 54.3537 31.8426 173.1063 19 T 5.2606 8.7116 118.5858 62.0235 71.3242 172.8960 20 Y 4.9654 8.2054 122.0682 55.3128 41.6917 174.9214 21 D 4.5029 8.8694 121.1851 53.9591 40.6068 176.0073 22 H 4.4883 8.6359 120.8953 55.3046 29.3110 175.2552 23 D 4.6170 8.1102 124.0297 51.9538 39.9046 171.9962 24 P 4.2757 0.0000 0.0000 61.8637 32.5879 177.0462 *30 G 3.9071 8.5419 111.3213 44.7369 0.0000 172.3920 31 D 4.6606 8.5418 117.9161 51.4405 42.9135 173.7504 32 E 3.9079 8.4302 124.3999 58.9242 30.1214 177.3285 33 A 2.9082 7.9251 119.8966 55.0883 18.3294 179.3345 34 A 3.6960 8.2856 119.1194 55.1514 18.3472 179.8139 35 E 3.8069 7.9879 117.1436 59.5125 29.3888 179.6163 36 K 4.1051 8.3369 117.3388 58.2989 32.2551 178.4704 37 L 4.3672 7.6515 117.4021 53.4028 42.7121 176.1605 38 G 3.7290 7.3065 105.1889 46.8048 0.0000 173.6768 39 I 4.2313 7.3020 118.3045 58.4041 39.7664 175.8720 40 D 4.2687 8.5109 122.3529 54.3296 41.2986 175.7963 41 P 4.1729 0.0000 0.0000 65.6403 31.5004 177.9444 42 N 4.3378 8.9292 114.4857 54.9931 38.7793 175.4495 43 R 3.8987 7.9861 118.3009 56.0416 31.7705 175.1101 44 S 5.0630 7.7317 114.7505 57.5081 63.7924 172.5053 45 F 5.2453 9.4798 127.2492 55.7181 40.9594 175.8516 46 K 4.6507 9.1176 122.3630 55.9225 35.5456 175.2097 47 T 5.1987 8.3687 116.5631 61.8926 71.1749 173.5594 48 L 4.9799 9.2019 126.2691 52.8704 45.4019 175.4607 49 L 5.3455 8.5697 120.5820 53.2054 44.6000 176.2264 50 V 4.8431 8.8727 114.5280 59.5856 36.0895 174.2638 51 A 4.9906 8.7923 125.4031 50.4946 20.9838 176.3081 52 E 4.1563 9.1484 123.4018 56.6463 30.5291 176.9180 53 N 4.2097 10.2509 122.0365 54.1143 36.9752 175.3230 54 G 3.8971 8.0143 103.0365 46.6282 0.0000 173.6516 55 D 4.6125 8.1629 120.7802 52.7571 40.8600 177.2195 56 Q 4.1418 8.7282 126.5785 57.6830 28.9120 177.1958 57 K 4.4848 8.2816 116.2637 56.4060 32.9908 177.0841 58 K 4.5433 7.9910 121.2950 54.6353 32.0787 174.9637 59 L 5.3160 8.1176 122.4236 52.9040 44.7636 175.1633 60 A 4.7211 8.9268 121.3995 50.4802 23.2845 174.4323 61 C 5.1402 8.7176 120.1909 57.5600 34.3570 172.7342 62 F 5.2546 9.2518 124.0944 55.5963 42.5475 174.0498 63 V 5.0903 9.0687 123.4812 61.0902 34.0116 174.2267 64 L 5.1930 9.0720 126.7975 53.9705 44.3370 175.1751 65 A 3.6431 7.8193 122.0137 51.8070 18.8906 179.0056 66 T 3.6354 8.5700 111.4882 64.4366 68.8981 175.6751 67 A 4.1771 7.8256 123.1829 53.5958 19.3828 177.6271 68 N 4.8632 7.5556 114.2829 52.6079 39.2040 174.3781 *70 L 3.9669 8.3233 126.1493 55.8639 43.1214 175.8072 71 N 4.6552 8.7270 125.0023 52.1378 38.8794 175.4883 72 L 3.9047 8.3413 127.3571 57.4376 41.7074 179.5447 73 K 3.9087 7.9875 118.1241 59.5426 32.1081 179.2708 74 K 3.9685 8.6299 118.6931 59.2994 31.5533 179.3763 75 A 3.7170 8.2590 121.2383 54.9201 18.2252 179.4585 76 A 3.8648 8.0567 119.4826 55.3536 18.3574 179.8263 77 K 3.9798 8.1703 118.2237 59.4435 31.9964 178.8812 78 S 4.3943 8.0251 113.7045 59.8864 63.1442 174.7126 79 I 4.3626 7.1116 113.7037 60.1564 37.8720 175.6482 80 G 3.8408 8.0535 108.6215 46.7323 0.0000 173.7222 81 V 4.4839 7.3908 117.6339 60.1302 34.3258 175.5898 82 K 4.1163 8.7479 126.4426 59.0894 32.4916 176.6900 83 K 4.9361 8.2302 116.0359 54.8570 37.0406 175.5321 84 V 4.7247 8.2019 119.5513 62.0579 34.6111 174.5390 85 E 4.5071 8.9678 117.7113 57.0735 31.6527 176.7826 *87 A 4.1625 9.1085 123.4966 52.0056 20.8042 177.8236 88 D 4.4097 8.6594 120.0668 54.6204 42.9736 177.8489 89 K 3.8835 8.6619 126.8191 59.7161 32.2555 178.4226 90 D 4.2733 8.1285 117.4082 57.4437 41.1824 177.8348 91 A 3.9244 8.2205 120.8763 55.0981 18.3504 179.4549 92 A 3.9503 8.3956 119.5174 55.5507 18.5064 179.9645 93 Q 4.4927 8.5582 118.2074 58.4676 28.5365 179.1513 94 K 3.9202 8.5396 119.0164 59.4633 32.4345 178.9121 95 S 4.2190 8.1552 113.5951 61.7030 62.3244 176.1926 96 T 4.0732 8.1619 112.1208 62.1530 68.6731 176.4606 97 G 3.5678 8.1256 108.0779 45.3695 0.0000 172.1298 98 Y 4.9824 7.7720 116.6615 55.9379 41.1991 174.7155 99 L 4.8553 8.0862 120.3579 52.7647 43.7106 176.6550 100 V 3.7391 8.1664 120.8798 64.8730 31.7263 176.4211 101 G 4.0958 9.8714 115.4243 45.4237 0.0000 173.9978 102 G 4.0512 8.2731 107.7376 45.1456 0.0000 172.1161 103 I 3.9484 7.8236 121.3058 60.2126 37.0665 175.7009 104 S 4.4799 7.1784 120.6224 56.3495 63.1756 172.4589 105 P 4.4245 0.0000 0.0000 64.3447 31.5111 176.1427 106 L 4.6131 7.5200 119.1130 54.0252 43.6169 176.2742 107 G 3.9647 8.8472 109.0626 46.4600 0.0000 173.9264 108 Q 4.1726 7.9920 117.4908 55.2087 29.3997 176.7804 109 K 3.9472 8.1728 121.3648 58.7238 32.2493 177.7733 110 K 4.4465 7.6436 118.1845 54.2754 33.2953 176.2627 111 R 4.0822 8.5180 123.8928 56.0324 30.4722 176.3254 112 V 4.5175 7.9333 115.3391 58.3745 35.5083 175.2599 113 K 3.9738 8.3834 120.1230 58.1012 33.3993 175.8403 114 T 4.9094 8.3189 118.7038 61.6376 72.7694 172.8278 115 V 4.6743 8.0245 124.3083 61.1750 34.9960 174.0209 116 I 4.9582 8.3396 128.7569 59.2099 39.7571 174.7868 117 N 5.6009 9.7480 126.0673 53.4388 39.6461 176.1295 118 S 4.5492 9.1191 120.3654 61.1098 63.4125 176.1855 119 T 4.0697 8.3044 112.5788 63.3846 68.6650 175.6028 120 A 4.4438 8.6147 124.8603 55.7754 18.1510 178.8963 121 L 4.0764 7.8519 114.2208 56.0351 41.6949 178.6188 122 E 3.8614 8.0328 118.8924 56.9417 29.6753 176.5234 123 F 5.0099 7.0122 117.0009 55.2998 41.5603 175.6226 124 E 4.1875 8.9031 123.1588 59.1719 29.6591 176.8320 125 T 4.9390 7.6796 106.2229 59.9861 72.3783 172.9179 126 I 4.8958 8.9958 115.1252 59.4987 41.9397 173.3227 127 Y 5.0795 8.9099 119.8287 56.4035 40.4256 175.7170 128 V 5.0558 8.9207 116.6489 58.9530 36.2447 175.0076 129 S 4.3345 8.8248 116.8929 58.9207 62.6898 173.9525 130 G 3.8461 8.6858 112.8229 46.2040 0.0000 174.5690 131 G 3.7217 9.1952 108.4174 44.4371 0.0000 174.1171 132 K 4.5399 7.4469 117.4734 54.8962 35.3401 175.5295 133 R 3.9625 8.3556 120.1999 58.4285 30.4536 177.1424 134 G 2.7319 9.0519 109.9133 44.3064 0.0000 172.2839 135 L 5.1967 7.6153 119.1984 52.8101 45.6468 175.5547 136 S 5.1381 9.3643 117.5209 56.5771 66.3407 172.4289 137 V 4.8353 9.2027 126.9464 61.2986 33.5035 173.6851 138 E 4.6405 9.1893 129.7110 54.6082 31.4571 174.3761 139 I 4.8504 8.5351 125.9611 59.3436 42.3579 173.7798 140 A 4.6029 8.9223 131.2428 50.9318 19.2037 176.8277 141 P 4.3168 0.0000 0.0000 66.1913 31.3200 179.0659 142 Q 4.2701 8.1276 117.2447 58.7136 28.6170 178.4179 143 D 4.3383 7.9634 119.7420 57.0764 40.8573 178.0888 144 L 3.8903 8.0399 120.6599 58.2535 41.9795 179.0146 145 A 3.8294 8.1736 120.5651 54.9234 18.1501 179.4954 146 K 3.8500 8.3391 118.4179 59.6497 32.0432 179.1606 147 V 3.5852 7.6957 117.5514 65.3913 31.5451 177.0552 148 L 4.4531 7.6140 115.7181 53.2390 42.4666 176.3425 149 G 3.9118 7.5527 107.1205 46.2764 0.0000 173.4881 150 A 4.4089 7.8810 119.1203 51.1685 20.0045 177.7005 151 E 4.5251 8.4018 119.8350 54.5598 32.8917 174.5743 152 F 5.3092 8.5818 121.8962 56.2780 40.7420 175.4413 153 T 4.8165 8.7318 119.3560 61.8164 73.5808 172.8223 154 D 4.7586 8.8410 124.6345 54.0359 41.6615 175.6042 155 I 4.5710 8.5305 117.7287 60.2670 38.5911 174.9381 156 V 4.6829 7.4861 113.5196 59.4744 34.3541 175.2457 157 D 4.5672 8.2464 120.7610 54.2384 41.4069 176.7523 158 E 4.1578 8.5508 119.6155 56.8498 29.5521 176.9868 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.41 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 1.36 0.00 0.00 3 P 0.00 4.22 0.00 2.36 2.08 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 4 A 8.58 4.03 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 5 I 7.59 3.33 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 1.01 0.00 0.00 6 D 8.47 4.39 0.00 2.63 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 7 L 7.82 3.89 0.00 1.84 1.79 0.90 0.73 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 8 L 7.61 3.92 0.00 1.28 1.38 0.01 0.71 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 9 K 8.21 4.16 0.00 2.00 1.93 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.73 1.81 7.81 10 K 8.39 3.98 0.00 1.77 1.99 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 11 Q 8.11 4.29 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 K 7.51 3.92 0.00 1.94 1.94 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 13 I 7.73 4.21 1.92 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 1.32 0.76 0.95 0.00 0.00 14 P 0.00 4.44 0.00 2.06 1.99 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 15 F 8.09 5.10 0.00 3.06 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 16 I 8.80 4.30 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.73 0.00 0.00 17 L 8.38 5.07 0.00 1.86 1.60 1.11 1.06 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 18 H 9.64 5.16 0.00 3.31 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.71 5.26 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 1.24 0.00 0.00 20 Y 8.21 4.97 0.00 2.91 2.87 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 21 D 8.87 4.50 0.00 2.74 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 22 H 8.64 4.49 0.00 3.32 3.25 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.11 4.62 0.00 2.59 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 24 P 0.00 4.28 0.00 2.04 2.10 0.00 3.68 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 2.02 2.08 0.00 *30 G 8.54 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 0.00 0.00 0.00 31 D 8.54 4.66 0.00 2.56 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.43 3.91 0.00 2.08 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 2.42 2.41 0.00 33 A 7.93 2.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.29 3.70 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 35 E 7.99 3.81 0.00 1.95 1.93 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 2.26 2.50 0.00 36 K 8.34 4.11 0.00 1.24 1.82 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.59 7.81 37 L 7.65 4.37 0.00 1.59 1.44 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.31 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 0.00 0.00 0.00 39 I 7.30 4.23 1.48 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 0.78 -0.07 0.37 0.00 0.00 40 D 8.51 4.27 0.00 2.64 2.49 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 0.00 0.00 0.00 41 P 0.00 4.17 0.00 2.14 2.01 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 42 N 8.93 4.34 0.00 3.04 3.05 0.00 0.00 6.85 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.99 3.90 0.00 1.46 1.77 0.00 2.98 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.00 44 S 7.73 5.06 0.00 3.74 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 45 F 9.48 5.25 0.00 2.95 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 46 K 9.12 4.65 0.00 1.80 1.94 0.00 1.25 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.43 7.81 47 T 8.37 5.20 4.44 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 1.27 0.00 0.00 48 L 9.20 4.98 0.00 1.67 1.60 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.57 5.35 0.00 1.52 1.59 0.98 0.92 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 50 V 8.87 4.84 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 0.76 0.00 0.00 1.28 0.00 0.00 51 A 8.79 4.99 1.29 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 0.00 0.00 52 E 9.15 4.16 0.00 2.05 1.93 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 2.38 2.41 0.00 53 N 10.25 4.21 0.00 2.79 2.87 0.00 0.00 7.16 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 54 G 8.01 3.90 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 0.00 0.00 0.00 55 D 8.16 4.61 0.00 2.68 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 56 Q 8.73 4.14 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 57 K 8.28 4.48 0.00 1.86 1.88 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.53 7.81 58 K 7.99 4.54 0.00 1.71 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 L 8.12 5.32 0.00 1.51 1.65 0.94 0.85 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 60 A 8.93 4.72 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 61 C 8.72 5.14 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.25 5.25 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 63 V 9.07 5.09 2.15 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 1.16 0.00 0.00 0.94 0.00 0.00 64 L 9.07 5.19 0.00 1.72 1.80 0.92 0.51 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 65 A 7.82 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.57 3.64 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 A 7.83 4.18 1.23 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 68 N 7.56 4.86 0.00 2.72 2.53 0.00 0.00 6.85 8.36 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 *70 L 8.32 3.97 0.00 1.56 1.54 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.73 4.66 0.00 2.79 2.65 0.00 0.00 6.93 6.41 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 72 L 8.34 3.90 0.00 1.67 1.64 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.99 3.91 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 74 K 8.63 3.97 0.00 1.87 2.05 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 75 A 8.26 3.72 0.63 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 0.00 0.00 76 A 8.06 3.86 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 77 K 8.17 3.98 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 S 8.03 4.39 0.00 4.22 4.19 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 79 I 7.11 4.36 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.95 0.00 0.00 80 G 8.05 3.84 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 0.00 0.00 0.00 81 V 7.39 4.48 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 0.85 0.00 0.00 1.00 0.00 0.00 82 K 8.75 4.12 0.00 1.76 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 K 8.23 4.94 0.00 1.73 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 84 V 8.20 4.72 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 0.71 0.00 0.00 1.00 0.00 0.00 85 E 8.97 4.51 0.00 1.89 1.67 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 2.28 2.28 0.00 *87 A 9.11 4.16 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 88 D 8.66 4.41 0.00 2.82 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 89 K 8.66 3.88 0.00 1.87 1.80 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 90 D 8.13 4.27 0.00 2.83 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 91 A 8.22 3.92 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 92 A 8.40 3.95 1.39 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 0.00 0.00 0.00 93 Q 8.56 4.49 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 94 K 8.54 3.92 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 95 S 8.16 4.22 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.16 4.07 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 97 G 8.13 3.57 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 0.00 0.00 0.00 98 Y 7.77 4.98 0.00 3.04 2.83 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 99 L 8.09 4.86 0.00 1.74 1.60 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.17 3.74 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 0.79 0.00 0.00 0.96 0.00 0.00 101 G 9.87 4.10 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 0.00 0.00 0.00 102 G 8.27 4.05 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 0.00 0.00 0.00 103 I 7.82 3.95 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 1.00 0.00 0.00 104 S 7.18 4.48 0.00 3.42 3.58 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 0.00 105 P 0.00 4.42 0.00 2.18 2.15 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 106 L 7.52 4.61 0.00 1.64 1.59 0.86 0.77 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 0.00 107 G 8.85 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 0.00 108 Q 7.99 4.17 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 109 K 8.17 3.95 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 110 K 7.64 4.45 0.00 1.72 1.70 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.50 7.81 111 R 8.52 4.08 0.00 1.77 1.85 0.00 3.12 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 112 V 7.93 4.52 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 0.78 0.00 0.00 0.91 0.00 0.00 113 K 8.38 3.97 0.00 1.73 1.90 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 114 T 8.32 4.91 4.09 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 0.00 0.00 1.07 0.00 0.00 115 V 8.02 4.67 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 1.24 0.00 0.00 0.78 0.00 0.00 116 I 8.34 4.96 1.42 0.00 0.00 0.51 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 0.71 1.04 0.00 0.00 117 N 9.75 5.60 0.00 2.95 2.98 0.00 0.00 6.84 7.38 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 0.00 118 S 9.12 4.55 0.00 4.16 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 0.00 119 T 8.30 4.07 4.50 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 1.31 0.00 0.00 120 A 8.61 4.44 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 0.00 0.00 0.00 0.00 0.00 121 L 7.85 4.08 0.00 1.51 1.50 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.03 3.86 0.00 1.16 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 2.31 2.07 0.00 123 F 7.01 5.01 0.00 3.13 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 0.00 124 E 8.90 4.19 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 2.45 2.28 0.00 125 T 7.68 4.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 126 I 9.00 4.90 1.59 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 0.71 0.00 0.00 127 Y 8.91 5.08 0.00 2.95 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 0.00 128 V 8.92 5.06 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 0.69 0.00 0.00 0.95 0.00 0.00 129 S 8.82 4.33 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.69 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 0.00 131 G 9.20 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 0.00 0.00 0.00 132 K 7.45 4.54 0.00 1.85 1.85 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.35 7.81 133 R 8.36 3.96 0.00 1.61 1.78 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 134 G 9.05 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 0.00 0.00 0.00 135 L 7.62 5.20 0.00 1.56 1.53 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.36 5.14 0.00 4.14 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 0.00 137 V 9.20 4.84 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 0.76 0.00 0.00 0.85 0.00 0.00 138 E 9.19 4.64 0.00 1.42 1.76 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 1.94 1.47 0.00 139 I 8.54 4.85 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.85 0.00 0.00 140 A 8.92 4.60 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 0.00 141 P 0.00 4.32 0.00 2.34 2.33 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.34 0.00 142 Q 8.13 4.27 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 143 D 7.96 4.34 0.00 2.88 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 0.00 144 L 8.04 3.89 0.00 1.73 1.84 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.17 3.83 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 0.00 146 K 8.34 3.85 0.00 1.85 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 147 V 7.70 3.59 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 0.94 0.00 0.00 1.04 0.00 0.00 148 L 7.61 4.45 0.00 1.50 1.60 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.55 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 0.00 0.00 0.00 150 A 7.88 4.41 0.99 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 0.00 0.00 151 E 8.40 4.53 0.00 2.02 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 2.25 2.27 0.00 152 F 8.58 5.31 0.00 2.98 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 0.00 153 T 8.73 4.82 4.35 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 1.29 0.00 0.00 154 D 8.84 4.76 0.00 2.72 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 0.00 155 I 8.53 4.57 1.81 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 1.54 1.21 1.05 0.00 0.00 156 V 7.49 4.68 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 0.75 0.00 0.00 1.03 0.00 0.00 157 D 8.25 4.57 0.00 2.65 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 0.00 158 E 8.55 4.16 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.