NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6331 8.2227 120.5378 54.5067 43.3630 177.1796 3 E 3.7594 8.2150 119.0808 58.4062 29.4700 177.0302 4 L 4.0777 8.6628 121.2145 58.3005 42.7963 178.3516 5 L 3.9348 7.8859 118.4233 57.5186 41.5585 178.8640 6 N 4.2422 8.6011 117.7798 56.5788 38.8115 177.1906 7 R 3.9953 7.8124 119.0849 59.0114 30.1706 178.7396 8 L 2.4915 7.3384 120.0140 57.4916 41.8365 178.9334 9 R 3.4374 7.2678 118.3854 59.5212 30.0242 178.3929 10 Q 3.8974 7.8604 117.6748 59.2111 28.5067 179.1729 11 T 3.8057 7.7624 116.7664 66.3180 68.4784 176.6027 12 W 4.2699 7.7097 120.6546 60.3881 28.9397 178.4667 13 H 4.5462 8.4029 115.0147 58.4490 28.2099 177.3496 14 S 4.4941 8.1618 114.5342 59.4749 63.4074 174.7531 15 T 4.4747 7.6580 110.9403 61.2248 70.6477 174.5877 16 I 4.3458 8.0559 123.3898 57.7989 38.1889 173.5417 17 P 4.2377 0.0000 0.0000 65.8197 31.0881 178.1755 18 V 3.6934 7.6904 115.7372 65.9128 31.7897 177.8143 19 S 4.1646 8.2287 114.1646 61.1467 62.5625 176.1797 20 E 3.6529 7.9969 121.9550 58.6740 29.5358 178.8820 21 F 4.1696 7.8212 117.0210 58.6419 39.7486 174.9822 *23 Q 4.1748 7.9973 113.0814 55.2065 29.1986 175.7168 24 I 4.3283 7.8510 119.7243 61.3099 38.1889 176.5212 25 A 4.9824 9.0485 127.0867 49.9934 22.9614 173.8626 26 P 4.6763 0.0000 0.0000 63.1371 31.6867 176.2273 27 L 4.6073 8.9748 123.7771 56.3375 43.1392 176.6657 28 S 4.5612 7.5200 110.3645 58.0921 65.8542 175.1490 29 F 5.3609 8.8356 122.2610 56.6605 39.5993 171.8298 30 T 4.2975 8.6206 118.6465 62.1871 70.7155 174.3963 31 D 4.2779 9.5027 125.8889 55.2876 39.5778 174.2766 32 G 3.8561 7.7210 104.1460 45.0281 0.0000 172.8189 33 E 4.9370 7.9048 121.8705 54.3397 31.8709 174.1807 34 L 5.2359 9.0042 129.6671 54.0304 44.0645 174.8711 35 S 5.3713 9.3069 121.1819 56.6020 65.2856 172.8162 36 V 5.0468 9.1062 125.9264 61.6990 35.6331 173.8905 37 S 4.8208 8.7061 118.1104 58.0669 66.3970 172.1889 38 A 4.7750 8.0452 120.4926 50.6029 21.2680 174.4995 39 P 4.4720 0.0000 0.0000 62.3444 32.5730 177.2156 40 L 4.0544 8.7278 121.8171 58.4228 41.6346 178.8461 41 A 3.9267 7.9852 120.2789 55.2498 18.0914 177.8636 42 P 4.2666 0.0000 0.0000 64.5873 31.3921 177.0540 43 N 4.9780 7.7176 114.1030 52.8388 38.6417 175.0991 44 I 4.3977 7.1801 111.8101 60.4500 38.9582 174.3739 45 N 5.1389 8.1915 117.3415 51.0616 39.8083 174.2807 46 L 3.8637 8.5563 118.3234 59.0749 41.9537 178.2400 47 H 4.5949 7.9902 113.0775 55.9534 28.7213 175.6211 48 H 4.3639 8.1250 115.4645 56.5855 26.5634 175.1189 49 T 4.1543 6.8689 108.9392 62.6673 70.3620 173.7050 *51 F 4.9213 7.8127 119.7685 56.9495 42.2782 175.2980 52 A 3.9088 8.2223 126.6422 55.2850 18.0234 180.3755 53 G 3.1540 5.3800 103.4540 47.6646 0.0000 176.1148 54 S 4.2035 7.6328 116.9964 61.3645 62.7497 176.4761 55 I 3.6736 7.6898 121.5536 64.6085 36.9934 177.4793 56 Y 4.0804 7.8002 118.7035 61.0746 38.9068 177.9365 57 T 3.9741 8.2280 116.7931 66.3681 68.5002 177.0438 58 I 3.7696 7.6691 118.6550 61.5934 37.7942 177.7236 *60 T 3.8835 7.8697 115.8923 62.9564 70.2415 176.5091 61 L 3.8330 7.5425 120.9801 57.6849 41.0760 179.7318 62 T 4.0718 7.6773 115.5672 66.4665 68.4206 176.7047 63 G 3.7797 7.8345 107.6613 46.8279 0.0000 175.0040 64 W 4.3088 8.5745 131.3800 59.9823 30.6959 179.8566 65 G 4.2705 9.2890 106.0792 44.9383 0.0000 175.4962 *67 V 4.0840 7.8317 122.3168 62.2584 33.7404 177.1546 68 W 3.7702 8.0247 128.9745 60.3176 30.3599 178.0018 69 L 3.7426 8.2762 119.2344 57.8819 40.9752 179.5714 70 Q 3.6193 7.6617 117.3908 58.8021 28.4794 178.7092 71 Q 3.7407 7.6931 119.1815 58.7107 28.7556 178.8233 72 Q 3.6090 7.2136 118.5757 58.8908 28.5204 178.7702 73 L 3.9668 7.7248 118.7233 56.8436 41.6728 178.5220 74 L 4.2983 7.6108 116.1577 52.9789 43.0244 175.6002 75 N 4.0074 7.5720 116.4425 54.7571 37.6615 174.5530 76 V 4.3101 8.0520 110.0922 59.5713 35.5063 176.2482 77 D 4.6175 9.4933 123.9457 51.5071 41.3333 174.3224 78 G 4.3430 7.9375 106.5152 43.8817 0.0000 172.2018 79 D 4.7749 8.7380 123.1685 53.6358 42.2842 175.6902 80 I 4.7229 8.4667 124.5286 60.6028 38.3205 175.4411 81 V 4.6795 9.0427 126.6212 61.0142 35.2212 173.7314 82 L 4.5914 8.7090 128.8750 54.1635 42.3206 175.7791 83 A 4.4160 9.0119 129.7429 54.5184 19.3205 176.7897 84 D 4.6713 7.6777 111.8063 52.9398 42.4761 174.2464 85 A 4.8302 8.2367 119.7195 50.9693 22.6242 174.9557 86 H 4.9209 8.8265 119.3997 54.3088 33.0844 172.2475 87 I 5.0095 8.4765 124.5588 59.2234 41.2963 174.1994 88 R 4.5916 8.9018 127.5782 54.5872 33.2312 174.0995 89 Y 4.6198 8.7875 122.0040 56.9781 38.2470 175.2621 90 L 4.4834 8.8605 125.6140 56.5772 42.8323 177.2230 91 A 4.6324 7.6287 117.9761 50.0814 21.9778 173.9065 92 P 4.3207 0.0000 0.0000 62.5463 31.9593 176.7538 93 V 4.1375 8.2903 122.1614 61.9680 31.4916 175.5850 94 T 4.4104 8.3490 117.2445 61.6842 69.4369 173.8504 95 S 4.4119 7.7003 115.0047 57.0551 65.4388 173.7523 96 A 3.9887 8.6724 123.2713 52.5673 17.9202 175.7997 97 P 4.9092 0.0000 0.0000 62.2953 33.7436 175.2725 98 E 4.6349 9.2903 119.1794 54.7519 32.3550 175.6051 99 V 4.7632 9.0352 126.5011 61.3213 33.3120 174.7776 100 K 5.8616 9.4389 127.7010 54.2421 35.7660 175.6331 101 V 4.8975 8.0934 119.9856 60.9101 34.5109 172.8667 102 R 5.3396 8.5270 120.5153 54.1692 34.1060 174.6462 103 W 4.4555 8.9081 131.4364 56.0279 31.7425 174.6597 104 P 4.1553 0.0000 0.0000 65.8329 30.5296 177.2914 *112 Q 4.1753 7.5246 117.2155 53.2662 30.9409 178.5043 113 R 3.9491 7.5937 118.0867 56.4299 29.5007 175.7371 114 G 3.9778 8.3662 103.5386 46.8723 0.0000 173.7075 115 R 4.6139 7.2531 117.0242 53.3054 33.1835 174.5296 116 K 4.4094 8.6861 125.3768 56.8171 32.7903 175.6149 117 A 5.0794 9.2438 128.3170 49.9880 22.9235 174.6875 118 K 5.3420 8.6055 117.5923 55.3455 36.0917 176.0242 119 V 4.3815 8.8383 120.6165 60.5031 35.1144 173.2033 120 K 4.8026 8.5110 123.9279 55.3075 33.0836 175.7444 121 L 4.7244 9.1683 125.9426 52.8833 44.6803 175.4100 122 E 5.0339 8.8035 122.3468 54.8165 31.2840 175.3515 123 V 4.7277 9.2789 125.3789 61.1597 34.4666 174.3248 124 Q 4.9320 9.0420 125.4836 53.9034 32.7026 173.9670 125 L 5.0679 8.2900 124.5657 53.3471 44.5464 175.1886 126 F 5.4644 9.3401 124.6144 56.0004 43.1754 174.2472 127 C 4.7082 8.9318 121.1819 58.5790 34.5664 173.6244 128 D 4.4934 10.1094 125.0283 55.3334 37.9855 174.9367 129 G 3.9728 8.7196 106.9017 44.9165 0.0000 173.7196 130 K 4.5069 7.9962 121.7029 54.2878 33.5616 175.0696 131 L 4.0020 8.5694 128.1323 55.2834 42.2416 175.7782 132 C 4.7810 8.7950 123.5325 60.0737 30.7050 173.4802 133 A 4.9425 7.3379 118.5470 50.8711 22.3821 175.0376 134 Q 4.9927 8.8280 118.9240 54.0005 32.8962 174.4862 135 F 5.2304 9.2552 124.8382 56.5163 43.2258 172.9823 136 D 5.2377 8.8159 125.6677 52.4852 43.8097 175.0290 137 G 4.0751 8.9864 110.9364 43.9947 0.0000 171.0172 138 L 5.1088 8.5088 125.7160 53.7146 43.4023 174.7346 139 Y 5.1959 9.0885 124.8573 56.3681 40.9444 175.1062 140 V 4.6672 9.1180 122.0578 61.1955 35.1480 174.1813 141 S 4.9892 9.5263 122.9414 56.8028 64.4362 172.8985 142 V 4.5840 8.3926 129.2059 60.0712 33.1549 174.0009 143 P 4.8278 0.0000 0.0000 62.5872 31.1040 176.2051 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 D 8.22 4.63 0.00 2.74 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 3 E 8.21 3.76 0.00 2.17 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 2.39 2.51 0.00 4 L 8.66 4.08 0.00 1.86 1.72 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.89 3.93 0.00 1.71 1.64 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.60 4.24 0.00 2.81 2.91 0.00 0.00 7.11 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 7 R 7.81 4.00 0.00 2.27 2.10 0.00 3.36 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 8 L 7.34 2.49 0.00 0.76 1.15 -0.31 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.27 3.44 0.00 1.70 1.84 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.57 0.00 10 Q 7.86 3.90 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 11 T 7.76 3.81 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 1.24 0.00 0.00 12 W 7.71 4.27 0.00 3.43 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 13 H 8.40 4.55 0.00 3.10 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.49 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.66 4.47 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 1.26 0.00 0.00 16 I 8.06 4.35 1.86 0.00 0.00 0.47 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 0.77 0.82 0.00 0.00 17 P 0.00 4.24 0.00 2.14 2.13 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 18 V 7.69 3.69 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 0.91 0.00 0.00 0.91 0.00 0.00 19 S 8.23 4.16 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.00 3.65 0.00 1.94 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 0.00 2.25 2.24 0.00 21 F 7.82 4.17 0.00 3.06 3.19 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 *23 Q 8.00 4.17 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 24 I 7.85 4.33 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 0.68 0.00 0.00 25 A 9.05 4.98 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 26 P 0.00 4.68 0.00 1.89 1.96 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 27 L 8.97 4.61 0.00 1.69 1.75 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.52 4.56 0.00 3.88 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 29 F 8.84 5.36 0.00 2.89 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 30 T 8.62 4.30 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 1.15 0.00 0.00 31 D 9.50 4.28 0.00 2.65 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 32 G 7.72 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.90 4.94 0.00 2.11 1.98 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 2.30 2.45 0.00 34 L 9.00 5.24 0.00 1.95 1.66 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.31 5.37 0.00 3.95 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 36 V 9.11 5.05 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 1.09 0.00 0.00 1.14 0.00 0.00 37 S 8.71 4.82 0.00 3.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.77 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 39 P 0.00 4.47 0.00 2.15 2.04 0.00 3.82 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 1.91 1.89 0.00 40 L 8.73 4.05 0.00 1.80 1.70 0.96 1.04 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 41 A 7.99 3.93 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 42 P 0.00 4.27 0.00 1.73 1.36 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 43 N 7.72 4.98 0.00 2.85 2.92 0.00 0.00 7.03 7.06 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 44 I 7.18 4.40 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.48 0.97 0.00 0.00 45 N 8.19 5.14 0.00 2.95 3.13 0.00 0.00 7.02 5.97 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 46 L 8.56 3.86 0.00 1.50 1.46 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.99 4.59 0.00 3.28 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.12 4.36 0.00 3.32 3.47 0.00 5.82 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 6.87 4.15 4.42 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 1.27 0.00 0.00 *51 F 7.81 4.92 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.22 3.91 0.80 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 53 G 5.38 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.63 4.20 0.00 4.17 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 55 I 7.69 3.67 2.25 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 1.47 0.69 0.91 0.00 0.00 56 Y 7.80 4.08 0.00 3.04 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 57 T 8.23 3.97 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 1.10 0.00 0.00 58 I 7.67 3.77 1.78 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 1.42 1.22 0.89 0.00 0.00 *60 T 7.87 3.88 4.07 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 0.00 0.00 1.25 0.00 0.00 61 L 7.54 3.83 0.00 0.96 0.22 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.68 4.07 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 1.33 0.00 0.00 63 G 7.83 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 0.00 0.00 0.00 64 W 8.57 4.31 0.00 3.73 3.50 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 65 G 9.29 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 0.00 0.00 0.00 0.00 *67 V 7.83 4.08 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 0.91 0.00 0.00 0.90 0.00 0.00 68 W 8.02 3.77 0.00 2.99 3.26 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 69 L 8.28 3.74 0.00 1.42 1.22 0.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.66 3.62 0.00 1.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 71 Q 7.69 3.74 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.48 0.00 72 Q 7.21 3.61 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 73 L 7.72 3.97 0.00 1.56 1.63 1.01 1.29 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 74 L 7.61 4.30 0.00 1.53 1.55 0.74 0.72 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 75 N 7.57 4.01 0.00 2.72 2.72 0.00 0.00 6.88 7.01 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 76 V 8.05 4.31 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 0.79 0.00 0.00 0.85 0.00 0.00 77 D 9.49 4.62 0.00 2.86 2.75 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 78 G 7.94 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 0.00 0.00 0.00 0.00 79 D 8.74 4.77 0.00 2.66 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 80 I 8.47 4.72 1.43 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 0.96 0.24 0.74 0.00 0.00 81 V 9.04 4.68 2.18 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 0.97 0.00 0.00 1.05 0.00 0.00 82 L 8.71 4.59 0.00 1.63 1.59 0.29 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.01 4.42 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 84 D 7.68 4.67 0.00 2.63 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 8.24 4.83 1.01 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 0.00 0.00 86 H 8.83 4.92 0.00 3.04 2.96 0.00 5.55 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 87 I 8.48 5.01 2.10 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.04 1.02 0.00 0.00 88 R 8.90 4.59 0.00 1.60 1.73 0.00 3.16 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.00 89 Y 8.79 4.62 0.00 2.81 2.91 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 90 L 8.86 4.48 0.00 1.59 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.63 4.63 1.21 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 0.00 0.00 0.00 92 P 0.00 4.32 0.00 2.08 2.02 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 93 V 8.29 4.14 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 0.91 0.00 0.00 0.98 0.00 0.00 94 T 8.35 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 1.24 0.00 0.00 95 S 7.70 4.41 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.67 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.91 0.00 2.13 2.12 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 98 E 9.29 4.63 0.00 2.00 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 2.25 2.26 0.00 99 V 9.04 4.76 2.17 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 0.98 0.00 0.00 0.96 0.00 0.00 100 K 9.44 5.86 0.00 1.91 1.77 0.00 1.68 0.00 0.00 2.08 0.00 0.00 2.71 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.42 1.35 7.81 101 V 8.09 4.90 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 0.96 0.00 0.00 1.05 0.00 0.00 102 R 8.53 5.34 0.00 1.74 1.93 0.00 3.26 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 103 W 8.91 4.46 0.00 3.44 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.16 0.00 2.02 1.96 0.00 2.40 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.61 0.00 *112 Q 7.52 4.18 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 5.96 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 113 R 7.59 3.95 0.00 1.91 1.95 0.00 3.22 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 114 G 8.37 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 0.00 115 R 7.25 4.61 0.00 1.78 1.93 0.00 3.29 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 116 K 8.69 4.41 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.49 7.81 117 A 9.24 5.08 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 0.00 118 K 8.61 5.34 0.00 1.74 1.78 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 119 V 8.84 4.38 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 0.81 0.00 0.00 -0.11 0.00 0.00 120 K 8.51 4.80 0.00 1.58 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 121 L 9.17 4.72 0.00 1.79 1.63 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.80 5.03 0.00 1.85 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 0.00 2.48 2.26 0.00 123 V 9.28 4.73 2.18 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 0.99 0.00 0.00 1.08 0.00 0.00 124 Q 9.04 4.93 0.00 2.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 125 L 8.29 5.07 0.00 1.61 1.36 0.89 0.66 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 0.00 126 F 9.34 5.46 0.00 3.02 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 0.00 127 C 8.93 4.71 0.00 2.99 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 0.00 128 D 10.11 4.49 0.00 2.91 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 0.00 129 G 8.72 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 0.00 130 K 8.00 4.51 0.00 1.86 1.90 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81 131 L 8.57 4.00 0.00 1.52 1.51 0.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.79 4.78 0.00 2.84 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 0.00 133 A 7.34 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.83 4.99 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 135 F 9.26 5.23 0.00 2.88 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 0.00 136 D 8.82 5.24 0.00 2.39 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 0.00 137 G 8.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.51 5.11 0.00 1.70 1.60 0.91 1.11 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 0.00 139 Y 9.09 5.20 0.00 3.02 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 0.00 140 V 9.12 4.67 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 1.12 0.00 0.00 0.97 0.00 0.00 141 S 9.53 4.99 0.00 3.93 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 0.00 142 V 8.39 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 143 P 0.00 4.83 0.00 2.21 2.02 0.00 3.47 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.