NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3910 8.0176 110.9451 60.7805 70.5450 174.7899 6 P 4.0472 0.0000 0.0000 65.2927 31.3162 177.5124 7 F 4.1648 9.1414 121.8858 60.9707 39.7093 177.6850 8 D 4.1862 8.3024 117.9952 57.2448 40.4667 178.8224 9 A 3.9514 7.5222 120.7685 55.0321 18.2316 179.3504 10 L 3.7773 7.5000 117.4715 57.9973 42.2112 178.5295 11 W 4.0390 8.2140 127.6672 60.6937 30.8283 177.6615 12 Q 4.1203 8.2869 117.8542 58.7319 28.0007 178.7876 13 R 3.9296 7.8167 115.4194 57.5978 29.9103 178.1514 *15 L 3.8875 7.8333 120.6001 54.6136 43.5372 178.9349 16 A 4.0028 7.7333 120.2887 55.2108 18.2529 178.6699 17 R 3.6543 6.7263 112.1935 57.1122 29.9060 177.7520 18 G 3.9364 8.1159 107.1112 44.6011 0.0000 173.9792 19 W 4.7051 7.4397 119.1856 56.9950 30.0838 175.4023 20 T 4.5390 8.3624 113.3434 59.4992 70.3123 172.4660 21 P 5.0036 0.0000 0.0000 62.6964 32.1667 176.0781 22 V 4.6077 8.6691 122.5124 60.0619 34.6590 174.7512 23 S 4.8448 8.4479 116.4015 56.0901 66.1210 174.4890 24 E 3.9767 8.8537 121.8978 59.6796 29.0808 179.2344 25 S 4.3023 8.1635 112.0761 60.4597 63.2198 175.2873 26 R 4.5847 7.8214 119.7391 55.2587 30.9694 176.9435 27 L 4.0225 7.7149 121.5843 58.5845 42.0607 178.4902 28 D 4.4275 8.2245 117.9841 57.6344 40.5529 178.5291 29 D 4.3676 8.0550 117.6449 57.0461 41.3432 178.1183 30 W 4.2484 8.4621 128.9371 60.4513 30.6773 177.8589 31 L 3.5756 8.6696 119.4758 58.0148 40.8702 179.7407 32 T 3.8726 7.8943 108.4167 63.7906 68.5419 175.3949 33 Q 4.4850 7.1820 118.0086 54.9938 30.3864 176.6647 34 A 4.4788 7.3592 122.6701 50.2254 20.1708 174.4626 35 P 4.3238 0.0000 0.0000 64.6727 32.9468 176.6993 36 D 5.2366 8.0320 120.9361 52.5574 42.6159 175.6233 37 G 4.7892 9.1824 110.5212 45.2768 0.0000 169.9126 38 V 5.1474 9.3415 118.7104 61.2483 35.4040 173.7835 39 V 4.4989 8.6274 127.2901 61.0284 33.9546 174.0907 40 L 4.6008 8.6676 129.1166 53.8135 43.1653 175.5617 41 L 4.6317 8.5941 124.8791 53.0709 43.5509 176.0392 42 S 5.0347 8.5265 118.9679 56.8475 66.6854 172.8692 43 S 4.9537 8.4514 116.2019 56.2072 67.0427 173.5227 44 D 4.3752 8.5013 120.2065 53.8386 41.1610 175.1387 45 P 4.5971 0.0000 0.0000 65.5259 31.8412 178.9597 46 K 4.0303 8.0589 117.5410 59.5671 32.1947 178.2793 47 R 3.9477 8.1891 117.1061 59.0008 30.1767 176.2185 48 T 4.4516 7.8676 114.0789 59.3294 68.1175 171.8868 49 P 4.7091 0.0000 0.0000 63.2687 31.2980 177.4055 50 E 4.2251 8.3708 120.6403 58.7957 29.7756 178.8345 51 V 3.7882 7.1019 116.8676 65.3616 31.6692 177.1377 52 S 4.4067 8.0121 114.6142 61.2238 63.3804 175.6086 53 D 4.5442 8.3685 120.5650 56.6383 40.4128 177.8660 54 N 4.2801 8.2305 116.5669 56.6794 39.0867 174.1055 55 P 4.5631 0.0000 0.0000 65.8053 31.0988 178.5815 56 V 3.3516 7.3320 113.1814 64.4729 32.1856 177.5961 *58 I 3.9796 7.9187 120.6674 61.0378 38.9251 177.9572 59 G 3.9447 8.2889 105.9032 48.0680 0.0000 175.3254 60 E 4.3550 8.1104 120.8948 59.2177 29.7178 178.8865 61 L 4.0439 8.2997 119.8414 58.4902 41.7792 178.9463 62 L 3.6241 7.9032 118.8295 57.8460 41.4334 178.7102 63 H 4.7878 7.7709 110.9195 56.9064 28.4982 176.1728 64 E 4.3930 7.9857 120.5454 56.9794 31.3687 176.5257 65 F 5.0504 8.6902 117.7558 55.1782 39.6069 173.7715 66 P 4.5542 0.0000 0.0000 65.3217 31.8558 178.0657 67 D 4.3443 8.3458 116.9296 56.2499 40.8495 175.7575 68 Y 4.3830 7.5148 115.3568 56.2637 41.0499 176.0057 69 T 4.3246 7.7393 117.4244 60.1041 66.2237 174.9346 70 W 4.9483 7.6687 121.5652 57.9997 30.4407 177.2715 71 Q 4.6920 9.1929 124.0504 54.4911 32.3958 173.5562 72 V 4.6429 8.6413 125.5191 61.1868 33.7452 174.0724 73 A 4.8931 8.9067 129.0438 49.7789 22.3515 174.8339 74 I 4.8194 8.3465 112.7644 58.9268 41.0755 174.0793 75 A 5.3314 8.4170 126.2880 50.0418 21.6549 176.8250 76 D 4.8124 8.6014 121.3677 52.5006 41.8666 177.1930 77 L 3.7549 7.7505 118.1433 58.1147 41.5378 179.5879 78 E 3.9410 7.9278 117.6397 59.6981 29.6000 179.3868 79 Q 4.0670 9.1523 118.4060 58.9735 28.6050 178.9869 80 S 4.2715 8.5227 116.8116 61.6459 62.7322 176.5920 81 E 4.0867 8.1463 120.7756 59.0959 29.2771 179.1075 82 A 3.9893 7.9054 120.6587 55.3364 18.5761 179.6548 83 I 3.9081 8.4607 118.5281 64.4245 37.2077 178.9127 84 G 3.7594 8.5204 106.7144 48.1652 0.0000 175.3015 85 D 4.1722 8.2614 122.0493 57.0652 40.5937 179.1057 86 R 3.9511 7.9097 117.8832 58.2475 30.1276 177.4645 87 F 4.5560 7.7260 114.4585 56.2503 39.5702 176.1987 88 G 3.7376 7.4654 104.9803 45.9073 0.0000 174.1519 89 A 4.3303 7.7472 123.1945 51.3666 17.4657 177.8887 90 F 4.5926 8.5380 120.9003 57.8362 39.6304 176.8639 91 R 4.4746 7.8516 121.3035 54.7215 30.5335 173.7069 92 F 5.2625 8.3206 122.0309 55.1230 40.8073 173.9785 93 P 4.6344 0.0000 0.0000 62.8426 32.5207 175.2650 94 A 5.1961 8.4084 123.4855 50.6367 23.4161 175.3767 95 T 4.7774 8.4308 115.1866 61.8531 72.6450 173.4650 96 L 4.6649 8.8408 127.9135 54.2326 43.4054 176.1287 97 V 4.7514 8.6279 123.8432 61.1071 34.0971 174.2229 98 F 5.4117 9.6364 126.2135 56.0498 42.5754 174.1545 99 T 4.7937 9.0474 120.0961 62.0365 72.0380 174.5801 100 G 4.0146 9.3421 115.4154 46.7716 0.0000 174.1118 101 G 3.9639 8.6849 103.7881 45.6204 0.0000 173.4122 102 N 5.0726 8.2823 117.8521 50.9864 40.7959 173.4488 103 Y 4.1017 8.7537 124.1377 57.5864 39.1160 175.2828 104 R 3.9566 9.2869 127.0796 55.6620 31.3743 177.2179 105 G 3.3755 5.3800 103.5348 44.5594 0.0000 170.6717 106 V 4.8295 7.4796 118.5810 59.8949 34.5298 175.1992 107 L 4.5109 8.9164 125.3692 53.7035 42.4590 175.3772 108 N 5.3177 8.7966 121.1004 52.0228 40.6140 175.2937 109 G 3.8016 8.4799 107.5586 44.6451 0.0000 172.0916 110 I 4.5079 7.7550 117.3180 59.3987 40.2825 174.4180 111 H 5.0149 8.5253 123.1572 52.9462 32.9231 171.3498 112 P 4.4655 0.0000 0.0000 62.5143 32.1298 177.3487 113 W 3.9091 9.1578 129.7198 60.9338 30.5572 178.2600 114 A 4.2757 8.3085 119.9746 55.0262 17.6977 178.4822 115 E 4.2237 7.9157 117.2359 57.0074 30.1861 177.9984 116 L 3.9750 7.4321 120.3283 58.0766 42.2545 177.8721 117 I 3.5235 6.9950 116.7807 64.2301 37.8304 176.9973 118 N 4.5920 7.7141 116.9032 55.6353 37.3306 177.6364 119 L 3.9279 7.4088 118.9064 54.9239 41.0410 178.8068 *121 R 4.3076 8.1652 121.6319 56.4629 31.5671 176.9490 122 G 3.8727 7.8913 103.9005 46.5207 0.0000 173.7001 123 L 4.3388 7.2018 117.0152 56.1273 43.1126 177.8482 124 V 4.1058 7.4959 108.1308 61.0355 31.7963 175.6127 125 E 4.2570 7.9003 127.2005 56.6374 29.7208 174.5069 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 5 T 8.02 4.39 4.29 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 1.29 0.00 0.00 6 P 0.00 4.05 0.00 2.45 2.39 0.00 3.77 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 2.18 2.14 0.00 7 F 9.14 4.16 0.00 3.10 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 8 D 8.30 4.19 0.00 2.99 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 9 A 7.52 3.95 1.43 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 10 L 7.50 3.78 0.00 1.60 1.64 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.21 4.04 0.00 2.85 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 12 Q 8.29 4.12 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 13 R 7.82 3.93 0.00 1.86 1.79 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 *15 L 7.83 3.89 0.00 1.66 1.58 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.73 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 6.73 3.65 0.00 0.67 0.92 0.00 2.21 0.00 0.00 2.91 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.00 18 G 8.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.44 4.71 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.36 4.54 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 1.32 0.00 0.00 21 P 0.00 5.00 0.00 2.11 2.51 0.00 3.64 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 2.14 1.99 0.00 22 V 8.67 4.61 1.57 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 0.50 0.00 0.00 0.80 0.00 0.00 23 S 8.45 4.84 0.00 4.00 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 24 E 8.85 3.98 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 2.44 2.36 0.00 25 S 8.16 4.30 0.00 4.08 4.01 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 26 R 7.82 4.58 0.00 1.90 2.01 0.00 3.18 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.71 4.02 0.00 1.97 1.86 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.22 4.43 0.00 2.77 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 29 D 8.06 4.37 0.00 2.90 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 30 W 8.46 4.25 0.00 3.38 3.40 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 0.00 31 L 8.67 3.58 0.00 2.00 1.62 0.43 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.89 3.87 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 1.29 0.00 0.00 33 Q 7.18 4.49 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.22 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 34 A 7.36 4.48 0.16 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 0.00 0.00 35 P 0.00 4.32 0.00 2.06 2.27 0.00 3.49 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 1.97 1.94 0.00 36 D 8.03 5.24 0.00 2.51 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 0.00 0.00 0.00 37 G 9.18 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.34 5.15 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 0.70 0.00 0.00 0.55 0.00 0.00 39 V 8.63 4.50 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 0.81 0.00 0.00 0.81 0.00 0.00 40 L 8.67 4.60 0.00 1.49 1.48 0.58 -0.22 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 41 L 8.59 4.63 0.00 0.81 0.50 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.53 5.03 0.00 4.02 4.01 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 43 S 8.45 4.95 0.00 3.85 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 44 D 8.50 4.38 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.33 2.20 0.00 3.82 0.00 0.00 4.15 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 46 K 8.06 4.03 0.00 1.73 1.89 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 47 R 8.19 3.95 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.87 4.45 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 1.32 0.00 0.00 49 P 0.00 4.71 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.37 4.23 0.00 2.07 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 2.34 2.41 0.00 51 V 7.10 3.79 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 0.89 0.00 0.00 1.06 0.00 0.00 52 S 8.01 4.41 0.00 3.94 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 53 D 8.37 4.54 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.23 4.28 0.00 2.71 2.91 0.00 0.00 6.95 7.69 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 55 P 0.00 4.56 0.00 2.28 2.34 0.00 3.74 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 2.19 2.28 0.00 56 V 7.33 3.35 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 1.00 0.00 0.00 1.00 0.00 0.00 *58 I 7.92 3.98 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.56 0.00 0.00 59 G 8.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.11 4.35 0.00 2.37 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 2.71 2.60 0.00 61 L 8.30 4.04 0.00 1.59 1.74 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.90 3.62 0.00 1.91 1.59 0.69 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.77 4.79 0.00 3.38 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.99 4.39 0.00 2.51 1.83 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 2.49 3.02 0.00 65 F 8.69 5.05 0.00 3.76 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 66 P 0.00 4.55 0.00 2.11 2.22 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 67 D 8.35 4.34 0.00 2.01 2.44 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 68 Y 7.51 4.38 0.00 1.45 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 0.00 0.00 0.00 69 T 7.74 4.32 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 1.16 0.00 0.00 70 W 7.67 4.95 0.00 3.31 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 71 Q 9.19 4.69 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 72 V 8.64 4.64 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 -0.48 0.00 0.00 0.46 0.00 0.00 73 A 8.91 4.89 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.35 4.82 1.72 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.90 0.00 0.00 75 A 8.42 5.33 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 76 D 8.60 4.81 0.00 2.56 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 0.00 0.00 0.00 77 L 7.75 3.75 0.00 1.41 1.54 0.56 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.93 3.94 0.00 2.10 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 2.34 2.40 0.00 79 Q 9.15 4.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 80 S 8.52 4.27 0.00 4.08 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 81 E 8.15 4.09 0.00 2.18 2.01 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 2.35 2.61 0.00 82 A 7.91 3.99 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 83 I 8.46 3.91 1.98 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 1.55 1.13 0.98 0.00 0.00 84 G 8.52 3.76 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 0.00 0.00 0.00 85 D 8.26 4.17 0.00 2.93 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 86 R 7.91 3.95 0.00 1.78 2.14 0.00 3.21 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.36 0.00 87 F 7.73 4.56 0.00 2.92 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 88 G 7.47 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 0.00 0.00 0.00 89 A 7.75 4.33 1.41 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 0.00 0.00 90 F 8.54 4.59 0.00 3.03 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 91 R 7.85 4.47 0.00 1.76 1.89 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.32 5.26 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 93 P 0.00 4.63 0.00 2.08 1.96 0.00 3.59 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 2.15 2.16 0.00 94 A 8.41 5.20 1.19 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 0.00 0.00 95 T 8.43 4.78 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 1.00 0.00 0.00 96 L 8.84 4.66 0.00 1.70 1.50 0.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.63 4.75 1.87 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 0.80 0.00 0.00 0.71 0.00 0.00 98 F 9.64 5.41 0.00 3.19 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 99 T 9.05 4.79 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 1.41 0.00 0.00 100 G 9.34 4.01 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 0.00 101 G 8.68 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 0.00 102 N 8.28 5.07 0.00 2.95 2.75 0.00 0.00 6.65 7.25 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 0.00 103 Y 8.75 4.10 0.00 2.82 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 0.00 104 R 9.29 3.96 0.00 1.50 1.90 0.00 3.52 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 105 G 5.38 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 0.00 106 V 7.48 4.83 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 0.85 0.00 0.00 1.00 0.00 0.00 107 L 8.92 4.51 0.00 1.47 1.54 0.68 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.80 5.32 0.00 2.86 2.81 0.00 0.00 6.44 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.75 4.51 1.87 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 1.41 1.00 0.88 0.00 0.00 111 H 8.53 5.01 0.00 3.03 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.24 2.06 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 113 W 9.16 3.91 0.00 3.48 3.30 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 0.00 114 A 8.31 4.28 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.92 4.22 0.00 2.10 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 2.33 2.34 0.00 116 L 7.43 3.97 0.00 1.64 1.03 0.62 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.00 3.52 1.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.95 0.00 0.00 118 N 7.71 4.59 0.00 3.09 3.06 0.00 0.00 7.03 6.55 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 0.00 119 L 7.41 3.93 0.00 1.82 1.56 0.60 0.44 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 *121 R 8.17 4.31 0.00 2.20 2.16 0.00 3.26 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 122 G 7.89 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 0.00 0.00 0.00 123 L 7.20 4.34 0.00 1.50 1.51 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.50 4.11 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 0.35 0.00 0.00 0.82 0.00 0.00 125 E 7.90 4.26 0.00 1.93 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 2.30 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.