NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3848 8.2649 123.5907 51.8238 20.4873 175.9470 2 T 4.6423 8.1902 115.7079 62.6648 72.0074 171.7499 3 K 5.3332 9.0207 125.5398 54.8299 37.1261 174.6231 4 A 5.4199 9.1332 124.0874 50.8228 23.4395 175.0540 5 V 4.9991 8.7259 117.2133 60.8650 35.4039 173.3916 6 C 4.9286 9.2142 122.1353 57.9671 35.3856 172.6442 7 V 4.5976 8.4262 125.9591 61.4849 32.9037 174.2457 8 L 4.7501 8.7984 129.3831 54.0311 43.2629 176.2720 9 K 4.9991 8.8405 122.3616 54.9933 36.8616 175.6272 10 G 4.8918 8.5793 109.3493 46.3437 0.0000 172.2903 11 D 4.8472 8.9318 120.5649 53.2761 41.0773 177.4788 12 G 4.8243 8.1028 123.0599 46.7138 0.0000 170.7222 13 P 4.5074 0.0000 0.0000 61.5114 32.3681 175.4027 14 V 4.7139 8.4034 123.6212 61.6443 33.0425 174.5964 15 Q 5.5570 8.0533 124.4437 56.1929 32.2996 173.4726 16 G 4.5799 8.0351 106.6740 46.8691 0.0000 171.6092 17 I 5.0367 8.0066 119.7436 59.3430 40.5117 174.9007 18 I 4.6105 8.7894 127.9421 59.4813 39.9643 174.5154 19 N 4.9747 8.3089 124.2650 51.4480 41.2257 173.9624 20 F 5.4054 8.8072 119.4682 55.8587 43.3172 173.6829 21 E 5.2320 9.7379 123.1895 54.7453 33.6268 173.7067 22 Q 4.8202 9.4607 127.5789 54.3554 31.3918 175.9662 23 K 4.1890 9.0427 127.3999 58.9243 32.6906 177.1107 24 E 4.8115 7.7276 114.6099 54.2726 32.5052 176.1794 25 S 4.1358 8.6931 114.6163 60.8582 63.2400 174.6156 26 N 4.7146 8.2015 117.0362 52.3498 37.2336 174.1238 27 G 4.1838 7.7563 108.1214 42.8966 0.0000 171.2544 28 P 4.6795 0.0000 0.0000 62.6312 32.6059 175.7950 29 V 4.5476 8.7755 121.3689 61.6072 33.3879 174.7190 30 K 4.9079 9.1679 128.1257 55.6079 33.8400 175.7961 31 V 4.8569 9.1496 125.4424 60.7963 34.2020 174.2479 32 W 6.1201 7.8087 123.7704 55.2735 31.9552 175.6019 33 G 3.8322 7.5952 105.8419 45.9937 0.0000 170.7433 34 S 5.1287 7.7806 113.4869 56.7663 66.5606 174.2272 35 I 5.1021 8.7575 126.2025 59.3673 40.7204 174.7744 36 K 4.7732 9.3763 126.1054 55.6729 35.7585 177.1120 37 G 3.8559 8.8731 107.4456 46.6692 0.0000 173.3768 38 L 4.5047 7.8158 119.8983 52.9049 43.1987 176.4748 39 T 4.3368 8.1407 111.1875 61.0709 69.5155 174.0414 40 E 4.1187 8.5909 124.5738 57.4586 30.4379 175.0880 41 G 3.7556 8.4334 110.7565 43.9804 0.0000 172.1563 42 L 4.9384 8.2032 118.7627 54.4768 42.9882 176.4394 43 H 5.0141 9.2460 119.6406 53.6152 32.7598 173.4641 44 G 4.0551 9.0899 110.8079 46.7264 0.0000 172.5837 45 F 5.4608 8.8831 124.6902 57.2144 42.4753 172.9148 46 H 5.1024 8.9723 122.6936 54.1838 33.8924 172.7079 47 V 4.4115 8.5770 121.7235 62.5515 32.2773 175.1731 48 H 5.1239 9.3231 125.4272 54.4654 30.6875 175.9517 49 E 3.7915 8.9577 122.0791 58.6925 29.4385 177.2066 50 F 5.0424 8.1186 117.7480 55.7337 41.3780 175.9306 51 G 4.1614 8.4649 112.0999 44.7308 0.0000 173.7161 52 D 4.8485 8.1041 118.9207 52.5420 42.7374 174.9199 53 N 5.2558 8.4405 125.0931 53.1214 39.6048 177.0569 54 T 3.8544 8.5823 111.7414 64.0049 68.8244 174.7553 55 A 4.6460 8.3181 124.8308 51.4081 19.9821 177.4908 56 G 3.8531 7.8606 109.7658 47.0146 0.0000 174.5550 57 C 4.3506 8.6422 114.6723 60.0480 34.6304 175.5806 58 T 3.7420 7.9329 114.5785 65.1643 66.7089 175.8317 59 S 4.2979 7.7821 115.5278 60.6130 63.1337 175.7636 60 A 4.4760 7.5446 124.8768 54.1038 18.3072 178.5379 61 G 4.1320 8.2588 105.2914 44.5226 0.0000 170.6807 62 P 4.7079 0.0000 0.0000 62.0296 33.7949 175.4060 63 H 4.3549 8.4221 116.3816 55.7428 29.5406 175.6103 64 F 4.2767 9.1834 125.2708 58.0546 40.1678 175.0970 65 N 5.0114 7.8697 125.8423 51.5516 38.9030 172.9796 66 P 4.1705 0.0000 0.0000 64.9038 32.5399 177.9273 67 L 4.3787 7.6305 117.2303 53.7472 42.0188 176.4006 68 S 4.0706 7.6723 113.7051 59.6295 60.6774 172.5070 69 R 4.3942 7.2471 116.7182 54.8571 31.5190 176.3967 70 K 4.3910 8.6255 118.2058 56.0212 33.5713 176.6227 71 H 3.9534 8.6570 123.1270 56.8464 30.4689 174.9334 72 G 4.0009 8.0563 110.1218 45.4799 0.0000 172.0299 73 G 4.1352 8.8562 109.4792 43.3212 0.0000 173.3191 74 P 4.3903 0.0000 0.0000 65.2730 31.3178 177.6942 75 K 4.2184 7.9069 116.1857 57.3532 32.5264 176.6583 76 D 4.6579 7.6732 119.3663 53.4105 41.6816 176.3423 77 E 3.8917 8.7031 123.4410 58.8875 29.8755 176.4679 78 E 4.2529 7.9453 120.5826 55.3692 28.7695 174.9429 79 R 4.8001 7.6368 120.2218 55.5514 32.4273 174.6475 80 H 4.4797 8.9912 116.5972 55.2733 29.4429 177.0913 81 V 3.4684 8.2119 122.1031 66.3053 31.4188 177.2035 82 G 3.8932 8.3025 104.6855 47.1638 0.0000 173.4564 83 D 4.9915 8.2050 121.3618 53.7279 40.1665 175.8573 84 L 4.5154 8.5162 121.7250 53.1187 42.6095 178.2868 85 G 4.1020 8.5253 108.4712 46.1999 0.0000 173.9845 86 N 5.6198 8.6293 120.5436 51.3855 42.0619 173.5041 87 V 4.3435 8.6288 114.7146 60.0276 35.1127 174.8566 88 T 5.0146 8.2451 118.6181 61.8840 71.2158 172.9299 89 A 4.9679 9.0456 129.2727 50.4359 21.5340 176.9098 90 D 5.0334 8.5892 121.4144 51.8529 41.4695 177.1298 91 K 3.8786 8.4849 119.1470 59.7104 32.1106 177.2450 92 D 4.4888 8.1733 115.8607 54.4843 41.0393 176.8287 93 G 4.3395 8.5704 108.4934 44.7745 0.0000 172.6327 94 V 4.7518 7.9444 119.9102 60.8437 33.7321 174.2912 95 A 5.3033 8.8587 130.0969 49.7088 21.0398 175.2024 96 D 4.9519 8.6624 123.4282 53.3731 41.9647 176.1954 97 V 4.0730 8.7114 125.3035 61.6322 33.3805 175.1508 98 S 4.7186 8.4351 122.7954 57.7155 64.2357 172.8806 99 I 4.8405 9.2002 128.2952 59.4635 41.4221 174.3983 100 E 5.2468 8.8880 124.2877 54.6724 32.3075 174.9300 101 D 4.8791 9.2734 123.2437 52.9100 44.6717 175.8498 102 S 4.6414 9.0210 119.8784 58.6836 63.9563 174.8938 103 V 4.0691 7.9712 119.9588 64.4358 32.1756 176.2880 104 I 4.0823 7.8118 111.4397 61.0955 38.2251 174.6194 105 S 4.6611 8.4123 114.6266 57.4239 65.4374 174.1559 106 L 4.4465 9.0134 123.1850 54.3391 41.5746 176.2094 107 S 4.4387 7.8884 112.5400 57.9829 66.3500 174.8522 108 G 3.8690 8.4745 109.0855 44.8204 0.0000 173.4071 109 D 4.4768 8.6156 116.7339 56.8120 41.5255 177.1439 110 H 5.0290 8.1191 115.4411 55.7540 28.8816 174.0765 111 C 4.4408 7.9825 121.2364 59.7832 31.8162 173.4862 112 I 3.8910 8.0890 118.8787 60.3057 38.0063 175.6156 113 I 3.6728 7.2350 122.9811 62.9367 37.6066 176.3187 114 G 3.8019 9.3121 113.2644 45.4024 0.0000 172.8968 115 R 4.9641 7.4258 119.1211 54.7601 33.8692 174.5218 116 T 4.9684 7.8493 115.2702 62.0245 71.0661 173.8383 117 L 4.7465 8.5513 128.9128 54.2257 43.9263 175.4326 118 V 5.0031 8.8266 125.8418 60.9939 35.0261 174.2165 119 V 5.1510 8.6085 126.7956 60.4754 33.8904 174.7029 120 H 5.3411 8.8796 120.7322 54.0519 30.9756 174.5968 121 E 4.1985 9.3174 121.4658 58.9395 29.9528 176.7385 122 K 4.7446 8.3489 117.3727 53.8404 35.7270 175.8863 123 A 4.4143 8.2864 123.7034 52.1189 18.9608 176.3390 124 D 4.8892 9.2636 122.0154 53.8987 41.6580 176.1412 125 D 4.5851 9.2818 125.5897 53.1273 39.6463 176.8896 126 L 3.5089 9.8903 119.3205 56.0380 39.6310 176.0142 127 G 4.3229 8.6583 105.2128 45.7845 0.0000 174.7525 128 K 4.4571 7.9627 117.0759 56.0152 32.4330 177.4958 129 G 3.7037 8.0205 109.0677 45.1652 0.0000 175.6378 130 G 3.9516 8.2547 107.1438 45.9641 0.0000 172.6089 131 N 5.0307 7.3532 114.5068 49.9520 40.1010 174.2615 132 E 4.0408 8.8243 118.7087 59.5219 29.8306 178.6256 133 E 4.0366 8.1823 118.2957 59.0426 29.6937 178.3258 134 S 4.2021 8.2773 113.8441 61.0503 62.2208 175.2186 135 T 4.4937 7.4445 109.3388 61.3592 68.6822 175.4282 136 K 4.2810 7.7914 119.3526 58.2979 34.2069 177.1632 137 T 4.0538 8.0844 105.6021 60.2446 70.6278 175.2425 138 G 3.8374 8.1915 109.4816 45.1010 0.0000 173.1481 139 N 4.2990 7.9592 114.4502 54.3055 36.5226 174.7599 140 A 4.5260 7.5043 118.1135 51.0314 19.6596 179.8274 141 G 4.1081 7.9203 104.9925 45.0007 0.0000 173.7264 142 S 4.4133 8.4216 114.2326 58.5098 64.7095 174.0562 143 R 4.4362 8.3797 120.2528 55.4479 30.0189 176.4019 144 L 4.3707 8.9812 125.5926 57.1127 43.2405 176.8980 145 A 5.1005 7.7481 117.8027 51.4629 22.7550 173.9990 146 C 5.5622 8.1910 113.2859 55.6912 46.0785 172.6632 147 G 4.5604 8.1296 104.2910 46.3638 0.0000 172.3393 148 V 4.6040 8.2456 120.5445 61.9161 32.8970 175.4336 149 I 4.1284 8.7910 129.5268 60.9989 38.0021 175.3020 150 G 4.4354 8.8666 114.5034 43.8820 0.0000 172.2069 151 I 4.2522 8.3298 121.8555 61.1541 37.6037 175.4683 152 A 4.7010 8.6953 130.5027 50.6239 22.1479 177.0920 *153 Q 4.0930 8.4708 116.1029 55.3493 28.9461 176.2458 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.19 4.64 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 1.22 0.00 0.00 3 K 9.02 5.33 0.00 1.71 1.72 0.00 1.57 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.49 7.81 4 A 9.13 5.42 1.10 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 5 V 8.73 5.00 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 0.72 0.00 0.00 0.97 0.00 0.00 6 C 9.21 4.93 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.43 4.60 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.80 4.75 0.00 1.73 1.59 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.84 5.00 0.00 1.66 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.58 4.89 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 0.00 0.00 0.00 11 D 8.93 4.85 0.00 2.68 2.63 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 12 G 8.10 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.18 1.98 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 2.10 2.06 0.00 14 V 8.40 4.71 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 1.00 0.00 0.00 1.03 0.00 0.00 15 Q 8.05 5.56 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 16 G 8.04 4.58 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 0.00 0.00 0.00 17 I 8.01 5.04 1.81 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 1.32 1.16 0.82 0.00 0.00 18 I 8.79 4.61 1.82 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 1.25 1.22 0.44 0.00 0.00 19 N 8.31 4.97 0.00 1.44 1.45 0.00 0.00 6.38 8.11 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 20 F 8.81 5.41 0.00 2.90 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 21 E 9.74 5.23 0.00 2.46 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 2.31 2.38 0.00 22 Q 9.46 4.82 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 23 K 9.04 4.19 0.00 1.81 1.87 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.45 7.81 24 E 7.73 4.81 0.00 2.16 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 2.27 2.54 0.00 25 S 8.69 4.14 0.00 4.01 4.06 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 26 N 8.20 4.71 0.00 2.85 2.95 0.00 0.00 5.80 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 27 G 7.76 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 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.14 2.10 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.78 4.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.06 0.00 0.00 30 K 9.17 4.91 0.00 1.95 1.81 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.45 7.81 31 V 9.15 4.86 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 0.80 0.00 0.00 1.08 0.00 0.00 32 W 7.81 6.12 0.00 3.52 3.21 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 33 G 7.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.78 5.13 0.00 3.85 3.62 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 35 I 8.76 5.10 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 0.88 0.00 0.00 36 K 9.38 4.77 0.00 1.75 1.88 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.34 7.81 37 G 8.87 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 38 L 7.82 4.50 0.00 1.79 1.39 0.79 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.14 4.34 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 40 E 8.59 4.12 0.00 1.95 1.92 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 2.30 2.33 0.00 41 G 8.43 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 42 L 8.20 4.94 0.00 1.49 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.25 5.01 0.00 3.00 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.09 4.06 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 0.00 0.00 0.00 45 F 8.88 5.46 0.00 2.91 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 46 H 8.97 5.10 0.00 3.12 3.02 0.00 5.68 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 47 V 8.58 4.41 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 0.83 0.00 0.00 0.89 0.00 0.00 48 H 9.32 5.12 0.00 3.03 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.96 3.79 0.00 1.65 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 1.47 1.99 0.00 50 F 8.12 5.04 0.00 3.32 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 51 G 8.46 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 0.00 0.00 0.00 0.00 52 D 8.10 4.85 0.00 2.62 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 53 N 8.44 5.26 0.00 2.74 2.74 0.00 0.00 6.84 7.05 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 54 T 8.58 3.85 4.23 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 1.22 0.00 0.00 55 A 8.32 4.65 1.24 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 0.00 0.00 0.00 56 G 7.86 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 57 C 8.64 4.35 0.00 2.96 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 58 T 7.93 3.74 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 1.27 0.00 0.00 59 S 7.78 4.30 0.00 4.11 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 60 A 7.54 4.48 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 61 G 8.26 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.71 0.00 2.05 2.21 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 63 H 8.42 4.35 0.00 2.79 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.18 4.28 0.00 2.92 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 65 N 7.87 5.01 0.00 2.56 2.42 0.00 0.00 6.92 7.71 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 66 P 0.00 4.17 0.00 2.08 1.96 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 67 L 7.63 4.38 0.00 1.63 1.67 0.91 0.95 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 68 S 7.67 4.07 0.00 4.01 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 69 R 7.25 4.39 0.00 1.95 1.94 0.00 3.12 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 70 K 8.63 4.39 0.00 1.68 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 71 H 8.66 3.95 0.00 3.14 3.15 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.86 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 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.23 2.36 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 75 K 7.91 4.22 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 76 D 7.67 4.66 0.00 2.76 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 77 E 8.70 3.89 0.00 1.92 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 2.28 2.29 0.00 78 E 7.95 4.25 0.00 1.92 1.85 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 2.24 2.30 0.00 79 R 7.64 4.80 0.00 1.96 1.87 0.00 2.86 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 80 H 8.99 4.48 0.00 3.47 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.21 3.47 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.47 0.00 0.00 82 G 8.30 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 0.00 0.00 0.00 83 D 8.20 4.99 0.00 2.71 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 84 L 8.52 4.52 0.00 1.84 1.90 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.53 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 86 N 8.63 5.62 0.00 2.58 2.69 0.00 0.00 6.63 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 87 V 8.63 4.34 1.80 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 -0.15 0.00 0.00 0.75 0.00 0.00 88 T 8.25 5.01 4.21 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 1.20 0.00 0.00 89 A 9.05 4.97 1.26 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 90 D 8.59 5.03 0.00 2.92 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 91 K 8.48 3.88 0.00 1.83 1.88 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 92 D 8.17 4.49 0.00 2.81 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 93 G 8.57 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 94 V 7.94 4.75 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 0.92 0.00 0.00 0.92 0.00 0.00 95 A 8.86 5.30 1.14 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 0.00 0.00 96 D 8.66 4.95 0.00 2.56 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 97 V 8.71 4.07 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 0.75 0.00 0.00 0.63 0.00 0.00 98 S 8.44 4.72 0.00 3.90 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 99 I 9.20 4.84 1.99 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 1.30 0.63 1.02 0.00 0.00 100 E 8.89 5.25 0.00 1.84 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 2.23 2.28 0.00 101 D 9.27 4.88 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.02 4.64 0.00 3.92 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 0.00 103 V 7.97 4.07 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 0.82 0.00 0.00 0.95 0.00 0.00 104 I 7.81 4.08 1.95 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 1.50 0.81 1.04 0.00 0.00 105 S 8.41 4.66 0.00 3.83 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 0.00 106 L 9.01 4.45 0.00 1.76 1.64 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.89 4.44 0.00 3.93 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 0.00 108 G 8.47 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 0.00 109 D 8.62 4.48 0.00 2.65 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 0.00 110 H 8.12 5.03 0.00 3.28 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.98 4.44 0.00 3.08 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 0.00 112 I 8.09 3.89 1.61 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.16 0.97 0.00 0.00 113 I 7.24 3.67 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.83 0.00 0.00 114 G 9.31 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 0.00 115 R 7.43 4.96 0.00 1.59 1.83 0.00 2.21 0.00 0.00 2.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 116 T 7.85 4.97 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 1.21 0.00 0.00 117 L 8.55 4.75 0.00 1.79 1.52 0.44 0.55 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 0.00 118 V 8.83 5.00 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 0.76 0.00 0.00 119 V 8.61 5.15 2.30 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 0.71 0.00 0.00 1.04 0.00 0.00 120 H 8.88 5.34 0.00 3.28 3.56 0.00 5.66 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 0.00 121 E 9.32 4.20 0.00 2.09 2.04 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 2.36 2.33 0.00 122 K 8.35 4.74 0.00 1.76 1.68 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.29 4.41 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 0.00 124 D 9.26 4.89 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.28 4.59 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.89 3.51 0.00 1.85 1.85 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.66 4.32 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 0.00 128 K 7.96 4.46 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 129 G 8.02 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 0.00 0.00 0.00 130 G 8.25 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.35 5.03 0.00 2.83 2.80 0.00 0.00 6.76 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 0.00 132 E 8.82 4.04 0.00 2.06 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 2.38 2.37 0.00 133 E 8.18 4.04 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 134 S 8.28 4.20 0.00 4.07 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 0.00 135 T 7.44 4.49 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 1.24 0.00 0.00 136 K 7.79 4.28 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.37 7.81 137 T 8.08 4.05 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 1.14 0.00 0.00 138 G 8.19 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 0.00 139 N 7.96 4.30 0.00 3.02 2.92 0.00 0.00 6.83 6.74 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 0.00 140 A 7.50 4.53 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 0.00 141 G 7.92 4.11 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 0.00 0.00 0.00 142 S 8.42 4.41 0.00 3.96 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 0.00 143 R 8.38 4.44 0.00 1.68 1.85 0.00 3.18 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 144 L 8.98 4.37 0.00 1.68 1.70 0.96 0.69 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 0.00 145 A 7.75 5.10 1.26 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 0.00 146 C 8.19 5.56 0.00 3.06 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 0.00 147 G 8.13 4.56 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 0.00 0.00 0.00 148 V 8.25 4.60 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 0.77 0.00 0.00 0.95 0.00 0.00 149 I 8.79 4.13 1.79 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 1.03 0.39 0.41 0.00 0.00 150 G 8.87 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 0.00 0.00 0.00 0.00 151 I 8.33 4.25 1.85 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 1.25 0.53 0.91 0.00 0.00 152 A 8.70 4.70 1.24 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 0.00 0.00 0.00 *153 Q 8.47 4.09 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.