NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4654 8.3049 118.3253 55.4667 32.9391 174.1718 2 T 4.0648 7.6042 114.4453 62.3404 70.0362 170.7210 3 E 4.8965 9.1497 126.0794 54.5499 32.7526 174.2258 4 Y 5.2894 8.8135 123.5154 56.2555 41.9649 174.6705 5 K 4.8988 9.2828 123.5942 55.0077 34.1444 175.0501 6 L 4.9120 8.6923 126.0146 53.0068 44.2252 176.0713 7 V 4.5477 8.5000 123.2803 61.0874 33.8209 174.2674 8 V 4.5372 8.1718 128.3867 61.9717 32.8355 175.1981 9 V 4.4069 9.7747 120.4385 58.7028 35.5435 175.1098 10 G 4.0786 7.7997 112.7342 44.2260 0.0000 171.8808 11 A 4.3113 7.4822 122.3703 51.1266 18.8766 177.6892 12 G 3.7156 8.6716 109.9859 47.1901 0.0000 173.7117 13 G 3.9163 8.8322 110.8607 46.4846 0.0000 174.8308 14 V 3.8795 7.2630 112.7297 61.3620 32.2212 177.2426 15 G 4.2651 8.5219 109.2947 45.6064 0.0000 175.6783 16 K 3.8280 8.5635 120.5199 59.5551 31.9903 179.1530 17 S 4.7128 8.2668 115.5497 61.0572 62.6478 176.1195 18 A 4.0522 8.0903 121.7059 55.4761 18.3094 179.1966 19 L 4.1015 7.9718 116.9708 58.2994 41.7720 179.5494 20 T 3.7652 7.7635 114.9698 67.1281 68.5363 176.7024 21 I 3.8077 8.1149 121.0887 63.8099 36.9718 178.1518 22 Q 4.1707 8.0699 120.8889 58.5236 28.6432 177.4399 23 L 3.9331 7.6090 120.2428 57.4173 42.3329 178.1948 24 I 4.0604 7.4922 118.8634 63.1473 37.6491 177.0876 25 Q 4.5439 8.0276 117.3905 56.0619 29.4818 175.7481 26 N 4.8520 8.7104 112.3362 52.9392 36.1844 173.4737 27 H 4.9087 7.5315 111.6457 54.3360 31.8637 172.5223 28 F 4.7584 8.5717 122.9365 57.2119 39.7443 175.2324 29 V 3.2111 7.6007 128.3865 63.3210 31.7185 177.1373 30 D 4.4048 7.0479 119.7494 53.7436 39.5114 173.9061 31 E 5.4513 6.9374 118.4914 56.4498 31.3449 178.4119 *38 D 4.3525 7.6138 117.6678 54.9121 41.9484 175.1367 39 S 4.7257 7.8776 115.3102 56.8682 66.6469 172.4960 40 Y 4.5886 9.5511 123.8072 56.5661 39.5263 175.8060 41 R 4.9548 8.2580 122.7507 54.2102 32.9649 175.7438 42 K 4.1453 7.9351 116.2536 55.9579 35.5946 173.2200 43 Q 4.6130 8.9469 129.6337 55.6428 30.0116 175.0204 44 V 4.5600 8.5295 117.9071 60.3218 36.9805 172.9172 45 V 4.7462 8.2933 122.6023 61.2439 33.2892 174.9148 46 I 4.1254 8.1337 128.5626 60.3333 39.2445 175.0765 47 D 4.2487 9.7106 126.1707 55.3396 37.9252 175.0748 48 G 4.1883 8.2879 113.6695 45.3082 0.0000 173.9946 49 E 3.8433 7.7735 120.0462 56.3504 30.0043 175.6405 50 T 4.9549 8.1765 119.3466 61.0095 69.8365 172.8047 51 C 4.9419 8.7756 121.1763 57.3656 33.8285 172.0485 52 L 4.9144 8.6373 122.5445 53.6386 43.5021 175.0691 53 L 4.7243 8.8605 127.3755 53.7631 43.2241 175.4750 54 D 5.0430 9.2159 126.5290 52.9287 42.0501 174.4830 55 I 4.7802 8.8954 127.8752 59.7462 38.8227 174.7778 56 L 4.8448 8.6688 130.6026 53.2947 43.3239 174.4244 57 D 4.8647 8.7254 127.4575 54.2238 42.3466 175.6779 58 T 4.8386 7.9984 115.1438 59.8544 71.3763 174.0748 59 A 4.4234 8.5221 124.6637 51.2683 20.9164 176.6964 60 G 3.8993 9.1789 109.7130 46.1278 0.0000 175.9877 61 Q 4.0430 9.4047 121.0186 55.2242 30.3272 176.9665 62 E 4.4063 8.4514 119.5246 55.1633 27.7558 176.8259 63 E 4.7491 7.7912 125.8796 56.4794 30.5757 175.9853 *71 Y 4.8460 7.6426 117.1303 57.2699 40.4106 176.3744 72 M 4.5204 8.1898 116.8781 55.2198 33.8550 176.5199 73 R 4.2532 8.1387 117.6638 57.9826 30.8623 177.2664 74 T 4.1673 8.0983 107.3341 64.2335 69.5144 175.7088 75 G 3.6157 7.9643 109.5767 45.9957 0.0000 172.3993 76 E 4.3168 8.9563 121.9648 57.0350 31.0866 176.9427 77 G 4.1545 7.5492 104.8969 44.1479 0.0000 171.7321 78 F 5.3855 9.0271 120.9077 55.4254 42.7551 174.6512 79 L 4.8133 8.9742 123.6529 53.2488 43.0348 175.0043 80 C 4.6199 8.8127 122.8647 59.1363 28.8578 173.0238 81 V 5.0338 8.3397 124.7099 61.3254 33.4911 174.7933 82 F 5.1539 8.6655 119.2599 55.7262 41.8679 172.8020 83 A 5.0343 8.8649 122.7256 50.7507 20.4449 178.4988 84 I 4.1373 8.6307 114.4247 62.4499 38.0691 176.9979 85 N 4.9402 8.0325 117.0659 51.8272 37.0775 175.0188 86 N 4.8423 8.1581 117.1908 51.6480 40.7610 174.4588 87 T 3.9501 8.4268 125.0709 66.3520 68.7542 176.0926 88 K 4.2588 8.3661 122.5989 59.0479 32.1078 178.7080 89 S 4.3015 8.2416 112.9452 61.5688 62.6976 175.8852 90 F 3.9910 7.9808 123.6209 60.9686 39.0411 177.0074 91 E 3.8774 8.3279 117.6333 58.5085 29.3903 178.2115 92 D 4.5972 8.0451 118.3753 55.4339 41.0935 178.3107 93 I 3.8563 7.2408 121.2386 64.9132 37.1492 177.2098 94 H 4.2908 8.2297 119.5505 58.6346 29.4719 176.4495 95 Q 3.7720 7.8202 120.4398 59.5283 28.3663 178.1431 96 Y 4.0051 7.5544 116.9500 60.9927 37.9498 177.9913 97 R 3.6721 8.3040 120.0802 59.7035 29.9322 178.3555 98 E 3.8018 7.9631 117.9413 59.3610 29.5562 178.9264 99 Q 3.8930 8.0178 119.4978 59.1789 28.7141 178.5598 100 I 3.3948 7.6904 120.6372 64.0000 37.5101 177.7187 101 K 3.7847 8.0183 120.5719 59.9844 31.7071 178.1503 102 R 4.0354 8.1093 119.2736 58.8665 30.0237 180.1405 103 V 4.2217 7.6443 112.7068 60.7807 30.8493 177.4716 104 K 4.1759 9.1372 115.3892 59.4916 34.9016 177.8860 105 D 4.2479 7.7212 116.0251 55.1296 37.1193 175.3080 106 S 4.6265 7.5268 113.6678 57.1334 66.1626 173.6765 107 D 4.4786 8.7265 126.7521 55.8196 41.1007 176.0305 108 D 4.6846 7.8670 117.9014 51.3962 41.0245 174.9718 109 V 4.3995 8.1210 123.2274 59.6404 34.4863 173.1274 110 P 4.3146 0.0000 0.0000 64.0334 32.0082 174.7561 111 M 5.4590 8.0937 120.5928 55.8683 35.2864 173.8071 112 V 4.5268 7.8649 122.8524 60.9900 35.5792 173.7680 113 L 4.9134 9.0561 130.3397 54.6632 43.6879 175.3585 114 V 4.7463 9.5052 126.2460 61.0981 34.7054 174.3713 115 G 3.3706 8.6226 116.0085 44.5198 0.0000 172.6627 116 N 5.6028 8.5378 126.6631 51.4351 41.5903 174.5274 117 K 3.9759 8.6783 116.3703 57.3462 29.1298 177.3276 118 C 4.3917 8.1829 110.2633 59.2183 29.2101 173.4389 119 D 4.5172 7.9008 119.6186 53.8995 39.6454 176.3946 120 L 4.3661 7.5251 119.6894 53.9460 43.1513 175.7940 121 A 4.5180 8.2868 120.4467 52.4768 20.6090 177.6449 122 A 4.3122 7.6601 120.9151 50.6422 17.1191 175.0444 123 R 4.7907 7.7078 120.5786 54.3630 31.7268 175.9681 124 T 4.4226 8.8568 114.3454 61.1065 69.6662 173.9651 125 V 4.2111 7.4355 121.5408 60.8282 33.3163 174.8660 126 E 4.1818 8.9976 127.7066 56.3200 30.2632 178.7032 127 S 4.1993 8.6055 117.3223 61.7288 63.0066 176.7835 128 R 4.0247 8.0654 120.9708 59.5306 29.4641 178.5359 129 Q 3.8554 7.6319 117.7037 58.8593 28.6706 178.4157 130 A 4.0682 7.5442 121.2642 54.9625 18.2796 179.3628 131 Q 3.8512 8.2896 116.8612 59.2872 28.8632 178.6634 132 D 4.3311 7.7326 119.1955 57.6436 41.0921 179.0161 133 L 3.5903 7.6256 120.2351 57.8489 41.8757 178.9245 134 A 4.2194 8.0619 121.0217 55.2037 18.1346 179.8204 135 R 3.8463 8.0759 116.1441 59.3403 30.2812 179.1716 136 S 4.2216 7.9487 112.1658 60.4974 63.0321 174.9974 137 Y 4.8525 7.5644 119.2594 58.2295 38.6258 177.2048 138 G 4.1533 9.0388 106.8282 44.7267 0.0000 172.8167 139 I 4.5666 7.2601 112.1585 58.5259 40.1006 173.7837 140 P 4.6870 0.0000 0.0000 62.6415 32.8781 174.5135 141 Y 5.4233 8.5268 122.4736 56.1201 41.3451 174.7977 142 I 4.3282 8.1957 125.9012 59.5164 41.9667 173.7486 143 E 4.9135 8.3285 125.0818 54.9882 31.2585 175.3821 144 T 4.7652 8.6545 113.1452 60.0686 73.1992 173.0531 145 S 4.6116 8.7720 116.3524 56.3018 64.4469 174.4182 146 A 4.0668 8.5191 130.6629 53.7999 18.2950 178.4457 147 K 2.6562 7.2087 116.9233 58.5686 32.6708 177.4582 148 T 4.1083 7.6633 106.5148 60.9130 68.8094 175.3353 149 R 3.6758 7.7698 119.8558 57.0764 30.0617 175.5818 150 Q 4.0322 7.8279 118.3604 58.1068 29.5751 177.9153 151 G 3.9331 8.8239 111.7161 46.4208 0.0000 175.3387 152 V 3.5970 7.2901 118.8618 66.0254 31.1303 177.7557 153 E 3.5880 7.8900 117.5089 58.9370 29.6488 178.0137 154 D 4.3758 8.0413 118.1946 57.6566 40.9111 178.4065 155 A 3.8496 7.8978 120.6393 55.7106 18.1844 179.7424 156 F 4.0051 7.7583 114.8917 60.8572 39.0815 177.7019 157 Y 4.5958 8.4106 116.6859 61.1048 37.5946 178.4146 158 T 3.9545 8.4171 117.6023 66.4635 68.3539 176.4601 159 L 3.8977 7.6512 121.1703 58.0099 42.2809 179.1095 160 V 3.3952 7.5582 117.9801 66.0580 31.2288 178.2931 161 R 3.9373 8.0191 117.6586 59.2961 29.7104 178.9613 162 E 4.0782 8.2808 118.6408 59.3073 29.5066 179.2357 163 I 3.8726 7.6294 119.6681 63.7934 36.9452 178.1167 164 R 4.2378 7.2342 116.2559 57.9170 29.9279 177.5546 165 Q 4.4479 7.3796 117.0900 56.0828 28.8028 175.4556 166 H 4.4707 7.9413 123.2067 56.0252 29.6051 173.3083 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 M 8.30 4.47 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 2 T 7.60 4.06 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 0.82 0.00 0.00 3 E 9.15 4.90 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 4 Y 8.81 5.29 0.00 2.97 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 5 K 9.28 4.90 0.00 1.68 1.71 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 L 8.69 4.91 0.00 1.70 1.59 1.18 0.47 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 7 V 8.50 4.55 1.79 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 1.12 0.00 0.00 0.55 0.00 0.00 8 V 8.17 4.54 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 0.84 0.00 0.00 0.98 0.00 0.00 9 V 9.77 4.41 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 0.67 0.00 0.00 0.80 0.00 0.00 10 G 7.80 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 11 A 7.48 4.31 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 12 G 8.67 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 13 G 8.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.26 3.88 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 0.83 0.00 0.00 0.96 0.00 0.00 15 G 8.52 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 16 K 8.56 3.83 0.00 1.80 1.86 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 17 S 8.27 4.71 0.00 3.87 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 18 A 8.09 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.97 4.10 0.00 1.98 1.92 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.76 3.77 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 0.48 0.00 0.00 21 I 8.11 3.81 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.92 0.00 0.00 22 Q 8.07 4.17 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 23 L 7.61 3.93 0.00 1.24 1.38 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.49 4.06 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.97 1.02 0.00 0.00 25 Q 8.03 4.54 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.20 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 N 8.71 4.85 0.00 2.77 2.99 0.00 0.00 7.07 8.16 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 27 H 7.53 4.91 0.00 3.39 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.57 4.76 0.00 2.85 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.60 3.21 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 0.84 0.00 0.00 0.87 0.00 0.00 30 D 7.05 4.40 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 6.94 5.45 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 *38 D 7.61 4.35 0.00 2.73 3.02 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 0.00 0.00 0.00 39 S 7.88 4.73 0.00 3.67 3.77 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 40 Y 9.55 4.59 0.00 2.88 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 41 R 8.26 4.95 0.00 1.69 1.86 0.00 3.48 0.00 0.00 3.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 42 K 7.94 4.15 0.00 1.83 1.61 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.38 7.81 43 Q 8.95 4.61 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 44 V 8.53 4.56 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 0.68 0.00 0.00 1.05 0.00 0.00 45 V 8.29 4.75 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 0.86 0.00 0.00 0.91 0.00 0.00 46 I 8.13 4.13 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.52 0.61 0.00 0.00 47 D 9.71 4.25 0.00 2.79 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 48 G 8.29 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 0.00 0.00 0.00 49 E 7.77 3.84 0.00 2.01 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 0.00 2.36 2.32 0.00 50 T 8.18 4.95 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 1.18 0.00 0.00 51 C 8.78 4.94 0.00 2.84 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 52 L 8.64 4.91 0.00 1.73 1.51 0.99 0.96 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 53 L 8.86 4.72 0.00 1.88 1.64 1.13 0.95 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 54 D 9.22 5.04 0.00 2.73 2.67 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 0.00 0.00 0.00 55 I 8.90 4.78 1.90 0.00 0.00 0.52 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 0.64 0.96 0.00 0.00 56 L 8.67 4.84 0.00 1.83 1.59 1.06 0.89 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 57 D 8.73 4.86 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.84 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 1.33 0.00 0.00 59 A 8.52 4.42 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 60 G 9.18 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 61 Q 9.40 4.04 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.40 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 62 E 8.45 4.41 0.00 2.12 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 2.27 2.31 0.00 63 E 7.79 4.75 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 *71 Y 7.64 4.85 0.00 3.18 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 72 M 8.19 4.52 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.33 0.00 73 R 8.14 4.25 0.00 1.87 2.04 0.00 3.28 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 74 T 8.10 4.17 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 1.29 0.00 0.00 75 G 7.96 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 0.00 0.00 0.00 76 E 8.96 4.32 0.00 1.90 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 2.29 2.25 0.00 77 G 7.55 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 0.00 0.00 0.00 0.00 78 F 9.03 5.39 0.00 2.91 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 79 L 8.97 4.81 0.00 1.56 1.45 0.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.81 4.62 0.00 2.96 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 81 V 8.34 5.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 82 F 8.67 5.15 0.00 3.29 3.18 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 83 A 8.86 5.03 1.40 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 84 I 8.63 4.14 1.93 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 1.35 1.19 0.95 0.00 0.00 85 N 8.03 4.94 0.00 2.94 2.96 0.00 0.00 6.08 8.04 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 86 N 8.16 4.84 0.00 2.86 2.81 0.00 0.00 7.22 6.49 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 87 T 8.43 3.95 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 1.26 0.00 0.00 88 K 8.37 4.26 0.00 1.86 1.86 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.39 7.81 89 S 8.24 4.30 0.00 4.24 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.98 3.99 0.00 2.77 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 91 E 8.33 3.88 0.00 2.24 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 2.36 2.59 0.00 92 D 8.05 4.60 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 93 I 7.24 3.86 1.67 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 1.56 0.74 0.99 0.00 0.00 94 H 8.23 4.29 0.00 3.21 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.82 3.77 0.00 2.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 96 Y 7.55 4.01 0.00 3.09 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.30 3.67 0.00 1.50 2.02 0.00 2.73 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.42 0.00 98 E 7.96 3.80 0.00 2.04 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 0.00 2.17 2.24 0.00 99 Q 8.02 3.89 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 100 I 7.69 3.39 1.68 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.49 0.21 0.00 0.00 101 K 8.02 3.78 0.00 1.80 1.89 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.70 7.81 102 R 8.11 4.04 0.00 2.03 1.96 0.00 3.13 0.00 0.00 3.14 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 103 V 7.64 4.22 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 0.80 0.00 0.00 1.00 0.00 0.00 104 K 9.14 4.18 0.00 1.64 1.77 0.00 2.02 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.39 7.81 105 D 7.72 4.25 0.00 2.74 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 0.00 106 S 7.53 4.63 0.00 3.93 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 0.00 107 D 8.73 4.48 0.00 2.72 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 0.00 108 D 7.87 4.68 0.00 2.71 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 0.00 109 V 8.12 4.40 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 1.03 0.00 0.00 0.93 0.00 0.00 110 P 0.00 4.31 0.00 2.27 1.99 0.00 3.69 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 2.08 2.19 0.00 111 M 8.09 5.46 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 112 V 7.86 4.53 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 0.96 0.00 0.00 0.92 0.00 0.00 113 L 9.06 4.91 0.00 2.05 2.00 1.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.51 4.75 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 0.72 0.00 0.00 0.78 0.00 0.00 115 G 8.62 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.54 5.60 0.00 2.68 2.68 0.00 0.00 7.08 5.91 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 0.00 117 K 8.68 3.98 0.00 1.99 1.87 0.00 2.18 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.34 7.81 118 C 8.18 4.39 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 7.90 4.52 0.00 2.80 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 0.00 120 L 7.53 4.37 0.00 1.64 1.64 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.29 4.52 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 0.00 122 A 7.66 4.31 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 0.00 123 R 7.71 4.79 0.00 1.78 1.83 0.00 3.18 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 124 T 8.86 4.42 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 1.22 0.00 0.00 125 V 7.44 4.21 2.09 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 -0.10 0.00 0.00 0.81 0.00 0.00 126 E 9.00 4.18 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 127 S 8.61 4.20 0.00 3.92 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 0.00 128 R 8.07 4.02 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 129 Q 7.63 3.86 0.00 2.04 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 130 A 7.54 4.07 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 0.00 131 Q 8.29 3.85 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 132 D 7.73 4.33 0.00 2.82 2.67 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 0.00 0.00 0.00 133 L 7.63 3.59 0.00 1.56 1.72 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.06 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.08 3.85 0.00 1.91 1.99 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 136 S 7.95 4.22 0.00 3.89 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 0.00 137 Y 7.56 4.85 0.00 3.28 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 0.00 138 G 9.04 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 0.00 0.00 0.00 0.00 139 I 7.26 4.57 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.98 0.00 0.00 140 P 0.00 4.69 0.00 2.13 2.04 0.00 3.70 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 2.13 2.11 0.00 141 Y 8.53 5.42 0.00 2.95 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 0.00 142 I 8.20 4.33 1.68 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 1.11 0.46 0.74 0.00 0.00 143 E 8.33 4.91 0.00 1.67 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 144 T 8.65 4.77 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 1.06 0.00 0.00 145 S 8.77 4.61 0.00 3.76 3.61 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 0.00 146 A 8.52 4.07 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 0.00 147 K 7.21 2.66 0.00 0.79 1.28 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.09 0.83 7.81 148 T 7.66 4.11 4.17 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 0.00 0.00 0.00 1.10 0.00 0.00 149 R 7.77 3.68 0.00 1.91 1.94 0.00 3.09 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 150 Q 7.83 4.03 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 151 G 8.82 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 0.00 0.00 0.00 152 V 7.29 3.60 2.13 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 1.07 0.00 0.00 0.91 0.00 0.00 153 E 7.89 3.59 0.00 1.91 1.63 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 1.90 2.22 0.00 154 D 8.04 4.38 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.90 3.85 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 0.00 156 F 7.76 4.01 0.00 3.03 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 0.00 157 Y 8.41 4.60 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.42 3.95 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 159 L 7.65 3.90 0.00 1.56 1.86 0.97 0.95 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 0.00 160 V 7.56 3.40 2.26 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 0.78 0.00 0.00 1.00 0.00 0.00 161 R 8.02 3.94 0.00 2.02 1.96 0.00 3.20 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 162 E 8.28 4.08 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 163 I 7.63 3.87 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.84 0.00 0.00 164 R 7.23 4.24 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 165 Q 7.38 4.45 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 166 H 7.94 4.47 0.00 3.32 3.14 0.00 5.69 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 * Residues marked with a * may have inaccurate shift predictions.