NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.3049 120.3248 54.7665 33.4193 175.2922 2 R 3.8507 8.3547 122.4608 56.2003 30.7686 174.2230 3 A 4.5765 7.7564 122.0449 50.2296 22.8601 174.0208 4 P 4.7129 0.0000 0.0000 62.6319 32.4536 177.0011 5 I 4.5723 7.9117 111.1238 58.5023 36.8010 173.1584 6 P 4.5012 0.0000 0.0000 65.8924 32.4318 178.8987 7 E 4.0736 8.3239 118.3388 58.7158 29.5770 175.6594 8 P 4.6936 0.0000 0.0000 62.7579 32.2461 175.3923 9 K 4.8384 9.2738 117.8788 53.6488 35.8544 174.4494 10 P 4.3978 0.0000 0.0000 64.7771 31.5184 176.7593 11 G 4.0434 9.3113 111.2046 45.0524 0.0000 173.3171 12 D 4.9770 8.0438 119.8660 53.3531 42.8340 176.0125 13 L 4.6964 9.4185 122.5201 54.9484 43.0365 176.1448 14 I 5.1231 9.0218 123.8743 59.4241 40.6655 174.3970 15 E 4.4283 9.0630 123.0117 54.3724 33.0312 175.2251 16 I 4.7559 7.9327 121.5587 59.3346 40.1779 174.8545 17 F 3.9903 8.8479 127.0028 57.3472 40.0490 175.2132 18 R 4.8370 8.5955 121.1108 53.4353 33.3410 175.1418 19 P 4.3026 0.0000 0.0000 65.6792 31.3096 177.4872 20 F 5.1166 8.2842 114.9703 57.8104 41.9191 173.4340 21 Y 4.6031 7.8612 117.1492 57.2923 40.0644 172.7941 22 R 4.3910 7.6751 115.1599 55.7784 32.9698 173.0266 23 H 4.9855 8.5461 118.6824 54.7018 34.1030 171.4897 24 W 5.4401 7.9309 118.5266 55.1525 33.1186 174.4130 25 A 4.9283 9.1222 123.5650 51.2824 23.1866 174.6904 26 I 5.0702 8.8934 118.5369 59.5650 41.8373 173.6220 27 Y 4.9738 9.1622 131.1810 57.8130 39.5014 176.0458 28 V 4.3502 8.4848 117.6412 60.5588 33.5216 174.9042 29 G 3.8066 6.6614 107.6273 44.9352 0.0000 173.0218 30 D 4.5539 8.4648 118.4429 52.2187 40.1731 176.9234 31 G 4.9440 6.1458 119.2125 46.7238 0.0000 171.0164 32 Y 5.0506 7.0982 116.9439 56.2478 41.7313 175.1494 33 V 5.0669 8.9890 113.9442 59.8498 36.5555 174.6248 34 V 4.9737 8.5667 122.8622 61.9725 34.0756 174.2236 35 H 5.1964 9.0048 120.9670 54.9096 32.2598 172.5681 36 L 4.6798 8.5445 118.4117 54.5335 42.4993 176.4069 37 A 4.6844 8.8248 122.6986 49.3557 23.0775 173.9574 38 P 4.5145 0.0000 0.0000 61.8057 32.4594 174.4674 39 P 4.1971 0.0000 0.0000 63.6569 30.7445 176.3376 40 S 4.7188 8.4387 116.2804 57.9733 65.0765 174.4413 41 E 4.8359 8.0807 118.7918 55.9902 30.6132 176.7409 42 V 4.4336 7.9019 110.6034 61.0770 34.9008 175.4403 43 A 4.6965 7.6843 120.3498 50.6588 21.8482 175.5213 44 G 3.8361 8.6338 108.4941 46.8056 0.0000 174.0292 45 A 4.0087 8.2559 117.3661 52.1991 16.4129 179.2916 46 G 4.1217 7.5422 103.5078 47.6839 0.0000 174.6785 47 A 4.5937 8.0245 118.3447 51.3353 20.5472 176.0019 48 A 4.6361 7.5792 120.1869 50.9704 22.4214 178.1402 49 S 4.2784 8.6024 114.7425 60.7208 62.6914 177.1831 50 V 3.6600 7.8097 115.5959 64.5667 30.9932 177.7421 51 M 4.0674 8.0153 117.4390 58.5662 31.1022 177.6970 52 S 4.3363 8.0975 112.7152 57.9454 63.0448 174.0620 53 A 3.7328 7.8788 123.5843 52.2773 16.5225 177.7053 54 L 4.4080 7.3224 119.4678 55.8385 43.3528 174.7497 55 T 4.7671 8.0222 120.9931 62.2859 73.2395 173.0372 56 D 4.9631 8.3551 119.5381 54.0191 41.6001 174.3429 57 K 5.0577 7.8312 115.3754 54.9838 36.9919 175.8738 58 A 4.6946 8.5207 122.2889 51.3265 23.3888 174.9533 59 I 4.8693 8.6178 118.3244 59.6488 41.8582 175.3103 60 V 4.1776 8.3904 125.6312 62.0893 32.7001 174.8985 61 K 5.0081 9.2413 128.4031 54.5923 36.4768 174.2651 62 K 5.1796 8.5643 123.2338 54.8868 34.9803 174.7148 63 E 4.9225 9.2060 124.6033 54.7103 34.9878 174.3894 64 L 3.4881 8.4262 123.4850 54.5487 43.0138 177.3881 65 L 3.6165 8.5180 128.3303 58.6700 41.6769 179.0460 66 Y 4.2763 7.0098 114.0938 60.2742 38.0514 177.4889 67 D 4.4307 7.9527 119.7773 57.2791 41.4066 178.3210 68 V 3.5465 7.5891 118.0763 65.8703 31.3433 177.5702 69 A 4.1947 8.3849 120.8108 54.5683 17.9060 179.3446 70 G 3.5452 7.7728 103.2948 46.7654 0.0000 175.4432 71 S 4.3403 7.6092 117.4258 60.8774 62.9993 173.2085 72 D 4.8042 7.6088 119.8245 54.7735 47.3800 174.7735 73 K 4.8069 8.0375 115.9641 56.2921 37.4092 173.5659 74 Y 5.1983 7.9596 117.9718 56.8595 40.6929 173.5784 75 Q 4.4504 9.0316 117.9696 54.4990 33.9975 174.0020 76 V 4.3429 8.1812 120.9601 62.3642 32.5762 176.3615 77 N 5.0687 8.7527 125.4008 52.9067 39.8643 173.0711 78 N 4.7216 8.4436 117.5995 52.6239 37.7155 176.0019 79 K 4.0278 8.7439 123.5464 59.1943 32.5606 177.9357 80 H 4.9355 8.7235 114.4195 55.4478 30.2760 174.3605 81 D 4.9097 8.1356 118.6345 55.6194 40.9110 176.3910 82 D 4.6489 7.9561 116.2849 55.7919 41.8468 176.4628 83 K 4.1619 7.7704 114.4847 58.2042 35.1326 175.5581 84 Y 4.9548 7.9385 114.2749 57.3871 42.6864 173.8968 85 S 5.3615 8.1843 112.8257 58.1606 65.0196 176.1510 86 P 4.4389 0.0000 0.0000 64.0777 31.9509 177.3357 87 L 4.7528 7.0680 118.8467 51.9021 44.1889 175.1911 88 P 4.5143 0.0000 0.0000 62.5068 33.4961 177.1184 89 C 3.9665 8.6497 116.7055 63.3382 27.9713 176.4599 90 S 4.1020 8.0838 115.8406 61.9012 62.4386 176.9222 91 K 4.0065 7.9642 120.2348 59.3641 31.8064 179.3394 92 I 3.6218 7.7264 120.0904 64.4643 36.9803 178.5555 93 I 3.7074 7.8978 120.8248 64.3068 36.9391 178.4111 94 Q 3.9723 8.4331 118.9531 59.4284 28.0513 179.0293 95 R 3.8349 8.1555 119.1037 58.7277 30.4298 178.3598 96 A 4.2231 8.0259 120.5292 55.6292 18.2227 179.5809 97 E 4.1081 8.2626 114.8933 58.7911 29.6439 178.7301 98 E 4.1046 8.0397 118.9861 58.2070 29.5683 177.5822 99 L 4.5363 7.7448 116.9989 53.7786 42.6680 176.6983 100 V 3.8633 7.3195 118.7875 64.4719 31.8834 175.9596 101 G 3.9991 9.1058 115.1579 44.8768 0.0000 173.6447 102 Q 4.4118 7.4369 117.8623 55.6824 30.5667 174.9174 103 E 4.9286 8.4975 119.1911 55.1671 31.8444 175.8396 104 V 4.2692 8.4861 114.6129 58.9835 36.0109 176.2303 105 L 4.7544 7.9699 122.6527 54.3794 42.1887 176.1568 106 Y 5.1823 6.7716 113.7643 53.6247 41.2587 174.8500 107 K 4.2766 9.0659 123.7042 56.5871 33.3342 177.2682 108 L 4.5488 8.2526 124.8481 55.3967 39.6444 177.3797 109 T 4.2447 7.5741 110.4296 62.1950 71.2300 174.4630 110 S 4.4276 9.0275 116.2676 62.1311 62.2420 176.4833 111 E 3.9267 8.2298 120.3697 59.6035 29.3056 179.0148 112 N 4.1809 8.0419 116.3974 56.2824 38.5070 177.4411 113 C 4.3785 8.5369 118.4675 62.7123 28.2199 175.5605 114 E 3.3149 8.3367 121.2840 59.3015 29.0604 178.2202 115 H 3.9790 8.2637 118.1585 59.2695 29.7181 176.7912 116 F 4.1771 8.2150 121.1092 61.4961 39.6421 177.2806 117 V 3.4901 8.2559 118.7216 64.6718 31.1711 178.0683 118 N 4.5144 8.3833 117.4427 56.0247 38.2032 176.7568 119 E 3.7957 7.8985 120.4059 58.9884 29.2815 179.0767 120 L 3.8458 7.1457 118.2100 57.6528 42.0018 178.9668 121 R 3.8105 7.6530 116.5644 58.4400 30.1630 176.2360 122 Y 4.6517 8.0912 113.4409 56.9957 39.5157 176.6306 123 G 4.0750 8.8985 110.2045 45.3879 0.0000 174.7003 124 V 4.3486 7.2207 110.7923 59.0292 35.7350 174.9954 125 A 4.1160 8.6372 124.9792 52.8368 18.0114 177.4232 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 4.45 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 R 8.35 3.85 0.00 1.82 1.76 0.00 3.29 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 3 A 7.76 4.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.71 0.00 2.25 2.15 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 5 I 7.91 4.57 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 1.10 0.00 0.00 6 P 0.00 4.50 0.00 2.23 2.25 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 7 E 8.32 4.07 0.00 1.99 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 2.32 2.31 0.00 8 P 0.00 4.69 0.00 2.02 1.98 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 9 K 9.27 4.84 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.57 7.81 10 P 0.00 4.40 0.00 1.96 1.72 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 11 G 9.31 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 0.00 0.00 0.00 12 D 8.04 4.98 0.00 2.84 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 13 L 9.42 4.70 0.00 1.74 1.85 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.02 5.12 1.88 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 1.32 0.99 0.93 0.00 0.00 15 E 9.06 4.43 0.00 1.16 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 2.07 2.01 0.00 16 I 7.93 4.76 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.98 0.90 0.00 0.00 17 F 8.85 3.99 0.00 2.97 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 18 R 8.60 4.84 0.00 1.28 1.86 0.00 3.31 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.00 19 P 0.00 4.30 0.00 2.19 2.24 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 20 F 8.28 5.12 0.00 2.93 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 21 Y 7.86 4.60 0.00 3.22 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 22 R 7.68 4.39 0.00 0.91 0.66 0.00 3.13 0.00 0.00 2.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.38 0.00 23 H 8.55 4.99 0.00 2.90 2.91 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 7.93 5.44 0.00 3.17 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 25 A 9.12 4.93 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 26 I 8.89 5.07 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.93 1.10 0.00 0.00 27 Y 9.16 4.97 0.00 2.97 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 28 V 8.48 4.35 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 0.81 0.00 0.00 0.96 0.00 0.00 29 G 6.66 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.46 4.55 0.00 2.62 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 G 6.15 4.94 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 32 Y 7.10 5.05 0.00 2.92 2.82 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 33 V 8.99 5.07 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 0.78 0.00 0.00 0.86 0.00 0.00 34 V 8.57 4.97 2.22 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 1.50 0.00 0.00 1.01 0.00 0.00 35 H 9.00 5.20 0.00 3.47 3.39 0.00 5.33 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.54 4.68 0.00 1.64 1.62 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.82 4.68 1.07 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 0.00 0.00 38 P 0.00 4.51 0.00 1.94 2.00 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 39 P 0.00 4.20 0.00 2.01 2.02 0.00 3.60 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 2.00 2.07 0.00 40 S 8.44 4.72 0.00 3.78 3.81 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 0.00 0.00 0.00 41 E 8.08 4.84 0.00 1.88 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 2.19 2.23 0.00 42 V 7.90 4.43 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 0.75 0.00 0.00 0.91 0.00 0.00 43 A 7.68 4.70 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 44 G 8.63 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 45 A 8.26 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.54 4.12 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 0.00 0.00 0.00 47 A 8.02 4.59 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 48 A 7.58 4.64 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 49 S 8.60 4.28 0.00 3.90 4.02 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 50 V 7.81 3.66 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 1.01 0.00 0.00 0.97 0.00 0.00 51 M 8.02 4.07 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 52 S 8.10 4.34 0.00 4.06 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 53 A 7.88 3.73 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 54 L 7.32 4.41 0.00 1.50 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.02 4.77 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 56 D 8.36 4.96 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.83 5.06 0.00 1.58 1.57 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.38 7.81 58 A 8.52 4.69 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 59 I 8.62 4.87 1.80 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 1.04 0.74 0.91 0.00 0.00 60 V 8.39 4.18 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 0.97 0.00 0.00 0.58 0.00 0.00 61 K 9.24 5.01 0.00 1.74 1.61 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 62 K 8.56 5.18 0.00 1.81 1.66 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.50 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.65 7.81 63 E 9.21 4.92 0.00 1.82 1.75 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 2.35 2.49 0.00 64 L 8.43 3.49 0.00 1.31 1.35 0.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.52 3.62 0.00 1.40 0.86 0.48 -0.52 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 66 Y 7.01 4.28 0.00 2.94 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 67 D 7.95 4.43 0.00 2.79 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 68 V 7.59 3.55 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 0.95 0.00 0.00 0.80 0.00 0.00 69 A 8.38 4.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.77 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.61 4.34 0.00 3.98 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 72 D 7.61 4.80 0.00 2.76 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 73 K 8.04 4.81 0.00 1.74 1.65 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.37 7.81 74 Y 7.96 5.20 0.00 3.06 2.82 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 75 Q 9.03 4.45 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.04 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 76 V 8.18 4.34 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 0.87 0.00 0.00 0.88 0.00 0.00 77 N 8.75 5.07 0.00 2.84 2.90 0.00 0.00 7.93 7.62 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 78 N 8.44 4.72 0.00 2.90 2.95 0.00 0.00 7.05 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 79 K 8.74 4.03 0.00 1.61 1.60 0.00 1.32 0.00 0.00 1.29 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.64 7.81 80 H 8.72 4.94 0.00 2.61 3.14 0.00 5.62 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 81 D 8.14 4.91 0.00 2.70 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 82 D 7.96 4.65 0.00 2.67 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 83 K 7.77 4.16 0.00 1.61 1.26 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.41 7.81 84 Y 7.94 4.95 0.00 2.98 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 85 S 8.18 5.36 0.00 3.91 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 86 P 0.00 4.44 0.00 2.19 2.23 0.00 3.88 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 2.02 2.08 0.00 87 L 7.07 4.75 0.00 1.69 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.51 0.00 2.25 2.17 0.00 3.70 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 2.06 2.04 0.00 89 C 8.65 3.97 0.00 2.98 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.08 4.10 0.00 3.85 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 91 K 7.96 4.01 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.46 7.81 92 I 7.73 3.62 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.93 0.00 0.00 93 I 7.90 3.71 1.98 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 1.55 0.77 0.91 0.00 0.00 94 Q 8.43 3.97 0.00 2.27 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 95 R 8.16 3.83 0.00 1.93 1.98 0.00 3.51 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 96 A 8.03 4.22 1.44 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 97 E 8.26 4.11 0.00 1.94 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 2.35 2.47 0.00 98 E 8.04 4.10 0.00 2.04 2.29 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 2.34 2.36 0.00 99 L 7.74 4.54 0.00 2.06 1.92 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.32 3.86 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 0.88 0.00 0.00 1.13 0.00 0.00 101 G 9.11 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 0.00 102 Q 7.44 4.41 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 103 E 8.50 4.93 0.00 1.79 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 2.18 2.28 0.00 104 V 8.49 4.27 0.75 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 0.52 0.00 0.00 0.37 0.00 0.00 105 L 7.97 4.75 0.00 1.60 1.65 0.87 0.71 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 0.00 106 Y 6.77 5.18 0.00 2.93 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 0.00 107 K 9.07 4.28 0.00 1.96 1.83 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.56 7.81 108 L 8.25 4.55 0.00 1.90 1.77 0.87 0.68 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 0.00 109 T 7.57 4.24 4.33 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 1.26 0.00 0.00 110 S 9.03 4.43 0.00 4.27 4.12 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 0.00 111 E 8.23 3.93 0.00 2.05 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 2.40 2.44 0.00 112 N 8.04 4.18 0.00 2.82 2.75 0.00 0.00 7.53 8.64 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 0.00 113 C 8.54 4.38 0.00 3.32 3.25 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 0.00 114 E 8.34 3.31 0.00 1.16 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 0.00 1.89 1.47 0.00 115 H 8.26 3.98 0.00 3.29 3.43 0.00 5.84 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 0.00 116 F 8.22 4.18 0.00 3.24 3.42 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 0.00 117 V 8.26 3.49 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.10 0.00 0.00 118 N 8.38 4.51 0.00 2.80 3.04 0.00 0.00 6.59 7.37 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 0.00 119 E 7.90 3.80 0.00 2.05 1.77 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 2.35 2.34 0.00 120 L 7.15 3.85 0.00 1.61 1.54 0.72 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.65 3.81 0.00 1.46 1.33 0.00 2.87 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 122 Y 8.09 4.65 0.00 2.89 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 0.00 123 G 8.90 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 0.00 0.00 0.00 0.00 124 V 7.22 4.35 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 0.59 0.00 0.00 0.86 0.00 0.00 125 A 8.64 4.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00