NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4474 8.3193 115.4132 58.1234 64.6140 173.7093 3 M 4.0463 8.1253 118.7574 55.6937 31.9710 174.1071 4 K 4.4263 9.1376 123.3564 55.2976 34.6265 177.7377 5 T 4.0835 8.2362 119.5801 62.8920 69.0564 174.4045 6 L 4.1046 8.3992 128.7156 54.1677 42.7174 174.9010 7 P 4.4184 0.0000 0.0000 62.2966 31.9917 175.9952 8 K 4.2481 8.4111 121.3594 55.8552 32.6561 176.4917 9 E 4.5555 8.3587 124.0869 54.3807 32.5595 174.5442 10 R 3.8463 8.5735 126.6425 56.4537 30.7052 175.2290 11 R 4.5581 7.7641 121.8201 54.5443 33.7102 175.0151 12 F 4.8530 8.2584 116.0574 57.1966 41.0776 176.9019 13 E 3.6188 8.4579 120.6368 57.1106 27.3002 174.8784 14 T 3.9132 8.3410 121.9778 66.2452 68.9901 174.4943 15 F 4.4850 9.0236 123.5767 57.8810 36.9663 176.1077 16 S 4.6133 8.1900 114.0088 59.3999 63.1110 174.2713 17 Y 4.2188 8.0571 117.6484 58.1909 38.6699 175.6695 18 L 4.5138 7.7053 120.3443 52.5778 42.8627 174.8654 19 P 4.3079 0.0000 0.0000 62.2775 31.5556 174.4628 20 P 4.2285 0.0000 0.0000 62.9268 31.7692 176.0263 21 L 4.2208 8.3731 122.6584 54.3189 42.0985 177.9759 22 S 4.3520 9.0489 119.5753 58.3452 65.1061 175.2322 23 D 4.3617 8.5354 121.6107 57.2463 40.5093 179.2301 24 R 4.0005 7.8992 118.6335 59.1444 30.0525 178.7400 25 Q 3.9403 7.7576 118.1319 58.7298 28.7308 178.5405 26 I 3.6462 8.0451 121.0348 64.4164 37.0800 178.3526 27 A 4.1262 8.0670 120.9207 54.8453 18.2838 179.5558 28 A 3.9597 8.0162 119.6430 55.3638 18.5168 179.8911 29 Q 4.1021 7.9582 116.5166 59.1214 28.7987 178.8092 30 I 4.0253 8.0313 120.9295 64.1509 37.0585 178.2820 31 E 3.9829 8.6160 119.9747 59.5166 29.2567 178.4569 32 Y 4.1150 8.0052 119.2783 61.1575 38.8057 177.9023 33 M 4.0193 8.1120 118.8895 58.7870 32.3035 178.6458 34 I 3.6690 7.7223 119.3608 64.7005 37.1273 178.4282 35 E 3.8835 7.9523 117.8714 59.4662 29.3900 179.2175 36 Q 3.6512 7.5598 116.8897 56.7852 28.5520 177.4474 37 G 3.7972 7.1337 107.1810 44.8395 0.0000 173.5565 38 F 4.8759 7.1169 117.8249 57.6782 40.0746 174.6451 39 H 4.9042 8.9135 119.4006 53.9975 30.2887 173.2750 40 P 4.9959 0.0000 0.0000 62.6495 32.8467 175.2111 41 L 4.9465 8.9032 124.4786 53.6556 45.9253 174.6261 42 I 4.9290 8.5803 126.4590 60.0041 39.3183 174.4234 43 E 5.5286 9.2431 125.8148 54.5739 33.6292 174.8564 44 F 5.6982 8.8972 116.8066 55.5597 41.9391 173.0877 45 N 4.7079 8.5885 117.3979 52.0813 41.7774 175.4332 46 E 3.9111 8.7831 124.4212 58.8345 29.8702 176.4751 47 H 5.1590 7.6564 113.7584 54.0360 32.5676 173.6135 48 S 4.6158 8.1330 114.5980 56.3466 61.6588 171.1347 49 N 4.8222 7.9597 120.4515 50.4543 39.8826 174.8108 50 P 4.4036 0.0000 0.0000 65.4781 31.5698 177.5779 51 E 3.8048 7.6355 119.4202 58.6634 29.6577 176.6974 *64 E 4.0003 7.7213 115.6444 56.2564 30.6488 175.7392 65 F 4.5226 8.2973 120.8903 58.9929 39.6152 175.6814 66 Y 4.8571 7.7265 117.5265 55.9897 39.6295 175.2812 67 W 4.7684 8.8782 124.4369 55.6744 31.9643 175.2336 68 T 4.3073 8.0533 117.5572 62.4585 69.4975 174.5766 69 M 4.4463 8.4753 126.3683 55.2402 33.2229 175.2042 70 W 4.8208 9.3397 135.0000 55.9032 31.3511 176.9792 71 K 3.4199 8.5075 129.1578 57.5450 30.4941 178.2933 72 L 4.8620 8.2254 126.3439 52.5766 45.1723 173.8780 73 P 4.2342 0.0000 0.0000 62.8660 31.6091 177.7732 74 L 4.3166 8.1938 123.4503 53.8402 40.0775 176.9239 75 F 4.4097 8.2959 123.1999 60.9155 39.5193 177.2020 76 D 4.7680 7.9359 120.7145 51.5285 38.1941 174.8661 77 C 4.7248 8.2651 124.1028 58.0223 34.5247 175.1659 78 K 4.6153 8.2709 132.6723 53.0538 32.3566 175.3476 79 S 4.6133 7.5495 112.5996 55.9541 64.8701 176.5947 80 P 4.3860 0.0000 0.0000 65.2050 31.0401 178.3525 81 Q 4.0046 8.0613 117.7981 58.9404 28.9847 177.6223 82 Q 4.0160 8.0818 120.6767 59.1314 29.0767 178.6123 83 V 3.6268 7.7660 118.6246 66.1780 31.7680 177.9189 84 L 4.0833 8.0723 118.5853 57.7854 41.3179 179.3402 85 D 4.4066 8.7185 119.5436 57.3412 40.7299 178.5880 86 E 4.1497 8.1581 118.8994 59.2916 29.4055 179.5396 87 V 3.4238 7.9250 118.3812 65.8995 31.6308 178.2876 88 R 3.8160 7.9833 117.7879 59.2992 29.7970 178.7203 89 E 3.8889 8.2532 119.1363 59.2682 29.5496 178.4273 90 C 2.4500 7.7435 119.1888 61.7948 31.2184 175.5634 91 R 3.6152 7.7404 119.5198 59.0844 29.5901 178.4671 92 S 4.1194 7.3923 114.5653 61.4248 62.9397 175.7456 93 E 3.8987 7.3741 120.2677 57.6968 30.7928 176.0573 94 Y 4.9304 7.2564 116.0403 55.8563 38.8396 176.6278 95 G 3.6432 7.7516 109.5085 47.6510 0.0000 174.0214 96 D 4.6630 8.0505 118.3076 54.1725 39.7952 175.0427 97 C 4.8997 7.5360 116.4537 57.9685 32.0385 173.2953 98 Y 4.4561 8.7967 118.8991 58.1718 38.8335 175.0244 99 I 5.3858 9.2427 124.2512 59.6682 41.2256 174.5466 100 R 5.0019 9.3454 125.7992 54.6540 33.8906 173.6321 101 V 4.6802 8.2920 125.9018 61.3338 33.4257 174.3370 102 A 5.1068 8.9180 129.0267 50.0557 22.5513 174.7656 103 G 4.4316 8.5566 108.1452 44.4815 0.0000 172.2825 104 F 4.7901 8.8907 125.4816 55.9556 42.5592 173.3686 105 D 5.1170 8.1496 127.2878 53.3972 41.4935 176.4921 106 N 4.9919 9.1527 123.4850 54.2087 38.5034 176.6162 107 I 3.9431 8.0558 120.2906 64.4205 37.5742 177.3245 108 K 4.1009 8.2264 117.2748 56.2087 32.7048 176.1385 109 E 4.4105 7.8843 118.3813 56.1759 28.1609 173.4029 110 C 4.5747 6.6946 114.3160 56.9090 35.8415 173.1316 111 Q 4.1601 8.3911 126.2837 56.7587 28.4201 175.5418 112 T 4.1398 8.4500 117.6909 62.2373 70.3734 175.1700 113 V 4.5651 7.0410 120.5326 61.1912 35.6428 174.5367 114 S 4.7627 8.5335 115.4519 57.7118 64.8883 174.7433 115 F 5.1094 8.0361 121.9840 55.3772 41.5764 173.9529 116 I 4.3435 8.6961 122.3040 61.8615 37.4338 176.3011 117 V 4.4981 8.6913 118.0704 61.9204 33.2285 175.7245 118 H 4.7291 8.0163 120.6465 55.1387 33.0109 172.4095 119 R 4.3932 8.2151 124.8586 53.6410 31.7781 174.5479 120 P 4.3454 0.0000 0.0000 62.3907 32.3050 176.0418 121 G 3.4626 8.0305 108.4983 47.4392 0.0000 173.6824 122 R 4.2630 8.5419 125.3354 56.6265 31.0012 175.6300 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.45 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 3 M 8.13 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 4 K 9.14 4.43 0.00 1.77 1.78 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 1.40 1.45 7.81 5 T 8.24 4.08 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 1.22 0.00 0.00 6 L 8.40 4.10 0.00 1.60 1.60 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.41 4.25 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 E 8.36 4.56 0.00 1.84 1.70 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 2.17 2.29 0.00 10 R 8.57 3.85 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.43 0.00 11 R 7.76 4.56 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 F 8.26 4.85 0.00 3.12 3.09 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 13 E 8.46 3.62 0.00 2.18 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 2.28 2.22 0.00 14 T 8.34 3.91 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 0.30 0.00 0.00 15 F 9.02 4.48 0.00 3.32 3.11 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 16 S 8.19 4.61 0.00 4.28 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 17 Y 8.06 4.22 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.71 4.51 0.00 1.86 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.31 0.00 2.16 2.07 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 20 P 0.00 4.23 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.37 4.22 0.00 1.59 1.49 0.47 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 4.35 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.54 4.36 0.00 2.71 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 24 R 7.90 4.00 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.76 3.94 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.65 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 1.11 0.00 0.00 27 A 8.07 4.13 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 28 A 8.02 3.96 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 29 Q 7.96 4.10 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.23 1.84 0.00 30 I 8.03 4.03 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 1.00 0.00 0.00 31 E 8.62 3.98 0.00 2.31 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 2.37 2.52 0.00 32 Y 8.01 4.11 0.00 3.14 3.33 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 33 M 8.11 4.02 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 34 I 7.72 3.67 1.98 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 1.91 1.34 0.91 0.00 0.00 35 E 7.95 3.88 0.00 1.92 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 2.48 0.00 36 Q 7.56 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 G 7.13 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 38 F 7.12 4.88 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.91 4.90 0.00 3.31 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.00 0.00 2.11 2.02 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 8.90 4.95 0.00 1.65 1.44 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.58 4.93 2.14 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 1.35 0.54 0.95 0.00 0.00 43 E 9.24 5.53 0.00 2.11 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 0.00 2.29 2.26 0.00 44 F 8.90 5.70 0.00 3.05 3.08 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 45 N 8.59 4.71 0.00 1.44 1.42 0.00 0.00 7.45 7.23 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 46 E 8.78 3.91 0.00 1.70 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 0.00 2.29 2.41 0.00 47 H 7.66 5.16 0.00 2.94 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.13 4.62 0.00 2.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.96 4.82 0.00 2.81 2.92 0.00 0.00 6.74 8.03 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 50 P 0.00 4.40 0.00 2.14 2.15 0.00 3.72 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 1.94 1.94 0.00 51 E 7.64 3.80 0.00 2.08 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 2.25 2.24 0.00 *64 E 7.72 4.00 0.00 2.02 1.93 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 2.17 2.23 0.00 65 F 8.30 4.52 0.00 2.33 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 0.00 0.00 0.00 0.00 66 Y 7.73 4.86 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.88 4.77 0.00 3.13 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 68 T 8.05 4.31 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 0.99 0.00 0.00 69 M 8.48 4.45 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 70 W 9.34 4.82 0.00 3.72 3.33 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 71 K 8.51 3.42 0.00 1.64 0.74 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.83 0.21 7.81 72 L 8.23 4.86 0.00 1.56 1.54 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 74 L 8.19 4.32 0.00 1.70 1.65 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.30 4.41 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.94 4.77 0.00 2.69 2.48 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 0.00 0.00 0.00 0.00 77 C 8.27 4.72 0.00 2.98 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 78 K 8.27 4.62 0.00 1.76 1.56 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 79 S 7.55 4.61 0.00 3.58 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 80 P 0.00 4.39 0.00 2.18 2.21 0.00 3.59 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 2.15 2.21 0.00 81 Q 8.06 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 82 Q 8.08 4.02 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 83 V 7.77 3.63 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.08 0.00 1.92 1.73 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.72 4.41 0.00 2.87 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 86 E 8.16 4.15 0.00 2.25 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 0.00 2.66 2.63 0.00 87 V 7.92 3.42 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 88 R 7.98 3.82 0.00 2.07 1.92 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 89 E 8.25 3.89 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 90 C 7.74 2.45 0.00 1.23 2.38 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 91 R 7.74 3.62 0.00 1.75 1.88 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 92 S 7.39 4.12 0.00 3.98 3.82 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 93 E 7.37 3.90 0.00 1.92 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 1.81 2.11 0.00 94 Y 7.26 4.93 0.00 2.72 2.57 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 95 G 7.75 3.64 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 0.00 0.00 0.00 96 D 8.05 4.66 0.00 2.83 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 97 C 7.54 4.90 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.80 4.46 0.00 2.78 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.24 5.39 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.98 0.00 0.00 100 R 9.35 5.00 0.00 1.79 1.64 0.00 2.78 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 101 V 8.29 4.68 1.15 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 0.77 0.00 0.00 0.85 0.00 0.00 102 A 8.92 5.11 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 0.00 103 G 8.56 4.43 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 0.00 104 F 8.89 4.79 0.00 3.20 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 0.00 105 D 8.15 5.12 0.00 2.37 2.34 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 0.00 106 N 9.15 4.99 0.00 3.07 3.28 0.00 0.00 6.34 7.81 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 0.00 107 I 8.06 3.94 2.08 0.00 0.00 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 1.36 0.84 0.93 0.00 0.00 108 K 8.23 4.10 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 109 E 7.88 4.41 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 110 C 6.69 4.57 0.00 2.87 2.43 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 0.00 111 Q 8.39 4.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 112 T 8.45 4.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 113 V 7.04 4.57 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 1.37 0.00 0.00 1.17 0.00 0.00 114 S 8.53 4.76 0.00 3.75 3.58 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 0.00 115 F 8.04 5.11 0.00 3.33 3.33 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 0.00 116 I 8.70 4.34 1.98 0.00 0.00 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 1.57 0.97 1.12 0.00 0.00 117 V 8.69 4.50 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 0.86 0.00 0.00 1.02 0.00 0.00 118 H 8.02 4.73 0.00 3.14 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.22 4.39 0.00 1.47 1.44 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 120 P 0.00 4.35 0.00 1.88 1.90 0.00 2.53 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 1.60 1.36 0.00 121 G 8.03 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.26 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.