NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1545 8.2649 123.5781 51.8102 20.2230 176.5183 *2 K 4.0498 7.9023 117.4766 58.6998 33.4991 174.9698 3 N 4.3556 8.5695 114.4737 52.8321 36.2868 173.9869 4 R 5.2651 7.8477 114.8564 54.8483 33.6408 173.9343 5 A 5.1094 9.1828 126.8878 50.0101 23.2180 174.5044 6 L 4.1429 8.1651 122.8060 53.8856 43.5676 175.2685 7 L 4.7748 8.8868 129.6008 53.4543 44.0696 174.9940 8 L 5.0356 8.6884 128.4111 53.2306 43.8003 175.9353 9 I 4.3020 8.4280 126.7434 59.7796 38.7985 176.1377 10 D 4.6702 8.4664 128.4438 55.6278 39.0056 175.5556 11 F 4.8638 7.8781 117.0896 56.3810 37.7825 174.7331 12 Q 4.4870 7.0187 121.1498 53.1631 32.2088 176.9905 13 K 3.6215 8.2403 122.0381 59.8690 32.1554 178.5128 14 G 3.9605 8.1606 104.1782 46.0632 0.0000 174.6700 15 I 3.7172 7.4158 122.3092 63.6411 37.1934 175.4592 16 E 4.2798 8.3979 120.4698 55.9147 28.5551 174.3200 17 S 4.8633 7.8770 118.0153 57.3025 65.7348 174.7545 18 P 4.2753 0.0000 0.0000 64.1954 31.4863 176.5098 19 T 3.8548 8.8264 113.1763 61.5877 68.6925 172.1299 20 Q 4.5590 7.5131 121.1115 53.5921 28.2294 172.5286 21 Q 5.0256 7.9237 118.1457 53.5029 30.9749 175.8139 22 L 4.3171 8.8585 123.9893 54.3319 42.1924 176.3520 23 Y 4.1484 8.5908 125.1450 59.0718 39.1631 175.9800 24 R 3.6084 8.4506 126.6478 56.7160 28.1880 178.4465 25 L 3.9394 8.0405 119.8712 57.9224 42.0433 175.7923 26 P 4.0786 0.0000 0.0000 65.6095 31.2984 178.3805 27 A 3.9181 7.8725 118.9630 55.0164 18.1907 179.7146 28 V 3.5333 7.5531 116.3155 66.2777 31.6958 178.3954 29 L 3.6942 8.0142 118.7944 57.4424 41.2190 179.2127 30 D 4.2852 8.2160 119.2440 57.3233 40.9382 178.7595 31 K 3.9423 7.9809 120.0864 59.3140 32.1508 178.9317 32 V 3.5398 7.9401 118.7551 66.1951 31.4692 177.7521 33 N 4.4416 8.1553 116.0028 56.3282 38.2550 177.4787 34 Q 4.0134 7.8496 119.6987 59.0166 28.7936 178.9901 35 R 4.0228 7.8488 118.7074 59.2268 30.0928 178.7972 36 I 3.6617 8.3203 119.8471 64.5956 37.1706 177.9874 37 A 4.0014 8.0632 121.0945 55.2596 18.2280 179.6440 38 V 3.5543 7.8339 116.5784 66.5910 31.5581 177.8027 39 Y 3.7744 8.4075 116.3057 61.1203 37.6156 178.9739 40 R 3.9768 8.3556 119.0481 59.2889 29.9457 178.9061 41 Q 3.9328 7.8492 116.8490 59.1627 28.7915 178.0111 42 H 4.5744 7.8811 113.7406 54.7121 29.3095 174.8201 43 H 4.0231 8.0285 116.9712 56.9320 26.8191 174.3042 44 A 4.9121 8.1722 119.5225 49.3829 21.2416 176.4582 45 P 4.5840 0.0000 0.0000 63.1974 32.9265 175.2836 46 I 4.7223 8.5109 123.5124 59.4565 40.6712 174.3837 47 I 4.8555 8.5848 127.2821 59.5422 40.6325 174.2438 48 F 4.9912 8.9654 126.7128 55.9501 41.0496 175.0891 49 V 4.6396 8.8110 124.4825 61.8066 33.4693 174.5390 50 Q 4.9468 9.2323 126.3793 54.3203 31.8666 174.4214 51 H 5.2504 9.5647 125.0692 55.8389 30.9627 174.1559 52 E 5.3247 8.3936 121.0515 55.0882 32.8951 174.1544 53 E 4.7210 8.7722 118.3621 55.7564 32.7274 176.4838 54 T 3.8682 8.6154 109.1006 64.6134 68.6200 174.8035 55 E 4.4355 8.0822 118.5843 56.2745 30.3805 176.5950 56 L 4.7751 8.1162 121.6709 52.9322 42.6882 173.3033 57 P 4.6510 0.0000 0.0000 61.6037 32.5280 176.1861 58 F 3.2478 8.5124 124.2563 59.4443 39.4789 175.6947 59 G 2.6058 5.3800 115.1583 44.8327 0.0000 173.5872 60 S 4.3592 7.3483 114.7750 57.4225 63.8453 175.0117 61 D 4.7990 8.9625 120.5412 56.9851 40.8552 179.4553 62 S 4.1729 7.6964 112.5466 60.5191 63.2275 175.8765 63 W 4.2484 7.9301 129.9300 59.0792 30.8813 176.4099 64 Q 3.8659 7.7601 117.5494 55.4974 29.2137 176.1568 65 L 4.1043 8.0022 122.3835 54.7348 42.8006 177.0786 66 F 4.2486 8.5966 120.9508 58.3282 39.3410 176.7301 67 E 3.9956 9.1954 122.5636 59.2772 29.5768 178.4617 68 K 4.0325 8.0681 118.7305 58.8568 32.4966 177.0708 69 L 4.1443 7.5482 118.2523 54.7439 41.9377 177.2430 70 D 4.6592 8.4961 123.5716 53.2969 39.5962 175.9593 71 T 4.8631 7.8612 113.1170 60.0264 71.3826 174.5856 72 Q 4.6951 9.1508 120.4646 53.4568 32.8006 174.9671 73 P 4.3815 0.0000 0.0000 65.7818 31.5319 178.0958 74 T 3.9001 7.8027 111.4775 64.2919 67.5427 173.9097 75 D 4.3641 7.6103 120.5164 54.4684 41.7693 175.6779 76 F 4.9656 8.5078 118.2800 56.1943 41.6844 175.3131 77 F 5.4209 8.8581 118.8513 55.9806 42.7772 174.1291 78 I 4.6737 8.9871 123.9573 59.5800 40.0518 174.8720 79 R 5.2042 8.8240 126.1573 55.3892 31.3607 175.8310 80 K 4.9708 9.2095 121.6940 55.5972 36.2334 176.7383 81 T 4.6573 8.8095 108.1740 61.1734 70.2756 172.8919 82 H 4.9968 8.0654 119.9490 53.6660 33.6194 172.4706 83 A 3.9875 8.0884 125.2925 55.1828 18.4218 177.3507 84 N 4.6938 8.4427 115.0662 53.2709 38.9056 175.2790 85 A 4.1841 8.6243 129.4180 53.9264 18.6672 177.7401 86 F 4.3656 8.7146 114.3550 58.1662 39.7348 175.0067 87 Y 4.4216 8.0753 122.2169 57.8267 38.0371 174.5595 88 Q 3.3873 8.5101 126.8824 57.1730 26.0782 173.1808 89 T 4.6698 7.4933 107.2317 59.8931 71.7139 173.5341 90 N 4.8586 8.3470 115.8199 52.8462 37.6042 176.2117 91 L 3.7479 7.6589 123.9643 58.9903 41.9335 178.3177 92 N 4.5194 8.3657 116.0438 57.1695 38.8367 176.2192 93 D 4.3763 8.1789 119.5311 57.3095 40.9077 178.5395 94 L 3.8339 8.1761 120.9258 58.0299 42.0534 178.9185 95 L 3.9231 8.0873 119.1734 58.0938 41.5955 179.6307 96 T 3.8830 8.2524 115.8348 66.7673 68.2306 176.2419 97 E 3.9775 8.2397 120.0048 59.1233 29.7113 177.9256 98 Q 4.2268 8.3122 115.1786 54.6263 29.0489 175.3332 99 A 3.7194 7.6930 122.2634 53.0016 16.7679 177.4102 100 V 4.4614 7.9590 119.8948 62.9870 32.7886 174.8724 101 Q 4.7126 9.1208 127.8067 56.4753 31.9440 174.9382 102 T 5.2405 7.9894 115.4736 61.5339 71.7453 173.1738 103 L 5.0743 9.0614 126.2411 52.8669 45.0729 174.8781 104 E 4.8967 9.1243 125.6148 54.6817 31.3257 174.4636 105 I 4.9792 8.4781 127.7544 59.5532 39.9123 174.8647 106 A 4.6594 9.2888 126.6107 50.3141 23.4044 176.8531 107 G 2.6192 7.0485 104.9348 45.0813 0.0000 172.5234 108 V 4.8649 7.0552 112.9212 59.7505 36.0519 174.9196 109 Q 4.7207 8.4576 120.6658 55.1056 30.3387 176.9485 110 T 4.1078 8.5233 119.7637 67.0269 68.5472 175.8773 111 E 3.9067 7.8059 116.0011 56.8572 31.6561 176.7003 112 F 4.5255 8.0635 118.3909 58.7928 38.9714 177.7242 113 C 4.6679 9.1578 126.6289 62.7651 28.8009 175.1944 114 V 3.3661 7.6644 119.3831 65.9163 31.3241 177.1228 115 D 4.2157 8.1853 117.7465 57.8827 40.8334 178.5308 116 T 3.8241 7.7069 114.3522 67.1333 68.5641 176.5492 117 T 4.1700 7.6482 116.2659 66.3793 68.5968 176.7554 118 I 3.7076 7.5590 121.8772 64.2275 37.0487 179.6879 119 R 3.5191 7.4802 116.6584 56.2576 29.8126 178.6023 *121 A 4.0735 7.9653 123.5555 52.5604 20.8172 179.4126 122 H 4.3239 8.6549 115.8758 59.4046 29.9921 177.6917 123 G 3.7295 7.9915 106.5169 47.7566 0.0000 174.2597 124 L 4.0103 7.6372 117.9905 55.1985 42.0398 177.4254 125 G 3.9079 7.8039 107.1765 44.9728 0.0000 173.4079 126 Y 4.3876 7.3758 116.8565 57.9294 38.9243 175.4014 127 T 4.4254 9.0938 120.4303 63.1780 70.1597 173.6124 128 C 5.3156 8.7651 123.5337 58.3435 31.6358 173.2520 129 L 5.2883 8.6468 120.7993 52.6660 46.0254 174.9182 *131 T 4.3883 8.4003 114.8634 63.2769 69.4820 172.3614 132 P 4.5792 0.0000 0.0000 64.0290 32.0247 175.9216 133 K 3.9865 8.8547 118.7391 58.6490 29.2751 176.1263 134 T 4.9214 8.1578 104.9448 61.4572 70.5252 173.3704 135 T 5.7745 8.1193 110.8006 60.1057 72.0071 172.6521 136 S 4.8014 8.3563 115.2818 58.3324 66.6625 172.1883 137 T 4.6847 8.2610 115.9153 61.9741 70.4882 171.6282 138 L 5.0384 8.3666 121.3266 52.5541 44.0172 176.4156 139 D 4.6296 8.5776 121.0219 54.9929 41.1969 176.2572 140 N 4.8940 9.1733 119.5096 52.4302 37.6582 175.5020 141 G 4.0189 8.5994 108.3946 45.7922 0.0000 174.2369 142 H 4.7700 8.0258 114.0316 56.1540 31.4162 174.0768 143 L 4.9222 7.4984 117.4922 52.2611 45.3087 176.2199 144 T 4.5064 8.6646 112.7819 60.8864 71.0396 175.8428 145 A 3.8374 9.2903 123.8856 55.3321 18.2407 180.0146 146 A 3.6245 7.2234 118.5275 55.2381 18.3655 179.6687 147 Q 3.8523 7.7444 116.0038 59.1217 28.7567 179.1390 148 I 3.6582 7.5897 120.6960 64.4107 37.1507 178.5598 149 I 3.5909 7.8095 120.6408 64.3880 37.0855 178.2415 150 Q 3.8511 8.1654 120.5189 59.3052 28.8273 177.8280 151 H 4.0174 8.3234 119.3634 59.6864 29.9727 177.0700 152 H 3.5956 8.0357 117.9148 58.5557 28.4949 177.6183 153 E 3.5974 7.5622 120.0572 59.2096 28.9941 179.3454 154 A 3.9853 7.4339 119.6507 54.9996 18.4595 179.4488 155 I 3.8051 7.0613 117.0598 64.4833 37.4668 178.4427 156 W 4.9877 8.2826 119.5651 58.5409 28.7188 176.6382 157 A 4.4457 7.8377 122.3835 53.8136 18.2590 175.9314 158 G 4.3851 9.1285 114.6101 45.8581 0.0000 174.8975 159 R 3.8468 7.8114 118.1767 58.0665 30.3280 176.8011 160 F 4.7480 8.1082 114.1602 57.7266 41.3183 174.6807 161 L 4.8220 7.6053 118.7978 55.1221 44.1961 174.2700 162 T 5.0193 8.4284 115.4751 61.4856 71.1113 174.2678 163 F 4.2153 9.0199 125.3758 57.0091 39.7082 175.4983 164 L 4.1062 8.8392 125.9024 55.6146 42.2154 178.0550 165 S 4.4000 8.6353 117.6210 58.4670 62.3167 172.6959 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 0 A 8.26 4.15 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 *2 K 7.90 4.05 0.00 1.79 1.81 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 3 N 8.57 4.36 0.00 2.96 2.95 0.00 0.00 6.99 7.66 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 4 R 7.85 5.27 0.00 1.90 1.76 0.00 3.23 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 5 A 9.18 5.11 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 6 L 8.17 4.14 0.00 0.27 0.71 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.89 4.77 0.00 1.53 1.34 0.75 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.69 5.04 0.00 1.32 1.83 0.33 0.53 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 9 I 8.43 4.30 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.51 0.86 0.00 0.00 10 D 8.47 4.67 0.00 2.89 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 11 F 7.88 4.86 0.00 3.26 3.22 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 0.00 12 Q 7.02 4.49 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 13 K 8.24 3.62 0.00 1.79 1.91 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.46 7.81 14 G 8.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.42 3.72 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 1.41 0.98 0.96 0.00 0.00 16 E 8.40 4.28 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 17 S 7.88 4.86 0.00 4.06 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 18 P 0.00 4.28 0.00 2.08 2.05 0.00 3.76 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 2.05 2.10 0.00 19 T 8.83 3.85 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 1.23 0.00 0.00 20 Q 7.51 4.56 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 21 Q 7.92 5.03 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 22 L 8.86 4.32 0.00 1.73 1.73 1.15 0.81 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 23 Y 8.59 4.15 0.00 2.88 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 24 R 8.45 3.61 0.00 1.46 1.69 0.00 2.50 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.00 25 L 8.04 3.94 0.00 1.87 1.58 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.08 0.00 2.12 2.00 0.00 3.51 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 2.04 2.06 0.00 27 A 7.87 3.92 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 28 V 7.55 3.53 2.27 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 1.27 0.00 0.00 1.09 0.00 0.00 29 L 8.01 3.69 0.00 1.67 1.49 0.39 0.51 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 30 D 8.22 4.29 0.00 2.78 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 31 K 7.98 3.94 0.00 1.89 1.81 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 32 V 7.94 3.54 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 33 N 8.16 4.44 0.00 2.94 2.85 0.00 0.00 7.09 6.94 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 34 Q 7.85 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 35 R 7.85 4.02 0.00 2.00 2.07 0.00 3.39 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 36 I 8.32 3.66 2.03 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 1.39 0.45 1.02 0.00 0.00 37 A 8.06 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.83 3.55 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 0.93 0.00 0.00 1.03 0.00 0.00 39 Y 8.41 3.77 0.00 3.23 3.23 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 0.00 40 R 8.36 3.98 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 41 Q 7.85 3.93 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 42 H 7.88 4.57 0.00 2.98 3.26 0.00 6.00 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.03 4.02 0.00 3.25 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.17 4.91 1.23 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 0.00 0.00 0.00 45 P 0.00 4.58 0.00 2.18 2.32 0.00 3.88 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 2.17 2.25 0.00 46 I 8.51 4.72 1.78 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 1.14 0.91 0.35 0.00 0.00 47 I 8.58 4.86 1.70 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 1.26 0.73 0.83 0.00 0.00 48 F 8.97 4.99 0.00 2.88 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 49 V 8.81 4.64 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 0.93 0.00 0.00 0.81 0.00 0.00 50 Q 9.23 4.95 0.00 1.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 1.83 2.15 0.00 51 H 9.56 5.25 0.00 3.50 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.39 5.32 0.00 2.14 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 0.00 2.54 2.29 0.00 53 E 8.77 4.72 0.00 2.18 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 0.00 2.25 2.32 0.00 54 T 8.62 3.87 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 55 E 8.08 4.44 0.00 1.99 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 0.00 2.28 2.24 0.00 56 L 8.12 4.78 0.00 1.71 1.60 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.65 0.00 2.17 1.93 0.00 3.68 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 2.11 2.33 0.00 58 F 8.51 3.25 0.00 2.81 2.80 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 59 G 5.38 2.61 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 0.00 0.00 0.00 60 S 7.35 4.36 0.00 4.01 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 61 D 8.96 4.80 0.00 2.74 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 62 S 7.70 4.17 0.00 4.04 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 63 W 7.93 4.25 0.00 3.22 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 64 Q 7.76 3.87 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 65 L 8.00 4.10 0.00 1.33 1.50 0.48 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.60 4.25 0.00 2.97 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 67 E 9.20 4.00 0.00 1.98 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 0.00 2.37 2.28 0.00 68 K 8.07 4.03 0.00 1.67 1.79 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.42 7.81 69 L 7.55 4.14 0.00 1.88 1.68 1.16 0.78 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 70 D 8.50 4.66 0.00 2.70 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 71 T 7.86 4.86 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 0.60 0.00 0.00 72 Q 9.15 4.70 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 73 P 0.00 4.38 0.00 2.05 2.13 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 74 T 7.80 3.90 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 75 D 7.61 4.36 0.00 2.62 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 76 F 8.51 4.97 0.00 2.87 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 77 F 8.86 5.42 0.00 3.03 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 78 I 8.99 4.67 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.88 0.00 0.00 79 R 8.82 5.20 0.00 1.77 2.17 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 80 K 9.21 4.97 0.00 1.85 1.89 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.38 1.49 7.81 81 T 8.81 4.66 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 1.22 0.00 0.00 82 H 8.07 5.00 0.00 3.24 3.40 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.09 3.99 1.28 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 0.00 0.00 0.00 84 N 8.44 4.69 0.00 2.84 2.90 0.00 0.00 7.09 7.84 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 85 A 8.62 4.18 1.06 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 86 F 8.71 4.37 0.00 3.34 3.14 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 87 Y 8.08 4.42 0.00 2.93 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 88 Q 8.51 3.39 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 89 T 7.49 4.67 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 1.31 0.00 0.00 90 N 8.35 4.86 0.00 2.96 3.05 0.00 0.00 5.55 6.67 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 91 L 7.66 3.75 0.00 1.59 1.38 0.64 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.37 4.52 0.00 3.18 2.98 0.00 0.00 7.06 8.49 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 93 D 8.18 4.38 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 111 E 7.81 3.91 0.00 1.57 1.60 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 1.47 1.47 0.00 112 F 8.06 4.53 0.00 3.14 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 0.00 113 C 9.16 4.67 0.00 3.08 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 0.00 114 V 7.66 3.37 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 0.78 0.00 0.00 0.90 0.00 0.00 115 D 8.19 4.22 0.00 3.33 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 0.00 116 T 7.71 3.82 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 1.26 0.00 0.00 117 T 7.65 4.17 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 1.12 0.00 0.00 118 I 7.56 3.71 1.35 0.00 0.00 -0.77 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 128 C 8.77 5.32 0.00 3.10 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.65 5.29 0.00 1.48 1.54 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *131 T 8.40 4.39 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 1.29 0.00 0.00 132 P 0.00 4.58 0.00 2.10 2.01 0.00 3.94 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 2.12 2.32 0.00 133 K 8.85 3.99 0.00 1.96 1.95 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.45 7.81 134 T 8.16 4.92 4.38 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 1.35 0.00 0.00 135 T 8.12 5.77 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 136 S 8.36 4.80 0.00 4.02 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 0.00 137 T 8.26 4.68 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 1.21 0.00 0.00 138 L 8.37 5.04 0.00 1.73 1.61 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.58 4.63 0.00 2.67 2.60 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 0.00 140 N 9.17 4.89 0.00 2.85 2.91 0.00 0.00 7.12 7.13 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 0.00 141 G 8.60 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 0.00 0.00 0.00 142 H 8.03 4.77 0.00 3.11 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.50 4.92 0.00 1.68 1.46 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.66 4.51 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 1.21 0.00 0.00 145 A 9.29 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.22 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.74 3.85 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 148 I 7.59 3.66 1.93 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 1.46 0.64 0.87 0.00 0.00 149 I 7.81 3.59 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 1.00 0.00 0.00 150 Q 8.17 3.85 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 151 H 8.32 4.02 0.00 3.23 3.39 0.00 5.83 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 0.00 152 H 8.04 3.60 0.00 2.83 2.18 0.00 5.87 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 0.00 153 E 7.56 3.60 0.00 1.95 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 2.36 2.12 0.00 154 A 7.43 3.99 1.28 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 0.00 0.00 0.00 155 I 7.06 3.81 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 1.21 0.00 0.00 156 W 8.28 4.99 0.00 3.72 3.17 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 0.00 157 A 7.84 4.45 1.55 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 0.00 158 G 9.13 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.81 3.85 0.00 1.57 1.85 0.00 3.09 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 160 F 8.11 4.75 0.00 3.09 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 0.00 161 L 7.61 4.82 0.00 1.74 1.74 0.70 0.06 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 0.00 162 T 8.43 5.02 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 1.28 0.00 0.00 163 F 9.02 4.22 0.00 3.04 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 0.00 164 L 8.84 4.11 0.00 1.73 1.67 0.98 0.91 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 0.00 165 S 8.64 4.40 0.00 3.63 3.63 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 * Residues marked with a * may have inaccurate shift predictions.