NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 M 4.6685 8.3049 120.6121 55.4087 33.4341 174.4286 24 K 4.6852 9.1025 124.7549 52.8054 36.5204 174.3902 25 T 4.5082 8.5583 113.1479 61.2706 70.5700 175.4302 26 V 3.6108 8.7066 122.9198 66.0900 31.4397 178.4341 27 K 3.9000 8.0388 118.9163 59.6882 32.1962 178.0048 28 H 4.1266 8.4961 118.6264 59.3720 29.8351 177.0873 29 L 3.9535 7.9653 120.7214 57.8928 41.3701 179.4098 30 L 3.9562 8.2646 120.3809 57.9351 41.7413 178.8675 31 Q 3.9589 8.0023 117.5540 58.9856 28.7106 178.4794 32 E 4.0646 7.7462 118.1640 59.3179 29.6107 179.0725 33 K 4.0859 7.8847 118.5192 57.2146 32.5546 178.0832 34 G 4.0683 8.4277 103.7954 46.1754 0.0000 172.3079 35 H 4.7816 8.3475 114.4561 55.5621 29.0059 175.7602 36 T 3.9459 7.8563 116.5892 63.7382 68.7139 173.8966 37 V 4.2452 8.2092 124.5616 60.9664 34.0886 174.3757 38 V 4.3627 8.3880 126.9862 61.2985 33.1646 174.2358 39 A 5.2617 8.5191 128.4025 50.3708 22.5991 174.2246 40 I 4.5357 8.7255 118.0960 59.6907 42.1262 174.3141 41 G 4.2579 8.6140 113.7671 44.7425 0.0000 173.1669 42 P 4.4316 0.0000 0.0000 65.1672 31.5418 177.5843 43 D 4.5867 7.8864 116.2912 54.4978 41.5613 175.9444 44 D 4.6016 7.7495 119.6520 53.5587 42.1952 175.2359 45 S 4.8882 8.3252 117.5851 57.8138 65.3395 175.2562 46 V 3.6316 8.7794 124.1387 66.1685 31.2853 178.1706 47 F 4.0295 8.3830 119.8351 61.6276 39.2568 176.6746 48 N 4.2765 8.5385 115.6274 56.1546 38.2404 177.2342 49 A 3.9315 8.0715 122.0352 55.6218 18.5285 179.7230 50 M 3.7693 8.0591 117.3256 58.3281 31.8477 179.0110 51 Q 3.7426 7.7003 118.3422 58.6817 28.8668 178.8444 52 K 3.8724 7.9930 120.5732 59.7118 32.2760 178.7664 53 M 3.9816 8.1650 118.9346 58.2498 31.7042 178.6154 54 A 3.9038 8.0541 120.6578 55.1813 18.3650 179.6095 55 A 3.9141 7.9306 118.0722 54.7814 18.5501 178.6616 56 D 4.5151 7.8525 114.3959 53.2391 42.2758 175.9431 57 N 4.1489 7.7322 116.5452 54.4147 36.3036 172.7147 58 I 4.7146 7.9012 109.4074 59.3299 41.4222 175.4342 59 G 4.2492 8.5309 104.2082 45.8822 0.0000 172.2164 60 A 5.2596 7.6971 120.1759 50.3350 22.6014 175.7388 61 L 4.9113 8.9728 119.2186 52.7232 45.8439 176.1914 62 L 4.3606 8.6120 123.5839 54.6040 43.2780 176.1071 63 V 5.2144 8.7469 124.0729 61.0930 32.9615 174.2067 64 M 5.2462 8.7856 129.7302 54.0479 35.2382 176.8793 65 K 4.4523 8.6486 123.4242 53.3310 34.4935 177.0616 66 D 4.2441 8.1750 128.3536 55.1338 39.8978 177.1353 67 E 4.1595 8.9042 128.1362 58.1850 29.9368 176.1002 68 K 3.9837 7.9865 122.2105 55.5721 32.6510 175.6035 69 L 4.5573 8.3166 128.6651 54.6418 41.4008 176.0599 70 V 4.0063 8.4643 120.7187 62.6372 33.2371 176.0335 71 G 4.0607 7.3180 105.9202 45.9041 0.0000 171.7631 72 I 5.0611 8.4350 119.5878 59.0353 41.5663 173.6174 73 L 5.1743 8.8983 131.8726 53.7978 43.8310 175.2135 74 T 5.0638 8.8240 115.6508 59.2811 72.1258 174.7358 75 E 4.0473 9.0016 122.1369 59.9056 29.3718 180.0041 76 R 4.0542 7.9069 119.3997 58.8101 30.2593 177.8658 77 D 4.4080 8.2690 118.8459 57.5550 41.0068 178.8006 78 F 4.1523 8.4002 121.0457 61.3884 39.2833 177.3623 79 S 4.2328 8.6945 114.2409 61.1964 62.5808 176.2381 80 R 4.2060 8.1094 120.4131 57.2717 30.3192 177.8444 81 K 4.2603 7.8039 117.4328 57.0831 33.4518 178.6866 82 S 4.0049 7.6036 114.6181 61.5058 62.7053 176.0602 83 Y 4.2133 7.5380 118.6228 58.5772 38.2526 176.3781 84 L 3.9655 6.5341 119.4710 56.2387 42.0165 177.4375 85 L 4.1179 7.0494 117.8591 54.6654 42.5146 176.5927 86 D 4.7078 8.1417 121.0645 52.2589 40.5185 175.9578 87 K 4.3360 7.0283 115.4573 55.5348 35.2468 173.5017 88 P 4.5886 0.0000 0.0000 62.3144 32.4915 177.7323 89 V 3.7841 8.4559 112.3990 64.6435 31.5996 178.9217 90 K 4.2015 8.0996 117.3019 58.5458 32.0182 177.1516 91 D 4.7461 7.9006 117.1684 54.2452 41.4328 176.0719 92 T 4.7325 7.6745 117.7050 61.9314 70.2889 174.0222 93 Q 4.8700 9.2017 125.4333 54.5492 30.4737 176.8857 94 V 3.6200 8.8636 122.4177 66.0912 31.5535 178.6683 95 K 4.0617 8.1553 117.5314 59.6564 32.4330 178.0115 96 E 4.1307 8.3208 119.3891 58.3261 29.3816 177.4504 97 I 4.4798 7.4954 108.4789 60.1154 39.0152 175.5179 98 M 4.2121 7.8295 118.9268 55.4790 31.7113 176.0995 99 T 4.2266 8.8803 118.0292 63.2400 68.7857 176.3190 100 R 4.1024 8.5484 125.8232 57.4892 30.5622 176.5017 101 Q 4.1740 7.8910 118.6207 54.5960 27.8342 174.0606 102 V 4.1894 7.9673 124.1562 60.3586 32.2232 175.1809 103 A 4.3232 8.4570 130.0255 52.3291 18.8509 175.6900 104 Y 5.0541 7.9590 118.2637 55.8043 41.6815 174.1441 105 V 4.8104 8.9197 112.9080 59.8896 36.0138 174.4277 106 D 5.4576 9.2356 120.2988 51.1924 42.7700 175.8556 107 L 4.3029 8.7648 116.9171 56.3803 41.6805 177.3067 108 N 4.6443 8.5665 115.9606 53.5891 39.0537 174.8161 109 N 5.0057 8.0079 117.2428 52.3063 40.5183 173.7156 110 T 5.1579 8.3324 109.9669 59.3096 72.8391 174.6505 111 N 4.3220 8.8943 119.9505 56.1265 37.0579 176.6289 112 E 4.0548 8.0624 120.1809 59.2266 30.0678 177.9525 113 D 4.5121 7.9918 118.7382 57.5949 40.8028 178.6654 114 C 4.0270 8.1501 119.4846 63.4846 28.2196 174.5848 *115 M 4.2952 7.8255 119.6907 54.2687 33.1796 177.0725 116 A 4.3029 8.1782 122.0123 52.2344 20.9170 178.9716 117 L 3.9578 8.1719 117.2211 58.2382 41.9627 179.0437 118 I 3.9669 7.8946 121.4059 64.1394 36.8390 178.6219 119 T 3.8718 7.6201 114.9723 66.7573 68.4329 176.0402 120 E 4.0933 8.4085 119.3968 59.4952 29.5521 178.0436 121 M 4.2323 8.2392 115.5330 54.8110 32.6685 176.0506 122 R 3.8996 7.5045 117.0142 57.6337 28.3552 176.5201 123 V 4.4749 7.4812 109.2935 59.8370 34.4993 176.9966 124 R 4.3697 8.4803 121.4496 57.0939 31.3962 175.5522 125 H 5.3422 8.0991 115.4049 53.7778 32.5025 173.2159 126 L 4.7381 9.2935 121.7964 52.1556 44.8551 174.3562 127 P 4.7258 0.0000 0.0000 62.8918 32.9500 175.5327 128 V 4.8624 8.6160 123.2974 61.3343 33.4571 174.4877 129 L 5.2166 8.9170 127.7948 53.1082 45.1086 175.0726 130 D 4.7062 8.9459 123.5287 53.7869 44.5972 175.8500 131 D 4.2724 10.0290 125.6609 54.3300 37.1929 171.0877 132 G 3.9898 8.5015 106.2054 45.7990 0.0000 173.7615 133 K 4.4844 7.6020 119.3392 53.8729 34.5897 175.7486 134 V 4.0128 8.3331 123.5317 62.9459 31.6095 175.4949 135 I 4.3793 8.4190 120.3430 60.0909 39.0535 175.3716 136 G 3.9122 7.2588 107.6787 46.1147 0.0000 171.0117 137 L 4.9675 8.3360 119.8960 53.7451 45.2950 175.6885 138 L 5.1291 9.1644 126.2290 52.9777 44.8907 175.7463 139 S 5.0360 9.2818 117.4939 56.0168 66.3912 174.8216 140 I 3.7188 8.7385 120.3659 64.4621 37.4190 177.9203 141 G 3.6893 7.5834 106.6970 48.0142 0.0000 175.3487 142 D 4.3607 7.9694 120.8037 57.1734 40.8122 178.9083 143 L 4.0076 7.8066 119.0837 57.6720 41.5852 179.5596 144 V 3.5764 7.9325 118.3081 65.7328 31.2568 177.9659 145 K 3.9048 8.0319 118.5584 59.6083 32.4798 177.8390 146 D 4.4458 8.3033 118.0780 57.4011 40.8909 178.1555 147 A 4.1140 7.8971 120.5670 54.1296 18.3714 178.5637 148 I 4.2833 7.1342 109.5630 60.8030 38.0771 175.9895 149 S 4.3088 7.7187 120.6245 58.9273 63.1016 173.8613 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 23 M 8.30 4.67 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 24 K 9.10 4.69 0.00 1.72 1.67 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.43 7.81 25 T 8.56 4.51 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 1.22 0.00 0.00 26 V 8.71 3.61 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 1.08 0.00 0.00 0.94 0.00 0.00 27 K 8.04 3.90 0.00 1.88 1.82 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.54 7.81 28 H 8.50 4.13 0.00 3.28 3.49 0.00 5.85 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 29 L 7.97 3.95 0.00 1.93 1.70 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.26 3.96 0.00 1.86 1.57 0.85 0.96 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 31 Q 8.00 3.96 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 32 E 7.75 4.06 0.00 2.11 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 2.25 2.30 0.00 33 K 7.88 4.09 0.00 1.72 1.95 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 34 G 8.43 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 35 H 8.35 4.78 0.00 3.09 3.43 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.86 3.95 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 1.21 0.00 0.00 37 V 8.21 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 38 V 8.39 4.36 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 0.96 0.00 0.00 0.92 0.00 0.00 39 A 8.52 5.26 1.22 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 0.00 0.00 40 I 8.73 4.54 1.85 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 1.16 1.26 0.90 0.00 0.00 41 G 8.61 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 0.00 0.00 0.00 0.00 42 P 0.00 4.43 0.00 2.24 2.33 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 43 D 7.89 4.59 0.00 2.69 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 44 D 7.75 4.60 0.00 2.77 2.55 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 45 S 8.33 4.89 0.00 4.19 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 46 V 8.78 3.63 2.39 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 1.33 0.00 0.00 1.05 0.00 0.00 47 F 8.38 4.03 0.00 3.23 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 48 N 8.54 4.28 0.00 3.00 2.87 0.00 0.00 6.99 6.70 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 49 A 8.07 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.06 3.77 0.00 1.56 1.73 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.57 0.00 51 Q 7.70 3.74 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 52 K 7.99 3.87 0.00 1.89 1.89 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 53 M 8.16 3.98 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 54 A 8.05 3.90 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 55 A 7.93 3.91 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 56 D 7.85 4.52 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.73 4.15 0.00 2.78 2.86 0.00 0.00 6.70 7.31 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 58 I 7.90 4.71 1.85 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 1.20 0.62 0.90 0.00 0.00 59 G 8.53 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 0.00 0.00 0.00 0.00 60 A 7.70 5.26 0.80 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 61 L 8.97 4.91 0.00 1.48 1.49 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.61 4.36 0.00 1.57 1.56 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.75 5.21 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 0.99 0.00 0.00 0.98 0.00 0.00 64 M 8.79 5.25 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 65 K 8.65 4.45 0.00 1.64 1.68 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.23 7.81 66 D 8.18 4.24 0.00 2.78 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 0.00 0.00 0.00 0.00 67 E 8.90 4.16 0.00 1.94 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 2.28 2.27 0.00 68 K 7.99 3.98 0.00 1.84 1.82 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 69 L 8.32 4.56 0.00 1.54 1.53 0.96 0.95 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 70 V 8.46 4.01 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 0.80 0.00 0.00 0.99 0.00 0.00 71 G 7.32 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.44 5.06 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.82 0.94 0.00 0.00 73 L 8.90 5.17 0.00 1.81 1.50 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.82 5.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 75 E 9.00 4.05 0.00 2.09 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 2.33 2.53 0.00 76 R 7.91 4.05 0.00 1.92 1.97 0.00 3.27 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 77 D 8.27 4.41 0.00 3.03 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 78 F 8.40 4.15 0.00 3.17 3.27 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 79 S 8.69 4.23 0.00 4.15 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.11 4.21 0.00 1.85 2.01 0.00 3.30 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 81 K 7.80 4.26 0.00 1.82 1.70 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.41 7.81 82 S 7.60 4.00 0.00 3.80 3.66 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 Y 7.54 4.21 0.00 3.07 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 84 L 6.53 3.97 0.00 1.43 1.54 0.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.05 4.12 0.00 1.75 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.14 4.71 0.00 2.59 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 87 K 7.03 4.34 0.00 1.85 1.71 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.26 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.33 7.81 88 P 0.00 4.59 0.00 2.26 2.24 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 89 V 8.46 3.78 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 1.04 0.00 0.00 1.15 0.00 0.00 90 K 8.10 4.20 0.00 1.66 1.77 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.15 1.21 7.81 91 D 7.90 4.75 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.67 4.73 4.42 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 1.25 0.00 0.00 93 Q 9.20 4.87 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 94 V 8.86 3.62 2.36 0.00 0.00 0.00 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 0.99 0.00 0.00 95 K 8.16 4.06 0.00 1.90 2.01 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.43 7.81 96 E 8.32 4.13 0.00 2.09 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 2.35 2.36 0.00 97 I 7.50 4.48 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.91 0.00 0.00 98 M 7.83 4.21 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 99 T 8.88 4.23 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 1.26 0.00 0.00 100 R 8.55 4.10 0.00 1.81 2.00 0.00 3.25 0.00 0.00 3.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 101 Q 7.89 4.17 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 102 V 7.97 4.19 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 0.94 0.00 0.00 1.02 0.00 0.00 103 A 8.46 4.32 1.22 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 0.00 0.00 104 Y 7.96 5.05 0.00 3.10 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 0.00 105 V 8.92 4.81 2.20 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 0.79 0.00 0.00 0.98 0.00 0.00 106 D 9.24 5.46 0.00 2.86 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 0.00 107 L 8.76 4.30 0.00 1.68 1.77 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.57 4.64 0.00 2.87 2.86 0.00 0.00 6.88 8.31 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 0.00 109 N 8.01 5.01 0.00 3.03 2.74 0.00 0.00 6.45 6.41 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 0.00 110 T 8.33 5.16 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 1.21 0.00 0.00 111 N 8.89 4.32 0.00 2.87 3.02 0.00 0.00 6.91 7.26 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 0.00 112 E 8.06 4.05 0.00 1.98 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 2.29 2.40 0.00 113 D 7.99 4.51 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 8.15 4.03 0.00 3.16 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 *115 M 7.83 4.30 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 116 A 8.18 4.30 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 0.00 117 L 8.17 3.96 0.00 1.85 1.85 0.89 0.97 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 0.00 118 I 7.89 3.97 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 1.69 2.07 0.94 0.00 0.00 119 T 7.62 3.87 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 1.21 0.00 0.00 120 E 8.41 4.09 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 121 M 8.24 4.23 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 122 R 7.50 3.90 0.00 1.90 2.00 0.00 3.11 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 123 V 7.48 4.47 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 0.94 0.00 0.00 124 R 8.48 4.37 0.00 1.65 1.79 0.00 3.08 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 125 H 8.10 5.34 0.00 2.98 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.29 4.74 0.00 1.53 1.60 0.93 1.10 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 0.00 127 P 0.00 4.73 0.00 2.10 1.96 0.00 3.86 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 2.17 2.12 0.00 128 V 8.62 4.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 129 L 8.92 5.22 0.00 1.47 1.38 0.45 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.95 4.71 0.00 2.73 2.45 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 0.00 0.00 0.00 131 D 10.03 4.27 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.50 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.60 4.48 0.00 1.78 1.65 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.30 7.81 134 V 8.33 4.01 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 0.77 0.00 0.00 0.82 0.00 0.00 135 I 8.42 4.38 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.96 0.00 0.00 136 G 7.26 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 0.00 0.00 0.00 137 L 8.34 4.97 0.00 1.62 1.50 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.16 5.13 0.00 1.60 1.52 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.28 5.04 0.00 3.81 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 0.00 140 I 8.74 3.72 1.83 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 1.44 1.30 0.87 0.00 0.00 141 G 7.58 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.97 4.36 0.00 2.90 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 0.00 143 L 7.81 4.01 0.00 1.81 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.93 3.58 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 0.99 0.00 0.00 0.98 0.00 0.00 145 K 8.03 3.90 0.00 1.83 2.00 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 146 D 8.30 4.45 0.00 2.84 2.81 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 0.00 147 A 7.90 4.11 1.39 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 0.00 148 I 7.13 4.28 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 1.86 0.71 0.91 0.00 0.00 149 S 7.72 4.31 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.