NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8411 8.3501 109.7412 45.4640 0.0000 173.1387 4 A 4.4177 8.6480 126.3880 49.9998 20.7812 174.1614 5 I 4.3578 9.1689 125.6943 60.0050 40.5331 173.1538 6 K 4.6931 8.3935 126.7792 54.3357 34.1031 176.0287 7 V 4.1237 8.8135 125.2551 62.2571 34.0826 175.7687 8 G 2.1597 7.6538 112.3456 44.7672 0.0000 173.4664 9 A 3.6911 6.8148 116.8867 52.5312 15.9355 176.5764 10 W 4.2373 9.3604 121.7211 54.2395 30.2116 177.6034 11 G 4.6095 7.8993 109.7750 44.0468 0.0000 171.7993 12 G 3.8868 7.6438 110.5623 45.6032 0.0000 173.4408 13 N 4.7780 8.5833 114.6010 52.8967 38.7758 175.7980 14 G 3.9004 7.8913 108.6376 45.2724 0.0000 174.0635 15 G 4.0053 8.3724 106.4592 44.8336 0.0000 172.5889 16 S 4.9918 8.7643 114.8825 56.3395 66.1015 174.0482 17 A 4.7768 8.6784 125.2769 52.2119 19.0038 176.7345 18 F 5.1316 8.8125 115.7856 55.3964 42.0572 174.0642 19 D 4.9065 8.8017 119.9648 53.6636 42.2729 174.4573 20 M 4.4689 8.8624 127.5683 55.8789 32.9158 177.2313 21 G 3.6641 8.5402 107.4121 43.3611 0.0000 171.2651 22 P 4.1476 0.0000 0.0000 62.1079 32.0388 175.3247 23 A 5.0837 7.8666 121.3466 50.3627 22.0041 176.0051 24 Y 4.3116 8.9753 121.5131 60.6195 39.6080 176.7436 25 R 4.6208 7.8047 117.5987 55.0342 35.1690 174.6544 26 I 4.4102 8.5294 125.0717 61.5490 37.8893 175.4079 27 I 4.3980 9.1754 127.7148 62.8855 38.9647 175.7594 28 S 5.0568 7.6880 114.0724 57.3308 66.5867 172.9276 29 V 4.7734 8.9480 120.3834 61.1227 35.0120 174.0999 30 K 4.9110 8.9274 126.4300 54.6411 35.4678 174.9124 31 I 4.8360 8.8222 126.5880 59.6719 39.6025 174.5907 32 F 5.3279 9.3828 127.0004 56.1680 40.9412 175.2658 33 S 5.2761 9.2769 117.2195 56.7425 66.8712 173.9624 34 G 4.1781 9.2547 108.6198 46.7701 0.0000 173.3885 35 D 4.5909 9.6154 125.6670 57.1072 41.7350 175.3688 36 V 4.3255 6.9811 111.3003 59.5635 34.3630 174.0236 37 V 4.5126 7.8901 121.7374 62.3283 31.7216 177.1234 38 D 4.5974 9.3293 128.7889 57.0389 41.8237 176.6129 39 G 4.0989 7.6480 102.8343 46.0991 0.0000 172.0179 40 V 5.2596 8.9922 119.2176 61.1555 35.4629 173.7845 41 D 5.3794 9.2093 125.6470 52.4901 44.5405 175.2152 42 V 4.9073 8.7127 121.7019 61.6469 34.9457 173.9962 43 T 5.1670 8.5839 124.8643 61.8718 70.7185 173.7132 44 F 5.4119 8.4137 120.4714 55.9421 42.2400 172.9695 45 T 4.9497 9.0149 110.3742 60.8275 70.9994 173.3538 46 Y 4.9044 9.1868 125.9161 55.8006 41.4613 174.5694 47 Y 3.0997 8.8872 127.6876 58.8635 35.4022 171.2460 48 G 4.0092 8.1334 106.7021 44.8631 0.0000 172.9288 49 K 4.5695 7.7138 118.3543 55.3037 35.0589 175.7810 50 T 4.8146 8.3175 117.7625 62.1948 70.4870 173.7111 51 E 4.5979 8.5862 126.0532 54.7178 33.3328 175.3311 52 T 5.1231 7.9652 116.2558 62.2145 72.3827 173.8211 53 R 4.4855 9.0726 124.7274 54.4691 34.0031 174.5802 54 H 5.5804 8.0842 118.5238 53.5457 31.0507 172.5708 55 Y 4.4646 9.0660 122.2040 57.3302 40.4920 176.6155 56 G 4.0212 8.9397 109.1438 44.2533 0.0000 172.6571 57 G 4.1139 8.2873 106.7605 45.1046 0.0000 173.3578 58 S 4.2935 8.3209 112.6424 57.8292 63.8943 174.2270 59 G 3.7519 7.6019 110.4474 44.8904 0.0000 173.5230 60 G 4.2375 8.7525 104.0802 46.6539 0.0000 172.3989 61 T 4.7705 8.2035 114.4641 60.8496 71.1929 172.7688 62 P 4.1437 0.0000 0.0000 62.6812 32.5252 175.7384 63 H 4.6677 8.5507 119.9732 54.2243 32.3046 171.8064 64 E 4.9559 8.7923 124.4688 54.3654 31.9123 174.9514 65 I 4.0827 8.9578 127.8347 59.4599 39.7535 174.6283 66 V 4.5793 8.1303 127.6717 60.8553 33.0054 175.1438 67 L 4.1694 8.5334 129.6326 54.3584 41.8897 177.7752 68 Q 4.2121 8.3772 124.5395 55.1299 29.7653 175.1623 69 E 3.8597 8.5699 118.7350 58.0798 29.5684 177.2229 70 G 3.6886 8.6145 111.5531 46.1124 0.0000 172.1307 71 E 4.6323 7.2077 119.7058 53.2977 31.2703 174.5896 72 Y 4.8970 8.1646 122.1357 55.8570 42.9558 174.4804 73 L 4.6460 8.5762 120.4691 54.3994 42.8665 177.6557 74 V 4.2746 8.9865 117.6548 60.1278 33.2924 175.6645 75 G 4.8292 7.6472 107.0006 45.1664 0.0000 172.4517 76 M 5.1798 7.9435 121.1869 53.7057 36.0355 173.5137 77 A 4.1263 8.1065 125.9900 50.5907 23.4766 175.9218 78 G 3.7590 5.7508 104.4981 45.8572 0.0000 171.8021 79 E 5.0783 8.0228 119.6191 54.9141 34.2632 175.3459 80 V 4.3544 8.9802 124.7637 62.9467 33.2018 174.6065 81 A 4.8405 8.9533 127.0802 50.9422 23.4841 174.7283 82 N 5.1961 8.7330 118.3348 52.2198 39.4081 172.2336 83 Y 4.3130 9.5897 127.5892 58.2027 39.6946 175.9957 84 H 3.9677 8.8321 125.5187 57.3556 26.2992 175.3166 85 G 4.0582 7.7881 109.0142 44.8701 0.0000 174.2615 86 A 4.8153 8.9031 122.5903 49.9063 22.4344 175.8592 87 V 4.8239 8.2826 121.1874 62.0320 32.4497 175.2098 88 V 4.8127 8.1199 120.2121 59.1612 36.9132 174.8201 89 L 4.4925 8.5722 122.4637 55.5713 41.7527 178.3116 90 G 4.1984 9.3842 112.6394 47.1102 0.0000 172.9803 91 K 5.0983 7.7752 118.5206 55.2445 36.5328 174.8591 92 L 4.8660 8.8294 123.5921 54.4426 46.1337 174.1294 93 G 4.1939 8.3962 110.3564 45.7282 0.0000 171.6868 94 F 5.5453 8.9772 118.0514 55.8577 44.1914 174.1174 95 S 5.4369 9.5542 116.1654 57.2240 66.9529 173.8325 96 T 5.5651 9.7987 114.4667 58.6637 72.0332 174.5703 97 N 4.7197 8.7163 115.0909 53.4163 37.1299 176.5853 98 K 4.4738 7.9652 117.6290 57.3909 35.0398 175.9770 99 K 4.3544 8.4929 117.4966 55.4315 35.4037 173.7126 100 A 5.0897 7.9868 124.4775 50.4940 21.3847 175.8422 101 Y 4.6581 8.5509 117.5848 57.0555 42.3755 176.6827 102 G 3.8825 8.8164 111.2456 45.6565 0.0000 171.7920 103 P 4.4899 0.0000 0.0000 62.6626 32.3382 175.3813 *104 F 4.5977 9.4673 119.7301 56.6628 40.6302 175.7515 105 G 4.5829 8.5163 111.0432 45.7904 0.0000 173.2190 106 N 4.9569 9.0184 118.2921 52.9355 39.6228 175.3948 107 T 4.4035 7.7906 115.1017 61.5299 70.7946 174.3954 108 G 4.0568 8.6515 115.6613 44.9735 0.0000 172.2643 109 G 4.4724 8.4091 105.8018 46.2744 0.0000 172.9819 110 T 4.2567 8.0532 118.0359 60.9946 68.2243 173.9882 111 P 5.0755 0.0000 0.0000 63.0139 32.8265 175.1018 112 F 4.9753 8.0849 114.3984 55.9685 41.4802 173.2263 113 S 4.4783 7.9089 112.2440 57.2693 65.5822 174.5043 114 L 4.8401 8.3520 123.3271 52.8991 41.8700 172.8911 115 P 4.6665 0.0000 0.0000 62.3387 32.9005 177.0391 116 I 4.3858 8.1650 123.3814 59.6282 38.1981 175.5021 117 A 4.0719 8.8574 131.0127 54.3639 18.6152 177.6666 118 A 4.4650 8.0644 117.2684 51.1488 21.8816 174.0511 119 G 3.8388 8.7073 108.5937 44.3499 0.0000 172.1299 120 K 4.7032 8.7694 117.1326 55.9702 36.4780 174.7704 121 I 4.7391 8.3287 122.5632 60.7590 37.6602 176.3018 122 S 4.5747 8.8113 120.7501 57.6212 64.8563 173.5373 123 G 4.0238 6.8542 106.8554 46.4635 0.0000 171.5382 124 F 5.9775 8.1341 117.2850 54.8154 44.0803 173.7082 125 F 4.6977 7.8952 113.2252 55.5028 40.4882 173.3607 126 G 3.6819 6.4108 109.2912 44.4864 0.0000 173.9774 127 R 5.2446 8.6516 123.9582 54.8483 34.8285 173.6666 128 G 4.6911 9.8044 108.8381 44.6343 0.0000 173.9306 129 G 4.2307 9.1393 113.8875 45.7950 0.0000 176.9777 130 K 3.9166 9.2381 128.9601 58.1540 32.2439 175.3239 131 F 5.2895 7.6538 115.5551 55.4446 43.2302 173.1455 132 L 4.6360 8.8196 124.0010 54.8029 40.8744 177.1446 133 D 4.5855 8.9778 126.1185 56.8726 41.9038 176.1484 134 A 4.9016 8.3005 118.3290 50.8364 23.4369 174.7035 135 I 4.6842 8.4019 118.8475 59.8731 41.8577 174.1544 136 G 3.7315 8.3502 115.8016 44.6327 0.0000 171.2733 137 V 4.8887 8.2665 110.7465 60.3841 36.8187 173.8280 138 Y 4.9773 8.8760 120.3055 56.8979 39.8313 174.8573 139 L 5.2809 8.7950 122.7404 53.2095 44.8963 175.8349 140 E 4.7708 9.2308 121.0388 53.6304 34.6647 174.1211 141 P 4.3497 0.0000 0.0000 63.3202 31.4733 176.3605 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 3 G 8.35 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 4 A 8.65 4.42 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 5 I 9.17 4.36 2.06 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 1.34 0.79 0.91 0.00 0.00 6 K 8.39 4.69 0.00 1.13 0.96 0.00 1.15 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.78 7.81 7 V 8.81 4.12 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 1.15 0.00 0.00 0.97 0.00 0.00 8 G 7.65 2.16 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 0.00 0.00 0.00 0.00 9 A 6.81 3.69 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 10 W 9.36 4.24 0.00 2.63 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 0.00 0.00 0.00 0.00 11 G 7.90 4.61 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 12 G 7.64 3.89 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 0.00 0.00 0.00 13 N 8.58 4.78 0.00 2.71 2.82 0.00 0.00 6.78 7.65 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 14 G 7.89 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 15 G 8.37 4.01 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 0.00 0.00 0.00 16 S 8.76 4.99 0.00 3.81 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 17 A 8.68 4.78 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 18 F 8.81 5.13 0.00 3.05 3.19 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 19 D 8.80 4.91 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 20 M 8.86 4.47 0.00 2.55 2.52 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 2.58 2.00 0.00 21 G 8.54 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 0.00 0.00 0.00 22 P 0.00 4.15 0.00 2.20 1.83 0.00 3.45 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 23 A 7.87 5.08 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 24 Y 8.98 4.31 0.00 2.80 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 25 R 7.80 4.62 0.00 1.97 1.76 0.00 3.28 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.65 0.00 26 I 8.53 4.41 1.92 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 1.41 0.49 0.98 0.00 0.00 27 I 9.18 4.40 2.11 0.00 0.00 0.88 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 0.71 0.91 0.00 0.00 28 S 7.69 5.06 0.00 3.97 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 29 V 8.95 4.77 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 0.57 0.00 0.00 0.80 0.00 0.00 30 K 8.93 4.91 0.00 1.68 1.44 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.06 1.25 7.81 31 I 8.82 4.84 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 1.01 0.00 0.00 32 F 9.38 5.33 0.00 3.03 3.15 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 33 S 9.28 5.28 0.00 3.99 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 34 G 9.25 4.18 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 0.00 35 D 9.62 4.59 0.00 2.36 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 36 V 6.98 4.33 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 -0.27 0.00 0.00 0.02 0.00 0.00 37 V 7.89 4.51 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 1.23 0.00 0.00 1.02 0.00 0.00 38 D 9.33 4.60 0.00 2.97 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 39 G 7.65 4.10 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 0.00 40 V 8.99 5.26 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 0.89 0.00 0.00 1.02 0.00 0.00 41 D 9.21 5.38 0.00 2.70 2.50 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 42 V 8.71 4.91 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 1.33 0.00 0.00 1.04 0.00 0.00 43 T 8.58 5.17 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 44 F 8.41 5.41 0.00 3.39 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 45 T 9.01 4.95 4.35 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 1.29 0.00 0.00 46 Y 9.19 4.90 0.00 3.30 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 47 Y 8.89 3.10 0.00 2.86 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 48 G 8.13 4.01 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 0.00 0.00 0.00 49 K 7.71 4.57 0.00 1.82 1.76 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.60 7.81 50 T 8.32 4.81 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 1.13 0.00 0.00 51 E 8.59 4.60 0.00 1.16 1.50 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 2.01 2.21 0.00 52 T 7.97 5.12 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 0.99 0.00 0.00 53 R 9.07 4.49 0.00 1.44 1.03 0.00 3.32 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 54 H 8.08 5.58 0.00 2.81 3.02 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 9.07 4.46 0.00 2.50 1.78 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 56 G 8.94 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 57 G 8.29 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 0.00 0.00 0.00 0.00 58 S 8.32 4.29 0.00 3.82 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 59 G 7.60 3.75 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 0.00 0.00 0.00 60 G 8.75 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 0.00 0.00 0.00 0.00 61 T 8.20 4.77 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 1.13 0.00 0.00 62 P 0.00 4.14 0.00 1.70 1.40 0.00 3.55 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 2.03 1.99 0.00 63 H 8.55 4.67 0.00 3.16 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.79 4.96 0.00 1.84 1.73 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 2.11 2.33 0.00 65 I 8.96 4.08 1.55 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 0.35 0.24 0.28 0.00 0.00 66 V 8.13 4.58 2.04 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 0.78 0.00 0.00 0.91 0.00 0.00 67 L 8.53 4.17 0.00 1.50 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.38 4.21 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 69 E 8.57 3.86 0.00 1.90 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 2.30 2.34 0.00 70 G 8.61 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 71 E 7.21 4.63 0.00 1.77 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 2.21 2.21 0.00 72 Y 8.16 4.90 0.00 2.99 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 73 L 8.58 4.65 0.00 1.71 1.80 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.99 4.27 2.15 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 0.81 0.00 0.00 1.07 0.00 0.00 75 G 7.65 4.83 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 0.00 0.00 0.00 76 M 7.94 5.18 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.54 0.00 77 A 8.11 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 5.75 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 0.00 0.00 0.00 79 E 8.02 5.08 0.00 1.85 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 2.20 2.08 0.00 80 V 8.98 4.35 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 0.97 0.00 0.00 1.11 0.00 0.00 81 A 8.95 4.84 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 82 N 8.73 5.20 0.00 2.74 2.76 0.00 0.00 6.89 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 83 Y 9.59 4.31 0.00 2.76 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 84 H 8.83 3.97 0.00 2.80 3.33 0.00 5.92 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 85 G 7.79 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 86 A 8.90 4.82 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.28 4.82 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 1.20 0.00 0.00 0.96 0.00 0.00 88 V 8.12 4.81 2.24 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 0.98 0.00 0.00 0.75 0.00 0.00 89 L 8.57 4.49 0.00 1.82 1.73 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 G 9.38 4.20 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 0.00 91 K 7.78 5.10 0.00 1.59 1.56 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.57 7.81 92 L 8.83 4.87 0.00 1.80 1.48 0.97 1.21 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 93 G 8.40 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 94 F 8.98 5.55 0.00 2.98 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 95 S 9.55 5.44 0.00 3.79 3.78 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 96 T 9.80 5.57 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 1.43 0.00 0.00 97 N 8.72 4.72 0.00 3.05 3.19 0.00 0.00 5.68 7.17 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 98 K 7.97 4.47 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.50 7.81 99 K 8.49 4.35 0.00 1.67 1.61 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.54 1.07 7.81 100 A 7.99 5.09 1.17 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 0.00 0.00 101 Y 8.55 4.66 0.00 3.28 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 0.00 102 G 8.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 1.95 1.79 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 *104 F 9.47 4.60 0.00 2.34 2.01 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 G 8.52 4.58 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 0.00 0.00 0.00 106 N 9.02 4.96 0.00 2.64 2.79 0.00 0.00 6.72 8.20 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 0.00 107 T 7.79 4.40 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 1.27 0.00 0.00 108 G 8.65 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 0.00 109 G 8.41 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.05 4.26 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 0.00 111 P 0.00 5.08 0.00 1.97 1.94 0.00 3.81 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 1.95 1.91 0.00 112 F 8.08 4.98 0.00 2.22 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 0.00 113 S 7.91 4.48 0.00 3.68 3.59 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 0.00 114 L 8.35 4.84 0.00 1.57 1.62 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.67 0.00 2.12 2.02 0.00 3.75 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 1.99 1.98 0.00 116 I 8.17 4.39 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 1.00 0.00 0.00 117 A 8.86 4.07 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 0.00 118 A 8.06 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.71 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 0.00 120 K 8.77 4.70 0.00 1.79 1.75 0.00 1.35 0.00 0.00 1.20 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.37 7.81 121 I 8.33 4.74 1.92 0.00 0.00 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 1.37 0.66 0.65 0.00 0.00 122 S 8.81 4.57 0.00 3.82 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 0.00 123 G 6.85 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 0.00 124 F 8.13 5.98 0.00 3.17 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 0.00 125 F 7.90 4.70 0.00 3.05 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 0.00 126 G 6.41 3.68 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 0.00 0.00 0.00 127 R 8.65 5.24 0.00 1.74 1.96 0.00 3.08 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 128 G 9.80 4.69 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 0.00 129 G 9.14 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 0.00 0.00 0.00 0.00 130 K 9.24 3.92 0.00 1.61 1.36 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.47 1.10 7.81 131 F 7.65 5.29 0.00 3.15 3.07 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 0.00 132 L 8.82 4.64 0.00 1.90 1.83 1.23 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.98 4.59 0.00 2.78 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 0.00 134 A 8.30 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.40 4.68 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 1.00 0.00 0.00 136 G 8.35 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 0.00 0.00 0.00 137 V 8.27 4.89 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 0.91 0.00 0.00 1.11 0.00 0.00 138 Y 8.88 4.98 0.00 2.96 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 0.00 139 L 8.80 5.28 0.00 1.51 1.56 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.23 4.77 0.00 1.80 1.74 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 2.25 2.31 0.00 141 P 0.00 4.35 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.