NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5270 8.1933 115.3079 57.8737 63.6572 174.7099 1 L 3.9016 8.6252 126.5960 57.1258 41.8758 176.8263 2 Y 4.2953 8.3904 118.8919 60.1921 40.0271 175.0330 3 D 4.8183 8.6812 120.0927 51.6123 41.6921 173.4165 4 P 4.5513 0.0000 0.0000 63.7629 31.9092 177.1450 5 A 4.9882 8.1679 120.7607 51.7596 19.3737 178.3649 6 E 4.3061 8.5725 118.5578 59.9250 29.4998 179.5456 7 K 4.1866 8.1558 116.7714 58.9474 32.7124 177.1290 8 Y 4.1690 8.3573 116.7058 59.0398 38.2003 175.2875 9 F 4.9641 8.1591 118.4532 55.6990 41.6286 174.6163 10 N 5.0886 8.6139 119.5036 52.7046 37.8617 174.0379 11 C 4.5748 8.0941 113.3717 57.5132 31.9052 173.4436 12 T 4.2299 8.4934 111.1309 61.3309 70.4199 175.2935 13 D 4.4681 8.6079 121.4541 57.6740 40.9080 178.9685 14 I 3.7967 7.7917 118.6027 64.1490 38.0594 177.7003 15 Q 4.1496 8.0278 118.6598 58.9931 28.4632 178.8172 16 R 3.7069 7.9937 119.3871 59.3353 30.0243 178.3425 17 A 3.9391 8.0376 120.4551 55.1605 18.3629 179.6211 18 F 3.9663 8.3726 116.1874 60.5779 39.0413 177.4521 19 F 4.3466 8.5505 120.3005 61.6657 39.1714 176.9629 20 E 3.7584 8.5802 118.0794 59.2850 29.2382 179.2070 21 A 4.0369 8.1686 120.8850 55.0067 18.3615 179.8646 22 G 3.5270 8.1168 104.1088 47.9882 0.0000 175.6676 23 I 3.5593 7.4427 122.6954 64.1596 37.1120 178.6855 24 K 3.9948 7.9197 118.9501 59.3266 31.8208 179.5761 25 L 4.0935 7.9992 119.4424 57.6938 41.6961 179.6349 26 G 3.6918 8.2957 105.5849 47.7273 0.0000 175.4238 27 A 3.9973 8.3678 123.7420 54.9829 18.4483 179.6949 28 I 3.9466 7.9740 118.2772 64.5853 36.8295 178.4111 29 F 3.9709 8.3200 121.2933 61.7991 39.0784 176.7886 30 H 4.3509 8.1007 113.6593 58.0459 28.7056 177.3129 31 Q 3.8381 8.2821 121.4905 58.7291 29.0544 176.7781 32 Y 4.5717 7.6249 116.6498 57.9242 38.8843 176.1314 33 T 3.9620 6.6894 109.1359 63.1316 69.0869 174.2925 34 G 4.0166 8.8835 113.4195 45.2378 0.0000 174.0796 35 I 4.0050 7.5290 121.7849 60.4367 38.1765 173.9148 36 P 5.1072 0.0000 0.0000 63.0181 31.9522 176.0936 37 V 4.8713 9.3578 124.0686 60.2304 35.2228 174.5979 38 N 5.3086 9.4150 120.8529 51.6025 40.1263 174.6057 39 S 4.1949 8.1422 111.8946 61.8145 63.0124 175.6468 40 E 4.1184 8.4358 120.3790 58.4144 29.4266 177.1340 41 N 4.9278 8.0798 112.2689 51.5282 38.9320 175.7651 42 A 3.9895 8.1420 122.2611 55.6953 18.4296 180.1455 43 S 4.2478 7.9845 113.1594 62.0371 62.9291 176.4733 44 M 4.0560 8.0486 120.1717 58.3712 32.0049 177.9503 45 A 4.0649 8.4011 121.5148 55.1796 18.5562 179.4606 46 E 3.8568 8.2707 117.0594 59.6063 29.4946 179.2307 47 E 3.9034 8.2858 119.3119 59.0740 29.6098 178.6849 48 F 4.2012 8.4910 120.8690 61.4346 39.5604 177.2110 49 I 2.6903 7.5315 119.3302 63.8954 36.7288 178.2382 50 E 3.8368 8.0775 119.3568 59.6299 29.1424 179.7379 51 R 3.9021 7.8520 116.6782 59.3173 30.5311 179.0826 52 S 4.1750 7.9554 115.0536 61.8547 62.7645 176.9091 53 T 4.1385 7.8480 118.4583 66.7832 67.9541 176.7608 54 M 4.1237 7.8405 119.9874 57.7824 32.0062 177.9736 55 I 4.0082 7.0815 110.1093 61.2402 38.6662 176.1833 56 Q 4.2306 7.3501 120.6175 54.3610 29.5696 173.5838 57 P 3.7486 0.0000 0.0000 63.8635 31.8806 176.6640 58 F 4.0529 8.1362 118.8432 58.2021 36.3891 174.2731 59 V 4.4167 7.2741 119.9184 62.1545 31.8483 174.9676 60 E 4.4559 9.3879 128.8953 57.8647 30.9003 175.5999 61 N 5.0691 7.7606 115.9236 52.1646 42.7958 173.2945 62 V 4.9118 8.2686 123.6266 61.1256 34.9279 174.2744 63 R 4.7716 9.1569 127.7802 54.6110 32.8635 173.7880 64 I 5.0110 9.5905 127.6988 59.5927 39.8663 175.2369 65 S 4.9028 9.0834 122.4780 56.7696 66.1738 172.9113 66 I 4.9817 9.3910 126.4248 59.6724 38.6173 174.6899 67 N 5.0009 8.7330 124.4817 50.6074 40.6571 173.3305 68 N 4.1373 8.5976 112.5540 54.2757 36.1922 174.6402 69 V 4.0396 7.7263 116.7668 61.9572 32.6346 175.8134 70 K 4.2211 8.6481 127.2672 56.3974 33.3298 176.4372 71 R 4.1927 8.5092 123.5337 55.7850 30.7309 176.6725 72 S 4.4760 8.6201 118.0770 58.5883 63.0152 173.5482 *75 T 4.4626 8.4871 124.0698 63.9405 70.0995 175.5825 76 Y 4.9181 7.4495 116.9442 58.2424 38.0226 175.4229 77 S 4.7336 8.0877 110.0876 58.5360 64.0963 172.7106 78 Y 5.0736 7.4678 117.5251 57.0049 41.4022 173.2877 79 S 4.5321 8.8948 113.1749 56.4568 67.2635 173.3476 80 S 4.7138 8.4913 117.1170 58.0209 63.4397 173.9753 81 L 4.0114 9.0574 127.9290 56.0665 43.1364 175.7012 82 N 5.2930 8.4992 122.6856 50.4903 40.7429 174.9671 83 E 4.1541 8.7644 115.8001 59.1119 29.7600 178.3240 84 K 3.4098 7.8831 118.0541 58.0186 32.4518 177.6016 85 M 4.4276 7.9400 117.7023 55.7613 32.8952 175.0860 86 L 4.7161 7.7986 120.7962 53.9774 43.1643 175.1311 87 H 5.2786 9.2071 126.6150 54.3565 32.7179 172.4767 88 A 5.1509 8.6505 125.9310 50.2893 23.0495 174.6430 89 E 4.8670 9.3534 120.2955 54.5748 33.5761 174.8997 90 V 4.6257 8.8912 125.3496 60.8897 34.5126 173.9048 91 L 4.8313 9.0364 131.3108 54.0109 43.3961 175.1011 92 I 4.7645 8.7882 128.4328 60.1681 39.2172 174.5673 93 N 5.2586 9.4479 125.2867 52.1712 41.2669 173.1512 94 Y 4.2850 9.0272 129.1426 56.3182 39.5077 174.7156 95 N 3.8282 10.4476 127.7572 54.3890 38.0012 174.9282 96 G 3.9974 8.6513 106.0844 44.6954 0.0000 174.7847 97 K 4.2900 8.1002 120.3088 55.6144 32.9481 175.6346 98 K 5.6479 8.4830 122.5610 53.7688 35.3594 175.1893 99 V 4.5311 8.0961 123.4615 60.8757 35.1532 173.4652 100 L 4.8350 8.7936 130.4227 53.7091 43.6879 175.0615 101 G 4.3352 9.1575 114.4305 44.6518 0.0000 172.4299 102 V 4.7287 8.5869 123.9642 60.6170 35.0068 173.6825 103 L 5.1005 8.5936 130.0264 53.4207 44.2006 174.6172 104 N 5.4045 9.2536 125.0800 52.1828 42.5589 172.6498 105 Y 4.5992 9.0063 127.9286 57.8361 40.4505 173.5667 106 D 4.8471 8.5415 127.6804 52.7462 42.0035 176.8254 107 E 4.0536 9.0553 126.8667 59.4816 29.9309 178.8837 108 G 3.7480 8.2025 106.4298 48.4454 0.0000 174.4563 109 L 4.0772 8.4759 118.8337 54.7221 42.4752 176.3497 110 D 4.1946 7.5092 117.1761 53.3547 38.8786 172.9161 111 Y 4.7877 6.4377 117.8413 55.6974 43.0081 172.7239 112 P 4.7979 0.0000 0.0000 61.8964 31.4702 175.3017 113 V 3.9989 8.6742 127.2759 63.3026 32.8104 174.3308 114 M 5.2784 8.8342 127.5475 53.8463 33.9545 174.5544 115 Y 5.1828 8.9595 121.1773 55.5462 42.4735 173.7974 116 A 5.1955 8.6759 119.6389 50.6365 22.4689 175.7796 117 K 4.8613 8.8566 119.2669 54.3509 36.7512 175.6089 118 E 4.3826 9.0584 124.8999 56.4841 30.2747 176.0433 119 V 4.6150 8.6044 119.0018 59.4915 36.1710 175.8185 120 L 4.2248 8.3821 120.4748 55.1441 41.7102 176.9905 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 S 8.19 4.53 0.00 4.03 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 1 L 8.63 3.90 0.00 1.83 1.78 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.39 4.30 0.00 2.89 3.06 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 3 D 8.68 4.82 0.00 2.95 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 4 P 0.00 4.55 0.00 2.16 2.17 0.00 3.81 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 5 A 8.17 4.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.31 0.00 2.36 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 2.44 2.39 0.00 7 K 8.16 4.19 0.00 1.85 2.00 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.68 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.02 1.20 7.81 8 Y 8.36 4.17 0.00 2.97 2.58 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 9 F 8.16 4.96 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 10 N 8.61 5.09 0.00 2.77 2.84 0.00 0.00 6.03 7.68 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 11 C 8.09 4.57 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.23 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 1.27 0.00 0.00 13 D 8.61 4.47 0.00 2.79 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 14 I 7.79 3.80 1.97 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 1.86 1.62 1.00 0.00 0.00 15 Q 8.03 4.15 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 R 7.99 3.71 0.00 1.40 1.57 0.00 2.74 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.53 0.00 17 A 8.04 3.94 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 18 F 8.37 3.97 0.00 3.32 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 19 F 8.55 4.35 0.00 3.13 3.29 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 20 E 8.58 3.76 0.00 2.14 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 2.49 2.41 0.00 21 A 8.17 4.04 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 22 G 8.12 3.53 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 0.00 0.00 0.00 23 I 7.44 3.56 1.80 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.01 0.81 0.00 0.00 24 K 7.92 3.99 0.00 1.82 1.84 0.00 1.51 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 L 8.00 4.09 0.00 1.70 1.71 0.85 0.82 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 26 G 8.30 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 27 A 8.37 4.00 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 28 I 7.97 3.95 2.04 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 1.53 0.78 1.03 0.00 0.00 29 F 8.32 3.97 0.00 3.26 3.06 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 30 H 8.10 4.35 0.00 3.24 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.28 3.84 0.00 1.70 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.00 32 Y 7.62 4.57 0.00 3.15 2.99 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 33 T 6.69 3.96 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 0.59 0.00 0.00 34 G 8.88 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 35 I 7.53 4.00 1.95 0.00 0.00 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 1.36 0.72 0.93 0.00 0.00 36 P 0.00 5.11 0.00 1.77 1.99 0.00 3.69 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 1.87 1.85 0.00 37 V 9.36 4.87 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 0.84 0.00 0.00 1.00 0.00 0.00 38 N 9.42 5.31 0.00 3.14 3.13 0.00 0.00 6.42 7.99 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 39 S 8.14 4.19 0.00 3.96 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 40 E 8.44 4.12 0.00 2.26 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 0.00 2.34 2.25 0.00 41 N 8.08 4.93 0.00 2.76 2.93 0.00 0.00 6.17 7.63 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 42 A 8.14 3.99 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 43 S 7.98 4.25 0.00 3.88 3.92 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 44 M 8.05 4.06 0.00 2.15 2.05 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 2.66 2.59 0.00 45 A 8.40 4.06 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 46 E 8.27 3.86 0.00 2.17 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 2.32 2.49 0.00 47 E 8.29 3.90 0.00 2.15 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 0.00 2.32 2.32 0.00 48 F 8.49 4.20 0.00 3.10 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 49 I 7.53 2.69 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.39 0.30 0.00 0.00 50 E 8.08 3.84 0.00 2.15 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 0.00 2.33 2.35 0.00 51 R 7.85 3.90 0.00 1.92 1.97 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 52 S 7.96 4.18 0.00 3.49 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 53 T 7.85 4.14 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 1.18 0.00 0.00 54 M 7.84 4.12 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 55 I 7.08 4.01 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.50 0.93 0.00 0.00 56 Q 7.35 4.23 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 57 P 0.00 3.75 0.00 1.44 0.98 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 58 F 8.14 4.05 0.00 3.31 3.39 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 59 V 7.27 4.42 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 0.74 0.00 0.00 1.04 0.00 0.00 60 E 9.39 4.46 0.00 2.00 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 0.00 2.25 2.25 0.00 61 N 7.76 5.07 0.00 2.83 2.56 0.00 0.00 6.57 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.27 4.91 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 0.77 0.00 0.00 0.89 0.00 0.00 63 R 9.16 4.77 0.00 1.90 1.72 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 64 I 9.59 5.01 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.86 0.00 0.00 65 S 9.08 4.90 0.00 3.75 3.72 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 66 I 9.39 4.98 1.88 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 1.29 0.57 0.92 0.00 0.00 67 N 8.73 5.00 0.00 2.66 2.80 0.00 0.00 7.15 8.51 0.00 0.00 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 N 8.60 4.14 0.00 2.83 2.90 0.00 0.00 6.76 7.68 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 69 V 7.73 4.04 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 0.79 0.00 0.00 1.00 0.00 0.00 70 K 8.65 4.22 0.00 1.78 1.73 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.46 7.81 71 R 8.51 4.19 0.00 1.70 1.88 0.00 3.39 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 72 S 8.62 4.48 0.00 3.85 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 *75 T 8.49 4.46 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 1.12 0.00 0.00 76 Y 7.45 4.92 0.00 2.88 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 77 S 8.09 4.73 0.00 4.14 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 78 Y 7.47 5.07 0.00 3.10 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 79 S 8.89 4.53 0.00 3.80 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 80 S 8.49 4.71 0.00 3.74 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 81 L 9.06 4.01 0.00 1.85 1.58 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.50 5.29 0.00 2.75 2.93 0.00 0.00 5.99 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 83 E 8.76 4.15 0.00 2.44 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 0.00 2.29 2.31 0.00 84 K 7.88 3.41 0.00 1.59 1.43 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.89 7.81 85 M 7.94 4.43 0.00 2.17 2.17 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 2.67 2.52 0.00 86 L 7.80 4.72 0.00 1.62 1.62 0.93 0.92 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 87 H 9.21 5.28 0.00 3.33 3.29 0.00 5.78 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 88 A 8.65 5.15 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 89 E 9.35 4.87 0.00 1.83 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 2.14 2.20 0.00 90 V 8.89 4.63 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 0.91 0.00 0.00 0.89 0.00 0.00 91 L 9.04 4.83 0.00 1.73 1.71 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.79 4.76 1.92 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 1.08 1.02 1.01 0.00 0.00 93 N 9.45 5.26 0.00 2.77 2.77 0.00 0.00 6.97 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 94 Y 9.03 4.28 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 10.45 3.83 0.00 2.09 2.75 0.00 0.00 7.54 6.77 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 96 G 8.65 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 97 K 8.10 4.29 0.00 2.03 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.61 7.81 98 K 8.48 5.65 0.00 1.87 1.65 0.00 2.04 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 99 V 8.10 4.53 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 0.30 0.00 0.00 0.19 0.00 0.00 100 L 8.79 4.83 0.00 1.74 1.46 0.90 1.14 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 0.00 101 G 9.16 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 0.00 0.00 0.00 102 V 8.59 4.73 0.67 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 0.92 0.00 0.00 0.64 0.00 0.00 103 L 8.59 5.10 0.00 1.78 1.48 0.97 0.71 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 0.00 104 N 9.25 5.40 0.00 2.99 2.79 0.00 0.00 6.40 8.01 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 0.00 105 Y 9.01 4.60 0.00 3.38 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 0.00 106 D 8.54 4.85 0.00 2.69 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 0.00 0.00 0.00 107 E 9.06 4.05 0.00 2.04 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 0.00 2.45 2.35 0.00 108 G 8.20 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 0.00 109 L 8.48 4.08 0.00 1.56 1.69 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.51 4.19 0.00 2.85 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 0.00 111 Y 6.44 4.79 0.00 2.93 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 0.00 112 P 0.00 4.80 0.00 1.91 2.29 0.00 2.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.07 0.00 113 V 8.67 4.00 2.33 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 1.18 0.00 0.00 1.08 0.00 0.00 114 M 8.83 5.28 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 115 Y 8.96 5.18 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 0.00 116 A 8.68 5.20 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 0.00 117 K 8.86 4.86 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.61 7.81 118 E 9.06 4.38 0.00 2.13 1.96 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 2.32 2.50 0.00 119 V 8.60 4.62 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 0.74 0.00 0.00 0.95 0.00 0.00 120 L 8.38 4.22 0.00 1.63 1.57 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.