NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.5072 8.2893 118.7982 54.0808 32.7633 177.4093 4 S 4.7897 8.8312 112.2586 54.9761 67.8312 172.6335 5 D 4.4782 9.3225 123.1973 56.4152 39.4103 179.7165 6 L 4.1349 7.8910 120.1969 57.3387 41.7592 179.1964 7 V 3.6708 7.8641 118.3643 66.2550 31.6204 178.1920 8 T 3.8755 8.3775 115.9981 66.3918 68.0494 176.2840 9 K 3.8697 7.6335 120.2742 59.5992 32.6215 178.1189 10 F 4.3567 8.4019 120.7520 61.5521 39.1566 176.8368 11 E 4.0241 8.6709 117.8281 57.8604 29.3293 178.9444 12 S 4.1648 7.6437 113.3955 59.6706 63.7998 174.4150 13 L 4.3689 7.0834 123.1638 53.4226 42.6268 177.8886 14 I 3.6584 8.0593 115.9269 63.7554 37.3903 178.1930 15 I 3.3857 7.6147 120.3476 63.6368 37.1720 177.2911 16 S 3.7971 7.6192 114.2545 59.6302 62.6142 175.3559 17 K 4.5149 7.5207 123.0475 56.0002 32.6359 176.4523 *18 Y 4.0808 6.6002 118.6915 55.7492 37.3931 178.0831 19 P 4.7889 0.0000 0.0000 62.4161 33.8810 180.3026 20 V 3.8984 7.8561 120.5947 58.7467 31.1299 178.6254 21 S 3.8607 8.7763 109.2109 60.5125 58.9058 171.3526 22 F 4.9627 7.8610 120.2099 58.2610 39.7803 176.9306 23 T 4.3536 8.8978 115.8321 60.8326 71.1654 175.7952 24 K 4.0217 8.6081 123.2008 60.2677 32.0498 179.0343 25 E 3.9814 8.0631 118.1539 61.1827 29.7022 180.8828 26 Q 3.9418 7.9749 119.3372 58.8366 28.7106 179.1527 27 S 4.2687 8.4353 116.2502 61.5069 62.7819 176.7668 28 A 4.0255 8.0136 125.7679 55.7709 18.2038 179.9929 29 Q 3.9677 8.2148 119.3213 60.6310 28.0835 180.9558 30 A 4.3442 8.2510 122.8615 54.9677 18.4685 179.6152 31 A 3.9722 8.1913 119.2948 55.1609 18.4204 179.5827 32 Q 3.7203 8.2242 118.1966 59.2603 29.0609 178.7605 33 W 4.1365 7.9481 119.8866 59.4430 29.0651 177.9798 34 E 4.0160 8.5715 119.8370 59.6040 29.0727 179.2620 35 S 4.1710 8.2066 113.9164 61.1038 63.0358 176.5688 36 V 3.4929 7.6932 122.1606 65.7994 31.2358 178.0413 37 L 4.0494 8.3980 119.1357 57.8928 41.2979 179.7188 38 K 4.0884 8.0609 117.5098 59.0284 32.0854 178.7817 39 S 4.4745 8.0790 112.1620 57.8600 63.5028 174.2273 40 G 3.9590 7.9056 110.4721 47.4041 0.0000 174.0731 41 Q 4.7184 8.0266 116.1238 55.1212 29.6486 177.5609 42 I 3.9621 7.9888 120.8890 64.1982 38.6600 177.5517 43 Q 3.9887 8.3264 120.6222 58.8394 28.7566 176.3645 44 P 4.4854 0.0000 0.0000 64.6018 31.5137 177.1001 45 H 4.8885 8.1391 114.7680 55.6528 28.9630 176.4023 46 L 4.0977 7.8651 124.3001 57.9566 41.4009 178.9988 47 D 4.4778 8.2675 118.4748 57.4780 40.7838 178.5116 48 Q 4.0166 8.1598 119.4982 59.0456 29.0880 177.6844 49 L 3.8916 8.4369 121.5959 58.3482 42.0775 178.4505 50 N 4.2890 8.5446 117.1527 56.7084 38.6349 176.5819 51 L 3.9783 7.7555 120.9029 57.8414 42.3678 178.7117 52 V 3.7328 8.2365 118.7232 66.1567 31.1606 178.0384 53 L 4.2010 8.0104 119.3840 56.2457 41.1282 179.2433 54 R 3.3924 7.5427 118.7693 58.7468 30.0941 176.6574 55 D 4.7582 7.5847 114.5749 53.9826 41.7795 175.9659 56 N 4.9310 7.5575 117.1211 51.3766 42.1322 175.2824 57 T 3.5092 8.6809 120.1577 66.0038 68.9414 174.3238 58 F 5.1686 7.3188 117.9845 55.1102 42.2503 176.2665 59 I 3.3975 9.2411 123.9272 64.1487 36.8406 177.6590 60 V 4.1643 7.6980 117.2600 62.3194 31.5321 175.0937 61 S 3.6969 7.6597 111.4076 59.2739 60.7666 172.4308 62 T 4.6448 7.7772 107.7031 59.9516 70.9057 174.4771 63 L 4.0900 8.2742 120.9828 56.4769 42.0189 176.9536 64 Y 4.6969 7.3598 114.7315 54.7594 41.7962 173.2521 65 P 3.8008 0.0000 0.0000 63.0006 32.0947 175.8141 66 T 4.9463 8.5506 110.4597 59.3714 73.1003 174.9980 67 S 3.8202 8.6844 114.8600 61.8451 62.5974 176.5785 68 T 3.9812 7.7002 118.0305 66.5574 68.1683 176.0957 69 D 4.6569 8.0919 120.2662 57.5800 40.9145 179.0341 70 V 3.4499 7.2999 118.0695 66.2143 31.6221 177.7589 71 H 4.2624 8.5443 116.2799 59.0174 28.6104 178.0361 72 V 3.7731 8.1489 120.1292 65.9277 31.2441 177.7739 73 F 4.3521 8.7630 120.6464 61.3577 38.9623 176.6482 74 E 3.7152 8.3186 118.0513 59.0059 29.2341 178.4709 75 V 3.8424 7.4703 116.7555 65.3415 31.7793 177.9087 76 A 3.8986 8.5319 121.0099 54.6113 18.1447 179.1123 77 L 3.7020 7.7894 119.6007 57.9441 42.0545 177.6628 78 P 4.1701 0.0000 0.0000 65.7568 31.1833 178.3121 79 L 3.9492 7.4050 118.5600 57.6916 41.4501 179.5104 80 I 3.6463 8.0600 120.1575 64.0527 36.9503 178.4401 81 K 3.8979 8.2833 119.7725 59.7038 31.8746 178.8326 82 D 4.3019 8.1061 118.1129 57.0362 40.8863 178.2484 83 L 3.9712 7.6715 118.9974 57.7145 41.7905 179.3702 84 V 3.6915 8.0714 118.0782 66.0180 31.3149 177.9859 85 A 4.0445 8.1583 119.8256 54.5942 18.3231 178.8131 86 S 4.4704 7.9184 110.0228 57.6915 63.9646 174.6164 87 S 4.1318 7.3735 121.1274 58.9682 62.4781 174.9663 88 K 4.1375 8.5808 128.7197 56.7765 32.1094 174.7227 89 D 4.5618 7.9510 116.5913 52.7900 42.6602 175.4395 90 V 3.3440 8.0398 127.1742 64.1107 31.5617 178.0049 91 K 3.9861 7.9578 120.0536 59.3141 32.2073 178.7420 92 S 4.1360 8.0707 114.5175 61.5806 62.8380 176.6092 93 T 3.8996 7.7052 119.0380 66.7649 68.0240 175.9761 94 Y 4.5603 7.8944 117.4544 61.8153 37.9814 178.8701 95 T 4.0556 7.9531 115.4245 66.7877 68.5832 176.6053 96 T 3.9582 7.5147 116.3790 65.0454 68.9339 174.4652 97 Y 4.9369 7.6867 118.7063 57.0174 39.3815 178.1521 98 R 3.9871 8.2110 120.7402 59.8730 30.4157 178.0434 99 H 4.3983 7.8104 115.3126 58.6649 28.9370 177.5993 100 I 3.8846 7.8909 121.2258 64.5142 36.9668 178.2973 101 L 4.1270 8.3596 119.9037 57.6346 41.5779 179.2037 102 R 3.9450 8.0048 118.7160 59.5655 29.9248 178.3779 103 W 4.2555 8.3323 127.5882 60.2778 30.6688 177.9353 104 I 3.6314 8.7479 120.3101 64.4782 36.4775 177.5949 105 D 4.3388 8.2651 118.6997 57.5859 40.9932 177.8592 106 Y 3.8161 7.8572 119.2133 61.1117 38.8418 177.9227 107 M 3.8681 8.0931 120.2685 58.0530 31.7833 178.7599 108 Q 3.9420 8.1927 118.2110 58.9233 28.7369 178.3303 109 N 4.2179 7.7614 118.7511 55.8128 38.3845 176.9275 110 L 3.7659 7.7168 121.3856 58.1125 42.1018 177.7485 111 L 4.3223 7.8112 114.8082 53.9606 41.8793 176.3425 112 E 3.7353 7.6864 117.4294 57.0657 27.4082 175.4316 113 V 3.7577 7.5756 117.4659 62.4934 32.6287 176.2130 114 S 4.2591 8.5407 121.5281 58.5732 64.5256 175.4690 115 S 4.0468 8.6876 118.0796 61.8252 62.0987 176.2450 116 T 4.0403 7.7777 114.7983 64.9232 67.3547 175.3384 117 D 4.5454 7.7129 118.1271 54.6331 41.4425 177.1679 118 K 4.2610 7.4734 119.3348 56.0910 32.6791 176.1089 119 L 4.1812 8.5293 124.2403 53.8453 42.5683 176.0061 120 E 3.8937 8.7846 126.8543 56.5645 29.2979 175.9687 121 I 4.0626 8.3152 130.8459 60.9315 37.7369 176.6505 122 N 4.5605 8.2225 121.7803 52.3289 38.5383 170.5435 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 M 8.29 4.51 0.00 2.05 1.65 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 4 S 8.83 4.79 0.00 4.21 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 5 D 9.32 4.48 0.00 2.99 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 6 L 7.89 4.13 0.00 1.78 1.83 1.03 0.99 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 7 V 7.86 3.67 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 1.22 0.00 0.00 0.97 0.00 0.00 8 T 8.38 3.88 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 1.22 0.00 0.00 9 K 7.63 3.87 0.00 1.95 2.00 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.77 7.81 10 F 8.40 4.36 0.00 3.13 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 11 E 8.67 4.02 0.00 1.97 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 2.57 2.46 0.00 12 S 7.64 4.16 0.00 4.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.08 4.37 0.00 1.59 1.46 0.90 0.56 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 14 I 8.06 3.66 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.83 0.00 0.00 15 I 7.61 3.39 1.77 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.06 0.81 0.00 0.00 16 S 7.62 3.80 0.00 3.27 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 17 K 7.52 4.51 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.46 7.81 *18 Y 6.60 4.08 0.00 2.28 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 0.00 0.00 0.00 0.00 19 P 0.00 4.79 0.00 2.18 2.08 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 20 V 7.86 3.90 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 0.72 0.00 0.00 0.93 0.00 0.00 21 S 8.78 3.86 0.00 3.77 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 22 F 7.86 4.96 0.00 3.00 2.92 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 23 T 8.90 4.35 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 1.25 0.00 0.00 24 K 8.61 4.02 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 25 E 8.06 3.98 0.00 2.01 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 2.31 1.97 0.00 26 Q 7.97 3.94 0.00 2.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 27 S 8.44 4.27 0.00 4.09 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 28 A 8.01 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.21 3.97 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 30 A 8.25 4.34 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.19 3.97 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 32 Q 8.22 3.72 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.45 1.96 0.00 33 W 7.95 4.14 0.00 3.55 3.31 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 34 E 8.57 4.02 0.00 2.20 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 0.00 2.34 2.37 0.00 35 S 8.21 4.17 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.69 3.49 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 1.14 0.00 0.00 0.45 0.00 0.00 37 L 8.40 4.05 0.00 1.93 1.75 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.06 4.09 0.00 1.74 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 39 S 8.08 4.47 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.91 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 41 Q 8.03 4.72 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 42 I 7.99 3.96 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.97 0.00 0.00 43 Q 8.33 3.99 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 44 P 0.00 4.49 0.00 2.03 2.09 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 45 H 8.14 4.89 0.00 3.45 3.49 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.87 4.10 0.00 1.76 1.78 0.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.27 4.48 0.00 2.74 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 48 Q 8.16 4.02 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 L 8.44 3.89 0.00 1.85 1.84 -0.15 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.54 4.29 0.00 3.04 3.06 0.00 0.00 6.91 6.99 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 51 L 7.76 3.98 0.00 1.71 1.89 0.91 1.07 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 52 V 8.24 3.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.22 0.00 0.00 53 L 8.01 4.20 0.00 1.65 1.57 -0.11 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.54 3.39 0.00 1.68 1.99 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 55 D 7.58 4.76 0.00 2.60 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 56 N 7.56 4.93 0.00 2.68 2.70 0.00 0.00 6.91 6.93 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 57 T 8.68 3.51 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 0.13 0.00 0.00 58 F 7.32 5.17 0.00 3.13 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 59 I 9.24 3.40 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.20 0.30 0.00 0.00 60 V 7.70 4.16 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 0.24 0.00 0.00 0.95 0.00 0.00 61 S 7.66 3.70 0.00 4.01 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 62 T 7.78 4.64 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 63 L 8.27 4.09 0.00 1.08 0.92 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.36 4.70 0.00 2.94 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 65 P 0.00 3.80 0.00 1.98 1.51 0.00 3.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 66 T 8.55 4.95 4.45 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 1.50 0.00 0.00 67 S 8.68 3.82 0.00 4.16 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 68 T 7.70 3.98 4.31 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 1.29 0.00 0.00 69 D 8.09 4.66 0.00 2.75 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 70 V 7.30 3.45 1.68 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 0.93 0.00 0.00 0.12 0.00 0.00 71 H 8.54 4.26 0.00 3.25 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.15 3.77 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 0.71 0.00 0.00 0.88 0.00 0.00 73 F 8.76 4.35 0.00 2.80 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 74 E 8.32 3.72 0.00 2.06 2.17 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 2.33 2.29 0.00 75 V 7.47 3.84 2.25 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 0.99 0.00 0.00 0.97 0.00 0.00 76 A 8.53 3.90 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.79 3.70 0.00 0.73 1.15 0.84 0.85 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 78 P 0.00 4.17 0.00 2.25 2.23 0.00 3.54 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 79 L 7.40 3.95 0.00 1.62 1.70 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.06 3.65 1.85 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 0.91 0.00 0.00 81 K 8.28 3.90 0.00 1.90 1.86 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 82 D 8.11 4.30 0.00 2.79 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 83 L 7.67 3.97 0.00 1.73 1.72 0.66 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.07 3.69 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 1.12 0.00 0.00 1.10 0.00 0.00 85 A 8.16 4.04 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 86 S 7.92 4.47 0.00 4.03 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 87 S 7.37 4.13 0.00 3.93 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 88 K 8.58 4.14 0.00 1.82 1.71 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.99 7.81 89 D 7.95 4.56 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 90 V 8.04 3.34 1.89 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 0.70 0.00 0.00 0.15 0.00 0.00 91 K 7.96 3.99 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.58 7.81 92 S 8.07 4.14 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.71 3.90 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 1.37 0.00 0.00 94 Y 7.89 4.56 0.00 3.04 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 95 T 7.95 4.06 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 1.19 0.00 0.00 96 T 7.51 3.96 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 0.47 0.00 0.00 97 Y 7.69 4.94 0.00 3.14 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 98 R 8.21 3.99 0.00 1.48 1.87 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 99 H 7.81 4.40 0.00 3.32 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.89 3.88 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 1.14 0.00 0.00 101 L 8.36 4.13 0.00 1.91 1.74 1.08 0.77 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 0.00 102 R 8.00 3.95 0.00 1.97 2.22 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 103 W 8.33 4.26 0.00 3.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 3.63 2.20 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 1.65 0.92 1.05 0.00 0.00 105 D 8.27 4.34 0.00 2.98 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 0.00 106 Y 7.86 3.82 0.00 3.20 3.02 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 0.00 107 M 8.09 3.87 0.00 0.51 0.69 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.74 0.00 108 Q 8.19 3.94 0.00 2.34 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 109 N 7.76 4.22 0.00 2.77 2.73 0.00 0.00 6.50 7.20 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 0.00 110 L 7.72 3.77 0.00 1.31 1.70 0.93 1.18 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 0.00 111 L 7.81 4.32 0.00 1.66 1.68 0.76 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.69 3.74 0.00 2.04 1.99 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 2.21 2.18 0.00 113 V 7.58 3.76 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 0.82 0.00 0.00 1.10 0.00 0.00 114 S 8.54 4.26 0.00 4.09 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 0.00 115 S 8.69 4.05 0.00 3.88 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 0.00 116 T 7.78 4.04 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 0.00 117 D 7.71 4.55 0.00 2.69 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 0.00 118 K 7.47 4.26 0.00 1.94 1.76 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.67 7.81 119 L 8.53 4.18 0.00 1.62 1.61 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.78 3.89 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 121 I 8.32 4.06 1.84 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 1.47 1.12 0.84 0.00 0.00 122 N 8.22 4.56 0.00 2.68 2.50 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.