NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3545 8.2601 123.6118 52.4405 20.3553 176.5998 3 A 4.6365 8.1583 119.3250 52.4567 20.4942 171.4901 4 V 4.4112 7.8884 120.2207 63.1398 33.3980 173.2506 5 T 4.8232 9.2222 118.8096 60.0014 71.6234 173.1917 6 Q 5.3019 8.6770 122.0099 54.2448 32.8650 174.4735 7 S 4.8903 8.5927 115.9802 55.9656 66.5587 172.1532 8 P 4.7284 0.0000 0.0000 61.9389 32.6350 175.9506 9 R 4.1648 8.6129 119.4826 59.3303 31.0104 176.0198 10 N 5.4829 7.9897 113.8681 51.3902 42.6282 174.0608 11 K 4.6449 8.7712 123.4637 54.5389 36.2903 174.9956 12 V 4.7395 8.5119 125.3094 61.3411 33.1619 174.2881 13 A 4.9483 8.9351 130.5613 50.5235 21.5330 175.7726 14 V 4.7666 8.2617 113.3999 59.4783 34.3636 175.7827 15 T 3.9802 8.4636 120.4850 65.8136 69.1484 174.2713 16 G 4.6615 9.6478 117.0113 45.0776 0.0000 173.5324 17 E 4.0486 7.3052 120.2565 56.1386 31.1215 175.9951 18 K 5.2086 8.4440 124.6131 54.1112 33.5215 175.1012 19 V 4.3158 8.1607 127.5893 61.4644 34.2109 174.6342 20 T 4.6827 8.2003 122.9573 61.5128 70.7141 173.3746 21 L 4.2720 8.6319 128.3748 54.3783 42.5490 176.7585 22 S 5.3076 8.4778 116.5522 56.9673 66.3248 172.1485 23 C 5.3425 9.0380 119.7328 55.2856 43.6673 172.4582 24 N 5.7901 9.5400 122.9660 52.1879 41.8914 173.2410 25 Q 5.2081 8.7392 123.4693 54.0159 32.0386 175.2782 26 T 4.6477 8.1737 112.7043 63.1751 71.1852 175.0028 27 N 4.4255 7.9221 118.3191 52.9168 38.5165 174.3488 28 N 4.1267 7.4541 114.5124 54.6027 38.1289 173.6762 29 H 4.7834 7.9606 111.0602 54.8775 30.2141 175.3120 30 N 4.5263 8.6324 119.1696 55.3089 39.2780 175.5481 31 N 4.8765 7.6937 115.2147 52.5236 40.0821 174.6628 32 M 4.9444 8.3126 122.7284 53.7914 36.5115 174.1241 33 Y 5.4786 9.4588 118.4488 56.6028 43.7042 174.5535 34 W 5.2363 9.2716 119.2990 55.7130 32.1911 174.1706 35 Y 5.4508 10.0538 123.5134 56.2246 40.5709 175.1033 36 R 4.9913 9.0113 118.5079 54.4664 32.7104 174.3546 37 Q 4.6131 9.0867 124.4253 55.1610 31.0601 176.3184 38 D 4.5434 9.1467 128.1964 56.0222 40.5307 180.1404 39 T 4.1306 9.1008 118.5309 62.4294 67.9371 175.2509 40 G 4.1257 7.6488 109.8531 47.4446 0.0000 171.5538 41 H 5.0232 7.1215 115.7732 54.9001 29.0437 174.5138 42 E 4.1246 8.7771 127.7028 57.3631 30.1496 176.7582 43 L 4.8368 8.4297 126.4138 54.1158 43.3081 176.1703 44 R 4.8780 8.7785 121.4056 54.0393 33.9429 174.8054 45 L 3.6960 8.4393 125.0685 55.4598 42.9806 176.3438 46 I 3.9922 8.8673 126.7149 62.8429 39.2321 175.1419 47 Y 5.5232 7.7115 117.5459 57.3271 42.6692 173.1377 48 Y 5.7492 8.9259 118.2083 56.5478 42.0880 173.0927 49 S 4.5477 8.7066 114.9973 56.6483 64.9582 174.7860 50 Y 4.3073 8.1055 123.6381 60.3468 38.2013 175.3900 51 G 3.8205 7.6365 106.3237 44.3033 0.0000 171.9903 52 A 4.0164 8.5284 122.2918 54.8612 18.0848 177.8887 53 G 3.9685 8.8142 111.5180 45.1501 0.0000 172.7696 54 S 4.8080 7.6853 114.2054 57.0347 64.5530 174.0201 55 T 4.4238 8.1732 121.7663 62.5766 72.0311 172.8772 56 E 4.6262 9.0977 127.0496 53.8677 32.5060 176.0846 57 K 3.5569 8.8721 124.4478 55.5563 32.6535 176.9866 58 G 4.3246 8.5174 118.1907 46.9427 0.0000 175.0486 59 D 4.8907 9.3407 125.7642 53.8661 41.5083 177.1689 60 I 4.6547 6.9296 110.4254 59.7442 38.2229 172.4016 61 P 4.2071 0.0000 0.0000 64.1762 32.4733 176.9591 62 D 4.2534 8.0900 118.7636 56.5602 41.0077 177.1189 63 G 3.7508 8.8634 112.0887 45.7800 0.0000 171.9003 *65 Y 5.0245 7.3367 115.7417 57.8429 39.2525 174.1411 66 K 4.8627 8.8998 121.8462 54.9645 36.3530 174.4838 67 A 5.0510 7.8076 123.4081 50.8618 22.5508 175.4301 68 S 4.4549 9.1409 113.0322 56.4965 66.3744 173.6414 69 R 4.9032 8.0016 125.3043 54.1227 28.4773 174.0452 70 P 4.2375 0.0000 0.0000 65.1554 32.0449 176.5919 71 S 4.5592 7.2382 111.6587 56.6433 66.2191 173.4749 72 Q 4.0590 8.8800 120.8554 59.0177 28.6126 177.1091 73 E 4.3650 8.0631 113.8089 56.6799 30.9212 174.6320 74 N 5.7908 7.9417 118.0170 51.6395 40.2067 173.9896 75 F 5.6306 9.0213 126.3629 56.3900 42.9329 173.3357 76 S 5.3489 9.7604 121.1941 56.5278 65.5527 172.5137 77 L 4.4795 8.2926 127.1034 53.3455 43.7650 174.9573 78 T 4.8371 8.6609 122.8244 61.6928 72.0313 173.2909 79 L 4.2125 9.3003 127.0753 53.2477 42.2714 176.5710 80 E 3.7504 8.4383 125.8697 58.8443 29.8137 178.0450 81 S 4.9214 7.9994 119.9538 56.1994 64.9625 171.9361 82 A 5.1530 9.3200 129.9858 52.3049 19.2552 176.2797 83 T 4.7867 8.3887 110.4133 59.3358 72.7702 172.8257 84 P 4.2113 0.0000 0.0000 66.1128 31.3937 178.8605 85 S 4.2337 8.0830 110.4551 60.3876 63.0513 174.3483 86 Q 4.5663 8.2037 122.2562 56.0727 29.0552 173.8701 87 T 4.8538 7.6797 111.9449 59.9205 68.9887 174.4631 88 S 4.6245 7.4595 119.4504 58.6089 67.5577 174.9424 89 V 4.2978 7.2328 121.1515 62.0449 32.6251 175.1851 90 Y 4.9983 8.5713 126.5470 57.0719 39.8757 174.6659 91 F 5.2795 10.2114 123.4488 55.8604 42.3903 173.3792 92 C 4.6073 8.9773 123.1377 54.6915 43.5395 172.2346 93 A 5.2534 8.6417 127.9382 50.1386 22.1674 174.6954 94 S 5.1167 8.7383 112.9229 56.6503 67.2496 173.2994 95 G 3.9939 7.9786 105.5229 45.3950 0.0000 174.2802 96 G 3.8854 7.9971 113.6987 44.3030 0.0000 172.3097 97 G 3.9393 8.3308 109.8414 45.9102 0.0000 171.1566 98 G 3.7133 7.7991 111.0369 46.1393 0.0000 173.5899 *105 T 5.0134 7.1200 112.3971 62.7748 71.1279 172.5473 106 L 5.1270 8.3717 121.6102 53.4130 45.3843 175.6902 107 Y 4.6191 9.5854 122.7450 56.5553 39.2931 175.5320 108 F 4.6034 8.9432 123.3751 56.9853 40.5774 176.4406 109 G 4.1718 8.1880 109.9026 44.4937 0.0000 173.4352 110 A 4.0850 8.6461 121.1620 53.3570 18.6439 178.8687 111 G 3.7573 9.1884 100.6464 45.0717 0.0000 172.8168 112 T 4.8997 8.2734 113.9903 60.9190 72.2057 174.2160 113 R 4.4403 8.7337 128.4200 56.1224 29.7748 173.6581 114 L 4.9207 8.7406 128.2444 53.4826 44.0684 174.9447 115 S 5.4979 8.9546 122.2406 55.8661 65.9467 173.6577 116 V 4.4847 8.4288 124.0768 62.2552 32.6933 174.7220 117 L 4.8385 8.9721 127.7150 53.3599 45.7491 176.6851 118 S 4.6707 8.5439 119.0137 57.9527 63.1023 174.0968 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 2 A 8.26 4.35 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 3 A 8.16 4.64 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 4 V 7.89 4.41 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 0.92 0.00 0.00 1.04 0.00 0.00 5 T 9.22 4.82 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 1.25 0.00 0.00 6 Q 8.68 5.30 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 7 S 8.59 4.89 0.00 3.92 3.94 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 8 P 0.00 4.73 0.00 2.36 2.11 0.00 3.80 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 2.00 1.96 0.00 9 R 8.61 4.16 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 10 N 7.99 5.48 0.00 2.59 2.65 0.00 0.00 6.58 7.61 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 11 K 8.77 4.64 0.00 1.78 1.60 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.38 7.81 12 V 8.51 4.74 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 0.91 0.00 0.00 0.94 0.00 0.00 13 A 8.94 4.95 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 14 V 8.26 4.77 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 1.03 0.00 0.00 0.95 0.00 0.00 15 T 8.46 3.98 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 1.25 0.00 0.00 16 G 9.65 4.66 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 17 E 7.31 4.05 0.00 2.02 1.95 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 2.28 2.27 0.00 18 K 8.44 5.21 0.00 1.78 1.63 0.00 1.57 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.46 7.81 19 V 8.16 4.32 1.95 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 0.86 0.00 0.00 0.90 0.00 0.00 20 T 8.20 4.68 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 1.19 0.00 0.00 21 L 8.63 4.27 0.00 0.78 1.41 0.23 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.48 5.31 0.00 4.04 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 23 C 9.04 5.34 0.00 3.16 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 24 N 9.54 5.79 0.00 2.89 2.64 0.00 0.00 6.66 6.76 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 25 Q 8.74 5.21 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 26 T 8.17 4.65 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 27 N 7.92 4.43 0.00 2.30 2.03 0.00 0.00 6.98 7.88 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 28 N 7.45 4.13 0.00 2.81 2.78 0.00 0.00 7.11 7.77 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 29 H 7.96 4.78 0.00 3.09 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.63 4.53 0.00 2.71 3.00 0.00 0.00 6.95 8.00 0.00 0.00 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 N 7.69 4.88 0.00 2.90 2.55 0.00 0.00 6.79 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 32 M 8.31 4.94 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 33 Y 9.46 5.48 0.00 3.04 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 34 W 9.27 5.24 0.00 3.38 3.03 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 35 Y 10.05 5.45 0.00 3.21 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 36 R 9.01 4.99 0.00 1.48 2.11 0.00 2.78 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 37 Q 9.09 4.61 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 38 D 9.15 4.54 0.00 2.70 2.22 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 39 T 9.10 4.13 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 1.18 0.00 0.00 40 G 7.65 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.12 5.02 0.00 3.20 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.78 4.12 0.00 1.98 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 2.31 2.34 0.00 43 L 8.43 4.84 0.00 1.56 1.77 0.62 0.35 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 44 R 8.78 4.88 0.00 1.79 1.80 0.00 3.14 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 45 L 8.44 3.70 0.00 1.02 1.46 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.87 3.99 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.69 0.22 0.00 0.00 47 Y 7.71 5.52 0.00 2.87 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 48 Y 8.93 5.75 0.00 3.23 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 49 S 8.71 4.55 0.00 3.34 2.88 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 50 Y 8.11 4.31 0.00 3.01 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 51 G 7.64 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.53 4.02 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 53 G 8.81 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 0.00 0.00 0.00 54 S 7.69 4.81 0.00 3.89 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 55 T 8.17 4.42 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 1.06 0.00 0.00 56 E 9.10 4.63 0.00 1.16 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 1.63 1.47 0.00 57 K 8.87 3.56 0.00 1.55 1.50 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.88 1.47 7.81 58 G 8.52 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 0.00 0.00 0.00 0.00 59 D 9.34 4.89 0.00 2.48 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 60 I 6.93 4.65 1.86 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 1.46 0.26 0.92 0.00 0.00 61 P 0.00 4.21 0.00 1.78 1.63 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 62 D 8.09 4.25 0.00 2.75 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 63 G 8.86 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 *65 Y 7.34 5.02 0.00 3.15 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 66 K 8.90 4.86 0.00 1.96 1.53 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.21 1.32 7.81 67 A 7.81 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.14 4.45 0.00 3.86 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 69 R 8.00 4.90 0.00 1.31 1.49 0.00 3.29 0.00 0.00 2.60 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 70 P 0.00 4.24 0.00 2.21 2.17 0.00 4.07 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 2.00 1.99 0.00 71 S 7.24 4.56 0.00 3.94 3.85 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 72 Q 8.88 4.06 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 73 E 8.06 4.36 0.00 2.33 2.38 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 2.32 2.35 0.00 74 N 7.94 5.79 0.00 2.78 2.87 0.00 0.00 6.57 7.52 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 75 F 9.02 5.63 0.00 3.02 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 76 S 9.76 5.35 0.00 3.91 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 77 L 8.29 4.48 0.00 0.27 0.13 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.66 4.84 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 1.11 0.00 0.00 79 L 9.30 4.21 0.00 1.40 1.38 0.57 0.51 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 80 E 8.44 3.75 0.00 2.09 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 2.31 2.30 0.00 81 S 8.00 4.92 0.00 3.83 3.62 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 82 A 9.32 5.15 1.25 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 83 T 8.39 4.79 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 1.25 0.00 0.00 84 P 0.00 4.21 0.00 2.20 2.17 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 S 8.08 4.23 0.00 4.00 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 86 Q 8.20 4.57 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 87 T 7.68 4.85 4.30 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 1.25 0.00 0.00 88 S 7.46 4.62 0.00 4.02 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 89 V 7.23 4.30 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.91 0.00 0.00 90 Y 8.57 5.00 0.00 3.22 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 91 F 10.21 5.28 0.00 3.20 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 92 C 8.98 4.61 0.00 1.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 5.25 0.49 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 0.00 0.00 94 S 8.74 5.12 0.00 3.89 3.93 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 95 G 7.98 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 96 G 8.00 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 97 G 8.33 3.94 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 0.00 0.00 0.00 98 G 7.80 3.71 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 0.00 0.00 0.00 *105 T 7.12 5.01 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 106 L 8.37 5.13 0.00 1.31 0.97 0.75 0.18 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 0.00 107 Y 9.59 4.62 0.00 2.78 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 0.00 108 F 8.94 4.60 0.00 2.79 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 0.00 109 G 8.19 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 0.00 0.00 0.00 0.00 110 A 8.65 4.08 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 0.00 111 G 9.19 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 0.00 112 T 8.27 4.90 4.41 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 1.39 0.00 0.00 113 R 8.73 4.44 0.00 2.00 1.90 0.00 3.32 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 114 L 8.74 4.92 0.00 1.91 1.83 0.90 1.15 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 0.00 115 S 8.95 5.50 0.00 3.77 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 0.00 116 V 8.43 4.48 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 0.76 0.00 0.00 1.04 0.00 0.00 117 L 8.97 4.84 0.00 1.73 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.54 4.67 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.