NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.3179 8.0093 121.0266 60.7889 40.4698 175.5717 2 V 4.2809 7.3425 120.4937 59.1254 34.9081 168.7642 3 V 4.8024 9.0340 124.1956 61.4064 34.1974 175.2392 4 Y 5.1769 8.9159 125.4313 56.6802 40.7086 174.8672 5 T 5.4511 8.3429 111.7326 60.1092 72.3686 172.9381 6 D 4.7126 8.6785 121.6312 53.8941 42.1863 177.0486 7 R 4.2393 8.5746 121.4208 59.2598 31.0176 175.9328 8 E 5.3518 7.9375 114.7684 54.9128 34.1109 175.2587 9 V 4.4095 8.9404 114.3648 59.9658 36.2232 173.9832 10 Y 5.9127 8.6728 121.5902 56.5807 40.3511 175.3011 11 G 4.4296 9.5115 109.3536 44.5815 0.0000 171.1901 12 A 5.1635 8.4298 122.4552 49.8896 21.2634 177.2393 13 V 3.5861 7.7947 120.5013 64.1847 31.9877 176.8636 14 G 3.8457 9.0693 113.9569 45.8455 0.0000 172.8106 15 S 5.0568 7.6023 115.2713 56.2571 65.6614 172.2160 16 Q 5.1759 8.4923 116.4397 54.5650 31.9198 174.9775 17 V 4.4319 8.2963 118.1530 60.4285 35.1530 173.5466 18 T 4.5700 8.3264 117.8718 60.6030 68.9618 173.7773 19 L 4.3187 8.1986 129.4610 53.2928 42.2532 175.2921 20 H 4.9337 8.5858 124.6614 55.7581 31.4914 174.5608 21 C 5.7968 8.5770 123.8471 55.7017 47.5778 172.5419 22 S 5.3911 8.6517 118.9000 57.6283 66.1390 172.5331 23 F 5.4812 9.1093 121.8040 56.5280 42.5988 173.4681 24 W 5.0077 7.9968 132.1996 55.7597 34.4914 173.6668 25 S 3.9593 6.6641 118.2254 56.1569 64.4840 174.2729 26 S 3.5892 7.8866 119.9229 59.8301 63.2939 173.8420 27 E 4.6317 6.9266 119.7776 53.5017 31.6864 175.4187 28 W 4.1599 8.5277 130.3289 57.7041 31.2741 175.5861 29 V 3.8347 6.7536 123.5905 60.5422 33.8897 175.0293 30 S 3.6973 7.4223 121.4592 57.9245 63.5875 173.1964 31 D 4.6634 8.3809 118.3005 53.7121 39.3979 177.2768 32 D 4.6586 7.3681 121.9325 53.1298 39.4686 175.0307 33 I 4.8201 7.3451 114.3758 58.4900 41.4241 175.7623 34 S 5.5525 8.4302 117.1931 55.6820 66.4684 172.6751 35 F 5.3810 8.7352 119.2185 56.1464 42.5616 174.0984 36 T 5.2435 8.8573 119.3149 61.6883 72.4128 172.7226 37 W 5.5696 9.6786 126.5891 55.2707 31.4483 175.3636 38 R 5.3922 9.3592 123.4434 54.5763 33.4410 174.0818 39 Y 4.9355 9.3394 122.9582 55.7721 41.9641 174.0158 40 Q 4.6808 8.2743 127.0915 52.0684 31.7230 172.8854 41 P 4.1073 0.0000 0.0000 62.0873 32.9027 175.4841 42 E 3.8747 8.2043 122.2202 58.2597 29.6948 177.4928 43 G 3.8638 9.1311 113.8071 45.4501 0.0000 172.4958 44 G 4.0973 7.8857 108.1720 43.8173 0.0000 173.6855 45 R 4.7263 8.1092 113.7881 54.3498 31.5589 175.2062 46 D 4.7448 7.9046 119.1827 53.1610 42.6632 175.1879 47 A 4.8507 8.6066 125.5792 50.5851 20.3062 175.6766 48 I 4.3643 8.6125 123.6545 60.7217 39.1988 175.7229 49 S 4.9782 8.8486 122.3860 58.4721 62.7048 173.4429 50 I 4.7103 9.5431 119.6579 61.1317 40.1102 174.8728 51 F 5.3558 8.1926 123.8116 57.5256 43.0080 172.1360 52 H 5.3522 8.1122 123.9220 54.7711 33.7722 171.2617 53 Y 4.7697 8.5553 125.0408 55.8418 42.0343 173.7415 54 A 4.4224 8.4064 125.2291 51.3253 23.4179 175.8932 55 K 3.7526 9.6704 117.2551 57.5351 29.7848 176.6012 56 G 4.1521 8.2653 103.8427 45.5706 0.0000 173.6306 57 Q 4.1636 7.3695 119.9983 52.9528 30.8706 172.7756 58 P 4.5802 0.0000 0.0000 61.6897 33.3972 174.7873 59 Y 4.5892 8.2446 119.3036 56.4173 41.3382 174.2439 60 I 4.9533 8.5485 127.4985 59.9159 39.6559 176.0774 61 D 4.6096 8.8119 127.8745 53.9123 40.2018 173.9941 62 E 4.6941 8.9739 121.1306 55.2558 30.3508 176.7804 63 V 4.3003 7.8613 118.6260 61.5791 34.0228 175.7971 64 G 4.1570 7.6131 110.0767 44.4669 0.0000 173.3832 65 T 3.5977 8.6312 112.8797 64.5812 67.5083 175.8074 66 F 4.7949 7.8538 118.1191 56.5831 39.4733 175.0669 67 K 4.4152 7.7085 120.7272 58.4802 32.5427 176.7997 68 E 3.9248 9.1328 119.8489 57.1489 26.9264 174.5246 69 R 4.8283 8.3127 116.1109 55.7062 32.8497 174.2729 70 I 4.9386 8.0391 119.2651 59.4964 40.1108 174.7321 71 Q 4.5889 8.5630 127.0137 53.8960 32.1840 173.7455 72 W 4.6103 8.9168 135.0000 56.8476 31.3654 175.8024 73 V 3.9187 7.7312 119.1082 60.7749 33.1227 176.1132 74 G 2.7255 5.3800 110.4360 44.0571 0.0000 173.2951 75 D 4.3897 8.0808 118.6387 52.3347 42.7951 173.8590 76 P 4.6195 0.0000 0.0000 65.8369 31.7106 179.2685 77 S 4.3219 8.5027 113.6591 61.0370 62.1643 175.1278 78 W 4.7102 8.8502 118.4675 55.6908 29.2207 176.4223 79 K 4.3399 8.2707 117.0283 57.6891 29.9665 173.7384 80 D 5.2968 7.8636 118.3448 51.9921 43.5883 176.3722 81 G 3.4273 8.1834 114.4057 45.5966 0.0000 173.2198 82 S 4.7977 8.1696 116.0026 58.3569 64.2822 173.7897 83 I 4.8105 7.9732 121.7260 59.5635 42.0771 174.1840 84 V 4.3947 8.1611 123.1422 61.1324 34.4473 174.2393 85 I 4.4805 8.0354 128.4111 60.2086 38.5675 174.7924 86 H 4.8379 9.0614 124.9303 53.9524 30.6674 174.5473 87 N 4.0622 8.5419 116.6247 54.1273 37.1407 174.2510 88 L 4.2817 8.2707 119.8082 55.4799 43.1366 176.7726 89 D 5.0398 9.1092 120.3477 52.2113 44.3116 175.9273 90 Y 4.2089 8.6498 121.9856 61.4467 37.9261 178.6618 91 S 4.3294 8.1309 110.9199 59.5119 63.3161 174.8417 92 D 4.6293 8.1853 121.3287 56.5094 41.1930 176.2681 93 N 4.7133 6.9119 116.5871 52.1906 39.9492 175.0865 94 G 4.2478 7.7455 107.6907 46.8946 0.0000 170.2394 95 T 5.2188 7.7625 116.3999 61.7179 71.1965 173.8708 96 F 5.4639 9.5269 125.1421 56.1468 42.0123 174.7341 97 T 5.1552 9.4084 119.6979 61.9685 71.9255 171.9707 98 C 4.3686 8.9529 126.9370 54.6891 41.7225 171.5758 99 D 5.3148 8.7023 126.1329 52.5671 43.3640 174.4769 100 V 4.3503 8.6362 126.9122 61.1274 33.6242 174.6894 101 K 4.7971 8.4458 126.1156 54.8434 35.7839 176.5650 102 N 4.4028 8.5972 118.0232 53.5350 40.8848 175.7090 *107 V 3.7682 7.6484 116.5952 61.3571 32.4630 175.1504 108 G 4.2970 8.2430 111.4477 43.8218 0.0000 171.9395 109 K 4.9262 8.4290 118.5089 54.6744 35.1435 176.0177 110 T 5.6554 8.3751 113.2665 59.3947 72.2234 172.9176 111 S 4.8201 8.2473 115.1289 57.1652 65.8696 172.6667 112 Q 5.5472 8.7758 123.3154 54.4985 31.9052 174.8089 113 V 4.8874 8.9769 118.6690 60.6311 35.2280 173.9898 114 T 5.0076 8.8672 120.4359 61.9400 70.9359 173.1089 115 L 5.1442 8.9950 128.3191 53.6604 44.6666 174.5933 116 Y 5.0146 8.9427 122.8007 56.3067 41.5819 174.6053 117 V 5.3523 8.3175 116.9114 59.2592 34.1531 175.3289 118 F 5.2431 8.5657 126.2164 57.9877 43.0856 176.0238 119 E 4.2685 9.3399 116.2978 57.5351 29.5008 170.6111 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 1 I 8.01 4.32 1.77 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.69 0.00 0.00 2 V 7.34 4.28 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 0.43 0.00 0.00 0.48 0.00 0.00 3 V 9.03 4.80 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 0.87 0.00 0.00 1.11 0.00 0.00 4 Y 8.92 5.18 0.00 3.07 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 5 T 8.34 5.45 4.44 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 1.36 0.00 0.00 6 D 8.68 4.71 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.57 4.24 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 8 E 7.94 5.35 0.00 1.73 1.91 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 2.40 2.43 0.00 9 V 8.94 4.41 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 0.69 0.00 0.00 0.94 0.00 0.00 10 Y 8.67 5.91 0.00 2.98 3.12 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 11 G 9.51 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 0.00 0.00 0.00 0.00 12 A 8.43 5.16 1.27 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 0.00 0.00 13 V 7.79 3.59 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 0.61 0.00 0.00 -0.04 0.00 0.00 14 G 9.07 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 0.00 0.00 0.00 15 S 7.60 5.06 0.00 3.91 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 16 Q 8.49 5.18 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 17 V 8.30 4.43 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 0.51 0.00 0.00 0.84 0.00 0.00 18 T 8.33 4.57 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 1.07 0.00 0.00 19 L 8.20 4.32 0.00 0.75 0.93 -0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.59 4.93 0.00 3.26 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.58 5.80 0.00 3.04 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 22 S 8.65 5.39 0.00 4.20 3.98 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 23 F 9.11 5.48 0.00 3.12 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 24 W 8.00 5.01 0.00 3.46 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 25 S 6.66 3.96 0.00 3.44 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 26 S 7.89 3.59 0.00 3.99 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 27 E 6.93 4.63 0.00 2.13 1.91 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 2.25 2.08 0.00 28 W 8.53 4.16 0.00 3.20 3.11 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 29 V 6.75 3.83 1.88 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 0.67 0.00 0.00 0.89 0.00 0.00 30 S 7.42 3.70 0.00 4.04 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 31 D 8.38 4.66 0.00 2.90 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 32 D 7.37 4.66 0.00 2.65 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 33 I 7.35 4.82 1.39 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 1.37 0.50 0.74 0.00 0.00 34 S 8.43 5.55 0.00 3.91 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 35 F 8.74 5.38 0.00 3.17 3.04 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 36 T 8.86 5.24 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 1.34 0.00 0.00 37 W 9.68 5.57 0.00 3.55 3.24 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 38 R 9.36 5.39 0.00 1.88 1.90 0.00 3.12 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 39 Y 9.34 4.94 0.00 2.84 2.84 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 40 Q 8.27 4.68 0.00 1.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 41 P 0.00 4.11 0.00 2.09 2.14 0.00 3.47 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 42 E 8.20 3.87 0.00 2.13 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 2.36 2.32 0.00 43 G 9.13 3.86 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 0.00 0.00 0.00 44 G 7.89 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 45 R 8.11 4.73 0.00 1.74 1.89 0.00 3.24 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 46 D 7.90 4.74 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.85 1.24 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 48 I 8.61 4.36 2.04 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 1.16 1.01 1.01 0.00 0.00 49 S 8.85 4.98 0.00 3.96 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 50 I 9.54 4.71 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 1.21 0.00 0.00 51 F 8.19 5.36 0.00 3.32 3.20 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 52 H 8.11 5.35 0.00 3.10 2.98 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.56 4.77 0.00 2.71 2.80 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 54 A 8.41 4.42 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 55 K 9.67 3.75 0.00 1.80 1.83 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.34 7.81 56 G 8.27 4.15 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 0.00 0.00 0.00 57 Q 7.37 4.16 0.00 1.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 58 P 0.00 4.58 0.00 1.97 1.72 0.00 3.08 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 59 Y 8.24 4.59 0.00 2.68 2.74 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 0.00 0.00 0.00 60 I 8.55 4.95 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 1.07 0.00 0.00 61 D 8.81 4.61 0.00 2.50 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 4.69 0.00 1.95 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 2.26 2.47 0.00 63 V 7.86 4.30 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 0.77 0.00 0.00 0.95 0.00 0.00 64 G 7.61 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 0.00 0.00 0.00 0.00 65 T 8.63 3.60 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 1.00 0.00 0.00 66 F 7.85 4.79 0.00 3.10 2.96 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 67 K 7.71 4.42 0.00 1.93 1.92 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.43 7.81 68 E 9.13 3.92 0.00 2.18 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 2.21 2.34 0.00 69 R 8.31 4.83 0.00 2.01 2.09 0.00 3.37 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 70 I 8.04 4.94 1.97 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 1.16 0.79 0.89 0.00 0.00 71 Q 8.56 4.59 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 72 W 8.92 4.61 0.00 3.27 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 73 V 7.73 3.92 1.75 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 0.52 0.00 0.00 0.63 0.00 0.00 74 G 5.38 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 0.00 0.00 0.00 75 D 8.08 4.39 0.00 2.30 2.31 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 76 P 0.00 4.62 0.00 2.45 2.36 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 77 S 8.50 4.32 0.00 4.50 4.22 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 78 W 8.85 4.71 0.00 3.49 3.32 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 79 K 8.27 4.34 0.00 2.25 2.33 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.50 7.81 80 D 7.86 5.30 0.00 2.96 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 0.00 0.00 0.00 81 G 8.18 3.43 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 0.00 82 S 8.17 4.80 0.00 3.52 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 83 I 7.97 4.81 1.21 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.46 0.37 0.00 0.00 84 V 8.16 4.39 1.88 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 0.62 0.00 0.00 0.73 0.00 0.00 85 I 8.04 4.48 1.51 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.15 0.69 0.00 0.00 86 H 9.06 4.84 0.00 3.00 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.54 4.06 0.00 2.79 2.80 0.00 0.00 7.02 7.78 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 88 L 8.27 4.28 0.00 1.92 1.55 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.11 5.04 0.00 2.66 2.53 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 90 Y 8.65 4.21 0.00 3.09 2.97 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 91 S 8.13 4.33 0.00 4.02 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 92 D 8.19 4.63 0.00 2.95 3.11 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 93 N 6.91 4.71 0.00 2.73 2.82 0.00 0.00 7.02 7.51 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 94 G 7.75 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 95 T 7.76 5.22 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 96 F 9.53 5.46 0.00 3.21 3.32 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 97 T 9.41 5.16 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 1.29 0.00 0.00 98 C 8.95 4.37 0.00 1.23 2.43 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 99 D 8.70 5.31 0.00 2.72 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 0.00 100 V 8.64 4.35 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 0.31 0.00 0.00 0.96 0.00 0.00 101 K 8.45 4.80 0.00 1.59 1.52 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.29 7.81 102 N 8.60 4.40 0.00 2.55 2.69 0.00 0.00 6.93 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 *107 V 7.65 3.77 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 0.68 0.00 0.00 0.91 0.00 0.00 108 G 8.24 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 0.00 0.00 0.00 0.00 109 K 8.43 4.93 0.00 1.71 1.70 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.38 7.81 110 T 8.38 5.66 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 1.19 0.00 0.00 111 S 8.25 4.82 0.00 3.89 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 0.00 112 Q 8.78 5.55 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 113 V 8.98 4.89 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 1.22 0.00 0.00 1.03 0.00 0.00 114 T 8.87 5.01 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 0.85 0.00 0.00 115 L 8.99 5.14 0.00 1.86 1.76 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.94 5.01 0.00 3.21 2.35 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 0.00 117 V 8.32 5.35 1.98 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 0.94 0.00 0.00 0.75 0.00 0.00 118 F 8.57 5.24 0.00 3.01 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 0.00 119 E 9.34 4.27 0.00 2.09 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.