NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4103 8.3344 115.2887 57.7459 63.5933 173.3412 2 N 4.3499 8.8894 124.3017 55.4799 38.8353 169.7883 3 V 4.3252 8.2557 118.1709 59.7499 33.5174 171.6665 4 P 4.0916 0.0000 0.0000 62.3158 31.8296 177.7811 5 A 4.1262 8.5148 124.8872 54.7850 18.5077 178.3280 6 E 4.2973 7.9153 111.2934 57.0638 30.4684 176.4263 7 L 4.3348 7.1991 118.7865 54.5104 42.9112 176.2728 8 K 4.9184 8.2545 119.1993 55.4146 35.0922 175.2715 9 Y 5.0985 8.8047 118.5402 56.5184 42.8605 174.1748 10 S 5.1771 8.9634 116.7530 55.8954 65.6486 174.7947 11 K 4.3418 8.7362 122.4779 57.9008 31.9848 177.1347 12 E 4.3838 8.3185 117.5554 56.5177 29.9566 175.6281 13 H 4.3176 8.3697 115.7211 57.5122 26.7085 173.8959 14 E 5.3264 8.0161 116.9091 54.2745 33.3096 175.8528 15 W 4.9869 8.1932 119.0292 54.7596 31.6694 174.6508 16 L 5.1859 9.1008 120.8072 53.0096 45.2344 175.3646 17 R 4.9289 9.3386 124.3526 54.1175 32.5090 174.6557 18 K 3.6041 8.8157 128.6275 56.4289 32.7402 176.3656 19 E 4.3498 8.5303 127.5566 54.8038 30.9139 176.4154 20 A 4.0320 8.5132 123.2483 55.4621 18.4385 178.5534 21 D 4.6125 7.8954 113.2638 53.5896 39.7624 176.3932 22 G 4.1293 7.8010 112.5336 46.4388 0.0000 174.7858 23 T 4.2750 7.3219 108.4700 61.9263 70.5026 172.8404 24 Y 5.0949 9.1273 119.1580 56.4583 41.2551 175.4622 25 T 4.5356 8.7717 121.0522 62.9206 70.4330 173.9654 26 V 4.3396 8.0521 125.2730 59.9486 34.8928 174.8104 27 G 3.6968 5.6598 112.5699 45.1811 0.0000 171.0744 28 I 4.9788 8.1868 113.1161 59.4750 40.0608 175.6483 29 T 4.4535 8.5896 113.6955 60.6258 70.2893 175.4268 30 E 3.8501 8.9082 122.2670 59.7907 29.5445 178.1786 31 H 4.1295 8.6102 117.3413 59.5671 29.9908 176.8546 32 A 4.0255 8.2912 122.6091 55.0932 18.1119 179.6101 33 Q 3.9703 8.3900 116.4618 59.0477 28.4889 178.0718 34 E 3.8833 7.9381 120.6365 59.4607 29.7461 178.7391 35 L 4.0892 7.4996 116.9703 57.5550 41.6804 178.9465 36 L 4.1363 7.7287 119.6817 57.0593 42.4869 177.5716 37 G 3.7857 8.3028 105.4840 44.1379 0.0000 171.8104 38 D 4.5053 8.4793 118.2383 54.7927 41.1940 175.2567 39 M 4.7397 8.9627 124.6535 54.9613 33.0008 175.9075 40 V 4.4758 8.4122 118.0180 61.4808 34.4447 175.7603 41 F 5.0442 7.8659 121.8555 56.9158 42.8073 172.8634 42 V 4.2799 7.7763 125.0886 59.7673 33.8887 174.9802 43 D 4.2077 8.2461 125.8126 52.4805 40.9656 175.5333 44 L 4.4223 7.9899 125.0387 53.3818 42.5941 175.1779 45 P 4.5144 0.0000 0.0000 62.2443 32.6420 175.5293 46 E 4.1811 8.4204 120.3217 55.2196 30.1500 176.7355 47 V 3.8513 8.2543 124.0183 64.5523 31.9481 176.1743 48 G 3.9830 9.6783 116.2670 44.6625 0.0000 173.7089 49 A 4.2537 7.6352 121.3397 52.3220 19.6945 176.4675 50 T 4.9928 8.3025 115.7716 62.1235 70.8955 174.6019 51 V 4.7054 8.6528 117.1322 59.9092 36.7349 174.3774 52 S 5.1523 8.9609 118.4361 56.3653 65.6844 173.5991 53 A 4.1696 8.0414 125.6252 53.8939 18.2759 178.1622 54 G 4.0453 9.4151 112.9641 44.9735 0.0000 173.6630 55 D 4.5215 8.4231 120.5032 54.5162 42.2025 175.7393 56 D 4.6901 8.8187 122.4042 53.9903 40.3873 174.9806 57 C 4.6893 8.8235 120.6451 58.0606 32.2500 173.2189 58 A 4.6455 7.4132 119.9481 50.6478 23.0097 174.8944 59 V 4.6425 8.3005 118.2228 61.0915 34.5373 174.2169 60 A 4.5994 9.1949 131.0536 50.8703 20.4251 175.4354 61 E 5.1883 9.2599 123.8678 55.1026 31.6862 176.5665 62 S 5.3895 8.6097 120.9015 55.6123 65.6425 175.4989 63 V 3.5181 8.2193 114.9609 64.0962 30.6693 175.1789 *65 A 4.0843 7.7591 120.3768 51.4890 19.4690 175.7343 66 A 5.0410 8.3298 121.3210 51.0954 20.1782 177.2061 67 S 4.7524 9.5951 117.6391 56.3943 66.4204 173.2463 68 D 4.7616 8.7663 122.6847 54.2342 41.8406 175.5117 69 I 4.3624 8.4726 123.8252 59.8142 39.4906 174.1159 70 Y 5.1410 8.0250 124.5722 56.0023 39.7357 175.5181 71 A 4.3348 8.8497 126.4206 51.8486 18.8946 176.6252 72 P 4.3766 0.0000 0.0000 64.6807 32.1257 176.3505 73 V 4.5514 7.2247 110.5224 60.0816 35.9240 174.0489 74 S 4.7458 10.1557 118.4569 57.2615 64.3502 175.6182 75 G 4.0749 7.0318 108.7023 46.0542 0.0000 170.1037 76 E 5.0583 8.3050 121.8389 54.3553 32.6519 176.9989 77 I 4.4563 8.3938 127.7238 61.3730 36.8459 176.7908 78 V 3.4712 8.5793 120.9520 63.0519 32.3684 176.5718 79 A 4.7584 7.8958 120.2090 51.0005 22.2915 175.5900 80 V 4.8281 8.5158 113.1701 59.5955 35.4935 175.5744 81 N 4.0488 8.1160 121.8977 52.3655 38.3884 175.4599 82 D 4.3860 8.5651 127.0030 56.5179 40.9946 178.0646 83 A 4.0962 8.0252 121.1840 54.3954 18.0993 179.2996 84 L 4.0430 7.4873 116.7571 57.3658 41.6498 178.6180 85 S 4.2766 7.7990 114.8514 60.7397 62.9324 174.8368 86 D 4.8678 8.0234 117.2643 54.2047 43.6856 176.3930 87 S 5.2481 8.3116 114.6136 55.4674 62.9524 173.2328 88 P 4.3491 0.0000 0.0000 64.9859 31.6279 178.0689 89 E 4.1919 8.2853 117.4289 59.2309 29.1434 178.8422 90 L 4.1561 7.8650 121.5508 57.0670 41.6613 179.3465 91 V 3.6658 7.7372 118.2510 65.6742 31.1097 177.8797 92 N 4.8997 8.0992 116.7281 55.5397 38.8749 177.0563 93 S 4.4465 8.2859 115.5281 59.8965 64.7523 173.6639 94 E 4.9497 8.4236 121.4454 53.6400 29.8103 174.2172 95 P 4.4998 0.0000 0.0000 64.7645 31.8721 177.7423 96 Y 3.8286 7.6415 113.0557 57.2051 40.3062 174.9211 97 A 4.6365 8.1024 121.0334 52.2721 18.7925 178.9084 98 G 3.8888 6.7194 114.5009 47.9126 0.0000 175.2391 99 G 3.7886 8.5711 108.2712 45.7395 0.0000 174.0633 100 W 4.5367 8.0434 117.4541 57.5310 28.7916 175.3031 101 I 4.1691 9.0224 120.8033 62.5265 39.0097 175.4092 102 F 5.6370 7.5930 114.3686 55.6989 42.0204 172.6889 103 K 5.1423 9.7772 118.3452 54.6513 35.7765 175.4811 104 I 5.0814 8.9842 123.7208 59.2262 41.7344 174.0580 105 K 4.7094 9.6967 131.8063 55.5592 32.4780 175.3874 106 A 4.8056 8.7115 130.2006 51.8018 19.0383 176.8951 107 S 4.6534 8.8283 115.6469 58.0215 64.3374 173.9209 108 D 4.5491 7.8384 120.0480 51.7507 42.9026 174.8643 109 E 3.9635 9.0521 128.3534 59.5150 29.6055 178.6537 110 S 4.5765 7.9473 114.8848 60.9083 62.5059 175.8279 111 E 4.0809 7.7401 123.1978 58.6771 29.0800 179.2682 112 L 3.8862 7.3892 117.0888 58.1420 41.9158 179.3747 113 E 4.1740 8.0849 117.9864 58.8186 29.3288 178.5913 114 S 4.4540 8.0901 112.7144 58.3953 63.6054 173.9899 115 L 4.2458 6.9236 122.6033 54.8039 42.3256 177.0275 116 L 4.3854 8.7584 123.5466 54.8388 43.1026 177.0259 117 D 5.0346 8.7552 122.8590 52.5245 41.7064 176.8361 118 A 3.9613 9.1102 119.7502 55.8835 18.2798 179.6917 119 T 3.8045 7.9841 107.0638 65.0651 68.5992 176.1238 120 A 4.0216 8.5288 123.5554 54.8186 18.3164 179.1044 121 Y 3.9601 8.0309 118.1840 60.8777 38.9038 177.6053 122 E 3.7440 8.5628 120.2597 58.8288 29.5647 178.2794 123 A 4.1308 7.7770 120.0348 54.0226 18.7417 179.1251 124 L 3.8313 7.2128 118.5621 58.1542 41.9672 179.0012 125 L 3.8502 7.5525 118.9264 57.7740 41.3877 179.0465 126 E 3.8386 7.6930 117.3883 59.7245 29.4841 179.1219 127 D 4.3933 7.9182 116.7924 57.3858 41.5009 175.8596 128 E 4.1086 7.5435 121.3933 56.9595 29.6025 177.0503 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 S 8.33 4.41 0.00 3.81 3.74 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 2 N 8.89 4.35 0.00 2.85 2.90 0.00 0.00 6.70 6.83 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 3 V 8.26 4.33 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 0.57 0.00 0.00 1.08 0.00 0.00 4 P 0.00 4.09 0.00 1.84 1.63 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.22 0.00 5 A 8.51 4.13 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 6 E 7.92 4.30 0.00 2.06 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 0.00 2.18 2.21 0.00 7 L 7.20 4.33 0.00 1.25 1.15 0.29 0.78 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 8 K 8.25 4.92 0.00 1.62 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 9 Y 8.80 5.10 0.00 3.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.96 5.18 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.74 4.34 0.00 1.90 1.95 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 12 E 8.32 4.38 0.00 2.06 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 0.00 2.33 2.48 0.00 13 H 8.37 4.32 0.00 3.54 3.64 0.00 5.56 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.02 5.33 0.00 1.82 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 0.00 2.31 2.30 0.00 15 W 8.19 4.99 0.00 3.06 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 16 L 9.10 5.19 0.00 1.48 1.60 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17 R 9.34 4.93 0.00 2.08 2.00 0.00 3.05 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 18 K 8.82 3.60 0.00 1.57 1.54 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 0.52 7.81 19 E 8.53 4.35 0.00 1.82 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 2.29 2.24 0.00 20 A 8.51 4.03 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 21 D 7.90 4.61 0.00 2.75 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 22 G 7.80 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 23 T 7.32 4.27 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 1.27 0.00 0.00 24 Y 9.13 5.09 0.00 2.77 2.78 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 25 T 8.77 4.54 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 0.94 0.00 0.00 26 V 8.05 4.34 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 0.01 0.00 0.00 0.45 0.00 0.00 27 G 5.66 3.70 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 0.00 0.00 0.00 28 I 8.19 4.98 1.93 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 1.40 0.73 0.90 0.00 0.00 29 T 8.59 4.45 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 1.43 0.00 0.00 30 E 8.91 3.85 0.00 2.24 2.45 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 2.45 2.51 0.00 31 H 8.61 4.13 0.00 3.41 3.56 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.29 4.03 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 33 Q 8.39 3.97 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 34 E 7.94 3.88 0.00 2.30 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 2.46 2.54 0.00 35 L 7.50 4.09 0.00 1.76 1.68 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.73 4.14 0.00 1.66 1.81 0.93 1.10 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 37 G 8.30 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.48 4.51 0.00 2.73 2.63 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 0.00 0.00 0.00 0.00 39 M 8.96 4.74 0.00 2.12 1.94 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 2.64 2.58 0.00 40 V 8.41 4.48 2.12 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 0.73 0.00 0.00 0.96 0.00 0.00 41 F 7.87 5.04 0.00 3.04 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 42 V 7.78 4.28 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 0.55 0.00 0.00 0.72 0.00 0.00 43 D 8.25 4.21 0.00 2.51 2.47 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 44 L 7.99 4.42 0.00 1.46 1.48 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.51 0.00 1.74 1.76 0.00 2.99 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 46 E 8.42 4.18 0.00 1.96 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 0.00 2.34 2.20 0.00 47 V 8.25 3.85 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 0.85 0.00 0.00 0.97 0.00 0.00 48 G 9.68 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 0.00 0.00 0.00 49 A 7.64 4.25 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 50 T 8.30 4.99 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 1.27 0.00 0.00 51 V 8.65 4.71 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 0.66 0.00 0.00 0.98 0.00 0.00 52 S 8.96 5.15 0.00 3.77 3.74 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 53 A 8.04 4.17 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 54 G 9.42 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.42 4.52 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 56 D 8.82 4.69 0.00 2.76 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 57 C 8.82 4.69 0.00 2.78 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 58 A 7.41 4.65 1.08 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 0.00 0.00 59 V 8.30 4.64 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 1.05 0.00 0.00 0.94 0.00 0.00 60 A 9.19 4.60 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 61 E 9.26 5.19 0.00 2.27 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 0.00 2.34 2.49 0.00 62 S 8.61 5.39 0.00 3.94 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 63 V 8.22 3.52 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 0.80 0.00 0.00 0.94 0.00 0.00 *65 A 7.76 4.08 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 66 A 8.33 5.04 1.26 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 0.00 0.00 0.00 67 S 9.60 4.75 0.00 3.78 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 68 D 8.77 4.76 0.00 2.40 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 0.00 0.00 0.00 69 I 8.47 4.36 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 1.03 0.00 0.00 70 Y 8.02 5.14 0.00 2.76 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 71 A 8.85 4.33 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 72 P 0.00 4.38 0.00 2.15 2.40 0.00 3.96 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 73 V 7.22 4.55 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 0.58 0.00 0.00 0.89 0.00 0.00 74 S 10.16 4.75 0.00 3.85 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 75 G 7.03 4.07 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 0.00 0.00 0.00 76 E 8.30 5.06 0.00 1.99 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 2.26 0.00 77 I 8.39 4.46 1.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.91 0.00 0.00 78 V 8.58 3.47 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 0.70 0.00 0.00 0.97 0.00 0.00 79 A 7.90 4.76 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 80 V 8.52 4.83 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 0.81 0.00 0.00 0.97 0.00 0.00 81 N 8.12 4.05 0.00 1.44 1.82 0.00 0.00 7.54 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.57 4.39 0.00 2.79 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 83 A 8.03 4.10 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 84 L 7.49 4.04 0.00 1.56 1.59 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.80 4.28 0.00 3.96 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 86 D 8.02 4.87 0.00 2.62 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 0.00 0.00 0.00 87 S 8.31 5.25 0.00 3.91 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 88 P 0.00 4.35 0.00 2.24 2.37 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 89 E 8.29 4.19 0.00 2.18 2.27 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 2.37 2.36 0.00 90 L 7.87 4.16 0.00 1.77 1.76 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.74 3.67 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 1.02 0.00 0.00 0.92 0.00 0.00 92 N 8.10 4.90 0.00 2.84 2.91 0.00 0.00 7.31 7.57 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 93 S 8.29 4.45 0.00 4.06 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 94 E 8.42 4.95 0.00 2.09 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 0.00 2.25 2.25 0.00 95 P 0.00 4.50 0.00 1.69 2.18 0.00 3.33 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 96 Y 7.64 3.83 0.00 2.78 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 0.00 0.00 0.00 97 A 8.10 4.64 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 98 G 6.72 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 99 G 8.57 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.04 4.54 0.00 3.59 3.52 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 0.00 0.00 0.00 0.00 101 I 9.02 4.17 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.02 0.99 0.00 0.00 102 F 7.59 5.64 0.00 3.24 3.08 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 0.00 103 K 9.78 5.14 0.00 1.71 1.69 0.00 1.40 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.30 1.45 7.81 104 I 8.98 5.08 2.22 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 1.22 1.25 1.00 0.00 0.00 105 K 9.70 4.71 0.00 1.92 1.87 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.47 7.81 106 A 8.71 4.81 1.34 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 0.00 107 S 8.83 4.65 0.00 3.89 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 0.00 108 D 7.84 4.55 0.00 2.71 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 0.00 109 E 9.05 3.96 0.00 2.05 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 2.41 2.35 0.00 110 S 7.95 4.58 0.00 4.09 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 0.00 111 E 7.74 4.08 0.00 2.21 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 0.00 2.32 2.40 0.00 112 L 7.39 3.89 0.00 1.71 1.73 1.08 0.85 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 0.00 113 E 8.08 4.17 0.00 2.16 2.00 0.00 0.00 0.00 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 2.55 0.00 114 S 8.09 4.45 0.00 4.07 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 0.00 115 L 6.92 4.25 0.00 1.56 1.75 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.76 4.39 0.00 1.99 1.75 0.99 0.87 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 0.00 117 D 8.76 5.03 0.00 2.80 2.90 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 0.00 118 A 9.11 3.96 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 0.00 119 T 7.98 3.80 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 0.00 120 A 8.53 4.02 1.46 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 0.00 0.00 121 Y 8.03 3.96 0.00 2.73 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 0.00 122 E 8.56 3.74 0.00 2.11 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 2.24 2.25 0.00 123 A 7.78 4.13 1.28 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 0.00 0.00 124 L 7.21 3.83 0.00 1.68 1.57 0.92 1.12 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 0.00 125 L 7.55 3.85 0.00 1.65 1.46 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.69 3.84 0.00 1.99 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 2.36 2.45 0.00 127 D 7.92 4.39 0.00 2.75 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 0.00 128 E 7.54 4.11 0.00 2.12 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 0.00 2.37 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.