NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.2353 8.1600 107.8406 46.5106 0.0000 172.0263 10 K 4.8918 8.7480 120.3870 53.9132 36.2527 172.7992 11 L 5.2661 9.0041 128.8958 53.5673 45.4110 174.8152 12 T 4.9857 9.0164 115.7732 60.6523 72.9394 172.1450 13 T 4.9188 8.1862 115.1650 61.8831 70.9213 171.6622 14 H 5.1466 8.5151 121.6678 55.0851 33.6035 171.7687 15 I 4.8448 8.9859 125.9961 59.4541 40.0469 174.3314 16 L 4.8536 8.5561 126.6516 52.9067 44.6751 175.1798 17 D 5.2592 8.9389 124.2636 52.9975 41.4618 176.7495 18 L 4.2693 9.0307 127.2209 57.0825 41.4476 179.1014 19 T 4.1659 8.9804 116.4085 65.7432 68.5380 174.8564 20 C 4.7158 7.8013 111.9739 56.6174 30.9922 174.7012 21 G 3.9340 8.6332 108.4366 45.8319 0.0000 173.2222 22 K 4.7876 7.5061 117.9932 53.4019 35.6667 173.9876 23 P 4.7537 0.0000 0.0000 62.6095 32.4533 176.3237 24 A 4.2065 8.8460 125.1310 51.1261 19.1853 176.4553 25 A 4.5615 8.5694 123.9187 52.0583 20.4769 176.1958 26 N 4.3251 8.8270 118.4742 54.5345 38.2775 173.9801 27 V 4.0576 8.0946 117.0819 61.5267 33.0245 174.9408 28 K 4.2157 8.5917 129.1117 56.0760 33.6183 175.2717 29 I 4.7460 8.8354 127.5217 59.3273 40.6291 174.5320 30 G 4.3229 8.4831 113.6941 44.2274 0.0000 172.2721 31 L 5.2201 8.0734 124.7750 53.0650 45.7965 175.1856 32 K 4.4386 8.0974 119.9267 56.0962 36.3118 174.7768 33 R 4.0383 8.2181 121.2779 55.4706 31.6218 175.6337 34 L 3.8777 7.6990 124.7542 57.0496 41.8646 175.3501 35 G 4.1065 9.1462 114.1995 45.7900 0.0000 173.4341 36 E 4.2426 7.3690 117.7049 55.2908 30.6335 175.4987 37 S 4.5628 8.0020 114.8763 56.4584 64.9912 172.9781 38 I 4.1546 7.9058 121.3483 60.7208 37.6913 175.5132 *40 K 4.1729 8.3860 120.5350 56.6454 33.7768 175.2452 41 E 5.0023 8.5398 121.0360 54.8507 32.9372 175.0058 42 V 4.6117 8.7320 123.7374 61.2195 35.9265 173.4713 43 Y 5.1767 8.4265 120.9182 55.9388 40.7965 175.9188 44 T 4.3207 8.7577 114.9406 61.9994 70.4900 174.7862 45 N 4.6212 9.0346 121.2618 52.2769 39.6794 175.1595 46 N 4.4580 8.7129 114.0417 56.0069 38.7710 175.1392 47 D 4.6350 8.7273 117.0903 53.3271 41.3273 176.0479 48 G 4.1038 8.2114 105.5142 47.1373 0.0000 173.7202 49 R 4.8680 7.8458 118.5069 54.1733 33.9854 174.3639 50 V 4.7130 7.9304 109.9711 59.9363 35.2518 175.2657 51 D 4.4859 9.0083 124.4450 57.3235 40.8369 177.2468 52 V 4.2433 7.3191 116.6970 60.3269 32.2367 173.7581 53 P 4.3967 0.0000 0.0000 62.4501 31.8022 177.7046 54 L 4.2302 8.1807 121.9703 57.4041 41.9455 177.6502 55 L 4.5209 7.2233 119.0706 53.6382 45.0306 174.1338 56 A 5.1151 7.8906 122.4469 53.0222 23.4727 177.8818 57 G 3.9088 8.2130 108.2383 46.5790 0.0000 176.7093 58 E 3.9801 8.9994 120.8816 59.2745 29.6658 177.7096 59 E 4.0688 7.7467 116.5270 59.2740 29.7062 177.7736 60 L 4.1390 7.2945 119.0841 54.2643 42.8698 175.9903 *62 S 5.0831 7.8192 117.2615 56.9921 64.0908 174.1170 63 G 3.8660 7.8053 111.0746 45.2926 0.0000 170.1251 64 E 4.9109 7.5838 118.1095 55.2074 31.9278 175.1668 65 Y 4.7796 8.0279 119.1390 56.6248 43.1957 173.7774 66 V 5.3007 8.0772 118.0697 61.3671 35.9074 173.0264 *68 E 4.3490 8.6698 119.1679 56.3805 30.9344 175.1644 69 F 4.7293 8.9686 125.1788 56.6974 40.3162 176.3530 70 H 4.6561 8.9478 123.9135 54.6802 25.8089 175.8400 71 A 4.1006 7.9269 126.7329 54.7253 18.8605 179.2743 72 G 3.7604 8.3482 104.6871 48.3351 0.0000 175.5934 73 D 4.4096 8.1306 121.1117 56.9801 40.6901 177.9588 74 Y 4.1015 7.5007 118.8922 61.0210 39.1335 178.2193 75 F 4.1371 8.3039 118.3131 59.9978 38.9452 177.6865 76 A 4.0351 7.9746 121.1169 55.0729 18.0955 179.3111 77 S 4.3422 7.8843 109.2782 59.7034 63.1676 175.2407 78 K 4.4193 7.6459 120.7460 56.3134 33.6920 176.1350 79 N 4.7389 8.1779 116.8501 53.3359 38.8721 175.7524 *82 A 4.0527 8.5738 119.3100 51.3025 19.3553 176.3844 83 A 4.2837 8.5025 126.1051 52.0027 19.2259 177.2983 84 D 4.5082 8.7632 120.7083 56.6280 41.1058 176.8226 85 Q 4.5528 7.6207 117.5194 52.8005 28.9543 172.8605 86 P 4.4566 0.0000 0.0000 61.8986 32.4510 176.6029 87 F 4.3595 8.9713 124.5306 61.0411 39.3966 175.0782 88 L 4.2626 7.6996 120.0445 53.6060 42.4312 175.1406 89 T 4.3842 8.6488 113.4618 62.4538 70.6713 173.9194 90 I 4.7129 7.3629 125.7732 58.3039 39.9543 174.8443 91 V 3.7191 8.8784 129.2343 62.4480 32.2827 174.5387 92 T 4.7116 8.4285 123.3286 60.7596 69.0131 173.9275 93 V 4.4947 8.4423 127.5529 61.3939 34.3554 173.7503 94 R 5.0209 8.6303 128.6813 55.2445 31.8085 174.9223 95 F 4.8610 7.6704 117.7945 56.3595 41.7384 172.1195 96 Q 5.0242 8.9218 120.5327 54.3476 31.5764 174.6444 97 L 4.2301 8.9849 126.6607 53.2813 42.5736 177.2735 98 A 3.9448 8.8882 127.7550 54.4439 18.6487 176.9167 99 D 4.8110 8.4534 117.1887 52.3913 41.9089 175.3710 100 P 4.5476 0.0000 0.0000 64.5623 31.6786 177.2977 101 D 4.9844 9.3770 117.7451 53.8668 41.2363 175.6525 102 A 4.5609 7.5969 121.3905 50.9925 21.8203 176.4594 103 H 4.9149 8.3461 116.0512 54.6361 30.3058 174.3147 104 Y 4.5195 9.2390 122.9360 56.5829 40.0331 174.7668 105 H 5.1154 8.7506 122.0869 54.2945 31.1322 173.5982 106 I 5.1709 8.2273 125.4180 57.5249 37.2673 173.8292 107 P 4.5727 0.0000 0.0000 61.9277 33.5312 174.5728 108 L 4.6404 8.7041 122.6371 53.4114 45.4004 174.9404 109 L 4.8935 9.0631 126.9112 53.3152 43.3694 175.0283 110 L 5.1799 9.0883 127.1825 53.5126 44.4349 175.3937 111 S 5.1567 9.0357 120.2650 56.2583 67.2736 173.3103 112 P 3.6230 0.0000 0.0000 65.0038 31.1015 177.4543 113 F 5.0325 8.0826 115.6674 56.1983 40.1342 175.1575 114 G 4.3601 7.5945 110.0388 45.8291 0.0000 172.2714 115 Y 5.3964 7.8770 118.5056 55.5676 41.4944 173.6337 116 Q 4.6079 9.2595 121.1510 54.3747 32.1192 173.9619 117 V 5.0463 8.5764 126.1532 61.5548 34.0199 173.9608 118 Y 4.8281 7.9980 122.4955 56.1053 41.7958 174.0086 119 R 4.1812 8.7620 122.1482 55.6135 29.3032 176.4931 120 G 4.0905 8.3810 113.3761 45.1104 0.0000 171.1451 121 S 4.4513 8.5275 114.1139 58.3851 62.7155 174.3131 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 9 G 8.16 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 0.00 0.00 0.00 0.00 10 K 8.75 4.89 0.00 1.56 1.23 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.37 7.81 11 L 9.00 5.27 0.00 1.64 1.34 0.77 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.02 4.99 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 1.20 0.00 0.00 13 T 8.19 4.92 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 1.25 0.00 0.00 14 H 8.52 5.15 0.00 3.17 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.99 4.84 1.73 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.65 0.00 0.00 16 L 8.56 4.85 0.00 1.52 1.54 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.94 5.26 0.00 2.85 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 18 L 9.03 4.27 0.00 1.65 1.77 0.97 1.22 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 19 T 8.98 4.17 4.72 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 1.29 0.00 0.00 20 C 7.80 4.72 0.00 3.08 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 21 G 8.63 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 0.00 0.00 0.00 22 K 7.51 4.79 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.42 7.81 23 P 0.00 4.75 0.00 2.11 2.22 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 24 A 8.85 4.21 0.46 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 25 A 8.57 4.56 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 26 N 8.83 4.33 0.00 2.91 3.02 0.00 0.00 7.10 7.37 0.00 0.00 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 V 8.09 4.06 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 0.84 0.00 0.00 0.46 0.00 0.00 28 K 8.59 4.22 0.00 1.54 1.28 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.89 0.21 7.81 29 I 8.84 4.75 1.64 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 0.96 0.73 0.37 0.00 0.00 30 G 8.48 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 31 L 8.07 5.22 0.00 1.65 1.45 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 4.44 0.00 1.84 1.79 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.35 1.27 7.81 33 R 8.22 4.04 0.00 1.75 1.58 0.00 3.04 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 34 L 7.70 3.88 0.00 1.60 1.41 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.15 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 0.00 0.00 0.00 36 E 7.37 4.24 0.00 2.07 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 2.29 2.18 0.00 37 S 8.00 4.56 0.00 3.94 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 38 I 7.91 4.15 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.94 0.00 0.00 *40 K 8.39 4.17 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 41 E 8.54 5.00 0.00 1.75 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 2.09 2.22 0.00 42 V 8.73 4.61 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 0.98 0.00 0.00 0.89 0.00 0.00 43 Y 8.43 5.18 0.00 2.78 2.82 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 44 T 8.76 4.32 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 1.30 0.00 0.00 45 N 9.03 4.62 0.00 2.92 3.04 0.00 0.00 7.11 6.82 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 46 N 8.71 4.46 0.00 2.74 2.94 0.00 0.00 6.63 8.06 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 47 D 8.73 4.63 0.00 2.58 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 48 G 8.21 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 49 R 7.85 4.87 0.00 1.77 1.77 0.00 2.95 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 50 V 7.93 4.71 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 0.73 0.00 0.00 1.02 0.00 0.00 51 D 9.01 4.49 0.00 2.64 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 52 V 7.32 4.24 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 0.80 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.40 0.00 2.24 1.91 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 54 L 8.18 4.23 0.00 1.73 1.66 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.22 4.52 0.00 1.69 1.31 0.87 0.49 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 56 A 7.89 5.12 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 57 G 8.21 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 0.00 0.00 0.00 58 E 9.00 3.98 0.00 1.98 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 2.32 2.34 0.00 59 E 7.75 4.07 0.00 2.20 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 2.36 2.28 0.00 60 L 7.29 4.14 0.00 1.55 1.58 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *62 S 7.82 5.08 0.00 4.08 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 63 G 7.81 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 0.00 0.00 0.00 64 E 7.58 4.91 0.00 1.73 1.65 0.00 0.00 0.00 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 2.23 0.00 65 Y 8.03 4.78 0.00 1.97 2.52 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 66 V 8.08 5.30 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 1.21 0.00 0.00 0.82 0.00 0.00 *68 E 8.67 4.35 0.00 1.84 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 2.22 2.26 0.00 69 F 8.97 4.73 0.00 2.85 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 70 H 8.95 4.66 0.00 3.14 3.27 0.00 5.62 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 71 A 7.93 4.10 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 72 G 8.35 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 73 D 8.13 4.41 0.00 2.78 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 74 Y 7.50 4.10 0.00 2.77 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 75 F 8.30 4.14 0.00 3.11 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 76 A 7.97 4.04 1.44 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 0.00 0.00 77 S 7.88 4.34 0.00 4.05 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 78 K 7.65 4.42 0.00 1.79 1.79 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.02 0.63 7.81 79 N 8.18 4.74 0.00 2.87 2.24 0.00 0.00 7.06 7.94 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 *82 A 8.57 4.05 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 83 A 8.50 4.28 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 84 D 8.76 4.51 0.00 2.71 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 85 Q 7.62 4.55 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 86 P 0.00 4.46 0.00 2.19 2.00 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 87 F 8.97 4.36 0.00 2.96 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 88 L 7.70 4.26 0.00 1.56 1.54 1.15 0.63 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 89 T 8.65 4.38 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 1.24 0.00 0.00 90 I 7.36 4.71 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.76 0.00 0.00 91 V 8.88 3.72 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 -0.04 0.00 0.00 0.58 0.00 0.00 92 T 8.43 4.71 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 1.25 0.00 0.00 93 V 8.44 4.49 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 1.19 0.00 0.00 1.15 0.00 0.00 94 R 8.63 5.02 0.00 1.86 1.82 0.00 3.31 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 95 F 7.67 4.86 0.00 3.08 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 96 Q 8.92 5.02 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 97 L 8.98 4.23 0.00 1.61 1.20 0.50 -0.35 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 98 A 8.89 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.81 0.00 2.78 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 0.00 100 P 0.00 4.55 0.00 2.27 2.26 0.00 3.67 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 101 D 9.38 4.98 0.00 2.69 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 0.00 102 A 7.60 4.56 0.85 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 0.00 103 H 8.35 4.91 0.00 2.86 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.24 4.52 0.00 2.78 2.72 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 0.00 105 H 8.75 5.12 0.00 3.08 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.23 5.17 1.58 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.50 0.71 0.00 0.00 107 P 0.00 4.57 0.00 1.35 1.81 0.00 2.58 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 108 L 8.70 4.64 0.00 0.92 0.87 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.06 4.89 0.00 1.70 1.64 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.09 5.18 0.00 1.65 1.64 1.04 0.59 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 0.00 111 S 9.04 5.16 0.00 4.10 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 0.00 112 P 0.00 3.62 0.00 2.04 1.59 0.00 3.56 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.88 0.00 113 F 8.08 5.03 0.00 2.92 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 0.00 114 G 7.59 4.36 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 0.00 115 Y 7.88 5.40 0.00 3.03 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 0.00 116 Q 9.26 4.61 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 117 V 8.58 5.05 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 0.95 0.00 0.00 1.12 0.00 0.00 118 Y 8.00 4.83 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 0.00 119 R 8.76 4.18 0.00 1.88 1.98 0.00 3.35 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 120 G 8.38 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.53 4.45 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.