NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3932 8.2729 122.0339 56.1456 34.8164 177.5648 6 S 5.0793 9.2642 109.9690 56.4869 65.9411 175.9942 7 C 4.4818 8.6909 120.0435 55.4308 41.3645 171.6749 8 P 4.6171 0.0000 0.0000 62.3623 32.0182 175.6346 9 N 4.3808 8.8862 118.9724 53.6832 39.1779 172.7657 10 P 4.1323 0.0000 0.0000 64.2232 32.2678 176.5432 11 G 3.9871 9.3912 103.8470 44.0426 0.0000 172.1494 12 E 4.6109 8.1580 118.6267 54.6927 32.8901 174.6784 13 I 4.1616 7.9457 121.4597 59.2167 38.5988 175.2884 14 R 4.0124 8.3591 126.4083 57.5040 30.5320 175.5951 15 N 3.9309 9.0162 120.9038 53.7587 35.7962 173.4616 16 G 4.2537 7.7353 104.9394 45.2462 0.0000 172.2379 17 Q 4.7851 9.0950 117.0792 54.1200 33.3944 174.6896 18 I 4.9924 8.3939 122.4840 59.6795 39.8482 174.2348 19 D 4.7025 9.4510 128.1290 52.8480 42.9362 175.5235 20 V 4.5771 8.1563 125.4059 60.5577 30.6975 172.7869 21 P 4.4129 0.0000 0.0000 63.9944 32.3995 178.0921 22 G 3.9875 7.7359 107.1093 44.5819 0.0000 173.4233 23 G 3.9991 8.0928 109.0813 44.6790 0.0000 173.4080 24 I 4.6719 7.8712 110.5998 60.5340 38.1728 175.5616 25 L 4.6766 7.6566 121.1113 53.7865 42.9178 176.0260 26 F 4.1503 8.4897 115.3689 58.9255 37.6848 175.8653 27 G 3.7005 8.3548 113.3051 44.8283 0.0000 173.7004 28 A 4.1922 7.5275 121.9680 52.1972 19.6063 176.5743 29 T 5.3601 8.5422 117.1091 61.7145 71.5043 173.6217 30 I 4.6347 8.7571 118.8774 59.1100 41.1560 174.4357 31 S 4.7801 8.6341 118.8956 56.6794 66.2691 173.1136 32 F 5.7782 8.6110 122.4542 56.0983 41.4257 174.9968 33 S 4.7664 8.8616 115.1816 57.4947 66.7062 172.1932 34 C 5.1845 8.5444 117.6391 55.1805 40.6436 173.6195 35 N 4.7354 9.0152 118.8229 53.1511 39.6195 175.1185 36 T 3.9830 8.4368 117.8853 65.6600 68.8563 174.8984 37 G 3.4011 9.0721 114.0168 44.7395 0.0000 172.4580 38 Y 4.8085 7.5188 116.2383 55.8192 41.3920 174.9041 39 K 4.6214 9.1169 123.5953 54.4662 35.3509 174.6124 40 L 4.7866 8.4010 128.8262 54.6218 43.0864 175.5201 41 F 4.4163 9.5184 125.7638 56.9892 41.4816 173.2170 42 G 3.8682 8.7902 110.4309 44.2932 0.0000 173.2505 43 S 4.4874 8.6274 116.1094 58.9047 63.8199 173.9918 44 T 4.9148 8.3809 111.4610 61.7694 69.9320 173.4422 45 S 4.3106 7.7109 115.1562 57.6368 66.0519 173.3435 46 S 4.8521 8.5314 114.3770 56.8073 66.2520 172.2211 47 F 5.4980 9.7385 128.0151 56.5900 42.5394 173.3748 48 C 4.4546 8.2873 126.7510 55.3975 40.7818 172.1599 49 L 5.1666 8.7399 126.6749 53.9406 44.0738 175.0667 50 I 4.7420 8.2407 119.8608 59.7742 38.9851 175.7758 51 S 4.3707 8.9964 121.4638 57.0142 64.8147 173.8400 52 G 3.7020 8.2712 120.2207 47.2611 0.0000 173.1482 53 S 4.6034 8.8119 119.9985 57.5267 63.3522 173.6520 54 S 4.7086 8.1027 115.9897 56.6628 65.0581 172.7506 55 V 4.7486 8.1029 122.5211 61.4157 32.5888 174.6569 56 Q 4.5074 9.0221 125.1027 54.3840 32.4565 173.8979 57 W 4.8270 8.5298 120.3033 56.7158 29.3636 176.9734 58 S 4.5237 9.6087 119.4780 60.9339 63.2112 174.3231 59 D 5.2010 8.5397 118.6110 51.5709 44.3296 174.4458 60 P 4.6254 0.0000 0.0000 61.6156 32.6987 175.7584 61 L 3.3188 7.9100 118.8428 53.7999 41.9306 175.7158 62 P 4.6456 0.0000 0.0000 62.3174 33.5997 174.4395 63 E 4.7070 9.0448 118.6601 54.8791 32.1968 174.8427 64 C 5.4692 8.7402 120.9007 55.4979 40.9294 173.3578 65 R 4.9449 9.1820 123.2831 53.7843 33.3788 176.6911 66 E 4.0574 9.1450 123.8828 55.2668 28.9310 179.2609 67 I 4.1907 7.2164 122.4815 60.6290 39.0225 171.1901 68 Y 5.1083 7.6475 122.5188 56.2150 40.5198 176.4296 69 C 4.5560 9.0348 121.5171 56.0061 41.3205 171.5439 70 P 4.7973 0.0000 0.0000 61.8095 32.6121 175.7047 71 A 4.3795 8.6800 122.8448 51.4878 18.7618 175.8562 72 P 3.7192 0.0000 0.0000 61.3962 31.9383 174.6801 73 P 4.3652 0.0000 0.0000 62.9225 31.9232 176.0196 74 Q 4.5121 8.2858 118.9769 54.9739 29.7703 175.2494 75 I 4.4669 7.7600 112.5766 58.6796 40.2411 174.7647 76 D 4.3630 8.4019 122.5827 55.6326 41.3275 175.8448 77 N 3.7933 8.8191 119.0337 53.8101 35.9731 173.7965 78 G 4.5468 7.4019 105.4034 44.1327 0.0000 171.9077 79 I 4.7166 8.6210 117.8354 59.2513 41.9407 174.2336 80 I 4.2318 8.1682 127.8614 60.3168 38.0541 175.5547 81 Q 3.9139 8.7915 127.7479 55.7697 29.1144 176.7397 82 G 3.9293 8.6987 114.1532 46.1007 0.0000 173.3455 83 E 4.1246 8.0509 118.3924 56.2309 30.5961 175.8317 84 R 4.4166 8.7993 121.0708 55.6747 31.9153 173.0045 85 D 4.5597 8.1640 117.5406 53.6269 43.7841 175.4345 86 H 3.3029 7.9208 113.7647 57.1486 25.5656 175.9997 87 Y 4.3374 7.5726 117.0238 57.2669 38.2379 176.5547 88 G 4.2367 8.6523 115.3706 43.3786 0.0000 171.1702 89 Y 4.3412 7.3571 120.1350 59.3592 38.7718 176.8729 90 R 3.8854 8.6213 125.7849 56.0686 29.4630 176.6413 91 Q 4.5789 7.9017 117.3218 55.7718 30.0380 175.1969 92 S 5.3576 8.7397 115.0303 56.6211 66.6182 173.1220 93 V 4.3222 8.4638 120.5423 61.1082 34.0996 174.4049 94 T 4.9636 8.1160 116.5016 60.0767 72.0148 172.2762 95 Y 5.2929 8.7053 119.5149 56.3488 41.6700 174.8623 96 A 4.8402 8.7496 121.7676 50.6395 23.0321 174.9731 97 C 4.8888 8.7093 116.8973 55.9352 39.5553 173.4440 98 N 4.7779 8.7396 118.8435 52.3496 39.8661 174.7924 99 K 4.0829 8.5884 121.6397 58.4390 32.5233 176.9837 100 G 3.8216 9.3987 113.9554 44.7436 0.0000 172.4357 101 F 5.2803 7.9099 117.2598 55.7130 42.6767 174.6058 102 T 4.7442 9.0271 111.1739 60.1639 71.6524 172.7975 103 M 4.9002 8.6326 123.6587 55.0557 33.8967 174.9391 104 I 4.5008 8.7633 123.9149 60.6088 41.9835 173.9302 105 G 3.9125 8.8735 113.2008 44.0838 0.0000 172.2834 106 E 4.2429 8.4318 118.6253 56.2430 30.1113 177.1094 107 H 4.5469 8.9364 118.7578 57.0765 29.4093 174.7819 108 S 5.1372 7.5213 113.9316 56.3453 65.9260 173.1994 109 I 4.6222 8.2894 114.4151 59.3776 41.1196 173.7051 110 Y 5.4092 9.3866 120.0056 56.3252 42.3588 173.9286 111 C 4.1676 9.1694 123.0447 56.4158 44.0453 172.4556 112 T 5.0541 8.9097 120.9698 60.2775 71.1519 171.8659 113 V 4.8000 8.5504 124.0824 61.6259 34.1616 175.3372 *114 N 4.8063 9.2350 126.6837 51.9496 40.3731 172.2322 *115 N 4.2808 9.7233 124.3795 53.2929 34.8853 172.0921 *116 D 4.7818 8.6217 118.5633 54.3914 38.2888 176.5892 *117 E 4.8121 7.8132 114.8685 54.5052 32.6788 180.5032 118 G 4.0566 8.4712 110.3007 45.7360 0.0000 172.8378 119 E 4.8368 9.1370 124.1495 54.1087 34.3139 175.0063 120 W 4.7800 8.7531 123.5054 56.0155 29.5771 178.4970 121 S 4.6980 9.6075 117.8896 57.3576 64.2462 173.8085 122 G 4.1964 9.1022 108.0880 45.0964 0.0000 170.5760 123 P 4.6073 0.0000 0.0000 61.2779 32.1327 174.6776 124 P 4.2003 0.0000 0.0000 61.8213 31.8394 173.9806 125 P 4.5851 0.0000 0.0000 62.8137 32.6926 174.8394 126 E 4.7138 8.8105 118.6612 54.6640 33.0205 174.6007 127 C 5.4812 8.6291 119.3884 55.3162 39.6073 173.4462 128 R 4.8591 9.2829 123.1232 54.2824 33.0762 176.5726 129 G 3.4315 8.8404 110.8045 45.6579 0.0000 173.4362 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 5 K 8.27 4.39 0.00 1.81 1.41 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 6 S 9.26 5.08 0.00 3.48 3.58 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 7 C 8.69 4.48 0.00 1.95 1.81 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 0.00 8 P 0.00 4.62 0.00 2.21 2.11 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 9 N 8.89 4.38 0.00 2.76 2.86 0.00 0.00 7.01 7.69 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 10 P 0.00 4.13 0.00 2.01 1.84 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 11 G 9.39 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 12 E 8.16 4.61 0.00 1.97 1.83 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 2.13 2.26 0.00 13 I 7.95 4.16 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 0.78 0.00 0.00 14 R 8.36 4.01 0.00 1.68 1.74 0.00 3.29 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 15 N 9.02 3.93 0.00 2.35 1.42 0.00 0.00 6.76 7.60 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 16 G 7.74 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 17 Q 9.09 4.79 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 18 I 8.39 4.99 1.89 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 1.41 0.63 0.96 0.00 0.00 19 D 9.45 4.70 0.00 2.73 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 20 V 8.16 4.58 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 0.94 0.00 0.00 0.91 0.00 0.00 21 P 0.00 4.41 0.00 2.21 2.14 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 22 G 7.74 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 23 G 8.09 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 0.00 0.00 0.00 24 I 7.87 4.67 2.06 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 1.48 0.88 1.19 0.00 0.00 25 L 7.66 4.68 0.00 1.47 1.53 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.49 4.15 0.00 3.06 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 27 G 8.35 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 A 7.53 4.19 1.39 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 0.00 0.00 29 T 8.54 5.36 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 30 I 8.76 4.63 1.69 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.14 0.83 0.00 0.00 31 S 8.63 4.78 0.00 3.62 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 32 F 8.61 5.78 0.00 2.86 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 33 S 8.86 4.77 0.00 3.88 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 34 C 8.54 5.18 0.00 2.91 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 35 N 9.02 4.74 0.00 2.68 2.81 0.00 0.00 7.28 7.02 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 36 T 8.44 3.98 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 1.16 0.00 0.00 37 G 9.07 3.40 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 0.00 0.00 0.00 38 Y 7.52 4.81 0.00 3.03 2.86 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 39 K 9.12 4.62 0.00 1.78 1.80 0.00 1.59 0.00 0.00 1.22 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.88 1.17 7.81 40 L 8.40 4.79 0.00 1.69 1.50 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.52 4.42 0.00 2.99 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 42 G 8.79 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 43 S 8.63 4.49 0.00 4.05 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 44 T 8.38 4.91 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 1.24 0.00 0.00 45 S 7.71 4.31 0.00 3.78 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 46 S 8.53 4.85 0.00 4.04 3.48 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 47 F 9.74 5.50 0.00 3.19 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 48 C 8.29 4.45 0.00 1.84 2.48 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 49 L 8.74 5.17 0.00 1.92 2.05 1.00 0.95 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 50 I 8.24 4.74 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 1.10 0.56 0.84 0.00 0.00 51 S 9.00 4.37 0.00 3.75 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 52 G 8.27 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 53 S 8.81 4.60 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 54 S 8.10 4.71 0.00 3.96 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 55 V 8.10 4.75 1.97 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 0.70 0.00 0.00 0.86 0.00 0.00 56 Q 9.02 4.51 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 57 W 8.53 4.83 0.00 3.30 3.27 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 58 S 9.61 4.52 0.00 4.01 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 0.00 59 D 8.54 5.20 0.00 2.84 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 60 P 0.00 4.63 0.00 2.16 2.10 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 61 L 7.91 3.32 0.00 1.42 1.22 0.76 0.41 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 62 P 0.00 4.65 0.00 2.09 2.24 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.00 0.00 63 E 9.04 4.71 0.00 1.95 1.84 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 2.18 2.24 0.00 64 C 8.74 5.47 0.00 2.90 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 65 R 9.18 4.94 0.00 1.74 1.70 0.00 2.21 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 66 E 9.15 4.06 0.00 1.80 1.12 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 1.94 1.85 0.00 67 I 7.22 4.19 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.80 0.00 0.00 68 Y 7.65 5.11 0.00 2.90 2.86 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 69 C 9.03 4.56 0.00 2.34 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 0.00 0.00 0.00 70 P 0.00 4.80 0.00 2.25 2.19 0.00 3.59 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 2.29 2.09 0.00 71 A 8.68 4.38 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 72 P 0.00 3.72 0.00 1.54 0.55 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.38 0.00 73 P 0.00 4.37 0.00 2.11 2.05 0.00 3.14 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 74 Q 8.29 4.51 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 75 I 7.76 4.47 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.33 0.00 0.00 76 D 8.40 4.36 0.00 2.58 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 77 N 8.82 3.79 0.00 2.08 1.42 0.00 0.00 6.76 7.58 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 78 G 7.40 4.55 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 0.00 0.00 0.00 79 I 8.62 4.72 1.86 0.00 0.00 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 1.19 1.43 0.91 0.00 0.00 80 I 8.17 4.23 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.58 0.57 0.00 0.00 81 Q 8.79 3.91 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 82 G 8.70 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 83 E 8.05 4.12 0.00 1.90 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 2.35 2.33 0.00 84 R 8.80 4.42 0.00 1.75 1.82 0.00 2.87 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.00 85 D 8.16 4.56 0.00 2.41 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 0.00 0.00 0.00 0.00 86 H 7.92 3.30 0.00 2.97 2.80 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.57 4.34 0.00 3.23 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 88 G 8.65 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 0.00 0.00 0.00 0.00 89 Y 7.36 4.34 0.00 2.79 2.81 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 0.00 90 R 8.62 3.89 0.00 1.58 1.99 0.00 2.54 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.29 0.00 91 Q 7.90 4.58 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 92 S 8.74 5.36 0.00 3.50 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 93 V 8.46 4.32 1.20 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 0.18 0.00 0.00 -0.13 0.00 0.00 94 T 8.12 4.96 4.21 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 1.08 0.00 0.00 95 Y 8.71 5.29 0.00 2.72 2.79 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 96 A 8.75 4.84 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 97 C 8.71 4.89 0.00 2.93 3.10 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 98 N 8.74 4.78 0.00 2.74 2.84 0.00 0.00 6.91 6.63 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 99 K 8.59 4.08 0.00 1.75 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 100 G 9.40 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 0.00 101 F 7.91 5.28 0.00 2.99 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 0.00 102 T 9.03 4.74 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 1.22 0.00 0.00 103 M 8.63 4.90 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 104 I 8.76 4.50 1.87 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 1.15 1.31 0.89 0.00 0.00 105 G 8.87 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 0.00 106 E 8.43 4.24 0.00 1.97 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 2.33 2.28 0.00 107 H 8.94 4.55 0.00 3.41 3.56 0.00 5.59 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.52 5.14 0.00 3.51 3.40 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 0.00 109 I 8.29 4.62 1.99 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.97 0.00 0.00 110 Y 9.39 5.41 0.00 2.94 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 0.00 111 C 9.17 4.17 0.00 2.27 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 0.00 112 T 8.91 5.05 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 1.37 0.00 0.00 113 V 8.55 4.80 1.81 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 0.67 0.00 0.00 0.49 0.00 0.00 *114 N 9.24 4.81 0.00 2.57 2.62 0.00 0.00 6.82 6.78 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 *115 N 9.72 4.28 0.00 2.89 2.79 0.00 0.00 6.90 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 *116 D 8.62 4.78 0.00 2.88 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 *117 E 7.81 4.81 0.00 1.86 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 2.12 2.08 0.00 118 G 8.47 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 0.00 0.00 0.00 0.00 119 E 9.14 4.84 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 2.23 2.25 0.00 120 W 8.75 4.78 0.00 3.19 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 0.00 121 S 9.61 4.70 0.00 4.01 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 0.00 122 G 9.10 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 0.00 0.00 0.00 0.00 123 P 0.00 4.61 0.00 2.16 2.05 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 124 P 0.00 4.20 0.00 1.67 1.78 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 125 P 0.00 4.59 0.00 1.98 2.22 0.00 2.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 126 E 8.81 4.71 0.00 1.87 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 2.12 2.16 0.00 127 C 8.63 5.48 0.00 2.83 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 0.00 128 R 9.28 4.86 0.00 1.72 1.84 0.00 3.30 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 129 G 8.84 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 * Residues marked with a * may have inaccurate shift predictions.