NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 P 4.4346 0.0000 0.0000 61.8604 32.8539 179.5227 60 S 3.9802 9.0442 125.5825 61.9525 62.4395 174.0806 61 L 4.5276 8.2506 119.9726 54.8899 41.7536 178.3419 62 A 4.6868 7.9296 119.3729 51.8657 21.9825 177.7666 63 Q 4.4292 8.1290 113.3847 57.5370 30.0798 176.9633 64 Q 4.2584 8.0990 113.2091 57.4694 29.1318 177.4185 65 R 4.0135 8.0359 118.3244 59.2788 30.7591 177.7748 66 A 4.3072 7.6817 119.5258 51.5408 17.8145 178.2919 67 R 4.6446 7.6106 114.7407 57.4599 34.3887 176.4128 68 R 4.5254 7.9725 115.1451 55.9246 31.2628 176.1309 69 A 4.6884 7.9458 120.1438 52.3941 18.2756 178.3676 70 Q 4.5644 7.8143 115.7386 56.9690 32.5791 175.7897 71 L 4.1628 7.7648 118.3950 53.6433 42.2074 174.9437 72 P 4.4594 0.0000 0.0000 62.2649 31.9962 174.6298 73 P 4.5993 0.0000 0.0000 62.9964 32.8023 175.4320 74 A 5.2695 8.5777 122.7699 53.3902 22.6037 175.0423 75 F 4.7980 7.6361 109.3666 56.4186 40.7129 172.9615 76 D 4.9206 8.9159 122.1054 53.1701 42.5116 177.4516 77 V 4.0800 8.2801 124.6670 60.7560 30.0592 174.1547 78 V 3.1972 7.5341 122.2819 63.0900 32.5276 175.7748 79 H 4.8506 7.5259 122.3800 55.2710 31.1760 173.5555 80 W 4.9014 7.8850 118.0467 57.2937 29.5989 176.2138 81 N 4.8878 10.2075 121.3308 52.2237 39.3500 174.5371 82 D 4.4570 8.6628 125.7169 56.8849 41.3414 177.9751 83 E 3.9387 8.1864 117.7724 59.4296 29.3623 176.3834 84 D 4.2635 7.6050 112.7058 53.5547 42.8370 175.2031 85 I 4.2839 8.0579 128.1104 61.1234 38.1732 175.2251 86 S 4.6587 8.9761 114.1812 58.6201 61.6036 170.4918 87 R 4.2954 7.4021 118.3457 58.3486 30.5962 177.2445 88 G 4.7176 7.9853 104.8512 45.3873 0.0000 171.5416 89 H 4.8978 7.7078 114.6505 55.0049 31.4263 172.4273 90 L 4.6809 8.8353 122.0019 53.0121 45.5913 174.7251 91 L 5.1298 8.1250 126.7358 53.3659 44.8757 174.6533 92 R 4.5812 8.7018 127.3122 54.5091 32.4326 174.7079 93 V 5.0123 7.5849 125.7356 60.3495 33.7555 174.1080 94 L 5.4355 8.2365 127.2712 53.2855 45.4826 176.0926 95 H 4.8815 9.6774 123.0747 55.7483 31.6461 175.1417 96 R 4.6313 8.2450 117.8311 56.6654 30.3578 171.4759 97 D 4.7850 8.4042 123.1185 54.1941 41.0407 173.6803 98 T 4.6693 7.8162 108.7198 61.3192 71.5956 173.6405 99 F 5.1588 8.5676 121.7489 56.2051 41.5804 175.8273 100 V 4.5612 8.3121 119.5956 62.4127 32.7856 174.3954 101 V 4.3527 8.6877 128.3185 61.4114 32.9301 175.1676 102 L 5.2192 7.7699 122.0579 53.3485 41.4087 177.0053 103 D 4.4645 8.4395 119.2506 54.7515 41.7356 177.5918 104 Y 5.0105 8.6988 125.7690 58.3282 40.4463 174.0766 105 H 5.0827 7.8412 117.4910 54.6454 33.9974 173.1059 106 R 4.8448 8.6754 119.1593 54.0259 32.5664 174.8080 107 Q 4.4042 8.6628 122.9239 57.9292 29.1568 173.8251 108 A 4.1623 9.3942 130.9511 52.4172 18.5038 180.4274 109 R 4.4502 8.4266 123.5387 54.4985 29.8754 179.8338 *111 L 4.0539 8.5085 127.1670 55.4777 43.1402 177.2317 112 T 4.1747 7.6479 113.5881 64.5881 69.2372 174.6497 113 E 4.0937 7.8996 119.8725 56.2948 30.0340 175.2770 114 E 4.4133 9.8668 119.1138 55.5861 30.6063 176.5306 115 G 4.0137 8.0952 111.1899 43.5707 0.0000 170.7558 116 N 4.3870 8.0004 119.1007 53.2057 38.4191 174.6146 117 K 4.2762 8.3924 124.6524 56.9244 33.2344 176.2876 118 A 5.2790 7.7068 121.8371 49.9061 22.0076 175.2877 119 E 4.4108 9.2729 122.8086 54.1032 32.4632 175.1664 120 R 4.0983 8.7599 128.2170 57.5122 29.0672 176.0659 121 V 3.8132 8.0913 118.0706 61.1677 31.0315 177.1322 122 V 4.4059 7.7984 120.0368 60.5403 35.0558 175.1051 123 S 4.9906 8.2716 114.6851 57.0175 65.9784 172.2985 124 V 4.4048 7.9305 121.9079 61.7400 35.9217 172.3322 *126 L 4.3166 8.3167 123.0944 54.0924 43.2372 174.2703 127 P 4.3708 0.0000 0.0000 62.1976 32.2582 177.0876 128 A 3.9478 8.5957 124.4976 55.6290 17.9115 180.0758 129 V 3.4150 7.7978 115.8363 66.3080 31.4601 177.0910 130 Y 3.8450 8.1133 115.2095 60.0297 37.6535 177.3748 131 T 4.0794 8.3235 118.4407 65.9577 68.5116 175.7709 132 A 4.0027 7.9849 121.7872 55.7004 18.3529 179.6665 133 R 3.7961 7.3977 116.1333 59.6755 30.2005 179.3850 134 F 4.4069 8.1723 117.3240 60.2969 38.7340 177.7506 135 L 3.9744 8.1898 118.5948 57.9637 41.5118 179.1340 136 A 4.0208 8.5874 120.8710 55.5215 18.0591 179.9458 137 V 3.8648 7.6719 116.5318 66.3480 31.5044 178.3859 138 L 3.7579 7.9455 117.4733 57.0853 41.4477 178.2596 139 E 4.5757 8.5371 117.7007 55.8106 29.3990 178.3739 140 G 4.0919 8.1776 108.0251 46.1395 0.0000 175.9763 141 R 4.0307 7.7731 118.4723 59.2001 30.1825 177.4225 142 S 4.7188 7.6623 112.0397 57.6090 64.1215 174.0652 143 E 4.6021 8.1300 119.8454 55.8966 30.7592 175.9682 144 K 4.7267 7.5011 116.9249 55.7178 35.1433 174.4019 145 V 4.7390 8.3435 125.3098 60.1113 35.1199 173.7650 146 E 5.0731 8.5070 120.9497 53.6100 32.4008 174.9200 147 V 3.0072 8.3382 124.5920 62.7162 32.9762 174.7422 148 H 5.3199 8.4496 125.7177 54.1889 27.6232 173.5425 149 S 4.7160 8.0970 115.5226 56.5756 64.4371 173.8441 150 R 4.1497 7.8107 123.3868 56.4908 29.9301 176.4196 151 Y 4.8053 6.9092 113.4799 56.0695 40.6524 174.8325 152 T 4.5167 7.4185 108.1380 61.6989 70.0126 171.5656 153 N 4.7321 8.4172 128.9221 53.2846 40.3542 173.5547 154 A 5.2348 8.6373 126.4402 50.7753 23.7281 174.8715 155 T 4.6849 8.5461 112.9469 61.4469 70.9769 172.0740 156 F 5.5453 9.5325 132.5556 57.1600 42.0658 174.3657 157 T 4.7565 7.8642 113.6604 59.7123 72.0970 171.2967 158 P 3.8434 0.0000 0.0000 62.7230 32.4450 174.6734 159 N 4.6610 7.7666 120.2309 51.4743 39.9847 172.7674 160 P 4.2164 0.0000 0.0000 66.5695 31.7765 179.3873 161 A 3.7945 7.4626 119.2155 54.8957 18.7991 177.5115 162 A 4.5613 7.8108 116.8543 50.2874 22.4972 173.9781 163 P 4.1970 0.0000 0.0000 63.9437 32.4664 176.2108 164 Y 3.9827 8.2484 116.6171 58.5657 35.4910 168.4946 165 T 5.1939 7.1413 109.9050 60.0504 72.0970 173.0286 166 F 5.2028 9.3060 120.8130 56.2037 43.8666 173.7219 167 T 5.3369 8.7778 116.2717 61.8796 72.7367 173.2387 168 L 5.1552 8.6683 124.9190 53.5533 45.5883 175.1014 169 K 4.7326 8.9605 125.6870 54.7461 35.3113 175.2103 170 C 5.1408 8.0503 120.9916 58.1696 33.3308 173.3592 171 T 5.2812 8.5032 109.6339 58.7032 68.3373 173.3520 172 S 4.9333 8.2180 126.6413 58.9460 65.2743 175.0299 173 T 5.2713 8.5191 114.6122 61.1361 72.0640 176.5688 174 R 4.3547 8.6803 116.7560 54.7516 32.8968 173.2463 175 P 4.6691 0.0000 0.0000 62.4911 30.4131 175.5223 *188 D 4.4326 7.5934 116.3656 53.8858 42.3929 176.1315 189 E 5.8614 7.9068 130.1785 56.6908 30.5367 174.5403 190 T 4.4144 8.0500 118.1746 61.6452 67.0434 171.9281 191 F 5.0783 9.0661 129.6418 56.6841 42.7775 173.7657 192 E 5.3575 9.1609 126.3137 54.3765 32.1610 175.2191 193 W 4.3966 7.6655 117.3714 57.1172 30.1251 173.9402 194 T 5.1947 8.2466 118.2471 61.6485 71.8057 173.7347 195 V 4.2405 8.0816 119.3510 59.8755 34.7308 175.0890 196 E 4.6944 8.2444 121.3112 54.4454 32.0243 175.7473 197 F 4.5309 9.4872 125.5201 57.3772 40.1397 175.8147 198 D 4.8854 9.3433 124.3890 52.8171 41.3139 178.2895 199 V 3.7276 8.5759 116.6848 66.9596 32.3025 177.3747 200 A 4.2111 8.2777 121.2843 55.0569 18.2863 179.2359 201 E 4.0395 8.2751 115.6606 59.4039 29.6624 179.6800 202 S 4.4194 8.5161 115.6812 61.4066 62.9724 176.5474 203 L 3.8847 7.3762 120.8440 56.1703 42.2818 178.2040 *205 L 4.3598 8.0462 119.4297 54.8498 43.9007 178.3576 206 Q 3.9419 8.6996 119.3689 59.5739 29.0524 178.8416 207 R 3.9998 8.4926 118.9231 59.4630 29.7772 177.5782 208 F 4.2599 8.2768 120.3696 59.8264 39.5446 176.0693 209 L 4.0539 8.8495 117.7777 58.8164 42.0152 179.4236 210 T 3.8228 8.0335 114.5689 67.6111 68.4688 175.9798 211 Q 4.2078 8.2607 118.1437 57.6293 28.7831 178.6819 212 A 3.8489 8.2738 123.3377 55.0941 18.5768 179.4206 213 L 3.9475 7.9041 116.8336 58.2112 41.8588 179.0266 214 H 4.1832 8.2771 117.9167 59.8439 29.7024 176.9421 215 Y 4.0606 8.2429 118.3747 60.9133 37.5174 177.6477 216 N 4.3690 8.7428 117.6050 56.9396 39.1745 176.7634 217 T 3.9642 8.4490 116.1543 63.8331 69.1809 173.9527 218 G 3.6452 8.3549 109.3467 46.4866 0.0000 174.7843 219 F 4.1778 7.9395 114.2951 57.8776 40.4217 177.5437 220 A 4.5415 7.0859 128.9231 54.5515 17.9696 177.7486 221 R 4.2713 8.7990 114.9982 57.6119 29.5170 175.8157 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 59 P 0.00 4.43 0.00 2.20 1.11 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 60 S 9.04 3.98 0.00 4.08 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 61 L 8.25 4.53 0.00 1.66 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.93 4.69 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 63 Q 8.13 4.43 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 64 Q 8.10 4.26 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 65 R 8.04 4.01 0.00 1.91 2.01 0.00 3.29 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 66 A 7.68 4.31 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 R 7.61 4.64 0.00 1.83 1.90 0.00 3.32 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 68 R 7.97 4.53 0.00 1.87 1.90 0.00 3.14 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 69 A 7.95 4.69 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 70 Q 7.81 4.56 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 71 L 7.76 4.16 0.00 1.86 1.64 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.46 0.00 1.98 2.20 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 73 P 0.00 4.60 0.00 2.22 2.02 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 74 A 8.58 5.27 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 75 F 7.64 4.80 0.00 3.07 3.13 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 76 D 8.92 4.92 0.00 2.57 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 77 V 8.28 4.08 1.90 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 0.70 0.00 0.00 0.79 0.00 0.00 78 V 7.53 3.20 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 0.60 0.00 0.00 0.87 0.00 0.00 79 H 7.53 4.85 0.00 3.00 2.85 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 7.89 4.90 0.00 3.29 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 81 N 10.21 4.89 0.00 2.76 2.73 0.00 0.00 7.17 6.44 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 82 D 8.66 4.46 0.00 2.72 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 83 E 8.19 3.94 0.00 1.98 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 0.00 2.49 2.29 0.00 84 D 7.61 4.26 0.00 2.63 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 85 I 8.06 4.28 1.89 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 1.49 0.66 1.03 0.00 0.00 86 S 8.98 4.66 0.00 4.11 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 0.00 87 R 7.40 4.30 0.00 2.07 2.09 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 88 G 7.99 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 0.00 0.00 0.00 0.00 89 H 7.71 4.90 0.00 3.25 3.38 0.00 5.40 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.84 4.68 0.00 0.65 1.30 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.12 5.13 0.00 2.00 1.36 1.20 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.70 4.58 0.00 1.92 1.72 0.00 3.09 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 93 V 7.58 5.01 1.00 0.00 0.00 0.00 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 0.32 0.00 0.00 94 L 8.24 5.44 0.00 1.72 1.77 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 H 9.68 4.88 0.00 3.24 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.25 4.63 0.00 1.92 1.86 0.00 3.33 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 97 D 8.40 4.79 0.00 2.93 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 98 T 7.82 4.67 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 1.21 0.00 0.00 99 F 8.57 5.16 0.00 3.03 3.13 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 0.00 100 V 8.31 4.56 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 0.90 0.00 0.00 1.15 0.00 0.00 101 V 8.69 4.35 2.10 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 1.24 0.00 0.00 0.96 0.00 0.00 102 L 7.77 5.22 0.00 1.66 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.44 4.46 0.00 2.58 2.49 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 0.00 104 Y 8.70 5.01 0.00 2.22 2.44 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 0.00 105 H 7.84 5.08 0.00 3.15 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.68 4.84 0.00 1.81 1.83 0.00 2.67 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 1.72 1.50 0.00 107 Q 8.66 4.40 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.11 0.00 108 A 9.39 4.16 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 0.00 0.00 0.00 0.00 0.00 109 R 8.43 4.45 0.00 1.71 1.35 0.00 3.35 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 *111 L 8.51 4.05 0.00 1.73 1.61 0.93 -0.17 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 0.00 112 T 7.65 4.17 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 1.18 0.00 0.00 113 E 7.90 4.09 0.00 1.88 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 2.27 2.27 0.00 114 E 9.87 4.41 0.00 1.89 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 2.17 2.18 0.00 115 G 8.10 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 0.00 0.00 0.00 116 N 8.00 4.39 0.00 2.65 2.71 0.00 0.00 6.93 6.68 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 0.00 117 K 8.39 4.28 0.00 1.21 1.23 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.34 7.81 118 A 7.71 5.28 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 0.00 119 E 9.27 4.41 0.00 1.95 1.77 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 2.14 2.18 0.00 120 R 8.76 4.10 0.00 1.98 1.90 0.00 3.38 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 1.58 1.60 0.00 121 V 8.09 3.81 2.13 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 0.61 0.00 0.00 0.73 0.00 0.00 122 V 7.80 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 -0.34 0.00 0.00 0.85 0.00 0.00 123 S 8.27 4.99 0.00 3.83 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 0.00 124 V 7.93 4.40 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 0.96 0.00 0.00 1.17 0.00 0.00 *126 L 8.32 4.32 0.00 2.17 1.85 1.01 1.23 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 0.00 127 P 0.00 4.37 0.00 2.59 2.03 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 128 A 8.60 3.95 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 0.00 129 V 7.80 3.42 1.90 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 0.62 0.00 0.00 0.82 0.00 0.00 130 Y 8.11 3.85 0.00 3.28 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 0.00 131 T 8.32 4.08 4.37 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 1.27 0.00 0.00 132 A 7.98 4.00 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 0.00 133 R 7.40 3.80 0.00 1.73 1.85 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 134 F 8.17 4.41 0.00 3.14 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 0.00 135 L 8.19 3.97 0.00 1.94 1.75 0.95 0.85 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 0.00 136 A 8.59 4.02 1.40 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 0.00 137 V 7.67 3.86 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 1.30 0.00 0.00 1.23 0.00 0.00 138 L 7.95 3.76 0.00 1.81 1.59 0.77 0.07 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 0.00 139 E 8.54 4.58 0.00 2.13 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 2.32 2.35 0.00 140 G 8.18 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 0.00 141 R 7.77 4.03 0.00 1.82 2.02 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 142 S 7.66 4.72 0.00 3.94 3.83 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 0.00 143 E 8.13 4.60 0.00 1.92 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 0.00 2.21 2.18 0.00 144 K 7.50 4.73 0.00 1.71 1.63 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.37 7.81 145 V 8.34 4.74 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 1.40 0.00 0.00 0.48 0.00 0.00 146 E 8.51 5.07 0.00 2.02 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 2.13 1.98 0.00 147 V 8.34 3.01 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 0.69 0.00 0.00 0.65 0.00 0.00 148 H 8.45 5.32 0.00 3.10 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.10 4.72 0.00 3.86 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 0.00 150 R 7.81 4.15 0.00 0.96 1.10 0.00 3.26 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 151 Y 6.91 4.81 0.00 2.97 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 0.00 152 T 7.42 4.52 4.39 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 1.35 0.00 0.00 153 N 8.42 4.73 0.00 2.91 2.67 0.00 0.00 6.76 7.72 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 0.00 154 A 8.64 5.23 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 0.00 155 T 8.55 4.68 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 1.24 0.00 0.00 156 F 9.53 5.55 0.00 3.30 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 0.00 157 T 7.86 4.76 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 1.27 0.00 0.00 158 P 0.00 3.84 0.00 1.67 1.76 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 159 N 7.77 4.66 0.00 2.61 2.69 0.00 0.00 7.17 7.21 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 0.00 160 P 0.00 4.22 0.00 2.15 2.00 0.00 3.59 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 2.04 1.99 0.00 161 A 7.46 3.79 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 0.00 162 A 7.81 4.56 1.23 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 0.00 0.00 163 P 0.00 4.20 0.00 1.80 1.86 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 164 Y 8.25 3.98 0.00 3.32 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 0.00 165 T 7.14 5.19 4.46 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 1.34 0.00 0.00 166 F 9.31 5.20 0.00 2.65 2.28 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 0.00 167 T 8.78 5.34 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 1.34 0.00 0.00 168 L 8.67 5.16 0.00 2.16 1.69 0.89 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.96 4.73 0.00 1.58 1.48 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.27 7.81 170 C 8.05 5.14 0.00 2.27 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 0.00 171 T 8.50 5.28 4.28 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 1.20 0.00 0.00 172 S 8.22 4.93 0.00 3.68 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 0.00 173 T 8.52 5.27 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 1.36 0.00 0.00 174 R 8.68 4.35 0.00 2.09 2.04 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 175 P 0.00 4.67 0.00 1.90 1.53 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 *188 D 7.59 4.43 0.00 2.71 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 0.00 189 E 7.91 5.86 0.00 2.11 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 2.10 0.00 190 T 8.05 4.41 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 1.27 0.00 0.00 191 F 9.07 5.08 0.00 2.97 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 0.00 192 E 9.16 5.36 0.00 2.20 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 2.25 1.70 0.00 193 W 7.67 4.40 0.00 3.21 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 0.00 194 T 8.25 5.19 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 1.11 0.00 0.00 195 V 8.08 4.24 1.77 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 0.83 0.00 0.00 0.81 0.00 0.00 196 E 8.24 4.69 0.00 1.74 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 2.16 2.22 0.00 197 F 9.49 4.53 0.00 3.29 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 0.00 198 D 9.34 4.89 0.00 2.91 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 0.00 199 V 8.58 3.73 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 0.96 0.00 0.00 1.00 0.00 0.00 200 A 8.28 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.28 4.04 0.00 2.28 2.20 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 2.39 2.84 0.00 202 S 8.52 4.42 0.00 4.25 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.38 3.88 0.00 1.59 1.80 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *205 L 8.05 4.36 0.00 2.11 1.81 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 8.70 3.94 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 207 R 8.49 4.00 0.00 1.77 1.95 0.00 3.32 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 208 F 8.28 4.26 0.00 3.07 3.25 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 0.00 209 L 8.85 4.05 0.00 1.80 1.82 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.03 3.82 4.38 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 1.16 0.00 0.00 211 Q 8.26 4.21 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 212 A 8.27 3.85 1.16 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 0.00 213 L 7.90 3.95 0.00 1.87 1.80 0.95 0.99 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 0.00 214 H 8.28 4.18 0.00 3.27 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 8.24 4.06 0.00 3.12 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 0.00 216 N 8.74 4.37 0.00 2.97 2.88 0.00 0.00 7.28 7.62 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 0.00 217 T 8.45 3.96 4.35 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 0.77 0.00 0.00 218 G 8.35 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 219 F 7.94 4.18 0.00 2.72 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 0.00 220 A 7.09 4.54 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 0.00 221 R 8.80 4.27 0.00 1.91 2.22 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.