NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4945 8.2893 118.2026 54.6170 33.2951 175.4844 2 S 4.2607 7.8486 114.4163 57.7666 64.2590 172.2673 3 Q 4.5121 8.4793 121.0658 55.8219 31.1771 176.4014 4 V 5.1181 8.6028 120.9208 61.3098 35.1227 174.3100 5 F 5.5598 9.0822 119.3774 55.2731 41.9828 173.1904 6 F 5.7170 9.3471 118.6431 56.1101 42.2540 173.9678 7 D 5.5174 9.5810 123.6034 52.8456 42.8907 175.4387 8 V 4.7702 9.2174 124.2676 61.0135 34.6133 173.6285 9 E 5.1245 9.0838 129.6916 55.1221 31.1609 174.1602 10 Y 5.1068 8.3285 122.9543 56.2025 41.9580 172.9173 11 A 4.9904 8.4431 122.5057 48.8102 20.7100 175.4263 12 P 4.4952 0.0000 0.0000 62.4130 32.1809 176.3085 13 V 3.7592 8.3086 120.3478 63.6225 31.3683 176.7558 14 G 3.9946 9.1183 110.6292 45.7391 0.0000 173.0139 15 T 4.6669 7.6090 107.8579 59.6078 71.7338 173.9014 16 A 4.2067 8.4905 125.2894 54.1783 19.5638 177.6643 17 E 4.2651 7.9836 118.3343 56.2197 30.5801 176.6763 18 T 4.5913 8.4669 117.5794 61.4103 70.4846 173.4308 19 K 4.6238 8.6862 121.6352 55.3391 37.0312 174.7356 20 V 4.7621 8.2790 119.6016 61.0101 33.7446 174.6118 21 G 4.4136 9.3604 115.2279 44.4613 0.0000 171.5202 22 R 5.3301 8.6542 123.4706 54.5685 32.1909 175.1843 23 I 4.3463 9.0912 126.9524 59.5451 39.9914 174.5213 24 V 4.5941 8.6010 127.9000 61.2317 33.7324 174.5524 25 F 5.3342 9.3271 125.2986 55.7825 42.9972 173.5334 26 N 5.1338 8.8536 119.5228 51.8863 40.3291 174.1335 27 L 4.5140 8.3732 123.0581 52.4569 44.0525 177.2934 28 F 5.0111 8.0267 122.7868 56.5577 37.8910 177.1807 29 D 4.5338 7.9322 122.3792 57.2624 41.5589 179.9401 30 K 4.0817 8.1190 117.7174 59.3230 32.5665 178.1798 31 D 4.5298 8.2845 117.6032 57.0832 41.3511 177.4413 32 V 4.5082 7.8209 112.2917 57.7638 32.5039 173.9752 33 P 4.4650 0.0000 0.0000 65.3377 31.5205 178.8732 34 K 3.9487 7.9673 117.8829 59.2023 31.9906 179.4346 35 T 3.6823 7.7545 115.3314 66.5381 68.5095 176.5568 36 A 4.0054 7.9050 122.7252 54.8799 18.2891 179.6010 37 K 3.8892 8.3556 118.4872 59.5919 32.2352 178.4037 38 N 4.2071 8.1172 117.3054 56.6973 38.8442 176.4337 39 F 4.2616 8.0573 121.7989 61.5612 39.2863 177.2103 40 R 3.9797 8.0850 116.2219 59.2828 30.0808 178.6364 41 E 4.0586 8.4949 118.6103 59.5450 29.4723 179.5164 42 L 3.6823 7.8919 119.0003 57.6100 41.2084 179.1586 43 C 4.1096 7.7087 118.1145 62.0137 31.5659 175.0878 44 K 4.1932 7.4209 117.7652 56.6731 32.2994 177.6165 45 R 4.0985 7.0991 117.7071 54.9303 30.9931 174.6451 46 P 4.3266 0.0000 0.0000 62.0381 32.0354 175.9404 47 A 4.8290 7.7551 122.5827 53.6307 18.5719 177.7097 48 G 4.0939 9.2341 110.0772 45.0796 0.0000 174.0007 49 E 4.5873 8.0151 115.8992 55.6422 31.9207 175.4612 50 G 4.0694 7.4655 106.4571 44.2547 0.0000 171.6023 51 Y 4.3599 8.0083 115.8055 60.4685 38.4554 176.3058 52 R 4.1305 7.7476 121.0170 57.6029 30.4544 176.7116 53 E 3.9311 9.5653 125.1642 56.2900 28.0855 174.6135 54 S 4.6587 7.8827 114.9168 58.0824 64.9939 172.8285 55 T 4.7845 8.0890 109.5671 59.6838 72.1203 173.0100 56 F 5.0386 8.3253 121.0290 57.1380 38.9379 176.1868 57 H 4.5617 8.8827 121.8705 57.5190 29.4156 176.1492 58 R 4.9969 7.6737 116.7554 54.5877 34.7243 174.6833 59 I 4.8760 8.7671 123.0577 60.1583 42.3902 173.7848 60 I 5.0138 8.6134 127.3615 58.5670 40.4219 173.5582 61 P 4.3734 0.0000 0.0000 64.3707 31.6613 176.4655 62 N 4.4468 9.0624 117.0528 53.5697 36.2114 173.8812 63 F 5.0864 7.8981 118.5244 59.2228 42.1992 173.9550 64 M 4.5298 8.0138 118.9148 54.0220 35.8962 172.8304 65 I 4.7342 7.9141 123.5078 59.3623 40.8209 174.4167 66 Q 4.5520 8.9269 127.5445 54.4207 31.8664 174.8691 67 G 4.5641 8.3764 113.4273 44.8126 0.0000 170.4372 68 G 4.4071 8.9879 108.2521 45.5822 0.0000 174.0220 *96 D 4.3826 7.6845 117.6658 53.1388 41.9546 175.4852 97 K 4.1886 8.5269 123.4167 56.9521 33.6701 176.3956 98 K 4.6157 8.4561 120.4094 54.8995 36.9194 175.0379 99 G 4.2555 8.7763 111.2874 44.6783 0.0000 172.1623 100 I 4.5767 8.8638 127.9788 59.4814 39.5361 174.6031 101 L 5.2390 8.4995 128.6265 53.7140 43.3115 175.4529 102 S 4.8972 9.3168 119.8188 57.0669 67.1270 172.2112 103 M 5.2479 8.6805 119.7195 54.1955 33.9266 175.4789 104 A 4.1338 8.5778 128.9461 54.9865 19.0463 179.1026 *113 S 4.4406 7.8083 106.8069 57.4918 64.9552 173.6465 114 Q 4.0219 7.9363 124.3373 56.4510 29.5984 174.8405 115 F 5.6052 7.7931 120.0909 55.2523 41.6792 173.7872 116 F 4.9119 9.6450 117.5815 55.8018 43.2646 174.0097 117 I 5.0921 8.6699 122.1891 60.0242 39.4646 175.0225 118 T 4.8274 9.1094 124.2054 61.8605 71.5905 174.8124 119 T 5.0163 8.9851 112.5633 60.2088 69.9004 173.2619 120 A 4.5637 7.5817 123.2317 51.5630 22.7581 176.0406 121 V 2.9223 8.1069 110.7433 62.0548 29.2545 176.2330 122 T 3.9926 7.5445 111.8859 64.4914 68.9356 175.5125 123 S 4.2904 8.0897 116.8658 60.9364 62.7075 175.5655 124 W 4.7961 8.0579 120.5722 57.7737 28.9605 177.9681 125 L 4.2887 7.9286 120.0679 57.1407 41.2086 177.6556 126 D 4.8984 7.9200 113.7197 52.4702 40.2691 174.7595 127 G 4.4959 7.9746 106.4291 42.9059 0.0000 172.4905 128 K 4.3965 8.3472 120.5418 55.1398 33.4053 175.5272 129 H 4.6405 8.0872 119.1267 53.4305 31.3017 172.7349 130 V 4.0285 7.9427 120.7282 60.8248 32.9855 175.1644 131 V 3.8543 8.2418 128.1190 62.5602 31.7757 175.1727 132 F 4.9702 8.1184 120.1921 55.7323 38.7720 174.1770 133 G 2.9530 6.7594 108.7058 45.1438 0.0000 172.1024 134 E 4.7146 7.9340 116.1917 54.2247 33.3948 175.0379 135 V 4.0210 8.4300 121.5317 63.1509 31.4787 175.8879 136 A 4.3657 9.0846 131.1796 54.5157 19.1210 176.6135 137 D 4.6688 7.7232 112.9273 50.9930 42.6515 176.0781 138 E 3.9773 8.7966 118.8094 59.2843 29.4090 179.4353 139 K 3.9252 8.0790 119.1849 59.7263 32.2776 178.7410 140 S 4.2509 8.9282 115.6852 61.8122 62.6477 176.0508 141 Y 4.0105 8.2997 122.5367 60.7560 38.5410 178.3581 142 S 4.0557 8.5092 115.3803 61.3264 62.8838 176.7859 143 V 3.5963 7.7338 121.6122 65.7686 31.2928 177.9634 144 V 3.4451 7.7595 118.0956 66.1354 31.4035 178.1334 145 K 3.9464 7.8812 118.1247 59.3676 31.5780 179.2182 146 E 3.9769 7.9514 117.9008 59.4928 29.6960 179.1958 147 I 3.4900 7.6898 119.9501 64.2751 36.7491 178.1660 148 E 3.8553 8.4429 119.6181 59.4725 29.0652 179.2004 149 A 4.1743 7.6740 118.8471 54.1865 18.6528 178.0462 150 L 4.2575 8.0105 116.6841 55.2667 42.4374 177.2506 151 G 4.3765 7.6088 108.8993 44.7955 0.0000 172.2982 152 S 4.6307 7.6650 111.0117 56.8140 66.2081 175.0220 153 S 4.1752 8.6864 114.9797 61.3244 62.5239 175.7766 154 S 4.2217 7.9502 113.8881 59.1086 63.4468 174.9740 155 G 4.3086 8.1739 110.0849 45.4517 0.0000 173.4340 156 S 4.3716 7.8093 115.3771 57.8491 62.8788 173.3265 157 V 4.0924 8.2540 127.8314 62.7860 31.9984 175.8519 158 R 4.0275 8.8472 127.5552 59.3528 30.1621 177.5091 159 S 4.1876 8.0203 110.8372 58.6236 62.5644 173.8730 160 N 4.5522 8.6999 122.5452 54.3286 37.5292 174.8315 161 T 4.5307 7.6150 116.0452 61.6606 70.9928 174.0580 162 R 4.1893 8.4562 125.7485 55.0037 31.1707 174.7699 163 P 4.5909 0.0000 0.0000 63.0530 32.6425 175.0725 164 K 4.6627 8.6223 124.4734 54.3339 35.6505 175.1418 165 I 4.1887 8.3035 128.5135 61.4841 36.9594 176.8062 166 V 3.4251 8.6321 121.7646 62.8020 32.5194 176.2705 167 N 5.0413 7.9569 117.4652 52.8389 42.2985 172.8465 168 C 4.7099 8.0127 123.0631 57.8049 35.0795 173.9874 169 G 3.7745 6.3932 110.9441 46.0552 0.0000 171.5222 170 E 5.2956 8.8485 118.1639 54.6547 32.1307 176.1258 171 L 4.4384 9.0666 121.1951 55.0305 42.0306 176.5048 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 M 8.29 4.49 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 2 S 7.85 4.26 0.00 4.19 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 3 Q 8.48 4.51 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 4 V 8.60 5.12 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 0.97 0.00 0.00 1.09 0.00 0.00 5 F 9.08 5.56 0.00 3.24 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 6 F 9.35 5.72 0.00 3.17 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 7 D 9.58 5.52 0.00 2.75 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 8 V 9.22 4.77 2.33 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 1.02 0.00 0.00 1.17 0.00 0.00 9 E 9.08 5.12 0.00 2.05 1.78 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 2.21 2.31 0.00 10 Y 8.33 5.11 0.00 3.08 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 11 A 8.44 4.99 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 12 P 0.00 4.50 0.00 2.23 2.10 0.00 3.68 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 2.10 2.16 0.00 13 V 8.31 3.76 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 0.72 0.00 0.00 0.95 0.00 0.00 14 G 9.12 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 15 T 7.61 4.67 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 1.26 0.00 0.00 16 A 8.49 4.21 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 17 E 7.98 4.27 0.00 2.05 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 2.32 2.27 0.00 18 T 8.47 4.59 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 1.18 0.00 0.00 19 K 8.69 4.62 0.00 1.59 1.71 0.00 1.05 0.00 0.00 1.17 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.80 0.66 7.81 20 V 8.28 4.76 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 0.91 0.00 0.00 21 G 9.36 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 5.33 0.00 1.96 1.82 0.00 3.01 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.93 0.00 23 I 9.09 4.35 1.76 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.23 0.00 0.00 24 V 8.60 4.59 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 0.90 0.00 0.00 0.91 0.00 0.00 25 F 9.33 5.33 0.00 2.76 2.65 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 26 N 8.85 5.13 0.00 2.57 2.71 0.00 0.00 6.93 6.35 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 27 L 8.37 4.51 0.00 1.68 1.58 1.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.03 5.01 0.00 3.07 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 29 D 7.93 4.53 0.00 2.84 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 30 K 8.12 4.08 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 31 D 8.28 4.53 0.00 2.92 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 32 V 7.82 4.51 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 0.76 0.00 0.00 1.19 0.00 0.00 33 P 0.00 4.47 0.00 2.26 2.42 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 34 K 7.97 3.95 0.00 1.79 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.52 7.81 35 T 7.75 3.68 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 0.68 0.00 0.00 36 A 7.90 4.01 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 37 K 8.36 3.89 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 38 N 8.12 4.21 0.00 2.92 2.90 0.00 0.00 6.90 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 39 F 8.06 4.26 0.00 2.92 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 40 R 8.09 3.98 0.00 2.03 2.03 0.00 3.29 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 41 E 8.49 4.06 0.00 2.08 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 2.30 2.53 0.00 42 L 7.89 3.68 0.00 1.02 0.26 0.70 0.72 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 43 C 7.71 4.11 0.00 2.89 3.07 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 44 K 7.42 4.19 0.00 1.81 1.81 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 R 7.10 4.10 0.00 1.67 1.77 0.00 3.30 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 46 P 0.00 4.33 0.00 2.14 1.95 0.00 3.57 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 2.08 2.06 0.00 47 A 7.76 4.83 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 48 G 9.23 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 49 E 8.02 4.59 0.00 2.01 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 0.00 2.19 2.17 0.00 50 G 7.47 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 51 Y 8.01 4.36 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.13 0.00 1.81 1.78 0.00 3.23 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 E 9.57 3.93 0.00 2.09 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 2.18 2.35 0.00 54 S 7.88 4.66 0.00 3.94 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 55 T 8.09 4.78 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 1.10 0.00 0.00 56 F 8.33 5.04 0.00 2.90 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 57 H 8.88 4.56 0.00 3.16 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.67 5.00 0.00 1.63 1.72 0.00 3.31 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 59 I 8.77 4.88 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.92 0.00 0.00 60 I 8.61 5.01 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 1.07 0.00 0.00 61 P 0.00 4.37 0.00 2.19 2.00 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 62 N 9.06 4.45 0.00 2.92 2.98 0.00 0.00 6.95 7.45 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 63 F 7.90 5.09 0.00 2.87 3.05 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 64 M 8.01 4.53 0.00 1.40 0.57 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 65 I 7.91 4.73 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.56 -0.17 0.00 0.00 66 Q 8.93 4.55 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 67 G 8.38 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.68 4.38 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 97 K 8.53 4.19 0.00 1.86 1.82 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 98 K 8.46 4.62 0.00 1.68 1.68 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.63 7.81 99 G 8.78 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 0.00 0.00 0.00 0.00 100 I 8.86 4.58 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.00 0.95 0.00 0.00 101 L 8.50 5.24 0.00 1.64 1.57 0.89 0.78 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 0.00 102 S 9.32 4.90 0.00 3.95 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 0.00 103 M 8.68 5.25 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 104 A 8.58 4.13 1.57 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 0.00 0.00 *113 S 7.81 4.44 0.00 4.08 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 0.00 114 Q 7.94 4.02 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 115 F 7.79 5.61 0.00 3.07 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 0.00 116 F 9.65 4.91 0.00 3.05 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 0.00 117 I 8.67 5.09 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.96 0.00 0.00 118 T 9.11 4.83 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 1.24 0.00 0.00 119 T 8.99 5.02 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 1.22 0.00 0.00 120 A 7.58 4.56 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 0.00 121 V 8.11 2.92 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 -0.12 0.00 0.00 0.39 0.00 0.00 122 T 7.54 3.99 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 1.29 0.00 0.00 123 S 8.09 4.29 0.00 4.20 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 0.00 124 W 8.06 4.80 0.00 3.33 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 0.00 125 L 7.93 4.29 0.00 1.74 1.75 0.97 0.97 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 0.00 126 D 7.92 4.90 0.00 2.74 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 0.00 127 G 7.97 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.35 4.40 0.00 1.70 1.67 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.34 7.81 129 H 8.09 4.64 0.00 2.24 1.83 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.94 4.03 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 0.82 0.00 0.00 0.85 0.00 0.00 131 V 8.24 3.85 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 0.98 0.00 0.00 0.82 0.00 0.00 132 F 8.12 4.97 0.00 3.10 3.07 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 0.00 133 G 6.76 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 0.00 0.00 0.00 134 E 7.93 4.71 0.00 2.02 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 2.16 2.22 0.00 135 V 8.43 4.02 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 0.76 0.00 0.00 0.99 0.00 0.00 136 A 9.08 4.37 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 0.00 137 D 7.72 4.67 0.00 2.85 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 0.00 138 E 8.80 3.98 0.00 2.04 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 0.00 2.34 2.34 0.00 139 K 8.08 3.93 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.56 7.81 140 S 8.93 4.25 0.00 4.00 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 0.00 141 Y 8.30 4.01 0.00 3.05 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 0.00 142 S 8.51 4.06 0.00 4.12 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 0.00 143 V 7.73 3.60 2.24 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 1.18 0.00 0.00 1.06 0.00 0.00 144 V 7.76 3.45 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 0.87 0.00 0.00 0.92 0.00 0.00 145 K 7.88 3.95 0.00 1.72 1.69 0.00 1.49 0.00 0.00 1.12 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.54 1.18 7.81 146 E 7.95 3.98 0.00 2.15 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 0.00 2.41 2.54 0.00 147 I 7.69 3.49 1.80 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 0.41 -0.22 0.89 0.00 0.00 148 E 8.44 3.86 0.00 2.07 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 2.22 2.36 0.00 149 A 7.67 4.17 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 0.00 150 L 8.01 4.26 0.00 1.88 1.73 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.61 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 0.00 0.00 0.00 0.00 152 S 7.66 4.63 0.00 3.94 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 0.00 153 S 8.69 4.18 0.00 4.01 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 0.00 154 S 7.95 4.22 0.00 4.01 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 0.00 155 G 8.17 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 0.00 0.00 0.00 0.00 156 S 7.81 4.37 0.00 3.90 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 0.00 157 V 8.25 4.09 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 0.93 0.00 0.00 1.00 0.00 0.00 158 R 8.85 4.03 0.00 1.97 1.98 0.00 3.41 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 159 S 8.02 4.19 0.00 3.86 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 0.00 160 N 8.70 4.55 0.00 2.86 2.93 0.00 0.00 5.88 7.71 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 0.00 161 T 7.61 4.53 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 1.21 0.00 0.00 162 R 8.46 4.19 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 163 P 0.00 4.59 0.00 2.07 2.01 0.00 3.58 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 2.23 2.16 0.00 164 K 8.62 4.66 0.00 1.70 1.51 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.43 7.81 165 I 8.30 4.19 1.75 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.02 0.70 0.00 0.00 166 V 8.63 3.43 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 0.65 0.00 0.00 0.99 0.00 0.00 167 N 7.96 5.04 0.00 2.92 2.99 0.00 0.00 6.63 7.65 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 0.00 168 C 8.01 4.71 0.00 2.96 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 0.00 169 G 6.39 3.77 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 0.00 0.00 0.00 170 E 8.85 5.30 0.00 2.02 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 2.29 2.32 0.00 171 L 9.07 4.44 0.00 1.71 1.57 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.