NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3158 8.2644 123.5906 51.7778 19.8820 176.1586 3 S 4.1659 8.4242 117.0042 56.2309 63.0307 167.7229 4 V 4.8582 8.0497 126.7063 59.8994 35.2606 174.2867 5 R 4.7388 9.1133 120.1888 54.5298 32.4395 174.5826 6 I 5.0949 8.3196 121.9953 59.7812 38.9656 175.0360 7 R 4.8405 8.9149 122.6266 54.0005 33.5653 174.3013 8 E 4.5713 8.9002 119.2344 56.4030 29.9099 177.1659 9 A 4.5044 9.0958 126.5640 52.3228 19.4130 176.9360 10 K 4.6770 9.6113 119.0811 53.9785 35.7425 177.1519 11 E 2.5400 8.0135 121.3969 58.9562 29.2929 179.1608 12 G 3.7221 7.6392 104.7502 47.2383 0.0000 173.9934 13 D 4.6140 8.2333 120.0794 55.3052 40.9627 177.9881 14 C 4.3175 7.9780 118.6227 62.4751 28.0048 175.8479 15 G 3.7184 8.1138 106.9952 48.1753 0.0000 175.2858 16 D 4.4006 8.0468 121.1385 56.8744 40.8829 178.6997 17 I 3.7144 8.1416 120.7786 64.3569 37.0426 178.2346 18 L 3.8778 8.1411 121.3104 58.0416 41.8876 178.8057 19 R 3.9038 8.2450 118.8616 59.5399 30.0108 178.5104 20 L 4.1803 8.1898 118.6306 57.8548 41.7116 179.4550 21 I 3.6861 7.9612 119.7762 64.6354 37.0007 178.7623 22 R 3.9575 8.3027 119.0632 59.1230 29.7541 179.0302 23 E 3.9862 8.2890 118.5601 59.2079 29.5096 178.9631 24 L 3.8472 7.5909 120.0270 58.1802 42.0859 178.9042 25 A 3.9964 7.9726 120.5235 55.1322 18.3381 179.1868 26 E 3.9664 8.4881 119.5044 58.8652 29.5095 178.6874 27 F 4.2842 8.2784 119.7221 61.2905 39.5150 176.0867 28 E 4.0284 8.0988 114.8193 55.2905 29.6861 176.3994 29 K 3.8945 7.8972 117.4352 57.8507 30.2555 175.4057 30 L 4.8662 8.2859 114.8560 54.4039 42.8894 179.4093 31 S 4.1131 8.5036 117.6385 62.0866 62.8103 176.6216 32 D 4.5198 7.9708 117.6575 56.4601 40.6988 177.0408 33 Q 4.0951 7.9911 117.3425 56.7451 29.1236 176.1055 34 V 3.8789 7.4481 118.0023 62.2632 30.8046 175.3627 35 K 4.3944 8.3181 126.4577 56.4538 33.5943 177.1651 36 I 3.8300 7.6058 118.6487 60.7971 38.7132 175.0609 37 S 4.8349 8.0567 118.9737 55.8779 67.2417 174.7195 38 E 3.9497 8.5563 122.3945 59.5077 29.4120 178.7424 39 E 3.9657 8.1844 118.0186 59.1732 29.4531 179.0917 40 A 3.9422 8.0396 120.8108 55.2577 18.0793 179.4689 41 L 3.9150 7.9396 117.5255 58.1950 41.5383 180.2273 42 R 4.1891 8.3898 117.5898 59.4044 29.9110 178.9816 43 A 4.0824 8.3050 119.4825 55.3178 18.7428 179.0016 44 D 4.7623 9.3252 117.5198 55.9207 40.8529 178.1387 45 G 3.1408 7.7069 103.6973 44.1052 0.0000 173.9925 46 F 4.7494 7.6779 116.8074 56.9020 41.2201 175.2074 47 G 4.2684 7.6983 111.2416 44.6017 0.0000 173.3688 48 D 4.4831 8.7769 118.2966 56.7936 41.2780 176.4902 49 N 4.9006 7.5659 115.3127 49.8813 38.6763 171.8557 50 P 4.4396 0.0000 0.0000 62.6956 32.1854 177.8794 51 F 4.1587 9.1987 119.9744 60.0306 39.1692 174.7867 52 Y 5.0950 6.9977 116.3214 56.2006 40.9295 173.6065 53 H 4.6477 9.2251 116.3809 53.9892 33.0998 172.5323 54 C 5.3061 8.3308 119.5365 57.9687 35.2115 172.3631 55 L 5.3277 9.2245 125.9327 53.3599 43.9399 175.8667 56 V 5.0703 8.8561 115.6451 59.5972 35.3865 174.3555 57 A 5.0878 8.8592 125.9393 50.5892 20.8513 175.7368 58 E 4.8841 9.2211 123.8959 54.8302 32.5938 176.2844 59 I 4.0612 8.6252 128.6999 63.5490 37.7696 176.0113 *70 C 4.1229 7.8507 121.6036 58.9443 32.0817 172.5058 71 V 4.2661 8.3410 127.2495 62.6705 31.2875 175.5248 72 V 4.3212 8.3973 119.2143 60.4234 33.5973 175.0643 73 G 3.9967 7.7549 106.9389 46.4271 0.0000 171.8564 74 Y 5.5084 8.1814 118.0758 55.7325 42.1752 173.9265 75 G 4.6797 9.7520 107.0894 44.6659 0.0000 171.5047 76 I 5.3335 9.2984 125.8990 59.6567 40.3152 174.4137 77 Y 5.2647 8.7739 124.3141 55.9288 42.2190 173.0820 78 Y 5.1466 8.0740 116.3036 56.1026 41.8192 173.8487 79 F 5.2035 9.0886 118.8472 56.8084 40.5709 175.2712 80 I 4.8025 9.3121 114.4688 59.4708 41.4941 173.8607 81 Y 4.5725 8.6597 124.6503 56.1641 39.5840 174.7738 82 S 4.5689 8.2740 124.1208 57.6514 63.8924 175.8333 83 T 4.3817 8.6013 114.0780 62.8698 69.2155 175.1082 84 W 4.7626 8.2457 131.8685 59.3914 31.2192 176.7249 85 K 4.3464 7.9155 112.5725 55.2661 34.0062 177.9188 86 G 3.1932 8.1326 107.2400 44.5545 0.0000 173.4787 87 R 4.5161 8.2457 122.2128 56.9427 30.7777 176.6176 88 T 4.8337 9.0683 119.8264 61.8253 73.2230 172.8614 89 I 4.1380 8.4059 125.6083 60.0752 40.0764 173.7398 90 Y 4.6176 8.2878 129.1815 55.5014 41.7359 173.7318 91 L 4.2515 7.7466 129.9848 54.3147 42.0011 175.7431 92 E 4.5091 9.1188 129.1727 58.9133 30.6138 176.1915 93 D 4.7729 7.7185 115.4073 53.4271 44.7767 174.4782 94 I 5.0972 8.5054 125.0334 59.7894 40.7952 174.0311 95 Y 4.7716 8.2088 127.0958 54.6616 42.3125 173.1299 96 V 4.6972 7.2748 124.2211 61.1661 31.7074 175.0409 *98 P 4.3363 0.0000 0.0000 62.2009 32.7387 178.1297 99 E 3.7822 8.1758 116.2580 58.9147 29.3845 177.1490 100 Y 4.4392 7.6263 113.3606 57.5061 38.0959 175.8032 101 R 3.9923 7.6960 120.5796 57.2399 30.6088 177.8935 102 G 3.8331 8.6809 106.7589 46.1454 0.0000 174.1507 103 Q 4.3424 7.5816 117.0371 55.3072 29.1207 176.6483 104 G 3.9665 8.1636 106.3509 46.1922 0.0000 175.8074 105 I 3.7671 7.7506 121.8586 64.2207 37.0938 178.3022 106 G 3.6369 8.0358 106.0652 47.9564 0.0000 175.7675 107 S 4.1690 7.9890 116.9808 61.2805 63.0312 176.6668 108 K 3.9859 8.2836 121.3622 59.4712 31.7682 179.4857 109 I 3.7385 7.9429 120.0242 64.4709 36.9862 178.5889 110 I 3.7467 7.7624 120.6504 64.1456 36.9479 178.0970 111 K 3.7263 8.0326 120.5393 59.6945 31.9290 178.6004 112 K 3.9586 7.9827 119.3818 59.4348 32.1640 178.9540 113 V 3.2724 8.0011 118.4138 65.7806 31.4702 177.8191 114 A 4.2727 8.3984 120.8023 55.3856 18.1215 179.4775 115 E 3.9406 8.3060 117.0621 59.3401 29.5614 179.7642 116 V 3.5486 7.7525 118.1856 65.8072 31.5330 177.7107 117 A 4.1442 7.7857 120.3427 55.4571 18.1570 179.6143 118 L 4.0437 7.8450 117.0921 58.0851 41.4953 179.3168 119 D 4.3303 8.1981 116.9393 56.8819 41.1998 177.5386 120 K 4.3260 7.8597 116.0270 55.5727 32.5108 176.6627 121 G 3.8203 8.2665 107.6307 46.9555 0.0000 173.2413 122 C 4.8547 8.4964 119.4111 57.2413 33.8816 173.3668 123 S 4.7103 8.6952 119.1657 57.9122 63.4745 172.9423 124 Q 4.5712 7.9253 120.5727 54.7542 30.4885 174.2066 125 F 5.0588 8.6781 125.6027 56.3550 42.2147 173.7207 126 R 4.8346 8.7177 126.0900 54.7513 33.7382 173.5991 127 L 3.9705 8.0835 122.9614 54.8906 43.5049 173.7065 128 A 4.8556 8.2995 121.4067 50.2117 21.3959 175.8954 129 V 4.3700 8.0322 120.2105 60.6518 34.6665 175.4439 130 L 4.0620 7.8626 126.6425 54.2859 42.0912 177.6917 131 D 4.4259 8.3409 121.1803 54.8620 39.6690 177.4365 132 W 4.3183 7.5370 116.5988 58.7566 28.9945 176.4510 133 N 4.6125 6.9499 120.2365 52.0734 36.6370 174.0648 134 Q 4.0358 7.9418 122.4242 59.0026 30.4321 177.1610 135 R 3.9492 8.3394 116.4932 59.5281 30.1935 179.2296 136 A 3.3152 7.7335 116.0574 52.9255 17.9054 178.7715 *138 D 4.4877 8.1904 120.6156 55.7045 43.0748 177.9747 139 L 3.9075 7.6388 120.1112 58.2138 41.9832 178.5080 140 Y 4.3281 7.8536 117.0027 61.2168 37.8255 178.7504 141 K 4.2138 8.4146 119.9056 58.9893 31.9746 179.0910 142 A 4.0523 7.8931 119.7886 54.9266 18.3514 179.1681 143 L 4.1808 7.8011 116.1721 55.3900 41.9105 177.7719 144 G 4.0098 7.6442 105.5015 45.0315 0.0000 174.1699 145 A 4.1676 8.3718 123.4266 51.9293 19.0582 176.6081 146 Q 4.6563 8.2430 118.6212 53.9540 31.1811 175.5369 147 D 4.6386 8.5396 122.2097 53.3481 40.8671 176.6792 148 L 4.5786 8.5382 128.2209 57.9461 42.5117 180.2013 149 T 4.3932 8.3402 114.8062 66.3826 68.7481 176.2094 150 E 3.8511 8.7261 120.4460 59.3447 29.8967 177.5918 151 A 4.2055 8.5660 120.7276 55.1213 18.3719 178.2664 152 E 4.4739 8.4085 111.5094 55.5651 30.7006 177.2869 153 G 3.8940 8.3801 106.9080 45.5572 0.0000 173.8786 154 W 4.2838 8.1924 120.1582 57.0785 29.4474 174.7312 155 H 5.1738 9.0137 120.3051 53.8778 30.6243 173.7401 156 F 4.6443 9.0682 126.0439 57.6374 39.3613 174.6066 157 F 4.8731 8.8840 126.7738 55.8868 41.1827 174.9457 158 C 4.7259 8.2952 122.7180 57.8416 34.0789 173.4268 159 F 4.4886 9.0340 126.3766 56.7402 38.5504 176.0350 160 Q 4.6184 8.4266 126.9547 54.7644 32.0764 176.3383 161 G 3.6056 8.5553 106.0043 48.4817 0.0000 175.4788 162 E 3.9345 8.1626 121.2062 58.9077 29.8158 178.4026 163 A 4.0768 8.0823 120.3197 55.6087 18.4886 179.5515 164 T 3.8166 8.3315 114.3791 66.8978 68.5335 176.9683 165 R 3.9284 8.0314 119.9111 59.1426 30.0990 179.0163 166 K 3.9145 8.2728 119.2640 59.5830 32.0462 178.5797 167 L 3.9685 7.8219 117.5960 57.9199 41.7119 178.9188 168 A 4.2714 7.9022 117.1998 52.3771 18.4694 177.5479 169 G 3.7653 8.1527 105.3598 46.1234 0.0000 174.1791 170 K 4.1667 8.0254 124.5234 56.1236 32.2025 176.6784 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 2 A 8.26 4.32 1.41 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 3 S 8.42 4.17 0.00 3.96 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 4 V 8.05 4.86 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 0.82 0.00 0.00 0.95 0.00 0.00 5 R 9.11 4.74 0.00 1.86 2.06 0.00 2.75 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 6 I 8.32 5.09 1.90 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 1.41 0.93 0.96 0.00 0.00 7 R 8.91 4.84 0.00 1.87 2.00 0.00 2.82 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 8 E 8.90 4.57 0.00 1.96 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 2.43 2.42 0.00 9 A 9.10 4.50 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.61 4.68 0.00 1.68 1.60 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.36 7.81 11 E 8.01 2.54 0.00 1.26 1.59 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 2.16 2.01 0.00 12 G 7.64 3.72 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 13 D 8.23 4.61 0.00 2.81 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 14 C 7.98 4.32 0.00 3.08 3.02 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 0.00 0.00 0.00 15 G 8.11 3.72 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 16 D 8.05 4.40 0.00 2.91 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 17 I 8.14 3.71 1.98 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 1.40 0.76 0.52 0.00 0.00 18 L 8.14 3.88 0.00 1.80 1.79 0.88 1.18 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 19 R 8.25 3.90 0.00 1.94 2.16 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 20 L 8.19 4.18 0.00 2.27 2.21 1.24 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.96 3.69 1.95 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 1.48 0.87 0.87 0.00 0.00 22 R 8.30 3.96 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 23 E 8.29 3.99 0.00 2.26 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 0.00 2.40 2.51 0.00 24 L 7.59 3.85 0.00 0.60 1.47 1.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.00 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 26 E 8.49 3.97 0.00 2.11 2.23 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 2.37 2.20 0.00 27 F 8.28 4.28 0.00 3.09 3.33 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 28 E 8.10 4.03 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 2.38 2.68 0.00 29 K 7.90 3.89 0.00 1.83 1.83 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.42 7.81 30 L 8.29 4.87 0.00 1.59 1.58 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.50 4.11 0.00 3.88 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 32 D 7.97 4.52 0.00 2.66 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 33 Q 7.99 4.10 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 34 V 7.45 3.88 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 0.74 0.00 0.00 0.92 0.00 0.00 35 K 8.32 4.39 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.33 7.81 36 I 7.61 3.83 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.85 0.00 0.00 37 S 8.06 4.83 0.00 4.02 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 38 E 8.56 3.95 0.00 2.05 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 2.38 2.37 0.00 39 E 8.18 3.97 0.00 2.02 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 2.40 2.33 0.00 40 A 8.04 3.94 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 41 L 7.94 3.91 0.00 1.95 1.90 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.39 4.19 0.00 2.08 2.23 0.00 3.13 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 43 A 8.30 4.08 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 44 D 9.33 4.76 0.00 2.93 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 45 G 7.71 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 0.00 0.00 0.00 46 F 7.68 4.75 0.00 3.13 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 47 G 7.70 4.27 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 0.00 48 D 8.78 4.48 0.00 2.67 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 49 N 7.57 4.90 0.00 2.52 2.57 0.00 0.00 6.90 8.02 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 50 P 0.00 4.44 0.00 1.87 1.71 0.00 3.70 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 1.77 1.75 0.00 51 F 9.20 4.16 0.00 3.02 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 52 Y 7.00 5.10 0.00 2.99 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 53 H 9.23 4.65 0.00 1.56 2.81 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.33 5.31 0.00 3.24 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 55 L 9.22 5.33 0.00 1.80 1.67 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.18 5.51 0.00 3.18 3.15 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 75 G 9.75 4.68 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 0.00 0.00 0.00 76 I 9.30 5.33 1.99 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.94 0.00 0.00 77 Y 8.77 5.26 0.00 2.78 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 78 Y 8.07 5.15 0.00 3.14 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 79 F 9.09 5.20 0.00 3.03 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 80 I 9.31 4.80 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 1.08 0.00 0.00 81 Y 8.66 4.57 0.00 3.07 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 82 S 8.27 4.57 0.00 3.83 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 83 T 8.60 4.38 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 1.39 0.00 0.00 84 W 8.25 4.76 0.00 3.24 3.15 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 85 K 7.92 4.35 0.00 1.48 1.53 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.41 0.76 7.81 86 G 8.13 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 0.00 0.00 0.00 87 R 8.25 4.52 0.00 1.71 1.95 0.00 3.16 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 88 T 9.07 4.83 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 1.16 0.00 0.00 89 I 8.41 4.14 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 0.31 0.61 0.26 0.00 0.00 90 Y 8.29 4.62 0.00 2.82 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 0.00 0.00 0.00 0.00 91 L 7.75 4.25 0.00 1.33 1.34 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.12 4.51 0.00 2.09 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 2.58 2.50 0.00 93 D 7.72 4.77 0.00 2.98 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 94 I 8.51 5.10 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.89 0.00 0.00 95 Y 8.21 4.77 0.00 2.73 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 0.00 0.00 0.00 96 V 7.27 4.70 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 1.06 0.00 0.00 0.80 0.00 0.00 *98 P 0.00 4.34 0.00 2.10 1.90 0.00 3.62 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 1.80 1.81 0.00 99 E 8.18 3.78 0.00 1.70 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 100 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0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.18 0.00 1.81 1.69 0.91 0.94 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 0.00 144 G 7.64 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 0.00 145 A 8.37 4.17 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 0.00 146 Q 8.24 4.66 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 147 D 8.54 4.64 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 0.00 148 L 8.54 4.58 0.00 1.90 2.07 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.34 4.39 4.49 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 1.35 0.00 0.00 150 E 8.73 3.85 0.00 2.09 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 2.37 2.29 0.00 151 A 8.57 4.21 1.49 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 0.00 0.00 152 E 8.41 4.47 0.00 2.54 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 2.44 2.49 0.00 153 G 8.38 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 0.00 154 W 8.19 4.28 0.00 3.58 3.32 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 0.00 155 H 9.01 5.17 0.00 3.43 3.52 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 9.07 4.64 0.00 3.16 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 0.00 157 F 8.88 4.87 0.00 3.00 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 0.00 158 C 8.30 4.73 0.00 3.16 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 0.00 159 F 9.03 4.49 0.00 3.08 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 0.00 160 Q 8.43 4.62 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 161 G 8.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.16 3.93 0.00 2.07 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 2.40 2.39 0.00 163 A 8.08 4.08 1.52 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 0.00 0.00 164 T 8.33 3.82 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 1.21 0.00 0.00 165 R 8.03 3.93 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 166 K 8.27 3.91 0.00 1.85 1.98 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 167 L 7.82 3.97 0.00 1.77 1.65 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.90 4.27 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 0.00 169 G 8.15 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 K 8.03 4.17 0.00 1.76 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.