NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3699 8.0333 117.3831 64.0503 70.7734 176.0959 8 T 3.7216 7.7304 117.6801 65.5092 68.4933 175.8297 9 F 4.2162 8.9814 123.7495 61.1323 39.9600 177.0888 10 R 3.5886 7.7736 117.2455 59.0999 30.1666 178.3002 11 E 3.8742 8.1772 118.5517 59.6753 29.6511 179.3170 12 N 4.2449 8.1449 116.0525 56.3543 38.6186 177.3895 13 I 3.1707 6.9776 120.4211 64.1902 37.0029 178.1306 14 A 3.8918 7.4662 120.8648 55.4331 18.1431 179.4990 15 Q 3.6741 7.8145 117.4703 59.6230 28.8450 178.6351 16 T 3.9494 7.6459 115.7859 66.0957 68.5281 176.3153 17 W 4.1594 8.1452 129.5675 60.5907 30.8840 177.6766 18 Q 4.3998 9.0207 117.5511 57.3828 29.8725 176.5163 19 Q 4.6632 8.1249 116.7168 53.6972 29.1077 173.3744 20 P 4.5221 0.0000 0.0000 62.9274 32.6784 176.6552 21 E 4.6192 9.0479 118.5083 57.2105 31.6604 175.6705 22 H 5.3083 8.1171 114.9630 54.3057 33.9459 171.7619 23 Y 5.5495 8.2276 117.3071 55.6527 41.1399 174.3320 24 D 5.6505 9.6530 119.5925 52.6489 45.6193 174.2732 25 L 5.2613 9.1766 123.3733 53.7306 45.0347 174.5246 26 Y 5.3181 9.4848 123.7710 56.3481 40.9694 174.6428 27 I 5.0186 9.1066 125.0743 58.6707 40.5690 173.4388 28 P 4.8117 0.0000 0.0000 63.4997 31.5205 174.9291 29 A 4.7055 8.9183 123.8863 53.0096 20.8058 176.2345 30 I 4.5269 7.1732 113.1095 60.4031 41.5956 172.6261 31 T 5.4208 8.5773 120.8122 60.3535 70.5761 172.6842 32 W 5.5619 8.9648 123.5488 55.4196 32.3418 173.3780 33 H 4.6943 9.3024 118.3915 55.0458 29.3234 174.8981 34 A 4.0219 7.9817 125.7053 54.1737 18.4675 178.2276 35 R 3.8759 9.1982 119.8677 56.1912 27.9002 176.0662 36 F 4.1571 8.1775 114.5948 58.8297 36.3554 176.3752 37 A 4.0496 7.7903 122.8494 54.5044 18.7672 178.2582 *48 E 4.1451 7.9140 115.9313 55.5178 30.5579 175.6349 49 R 4.2126 8.4928 121.9860 55.2551 30.2881 174.6872 50 P 4.5648 0.0000 0.0000 62.2061 32.0125 176.4288 51 W 4.1798 8.8655 131.5227 58.6344 31.4243 174.3577 52 G 3.3134 7.5487 108.4108 45.5514 0.0000 172.6071 53 G 4.0030 7.1842 106.5581 46.9044 0.0000 171.5941 54 G 4.4388 8.2643 106.5843 45.4797 0.0000 171.8059 55 F 5.9141 8.0562 114.2129 55.9137 42.1589 173.5564 56 G 4.7748 9.1936 105.3247 46.3482 0.0000 171.9505 57 L 5.6606 8.9076 119.6824 53.3089 45.1697 176.2625 58 S 4.9266 8.8851 115.3270 57.9246 67.1102 172.8612 59 R 4.9863 8.2464 115.0325 54.9970 32.8565 173.7341 60 W 5.3765 9.0786 121.4068 55.4567 30.8084 176.4581 61 D 4.8721 9.2902 125.4308 52.0012 40.7476 176.6010 62 E 4.3046 8.7761 115.4614 57.8035 29.6475 177.2560 63 K 4.3711 8.3871 118.0759 56.0285 32.8094 176.9595 64 G 4.0418 8.4227 107.2077 46.0450 0.0000 173.4639 65 N 5.0378 9.6776 118.2787 51.9740 40.8901 173.8128 66 W 4.4674 8.5462 131.4233 56.3459 32.6984 174.7012 67 H 4.8476 8.0463 123.4464 53.7336 31.9790 172.8814 68 G 3.8793 8.0274 109.0189 44.1532 0.0000 171.1585 69 L 5.5511 9.1162 122.3793 52.7981 45.0373 175.3486 70 Y 5.3086 8.4334 120.6262 55.1895 42.2903 174.0588 71 A 4.8829 8.6298 121.3943 50.6038 22.3955 175.1786 72 M 4.9710 9.2568 121.4223 53.2550 37.0740 174.3782 73 A 5.0249 8.4520 121.7480 50.3782 22.6161 175.4125 74 F 5.8116 9.0447 120.0028 55.6410 43.7677 173.4020 75 K 4.9428 9.0177 120.5128 55.0364 34.0305 175.9966 76 D 4.7848 9.0148 127.7247 52.2007 41.4155 176.9475 77 S 3.9572 8.6555 114.0833 61.2027 62.6799 175.3902 78 W 4.4162 8.5108 117.6757 55.8439 29.0537 175.5027 79 N 4.2416 8.2135 114.9535 54.4732 36.0123 174.1709 80 K 4.6829 8.6551 116.6221 53.8010 34.5675 175.8417 81 W 4.7689 8.9583 131.8897 58.5160 31.2750 175.0163 82 E 4.3353 9.2311 127.7790 53.6017 30.8846 172.7302 83 P 4.8367 0.0000 0.0000 62.2250 33.5956 174.9191 84 I 4.9421 8.4015 120.2558 59.6053 41.8871 173.6227 85 A 4.6618 8.8869 129.4210 50.4841 23.1604 175.8398 86 G 3.6769 6.3821 104.5719 46.3170 0.0000 170.9048 87 Y 5.3717 8.5213 120.8914 55.7109 41.6876 175.7275 88 G 4.6233 8.7438 112.9661 44.2277 0.0000 171.5249 89 W 5.5436 8.6155 130.9864 55.5044 34.6985 173.5405 90 E 4.3875 8.3021 125.3052 53.9313 33.1192 174.9540 91 S 4.0951 6.9903 120.1194 58.8111 63.3741 172.9319 92 T 5.3267 9.2243 124.0827 61.5004 71.4167 173.3007 93 W 5.0337 9.5847 135.0000 55.8606 33.9616 174.4457 94 R 5.0567 8.8042 125.1384 52.7464 29.4211 173.3377 95 P 3.8914 0.0000 0.0000 62.9439 32.2062 176.9707 96 L 4.4683 7.0807 118.1712 52.5176 43.8661 176.1017 97 A 3.9223 8.4304 123.0364 55.1042 18.6993 177.4407 98 D 4.6307 8.0361 116.4680 53.0481 40.6576 176.5298 99 E 4.0958 8.5988 125.6045 58.4732 30.0164 177.9379 100 N 4.0157 8.1589 117.7578 55.7807 39.2785 175.2742 101 F 4.7394 7.9058 119.0253 57.5222 40.0842 174.4672 102 H 5.2617 9.0490 118.7124 53.9043 32.1524 172.3361 103 L 5.3764 9.1480 120.7139 53.3012 45.6953 175.6727 104 G 4.6102 8.9988 107.5101 45.0455 0.0000 171.4614 105 L 5.2100 8.6451 122.4462 52.8707 45.8054 173.4091 106 G 4.7639 9.6756 116.9507 46.6568 0.0000 173.2749 107 F 5.5871 8.4831 120.1000 56.3466 41.3700 172.3455 108 T 5.2460 9.7445 113.8599 60.2851 70.6810 172.1240 109 A 5.4333 9.3761 130.2485 50.5879 21.6078 175.8118 110 G 4.5499 9.4616 109.7620 45.2371 0.0000 170.8448 111 V 5.0716 9.0950 118.5563 61.4379 35.0673 174.7152 112 T 5.2081 9.0700 120.6558 59.5610 71.5470 171.6962 113 A 5.0037 7.9678 121.7201 51.0584 22.0755 176.0068 114 R 4.1627 8.0933 118.8412 53.9444 33.8397 176.1622 115 D 3.3700 8.0988 122.1845 57.1312 41.3470 178.3912 116 N 4.1059 7.5166 114.8426 55.1067 38.8641 175.3644 117 W 4.9216 7.4023 117.8306 56.6824 29.8143 175.4156 118 N 4.1424 8.5353 111.8908 54.6024 36.2059 174.3414 119 Y 3.6871 7.9804 111.4064 58.7548 36.2591 170.3221 120 I 3.8857 7.5847 119.6903 60.7501 38.6066 174.0144 121 P 4.6416 0.0000 0.0000 62.8561 31.8830 175.6204 122 L 5.0284 9.0468 124.6695 51.9829 45.2083 174.4123 123 P 4.9638 0.0000 0.0000 63.0135 32.5079 175.8059 124 V 4.6694 8.8933 121.1627 61.2577 35.3747 173.7050 125 L 5.4638 8.7600 128.1295 53.5450 44.6948 175.2690 126 L 5.1813 9.1352 125.3864 52.2715 46.6423 174.4045 127 P 5.1773 0.0000 0.0000 62.9943 33.1884 174.9354 128 L 5.3922 8.9451 119.6874 53.2786 45.9933 175.5119 129 A 5.2955 8.7145 122.9943 50.8507 23.1278 175.1182 130 S 4.9700 8.7287 113.0979 57.3802 67.0382 173.4907 131 V 4.8340 8.8592 120.7569 61.5048 35.0342 174.4857 132 G 4.2921 9.0255 113.6743 45.4370 0.0000 170.6757 133 Y 4.4969 8.6143 120.6682 54.8107 41.1952 175.8419 134 G 3.4575 8.3071 118.8533 46.5116 0.0000 171.9503 135 P 4.4688 0.0000 0.0000 62.4934 31.4581 174.7476 136 V 4.6144 7.7912 120.3901 61.6993 33.9289 174.4376 137 T 4.8613 8.2748 124.0848 61.6842 72.8941 172.7339 138 F 4.8556 9.1452 129.0250 57.0015 40.7319 174.2161 139 Q 4.6685 7.7668 127.3083 54.4092 32.6399 173.6608 140 M 4.1307 8.1487 121.2117 54.3029 35.5276 172.7997 141 T 5.1878 8.8379 112.8617 59.8731 71.9812 171.3074 142 Y 5.0175 8.5912 124.6803 55.7895 41.3938 174.2151 143 I 4.1665 7.9913 128.9849 59.1231 38.4369 174.2784 144 P 4.1879 0.0000 0.0000 61.5356 31.8045 177.5384 145 G 3.8196 8.4988 107.9182 47.3130 0.0000 174.8164 146 T 3.8518 7.6211 109.8084 63.6909 69.2220 174.1027 147 Y 4.6701 7.4042 120.1509 55.8617 39.4998 174.5821 148 N 4.3389 8.7754 121.5890 55.2983 39.5265 174.1193 149 N 4.2197 8.6883 120.7225 54.3957 36.8537 174.4833 150 G 4.0219 7.4866 109.3696 45.2350 0.0000 173.6991 151 N 4.1257 8.1671 113.1460 54.8852 38.1412 174.8375 152 V 4.3636 6.8549 107.1514 59.4278 36.6312 174.9265 153 Y 4.7201 8.2716 121.1081 57.0917 39.6642 174.5139 154 F 5.2806 9.0276 124.4765 56.5119 42.9172 173.3004 155 A 4.7188 8.8039 127.2783 49.7551 22.7427 174.5354 156 W 5.5811 7.6151 115.9024 55.1527 32.4752 173.8091 157 M 4.6409 9.2144 120.9624 54.3630 33.5219 175.2101 158 R 4.6696 8.6212 123.3848 54.4344 32.9507 174.1927 159 F 5.0735 9.1259 125.6642 55.7934 41.2259 174.3179 160 Q 5.0229 8.5341 125.9681 54.0420 30.0172 174.6561 161 F 4.7169 8.8189 124.1255 56.4319 43.0456 172.8933 162 L 4.1961 8.7602 122.3306 55.1739 41.1081 174.8016 163 E 4.3147 8.6931 120.0565 56.6085 29.6383 176.0140 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 7 T 8.03 4.37 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 8 T 7.73 3.72 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 1.23 0.00 0.00 9 F 8.98 4.22 0.00 3.01 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 10 R 7.77 3.59 0.00 2.00 1.83 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 11 E 8.18 3.87 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 12 N 8.14 4.24 0.00 2.81 2.90 0.00 0.00 7.10 6.91 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 13 I 6.98 3.17 1.29 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.36 0.62 0.00 0.00 14 A 7.47 3.89 1.28 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 0.00 0.00 15 Q 7.81 3.67 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 16 T 7.65 3.95 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 1.24 0.00 0.00 17 W 8.15 4.16 0.00 3.50 3.16 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 18 Q 9.02 4.40 0.00 2.08 2.20 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 2.52 2.63 0.00 19 Q 8.12 4.66 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 20 P 0.00 4.52 0.00 2.21 2.19 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 21 E 9.05 4.62 0.00 1.92 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 2.27 2.29 0.00 22 H 8.12 5.31 0.00 3.12 3.28 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.23 5.55 0.00 3.37 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 24 D 9.65 5.65 0.00 2.80 2.30 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 25 L 9.18 5.26 0.00 2.14 2.03 1.21 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 9.48 5.32 0.00 2.97 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 27 I 9.11 5.02 2.21 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.30 1.06 0.00 0.00 28 P 0.00 4.81 0.00 2.30 2.26 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 29 A 8.92 4.71 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 30 I 7.17 4.53 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 1.18 0.00 0.00 31 T 8.58 5.42 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 1.38 0.00 0.00 32 W 8.96 5.56 0.00 3.62 3.29 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 33 H 9.30 4.69 0.00 3.33 3.36 0.00 5.65 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 34 A 7.98 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.20 3.88 0.00 2.02 2.13 0.00 3.35 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 36 F 8.18 4.16 0.00 3.32 3.16 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 37 A 7.79 4.05 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 *48 E 7.91 4.15 0.00 2.03 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 2.29 2.38 0.00 49 R 8.49 4.21 0.00 2.19 2.00 0.00 3.18 0.00 0.00 3.66 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 50 P 0.00 4.56 0.00 2.38 2.36 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.11 0.00 51 W 8.87 4.18 0.00 3.40 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 52 G 7.55 3.31 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 53 G 7.18 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 54 G 8.26 4.44 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 0.00 55 F 8.06 5.91 0.00 3.28 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 56 G 9.19 4.77 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 57 L 8.91 5.66 0.00 1.54 1.58 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.89 4.93 0.00 3.56 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 59 R 8.25 4.99 0.00 2.02 2.01 0.00 2.75 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 60 W 9.08 5.38 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 61 D 9.29 4.87 0.00 3.00 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 62 E 8.78 4.30 0.00 2.17 2.19 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 2.37 2.34 0.00 63 K 8.39 4.37 0.00 2.15 2.06 0.00 1.96 0.00 0.00 1.92 0.00 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.50 1.55 7.81 64 G 8.42 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 0.00 0.00 0.00 65 N 9.68 5.04 0.00 3.27 2.88 0.00 0.00 6.59 7.55 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 66 W 8.55 4.47 0.00 2.64 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 67 H 8.05 4.85 0.00 2.87 3.14 0.00 5.61 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 68 G 8.03 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.12 5.55 0.00 1.54 1.52 1.14 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.43 5.31 0.00 2.47 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 71 A 8.63 4.88 0.81 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 0.00 0.00 72 M 9.26 4.97 0.00 1.18 1.68 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 73 A 8.45 5.02 1.43 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 74 F 9.04 5.81 0.00 3.21 3.06 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 75 K 9.02 4.94 0.00 1.59 1.62 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.64 7.81 76 D 9.01 4.78 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.66 3.96 0.00 3.64 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 78 W 8.51 4.42 0.00 3.52 3.08 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 79 N 8.21 4.24 0.00 2.87 2.86 0.00 0.00 6.77 8.47 0.00 0.00 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 K 8.66 4.68 0.00 2.16 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.49 7.81 81 W 8.96 4.77 0.00 3.25 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 82 E 9.23 4.34 0.00 1.97 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 2.18 2.10 0.00 83 P 0.00 4.84 0.00 1.94 1.67 0.00 3.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 0.00 84 I 8.40 4.94 1.88 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 1.35 1.59 1.05 0.00 0.00 85 A 8.89 4.66 1.05 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 0.00 0.00 86 G 6.38 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 0.00 0.00 0.00 87 Y 8.52 5.37 0.00 3.01 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 88 G 8.74 4.62 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 0.00 0.00 0.00 89 W 8.62 5.54 0.00 3.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.39 0.00 1.80 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 2.14 2.26 0.00 91 S 6.99 4.10 0.00 3.83 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 92 T 9.22 5.33 4.64 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 1.41 0.00 0.00 93 W 9.58 5.03 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 5.06 0.00 1.60 1.70 0.00 3.18 0.00 0.00 3.93 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 95 P 0.00 3.89 0.00 1.26 0.49 0.00 3.34 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.00 96 L 7.08 4.47 0.00 1.55 1.43 0.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.43 3.92 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 98 D 8.04 4.63 0.00 2.89 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 99 E 8.60 4.10 0.00 2.01 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 2.11 2.16 0.00 100 N 8.16 4.02 0.00 1.59 1.42 0.00 0.00 6.86 7.92 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 0.00 101 F 7.91 4.74 0.00 3.02 2.88 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 0.00 0.00 0.00 102 H 9.05 5.26 0.00 3.10 3.17 0.00 5.20 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 0.00 103 L 9.15 5.38 0.00 1.86 1.70 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.00 4.61 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 0.00 105 L 8.65 5.21 0.00 1.72 1.48 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.68 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.48 5.59 0.00 3.44 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 0.00 108 T 9.74 5.25 4.45 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 0.00 0.00 0.00 1.44 0.00 0.00 109 A 9.38 5.43 1.72 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 0.00 110 G 9.46 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 0.00 111 V 9.09 5.07 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 1.07 0.00 0.00 0.96 0.00 0.00 112 T 9.07 5.21 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 113 A 7.97 5.00 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 0.00 114 R 8.09 4.16 0.00 1.17 1.25 0.00 2.71 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.00 115 D 8.10 3.37 0.00 2.47 2.38 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 0.00 116 N 7.52 4.11 0.00 2.05 2.47 0.00 0.00 6.74 7.68 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 W 7.40 4.92 0.00 3.26 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.54 4.14 0.00 2.93 2.94 0.00 0.00 6.86 6.97 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 0.00 119 Y 7.98 3.69 0.00 3.22 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 0.00 120 I 7.58 3.89 1.93 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 1.25 0.66 1.06 0.00 0.00 121 P 0.00 4.64 0.00 2.01 2.02 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 122 L 9.05 5.03 0.00 1.64 1.64 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.96 0.00 2.14 2.11 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 124 V 8.89 4.67 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 0.76 0.00 0.00 0.85 0.00 0.00 125 L 8.76 5.46 0.00 1.74 1.59 0.98 1.14 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 0.00 126 L 9.14 5.18 0.00 1.73 1.58 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 5.18 0.00 2.28 2.34 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 128 L 8.95 5.39 0.00 1.68 1.75 1.17 1.11 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 0.00 129 A 8.71 5.30 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 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.73 4.97 0.00 3.81 3.80 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 0.00 131 V 8.86 4.83 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 1.04 0.00 0.00 0.96 0.00 0.00 132 G 9.03 4.29 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 0.00 133 Y 8.61 4.50 0.00 2.70 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 0.00 134 G 8.31 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.47 0.00 2.16 2.17 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 136 V 7.79 4.61 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 1.03 0.00 0.00 1.04 0.00 0.00 137 T 8.27 4.86 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 1.08 0.00 0.00 138 F 9.15 4.86 0.00 2.98 2.88 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 0.00 0.00 0.00 139 Q 7.77 4.67 0.00 1.69 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.34 0.00 0.00 0.00 0.00 0.00 1.85 2.18 0.00 140 M 8.15 4.13 0.00 1.52 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 141 T 8.84 5.19 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 1.45 0.00 0.00 142 Y 8.59 5.02 0.00 3.17 2.88 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 0.00 0.00 0.00 143 I 7.99 4.17 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.75 0.00 0.00 144 P 0.00 4.19 0.00 2.15 2.21 0.00 3.98 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 2.13 1.99 0.00 145 G 8.50 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 0.00 146 T 7.62 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 147 Y 7.40 4.67 0.00 3.20 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 0.00 148 N 8.78 4.34 0.00 2.70 2.72 0.00 0.00 7.15 7.79 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 0.00 149 N 8.69 4.22 0.00 2.82 2.83 0.00 0.00 6.87 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 0.00 150 G 7.49 4.02 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 0.00 0.00 0.00 151 N 8.17 4.13 0.00 2.96 2.82 0.00 0.00 7.39 7.13 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 0.00 152 V 6.85 4.36 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 0.44 0.00 0.00 0.85 0.00 0.00 153 Y 8.27 4.72 0.00 1.43 1.56 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 0.00 154 F 9.03 5.28 0.00 3.07 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 0.00 155 A 8.80 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 W 7.62 5.58 0.00 3.50 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 M 9.21 4.64 0.00 1.17 1.93 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 2.69 2.71 0.00 158 R 8.62 4.67 0.00 1.68 1.45 0.00 2.96 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 159 F 9.13 5.07 0.00 3.09 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 0.00 160 Q 8.53 5.02 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.69 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 161 F 8.82 4.72 0.00 1.72 2.39 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 0.00 162 L 8.76 4.20 0.00 1.93 1.85 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.69 4.31 0.00 1.97 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 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.