NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 T 4.5319 8.0176 117.3283 63.6940 70.5098 172.1215 26 T 5.0970 8.5923 116.1999 57.9254 71.1511 169.7815 27 E 4.7458 9.2077 124.4673 54.1416 33.0142 176.4903 28 V 4.0099 8.4018 123.4943 63.3106 31.6844 175.4862 29 I 4.0962 8.8856 129.8276 64.0256 37.8473 176.0686 30 T 4.7668 7.4451 113.9814 61.2451 70.6085 172.0093 31 S 5.3500 8.3730 119.3730 57.3553 66.7617 172.7736 32 R 4.5998 8.7932 117.8513 55.6809 33.9061 173.2430 33 I 4.9178 8.4636 126.3666 60.1159 38.5221 174.8457 34 E 4.8296 9.3322 124.4790 53.7287 33.5834 172.9919 35 P 4.8303 0.0000 0.0000 62.2707 32.2777 176.2522 36 A 4.2046 8.9390 127.4710 52.1314 19.4877 177.4611 37 N 4.8929 8.8295 120.2668 51.9208 38.9925 176.3422 38 R 3.9295 8.6248 117.0316 59.5729 29.9953 178.7162 39 Y 4.0477 8.0354 118.7164 60.7597 38.8738 177.9969 40 V 3.1664 8.7911 119.3983 65.6414 31.5463 177.8074 41 A 3.8704 8.4925 120.9204 55.0227 18.2690 179.0746 42 E 3.7306 8.1784 117.9334 59.3429 29.4451 179.0987 43 K 3.5317 7.1437 116.8761 59.2966 32.1567 178.6828 44 L 3.9989 7.6255 115.5221 53.9475 42.6536 176.7242 45 R 3.7194 7.4324 117.1776 57.5078 27.9046 174.6301 46 I 4.6449 7.6334 108.8986 58.6893 41.3683 175.4131 47 T 4.0461 8.1719 117.2496 62.4242 68.7794 172.7280 48 P 4.3513 0.0000 0.0000 64.6735 31.7275 176.6448 49 G 3.9752 9.0394 111.6136 44.9911 0.0000 173.6011 50 Q 4.1416 7.8897 122.2675 55.8758 30.1587 175.2413 51 D 5.0834 8.8168 126.6347 54.6830 41.5372 175.5665 52 I 4.7111 9.0442 116.2446 58.8727 41.9542 173.7931 53 L 4.8867 8.5070 125.2086 54.2958 43.5249 174.3643 54 Y 5.2246 9.5430 128.5444 56.0333 41.0684 174.1202 55 L 4.9952 8.2741 126.0518 52.7310 45.7578 174.8127 56 E 4.8277 9.0337 125.0275 54.3762 32.0754 174.7780 57 R 5.0084 9.1983 125.3847 54.2472 34.7111 173.7918 58 L 4.9757 8.8312 125.3882 53.3133 44.5828 174.7058 59 R 5.0724 9.2244 127.9267 54.6652 31.9396 174.7602 60 S 5.2092 9.5720 122.3200 56.6266 65.7367 174.1599 61 I 4.1939 9.2814 124.5257 60.6077 37.4487 175.7497 62 G 3.7126 8.9065 113.6093 46.3214 0.0000 171.8312 63 D 4.5631 8.4644 115.3607 54.2213 39.4807 172.7497 64 E 4.6403 7.6219 117.7435 53.3996 31.6923 175.2590 65 K 4.2774 8.6084 125.0433 56.5234 32.2741 176.5462 66 A 4.4589 8.9927 127.5543 54.0858 19.3422 176.5806 67 M 5.2284 7.7906 110.7088 53.9420 35.2978 172.4967 68 L 5.1285 8.9159 122.3584 53.5583 44.6433 174.9675 69 I 4.9139 9.0842 127.1708 59.5244 40.3983 174.3261 70 E 4.7962 9.2938 126.9526 54.7750 31.6959 174.6358 71 N 5.2527 8.6527 123.1388 51.0666 41.0825 174.7688 72 R 5.0975 8.8764 121.1457 54.5454 33.9119 174.3492 73 I 4.8094 8.4593 124.8357 59.1624 40.4315 174.5546 74 N 4.7007 9.0720 126.5621 53.3425 38.8187 175.5532 75 I 3.8978 8.4801 121.7484 63.3661 37.7643 177.5610 76 E 4.0443 8.0278 119.8482 59.0325 29.4488 178.3784 77 L 4.5890 7.8614 118.3355 55.0511 43.1021 175.7581 78 C 4.9253 7.8542 113.7741 54.4324 29.4442 169.2908 79 P 4.2918 0.0000 0.0000 65.9173 31.4916 176.5130 80 G 4.0819 9.0895 111.1140 45.3548 0.0000 174.9970 81 I 3.7714 7.8905 119.8059 63.9336 38.1626 178.2644 82 V 3.8175 7.7745 112.3731 63.6464 31.4864 176.5043 83 E 4.3157 7.9320 117.5768 56.5790 29.8673 176.7429 84 I 3.5345 7.1001 120.0032 60.8047 37.7068 175.2910 85 D 4.5140 8.1041 123.3500 52.9892 40.8444 176.2172 86 F 5.0441 8.3477 124.0123 57.2181 39.0189 176.8313 87 N 4.5867 8.6758 119.6752 55.0884 38.5064 175.8272 88 Q 4.5257 8.1324 115.2254 55.7565 30.6320 175.0705 89 H 4.9876 7.6966 114.0269 53.8164 33.1125 171.9251 90 N 4.8331 8.5645 118.8597 52.4481 39.9438 176.1286 91 L 3.4322 8.4752 124.4435 58.3602 42.2618 179.4875 92 F 4.1376 7.9226 117.1435 59.9638 38.9413 175.7296 93 P 4.3698 0.0000 0.0000 66.1250 31.0961 178.7543 94 T 3.9869 7.9855 113.9988 66.4896 68.3804 176.8033 95 I 3.8110 7.9372 121.8367 64.5972 37.2311 178.3482 96 E 4.3589 8.3943 120.4857 59.0129 29.1214 179.4888 97 S 4.1327 8.0781 113.9687 61.8567 63.0635 176.6542 98 L 4.1640 7.9168 120.2829 57.5559 41.4168 179.2735 99 S 4.4157 8.2025 114.4435 57.8410 63.4161 174.2446 100 K 3.8754 7.5428 119.9276 57.4327 30.0807 174.8475 101 R 4.5158 7.4196 114.7130 54.1224 32.9598 175.2779 102 K 4.6219 8.1655 119.6695 55.0790 33.5791 176.3279 103 I 4.6278 9.0083 124.5915 61.7380 37.1571 176.0730 104 R 4.4603 8.6501 123.8821 56.4223 32.3794 175.6350 105 Y 4.9304 7.8140 114.8617 56.7726 42.7562 173.7800 106 S 5.3063 8.6090 114.7132 57.1397 65.9302 172.9223 107 E 4.8971 9.4548 124.4979 54.8446 33.5273 174.8164 108 S 5.0728 8.6323 117.9275 56.7017 67.3311 173.3290 109 R 4.4825 8.3547 121.4823 54.8831 33.1079 173.3078 110 Y 5.1830 8.7548 123.2137 56.3881 40.4152 174.8952 111 A 4.8271 9.1931 123.8898 50.3952 23.3784 174.9687 112 A 4.7298 8.6012 122.2912 51.7899 19.6499 177.1226 113 R 4.7493 9.1090 120.3419 54.5000 35.6769 174.6998 114 L 4.9809 8.2587 120.0545 54.1453 42.2831 178.1983 115 I 3.4032 8.7275 125.1855 64.5407 38.5546 175.2623 116 G 3.8783 7.7266 106.7846 44.2103 0.0000 174.5087 117 N 4.1688 8.7602 116.8016 56.6038 38.8304 176.7544 118 E 3.7289 7.9016 120.1731 59.2924 29.7506 178.7548 119 R 4.2181 7.8719 117.8253 59.0122 30.1292 178.7833 120 G 3.7484 7.9814 105.7164 48.4886 0.0000 175.3166 *121 H 4.0468 7.7299 117.3757 58.4469 28.5845 177.7268 122 F 4.5067 7.4004 118.5035 59.5639 38.8239 176.6160 123 L 4.5513 7.5207 115.4843 54.0095 42.4025 176.6998 124 D 4.9453 8.0198 122.7509 55.4706 40.6217 175.1463 125 I 3.6209 7.2462 114.5884 58.0086 36.9426 178.5616 126 S 4.2536 8.6531 118.5610 57.5775 63.3972 173.9824 127 E 4.0645 8.7056 122.8486 57.1922 29.4324 176.8763 128 D 4.3216 8.7831 115.5862 54.7969 39.4051 174.2744 129 A 4.3381 8.1514 122.2168 51.3195 19.6611 175.0372 130 P 5.1221 0.0000 0.0000 62.6602 32.6950 175.7793 131 V 4.6884 9.1668 115.8407 59.1342 36.4717 174.3012 132 L 4.5210 8.5644 124.7698 55.2209 43.2680 174.8493 133 H 5.0082 9.5660 126.6986 54.1565 32.3964 172.5462 134 L 4.8581 8.1158 127.2275 53.1188 45.0527 174.5164 135 E 4.7576 8.5153 125.3451 54.5753 32.1592 174.7276 136 Q 4.8612 8.7845 125.0689 54.1326 32.7359 173.2350 137 L 5.1570 9.0341 128.5307 53.2708 44.7430 174.8845 138 V 4.9207 8.6288 126.1500 61.1470 34.3957 174.1644 139 F 5.1746 9.4541 125.8355 55.9536 42.2760 176.4194 140 F 4.7836 9.2064 121.5711 59.5385 39.1832 175.8068 141 S 5.0703 8.0123 112.7229 56.0883 66.1845 174.3932 142 R 3.0939 8.7728 120.4773 58.7869 29.5788 176.7530 143 E 4.5951 7.7710 112.9770 55.8556 30.0630 176.1273 144 L 4.7105 8.1942 122.3227 52.0580 42.4082 173.6589 145 P 4.3295 0.0000 0.0000 61.9353 32.2013 176.6418 146 V 4.2753 8.3468 119.3704 62.0014 34.1221 175.0010 147 E 5.0386 7.6486 120.2757 54.5976 33.5966 173.7570 148 F 5.0673 9.5703 128.2050 56.6172 42.4097 173.4904 149 G 4.3168 8.7902 114.1917 44.2864 0.0000 170.9691 150 N 5.1825 8.7848 120.3562 50.9502 41.5955 173.7448 151 V 4.6832 8.3124 123.6188 60.6674 35.1803 174.1789 152 W 5.0128 9.2982 127.5215 55.1310 31.7398 174.3750 153 L 5.1220 9.1131 125.9137 52.8527 43.6824 177.1692 154 K 4.1526 8.5856 123.8644 57.9542 32.6852 176.4563 155 G 3.7128 8.3128 106.9448 45.9433 0.0000 174.2395 156 N 4.7911 9.1349 112.9056 52.0578 42.6785 172.7743 157 K 4.1266 7.8153 126.0717 56.5226 33.3058 175.6932 *158 Y 4.6987 7.8990 123.3132 57.7812 39.4750 175.2340 *159 Y 4.3472 8.1752 117.8210 58.5421 37.4908 179.4461 160 L 4.5658 7.3838 118.9114 55.0071 43.3778 176.7629 161 G 3.9960 8.9061 110.3697 45.9679 0.0000 173.6621 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 25 T 8.02 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 1.22 0.00 0.00 26 T 8.59 5.10 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 1.23 0.00 0.00 27 E 9.21 4.75 0.00 2.02 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 2.36 2.21 0.00 28 V 8.40 4.01 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 0.86 0.00 0.00 0.99 0.00 0.00 29 I 8.89 4.10 1.75 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 0.80 0.00 0.00 30 T 7.45 4.77 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 1.46 0.00 0.00 31 S 8.37 5.35 0.00 4.03 3.81 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 32 R 8.79 4.60 0.00 2.03 1.84 0.00 3.02 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 33 I 8.46 4.92 1.90 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 1.44 1.01 1.01 0.00 0.00 34 E 9.33 4.83 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 35 P 0.00 4.83 0.00 1.97 2.19 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 36 A 8.94 4.20 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 37 N 8.83 4.89 0.00 3.01 3.02 0.00 0.00 6.26 7.66 0.00 0.00 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 R 8.62 3.93 0.00 1.92 2.06 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 39 Y 8.04 4.05 0.00 3.01 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 40 V 8.79 3.17 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 1.07 0.00 0.00 1.17 0.00 0.00 41 A 8.49 3.87 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 42 E 8.18 3.73 0.00 2.01 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 0.00 2.15 2.28 0.00 43 K 7.14 3.53 0.00 1.07 1.02 0.00 1.18 0.00 0.00 1.19 0.00 0.00 2.38 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.44 0.21 7.81 44 L 7.63 4.00 0.00 1.56 1.60 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.43 3.72 0.00 1.90 1.94 0.00 3.12 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 46 I 7.63 4.64 1.85 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 1.24 0.63 0.95 0.00 0.00 47 T 8.17 4.05 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 1.21 0.00 0.00 48 P 0.00 4.35 0.00 2.03 2.02 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 49 G 9.04 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.89 4.14 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 51 D 8.82 5.08 0.00 2.62 2.62 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 52 I 9.04 4.71 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.98 0.00 0.00 53 L 8.51 4.89 0.00 1.85 1.59 1.03 1.05 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 54 Y 9.54 5.22 0.00 3.10 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 55 L 8.27 5.00 0.00 1.31 1.19 0.95 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.03 4.83 0.00 1.87 1.67 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 1.91 2.13 0.00 57 R 9.20 5.01 0.00 1.59 1.68 0.00 2.90 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 58 L 8.83 4.98 0.00 1.64 1.48 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.22 5.07 0.00 1.88 1.90 0.00 3.10 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 60 S 9.57 5.21 0.00 3.84 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 61 I 9.28 4.19 1.89 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 1.24 0.78 0.92 0.00 0.00 62 G 8.91 3.71 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 0.00 63 D 8.46 4.56 0.00 2.83 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 64 E 7.62 4.64 0.00 1.98 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 2.21 2.25 0.00 65 K 8.61 4.28 0.00 1.83 1.81 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 66 A 8.99 4.46 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 67 M 7.79 5.23 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 68 L 8.92 5.13 0.00 1.88 1.77 0.72 0.74 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 69 I 9.08 4.91 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.85 0.00 0.00 70 E 9.29 4.80 0.00 1.98 1.92 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 2.27 2.45 0.00 71 N 8.65 5.25 0.00 2.40 2.56 0.00 0.00 6.61 7.33 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 72 R 8.88 5.10 0.00 2.05 1.90 0.00 3.32 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 73 I 8.46 4.81 1.82 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 0.91 0.58 0.91 0.00 0.00 74 N 9.07 4.70 0.00 2.82 2.73 0.00 0.00 6.59 8.05 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 75 I 8.48 3.90 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.47 1.01 0.00 0.00 76 E 8.03 4.04 0.00 1.95 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 0.00 2.57 2.52 0.00 77 L 7.86 4.59 0.00 1.98 2.00 1.09 0.76 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 78 C 7.85 4.93 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.29 0.00 2.06 2.10 0.00 3.66 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 2.04 2.13 0.00 80 G 9.09 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 0.00 0.00 0.00 81 I 7.89 3.77 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 1.03 0.00 0.00 82 V 7.77 3.82 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 0.80 0.00 0.00 0.95 0.00 0.00 83 E 7.93 4.32 0.00 2.06 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 2.28 2.26 0.00 84 I 7.10 3.53 0.70 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 1.26 0.52 -0.18 0.00 0.00 85 D 8.10 4.51 0.00 2.67 2.50 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 86 F 8.35 5.04 0.00 3.05 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 87 N 8.68 4.59 0.00 2.92 2.88 0.00 0.00 6.73 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.13 4.53 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 89 H 7.70 4.99 0.00 3.06 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.56 4.83 0.00 2.87 2.80 0.00 0.00 6.54 6.74 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 91 L 8.48 3.43 0.00 1.16 1.14 -0.12 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.92 4.14 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.24 2.19 0.00 3.74 0.00 0.00 3.95 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 94 T 7.99 3.99 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 1.30 0.00 0.00 95 I 7.94 3.81 2.13 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 1.12 0.00 0.00 96 E 8.39 4.36 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 97 S 8.08 4.13 0.00 3.86 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 98 L 7.92 4.16 0.00 1.73 1.89 0.94 0.86 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 99 S 8.20 4.42 0.00 3.67 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 0.00 100 K 7.54 3.88 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.36 7.81 101 R 7.42 4.52 0.00 0.67 0.93 0.00 2.21 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.00 102 K 8.17 4.62 0.00 1.84 1.75 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.46 7.81 103 I 9.01 4.63 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.94 0.00 0.00 104 R 8.65 4.46 0.00 1.68 1.41 0.00 3.31 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 105 Y 7.81 4.93 0.00 2.62 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 0.00 106 S 8.61 5.31 0.00 3.82 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 0.00 107 E 9.45 4.90 0.00 2.04 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 2.23 2.34 0.00 108 S 8.63 5.07 0.00 3.31 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 0.00 109 R 8.35 4.48 0.00 1.79 1.63 0.00 3.09 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 110 Y 8.75 5.18 0.00 2.84 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 0.00 111 A 9.19 4.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.60 4.73 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 0.00 113 R 9.11 4.75 0.00 2.00 2.01 0.00 3.32 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 114 L 8.26 4.98 0.00 1.58 1.64 1.03 0.66 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 0.00 115 I 8.73 3.40 1.92 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 1.14 0.44 0.96 0.00 0.00 116 G 7.73 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 0.00 117 N 8.76 4.17 0.00 2.92 2.75 0.00 0.00 6.51 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 0.00 118 E 7.90 3.73 0.00 2.01 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 2.53 2.27 0.00 119 R 7.87 4.22 0.00 1.58 1.64 0.00 2.34 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.00 120 G 7.98 3.75 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 0.00 0.00 0.00 *121 H 7.73 4.05 0.00 2.67 2.76 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.40 4.51 0.00 3.19 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 0.00 123 L 7.52 4.55 0.00 1.61 1.74 1.11 1.57 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 0.00 124 D 8.02 4.95 0.00 2.88 2.89 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 0.00 125 I 7.25 3.62 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.91 0.00 0.00 126 S 8.65 4.25 0.00 3.99 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 0.00 127 E 8.71 4.06 0.00 2.05 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 2.26 2.35 0.00 128 D 8.78 4.32 0.00 2.84 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 0.00 129 A 8.15 4.34 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 0.00 130 P 0.00 5.12 0.00 2.13 2.10 0.00 3.73 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 2.00 2.02 0.00 131 V 9.17 4.69 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 0.80 0.00 0.00 1.32 0.00 0.00 132 L 8.56 4.52 0.00 1.85 1.59 0.99 1.11 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 0.00 133 H 9.57 5.01 0.00 2.94 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.12 4.86 0.00 1.54 1.15 0.60 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.52 4.76 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 136 Q 8.78 4.86 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 137 L 9.03 5.16 0.00 1.88 1.59 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.63 4.92 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 0.92 0.00 0.00 0.86 0.00 0.00 139 F 9.45 5.17 0.00 3.08 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 0.00 140 F 9.21 4.78 0.00 3.31 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 0.00 141 S 8.01 5.07 0.00 4.07 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 0.00 142 R 8.77 3.09 0.00 1.49 1.86 0.00 3.06 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.00 143 E 7.77 4.60 0.00 2.05 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 2.26 2.24 0.00 144 L 8.19 4.71 0.00 1.79 1.71 1.01 1.34 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 0.00 145 P 0.00 4.33 0.00 1.77 1.19 0.00 3.62 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 1.83 1.72 0.00 146 V 8.35 4.28 1.10 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 0.10 0.00 0.00 0.81 0.00 0.00 147 E 7.65 5.04 0.00 1.94 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 2.39 2.14 0.00 148 F 9.57 5.07 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.79 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 N 8.78 5.18 0.00 2.63 2.61 0.00 0.00 6.38 7.97 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 0.00 151 V 8.31 4.68 1.86 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 1.01 0.00 0.00 0.79 0.00 0.00 152 W 9.30 5.01 0.00 3.40 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 0.00 153 L 9.11 5.12 0.00 1.83 1.59 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.59 4.15 0.00 1.96 2.00 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.42 7.81 155 G 8.31 3.71 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 0.00 156 N 9.13 4.79 0.00 2.63 2.64 0.00 0.00 6.90 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 0.00 157 K 7.82 4.13 0.00 1.68 1.54 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.63 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.05 1.36 7.81 *158 Y 7.90 4.70 0.00 2.28 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 0.00 0.00 0.00 0.00 *159 Y 8.18 4.35 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.57 0.00 1.55 1.56 0.69 0.96 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 0.00 161 G 8.91 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 * Residues marked with a * may have inaccurate shift predictions.