NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3294 8.0427 120.5645 54.3858 42.7563 173.7943 3 K 4.5211 8.2298 122.2530 53.6094 35.1393 173.7837 4 G 4.3257 9.3009 116.6287 43.3232 0.0000 171.7468 5 K 3.7118 8.6956 117.7921 59.4366 31.9247 177.6500 6 Y 4.8349 8.6506 114.1560 57.8775 39.9835 175.3297 7 T 5.3654 7.7535 109.1033 59.9180 73.0011 172.7750 8 K 5.0566 8.8796 120.1408 55.7680 36.6152 174.9811 9 I 4.9765 8.6740 122.2208 59.7499 40.2688 174.7518 10 E 4.6706 8.9535 126.8499 53.7709 32.5965 175.5639 11 K 3.3933 8.9510 125.6448 57.0017 32.6725 176.0126 12 V 3.7639 8.3709 128.3772 62.1407 32.0234 175.5082 13 N 4.2497 8.7495 126.5619 54.8395 39.4135 175.7879 14 G 4.0126 8.8268 111.4879 45.5452 0.0000 173.4962 15 V 4.4875 7.1527 118.1925 59.6567 34.1028 174.8171 16 E 4.4370 8.3751 119.7304 56.1638 31.2503 176.7047 17 R 4.2208 8.5672 118.8318 56.9095 28.0641 174.8133 18 E 5.0045 7.3700 118.1462 54.4926 32.8733 174.2385 19 Y 4.9488 8.6472 123.2388 56.0229 42.0418 174.0633 20 L 4.5988 9.0435 126.1588 53.9031 44.1971 174.9827 21 I 4.8605 8.5071 127.5417 60.2697 39.0448 174.9970 22 T 5.1809 8.7274 122.9284 61.9027 73.4203 173.0016 23 D 5.2413 8.6084 123.3120 51.7575 41.9554 177.4837 24 K 3.9204 8.4864 117.3988 59.1895 31.9163 178.0964 25 Y 4.2855 7.9304 114.5943 58.6067 38.1475 176.2399 26 G 3.9943 8.5023 108.8389 45.0532 0.0000 173.5488 27 I 4.1242 7.9241 121.4880 60.4734 37.9986 175.4162 28 T 4.5372 8.4591 122.0369 63.7342 69.1568 174.4299 29 I 4.1206 8.9272 128.4535 62.5386 38.3808 175.5801 30 G 4.3006 6.8055 105.7598 45.9967 0.0000 171.5673 31 R 4.8791 8.2636 117.9326 54.6826 34.6560 174.5820 32 I 4.6266 8.1146 121.8488 59.5940 39.9114 174.6991 33 F 5.2638 9.4786 125.2956 55.5724 41.8935 174.6065 34 I 4.3267 9.1372 126.2818 61.6352 36.9178 176.0210 35 V 4.2183 8.7555 126.5707 64.3124 33.1892 175.6659 36 D 4.7692 7.8949 120.1219 52.7811 44.4997 173.6995 37 L 5.0099 8.7119 127.5136 53.2857 45.1137 175.1183 38 N 4.9063 9.5377 124.4651 51.7577 40.9137 174.8493 39 K 4.0903 8.6762 126.5765 59.3399 32.6129 179.5264 40 D 4.3709 8.2190 117.8055 56.8622 40.8767 176.6945 41 N 4.6196 9.0289 114.4220 52.5463 39.6528 174.8177 42 R 3.8116 7.6053 117.8247 57.4700 28.4400 175.4824 43 F 5.4449 8.4848 118.7136 56.7623 43.3871 173.8935 44 C 5.2981 8.2294 124.5732 56.5915 36.0198 172.0675 *46 F 5.0790 8.3827 114.3969 57.0662 39.4415 174.5364 47 R 5.1781 8.7729 120.8077 53.9931 33.5588 174.0786 *49 K 4.4318 8.3284 116.5728 56.5287 33.7198 175.0478 50 I 4.8681 8.2168 125.1185 59.2114 39.4701 175.2160 51 Y 4.5988 8.2077 124.9782 57.9974 38.6511 176.5811 52 K 4.0234 8.8532 124.0402 56.7818 32.7271 175.9717 53 Q 4.5969 8.6030 125.6639 54.3932 30.1104 176.2662 54 G 3.7448 8.6921 111.3769 47.1600 0.0000 173.1640 55 K 4.6967 7.5693 117.2226 53.8905 35.8713 175.5074 56 S 4.3640 8.5644 115.3749 58.4810 62.8600 173.9251 57 I 4.7879 8.1486 120.9608 60.2253 38.2788 177.1348 58 N 4.2063 8.1788 120.9510 58.3938 38.6855 175.9312 59 T 3.7042 7.6769 116.2868 66.9307 68.4140 176.0426 60 Y 4.2205 7.2966 117.9835 61.0498 37.9536 178.1296 61 I 3.7621 8.1298 121.0189 64.1015 37.0518 178.6732 62 K 3.9079 8.3341 119.8884 59.2502 31.8372 178.8462 63 E 3.9596 8.2034 119.6041 59.4028 29.5661 178.9036 64 I 3.7205 7.9613 119.6954 64.4747 36.9947 178.2964 65 L 4.1586 7.9732 118.5743 58.1108 41.5508 179.6059 66 S 4.4635 8.2347 113.9714 61.5113 63.0865 176.4252 67 V 3.8823 8.2652 121.4142 66.0178 31.2663 179.3066 68 F 4.1154 8.2950 119.2545 58.3963 39.2450 176.4007 *70 E 4.3570 8.1333 118.6927 55.7650 31.6636 177.2791 71 F 4.1915 8.1747 120.6997 61.2223 39.9022 177.1238 72 L 3.4429 7.5745 120.4111 57.4617 41.6998 179.4144 73 F 4.2696 7.5930 115.7085 60.0545 39.0761 176.7094 74 K 4.3271 8.3013 118.4639 57.3683 32.4995 177.5664 75 S 4.6245 7.6944 111.2917 58.2105 63.8390 173.9654 76 N 4.6670 7.2676 114.9538 51.7655 40.0955 173.4100 77 D 4.2926 7.9435 115.6517 55.0809 39.7348 173.3050 78 I 4.0994 7.3462 116.9599 60.4823 38.1764 175.5310 79 N 4.9509 9.2230 122.6558 54.5370 40.9504 174.5704 80 K 5.1794 8.0775 119.4631 54.6284 36.0936 174.9814 81 V 4.9067 8.7890 126.3736 61.1653 34.4803 173.6727 82 N 5.6421 8.6125 124.0336 51.5388 42.0210 173.9160 83 I 4.1933 8.8847 122.6299 59.3945 41.0071 174.2821 84 I 4.8544 8.7533 127.7727 59.6797 39.4608 175.1964 85 V 4.5137 8.6273 119.7069 59.0360 36.0548 174.4525 86 D 4.4814 8.8496 123.6544 54.6292 41.4213 177.4377 87 E 2.5899 8.1604 122.7939 58.8978 29.4669 177.9997 88 E 4.1429 8.6948 117.5810 57.3095 29.7954 176.8880 89 V 3.8850 7.5960 120.5248 61.8468 32.0932 175.6801 90 S 4.3415 8.6633 122.1490 58.8597 63.0641 174.4252 91 T 4.3800 8.7174 120.0518 63.6625 67.3135 176.1040 92 Q 4.0197 7.9480 121.5212 59.6087 28.9987 176.7834 93 P 4.1564 0.0000 0.0000 65.4620 31.2423 178.6776 94 F 3.8750 7.6205 116.1182 60.4395 38.8513 177.8294 95 V 3.7602 7.7985 117.6961 66.0271 31.1248 177.9930 96 E 4.0562 8.1993 117.6214 59.1705 29.4298 178.5961 97 L 4.3133 8.0049 116.5951 55.1492 41.8412 177.7217 98 G 3.9152 7.8270 107.0518 45.6821 0.0000 173.9163 99 F 4.1997 8.3852 117.9399 57.0212 39.5969 175.1550 100 A 4.3746 8.9649 126.6426 52.0360 19.6875 176.8702 101 F 4.4860 9.0412 124.7126 57.5966 38.4205 174.7032 102 E 4.3728 9.0158 126.1696 57.5702 30.5105 176.3428 103 G 4.0640 7.3398 105.0644 46.0255 0.0000 172.1398 104 I 5.1173 8.4109 120.1954 59.4451 39.9820 175.9182 105 I 4.1641 8.9231 129.6141 60.2250 37.0026 175.1377 106 N 4.8385 8.7584 125.7917 53.5358 39.7450 175.9089 107 K 4.0619 9.2126 123.5082 57.5483 30.3517 175.8098 108 S 4.5085 7.4425 111.2703 58.6171 64.1099 174.0844 109 I 4.5154 7.6758 122.5053 59.5082 39.9300 174.3639 110 I 4.8424 8.3116 124.5923 59.4370 39.3731 174.6004 111 E 4.5136 8.6265 126.0847 55.3618 31.7752 175.7319 112 K 3.9734 9.8213 125.8474 57.7151 29.9180 174.9202 113 N 4.5147 8.5720 111.3455 53.5389 35.9261 174.6483 114 V 4.5254 7.6739 117.0914 59.5399 34.2814 174.4156 115 L 4.8279 8.3441 121.5512 54.4446 42.6197 176.3245 116 K 4.8399 9.1258 122.4884 54.7357 36.3713 175.4458 117 D 5.2612 8.8486 122.3110 53.5541 43.3770 175.1568 118 E 4.8100 8.9892 118.7109 54.6876 33.3350 175.5820 119 F 5.1548 9.0262 122.4449 56.2750 41.5451 174.6265 120 L 4.8602 8.4440 124.3158 53.4520 44.1971 175.1082 121 F 5.2053 9.1434 125.5370 55.9289 42.5213 175.2683 122 G 4.7973 9.1311 108.1209 44.6271 0.0000 170.9576 *124 D 5.2783 8.4568 118.1529 52.9877 40.8067 175.6991 125 Y 3.2760 8.6345 119.7426 60.4973 38.6421 177.9474 126 K 3.7365 8.0807 119.9991 59.4645 32.0493 178.0911 127 N 4.1601 8.2241 116.0349 56.8328 38.7107 175.7561 128 Y 3.9053 7.7561 121.1083 60.5903 38.4964 177.4309 129 N 4.0705 7.8766 116.6566 55.1435 39.1612 175.3488 130 S 4.2739 7.4674 119.5232 58.6746 63.1923 173.7671 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 L 8.04 4.33 0.00 1.55 1.67 0.58 -0.24 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 3 K 8.23 4.52 0.00 1.71 1.61 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.47 7.81 4 G 9.30 4.33 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 0.00 5 K 8.70 3.71 0.00 1.44 0.74 0.00 1.10 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.12 7.81 6 Y 8.65 4.83 0.00 3.35 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 5.37 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 1.49 0.00 0.00 8 K 8.88 5.06 0.00 1.89 1.87 0.00 1.23 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.40 7.81 9 I 8.67 4.98 1.81 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 1.11 0.64 0.73 0.00 0.00 10 E 8.95 4.67 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 11 K 8.95 3.39 0.00 1.65 1.58 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.53 7.81 12 V 8.37 3.76 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 0.69 0.00 0.00 0.79 0.00 0.00 13 N 8.75 4.25 0.00 2.79 2.63 0.00 0.00 7.16 8.11 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 14 G 8.83 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 15 V 7.15 4.49 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 0.71 0.00 0.00 0.99 0.00 0.00 16 E 8.38 4.44 0.00 2.02 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 2.32 2.26 0.00 17 R 8.57 4.22 0.00 2.10 2.11 0.00 3.13 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 18 E 7.37 5.00 0.00 1.97 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 1.87 1.47 0.00 19 Y 8.65 4.95 0.00 2.52 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 20 L 9.04 4.60 0.00 1.63 1.47 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.51 4.86 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.28 0.92 0.00 0.00 22 T 8.73 5.18 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 1.27 0.00 0.00 23 D 8.61 5.24 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.49 3.92 0.00 1.47 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.46 7.81 25 Y 7.93 4.29 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.50 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 27 I 7.92 4.12 2.02 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 1.35 0.84 0.94 0.00 0.00 28 T 8.46 4.54 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 1.35 0.00 0.00 29 I 8.93 4.12 1.85 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 0.59 0.92 0.00 0.00 30 G 6.81 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 0.00 0.00 0.00 0.00 31 R 8.26 4.88 0.00 1.40 1.28 0.00 3.25 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 32 I 8.11 4.63 1.38 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.47 0.11 0.00 0.00 33 F 9.48 5.26 0.00 2.89 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 34 I 9.14 4.33 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 1.02 0.00 0.00 35 V 8.76 4.22 2.17 0.00 0.00 0.00 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 1.09 0.00 0.00 36 D 7.89 4.77 0.00 2.93 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 37 L 8.71 5.01 0.00 1.66 1.53 0.89 0.96 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 38 N 9.54 4.91 0.00 2.80 2.81 0.00 0.00 6.81 6.58 0.00 0.00 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 K 8.68 4.09 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.40 7.81 40 D 8.22 4.37 0.00 2.85 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 41 N 9.03 4.62 0.00 2.76 2.90 0.00 0.00 7.15 7.64 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 42 R 7.61 3.81 0.00 2.00 2.17 0.00 3.06 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 43 F 8.48 5.44 0.00 3.22 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 44 C 8.23 5.30 0.00 2.84 2.54 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 *46 F 8.38 5.08 0.00 3.41 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 47 R 8.77 5.18 0.00 1.95 2.03 0.00 3.07 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *49 K 8.33 4.43 0.00 1.92 1.78 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.61 7.81 50 I 8.22 4.87 1.91 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 1.38 0.91 1.00 0.00 0.00 51 Y 8.21 4.60 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.85 4.02 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 53 Q 8.60 4.60 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 54 G 8.69 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 0.00 0.00 0.00 55 K 7.57 4.70 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 56 S 8.56 4.36 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.15 4.79 2.13 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 1.37 0.64 1.05 0.00 0.00 58 N 8.18 4.21 0.00 2.84 2.82 0.00 0.00 7.25 8.06 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 59 T 7.68 3.70 3.45 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 0.86 0.00 0.00 60 Y 7.30 4.22 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.13 3.76 1.81 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 1.76 1.00 0.72 0.00 0.00 62 K 8.33 3.91 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 63 E 8.20 3.96 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 64 I 7.96 3.72 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.86 0.00 0.00 65 L 7.97 4.16 0.00 1.76 1.94 -0.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.23 4.46 0.00 3.91 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 67 V 8.27 3.88 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 1.04 0.00 0.00 68 F 8.30 4.12 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 E 8.13 4.36 0.00 2.25 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 0.00 2.43 2.36 0.00 71 F 8.17 4.19 0.00 2.89 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 72 L 7.57 3.44 0.00 1.09 1.14 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.59 4.27 0.00 2.57 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 74 K 8.30 4.33 0.00 1.82 1.92 0.00 1.89 0.00 0.00 2.08 0.00 0.00 3.31 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.70 1.71 7.81 75 S 7.69 4.62 0.00 3.73 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 76 N 7.27 4.67 0.00 2.33 2.46 0.00 0.00 6.97 8.06 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 77 D 7.94 4.29 0.00 2.67 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 78 I 7.35 4.10 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.86 0.00 0.00 79 N 9.22 4.95 0.00 2.86 3.00 0.00 0.00 6.46 6.28 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 80 K 8.08 5.18 0.00 2.08 1.92 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.82 7.81 81 V 8.79 4.91 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 1.09 0.00 0.00 0.40 0.00 0.00 82 N 8.61 5.64 0.00 2.62 2.69 0.00 0.00 6.78 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 83 I 8.88 4.19 1.62 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.50 0.62 0.00 0.00 84 I 8.75 4.85 1.84 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 1.19 0.90 0.89 0.00 0.00 85 V 8.63 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 0.87 0.00 0.00 0.89 0.00 0.00 86 D 8.85 4.48 0.00 2.66 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 87 E 8.16 2.59 0.00 1.84 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 88 E 8.69 4.14 0.00 1.92 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 2.34 2.35 0.00 89 V 7.60 3.88 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 90 S 8.66 4.34 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.72 4.38 4.52 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 1.37 0.00 0.00 92 Q 7.95 4.02 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 93 P 0.00 4.16 0.00 1.60 1.85 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 94 F 7.62 3.88 0.00 2.17 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 0.00 0.00 0.00 0.00 95 V 7.80 3.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.17 0.00 0.00 96 E 8.20 4.06 0.00 2.08 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 2.36 2.50 0.00 97 L 8.00 4.31 0.00 1.98 1.74 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.39 4.20 0.00 3.21 3.22 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 0.00 100 A 8.96 4.37 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 0.00 101 F 9.04 4.49 0.00 3.16 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 0.00 102 E 9.02 4.37 0.00 2.05 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 2.40 2.55 0.00 103 G 7.34 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 0.00 0.00 0.00 104 I 8.41 5.12 1.95 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 1.73 0.81 1.16 0.00 0.00 105 I 8.92 4.16 1.86 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 1.24 0.73 0.91 0.00 0.00 106 N 8.76 4.84 0.00 2.73 2.75 0.00 0.00 7.21 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 0.00 107 K 9.21 4.06 0.00 1.79 1.84 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.51 7.81 108 S 7.44 4.51 0.00 4.14 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 0.00 109 I 7.68 4.52 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.88 0.00 0.00 110 I 8.31 4.84 1.86 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 1.29 0.60 0.90 0.00 0.00 111 E 8.63 4.51 0.00 1.96 1.74 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 2.19 2.24 0.00 112 K 9.82 3.97 0.00 1.86 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.38 7.81 113 N 8.57 4.51 0.00 2.90 3.00 0.00 0.00 6.93 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 0.00 114 V 7.67 4.53 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 0.75 0.00 0.00 0.93 0.00 0.00 115 L 8.34 4.83 0.00 1.55 1.63 0.92 0.86 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 0.00 116 K 9.13 4.84 0.00 1.58 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.35 7.81 117 D 8.85 5.26 0.00 2.57 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 0.00 118 E 8.99 4.81 0.00 1.78 1.73 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 2.16 2.15 0.00 119 F 9.03 5.15 0.00 2.49 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 0.00 120 L 8.44 4.86 0.00 1.66 1.65 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.14 5.21 0.00 2.42 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 9.13 4.80 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 0.00 0.00 0.00 *124 D 8.46 5.28 0.00 3.20 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 0.00 125 Y 8.63 3.28 0.00 2.99 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 0.00 126 K 8.08 3.74 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 127 N 8.22 4.16 0.00 2.79 3.04 0.00 0.00 7.21 7.16 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 0.00 128 Y 7.76 3.91 0.00 2.34 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 0.00 129 N 7.88 4.07 0.00 1.74 2.34 0.00 0.00 7.29 7.67 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 0.00 130 S 7.47 4.27 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.