NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.4939 8.3344 117.1011 57.9047 63.9144 175.9829 25 M 4.5076 8.6888 119.2325 54.5498 34.4080 173.1471 26 K 4.1938 8.8493 128.3623 53.8026 32.9900 173.1738 27 L 4.3807 8.2420 126.4875 53.5173 43.0155 174.4859 28 D 4.9904 7.9539 120.6718 51.7371 44.8060 175.6639 29 I 3.6872 8.5835 112.9600 63.1311 37.8842 177.5210 30 G 3.5533 8.2995 108.9010 45.1169 0.0000 174.0197 31 I 3.2401 8.3332 115.2039 62.0315 34.3709 173.7540 32 I 3.8786 7.9400 120.5338 62.7212 37.3707 175.8960 33 N 4.1596 9.0708 126.7180 54.9122 37.4125 175.7210 34 E 4.1017 8.2112 116.0600 59.5535 30.5130 181.2025 35 N 4.8410 7.9144 116.3495 51.7455 35.7831 175.9299 36 Q 4.6187 7.7892 123.5501 54.7301 32.1009 174.9961 37 R 4.5927 8.3509 123.2194 53.8736 31.3711 173.5892 38 V 3.7392 8.4083 123.3697 62.5739 31.9398 175.6020 39 S 4.6629 8.4484 119.4473 58.0177 63.4123 173.9993 40 M 3.9661 8.1132 123.5862 56.3729 31.7981 176.5704 41 S 4.1051 8.9112 119.5625 58.3497 62.6031 171.0440 42 R 3.9761 8.5699 124.5122 57.2487 30.4307 176.1414 43 N 4.8184 8.7905 116.5432 54.5911 35.9294 176.8277 44 I 3.6733 7.4604 120.5087 64.5020 37.2437 177.6121 45 E 2.0000 7.8837 117.7338 58.3421 28.7571 179.0401 46 S 4.1375 7.4141 114.2973 60.6334 63.7252 175.7865 47 R 4.1701 7.4832 117.0331 55.8993 30.1832 176.7886 48 S 4.4481 6.7637 113.0726 57.6720 63.2713 174.4506 49 T 4.2054 8.4982 115.4135 63.8948 69.1151 173.6209 50 S 4.8491 8.9581 117.3719 56.1067 61.8004 171.7354 51 P 4.6760 0.0000 0.0000 63.2854 33.2275 175.4752 52 W 5.2958 7.9120 117.3703 55.6023 31.7214 173.6491 53 N 4.9630 9.5288 118.0337 52.0111 40.4811 173.7648 54 Y 4.9543 8.6108 120.3209 57.0698 39.8153 175.0852 55 T 4.5149 9.2889 122.1499 61.8489 70.5509 174.2074 56 V 4.5726 8.5833 128.2786 62.5553 32.1042 175.0323 57 T 4.7405 10.5078 119.1736 59.8182 71.1065 173.2848 58 W 5.1002 8.8538 134.4217 55.6166 33.0486 173.9644 59 D 4.7769 7.9372 126.3816 51.9057 43.0126 173.7269 60 P 4.3155 0.0000 0.0000 65.1217 32.1859 176.4811 61 N 4.9789 8.9005 115.5993 52.7131 39.9515 174.3662 62 R 4.9974 7.9104 118.9241 54.5936 33.8415 173.4136 63 Y 5.1965 8.7506 126.4647 54.9957 41.4736 173.3080 64 P 4.3159 0.0000 0.0000 62.2736 32.2697 176.7161 65 S 4.6416 8.5781 116.3671 60.3221 64.2300 173.4036 66 E 4.5773 7.7690 121.9147 54.9231 30.3497 175.7955 67 V 4.4801 9.4352 128.6298 59.9436 33.5886 174.8477 68 V 4.9020 8.4526 125.3470 60.1650 33.4959 175.3203 69 Q 4.8348 9.3532 122.2119 54.2996 33.0135 174.0034 70 A 5.1354 8.8292 125.4643 51.0364 20.9776 176.5013 71 Q 4.5752 9.0667 119.0592 53.8299 32.2930 174.6403 72 C 4.5650 8.9888 121.7102 57.7908 40.3361 173.6693 73 R 4.2397 8.4800 123.7871 57.8846 30.7165 176.5335 74 N 5.0982 7.8885 114.1576 50.9393 42.1437 174.2903 75 L 4.0305 8.7894 122.2648 57.4160 42.8314 176.6074 76 G 5.0505 7.9794 105.9481 44.6415 0.0000 172.1930 77 C 5.3821 8.5958 116.1474 55.1545 44.3551 173.4049 78 I 4.6197 8.5913 123.3985 60.0707 37.9205 176.0838 79 N 4.6193 8.5828 124.8951 51.8541 38.2914 175.9496 80 A 4.0264 8.4669 121.0407 55.3358 18.5194 179.1326 81 Q 3.9929 8.0143 113.9163 57.8759 28.8242 177.5650 82 G 4.0603 8.2924 104.1611 44.9202 0.0000 173.2225 83 K 4.3819 8.9501 120.5452 54.0714 33.5650 175.3198 84 E 4.1944 8.6780 124.3456 56.3365 29.7115 175.5171 85 D 4.5697 9.4911 128.0627 53.9634 41.6728 176.7997 86 I 4.1959 8.2488 126.3784 62.1714 37.9488 177.1882 87 S 4.4206 8.9842 114.3002 59.3169 63.2027 173.5422 88 M 4.8281 7.8453 121.4140 54.0557 35.4526 173.7192 89 N 5.1677 8.7939 122.8698 52.3090 40.9777 173.9650 90 S 5.1852 8.5422 118.1185 56.6552 63.9072 173.6218 91 V 4.6475 8.5924 126.9388 59.2482 34.5947 173.6633 92 P 4.9474 0.0000 0.0000 62.3145 33.3642 174.9183 93 I 4.5167 8.6575 120.6933 59.5877 40.0047 175.0104 94 Q 5.1089 8.6934 124.9218 54.2620 32.0869 174.9868 95 Q 4.5566 8.9800 119.9204 54.1802 33.3627 173.8523 96 E 4.6036 8.7815 124.3284 55.9793 30.7235 175.1554 97 T 4.7634 8.8429 120.2560 60.3624 71.8671 171.8319 98 L 5.0190 8.3887 123.9406 53.0847 43.5963 176.5762 99 V 4.6766 8.3799 115.7411 59.4842 36.6287 174.7514 100 V 4.5644 8.2180 122.8337 60.4391 33.1739 174.8499 101 R 4.6301 9.0856 127.6064 55.5665 31.0382 176.0826 102 R 4.4134 9.2675 128.5497 56.4317 31.2909 176.6372 103 K 4.5850 7.5862 125.7120 53.6003 35.3733 178.6655 *104 H 3.9868 8.8294 118.6709 56.3962 27.5504 176.8389 *110 S 4.3771 7.7891 119.5598 59.3469 63.0930 174.0223 111 F 5.1138 8.3497 121.9341 55.2336 41.5136 174.4285 112 Q 4.7601 8.8623 124.6532 54.1532 32.5363 173.6560 113 L 5.2102 8.5563 125.2563 54.6958 42.9520 175.1499 114 E 4.7852 9.5644 119.6120 55.1248 34.7721 174.1413 115 K 4.8816 8.5521 121.3751 55.7876 33.3916 176.7798 116 V 4.3305 8.6252 124.4411 59.7757 34.3262 174.7350 117 L 4.8216 8.6362 127.2445 54.1250 41.8480 174.9177 118 V 4.2369 8.4165 126.5601 61.6125 33.6572 174.5584 119 T 4.5797 8.5450 124.3273 63.0121 69.1990 175.3431 120 V 3.6995 8.7711 127.7496 64.9915 32.8549 175.5429 121 G 2.3328 6.5529 104.3161 45.5492 0.0000 172.6206 122 C 5.4043 6.2296 115.6451 55.2604 44.8633 173.6920 123 T 4.8183 8.9050 115.4366 60.4995 71.2219 171.5712 124 C 5.2082 8.7761 125.6254 55.4148 40.4838 172.9685 125 V 4.7170 8.6145 120.3033 59.2757 34.5326 175.2989 126 T 4.2584 8.5484 115.8487 60.9508 69.0623 172.7263 127 P 4.3678 0.0000 0.0000 62.7859 32.0695 175.6372 128 V 4.3135 8.1344 113.2824 59.7021 32.9162 175.7381 129 I 4.4656 8.2087 117.8803 59.0344 39.8308 174.2487 130 H 4.7039 8.6202 121.9161 54.7793 31.4211 172.8376 131 H 4.9369 8.6184 123.6999 54.4837 30.6476 175.5197 132 V 4.0783 8.0720 114.0688 61.7700 32.4340 175.6497 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 24 S 8.33 4.49 0.00 3.65 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 25 M 8.69 4.51 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 26 K 8.85 4.19 0.00 1.82 1.61 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 0.99 7.81 27 L 8.24 4.38 0.00 1.57 1.54 0.80 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.95 4.99 0.00 2.60 2.52 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 29 I 8.58 3.69 1.84 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 1.33 0.49 0.89 0.00 0.00 30 G 8.30 3.55 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 31 I 8.33 3.24 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.94 0.00 0.00 32 I 7.94 3.88 1.88 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 1.30 0.47 0.91 0.00 0.00 33 N 9.07 4.16 0.00 2.82 2.85 0.00 0.00 7.09 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 34 E 8.21 4.10 0.00 2.04 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 2.26 2.14 0.00 35 N 7.91 4.84 0.00 2.74 2.68 0.00 0.00 6.36 7.46 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 36 Q 7.79 4.62 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 37 R 8.35 4.59 0.00 1.85 1.68 0.00 3.33 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 38 V 8.41 3.74 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 1.03 0.00 0.00 0.93 0.00 0.00 39 S 8.45 4.66 0.00 4.01 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 40 M 8.11 3.97 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 41 S 8.91 4.11 0.00 3.65 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 42 R 8.57 3.98 0.00 1.78 1.92 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 43 N 8.79 4.82 0.00 2.92 2.87 0.00 0.00 7.62 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 44 I 7.46 3.67 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.41 1.10 0.00 0.00 45 E 7.88 2.00 0.00 1.16 1.55 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 2.08 2.22 0.00 46 S 7.41 4.14 0.00 3.85 3.85 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 47 R 7.48 4.17 0.00 1.86 1.93 0.00 3.13 0.00 0.00 3.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 48 S 6.76 4.45 0.00 3.94 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.50 4.21 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 50 S 8.96 4.85 0.00 3.79 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 51 P 0.00 4.68 0.00 2.03 2.00 0.00 3.61 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 2.08 2.30 0.00 52 W 7.91 5.30 0.00 3.15 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 53 N 9.53 4.96 0.00 2.65 2.80 0.00 0.00 7.34 7.43 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 54 Y 8.61 4.95 0.00 2.95 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 55 T 9.29 4.51 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 1.28 0.00 0.00 56 V 8.58 4.57 2.18 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 1.05 0.00 0.00 1.07 0.00 0.00 57 T 10.51 4.74 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 1.27 0.00 0.00 58 W 8.85 5.10 0.00 3.47 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 59 D 7.94 4.78 0.00 2.55 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 0.00 0.00 0.00 60 P 0.00 4.32 0.00 2.24 2.29 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 61 N 8.90 4.98 0.00 2.58 2.81 0.00 0.00 6.34 7.63 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 62 R 7.91 5.00 0.00 1.77 1.60 0.00 3.06 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 63 Y 8.75 5.20 0.00 3.03 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 64 P 0.00 4.32 0.00 1.88 1.73 0.00 3.45 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.41 0.00 65 S 8.58 4.64 0.00 2.72 3.78 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 66 E 7.77 4.58 0.00 2.41 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 2.41 2.69 0.00 67 V 9.44 4.48 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 0.79 0.00 0.00 0.94 0.00 0.00 68 V 8.45 4.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.15 0.00 0.00 69 Q 9.35 4.83 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 70 A 8.83 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.07 4.58 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 72 C 8.99 4.56 0.00 2.86 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 73 R 8.48 4.24 0.00 1.82 1.96 0.00 3.19 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 74 N 7.89 5.10 0.00 2.69 2.82 0.00 0.00 6.91 7.85 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 75 L 8.79 4.03 0.00 1.60 1.73 0.92 0.87 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 76 G 7.98 5.05 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 0.00 77 C 8.60 5.38 0.00 2.88 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 78 I 8.59 4.62 1.88 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 1.29 0.51 0.91 0.00 0.00 79 N 8.58 4.62 0.00 2.90 2.97 0.00 0.00 6.45 6.99 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 80 A 8.47 4.03 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 81 Q 8.01 3.99 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 82 G 8.29 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 83 K 8.95 4.38 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 84 E 8.68 4.19 0.00 1.93 1.90 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 2.30 2.31 0.00 85 D 9.49 4.57 0.00 2.69 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 86 I 8.25 4.20 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 0.72 0.91 0.00 0.00 87 S 8.98 4.42 0.00 3.94 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 88 M 7.85 4.83 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 89 N 8.79 5.17 0.00 2.72 2.70 0.00 0.00 6.26 7.56 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 90 S 8.54 5.19 0.00 4.02 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 91 V 8.59 4.65 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 0.87 0.00 0.00 0.90 0.00 0.00 92 P 0.00 4.95 0.00 1.97 1.99 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 93 I 8.66 4.52 1.70 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 1.14 0.51 0.84 0.00 0.00 94 Q 8.69 5.11 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 95 Q 8.98 4.56 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 96 E 8.78 4.60 0.00 1.96 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 2.25 2.29 0.00 97 T 8.84 4.76 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 98 L 8.39 5.02 0.00 1.52 1.54 0.91 0.82 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 99 V 8.38 4.68 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 0.75 0.00 0.00 0.95 0.00 0.00 100 V 8.22 4.56 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 0.93 0.00 0.00 1.13 0.00 0.00 101 R 9.09 4.63 0.00 1.88 1.96 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 102 R 9.27 4.41 0.00 1.77 1.75 0.00 3.73 0.00 0.00 3.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 103 K 7.59 4.59 0.00 1.60 1.52 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.22 7.81 *104 H 8.83 3.99 0.00 2.92 2.98 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 S 7.79 4.38 0.00 3.44 3.85 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 0.00 111 F 8.35 5.11 0.00 2.90 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 0.00 112 Q 8.86 4.76 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 113 L 8.56 5.21 0.00 1.77 1.67 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.56 4.79 0.00 1.85 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 2.30 0.00 115 K 8.55 4.88 0.00 1.63 1.73 0.00 1.64 0.00 0.00 2.15 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 116 V 8.63 4.33 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 0.79 0.00 0.00 0.91 0.00 0.00 117 L 8.64 4.82 0.00 1.64 1.64 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.42 4.24 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 1.00 0.00 0.00 0.92 0.00 0.00 119 T 8.54 4.58 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 1.11 0.00 0.00 120 V 8.77 3.70 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 0.72 0.00 0.00 0.90 0.00 0.00 121 G 6.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 6.23 5.40 0.00 3.15 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 0.00 123 T 8.91 4.82 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 124 C 8.78 5.21 0.00 3.05 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 0.00 125 V 8.61 4.72 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 0.79 0.00 0.00 0.93 0.00 0.00 126 T 8.55 4.26 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 0.00 127 P 0.00 4.37 0.00 2.06 2.05 0.00 3.69 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 2.16 2.33 0.00 128 V 8.13 4.31 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 0.75 0.00 0.00 0.93 0.00 0.00 129 I 8.21 4.47 1.77 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.90 0.00 0.00 130 H 8.62 4.70 0.00 3.09 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.62 4.94 0.00 3.17 3.21 0.00 5.70 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 0.00 132 V 8.07 4.08 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 0.73 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.