NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.2975 8.4444 118.8016 56.3238 31.6611 175.8491 11 S 3.9301 7.8664 114.9307 56.9902 62.8370 172.2769 12 R 4.5517 9.0021 124.7916 55.8111 32.1673 175.4037 13 I 4.4990 6.7273 118.4684 59.1856 40.2441 174.9448 14 F 4.8439 8.5048 121.9884 55.8266 42.4862 174.3497 15 S 4.6603 8.8007 121.6832 57.1753 64.1097 175.3213 16 V 3.7006 8.6274 125.3777 65.9857 31.4790 177.7038 17 D 4.4148 8.0403 117.7824 55.9050 39.4344 177.1229 18 E 4.0648 7.9925 118.5826 58.1219 29.6522 176.8661 19 Y 4.2710 7.6785 114.4285 57.7595 39.4048 176.7055 20 V 3.7303 7.7020 113.4496 61.6086 32.2206 176.5614 21 R 4.4735 7.9016 122.1497 52.7944 30.2209 172.6339 22 P 4.1480 0.0000 0.0000 62.6344 32.3303 176.2481 23 S 4.6971 8.5206 118.0191 56.9757 66.1190 175.2999 24 N 4.3523 9.1301 121.0663 55.3074 37.8492 173.9226 25 G 4.0525 7.8300 109.8128 44.6967 0.0000 172.7722 26 E 3.9495 8.8594 114.6459 55.7271 29.9945 171.3949 27 P 4.6000 0.0000 0.0000 61.5133 32.0481 175.7456 28 I 4.0531 8.1108 122.2710 60.2699 37.9463 176.5765 29 R 2.5100 7.9796 125.7921 55.3320 28.4070 174.6283 30 S 4.2218 7.3464 118.0951 56.7475 62.9017 172.5119 31 V 3.8215 7.9123 127.9364 62.6011 31.4242 175.7651 32 V 3.0548 8.3403 129.1564 65.0548 31.8121 176.0490 33 L 4.3228 7.1283 120.8943 53.6627 45.4664 172.8433 34 E 5.1245 8.7585 127.1309 54.6537 32.2404 174.7286 35 T 4.7625 8.7488 115.6892 59.7166 72.4412 174.4212 36 N 4.4443 8.6198 117.5449 55.9672 38.5085 177.2546 37 D 4.4823 8.0533 117.6004 56.4867 41.8301 176.0414 38 S 4.8782 8.0141 112.7399 57.4166 68.1703 173.7817 39 V 4.4833 8.8452 122.9161 61.1771 33.7339 174.3866 40 V 4.7755 8.6549 128.3722 61.1405 33.7816 174.4450 41 V 4.5432 8.6373 127.0880 61.0007 35.4202 173.9223 42 V 4.4486 8.3371 127.2289 61.1023 33.3243 174.4273 43 W 4.6550 8.1715 127.7343 55.0533 31.9458 174.5159 44 H 5.1870 8.7838 121.7836 54.4524 32.4810 171.9818 45 A 5.0164 8.9032 127.7499 50.1627 21.4757 175.4312 46 H 4.6467 9.8290 120.5484 54.9541 30.3316 173.5441 47 P 4.4016 0.0000 0.0000 64.7696 31.4654 177.2699 48 G 4.0069 9.4062 111.1110 45.4278 0.0000 173.3070 49 Q 4.5151 8.1437 119.1490 54.9992 29.9633 174.8138 50 E 4.8154 8.7480 123.7045 54.7117 31.8875 175.0685 51 I 4.3334 8.8689 127.8510 59.6924 38.3610 175.2096 52 A 4.3834 8.6727 129.5235 52.2201 19.1778 177.1284 53 S 4.6857 8.7097 117.3577 59.0769 64.5108 172.9536 54 H 5.1577 8.6386 118.0413 54.7118 32.4147 172.3555 55 V 4.6129 8.5522 117.7163 60.2572 35.2261 174.5404 56 H 5.2491 8.5513 119.6124 52.8933 29.5910 173.4449 57 P 4.2560 0.0000 0.0000 65.1334 31.3628 176.9058 58 H 5.0582 7.9411 114.4934 54.7014 29.9674 172.6522 59 G 4.2664 7.9512 104.4911 45.5594 0.0000 172.0489 60 Q 4.9412 9.2512 121.5580 54.3006 31.6236 173.7744 61 D 5.3865 8.9555 125.0454 53.0147 44.0669 174.5421 62 T 4.9695 9.1218 124.1194 61.8773 70.6770 173.5931 63 W 5.6097 9.4016 127.6439 55.6065 31.5559 175.5725 64 T 4.9769 9.1997 121.2973 61.7186 71.0116 173.3844 65 V 4.1005 8.8051 127.9381 62.8756 32.1765 176.5476 66 I 4.0294 8.8220 129.7363 63.7387 38.0038 176.1796 67 S 4.5025 7.9674 114.1874 58.2263 66.1091 174.7411 68 G 4.5397 9.9356 110.6589 45.9537 0.0000 171.4956 69 E 5.1579 8.3301 116.0596 54.9355 33.4737 174.9181 70 A 4.3620 8.5058 124.4369 50.3761 23.8118 174.3236 71 E 4.6524 8.2816 118.2508 55.6051 31.2912 175.2216 72 Y 4.9223 9.2802 127.1559 57.1281 40.5837 173.6608 73 H 5.0687 8.7827 124.8192 54.6736 30.1589 175.6831 74 Q 4.0108 8.2425 121.5096 54.3220 29.2359 176.9637 75 G 3.8975 7.4969 103.3776 45.8627 0.0000 172.8813 76 N 4.1879 9.3480 112.5875 54.0977 36.0565 175.8290 77 G 3.8388 8.3145 104.1450 45.7388 0.0000 174.3374 78 I 4.0282 7.5961 122.0548 60.7647 38.2799 175.1666 79 V 4.9182 8.3822 126.5749 61.2943 33.9938 174.4639 80 T 4.8108 8.9392 117.2584 60.1578 72.5176 171.9553 81 H 5.1787 8.7564 121.9688 54.6946 31.5816 173.7729 82 L 5.1659 8.6087 125.4142 52.8501 45.0250 175.5191 83 K 5.3595 9.5869 120.8151 54.4190 36.9332 175.2095 84 A 4.2561 8.1839 122.5347 54.5057 18.3743 178.2930 85 G 3.9896 9.0982 110.9777 45.1198 0.0000 173.0569 86 D 4.8581 8.0936 119.7645 53.2928 42.9501 175.3546 87 I 4.9892 8.2545 121.4566 59.5153 39.7460 174.7684 88 A 4.4272 8.9356 128.4184 49.9060 21.5119 174.8404 89 I 4.8034 8.2343 122.6426 59.2490 40.2158 174.7965 90 A 4.7142 8.6834 129.0687 50.0067 21.1359 176.4898 91 K 4.5855 9.3627 122.9199 54.9402 34.1248 175.1211 92 P 4.7614 0.0000 0.0000 64.0122 31.3879 177.3388 93 G 3.9048 8.9002 111.3308 45.1825 0.0000 172.9341 94 Q 4.4088 7.6214 119.2033 54.4073 29.5526 176.1214 95 V 4.0183 8.2304 124.3160 63.3081 33.1058 174.2826 96 H 5.1099 8.1309 121.7052 54.2804 32.3760 172.7212 97 G 4.5062 7.9274 106.0143 47.0082 0.0000 170.4506 98 A 4.8503 8.2701 120.0242 52.1525 23.7046 175.7488 *100 N 4.6151 8.8390 109.9674 54.1309 39.6239 175.9711 101 S 4.5188 8.4969 116.5114 57.8502 63.7738 174.7350 102 G 4.1432 7.9247 110.4174 43.5103 0.0000 172.4050 103 P 4.4809 0.0000 0.0000 63.6847 31.9383 175.8045 104 E 4.8562 7.6898 117.8619 53.6959 32.4083 174.0161 105 P 4.5460 0.0000 0.0000 62.9956 33.0089 175.2172 106 F 5.2862 8.9606 125.6871 56.8489 41.2384 174.3606 107 I 4.9493 8.3714 127.3207 59.3962 40.7091 174.7786 108 F 5.1401 8.1289 120.0980 55.6531 41.9993 172.9409 109 V 4.5751 8.8856 120.2391 61.3497 33.5313 174.1539 110 S 5.4722 9.2228 123.3079 56.6746 64.8110 172.6584 111 V 4.7643 9.1732 127.6794 61.3352 33.5680 174.0781 112 V 4.8269 8.8338 129.2016 61.6952 33.3790 174.6207 113 A 5.0583 9.0862 129.3027 49.6214 21.9461 174.1353 114 P 5.0021 0.0000 0.0000 61.6684 33.0305 177.1463 115 G 3.9455 8.8323 106.3479 46.5927 0.0000 174.0948 116 N 5.1220 7.2515 118.0605 52.5210 38.6078 174.6151 117 A 4.4233 8.1211 117.6447 50.8871 19.6392 178.0895 118 G 3.8920 8.1012 105.7754 47.0228 0.0000 171.8698 119 F 5.1974 8.2647 118.0703 57.0018 42.3331 173.0378 120 A 4.5360 8.2377 126.4000 49.8000 22.7801 175.5355 121 L 4.4136 8.2492 119.1793 55.1254 42.7428 175.8515 122 A 4.5458 8.4270 121.8331 51.3665 23.0983 175.2983 123 E 4.4547 8.4573 118.3910 54.3984 31.2509 177.0934 124 K 4.0323 8.4641 121.0742 57.1842 32.5986 176.6841 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 10 E 8.44 4.30 0.00 2.34 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 0.00 2.17 1.88 0.00 11 S 7.87 3.93 0.00 3.79 3.49 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 12 R 9.00 4.55 0.00 1.74 1.90 0.00 3.21 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 13 I 6.73 4.50 1.70 0.00 0.00 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 1.25 0.51 0.86 0.00 0.00 14 F 8.50 4.84 0.00 2.78 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 15 S 8.80 4.66 0.00 3.95 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 16 V 8.63 3.70 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 0.99 0.00 0.00 0.92 0.00 0.00 17 D 8.04 4.41 0.00 2.80 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 18 E 7.99 4.06 0.00 2.14 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 2.30 2.28 0.00 19 Y 7.68 4.27 0.00 2.92 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 20 V 7.70 3.73 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 0.74 0.00 0.00 0.88 0.00 0.00 21 R 7.90 4.47 0.00 1.63 1.74 0.00 3.31 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 22 P 0.00 4.15 0.00 1.98 1.79 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 23 S 8.52 4.70 0.00 3.96 3.91 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 24 N 9.13 4.35 0.00 2.76 2.78 0.00 0.00 6.72 7.51 0.00 0.00 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 G 7.83 4.05 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 26 E 8.86 3.95 0.00 1.99 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 2.24 1.95 0.00 27 P 0.00 4.60 0.00 2.45 2.52 0.00 3.84 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 28 I 8.11 4.05 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 1.27 0.50 0.77 0.00 0.00 29 R 7.98 2.51 0.00 1.35 1.56 0.00 3.37 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.00 30 S 7.35 4.22 0.00 3.79 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 31 V 7.91 3.82 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 0.66 0.00 0.00 0.82 0.00 0.00 32 V 8.34 3.05 1.62 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 -0.65 0.00 0.00 0.39 0.00 0.00 33 L 7.13 4.32 0.00 1.19 1.12 0.89 0.72 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 34 E 8.76 5.12 0.00 1.90 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 2.14 2.23 0.00 35 T 8.75 4.76 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 1.19 0.00 0.00 36 N 8.62 4.44 0.00 2.78 2.92 0.00 0.00 6.80 8.08 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 37 D 8.05 4.48 0.00 2.70 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 38 S 8.01 4.88 0.00 3.74 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 39 V 8.85 4.48 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 0.98 0.00 0.00 0.95 0.00 0.00 40 V 8.65 4.78 1.85 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 0.78 0.00 0.00 0.86 0.00 0.00 41 V 8.64 4.54 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 0.01 0.00 0.00 0.78 0.00 0.00 42 V 8.34 4.45 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 0.77 0.00 0.00 0.79 0.00 0.00 43 W 8.17 4.65 0.00 1.78 2.42 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 0.00 0.00 0.00 44 H 8.78 5.19 0.00 3.03 3.05 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.90 5.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.83 4.65 0.00 3.22 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.08 2.24 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 48 G 9.41 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 49 Q 8.14 4.52 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 50 E 8.75 4.82 0.00 2.01 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 0.00 2.26 2.60 0.00 51 I 8.87 4.33 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 1.08 0.58 0.49 0.00 0.00 52 A 8.67 4.38 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 53 S 8.71 4.69 0.00 3.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.64 5.16 0.00 2.76 3.26 0.00 5.21 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 55 V 8.55 4.61 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 0.57 0.00 0.00 0.97 0.00 0.00 56 H 8.55 5.25 0.00 3.39 3.39 0.00 6.10 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.26 0.00 1.75 1.99 0.00 3.83 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 2.01 2.06 0.00 58 H 7.94 5.06 0.00 3.11 3.28 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.95 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 60 Q 9.25 4.94 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 61 D 8.96 5.39 0.00 2.98 2.43 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 62 T 9.12 4.97 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 1.27 0.00 0.00 63 W 9.40 5.61 0.00 3.15 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 64 T 9.20 4.98 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 1.26 0.00 0.00 65 V 8.81 4.10 2.31 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 1.20 0.00 0.00 1.12 0.00 0.00 66 I 8.82 4.03 1.96 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 1.10 0.94 0.91 0.00 0.00 67 S 7.97 4.50 0.00 3.87 3.65 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 0.00 0.00 0.00 0.00 68 G 9.94 4.54 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 0.00 69 E 8.33 5.16 0.00 1.85 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 0.00 2.29 2.38 0.00 70 A 8.51 4.36 -0.22 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 71 E 8.28 4.65 0.00 1.87 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 2.37 2.27 0.00 72 Y 9.28 4.92 0.00 2.84 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 73 H 8.78 5.07 0.00 2.92 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.24 4.01 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 75 G 7.50 3.90 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 0.00 0.00 0.00 76 N 9.35 4.19 0.00 2.78 2.85 0.00 0.00 6.95 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 77 G 8.31 3.84 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 0.00 0.00 0.00 78 I 7.60 4.03 1.88 0.00 0.00 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 1.07 0.74 0.91 0.00 0.00 79 V 8.38 4.92 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 0.87 0.00 0.00 0.97 0.00 0.00 80 T 8.94 4.81 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 1.24 0.00 0.00 81 H 8.76 5.18 0.00 3.14 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.61 5.17 0.00 1.48 1.58 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.59 5.36 0.00 1.78 1.94 0.00 1.39 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.41 7.81 84 A 8.18 4.26 1.39 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 0.00 0.00 85 G 9.10 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 86 D 8.09 4.86 0.00 2.77 2.55 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 87 I 8.25 4.99 1.85 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 1.30 0.60 0.90 0.00 0.00 88 A 8.94 4.43 0.19 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 89 I 8.23 4.80 1.81 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 0.66 0.87 0.00 0.00 90 A 8.68 4.71 0.95 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 0.00 0.00 91 K 9.36 4.59 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.39 7.81 92 P 0.00 4.76 0.00 2.04 2.18 0.00 3.75 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 2.06 2.10 0.00 93 G 8.90 3.90 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 0.00 0.00 0.00 94 Q 7.62 4.41 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 95 V 8.23 4.02 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 0.91 0.00 0.00 0.83 0.00 0.00 96 H 8.13 5.11 0.00 2.61 2.91 0.00 5.63 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 97 G 7.93 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.85 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 *100 N 8.84 4.62 0.00 2.99 3.05 0.00 0.00 6.67 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 0.00 101 S 8.50 4.52 0.00 4.02 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 0.00 102 G 7.92 4.14 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 0.00 103 P 0.00 4.48 0.00 2.22 2.20 0.00 3.76 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 2.01 2.00 0.00 104 E 7.69 4.86 0.00 1.91 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 2.25 2.29 0.00 105 P 0.00 4.55 0.00 2.06 1.85 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 106 F 8.96 5.29 0.00 3.14 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 0.00 107 I 8.37 4.95 1.79 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 1.20 0.55 0.82 0.00 0.00 108 F 8.13 5.14 0.00 2.96 2.66 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 0.00 0.00 0.00 0.00 109 V 8.89 4.58 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 0.92 0.00 0.00 0.89 0.00 0.00 110 S 9.22 5.47 0.00 4.18 3.97 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 0.00 0.00 0.00 0.00 111 V 9.17 4.76 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 1.00 0.00 0.00 0.97 0.00 0.00 112 V 8.83 4.83 2.13 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 0.86 0.00 0.00 1.12 0.00 0.00 113 A 9.09 5.06 1.26 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 0.00 0.00 0.00 114 P 0.00 5.00 0.00 2.15 2.24 0.00 4.02 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 2.10 1.84 0.00 115 G 8.83 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 0.00 0.00 0.00 116 N 7.25 5.12 0.00 2.91 2.80 0.00 0.00 6.85 7.23 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 0.00 117 A 8.12 4.42 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 0.00 118 G 8.10 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 0.00 119 F 8.26 5.20 0.00 3.10 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 0.00 120 A 8.24 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.25 4.41 0.00 1.52 1.60 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.43 4.55 1.07 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 0.00 0.00 123 E 8.46 4.45 0.00 1.98 1.82 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 2.30 2.24 0.00 124 K 8.46 4.03 0.00 1.68 1.80 0.00 1.21 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.