NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1698 8.2531 123.5809 52.3728 20.3897 178.2572 3 G 3.7943 8.2584 100.8949 45.0878 0.0000 170.2180 4 E 4.1625 8.5888 120.8057 56.4038 31.3218 175.1947 5 T 4.4357 8.1318 119.1681 62.0262 69.4023 172.9843 6 V 4.5464 8.1375 126.4526 62.3430 32.6178 174.8727 7 I 4.8379 8.9014 120.1985 59.7270 41.6681 173.7223 8 T 5.1898 8.4716 118.7740 61.8377 71.0186 173.9100 9 V 4.5337 8.9934 125.2150 61.0173 35.3260 174.1598 10 V 4.7321 8.0399 125.7499 61.3597 34.1544 175.1947 11 G 4.0631 7.9007 112.3835 46.6300 0.0000 171.2196 12 N 5.6676 8.0359 117.0357 50.9948 42.1384 174.5706 13 L 4.5535 8.4929 122.7280 55.3773 42.1580 178.3592 14 V 4.0155 9.2534 124.1039 64.7750 32.2264 175.1766 15 D 4.8140 7.8105 117.4051 51.5265 42.3577 174.3714 16 D 4.5020 8.3731 119.3785 53.4689 41.4191 174.9392 17 P 4.7303 0.0000 0.0000 62.9662 32.4741 175.4264 18 E 4.5939 9.2114 123.0950 54.6376 31.6762 174.6500 19 L 4.6944 8.4527 127.0648 54.0201 43.4918 175.4620 20 R 4.8214 8.6573 124.4646 54.3699 34.7298 173.9641 21 F 5.3675 8.4967 117.0514 56.1419 43.0220 175.5296 22 T 4.4365 9.0577 112.8253 60.0854 69.9828 173.8737 23 P 4.3885 0.0000 0.0000 65.8609 31.2650 177.9951 24 S 4.2558 8.0435 110.0023 59.2380 63.3934 174.8605 25 G 3.9580 8.6790 110.0143 45.0107 0.0000 173.1561 26 A 4.4011 7.9841 122.7202 51.4075 19.3906 177.7795 27 A 4.0923 8.8400 124.9548 51.8995 20.2056 176.7409 28 V 4.2546 8.1016 119.6341 59.9144 34.9914 173.6562 29 A 5.1070 8.8873 127.3838 49.8755 21.5129 175.1436 30 K 5.0231 8.5663 121.8843 54.7307 35.5717 175.3359 31 F 5.2251 8.1342 116.4610 56.1700 41.7704 172.8894 32 R 4.9770 8.9583 119.5063 55.1391 32.1604 175.4569 33 V 4.8769 9.0365 123.6373 61.2232 34.2114 174.0797 34 A 4.7059 9.2894 129.8564 50.2709 21.1654 175.2110 35 S 4.8145 8.9191 118.6185 57.0237 64.5814 172.9167 36 T 4.7529 8.2743 123.9074 61.0476 70.4259 172.2680 37 P 4.5674 0.0000 0.0000 62.1342 32.5345 176.0537 38 R 4.7442 8.3772 119.8835 54.1569 32.1897 174.6297 *49 D 4.4252 8.4956 118.4181 54.5590 41.9849 176.0842 50 G 3.9954 9.0538 112.0670 45.1656 0.0000 172.5913 51 E 4.3303 8.6425 120.4623 56.3601 30.3166 177.1984 52 S 4.6154 8.5755 121.4217 57.5994 64.7520 173.1564 53 L 4.4476 8.7547 125.9136 53.9590 43.3725 175.0182 54 F 5.3486 8.8747 124.9026 55.7837 41.2555 175.0638 55 L 4.8951 8.8221 122.7361 53.2095 45.9314 175.7487 56 T 4.6037 8.6158 120.2303 63.4024 69.8915 173.3461 57 C 5.2172 8.9812 124.8267 57.7992 31.2699 173.0579 58 S 4.9906 8.7192 116.4030 56.4477 65.9029 172.9663 59 V 4.7913 8.6472 123.0548 60.8887 34.3665 174.1832 60 W 4.9632 8.6831 125.1704 55.4180 32.3414 177.6289 61 R 3.6739 9.1533 120.2456 57.2158 28.5704 178.5359 62 Q 3.9805 9.0067 120.4615 60.5578 28.9033 178.3699 63 A 3.9782 8.2223 120.8026 55.3054 18.2025 179.0043 64 A 3.9188 7.8008 118.5231 55.6567 18.3520 179.8434 65 E 3.9080 8.0775 116.2776 59.6037 29.6384 179.0622 66 N 4.3176 8.3845 116.6898 56.1784 38.4449 177.7471 67 V 3.4643 8.2551 119.8094 65.9790 31.5135 177.7541 68 A 3.9218 7.9641 119.4513 55.3210 18.1943 178.9863 69 E 4.0126 8.1336 116.6457 59.4958 29.8768 178.7206 70 S 4.3146 8.0936 113.8678 59.3596 63.4275 174.5251 71 L 4.6310 7.2816 120.3839 53.2199 43.6523 175.1572 72 Q 4.4975 7.9046 117.3210 54.4891 31.4537 173.5174 73 R 4.0731 8.9484 118.8589 58.4823 30.1682 176.0325 74 G 4.0640 8.9153 113.6011 45.4998 0.0000 173.8811 75 M 4.2270 7.7641 119.5079 55.3594 33.4358 175.4397 76 R 4.9756 8.4626 122.5458 55.4059 32.0739 175.4369 77 V 5.0198 9.1456 118.7673 59.5121 36.5028 174.1040 78 I 4.9441 8.5629 122.1929 59.4227 40.5836 174.6117 79 V 5.0370 9.0049 122.4553 59.5592 35.5206 174.2781 80 Q 4.9899 8.7264 125.6035 54.7705 31.9094 174.7995 81 G 3.8773 8.4296 111.4020 46.2893 0.0000 171.0977 82 R 5.1210 8.4883 120.5020 54.1603 32.6637 175.4218 83 L 4.6747 8.8771 127.8302 54.9511 42.6824 176.1546 84 K 4.8022 9.5938 124.8647 54.6783 37.0066 174.7412 85 Q 4.7319 8.5397 122.4131 54.3028 31.6332 174.7184 86 R 4.7047 9.1611 124.7261 54.4078 33.9622 174.9971 87 S 4.6496 8.4703 118.3665 56.7387 64.7430 173.9117 *97 T 4.2050 8.3336 115.0399 61.5221 69.7016 173.4718 98 V 4.4609 8.0072 119.0370 60.0697 34.0049 174.4312 99 Y 4.9190 8.7111 121.4975 56.8156 39.6022 174.8593 100 E 4.9555 9.9052 122.9632 54.5705 34.9438 174.2164 101 L 4.9971 8.8265 124.2042 53.5326 44.5732 175.3881 102 D 5.0756 9.0662 128.3622 53.4328 41.4546 175.9454 103 V 4.1146 8.6025 125.0441 62.9472 31.5687 175.5223 104 D 4.8352 9.2259 127.7258 55.4827 42.4857 176.7083 105 E 4.8801 7.9995 118.7064 54.4462 33.3562 174.4083 106 V 4.9183 8.5917 125.4278 59.9473 34.3972 174.8961 107 G 4.3027 9.1735 111.3306 43.9805 0.0000 171.6708 108 A 4.6017 8.5332 124.9453 51.1119 18.9781 177.4377 109 S 4.1429 8.7400 118.8507 58.4999 63.0386 174.0183 110 L 4.8067 8.2693 124.5042 53.9240 41.9517 177.4825 111 R 4.1533 7.8800 120.0044 59.0411 30.1306 178.9200 112 S 4.7014 7.5641 109.5193 56.6809 63.1624 173.0786 113 A 4.5292 7.6993 120.7987 52.6892 21.8924 176.0218 114 T 4.5288 8.2470 109.4504 59.7795 71.3789 173.7548 115 A 4.5467 8.1072 123.8284 50.2428 22.0128 175.6718 116 K 4.2984 8.5995 123.2276 54.7738 32.5990 175.6192 117 V 4.1796 8.2012 126.6636 61.5219 32.6300 174.9539 118 T 4.5672 8.2093 123.3592 61.2493 70.6661 174.0706 119 K 4.1163 8.6401 126.7810 56.6107 32.8306 177.1916 120 T 4.1634 8.4002 111.9409 61.9144 69.0257 174.5504 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 A 8.25 4.17 1.31 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 3 G 8.26 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 0.00 0.00 0.00 4 E 8.59 4.16 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 2.30 2.26 0.00 5 T 8.13 4.44 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 6 V 8.14 4.55 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 0.84 0.00 0.00 0.93 0.00 0.00 7 I 8.90 4.84 1.88 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 0.75 0.93 0.00 0.00 8 T 8.47 5.19 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 1.27 0.00 0.00 9 V 8.99 4.53 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 0.94 0.00 0.00 10 V 8.04 4.73 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 0.85 0.00 0.00 0.93 0.00 0.00 11 G 7.90 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 12 N 8.04 5.67 0.00 2.62 2.68 0.00 0.00 7.46 6.36 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 13 L 8.49 4.55 0.00 1.71 1.75 0.75 0.21 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 14 V 9.25 4.02 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 0.85 0.00 0.00 1.21 0.00 0.00 15 D 7.81 4.81 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 16 D 8.37 4.50 0.00 2.69 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 17 P 0.00 4.73 0.00 1.92 2.04 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 18 E 9.21 4.59 0.00 1.94 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 2.23 2.10 0.00 19 L 8.45 4.69 0.00 1.55 1.51 0.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.66 4.82 0.00 1.57 1.68 0.00 3.18 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 21 F 8.50 5.37 0.00 2.86 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 22 T 9.06 4.44 4.38 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 1.49 0.00 0.00 23 P 0.00 4.39 0.00 2.10 2.21 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 24 S 8.04 4.26 0.00 4.02 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 25 G 8.68 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 0.00 0.00 0.00 26 A 7.98 4.40 1.44 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 27 A 8.84 4.09 1.12 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 0.00 0.00 28 V 8.10 4.25 0.94 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 0.49 0.00 0.00 -0.33 0.00 0.00 29 A 8.89 5.11 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 30 K 8.57 5.02 0.00 1.61 1.57 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.14 7.81 31 F 8.13 5.23 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 32 R 8.96 4.98 0.00 2.08 2.04 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 33 V 9.04 4.88 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 0.98 0.00 0.00 1.21 0.00 0.00 34 A 9.29 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.92 4.81 0.00 3.84 3.63 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 36 T 8.27 4.75 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 1.17 0.00 0.00 37 P 0.00 4.57 0.00 2.05 1.94 0.00 3.53 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 2.15 2.04 0.00 38 R 8.38 4.74 0.00 1.84 2.00 0.00 3.11 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 *49 D 8.50 4.43 0.00 2.61 2.69 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 50 G 9.05 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 51 E 8.64 4.33 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 2.35 2.40 0.00 52 S 8.58 4.62 0.00 3.54 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 53 L 8.75 4.45 0.00 1.64 1.54 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.87 5.35 0.00 2.94 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 55 L 8.82 4.90 0.00 1.58 1.52 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.62 4.60 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 1.14 0.00 0.00 57 C 8.98 5.22 0.00 1.62 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 58 S 8.72 4.99 0.00 3.42 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 59 V 8.65 4.79 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 0.93 0.00 0.00 1.07 0.00 0.00 60 W 8.68 4.96 0.00 3.19 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 61 R 9.15 3.67 0.00 2.08 1.87 0.00 3.39 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 62 Q 9.01 3.98 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 63 A 8.22 3.98 1.44 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 64 A 7.80 3.92 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 65 E 8.08 3.91 0.00 2.16 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 2.43 2.41 0.00 66 N 8.38 4.32 0.00 2.87 2.87 0.00 0.00 6.68 7.32 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 67 V 8.26 3.46 2.32 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 1.03 0.00 0.00 0.95 0.00 0.00 68 A 7.96 3.92 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 69 E 8.13 4.01 0.00 1.98 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 0.00 2.31 2.34 0.00 70 S 8.09 4.31 0.00 3.87 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 0.00 71 L 7.28 4.63 0.00 1.46 1.33 0.63 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.90 4.50 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 73 R 8.95 4.07 0.00 1.74 1.90 0.00 3.24 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 74 G 8.92 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 75 M 7.76 4.23 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 76 R 8.46 4.98 0.00 1.97 1.77 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 77 V 9.15 5.02 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 0.53 0.00 0.00 1.06 0.00 0.00 78 I 8.56 4.94 1.88 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 1.25 1.79 0.98 0.00 0.00 79 V 9.00 5.04 2.14 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 0.82 0.00 0.00 1.04 0.00 0.00 80 Q 8.73 4.99 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 81 G 8.43 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 82 R 8.49 5.12 0.00 1.71 1.84 0.00 3.34 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 83 L 8.88 4.67 0.00 1.65 1.70 1.05 0.52 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 84 K 9.59 4.80 0.00 1.64 1.60 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.53 7.81 85 Q 8.54 4.73 0.00 1.43 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 86 R 9.16 4.70 0.00 1.76 1.72 0.00 3.24 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 87 S 8.47 4.65 0.00 3.79 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 *97 T 8.33 4.20 4.07 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 1.16 0.00 0.00 98 V 8.01 4.46 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 0.77 0.00 0.00 0.91 0.00 0.00 99 Y 8.71 4.92 0.00 2.85 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 0.00 100 E 9.91 4.96 0.00 1.78 1.78 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 2.22 2.24 0.00 101 L 8.83 5.00 0.00 1.72 1.47 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.07 5.08 0.00 2.80 2.68 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 0.00 103 V 8.60 4.11 2.26 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 0.86 0.00 0.00 0.90 0.00 0.00 104 D 9.23 4.84 0.00 2.69 2.72 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 0.00 105 E 8.00 4.88 0.00 2.06 1.75 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 2.29 2.39 0.00 106 V 8.59 4.92 2.21 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 0.85 0.00 0.00 1.01 0.00 0.00 107 G 9.17 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 0.00 108 A 8.53 4.60 1.21 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 0.00 0.00 0.00 109 S 8.74 4.14 0.00 3.90 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 0.00 110 L 8.27 4.81 0.00 1.66 1.65 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.88 4.15 0.00 1.81 2.01 0.00 3.26 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 112 S 7.56 4.70 0.00 3.90 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 0.00 113 A 7.70 4.53 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 0.00 114 T 8.25 4.53 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 0.00 115 A 8.11 4.55 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 0.00 116 K 8.60 4.30 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 117 V 8.20 4.18 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 0.88 0.00 0.00 0.93 0.00 0.00 118 T 8.21 4.57 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 0.00 119 K 8.64 4.12 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81 120 T 8.40 4.16 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 1.30 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.