NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6188 8.1076 122.5044 52.4335 20.7125 174.8892 3 F 5.6134 7.7784 111.9609 57.1220 40.4077 171.6691 4 Q 4.6428 9.4488 118.1538 54.4586 33.8622 174.9406 5 L 5.2724 8.3913 120.5310 53.2432 45.5322 176.4910 6 E 4.3404 9.1271 124.3386 55.3952 32.1126 173.3812 7 M 3.9056 8.4404 126.0172 56.2489 32.2278 176.2924 8 V 4.3931 8.4494 117.8792 60.4036 33.3266 175.8513 9 T 3.9706 7.9828 116.3434 63.7618 71.3443 172.8984 10 R 3.6111 7.9800 125.2912 56.6833 28.2665 174.9732 11 E 4.3033 8.7630 122.1516 56.5537 27.4650 173.6916 12 T 5.1473 10.1856 116.5514 61.5991 71.2801 173.6530 13 V 4.5813 8.7386 125.8589 59.7653 34.6896 174.4908 14 V 4.5002 7.8985 123.3260 61.4682 33.4895 174.4750 15 I 4.3713 8.1190 129.4491 59.7667 38.4518 174.7113 16 R 4.5174 8.7491 127.6102 55.4778 31.2840 175.7944 17 L 5.2065 8.5071 124.1753 53.1516 43.9530 176.0736 18 F 4.7449 9.0355 125.1107 57.1240 42.6629 173.9177 19 G 3.9356 8.8383 114.8784 46.2153 0.0000 174.1231 20 E 5.2442 8.8850 124.6900 54.4634 30.8237 174.2568 21 L 4.7660 9.1145 128.0682 53.4234 43.4523 175.5628 22 D 4.9759 8.7407 126.5054 53.0465 40.5953 176.7969 23 H 4.0928 9.1594 118.6557 59.9421 29.7333 176.8397 24 H 4.4776 8.4293 119.3635 59.0112 29.6832 176.9819 25 A 4.0466 9.3451 124.1073 54.8911 18.2444 179.4772 26 V 3.4485 7.7433 116.8398 66.2985 31.5671 178.1685 27 E 3.9037 7.7310 117.7043 59.5632 29.2876 179.2481 28 Q 4.0196 7.6881 117.4836 59.0213 28.8025 179.1993 29 I 3.3831 7.6974 120.9491 64.3769 36.7503 178.4914 30 R 3.9425 8.3627 119.5828 59.1514 29.7684 178.5027 31 A 3.9904 7.8527 120.4175 55.1789 18.5322 179.8289 32 K 3.9819 7.8094 116.6171 59.5046 32.1136 179.9285 33 I 3.6898 7.6807 119.9508 64.6166 37.1437 178.5121 34 S 4.3826 7.7416 115.4218 62.0002 62.6166 177.1324 35 T 3.9534 7.8705 117.5295 66.7334 68.2249 176.4027 36 A 4.0953 7.9950 122.5922 55.3334 18.2409 179.8662 37 I 3.9216 8.2219 119.8316 64.1603 37.0926 178.5374 38 F 4.2094 8.2541 119.8427 61.0322 39.2413 176.3838 39 Q 3.9477 8.5021 116.3019 55.8140 28.7917 176.8622 40 G 3.8088 7.9210 107.7608 45.7114 0.0000 174.4467 41 A 4.1696 8.1439 124.0092 53.2148 18.7328 178.2559 42 V 4.7969 7.5635 115.6968 61.5189 34.3492 175.0613 43 T 4.8658 8.9076 114.6984 61.4061 70.9440 173.2717 44 T 5.1363 7.6965 118.8757 62.6112 73.3139 172.4554 45 I 4.7420 8.7795 126.8766 59.4664 40.6135 174.4081 46 I 4.7707 8.3278 128.0903 59.5370 39.2302 174.7609 47 W 4.5730 9.4156 128.6446 55.2269 30.7105 175.3507 48 N 5.1426 8.9395 125.9488 52.7065 38.8597 175.4557 49 F 4.5994 9.4657 125.9711 58.7385 40.0556 178.7982 50 E 3.8424 7.9628 121.9578 57.7033 29.7726 177.9245 51 R 4.4123 8.0157 115.1562 56.0462 31.5492 175.8755 52 L 4.5802 7.9757 122.9650 55.0126 42.1583 176.5834 53 S 4.6810 8.8291 120.3931 59.0047 64.9485 174.2326 54 F 4.7583 7.5062 119.4979 57.9044 42.1697 172.6381 55 M 4.9164 8.2934 122.6100 53.0480 34.2474 174.8207 56 D 4.3371 7.5389 120.9685 51.9033 41.3254 177.2004 57 S 4.0679 8.5696 113.7310 61.7925 62.3159 176.4688 58 S 4.3189 8.2062 115.9145 60.6101 62.5471 176.6490 59 G 3.5175 8.1160 110.1784 47.5783 0.0000 175.9976 60 V 3.6890 7.7272 120.7628 65.8965 31.5654 178.4803 61 G 3.6061 7.9583 104.9908 47.2105 0.0000 175.1962 62 L 3.9195 7.9170 122.8651 58.2142 42.2094 179.4044 63 V 3.0054 7.7200 117.9965 65.9077 31.4537 178.0762 64 L 4.2414 8.1190 118.7812 57.3186 41.3175 179.8129 65 G 3.5633 8.5794 106.4408 48.0695 0.0000 176.0302 66 R 4.2293 7.9124 121.2794 58.9139 29.9699 179.2195 67 M 4.1204 7.9529 118.1134 58.6668 31.8286 179.0170 68 R 3.9587 7.7815 116.5522 59.1916 29.9758 178.7946 69 E 4.1773 8.3902 118.7038 59.3605 29.4496 179.3143 70 L 3.8663 8.5230 119.4578 57.5967 41.7938 178.7531 71 E 3.9060 8.9554 119.6032 59.7410 29.2483 179.0617 72 A 4.1708 7.5594 118.5841 54.1378 18.4056 178.9661 73 V 4.1900 7.4849 108.4018 60.0805 32.2316 175.3114 74 A 3.7475 7.7160 119.5693 53.1148 16.5504 178.5872 75 G 4.1174 7.9803 107.2850 47.4850 0.0000 173.9315 76 R 5.0073 8.8954 116.8597 54.9667 35.0012 174.7949 77 T 5.3210 8.6731 117.3513 61.8657 72.4168 172.7549 78 I 4.9972 9.1072 125.3615 59.3044 41.5110 173.8309 79 L 5.1340 9.9036 130.4715 53.3693 43.5892 175.2150 80 L 4.9010 9.2868 127.8802 53.6867 43.8688 175.9869 81 N 4.7568 8.3821 126.3188 53.5235 36.0579 173.4052 82 P 4.3144 0.0000 0.0000 62.8266 32.7097 177.6523 83 S 4.5173 8.2955 119.3582 57.9725 63.7794 172.6784 84 P 4.2380 0.0000 0.0000 65.9585 31.3688 177.8960 85 T 3.7197 7.8352 109.8426 64.5633 68.3644 175.2786 86 M 3.7534 7.9582 121.5133 58.0304 32.0461 178.8475 87 R 3.8839 7.7755 117.7842 59.2089 30.1384 178.7896 88 K 3.4036 8.3595 118.7119 59.3266 31.8239 179.3208 89 V 3.5683 9.6536 116.7966 65.7172 31.2486 177.4702 90 F 4.1786 7.5845 116.1902 60.2229 39.4077 177.0202 91 Q 3.8583 8.3007 117.4943 57.9596 29.9504 177.5965 92 F 4.6374 7.3060 118.5508 54.9266 36.9837 175.1902 *96 G 3.6375 7.6860 114.2238 45.4368 0.0000 168.8343 97 P 4.6925 0.0000 0.0000 61.5911 33.8328 174.3977 98 W 4.5072 8.4992 119.3284 55.8169 30.6826 175.5864 99 M 5.8372 8.9915 124.5708 53.0110 33.2838 175.3798 100 M 4.7415 8.5027 120.4823 53.6453 34.7391 173.9767 101 D 5.0027 9.0353 123.7526 54.8286 40.7780 175.0625 102 A 4.5529 8.4644 126.0303 50.4553 22.5235 175.8628 103 T 4.4497 8.2318 109.5454 60.7666 71.6279 175.8720 104 E 3.9819 8.4757 119.9241 59.4149 29.4292 179.0260 105 E 3.8754 8.1531 118.7985 59.4462 29.7272 178.1337 106 E 3.9345 8.6746 118.5062 59.6867 29.6856 179.0634 107 A 4.0099 8.8646 121.4212 55.6038 18.3499 179.8711 108 I 3.6640 8.3442 118.2164 64.4630 37.0931 178.0205 109 D 4.3915 8.6561 120.2423 57.8651 40.5063 179.4888 110 R 3.8745 7.8131 116.6157 59.3195 30.0929 179.0556 111 V 3.5915 7.4080 119.1670 66.2099 31.6085 176.6617 *112 R 4.2834 7.9150 118.5083 55.5505 31.0989 178.8242 113 G 3.7899 7.5922 108.7027 45.3407 0.0000 174.9381 114 I 3.4932 8.3045 120.1313 60.9100 37.5723 173.6368 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 8.11 4.62 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 5.61 0.00 3.20 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 4 Q 9.45 4.64 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 5 L 8.39 5.27 0.00 1.51 1.52 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 E 9.13 4.34 0.00 2.00 1.76 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 2.18 2.23 0.00 7 M 8.44 3.91 0.00 1.97 1.99 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 2.57 2.65 0.00 8 V 8.45 4.39 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 0.82 0.00 0.00 0.89 0.00 0.00 9 T 7.98 3.97 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 1.18 0.00 0.00 10 R 7.98 3.61 0.00 1.78 1.87 0.00 3.34 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 11 E 8.76 4.30 0.00 2.22 2.02 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 2.27 2.25 0.00 12 T 10.19 5.15 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 1.21 0.00 0.00 13 V 8.74 4.58 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 0.62 0.00 0.00 0.82 0.00 0.00 14 V 7.90 4.50 2.02 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 0.93 0.00 0.00 0.88 0.00 0.00 15 I 8.12 4.37 1.24 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.08 0.76 0.00 0.00 16 R 8.75 4.52 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 17 L 8.51 5.21 0.00 1.56 1.67 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 F 9.04 4.74 0.00 3.11 2.88 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 19 G 8.84 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 0.00 0.00 0.00 20 E 8.88 5.24 0.00 1.95 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 2.16 2.29 0.00 21 L 9.11 4.77 0.00 1.89 1.65 1.05 1.36 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 22 D 8.74 4.98 0.00 2.97 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 23 H 9.16 4.09 0.00 3.33 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.43 4.48 0.00 3.36 3.56 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.35 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.45 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 1.04 0.00 0.00 0.90 0.00 0.00 27 E 7.73 3.90 0.00 2.24 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 0.00 2.32 2.28 0.00 28 Q 7.69 4.02 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 29 I 7.70 3.38 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.35 0.86 0.00 0.00 30 R 8.36 3.94 0.00 1.98 2.03 0.00 3.08 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 31 A 7.85 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.98 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 33 I 7.68 3.69 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.65 0.86 0.00 0.00 34 S 7.74 4.38 0.00 4.11 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 35 T 7.87 3.95 4.47 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 0.00 0.00 0.00 1.34 0.00 0.00 36 A 7.99 4.10 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 37 I 8.22 3.92 2.06 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 1.56 1.08 0.97 0.00 0.00 38 F 8.25 4.21 0.00 2.98 3.36 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 0.00 0.00 0.00 0.00 39 Q 8.50 3.95 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.82 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 40 G 7.92 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 0.00 0.00 0.00 41 A 8.14 4.17 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 42 V 7.56 4.80 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 1.04 0.00 0.00 0.89 0.00 0.00 43 T 8.91 4.87 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 44 T 7.70 5.14 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 1.20 0.00 0.00 45 I 8.78 4.74 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 -0.09 0.00 0.00 46 I 8.33 4.77 1.80 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 1.23 0.70 0.92 0.00 0.00 47 W 9.42 4.57 0.00 3.25 2.56 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 0.00 0.00 0.00 0.00 48 N 8.94 5.14 0.00 2.78 2.73 0.00 0.00 6.76 7.90 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 49 F 9.47 4.60 0.00 3.32 3.09 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 0.00 0.00 0.00 50 E 7.96 3.84 0.00 1.98 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 0.00 2.40 2.41 0.00 51 R 8.02 4.41 0.00 2.08 1.75 0.00 3.40 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 52 L 7.98 4.58 0.00 1.79 1.94 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.83 4.68 0.00 3.88 3.93 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 54 F 7.51 4.76 0.00 3.17 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 55 M 8.29 4.92 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 56 D 7.54 4.34 0.00 2.97 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 57 S 8.57 4.07 0.00 4.02 4.13 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 0.00 0.00 0.00 0.00 58 S 8.21 4.32 0.00 4.04 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 59 G 8.12 3.52 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 0.00 0.00 0.00 60 V 7.73 3.69 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 0.77 0.00 0.00 0.75 0.00 0.00 61 G 7.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.92 0.00 1.86 1.78 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 3.01 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 0.25 0.00 0.00 -0.05 0.00 0.00 64 L 8.12 4.24 0.00 1.78 1.76 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.58 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.91 4.23 0.00 2.30 2.25 0.00 3.63 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 67 M 7.95 4.12 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.66 0.00 68 R 7.78 3.96 0.00 1.99 2.03 0.00 3.35 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 69 E 8.39 4.18 0.00 2.16 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 2.37 2.52 0.00 70 L 8.52 3.87 0.00 1.82 1.65 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.96 3.91 0.00 2.15 2.01 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 2.35 2.40 0.00 72 A 7.56 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 73 V 7.48 4.19 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 1.06 0.00 0.00 74 A 7.72 3.75 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.98 4.12 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 0.00 76 R 8.90 5.01 0.00 1.75 1.84 0.00 3.06 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 77 T 8.67 5.32 4.36 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 0.00 0.00 0.00 1.45 0.00 0.00 78 I 9.11 5.00 1.97 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 1.65 1.59 0.98 0.00 0.00 79 L 9.90 5.13 0.00 1.44 1.57 0.01 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.29 4.90 0.00 1.84 1.85 1.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.38 4.76 0.00 3.31 3.05 0.00 0.00 7.07 7.90 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 82 P 0.00 4.31 0.00 2.07 1.79 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 83 S 8.30 4.52 0.00 4.02 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 84 P 0.00 4.24 0.00 2.32 2.27 0.00 3.43 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 2.04 2.11 0.00 85 T 7.84 3.72 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 1.18 0.00 0.00 86 M 7.96 3.75 0.00 1.75 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 87 R 7.78 3.88 0.00 1.90 1.83 0.00 3.03 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 88 K 8.36 3.40 0.00 1.86 1.41 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 1.22 7.81 89 V 9.65 3.57 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 0.28 0.00 0.00 0.83 0.00 0.00 90 F 7.58 4.18 0.00 3.12 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 91 Q 8.30 3.86 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.22 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 92 F 7.31 4.64 0.00 2.98 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 *96 G 7.69 3.64 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 0.00 0.00 0.00 97 P 0.00 4.69 0.00 2.01 2.08 0.00 3.42 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 1.64 1.92 0.00 98 W 8.50 4.51 0.00 3.50 3.26 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 99 M 8.99 5.84 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 100 M 8.50 4.74 0.00 2.15 2.19 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 2.61 2.66 0.00 101 D 9.04 5.00 0.00 2.60 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 0.00 102 A 8.46 4.55 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 0.00 103 T 8.23 4.45 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 1.30 0.00 0.00 104 E 8.48 3.98 0.00 2.04 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 2.42 2.38 0.00 105 E 8.15 3.88 0.00 2.03 1.95 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 2.37 2.40 0.00 106 E 8.67 3.93 0.00 2.27 2.01 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 2.34 2.36 0.00 107 A 8.86 4.01 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 0.00 108 I 8.34 3.66 1.96 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 1.50 0.67 0.89 0.00 0.00 109 D 8.66 4.39 0.00 2.81 2.73 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 0.00 0.00 0.00 110 R 7.81 3.87 0.00 2.05 1.93 0.00 3.15 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 111 V 7.41 3.59 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 0.75 0.00 0.00 0.95 0.00 0.00 *112 R 7.91 4.28 0.00 1.65 1.70 0.00 3.24 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.99 0.00 113 G 7.59 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 0.00 114 I 8.30 3.49 1.82 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 1.17 0.36 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.