NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 G 3.8129 8.3549 108.0140 46.0357 0.0000 172.9963 16 L 4.8171 8.4506 125.3916 52.7935 44.4516 174.8632 17 F 4.9381 9.5647 120.7506 55.1584 42.9314 175.9475 18 L 3.9377 8.9268 121.5826 58.7378 41.7880 179.3021 19 E 4.1016 8.2549 116.0459 59.2285 29.4960 177.4796 20 D 4.6422 8.2867 116.7232 55.0812 41.3144 176.2043 21 L 4.8668 7.5830 119.4380 53.3453 43.4633 175.8836 22 A 4.6368 8.5109 123.6537 50.2374 22.4010 176.1355 23 V 3.8099 8.3908 121.5399 64.9610 31.8163 175.9104 24 G 4.0269 9.2792 115.4489 45.2577 0.0000 173.7414 25 D 4.2476 8.0960 120.2824 54.8743 41.6738 175.7503 26 R 4.9384 8.1048 122.8378 54.4012 33.0261 174.5939 27 F 5.0378 9.4108 123.4010 55.7739 43.0224 173.4682 28 D 5.6117 8.9068 122.1350 52.6330 43.1595 176.2665 29 S 4.7114 8.8046 118.2010 57.0578 65.1442 173.3476 30 A 4.4170 8.5492 123.0993 51.6477 19.2464 177.2357 31 R 4.7810 8.3442 117.7445 56.0889 32.0807 176.2165 32 H 4.7843 9.0663 120.6169 54.8565 33.4861 171.8916 33 R 4.7856 8.4016 126.4331 55.2341 31.3577 175.3219 34 V 4.1047 8.7857 127.4863 62.0482 32.8207 174.4995 35 E 4.9213 8.6412 126.8759 54.5560 32.1657 176.8521 36 A 3.9440 8.8482 124.0928 55.6396 18.3682 180.1566 37 A 3.9642 8.0252 118.2908 55.2606 18.4832 179.5997 38 A 4.0378 7.8906 118.8725 55.1917 18.5560 179.6518 39 I 3.7772 8.0584 118.5851 64.6892 37.1873 178.8581 40 K 4.1847 8.1209 118.8202 59.2751 31.7902 179.3346 41 A 3.9680 8.0380 121.1977 55.1313 18.2661 179.5339 42 F 3.9769 8.3106 118.9892 61.1687 39.4674 177.2926 43 A 4.2578 8.2824 120.7096 55.2709 18.0009 179.7769 44 G 3.5456 8.3530 103.3351 47.8035 0.0000 175.0219 45 E 3.7631 7.4306 120.1727 57.8442 29.8110 177.0753 46 F 4.8524 8.0450 113.7121 56.8358 41.6673 174.6606 47 D 4.8031 7.9159 119.3619 52.3451 41.5584 174.6774 48 P 4.6253 0.0000 0.0000 62.3816 30.2440 176.6241 49 Q 4.4692 7.2766 119.6587 53.7074 32.2377 175.2389 50 P 4.0865 0.0000 0.0000 65.8315 31.4989 178.3266 51 F 4.4857 6.9414 110.5158 58.4541 37.9915 175.6019 52 H 4.9635 7.8095 117.4339 55.6970 29.6589 174.4608 53 L 4.6288 7.6062 117.9361 54.6259 44.1438 176.1772 54 D 4.6753 8.2267 118.0039 51.3107 43.9332 175.2998 55 E 3.9338 9.0509 127.1237 59.4662 29.3147 178.4413 56 E 3.9452 8.1499 118.6078 59.2817 29.6092 178.5011 57 A 4.0511 8.0364 119.2805 54.9868 18.7597 179.1729 58 A 4.2701 8.3813 119.8053 55.3224 18.1866 180.0426 59 R 4.1037 8.1549 118.5045 60.3823 30.2841 179.1784 *60 H 4.4832 7.8685 116.3117 57.6301 28.6253 177.4089 61 S 4.8286 7.6760 114.6279 57.4051 64.6057 174.8111 62 L 3.9423 8.0939 121.2318 57.6376 41.7344 177.9227 63 F 4.0529 8.1302 117.7121 58.5011 38.9809 177.2493 64 G 3.8907 7.9920 106.6619 44.4631 0.0000 173.2671 65 G 4.2251 7.0344 110.3774 43.8497 0.0000 172.2522 66 L 4.0766 8.3392 121.8790 55.9114 42.2052 176.2815 67 A 4.9157 8.0160 125.5081 50.0687 22.4219 175.5579 68 A 4.2365 8.8402 121.9826 51.0981 19.8431 177.8692 69 S 3.7084 8.3931 114.3685 57.6768 63.4207 175.6502 70 G 2.3821 8.1312 113.4830 47.3355 0.0000 175.8605 71 W 4.3936 7.6156 120.2682 59.4193 28.9571 178.2560 72 H 2.8259 7.7571 118.1844 59.0363 29.2689 177.1962 73 T 3.7022 7.7949 117.3564 66.5397 68.0015 176.5139 74 A 4.1985 7.8801 121.6762 55.0797 18.4960 179.2617 75 A 4.1493 7.8510 118.5430 55.2921 18.7548 179.6536 76 I 3.8086 8.0126 118.7123 64.6001 37.0807 179.6900 77 T 3.7655 7.8883 114.4095 63.9966 68.1334 176.1735 *79 R 4.2196 7.9610 122.9162 56.4226 31.9595 177.4648 80 L 3.9965 7.8675 117.6412 57.6634 41.4388 179.6684 81 L 3.9381 8.1213 119.1138 57.8074 41.4168 179.6500 82 V 3.5701 7.6857 116.6776 65.9687 31.6425 177.4419 83 T 4.2571 8.1054 108.5386 63.6602 69.0862 174.7692 84 S 4.7344 7.7169 112.6640 59.4519 69.3781 175.9034 85 G 3.7297 8.6569 109.8720 47.5435 0.0000 173.4418 86 L 4.1882 7.5243 121.0338 52.4650 43.0111 174.4802 87 P 4.4361 0.0000 0.0000 61.5292 30.1834 176.9441 88 L 4.3629 7.2273 119.6900 54.2318 43.0399 178.2591 89 A 3.7157 8.1531 127.6408 55.2255 18.2265 178.1618 90 Q 4.2177 7.7166 111.3753 55.6875 28.8637 175.9968 91 G 3.7768 7.8354 105.1993 44.6139 0.0000 172.7976 92 I 4.4095 7.9049 118.6848 59.5822 39.2632 175.8763 93 I 4.4736 8.4521 128.3463 59.4532 39.9679 174.9889 94 G 4.5006 8.8531 113.7075 44.5123 0.0000 172.3079 95 A 4.5195 8.4822 124.1064 52.2459 20.3808 177.5181 96 G 4.0076 7.4330 103.7125 46.4338 0.0000 171.4636 97 T 4.7670 8.0952 112.0108 60.7765 70.1561 171.9677 98 E 4.5253 8.6726 124.8731 54.7834 31.2970 174.5340 99 L 4.8365 8.2138 126.3672 53.3381 44.4047 175.1478 100 S 4.1512 7.8268 117.7834 56.6854 66.3641 172.7994 101 W 5.5064 8.3005 124.0888 54.0713 28.8131 173.0379 102 P 4.4255 0.0000 0.0000 64.8019 31.1917 176.6126 103 N 5.2020 7.8375 113.5664 50.6266 43.0581 172.8123 104 P 4.5592 0.0000 0.0000 63.0041 32.7882 175.9276 105 T 4.3876 8.4505 119.4434 62.8269 69.9443 174.4419 106 R 4.8309 8.9651 125.7788 53.2290 32.6501 174.0566 107 P 4.5061 0.0000 0.0000 64.3255 31.7642 176.9068 108 G 3.9371 9.3464 109.8783 45.2521 0.0000 173.0714 109 D 4.7639 7.8356 120.1852 54.0354 42.4756 175.2863 110 E 4.9280 9.7430 123.3276 55.0222 31.2684 174.8322 111 L 5.3212 9.0668 125.9307 53.4032 44.2875 175.6168 112 H 5.2611 8.8703 117.1719 54.1884 32.8242 172.0345 113 V 4.7775 8.8785 119.2078 61.1573 34.5093 173.9786 114 E 5.0677 9.1422 127.3125 55.1270 31.8929 174.8713 115 T 5.1416 9.1811 122.3372 62.0207 71.4998 173.7235 116 T 5.0782 8.7358 122.2261 61.5683 72.6143 173.3314 117 V 4.1908 8.7213 126.6655 63.0229 31.9206 176.1806 118 L 4.8434 9.0042 127.9137 55.6837 43.3049 176.4382 119 A 4.5753 7.5115 117.8092 51.1289 22.6659 175.5582 120 I 4.7247 8.2848 119.6176 60.2566 40.8707 175.4847 121 T 4.4729 9.0482 125.6153 60.7598 70.0599 172.0694 122 P 4.7515 0.0000 0.0000 62.2391 32.3887 176.6021 123 S 4.3371 8.5077 119.7935 58.3496 63.3399 175.1439 124 K 4.1939 8.6192 124.2016 58.1296 32.3419 178.0087 125 S 4.5542 7.9474 111.9313 59.1805 64.3327 174.6427 126 R 4.6016 7.4098 119.3384 53.0705 30.1939 173.7261 127 P 4.4445 0.0000 0.0000 64.1409 32.2600 177.2821 128 D 4.5168 8.0647 118.6803 56.5937 41.6143 175.1397 129 R 5.0545 8.3951 114.3701 54.6089 33.6378 173.7702 130 A 4.9704 8.5200 119.2352 50.4439 23.4179 175.1971 131 I 4.4244 8.7616 121.1792 60.2182 38.9036 175.1087 132 V 4.6790 8.9160 128.3169 61.4856 33.6175 174.6488 133 T 4.7322 8.8321 125.8729 63.1181 69.7387 173.5926 134 C 5.2134 9.2190 125.6336 57.9467 31.0729 172.9772 135 Q 4.7148 9.0024 126.6920 55.0637 30.2344 174.3127 136 S 5.1441 9.2726 123.6659 56.9298 65.5713 172.8386 137 D 5.2424 8.9646 125.5150 52.9342 42.9721 175.6121 138 T 4.7217 8.8216 122.0210 62.4629 69.9762 174.1908 139 L 5.3395 8.7091 126.8544 52.9524 45.7326 176.2861 140 N 5.7138 8.7064 119.5054 50.7879 39.9257 175.5325 141 Q 4.1647 8.7969 115.5993 58.3848 28.7308 176.8266 142 R 4.2435 8.3137 117.0303 55.8793 30.4372 177.1125 143 G 3.9228 8.1783 106.2315 45.7515 0.0000 173.4484 144 E 4.2529 8.0086 119.1617 54.9812 30.5243 175.9378 145 V 4.1702 8.2191 122.9099 62.7788 31.4170 176.4617 146 V 4.1074 8.4521 121.2781 61.6973 32.4453 176.3309 147 Q 4.7473 7.5650 119.8588 54.9763 32.6667 172.4881 148 R 4.8735 8.6247 125.9910 54.5072 33.4826 173.8063 149 S 4.7327 9.2121 121.2222 57.0789 65.3359 172.9354 150 T 4.8939 8.7496 125.9204 62.1946 68.9380 173.8802 151 A 5.1816 8.9041 128.6786 50.0681 22.5339 175.3381 152 K 4.9695 9.0188 119.3143 54.7930 34.6403 176.0525 153 V 4.9070 8.6718 118.2754 59.4077 35.5486 174.9044 154 V 4.4540 8.2631 124.1967 61.9251 32.4121 175.3748 155 V 4.5392 8.3397 127.6809 61.1996 34.6190 174.5155 156 F 5.1450 8.8561 125.3803 55.7877 41.6408 175.5227 157 R 4.5958 8.6890 120.0686 55.9081 30.7847 177.0151 158 R 3.0502 8.9506 122.5376 55.3975 30.4606 175.0274 159 P 4.2992 0.0000 0.0000 62.3541 32.0373 176.3231 160 L 4.1025 8.3674 120.4664 55.2111 41.4733 177.1042 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 15 G 8.35 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 16 L 8.45 4.82 0.00 1.51 1.56 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.56 4.94 0.00 2.90 3.15 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 0.00 0.00 0.00 18 L 8.93 3.94 0.00 1.91 1.78 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.25 4.10 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 2.34 2.43 0.00 20 D 8.29 4.64 0.00 2.86 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 21 L 7.58 4.87 0.00 1.82 1.65 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.51 4.64 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 23 V 8.39 3.81 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 0.85 0.00 0.00 0.93 0.00 0.00 24 G 9.28 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 0.00 0.00 0.00 25 D 8.10 4.25 0.00 2.75 2.29 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 0.00 26 R 8.10 4.94 0.00 1.65 1.60 0.00 3.13 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.70 0.00 27 F 9.41 5.04 0.00 3.13 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 28 D 8.91 5.61 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 4.71 0.00 4.02 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 30 A 8.55 4.42 1.27 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 31 R 8.34 4.78 0.00 1.72 1.88 0.00 3.18 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 H 9.07 4.78 0.00 3.21 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.40 4.79 0.00 1.97 1.74 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 34 V 8.79 4.10 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 0.84 0.00 0.00 0.90 0.00 0.00 35 E 8.64 4.92 0.00 1.93 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 2.29 2.23 0.00 36 A 8.85 3.94 1.33 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 37 A 8.03 3.96 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 38 A 7.89 4.04 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.06 3.78 2.08 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 1.53 0.72 1.01 0.00 0.00 40 K 8.12 4.18 0.00 1.98 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.54 7.81 41 A 8.04 3.97 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 42 F 8.31 3.98 0.00 2.95 2.83 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 43 A 8.28 4.26 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 44 G 8.35 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 45 E 7.43 3.76 0.00 1.54 1.51 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 1.47 1.47 0.00 46 F 8.05 4.85 0.00 2.32 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 47 D 7.92 4.80 0.00 2.84 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 48 P 0.00 4.63 0.00 2.15 2.01 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 49 Q 7.28 4.47 0.00 1.56 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 50 P 0.00 4.09 0.00 2.06 2.07 0.00 3.19 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 2.04 2.01 0.00 51 F 6.94 4.49 0.00 3.07 3.38 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 52 H 7.81 4.96 0.00 3.16 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.61 4.63 0.00 1.52 1.63 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.23 4.68 0.00 2.68 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 55 E 9.05 3.93 0.00 2.13 1.94 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 2.39 2.45 0.00 56 E 8.15 3.95 0.00 2.08 1.94 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 2.39 2.39 0.00 57 A 8.04 4.05 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 58 A 8.38 4.27 1.54 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 59 R 8.15 4.10 0.00 2.04 2.04 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.07 0.00 *60 H 7.87 4.48 0.00 3.02 2.97 0.00 7.19 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.68 4.83 0.00 4.10 4.41 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 62 L 8.09 3.94 0.00 1.39 1.30 0.79 0.42 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 63 F 8.13 4.05 0.00 3.11 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 64 G 7.99 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 65 G 7.03 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 0.00 0.00 0.00 0.00 66 L 8.34 4.08 0.00 1.99 1.62 0.93 0.84 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 67 A 8.02 4.92 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 68 A 8.84 4.24 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.39 3.71 0.00 3.80 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 70 G 8.13 2.38 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 0.00 71 W 7.62 4.39 0.00 3.65 3.42 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 72 H 7.76 2.83 0.00 2.43 3.13 0.00 5.87 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 73 T 7.79 3.70 4.39 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 1.27 0.00 0.00 74 A 7.88 4.20 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 0.00 0.00 0.00 0.00 0.00 75 A 7.85 4.15 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 76 I 8.01 3.81 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.83 0.00 0.00 77 T 7.89 3.77 4.42 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 1.21 0.00 0.00 *79 R 7.96 4.22 0.00 1.87 2.09 0.00 3.19 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 80 L 7.87 4.00 0.00 1.92 1.71 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.12 3.94 0.00 1.86 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.69 3.57 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 0.87 0.00 0.00 0.92 0.00 0.00 83 T 8.11 4.26 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 84 S 7.72 4.73 0.00 3.96 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 85 G 8.66 3.73 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 0.00 0.00 0.00 86 L 7.52 4.19 0.00 1.49 1.40 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.44 0.00 2.10 2.08 0.00 2.57 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 88 L 7.23 4.36 0.00 1.64 1.58 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.15 3.72 0.40 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 90 Q 7.72 4.22 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 91 G 7.84 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 0.00 0.00 0.00 92 I 7.90 4.41 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.90 0.00 0.00 93 I 8.45 4.47 1.92 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 1.30 0.85 0.95 0.00 0.00 94 G 8.85 4.50 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 0.00 0.00 0.00 95 A 8.48 4.52 1.29 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 0.00 0.00 0.00 96 G 7.43 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 97 T 8.10 4.77 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 1.21 0.00 0.00 98 E 8.67 4.53 0.00 2.02 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 2.15 2.15 0.00 99 L 8.21 4.84 0.00 1.36 0.98 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.83 4.15 0.00 3.68 3.38 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 0.00 101 W 8.30 5.51 0.00 3.31 2.89 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 0.00 102 P 0.00 4.43 0.00 2.19 2.11 0.00 3.78 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 2.00 2.07 0.00 103 N 7.84 5.20 0.00 2.80 2.66 0.00 0.00 6.94 7.91 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 0.00 104 P 0.00 4.56 0.00 2.07 2.31 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 105 T 8.45 4.39 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 106 R 8.97 4.83 0.00 2.00 1.82 0.00 3.32 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 107 P 0.00 4.51 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 108 G 9.35 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 0.00 109 D 7.84 4.76 0.00 2.84 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 0.00 110 E 9.74 4.93 0.00 1.84 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 2.24 2.41 0.00 111 L 9.07 5.32 0.00 1.82 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.87 5.26 0.00 3.19 3.35 0.00 5.20 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.88 4.78 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 1.10 0.00 0.00 0.92 0.00 0.00 114 E 9.14 5.07 0.00 1.92 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 0.00 2.29 2.25 0.00 115 T 9.18 5.14 4.40 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 1.30 0.00 0.00 116 T 8.74 5.08 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 1.23 0.00 0.00 117 V 8.72 4.19 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 0.83 0.00 0.00 1.09 0.00 0.00 118 L 9.00 4.84 0.00 1.50 1.68 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.51 4.58 1.19 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 0.00 120 I 8.28 4.72 1.87 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 1.36 0.71 0.91 0.00 0.00 121 T 9.05 4.47 4.22 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 1.19 0.00 0.00 122 P 0.00 4.75 0.00 1.92 1.96 0.00 3.66 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 2.01 2.10 0.00 123 S 8.51 4.34 0.00 3.96 3.77 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 0.00 0.00 0.00 124 K 8.62 4.19 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.41 7.81 125 S 7.95 4.55 0.00 3.97 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 0.00 126 R 7.41 4.60 0.00 1.82 1.87 0.00 3.19 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 127 P 0.00 4.44 0.00 2.04 2.12 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 128 D 8.06 4.52 0.00 2.77 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 0.00 129 R 8.40 5.05 0.00 1.02 0.67 0.00 2.76 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 130 A 8.52 4.97 1.16 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 0.00 0.00 131 I 8.76 4.42 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.81 0.89 0.00 0.00 132 V 8.92 4.68 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 1.10 0.00 0.00 0.92 0.00 0.00 133 T 8.83 4.73 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 1.20 0.00 0.00 134 C 9.22 5.21 0.00 2.81 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 0.00 135 Q 9.00 4.71 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 136 S 9.27 5.14 0.00 3.71 3.73 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 0.00 137 D 8.96 5.24 0.00 2.62 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 0.00 138 T 8.82 4.72 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 1.20 0.00 0.00 139 L 8.71 5.34 0.00 1.44 1.50 0.92 0.71 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 0.00 140 N 8.71 5.71 0.00 2.87 2.98 0.00 0.00 6.64 7.30 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 0.00 141 Q 8.80 4.16 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 142 R 8.31 4.24 0.00 2.02 2.01 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 143 G 8.18 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 0.00 144 E 8.01 4.25 0.00 2.13 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 2.29 0.00 145 V 8.22 4.17 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 1.01 0.00 0.00 0.91 0.00 0.00 146 V 8.45 4.11 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 0.92 0.00 0.00 0.97 0.00 0.00 147 Q 7.56 4.75 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 148 R 8.62 4.87 0.00 1.80 1.58 0.00 3.02 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 149 S 9.21 4.73 0.00 3.75 3.62 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 0.00 150 T 8.75 4.89 4.19 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 1.18 0.00 0.00 151 A 8.90 5.18 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 0.00 152 K 9.02 4.97 0.00 1.64 1.70 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81 153 V 8.67 4.91 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 0.69 0.00 0.00 0.92 0.00 0.00 154 V 8.26 4.45 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 0.48 0.00 0.00 0.93 0.00 0.00 155 V 8.34 4.54 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 0.99 0.00 0.00 0.92 0.00 0.00 156 F 8.86 5.14 0.00 3.43 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 0.00 157 R 8.69 4.60 0.00 1.76 2.03 0.00 3.37 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 158 R 8.95 3.05 0.00 1.12 1.55 0.00 3.06 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 159 P 0.00 4.30 0.00 1.98 1.91 0.00 3.19 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 2.03 2.09 0.00 160 L 8.37 4.10 0.00 1.60 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.