NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1752 8.0932 114.8162 58.0593 64.4480 174.4853 2 L 4.1191 8.4475 121.7079 55.8419 41.2792 178.7215 3 F 3.9811 8.8513 123.2278 61.2793 39.8555 176.4082 4 E 4.2059 8.3241 118.0964 59.4227 29.3079 178.7749 5 L 4.0628 8.2459 119.9391 58.4403 42.0282 178.9098 6 G 3.6926 8.5083 105.5127 47.9007 0.0000 175.5918 7 K 3.8369 7.9408 120.9455 59.3018 32.1003 179.1829 8 M 3.9979 8.8032 119.8982 58.5600 31.8509 178.5895 9 I 3.5559 8.0557 120.0639 64.6342 37.3705 178.2179 10 L 4.0314 7.9670 120.7494 58.2419 41.6068 179.0877 11 Q 3.5479 7.8034 117.4726 59.0350 28.6038 177.7646 12 E 4.3715 8.5612 119.7517 59.2566 29.7770 178.9146 13 T 4.0007 8.5156 110.1056 64.6135 68.8953 176.2630 *15 G 4.2731 7.6728 106.7055 44.4125 0.0000 172.3653 16 K 4.2884 7.8312 119.3584 54.5548 33.6495 176.5570 17 N 4.2729 8.4726 119.5368 53.3546 39.5759 173.5345 18 P 4.3857 0.0000 0.0000 66.1195 31.5523 178.4032 19 A 4.0535 8.0149 118.5608 55.0314 18.2298 179.3288 20 K 3.8977 8.3810 117.2257 59.2992 32.2814 178.2883 21 S 5.0298 7.8941 115.1328 58.4474 63.6064 174.5619 22 Y 4.9136 8.0379 116.5127 57.5229 39.2363 176.7341 23 G 3.7856 8.3570 112.4405 48.1159 0.0000 173.9851 24 A 4.9369 7.3878 122.1539 50.7950 20.1611 172.2205 25 Y 4.8304 9.9014 121.9069 56.0167 42.3716 175.5502 26 G 3.6556 8.4837 116.7249 47.0062 0.0000 173.2929 27 C 4.8007 9.8209 119.0104 57.1096 41.1441 174.0672 28 N 4.7427 8.5250 115.2779 53.9373 40.8777 174.8070 29 C 4.6906 8.4043 117.9309 54.9064 38.6815 171.9333 30 G 4.5305 7.3021 109.1928 43.1958 0.0000 171.4231 31 V 3.6726 8.5157 118.9951 64.7071 31.6523 175.6632 32 L 4.4693 7.8364 121.3748 54.1197 43.3020 176.6926 33 G 4.0569 8.8467 111.6468 45.5065 0.0000 171.6530 34 R 4.9001 8.1617 116.9662 54.4065 32.5071 176.0940 35 G 4.3453 9.7379 108.2614 44.1495 0.0000 172.5051 36 K 4.3259 8.6361 120.9098 55.9160 32.3976 175.3174 37 P 4.1933 0.0000 0.0000 62.6434 31.8230 176.2578 38 K 3.9988 8.3625 121.0447 57.6508 32.8729 176.1347 39 D 4.3766 7.3300 116.8249 51.2728 42.7535 175.8757 40 A 3.9564 8.4015 120.5278 56.0103 17.9522 179.6601 41 T 3.7920 8.0389 113.4055 67.0020 68.5047 176.1393 42 D 4.5263 8.9504 120.2507 57.2826 41.2481 178.1750 43 R 3.8743 8.3214 119.7124 59.3918 29.9574 177.8568 44 C 4.2371 8.0890 116.4628 60.4076 38.5151 175.5827 45 C 4.2954 7.8679 116.4484 59.7085 36.1338 175.6689 46 Y 3.9036 8.0995 121.4698 60.6898 38.4052 177.8123 47 V 3.7474 8.4319 119.6516 66.4583 31.4961 177.4486 48 H 3.9601 8.6270 118.0550 59.2926 29.8474 177.4519 49 K 3.7108 8.4308 120.5047 59.5229 31.5609 178.7265 50 C 4.2917 8.2844 116.5023 59.6490 40.1296 174.9450 51 C 4.3644 8.0521 120.1166 59.8132 44.7018 174.8108 52 Y 4.4313 8.1167 118.6088 60.9249 37.4692 178.3677 53 K 3.7967 7.8612 120.3562 59.1255 32.1152 178.3612 *57 K 4.4377 7.5768 113.4072 56.0874 34.2157 175.0846 58 L 4.4713 7.7018 120.3309 54.1553 42.6481 176.6228 59 T 4.3773 8.4832 112.7724 62.0397 70.6309 172.7044 60 G 3.6922 8.3976 115.1411 45.3119 0.0000 171.7916 61 C 4.8941 7.6923 113.2315 54.6687 45.3901 172.7112 *67 N 4.8792 8.4090 118.1401 52.9658 38.5987 173.3052 68 P 4.0120 0.0000 0.0000 64.3228 31.7853 177.4005 69 K 4.3092 8.7744 120.0789 57.9145 33.3043 178.5046 70 K 4.4693 8.0708 115.9505 54.1585 32.2690 177.4113 71 D 4.7419 8.1002 120.3391 53.8111 40.4748 175.9936 72 R 4.9391 8.5654 123.6731 55.1120 30.8573 175.8335 73 Y 5.0410 7.5818 119.1456 55.1820 41.3189 174.4106 74 S 5.0552 9.7627 116.9343 57.3163 64.8524 173.2867 75 Y 5.6082 8.3089 121.2704 56.2755 40.8827 173.6650 76 S 4.5936 10.2881 114.6792 56.6832 67.3417 173.1855 77 W 5.2150 8.9612 131.3240 56.4095 30.6055 175.0047 78 K 4.3333 8.9150 127.5518 55.5398 34.2786 176.4706 79 D 4.2004 9.2621 124.1637 56.7421 39.4168 172.8333 80 K 2.0000 6.9820 109.4525 57.1792 30.6004 175.5705 81 T 4.2617 6.5111 113.1787 61.3474 72.5505 174.1313 82 I 4.6478 8.5231 127.0996 61.5193 37.7251 175.5589 83 V 4.3711 9.8839 129.2056 60.9231 33.5790 174.1646 84 C 4.9758 9.1032 126.6292 56.6834 40.4925 175.0779 85 G 4.1918 9.2612 114.1221 44.7251 0.0000 172.7068 86 E 4.9175 7.8302 117.5600 55.0059 34.1928 175.3534 87 N 4.7212 8.5891 118.7815 53.7904 41.2440 173.8737 88 N 4.1376 8.0623 116.7244 53.6342 39.2560 172.8532 *90 P 4.3660 0.0000 0.0000 62.8728 33.6461 179.6533 91 C 4.2264 8.2584 116.9678 59.7604 41.8230 175.5689 92 L 3.8618 8.0471 120.0549 57.5981 41.1983 178.8604 93 K 3.9546 8.8853 120.5574 59.8278 32.0665 178.3644 94 E 3.8773 8.3385 118.3602 59.3520 29.5176 178.9363 95 L 3.9334 8.4791 121.1330 58.6371 41.9813 178.3181 96 C 3.1175 8.4340 119.0019 59.3288 43.6929 175.4041 97 E 3.7410 8.2222 120.3308 59.1081 28.9508 178.7608 98 C 4.2802 8.5104 117.2736 60.1772 35.8109 175.7297 99 D 4.3382 8.0847 120.3389 57.1552 40.4459 178.7431 100 K 3.7494 8.3151 120.1750 59.6218 32.1689 178.5605 101 A 4.0893 8.1888 121.3794 55.1511 18.1314 180.0074 102 V 3.4712 7.8247 117.4065 64.6036 31.5807 178.5395 103 A 3.7711 8.4172 121.7487 54.8593 18.1705 179.4650 104 I 3.7369 8.1128 118.5457 64.7003 37.2524 177.4447 105 C 4.8242 8.2251 120.6993 59.3172 43.1842 175.6569 106 L 3.7432 8.0188 119.1184 57.7676 41.3918 179.4277 107 R 4.0007 7.9856 118.4713 59.5992 30.2092 178.4888 108 E 4.1204 9.0459 118.7911 58.5001 29.2039 178.1073 109 N 4.8266 7.7803 115.3936 53.0695 39.1320 176.5909 110 L 4.2393 8.0402 124.6347 57.7782 41.3760 179.3324 111 G 3.7816 8.2346 107.1600 48.4092 0.0000 173.9270 112 T 4.4758 7.5748 106.6012 60.9725 69.3713 173.8980 113 Y 4.0923 8.2882 125.4661 58.0265 39.3077 174.1682 114 N 5.2533 9.3678 126.1516 51.4767 40.9041 175.1843 115 K 4.2521 8.7005 125.4883 58.3149 32.4812 179.0240 116 L 3.9087 7.8474 119.2983 58.6143 40.6630 177.7096 117 Y 4.2858 7.3489 115.0832 58.3639 37.6954 175.4925 118 R 4.2272 7.3189 119.9817 57.3224 30.6062 175.8191 119 Y 3.7116 8.3881 118.9251 58.9956 36.1512 170.2465 120 H 4.3044 8.3496 119.0854 55.8857 30.2720 174.7837 121 L 4.1128 8.6079 127.5431 54.5337 42.1959 177.1487 122 K 4.0069 8.8735 124.2991 59.1197 32.0848 176.8777 123 P 3.9755 0.0000 0.0000 65.3919 31.2577 177.7973 *125 F 5.0820 7.7440 112.6159 57.0686 40.5607 174.8153 126 C 5.0345 8.1703 121.3199 55.9675 36.0447 174.5786 127 K 4.3918 8.4990 125.9874 54.4426 33.6996 173.9212 *129 K 4.4491 8.3873 118.3826 56.6157 32.9010 176.2251 130 A 4.2318 8.7693 128.0354 51.9159 18.9954 176.4329 131 D 4.6512 8.6704 120.2675 54.6038 41.5169 175.7209 132 D 4.7987 8.2442 119.2537 53.4205 42.1245 177.7561 133 C 4.5293 8.6005 118.3622 57.4559 41.1978 173.7529 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 1 S 8.09 5.18 0.00 4.14 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 2 L 8.45 4.12 0.00 1.88 1.84 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.85 3.98 0.00 3.12 2.99 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 4 E 8.32 4.21 0.00 2.10 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 1.47 2.48 0.00 5 L 8.25 4.06 0.00 2.03 1.94 0.82 1.04 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 6 G 8.51 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 0.00 0.00 0.00 7 K 7.94 3.84 0.00 2.07 2.00 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.82 7.81 8 M 8.80 4.00 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 9 I 8.06 3.56 1.95 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 1.18 0.64 0.84 0.00 0.00 10 L 7.97 4.03 0.00 1.86 1.63 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.80 3.55 0.00 1.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 1.72 2.31 0.00 12 E 8.56 4.37 0.00 1.88 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 0.00 2.50 2.57 0.00 13 T 8.52 4.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 *15 G 7.67 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 16 K 7.83 4.29 0.00 1.77 1.59 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.34 7.81 17 N 8.47 4.27 0.00 2.72 2.68 0.00 0.00 6.98 7.71 0.00 0.00 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 P 0.00 4.39 0.00 2.20 2.14 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 19 A 8.01 4.05 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 20 K 8.38 3.90 0.00 1.83 1.97 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 21 S 7.89 5.03 0.00 3.11 2.63 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 22 Y 8.04 4.91 0.00 2.97 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 23 G 8.36 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 24 A 7.39 4.94 1.06 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 25 Y 9.90 4.83 0.00 3.09 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 26 G 8.48 3.66 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 0.00 0.00 0.00 27 C 9.82 4.80 0.00 3.03 3.23 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 28 N 8.52 4.74 0.00 3.04 2.83 0.00 0.00 6.96 7.28 0.00 0.00 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 C 8.40 4.69 0.00 3.46 3.41 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 30 G 7.30 4.53 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 0.00 31 V 8.52 3.67 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 0.85 0.00 0.00 0.99 0.00 0.00 32 L 7.84 4.47 0.00 1.61 1.55 0.94 1.06 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 33 G 8.85 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 34 R 8.16 4.90 0.00 1.56 1.72 0.00 2.58 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 35 G 9.74 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 4.33 0.00 1.71 1.77 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.53 7.81 37 P 0.00 4.19 0.00 1.87 2.00 0.00 3.44 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.14 0.00 38 K 8.36 4.00 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 0.77 7.81 39 D 7.33 4.38 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 3.96 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 41 T 8.04 3.79 4.43 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 0.77 0.00 0.00 42 D 8.95 4.53 0.00 2.97 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 43 R 8.32 3.87 0.00 1.97 1.99 0.00 3.08 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 44 C 8.09 4.24 0.00 3.13 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 45 C 7.87 4.30 0.00 3.19 3.27 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 46 Y 8.10 3.90 0.00 3.12 3.04 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 47 V 8.43 3.75 2.34 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 1.05 0.00 0.00 1.01 0.00 0.00 48 H 8.63 3.96 0.00 3.12 3.29 0.00 5.64 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 49 K 8.43 3.71 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.63 7.81 50 C 8.28 4.29 0.00 3.11 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 51 C 8.05 4.36 0.00 3.06 3.18 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 0.00 52 Y 8.12 4.43 0.00 3.19 2.87 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 0.00 0.00 0.00 53 K 7.86 3.80 0.00 2.05 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 *57 K 7.58 4.44 0.00 1.93 1.96 0.00 1.23 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 58 L 7.70 4.47 0.00 1.90 1.60 0.98 0.61 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 59 T 8.48 4.38 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 60 G 8.40 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 0.00 0.00 0.00 61 C 7.69 4.89 0.00 3.33 3.14 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 *67 N 8.41 4.88 0.00 2.82 2.98 0.00 0.00 7.68 7.71 0.00 0.00 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 P 0.00 4.01 0.00 1.28 0.49 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 69 K 8.77 4.31 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.50 7.81 70 K 8.07 4.47 0.00 1.75 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.00 7.81 71 D 8.10 4.74 0.00 2.98 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 72 R 8.57 4.94 0.00 1.69 1.81 0.00 3.08 0.00 0.00 3.78 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 73 Y 7.58 5.04 0.00 3.17 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 74 S 9.76 5.06 0.00 4.01 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 75 Y 8.31 5.61 0.00 3.07 3.22 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 76 S 10.29 4.59 0.00 3.76 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 77 W 8.96 5.21 0.00 3.55 3.14 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 78 K 8.91 4.33 0.00 1.68 1.60 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.48 7.81 79 D 9.26 4.20 0.00 2.60 2.48 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 80 K 6.98 2.00 0.00 1.65 1.69 0.00 1.93 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.40 7.81 81 T 6.51 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 1.12 0.00 0.00 82 I 8.52 4.65 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.06 0.72 0.00 0.00 83 V 9.88 4.37 2.25 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 1.02 0.00 0.00 0.97 0.00 0.00 84 C 9.10 4.98 0.00 2.98 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 85 G 9.26 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 0.00 0.00 0.00 0.00 86 E 7.83 4.92 0.00 1.92 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 2.56 2.36 0.00 87 N 8.59 4.72 0.00 2.65 2.80 0.00 0.00 6.98 7.79 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 88 N 8.06 4.14 0.00 2.78 2.74 0.00 0.00 7.21 7.71 0.00 0.00 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 P 0.00 4.37 0.00 2.24 2.11 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 91 C 8.26 4.23 0.00 3.03 3.17 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 0.00 92 L 8.05 3.86 0.00 1.77 1.81 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.89 3.95 0.00 1.80 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81 94 E 8.34 3.88 0.00 2.27 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 0.00 2.32 2.31 0.00 95 L 8.48 3.93 0.00 1.74 1.76 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 C 8.43 3.12 0.00 1.76 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 97 E 8.22 3.74 0.00 2.15 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 2.48 2.45 0.00 98 C 8.51 4.28 0.00 3.31 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 99 D 8.08 4.34 0.00 2.93 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 0.00 100 K 8.32 3.75 0.00 1.73 1.93 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 101 A 8.19 4.09 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 0.00 102 V 7.82 3.47 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 0.58 0.00 0.00 0.75 0.00 0.00 103 A 8.42 3.77 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 0.00 104 I 8.11 3.74 2.04 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 1.54 0.98 0.95 0.00 0.00 105 C 8.23 4.82 0.00 3.09 3.21 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 0.00 106 L 8.02 3.74 0.00 1.43 1.02 0.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.99 4.00 0.00 1.94 2.11 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 108 E 9.05 4.12 0.00 2.13 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 2.54 0.00 109 N 7.78 4.83 0.00 2.73 2.82 0.00 0.00 6.84 6.02 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 0.00 110 L 8.04 4.24 0.00 1.73 1.72 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.23 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 0.00 112 T 7.57 4.48 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 0.00 113 Y 8.29 4.09 0.00 3.03 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 0.00 114 N 9.37 5.25 0.00 2.72 2.51 0.00 0.00 6.80 6.05 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 0.00 115 K 8.70 4.25 0.00 1.89 1.92 0.00 1.81 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.87 1.56 7.81 116 L 7.85 3.91 0.00 1.49 1.59 -0.50 0.41 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 0.00 117 Y 7.35 4.29 0.00 1.88 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 0.00 0.00 0.00 118 R 7.32 4.23 0.00 2.01 1.69 0.00 3.41 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 119 Y 8.39 3.71 0.00 3.15 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 0.00 120 H 8.35 4.30 0.00 3.31 3.42 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.61 4.11 0.00 1.67 1.38 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.87 4.01 0.00 1.84 1.80 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 123 P 0.00 3.98 0.00 1.56 1.83 0.00 3.35 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 *125 F 7.74 5.08 0.00 3.16 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 0.00 126 C 8.17 5.03 0.00 3.12 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 0.00 127 K 8.50 4.39 0.00 1.44 1.67 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.03 7.81 *129 K 8.39 4.45 0.00 1.68 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 130 A 8.77 4.23 1.47 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 0.00 0.00 0.00 131 D 8.67 4.65 0.00 2.86 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 0.00 132 D 8.24 4.80 0.00 2.68 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 0.00 133 C 8.60 4.53 0.00 2.94 2.99 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 * Residues marked with a * may have inaccurate shift predictions.