NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.3394 8.3349 116.7994 58.5730 64.9548 174.2060 22 S 4.1405 8.2301 114.4473 57.4411 63.2674 171.6670 23 P 4.3512 0.0000 0.0000 62.9710 30.0728 176.5713 24 S 4.5327 9.0346 125.6462 56.8507 61.1803 174.4027 25 E 4.1908 7.8627 118.1039 57.1699 26.2262 177.8556 26 G 4.0504 8.2122 105.2167 45.5245 0.0000 173.0126 27 L 5.0405 7.4713 117.8836 53.1205 45.7643 174.5715 28 C 5.4322 8.5513 117.3368 54.1271 42.0711 172.3651 29 P 2.9700 0.0000 0.0000 61.2232 31.9292 173.8147 30 P 3.9614 0.0000 0.0000 64.8839 31.7904 176.5914 31 G 4.4656 10.1652 110.6462 43.5442 0.0000 172.1488 32 H 5.0851 7.5794 114.8589 54.4107 32.7967 172.0098 33 H 5.4908 8.8986 114.9931 53.2066 31.5997 173.3139 34 I 3.9772 8.1274 122.8599 61.7092 38.8442 174.9444 35 S 4.5069 7.8039 119.9204 56.7767 64.9436 173.8512 36 E 3.9908 8.9376 118.8563 59.8761 29.4415 178.6017 37 D 4.3408 7.9417 117.8291 55.7898 39.6542 177.4392 38 G 4.0019 8.3720 105.8965 45.0490 0.0000 173.6260 39 R 4.3920 8.7059 118.8784 56.2647 29.9097 174.9911 40 D 4.8631 7.5293 115.2751 53.6468 46.0477 175.0729 41 C 4.9645 8.5693 116.7708 55.1351 40.7187 173.8636 42 I 4.1510 8.0193 124.7449 60.9620 38.0496 176.3954 43 S 4.6813 8.3979 120.6862 57.6117 64.9465 173.7560 44 C 4.8319 8.2621 118.0104 54.8233 37.4722 174.2900 45 K 4.0540 8.7935 124.9907 56.4101 32.3527 175.2733 46 Y 4.2353 8.5370 127.9590 58.8482 39.3134 175.1411 47 G 3.7830 8.5080 117.6615 45.7005 0.0000 173.9040 48 Q 4.4900 7.4300 118.8801 56.2155 28.9535 180.7911 49 D 5.4094 8.3320 116.6379 51.8353 43.7627 173.0652 50 Y 4.9146 8.3596 115.7863 56.6719 42.0181 173.7059 51 S 4.9514 8.5934 112.9981 57.3013 66.3253 174.6380 52 T 4.4363 8.4282 117.6346 61.4692 67.8316 172.5341 53 H 4.9373 7.9411 113.4493 53.6025 32.8918 173.6232 54 W 4.8062 9.4321 120.7254 57.0467 29.3029 175.2598 55 N 5.2243 8.8109 120.4366 51.0658 40.7937 173.8035 56 D 5.2427 8.4442 117.9952 53.1119 40.3557 176.2603 57 L 4.1638 8.1405 119.6969 55.8407 42.1634 178.2798 58 L 4.1559 8.4458 122.9690 56.2595 42.1470 177.0877 59 F 4.6143 7.5592 115.8097 55.4369 42.5455 175.1159 60 C 4.6701 8.6077 121.6154 56.5890 41.1146 172.8843 61 L 4.2520 8.4213 121.0681 54.0028 42.2914 177.5252 62 R 4.3794 8.3428 122.2549 56.6270 30.9422 176.7532 63 C 5.0904 8.4908 118.5921 56.3522 42.0348 173.7991 64 T 4.5276 8.5285 119.3745 63.5399 69.4498 176.3278 65 R 4.5426 7.8028 121.4645 53.6620 30.3004 175.1580 66 C 3.9876 8.1708 118.5361 55.8588 36.0598 174.7965 67 D 4.5696 9.5543 125.0876 54.0602 41.4380 176.9567 68 S 4.6882 8.5546 113.9923 59.1784 62.9673 174.4110 69 G 4.4208 7.9964 105.1164 45.5643 0.0000 172.1023 70 E 5.3864 8.0847 118.7229 54.3550 33.5269 175.5787 71 V 4.5121 8.4597 113.2177 59.4860 36.2508 174.8215 72 E 4.4545 8.6130 124.6810 55.9498 29.9530 176.8656 73 L 4.2128 9.3043 128.6559 57.2864 42.8656 178.1294 74 S 4.7103 7.7501 114.4468 56.0767 67.2266 172.7387 75 P 5.3433 0.0000 0.0000 62.3774 33.1590 175.0292 76 C 4.8332 8.4595 120.1633 55.6017 42.9357 172.9001 77 T 4.3818 8.1378 116.4811 59.8291 71.0900 174.7778 78 T 4.3302 8.4715 108.4138 62.4129 68.3629 176.0968 79 T 5.3768 8.2632 107.3137 62.7883 71.5833 173.4440 80 R 4.1179 7.6087 122.2693 54.7048 33.1828 173.8489 81 N 4.0458 7.6282 123.8126 53.5194 39.8712 173.7002 82 T 4.3670 8.1836 117.2419 61.5130 69.0284 173.3505 83 V 4.3627 8.9358 123.0086 61.5121 34.2451 173.6331 84 C 5.3988 8.8330 125.0683 55.9313 43.8789 173.0455 85 Q 4.6775 8.5653 120.8353 54.6626 32.5077 173.1524 86 C 4.5877 8.8715 122.9368 57.6658 35.3251 173.5712 87 E 4.2438 8.6716 121.9958 55.6788 30.9800 176.1413 88 E 4.1138 8.4743 120.8093 57.9902 29.4785 177.0238 89 G 4.0707 8.7474 112.2480 45.4212 0.0000 173.3983 90 T 5.1258 7.7680 109.1649 59.8422 72.0675 173.2101 91 F 5.5231 8.6358 117.8817 54.3810 41.8979 173.7063 92 R 4.8946 8.4965 117.8081 54.8433 33.9395 173.5592 93 E 5.2428 8.6413 121.7381 54.3958 33.1154 175.3685 94 E 3.9040 9.0669 118.5557 59.3595 29.3381 177.4585 95 D 4.9810 8.6448 116.2269 53.7184 41.5485 177.6496 96 S 4.6809 7.8373 112.3948 56.6342 63.0617 173.1445 97 P 4.4599 0.0000 0.0000 65.3110 32.0472 177.5210 98 E 4.1718 8.0110 117.9540 58.5441 29.8964 176.0078 99 M 4.6221 7.4281 115.8527 54.0305 35.2092 174.8024 100 C 4.6224 8.4052 121.2803 55.8716 38.5738 173.6487 101 R 4.0335 7.8800 124.2480 55.3344 30.9635 176.7136 102 K 4.3283 8.4264 123.0366 56.8210 32.4077 176.4045 *116 D 4.3187 8.5806 124.1907 53.9236 41.9511 174.6981 117 C 4.4911 8.2731 121.4361 59.7371 32.6917 171.9788 118 T 4.5366 8.2317 111.4917 59.6863 71.5855 172.6538 119 P 4.3135 0.0000 0.0000 63.8663 31.3289 177.2273 120 W 5.5390 7.8256 117.3133 55.0166 30.7982 174.6021 121 S 4.3814 8.1133 111.1214 57.4332 64.9264 173.5127 122 D 4.3120 7.5292 125.2351 51.8272 42.7733 176.3293 123 I 3.8248 7.9049 113.5564 61.1066 37.4880 175.8562 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 21 S 8.33 4.34 0.00 3.86 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 22 S 8.23 4.14 0.00 3.95 3.82 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 0.00 0.00 0.00 23 P 0.00 4.35 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 24 S 9.03 4.53 0.00 4.29 3.83 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 25 E 7.86 4.19 0.00 2.03 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 2.20 2.16 0.00 26 G 8.21 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 27 L 7.47 5.04 0.00 2.10 1.90 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.55 5.43 0.00 2.88 2.82 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 0.00 0.00 0.00 29 P 0.00 2.97 0.00 1.55 1.16 0.00 3.49 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 30 P 0.00 3.96 0.00 1.94 1.89 0.00 3.03 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 31 G 10.17 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 0.00 0.00 0.00 0.00 32 H 7.58 5.09 0.00 2.96 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.90 5.49 0.00 3.31 3.32 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.13 3.98 1.89 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 1.29 0.83 0.93 0.00 0.00 35 S 7.80 4.51 0.00 3.91 3.85 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 36 E 8.94 3.99 0.00 1.95 2.00 0.00 0.00 0.00 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 2.22 0.00 37 D 7.94 4.34 0.00 2.78 2.79 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 38 G 8.37 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 39 R 8.71 4.39 0.00 1.72 2.08 0.00 3.22 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 40 D 7.53 4.86 0.00 2.56 2.46 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 41 C 8.57 4.96 0.00 2.74 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 42 I 8.02 4.15 1.49 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 0.47 0.85 0.00 0.00 43 S 8.40 4.68 0.00 3.60 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 44 C 8.26 4.83 0.00 2.91 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 45 K 8.79 4.05 0.00 1.86 1.72 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.53 7.81 46 Y 8.54 4.24 0.00 2.99 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 47 G 8.51 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 48 Q 7.43 4.49 0.00 1.75 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.29 1.91 0.00 49 D 8.33 5.41 0.00 2.69 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 50 Y 8.36 4.91 0.00 2.90 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 51 S 8.59 4.95 0.00 3.90 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 52 T 8.43 4.44 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 1.26 0.00 0.00 53 H 7.94 4.94 0.00 3.12 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 9.43 4.81 0.00 3.25 3.33 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 55 N 8.81 5.22 0.00 2.83 3.03 0.00 0.00 5.85 8.07 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 56 D 8.44 5.24 0.00 2.68 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 57 L 8.14 4.16 0.00 1.84 1.87 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.45 4.16 0.00 1.52 1.07 0.92 0.70 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 59 F 7.56 4.61 0.00 2.88 2.77 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 60 C 8.61 4.67 0.00 3.00 3.13 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 61 L 8.42 4.25 0.00 0.49 1.09 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.34 4.38 0.00 1.60 1.81 0.00 3.32 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 63 C 8.49 5.09 0.00 2.90 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 64 T 8.53 4.53 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 1.22 0.00 0.00 65 R 7.80 4.54 0.00 1.77 1.67 0.00 3.30 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 66 C 8.17 3.99 0.00 2.95 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 D 9.55 4.57 0.00 2.64 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 68 S 8.55 4.69 0.00 3.96 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 69 G 8.00 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 0.00 0.00 0.00 0.00 70 E 8.08 5.39 0.00 1.86 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 2.20 2.22 0.00 71 V 8.46 4.51 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 0.79 0.00 0.00 0.96 0.00 0.00 72 E 8.61 4.45 0.00 2.04 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 2.34 2.33 0.00 73 L 9.30 4.21 0.00 1.71 1.72 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.75 4.71 0.00 3.69 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 75 P 0.00 5.34 0.00 2.10 2.35 0.00 3.85 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 2.10 1.84 0.00 76 C 8.46 4.83 0.00 2.94 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 77 T 8.14 4.38 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 1.22 0.00 0.00 78 T 8.47 4.33 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 1.38 0.00 0.00 79 T 8.26 5.38 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 1.27 0.00 0.00 80 R 7.61 4.12 0.00 1.80 1.62 0.00 3.04 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 81 N 7.63 4.05 0.00 2.35 2.53 0.00 0.00 7.13 7.70 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 82 T 8.18 4.37 4.20 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 1.25 0.00 0.00 83 V 8.94 4.36 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 0.95 0.00 0.00 0.90 0.00 0.00 84 C 8.83 5.40 0.00 2.96 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 Q 8.57 4.68 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 86 C 8.87 4.59 0.00 2.80 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 87 E 8.67 4.24 0.00 1.92 1.86 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 2.30 2.26 0.00 88 E 8.47 4.11 0.00 1.92 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 2.26 2.21 0.00 89 G 8.75 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 0.00 0.00 0.00 0.00 90 T 7.77 5.13 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 91 F 8.64 5.52 0.00 3.12 3.39 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 92 R 8.50 4.89 0.00 1.84 1.80 0.00 3.20 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 93 E 8.64 5.24 0.00 2.19 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 0.00 2.47 2.33 0.00 94 E 9.07 3.90 0.00 1.97 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 0.00 2.32 2.38 0.00 95 D 8.64 4.98 0.00 2.85 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 96 S 7.84 4.68 0.00 3.89 3.85 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 97 P 0.00 4.46 0.00 2.22 2.24 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 98 E 8.01 4.17 0.00 1.97 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 0.00 2.30 2.23 0.00 99 M 7.43 4.62 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 100 C 8.41 4.62 0.00 2.82 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 0.00 101 R 7.88 4.03 0.00 0.67 1.49 0.00 2.99 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 102 K 8.43 4.33 0.00 1.65 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *116 D 8.58 4.32 0.00 2.69 2.64 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 0.00 117 C 8.27 4.49 0.00 2.87 2.82 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 0.00 0.00 0.00 118 T 8.23 4.54 4.49 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 1.36 0.00 0.00 119 P 0.00 4.31 0.00 1.51 1.83 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.89 0.00 120 W 7.83 5.54 0.00 3.31 3.20 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 0.00 121 S 8.11 4.38 0.00 3.88 3.82 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 0.00 0.00 0.00 122 D 7.53 4.31 0.00 1.58 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 0.00 0.00 0.00 0.00 123 I 7.90 3.82 1.83 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 1.22 0.65 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.