NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 A 4.3277 8.2644 123.5496 51.5691 20.5739 176.6192 33 V 4.1901 7.3912 113.0371 59.6800 34.3205 172.6287 34 P 4.3313 0.0000 0.0000 62.5222 32.1559 175.3893 35 A 4.2800 7.9578 123.3260 51.1876 21.7066 175.3918 36 V 4.5961 7.9794 114.5841 59.7277 34.4536 175.1439 37 F 4.8657 8.8581 121.5125 55.7599 41.5134 174.5383 38 L 5.2996 8.4831 122.6723 51.8921 44.0426 175.9737 *40 K 4.1586 8.5170 123.3558 56.2099 33.1822 175.6426 41 T 4.2350 9.1265 123.9815 63.3707 69.0402 175.2369 42 I 3.6450 8.5643 124.0238 64.0434 38.1883 176.6376 43 E 4.3302 8.2221 118.3883 56.1294 29.2795 177.7487 44 G 4.0080 8.2071 109.7056 45.1143 0.0000 174.2255 45 E 4.1249 7.8477 120.6735 56.3981 31.0975 175.3679 46 D 5.1144 8.6520 125.7650 53.7935 41.8173 175.8036 47 I 4.8244 8.4547 124.1892 59.4553 40.8932 174.7063 48 S 5.7652 8.3993 117.2995 56.0039 67.3567 173.2203 49 I 4.8576 8.2270 120.7665 59.3554 40.5176 173.2950 50 P 4.8578 0.0000 0.0000 62.1990 32.8334 175.3125 51 N 4.8288 8.3946 117.0852 50.8077 39.4570 175.5297 52 K 3.6028 9.0304 123.0150 58.4840 32.7656 176.8355 53 G 4.0567 8.8030 116.4204 45.3512 0.0000 172.0176 54 Q 4.5941 7.2647 114.9167 54.8972 32.3470 173.9434 55 K 4.5319 8.5409 126.0838 56.4342 34.2093 175.5768 56 T 5.2224 8.8036 121.2794 61.9271 72.4619 172.9414 57 I 4.9545 9.2069 127.7932 60.0989 38.9208 174.3019 58 L 5.0979 8.9195 130.3680 53.6151 44.0452 174.5150 59 H 5.4388 8.7838 125.7355 54.3815 33.0531 171.8227 60 F 5.3127 9.0142 124.5989 55.5550 41.6344 174.6800 61 W 5.0196 8.3284 119.2594 55.9224 31.8134 172.9750 62 T 4.6768 8.0788 109.8259 59.5368 70.9681 174.2938 63 S 3.6865 9.0993 117.5964 60.2105 63.1314 175.4955 64 W 4.4402 7.4046 116.3786 57.5320 28.8881 176.2197 65 C 3.6548 6.6912 120.1827 58.8423 31.2703 171.8106 66 P 4.2902 0.0000 0.0000 65.5733 30.5558 176.9347 67 P 4.2869 0.0000 0.0000 65.4911 31.2755 178.6199 68 C 4.1547 7.9255 115.3258 62.5196 27.9542 175.4600 69 K 3.9790 8.0950 120.6655 59.6098 31.8970 178.3544 70 K 4.2113 7.6086 115.4433 58.3696 32.8987 177.6136 71 E 4.2610 7.7271 119.5406 57.8969 29.8171 177.6208 72 L 3.9065 7.9561 119.4668 57.5440 41.5761 177.6301 73 P 4.3796 0.0000 0.0000 65.3082 31.2121 178.4254 74 Q 3.8905 8.0690 118.9082 59.0887 28.9095 178.1252 75 F 3.8737 8.0069 118.4393 59.9857 38.8864 177.4845 76 Q 4.3581 8.3696 119.4199 59.3081 28.9506 178.0685 77 S 4.1038 8.4018 114.4625 61.4533 62.5487 175.8084 78 F 4.1606 8.1464 123.1788 61.5831 38.8851 176.3395 79 Y 3.7710 7.9867 117.6964 60.8519 38.6610 177.5882 80 D 4.3597 8.3464 118.7912 57.1638 40.9927 178.2657 81 A 3.9956 7.9002 120.2724 52.5543 19.7861 176.7561 82 H 3.5819 7.3464 115.2265 56.5990 28.5332 172.3777 83 P 4.3414 0.0000 0.0000 64.7659 32.0241 177.3586 84 S 4.7506 7.5265 109.7815 56.5162 65.0926 172.9711 85 D 4.7229 8.6081 123.9582 54.8384 41.9737 177.2534 86 S 4.7532 7.9252 112.9823 57.9289 64.3462 173.6512 87 V 4.9262 7.6494 119.8477 61.2656 34.3713 174.1887 88 K 4.6456 9.6067 129.9506 54.5633 34.4882 174.3955 89 L 5.1505 8.8551 130.3013 54.3104 42.9492 175.7760 90 V 4.6428 8.8978 126.4738 60.1575 34.4718 174.6558 91 T 4.9619 8.6253 119.6900 61.7050 71.9893 173.1052 92 V 4.4383 9.0181 126.6265 60.9291 33.7584 173.8636 93 N 3.6846 8.9932 128.1312 52.6341 40.2082 174.8661 94 L 4.5475 7.9554 127.7347 53.1099 40.4829 177.6355 95 V 3.7053 7.5023 121.8196 63.9058 31.9124 178.7725 96 N 4.5306 8.0843 115.4463 54.7548 38.5337 175.3737 97 S 4.7732 8.0404 113.8808 58.1068 63.1634 173.4298 98 E 4.8650 7.8823 120.0351 54.1342 31.9328 175.8647 99 Q 4.0088 8.5741 121.3365 58.4342 29.3176 176.5212 100 N 4.6757 7.3658 111.5124 51.0713 39.8922 174.5331 101 Q 4.0444 8.5312 117.8119 59.2694 28.9745 177.5658 102 Q 3.9472 8.1356 120.3307 59.0921 29.0588 178.1777 103 V 3.6325 8.3057 119.3648 66.0431 31.5290 178.0784 104 V 3.6441 7.4658 116.5167 66.1585 31.4164 177.4188 105 E 3.9602 8.3241 118.4539 59.9776 29.3609 179.4746 106 D 4.3983 8.6483 118.7828 57.2520 40.8240 178.6502 107 F 4.1145 8.4787 121.1742 61.4070 39.4560 177.0727 108 I 3.6761 8.4901 119.7431 64.2892 36.9442 178.2148 109 K 3.8052 8.1714 119.9309 59.6478 31.8816 178.6228 110 A 3.9817 8.3663 119.8326 54.7707 18.3520 178.3450 111 N 4.4143 7.8465 112.0331 51.8742 39.3069 175.1261 112 K 3.7038 7.6076 118.9664 57.1319 30.3662 175.6734 113 L 4.0860 7.6263 118.1070 54.8536 41.9249 177.6239 114 T 4.2841 8.8063 120.2305 63.1163 70.4427 174.7105 115 F 2.9676 6.5900 115.7173 54.8929 38.9582 172.9918 116 P 4.8355 0.0000 0.0000 62.4832 32.2837 175.4692 117 I 5.1319 8.7025 125.1095 59.4705 40.3165 174.6860 118 V 4.6406 9.1940 127.4305 60.9978 34.2647 174.1266 119 L 4.5864 8.3438 127.2156 53.0986 42.3571 177.4700 120 D 4.6251 8.5188 127.2666 53.2505 39.8095 176.9503 121 S 4.1292 7.8509 118.1161 61.1816 63.5525 176.0829 122 K 4.1919 8.0552 116.6219 56.0231 32.4070 177.3782 123 G 4.0426 7.8049 106.5634 45.4412 0.0000 174.7267 124 E 4.1961 8.1276 121.5141 59.0387 30.0316 179.3508 125 L 3.9348 8.0724 114.9133 55.6707 41.3790 178.6442 *127 K 4.1489 8.1598 121.6798 56.4766 33.6308 177.6053 128 E 3.8015 8.5852 118.3215 58.6948 29.5858 176.7973 129 Y 4.1349 7.8794 113.6161 56.8929 38.4964 175.1149 130 H 3.9946 7.3685 115.5856 56.7998 26.7826 175.7950 131 I 3.9763 7.4867 118.7651 61.1701 37.4711 176.4523 132 I 4.4891 8.3483 124.8947 60.9225 39.5181 175.7985 133 T 4.7486 7.7450 115.6491 61.3805 71.7021 173.1310 134 I 4.7423 7.8743 116.7322 58.3931 40.8691 173.3190 135 P 4.8991 0.0000 0.0000 62.4074 32.9122 175.2991 136 T 5.1091 8.3688 117.7309 62.0848 72.8619 173.0542 137 S 5.3987 9.1613 121.1675 56.8938 67.3559 173.1052 138 F 5.4649 9.6169 121.5781 55.6464 43.3565 173.8017 139 L 4.9220 8.4896 123.8269 53.5337 43.6949 175.0505 140 L 5.3074 9.0566 127.2572 53.0660 44.7641 176.8877 141 N 5.1349 8.5354 120.0799 51.6610 39.4869 175.6084 142 E 4.1761 8.6673 116.1963 58.8159 29.5019 178.5650 143 K 4.3604 8.2294 116.3468 55.8869 32.6053 177.2269 144 G 3.9896 8.3318 107.4549 45.6095 0.0000 173.7146 145 E 4.1700 8.5302 119.9328 55.5876 30.1846 176.2667 146 I 4.4548 8.1656 123.7620 61.0046 37.3409 175.4707 147 E 4.3048 9.2874 126.5296 58.0726 30.2945 177.5551 148 K 4.6601 7.6023 117.0189 54.6749 36.4465 175.5597 149 T 5.0476 8.6172 119.1964 61.6649 72.0236 173.2486 150 K 4.5517 9.2739 127.1087 54.8308 35.2945 174.6162 151 I 4.5625 8.4034 128.7958 60.9835 38.4954 175.8120 152 G 3.7900 9.0698 113.4894 43.7377 0.0000 170.8069 153 P 4.8003 0.0000 0.0000 61.7668 32.1754 176.4111 *155 T 3.9271 8.0533 108.0763 61.5631 70.8936 174.3478 156 A 3.7039 8.1473 123.1745 55.2891 18.2301 179.9885 157 E 3.8361 7.8490 117.4281 59.4631 29.8435 178.8118 158 Q 3.7768 7.7282 118.0447 58.6158 28.4162 178.6409 159 L 3.2790 7.0995 119.3124 57.3103 41.7423 179.1108 160 K 4.2249 7.7775 119.5580 59.4993 32.1294 178.4504 161 E 4.4891 8.1756 120.9847 58.6498 29.3453 178.8144 162 W 4.5017 8.0475 117.8919 59.6875 29.0899 178.0489 163 T 4.2813 7.8717 115.0401 65.6760 68.2862 174.5060 164 E 4.2043 8.2069 125.2021 56.5572 29.6199 176.3357 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 32 A 8.26 4.33 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 33 V 7.39 4.19 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 0.75 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.33 0.00 2.03 1.96 0.00 3.72 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 1.99 2.04 0.00 35 A 7.96 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.98 4.60 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 0.71 0.00 0.00 0.90 0.00 0.00 37 F 8.86 4.87 0.00 3.03 3.01 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 38 L 8.48 5.30 0.00 1.53 1.59 0.92 1.00 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 *40 K 8.52 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.66 7.81 41 T 9.13 4.23 4.51 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 0.00 0.00 1.32 0.00 0.00 42 I 8.56 3.65 2.05 0.00 0.00 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 1.32 0.63 0.91 0.00 0.00 43 E 8.22 4.33 0.00 2.12 1.93 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 2.32 2.32 0.00 44 G 8.21 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 45 E 7.85 4.12 0.00 2.10 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 2.41 2.38 0.00 46 D 8.65 5.11 0.00 2.63 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 47 I 8.45 4.82 1.91 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 1.45 1.21 0.96 0.00 0.00 48 S 8.40 5.77 0.00 3.90 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 49 I 8.23 4.86 2.16 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 1.45 0.78 1.00 0.00 0.00 50 P 0.00 4.86 0.00 2.11 2.15 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 51 N 8.39 4.83 0.00 2.82 2.83 0.00 0.00 6.86 7.63 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 52 K 9.03 3.60 0.00 1.73 1.79 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.80 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 54 Q 7.26 4.59 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 55 K 8.54 4.53 0.00 2.09 1.69 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.41 7.81 56 T 8.80 5.22 4.31 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 1.34 0.00 0.00 57 I 9.21 4.95 2.13 0.00 0.00 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 1.42 0.84 1.27 0.00 0.00 58 L 8.92 5.10 0.00 1.78 1.68 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.78 5.44 0.00 3.13 2.81 0.00 5.79 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 60 F 9.01 5.31 0.00 2.90 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 61 W 8.33 5.02 0.00 3.34 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 62 T 8.08 4.68 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 0.99 0.00 0.00 63 S 9.10 3.69 0.00 2.72 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 64 W 7.40 4.44 0.00 3.55 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 65 C 6.69 3.65 0.00 2.14 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 66 P 0.00 4.29 0.00 2.23 2.15 0.00 3.68 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 67 P 0.00 4.29 0.00 2.14 2.08 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 68 C 7.93 4.15 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 69 K 8.10 3.98 0.00 2.00 2.04 0.00 2.00 0.00 0.00 1.87 0.00 0.00 3.50 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.61 1.76 7.81 70 K 7.61 4.21 0.00 1.95 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.44 7.81 71 E 7.73 4.26 0.00 2.22 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 0.00 2.45 2.36 0.00 72 L 7.96 3.91 0.00 1.94 1.71 0.23 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.38 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 74 Q 8.07 3.89 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 75 F 8.01 3.87 0.00 2.65 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 0.00 0.00 0.00 0.00 76 Q 8.37 4.36 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 77 S 8.40 4.10 0.00 3.93 4.08 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 0.00 0.00 0.00 0.00 78 F 8.15 4.16 0.00 2.96 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 79 Y 7.99 3.77 0.00 3.12 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 80 D 8.35 4.36 0.00 2.92 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 81 A 7.90 4.00 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 82 H 7.35 3.58 0.00 2.94 3.13 0.00 5.96 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 83 P 0.00 4.34 0.00 2.16 2.14 0.00 3.19 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 84 S 7.53 4.75 0.00 3.81 3.71 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 85 D 8.61 4.72 0.00 2.70 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 86 S 7.93 4.75 0.00 3.95 4.09 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 87 V 7.65 4.93 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 0.97 0.00 0.00 1.00 0.00 0.00 88 K 9.61 4.65 0.00 1.95 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 89 L 8.86 5.15 0.00 2.07 1.86 1.29 1.13 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 90 V 8.90 4.64 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 0.75 0.00 0.00 0.89 0.00 0.00 91 T 8.63 4.96 4.85 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 1.86 0.00 0.00 92 V 9.02 4.44 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 0.77 0.00 0.00 0.34 0.00 0.00 93 N 8.99 3.68 0.00 1.81 2.24 0.00 0.00 6.76 6.87 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 94 L 7.96 4.55 0.00 1.62 1.55 0.90 0.73 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 95 V 7.50 3.71 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 0.83 0.00 0.00 0.89 0.00 0.00 96 N 8.08 4.53 0.00 2.74 2.91 0.00 0.00 6.80 7.57 0.00 0.00 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 S 8.04 4.77 0.00 4.09 4.15 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 98 E 7.88 4.87 0.00 2.07 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 2.41 2.38 0.00 99 Q 8.57 4.01 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.37 4.68 0.00 2.93 2.89 0.00 0.00 5.74 7.44 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 0.00 101 Q 8.53 4.04 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 102 Q 8.14 3.95 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 103 V 8.31 3.63 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 1.08 0.00 0.00 1.00 0.00 0.00 104 V 7.47 3.64 2.23 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 0.97 0.00 0.00 0.95 0.00 0.00 105 E 8.32 3.96 0.00 2.30 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 0.00 2.36 2.47 0.00 106 D 8.65 4.40 0.00 2.89 2.78 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 0.00 107 F 8.48 4.11 0.00 3.31 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 0.00 108 I 8.49 3.68 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 0.86 0.00 0.00 109 K 8.17 3.81 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.37 3.98 1.24 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 0.00 0.00 0.00 111 N 7.85 4.41 0.00 2.25 2.54 0.00 0.00 7.17 7.72 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 0.00 112 K 7.61 3.70 0.00 1.82 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.63 4.09 0.00 1.35 0.89 0.81 0.62 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 0.00 114 T 8.81 4.28 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 1.37 0.00 0.00 115 F 6.59 2.97 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 0.00 116 P 0.00 4.84 0.00 2.26 2.09 0.00 3.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 117 I 8.70 5.13 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 1.11 0.00 0.00 118 V 9.19 4.64 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 0.91 0.00 0.00 0.93 0.00 0.00 119 L 8.34 4.59 0.00 1.51 1.54 0.84 1.02 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 0.00 120 D 8.52 4.63 0.00 2.71 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 0.00 121 S 7.85 4.13 0.00 3.90 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 0.00 122 K 8.06 4.19 0.00 1.78 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.40 7.81 123 G 7.80 4.04 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 0.00 0.00 0.00 124 E 8.13 4.20 0.00 2.14 2.27 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 2.47 2.39 0.00 125 L 8.07 3.93 0.00 2.22 1.96 -0.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.16 4.15 0.00 1.92 2.07 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.59 3.80 0.00 2.03 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 0.00 2.23 1.47 0.00 129 Y 7.88 4.13 0.00 2.88 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 0.00 130 H 7.37 3.99 0.00 3.26 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.49 3.98 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.73 0.00 0.00 132 I 8.35 4.49 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 1.60 0.90 0.92 0.00 0.00 133 T 7.74 4.75 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 1.20 0.00 0.00 134 I 7.87 4.74 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.88 0.00 0.00 135 P 0.00 4.90 0.00 2.16 2.13 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 136 T 8.37 5.11 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 0.81 0.00 0.00 137 S 9.16 5.40 0.00 3.81 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 0.00 138 F 9.62 5.46 0.00 2.91 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 0.00 139 L 8.49 4.92 0.00 0.43 1.08 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.06 5.31 0.00 1.62 1.59 1.02 0.55 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 0.00 141 N 8.54 5.13 0.00 2.97 3.20 0.00 0.00 6.99 7.53 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 0.00 142 E 8.67 4.18 0.00 2.07 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 0.00 2.57 2.35 0.00 143 K 8.23 4.36 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 144 G 8.33 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 0.00 0.00 0.00 145 E 8.53 4.17 0.00 2.19 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 2.32 2.28 0.00 146 I 8.17 4.45 1.93 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 1.45 0.49 1.14 0.00 0.00 147 E 9.29 4.30 0.00 1.74 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 2.27 2.24 0.00 148 K 7.60 4.66 0.00 0.79 1.35 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.84 0.21 7.81 149 T 8.62 5.05 4.33 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 1.16 0.00 0.00 150 K 9.27 4.55 0.00 2.01 1.62 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.28 7.81 151 I 8.40 4.56 1.86 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 1.23 0.71 0.90 0.00 0.00 152 G 9.07 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 0.00 153 P 0.00 4.80 0.00 2.01 2.02 0.00 3.74 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 *155 T 8.05 3.93 4.10 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 1.10 0.00 0.00 156 A 8.15 3.70 1.30 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 0.00 157 E 7.85 3.84 0.00 2.01 1.84 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 2.32 2.39 0.00 158 Q 7.73 3.78 0.00 1.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.10 3.28 0.00 0.82 0.13 -0.54 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.78 4.22 0.00 2.02 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 8.18 4.49 0.00 2.12 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 0.00 2.52 2.38 0.00 162 W 8.05 4.50 0.00 3.35 3.19 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 0.00 163 T 7.87 4.28 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 1.29 0.00 0.00 164 E 8.21 4.20 0.00 2.22 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 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.