NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3445 0.0000 0.0000 62.1815 33.5899 176.8292 3 K 3.8745 7.9406 119.6905 55.7176 32.4976 174.7088 4 L 4.2238 8.5379 126.4212 54.2504 43.8209 175.7429 5 D 4.7623 8.2438 121.1854 52.3199 41.3396 176.7515 6 L 4.0712 8.3370 128.0731 57.7334 41.9183 179.5500 7 D 4.4098 7.8457 117.2501 56.3727 40.9384 177.2759 8 S 4.3693 7.7219 112.5360 59.7030 62.8413 174.5325 9 I 3.8794 7.1005 121.5903 60.5311 37.3204 175.4926 10 E 3.9285 8.6487 126.0075 56.3494 30.0262 175.7057 11 R 4.5114 8.4632 126.6369 55.6448 31.1481 175.3808 12 R 4.7707 9.0540 126.4442 54.8332 32.5144 175.4947 13 I 4.6202 7.8282 115.0356 60.1453 41.4543 175.0233 14 G 3.8196 9.8036 110.3485 45.4714 0.0000 172.0773 15 S 4.3969 7.8836 111.6350 57.8177 65.7876 174.5033 16 V 3.9327 7.5642 111.9225 61.3981 31.4636 176.4389 17 Y 3.5946 7.4108 119.1430 56.7989 38.5615 173.9065 18 P 4.3777 0.0000 0.0000 63.0914 33.5307 176.8141 19 G 3.7170 8.3814 108.5183 46.4250 0.0000 176.9983 20 R 3.9728 9.1453 119.0414 58.5467 29.6417 179.2037 21 L 3.9427 7.7750 119.1868 57.3525 41.1720 178.3645 22 N 4.2929 7.7000 116.4148 56.9350 38.8605 176.4476 23 A 4.2775 7.5441 119.1364 54.2089 18.6554 179.4495 24 A 4.0838 7.9131 123.0561 51.6043 17.4672 177.2866 *26 D 4.2920 8.0800 119.1048 56.9066 42.2703 176.6772 27 G 3.9452 9.0061 111.9194 44.7928 0.0000 172.1778 28 R 5.0748 7.5833 120.3703 55.1279 31.3256 175.3237 29 S 5.1066 8.9315 120.0627 57.1502 67.3948 172.5771 30 S 5.0367 8.8220 113.1247 57.2826 66.7728 172.9255 31 L 4.8553 8.6997 121.3517 53.2098 44.3969 176.6506 32 R 5.1816 8.4574 124.9156 54.6367 29.0584 176.9970 33 L 4.1546 8.8285 124.9417 57.2405 41.8080 179.2410 34 G 3.5580 8.0073 105.3194 47.9079 0.0000 175.3714 35 D 4.2907 8.0473 121.1153 56.9840 40.7246 178.5039 36 A 4.1409 7.8528 120.0779 54.5340 18.3781 178.8715 37 G 3.9380 7.5622 101.6806 44.0013 0.0000 174.3316 38 G 3.8548 7.7912 108.4551 46.0574 0.0000 173.8765 39 L 4.3298 7.7208 119.0681 53.5538 42.5296 177.0283 40 S 4.5702 8.0708 113.3195 58.0179 64.7842 174.9636 41 Q 4.4481 7.7807 119.7747 57.5786 29.8022 175.5005 42 F 5.4159 7.3401 111.7119 55.2696 41.3438 174.3151 43 G 4.2027 9.4503 107.6696 45.2307 0.0000 173.0830 44 V 5.0049 8.2959 120.8099 61.1243 34.7400 173.7452 45 N 5.5314 9.3755 125.6814 51.3349 42.2971 173.4730 46 L 4.5916 8.6572 125.7229 53.8419 43.5294 174.9787 47 V 4.4376 8.1563 127.7856 60.9439 33.8132 174.1511 48 R 4.8551 9.0963 128.5646 54.5325 32.4866 174.2823 49 L 5.1969 9.1617 127.0495 52.8888 43.8533 176.2925 50 E 4.4812 9.3661 124.4248 55.1235 31.0697 175.0328 51 P 4.3623 0.0000 0.0000 64.8389 31.6410 176.9163 52 G 3.9499 9.1476 112.2797 45.1262 0.0000 173.4781 53 A 4.4408 8.0610 121.6782 51.8074 19.8167 176.5138 54 K 5.2669 8.3501 117.3556 54.6074 35.7039 177.2048 55 S 4.6945 9.4019 117.7044 60.6633 63.6707 174.1296 56 S 5.0219 7.6044 113.7087 58.0156 64.5569 177.0341 57 L 4.1485 8.5906 121.0904 54.1026 42.0639 177.3531 58 R 4.2862 8.5601 122.9777 57.4904 31.1388 174.9778 59 H 5.3055 8.6271 120.8653 54.9797 32.7189 171.5612 60 Y 4.9990 8.2760 115.4125 56.1199 41.6301 175.3974 61 H 4.9415 8.7429 118.1644 55.1259 31.6118 174.8879 *63 E 4.4222 8.5347 117.2162 56.5518 32.1881 175.6053 64 Q 4.6431 8.0146 118.0041 53.7270 30.8722 175.8390 65 D 4.8540 8.7865 123.7215 54.7113 42.5086 174.9141 66 E 5.3113 9.1472 121.2998 54.7661 33.7532 173.8012 67 F 5.2766 9.7143 128.0927 56.7035 43.3108 173.7174 68 V 5.3617 7.3213 123.9513 60.0133 35.7659 173.5100 *70 V 4.1750 8.1552 119.2216 63.3283 31.9917 176.1334 71 T 4.6291 8.7730 117.5455 62.7989 70.6869 174.2887 72 E 4.5557 8.1618 117.7336 56.3195 33.0124 177.0742 73 G 4.1864 8.7466 109.2736 44.6587 0.0000 172.0802 74 A 4.8542 8.3942 119.0791 50.1693 21.4839 175.9165 75 L 5.0689 8.5982 120.0076 52.8892 46.7695 175.2655 76 V 4.7650 8.5897 119.9243 61.1400 34.0753 173.9793 77 L 4.1276 9.1043 131.0559 53.9604 43.4510 175.1086 78 V 4.7035 8.2885 127.5019 61.5360 33.4651 174.4688 79 D 5.7288 8.7472 127.4285 51.3556 41.6627 175.2452 80 D 4.3588 9.5817 117.7043 57.9658 40.8304 177.9434 81 Q 4.3503 8.2969 115.8014 55.8376 29.8031 176.0261 82 G 3.9041 8.0955 104.0732 44.1256 0.0000 172.2095 83 E 4.8987 8.3105 121.6880 55.1167 31.6834 175.6204 84 H 4.8798 9.0112 121.0220 53.3915 32.4263 172.1156 85 P 4.9176 0.0000 0.0000 61.9142 33.0601 175.4185 *87 V 3.9327 8.1227 111.9184 60.5125 32.6235 173.0533 88 P 4.5815 0.0000 0.0000 64.4253 31.3528 177.0269 89 G 4.0698 9.1538 112.4082 45.4270 0.0000 173.8055 90 D 4.5712 7.8188 119.4525 54.3912 41.3977 175.5428 91 C 4.8616 8.3538 119.0289 57.8483 32.0619 173.2667 92 A 4.5869 8.2639 123.2932 49.9566 22.4092 174.7561 93 A 4.6827 7.9394 121.3887 50.0391 22.1173 176.2319 94 F 4.7399 8.9007 120.8800 54.5899 41.0088 172.5812 95 P 4.8951 0.0000 0.0000 61.7844 32.6640 175.9278 96 A 4.0416 9.2248 127.3558 54.1513 18.6883 177.8236 97 G 4.0864 9.3348 112.2544 45.3334 0.0000 173.1917 98 D 4.2696 7.5124 119.4713 53.7375 41.4829 175.3660 99 P 2.9700 0.0000 0.0000 61.1265 29.9360 176.5682 100 N 4.9231 6.4759 115.3316 50.6705 40.7072 173.3923 101 G 4.5280 8.7028 113.6423 46.0253 0.0000 170.4033 102 H 5.9827 9.2327 119.0506 52.8454 32.4322 172.1356 103 Q 4.8279 8.1171 116.0354 55.3461 32.2135 172.6451 104 F 5.1326 9.5331 118.9649 55.6885 42.0515 174.8677 105 V 4.7562 8.8449 122.6813 61.1288 34.8358 174.0339 106 N 5.0356 9.2222 127.1064 52.7790 39.0850 175.2088 107 R 4.4069 8.6238 124.5959 56.2425 30.8017 176.9566 108 T 4.3274 7.9144 109.3426 60.9695 70.1451 173.9332 109 D 4.6559 8.5137 118.1219 53.9412 41.2310 174.8904 110 A 4.9431 7.4064 118.1694 49.4300 22.0827 174.8252 111 P 4.7435 0.0000 0.0000 62.7791 32.3967 176.0051 112 A 4.9739 9.0334 122.6767 50.6900 22.9253 175.3013 113 T 5.2642 8.8567 116.5982 61.8182 72.8937 173.1638 114 F 5.1998 8.4762 118.1947 55.2395 42.0991 172.8831 115 L 5.0155 8.6360 122.8891 54.0952 43.7399 175.3413 116 V 5.1737 9.0311 125.9976 59.9574 34.5078 174.4625 117 V 5.0131 9.3924 125.0875 61.0938 34.3382 174.5044 118 G 4.5957 9.0532 113.9611 44.5630 0.0000 172.0433 119 T 4.4805 8.4809 121.2530 64.2215 69.3513 173.8032 120 R 4.6569 8.6687 124.9706 55.2986 31.0665 176.2395 121 T 4.7552 8.3081 112.9310 58.9342 72.2167 172.1331 122 P 4.3570 0.0000 0.0000 65.2993 31.5830 176.3857 123 T 4.8704 7.4633 105.0920 60.0399 72.0613 172.8297 124 E 4.9257 8.7948 121.7482 55.4476 33.7464 173.7570 125 T 4.9370 8.3666 120.1646 61.6012 71.7230 173.0284 126 A 4.5503 8.2139 127.7111 50.1046 21.7247 174.9115 127 Y 4.5102 7.5694 118.8214 56.3418 40.6058 174.4305 128 Y 4.7522 8.5847 121.3663 56.9707 38.9059 176.2210 129 S 4.3478 9.4042 121.3090 61.1485 63.2861 175.4584 130 D 4.3926 8.0110 117.3614 54.2684 40.4747 175.8105 *132 D 4.2368 7.8100 119.5528 53.8837 41.2169 174.1976 *135 V 3.8219 7.7951 125.3800 61.2358 33.4286 174.3617 136 K 4.8289 8.6607 122.2437 54.6712 34.9172 174.6924 137 Q 4.7222 9.0388 126.9303 54.4330 31.6728 174.4898 138 D 5.1887 8.5964 123.1651 51.0773 42.2260 175.4335 139 A 3.9781 8.5543 120.5819 55.2555 18.4068 178.8278 140 S 4.3624 7.9527 108.5353 58.4003 64.4835 173.8762 141 G 3.7768 6.7910 108.2682 44.3743 0.0000 172.3032 142 F 5.0834 8.9359 121.0588 55.5360 41.9620 174.9394 143 A 4.6819 9.1834 126.0838 50.3131 20.5943 175.2144 144 F 4.8556 8.9602 121.0229 57.7313 39.8919 175.7525 145 T 4.6812 8.2702 111.7840 60.1651 71.9639 173.0559 146 R 4.4703 8.7225 120.7589 55.1095 30.5810 178.3910 147 K 4.2803 9.1379 119.3111 59.0897 32.0226 178.0817 148 D 4.6183 8.1745 116.7746 53.0574 39.5793 177.3978 149 G 4.0206 8.5322 109.6379 46.0942 0.0000 174.4332 150 S 4.4369 8.9171 115.2058 56.9216 63.9293 172.0549 151 P 4.6658 0.0000 0.0000 62.1243 31.6901 176.8004 152 L 4.2869 8.4009 121.6083 55.2749 42.2631 176.9291 153 T 4.5105 8.7435 112.1326 59.5257 71.2222 175.5868 154 A 4.1331 8.4903 124.4779 55.5065 18.5500 179.6991 155 D 4.3550 8.1512 114.2640 57.5668 41.2187 178.1228 156 Q 4.1463 7.8376 117.4477 58.0711 29.1502 176.8835 157 I 4.2706 8.2667 108.6694 59.9410 38.3428 175.7852 158 G 3.9921 8.3884 116.0778 46.1146 0.0000 173.5550 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 P 0.00 4.34 0.00 2.06 2.18 0.00 3.65 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 1.92 2.07 0.00 3 K 7.94 3.87 0.00 1.80 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.53 7.81 4 L 8.54 4.22 0.00 1.68 1.58 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.24 4.76 0.00 2.72 2.55 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 6 L 8.34 4.07 0.00 1.79 1.70 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.41 0.00 2.65 2.72 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 0.00 0.00 0.00 0.00 8 S 7.72 4.37 0.00 3.86 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 9 I 7.10 3.88 1.86 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 1.18 0.85 0.90 0.00 0.00 10 E 8.65 3.93 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 2.30 0.00 11 R 8.46 4.51 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 12 R 9.05 4.77 0.00 1.87 1.80 0.00 3.11 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 13 I 7.83 4.62 1.87 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 1.27 0.65 0.90 0.00 0.00 14 G 9.80 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 0.00 0.00 0.00 15 S 7.88 4.40 0.00 3.75 3.84 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 16 V 7.56 3.93 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 0.45 0.00 0.00 0.10 0.00 0.00 17 Y 7.41 3.59 0.00 2.77 2.47 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 18 P 0.00 4.38 0.00 2.09 2.00 0.00 3.28 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 19 G 8.38 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.15 3.97 0.00 1.90 2.17 0.00 2.73 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 21 L 7.78 3.94 0.00 1.71 1.43 0.65 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.70 4.29 0.00 2.79 2.84 0.00 0.00 7.17 8.76 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 23 A 7.54 4.28 1.35 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 24 A 7.91 4.08 1.23 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 *26 D 8.08 4.29 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 3.95 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 0.00 0.00 0.00 28 R 7.58 5.07 0.00 2.04 1.89 0.00 3.34 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 29 S 8.93 5.11 0.00 3.93 3.88 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 30 S 8.82 5.04 0.00 3.82 3.87 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 31 L 8.70 4.86 0.00 1.55 1.57 0.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.46 5.18 0.00 1.85 1.89 0.00 3.41 0.00 0.00 3.49 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 33 L 8.83 4.15 0.00 1.85 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.01 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 35 D 8.05 4.29 0.00 2.69 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 36 A 7.85 4.14 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 G 7.56 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 38 G 7.79 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 0.00 0.00 0.00 39 L 7.72 4.33 0.00 1.32 1.06 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.07 4.57 0.00 3.87 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 41 Q 7.78 4.45 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 42 F 7.34 5.42 0.00 3.11 2.97 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 43 G 9.45 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 0.00 0.00 0.00 0.00 44 V 8.30 5.00 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 1.11 0.00 0.00 1.27 0.00 0.00 45 N 9.38 5.53 0.00 2.63 2.62 0.00 0.00 6.13 7.08 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 46 L 8.66 4.59 0.00 1.74 1.49 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.16 4.44 0.67 0.00 0.00 0.00 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 0.66 0.00 0.00 48 R 9.10 4.86 0.00 1.79 1.70 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 49 L 9.16 5.20 0.00 1.69 1.65 1.21 1.17 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 50 E 9.37 4.48 0.00 1.86 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 2.52 2.45 0.00 51 P 0.00 4.36 0.00 2.05 2.20 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 52 G 9.15 3.95 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 0.00 0.00 0.00 53 A 8.06 4.44 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 5.27 0.00 1.67 1.88 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 55 S 9.40 4.69 0.00 4.26 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 0.00 56 S 7.60 5.02 0.00 4.19 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 57 L 8.59 4.15 0.00 1.69 1.60 -0.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.56 4.29 0.00 1.90 1.86 0.00 3.37 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 59 H 8.63 5.31 0.00 2.62 2.67 0.00 5.27 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.28 5.00 0.00 3.01 3.10 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 61 H 8.74 4.94 0.00 3.40 3.59 0.00 5.65 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 *63 E 8.53 4.42 0.00 2.06 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 0.00 2.33 2.50 0.00 64 Q 8.01 4.64 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 65 D 8.79 4.85 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 5.31 0.00 2.14 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 2.42 2.54 0.00 67 F 9.71 5.28 0.00 3.04 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 68 V 7.32 5.36 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 0.26 0.00 0.00 1.03 0.00 0.00 *70 V 8.16 4.17 2.30 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 1.09 0.00 0.00 0.91 0.00 0.00 71 T 8.77 4.63 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 1.25 0.00 0.00 72 E 8.16 4.56 0.00 2.04 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 2.28 2.33 0.00 73 G 8.75 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 74 A 8.39 4.85 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 75 L 8.60 5.07 0.00 1.71 1.76 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.59 4.76 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 0.99 0.00 0.00 0.94 0.00 0.00 77 L 9.10 4.13 0.00 1.38 1.59 0.29 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.29 4.70 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 0.87 0.00 0.00 0.86 0.00 0.00 79 D 8.75 5.73 0.00 3.07 2.76 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 0.00 0.00 0.00 80 D 9.58 4.36 0.00 2.77 2.75 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 81 Q 8.30 4.35 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 82 G 8.10 3.90 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 0.00 0.00 0.00 83 E 8.31 4.90 0.00 1.78 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 2.16 2.25 0.00 84 H 9.01 4.88 0.00 2.96 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.92 0.00 2.09 2.12 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 *87 V 8.12 3.93 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 0.76 0.00 0.00 0.97 0.00 0.00 88 P 0.00 4.58 0.00 2.06 2.18 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 89 G 9.15 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 D 7.82 4.57 0.00 2.85 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 91 C 8.35 4.86 0.00 2.89 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 92 A 8.26 4.59 1.01 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 93 A 7.94 4.68 1.14 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 0.00 0.00 94 F 8.90 4.74 0.00 2.96 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 95 P 0.00 4.90 0.00 2.11 1.99 0.00 3.67 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 2.10 0.00 96 A 9.22 4.04 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 97 G 9.33 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 0.00 0.00 0.00 98 D 7.51 4.27 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 99 P 0.00 2.97 0.00 1.83 1.69 0.00 3.61 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 1.78 1.80 0.00 100 N 6.48 4.92 0.00 2.56 2.73 0.00 0.00 7.32 7.98 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 0.00 101 G 8.70 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 0.00 102 H 9.23 5.98 0.00 2.67 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.12 4.83 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 104 F 9.53 5.13 0.00 2.76 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 0.00 105 V 8.84 4.76 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 0.97 0.00 0.00 0.94 0.00 0.00 106 N 9.22 5.04 0.00 2.89 2.89 0.00 0.00 6.92 8.45 0.00 0.00 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 R 8.62 4.41 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 108 T 7.91 4.33 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 1.32 0.00 0.00 109 D 8.51 4.66 0.00 2.64 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 0.00 110 A 7.41 4.94 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 0.00 111 P 0.00 4.74 0.00 1.96 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 112 A 9.03 4.97 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 0.00 113 T 8.86 5.26 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 1.16 0.00 0.00 114 F 8.48 5.20 0.00 2.79 2.91 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 0.00 115 L 8.64 5.02 0.00 1.85 1.68 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 V 9.03 5.17 2.50 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 0.97 0.00 0.00 1.19 0.00 0.00 117 V 9.39 5.01 2.22 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 0.94 0.00 0.00 1.04 0.00 0.00 118 G 9.05 4.60 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 0.00 0.00 0.00 119 T 8.48 4.48 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 0.00 120 R 8.67 4.66 0.00 1.90 1.88 0.00 3.27 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 121 T 8.31 4.76 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 1.25 0.00 0.00 122 P 0.00 4.36 0.00 2.18 2.12 0.00 3.53 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 2.10 2.07 0.00 123 T 7.46 4.87 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 1.17 0.00 0.00 124 E 8.79 4.93 0.00 2.04 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 2.26 2.12 0.00 125 T 8.37 4.94 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 0.68 0.00 0.00 126 A 8.21 4.55 0.77 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 0.00 0.00 127 Y 7.57 4.51 0.00 2.25 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 0.00 128 Y 8.58 4.75 0.00 2.98 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 0.00 129 S 9.40 4.35 0.00 3.93 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 0.00 130 D 8.01 4.39 0.00 2.69 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 *132 D 7.81 4.24 0.00 2.81 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 *135 V 7.80 3.82 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 0.62 0.00 0.00 -0.07 0.00 0.00 136 K 8.66 4.83 0.00 1.58 1.62 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.21 7.81 137 Q 9.04 4.72 0.00 1.68 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 138 D 8.60 5.19 0.00 2.79 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 0.00 139 A 8.55 3.98 1.26 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 0.00 0.00 140 S 7.95 4.36 0.00 4.01 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 0.00 141 G 6.79 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 0.00 142 F 8.94 5.08 0.00 2.90 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 0.00 143 A 9.18 4.68 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 0.00 144 F 8.96 4.86 0.00 2.92 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 0.00 145 T 8.27 4.68 4.62 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 1.25 0.00 0.00 146 R 8.72 4.47 0.00 2.07 2.23 0.00 3.28 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 147 K 9.14 4.28 0.00 1.88 1.98 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.71 1.63 7.81 148 D 8.17 4.62 0.00 2.81 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 0.00 149 G 8.53 4.02 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 0.00 0.00 0.00 150 S 8.92 4.44 0.00 4.00 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 0.00 151 P 0.00 4.67 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 152 L 8.40 4.29 0.00 1.64 1.60 0.95 0.93 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 0.00 153 T 8.74 4.51 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 1.22 0.00 0.00 154 A 8.49 4.13 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 0.00 155 D 8.15 4.36 0.00 2.67 2.75 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 0.00 156 Q 7.84 4.15 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 157 I 8.27 4.27 1.93 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 1.36 0.88 0.82 0.00 0.00 158 G 8.39 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 * Residues marked with a * may have inaccurate shift predictions.