NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6921 8.3493 120.3269 52.7775 41.4152 175.2892 2 S 4.5952 7.6697 113.3218 53.8713 65.8594 171.9180 3 K 2.4800 8.9874 125.0431 55.5593 32.9807 176.2085 4 P 4.1601 0.0000 0.0000 61.9649 32.4989 174.3166 5 P 4.3536 0.0000 0.0000 62.6808 31.1866 175.3195 6 Y 5.1931 6.7720 113.9623 56.2439 42.2483 176.6508 7 S 4.2604 9.4383 118.8496 58.0653 65.4479 175.2355 8 Y 4.1580 8.1652 119.1145 61.0370 37.5909 178.4620 9 A 4.3172 8.1483 121.4263 55.3226 18.5267 179.5864 10 Q 3.8616 8.1892 116.5662 59.0264 28.8085 178.8413 11 L 3.8219 7.8918 119.9612 57.7785 41.5443 179.6447 12 I 3.5565 7.8203 119.6711 64.3132 36.9740 178.6050 13 V 3.6757 7.8924 119.0007 66.0241 31.1906 177.8825 14 Q 3.8276 8.2151 117.9099 58.9735 28.3606 178.9116 15 A 3.4736 8.0837 120.2558 55.0442 18.6753 179.4828 16 I 3.8265 7.9484 118.6867 64.8900 37.0677 178.6356 17 T 3.8591 7.6463 109.1530 65.3310 68.3094 175.3730 18 M 4.1809 7.6372 119.3461 56.6508 32.9260 176.2976 19 A 4.3135 7.6104 122.7188 50.8156 19.3076 175.8423 20 P 4.1917 0.0000 0.0000 66.5969 31.1135 177.3157 21 D 4.4256 7.9650 116.1561 53.0776 40.9285 176.0683 22 K 4.1152 7.7064 119.6080 56.5443 30.9355 174.6992 23 Q 4.9392 7.5365 112.2078 55.5083 31.3702 174.0068 24 L 5.2600 9.0264 120.4838 53.7415 46.9707 175.4709 25 T 4.7973 8.4247 110.3378 59.8772 71.0170 175.3016 26 L 3.6056 8.9072 123.9923 58.5724 41.7559 178.4863 27 N 4.3374 8.1850 116.1099 57.0156 38.7938 176.6241 28 G 3.7315 7.9783 106.4136 47.9713 0.0000 175.5963 29 I 3.7806 8.0772 122.4535 64.3005 37.1372 177.9986 30 Y 4.6367 8.2662 117.9467 61.7625 37.6843 178.6582 31 T 4.0374 8.5538 114.1389 65.4743 67.3895 175.5926 32 H 4.1914 8.5231 120.2999 59.1871 29.8862 177.3167 33 I 3.8761 7.8624 121.1575 64.8949 36.8431 178.3860 34 T 4.3421 7.8749 111.6788 64.3654 67.2204 175.8907 35 K 4.1395 7.7438 121.3221 59.3728 32.3640 177.9279 36 N 4.5971 7.9791 115.4091 54.0182 40.1552 174.8894 37 Y 4.7524 8.2243 118.9847 54.2879 38.2561 173.7535 38 P 4.3978 0.0000 0.0000 65.7001 31.6470 177.7166 39 Y 3.9428 8.3265 119.0022 60.6443 38.4570 175.8941 40 Y 3.7919 7.6071 118.0085 57.5193 37.5466 175.0742 41 R 4.7835 7.9304 122.7286 54.3605 32.0217 177.9956 42 T 4.1215 8.6685 110.5699 63.4871 68.9508 175.1895 43 A 4.0445 8.0151 125.3145 54.8350 18.8027 177.3552 44 D 4.6241 7.9244 116.1647 53.6546 41.0912 176.9708 45 K 3.9242 8.4844 124.6658 56.3578 32.3194 178.0565 46 G 3.7531 7.9434 106.0343 48.6759 0.0000 175.7114 47 W 4.1701 8.2747 119.1161 58.8574 28.3393 178.2131 48 Q 3.5468 6.8563 118.6959 58.5034 28.0026 177.9866 49 N 4.3112 8.0216 117.7242 56.1139 38.5105 177.5423 50 S 3.9815 7.4813 116.7855 61.6160 62.8288 176.8540 51 I 3.5407 7.5011 122.2606 64.4527 36.8499 178.8089 52 R 3.6834 7.6846 118.4569 59.1223 29.7397 178.6704 53 H 4.1182 8.5285 118.5252 59.4739 30.0680 177.1191 54 N 4.2915 8.6785 118.5326 56.1817 38.0504 177.4631 55 L 3.5862 7.3727 119.6691 57.7251 41.6074 179.4343 56 S 4.3774 7.4131 113.3240 61.8208 62.8507 175.9468 57 L 4.1473 7.9629 122.3771 56.9749 42.0088 176.4473 58 N 4.1900 8.1793 118.7548 53.4469 38.5984 176.2582 59 R 4.1447 8.2925 119.7595 57.7920 29.9615 177.1822 60 Y 4.4314 7.5443 117.2383 60.1934 39.1691 175.1326 61 F 5.5796 8.1867 118.5811 55.8019 40.9867 175.3018 62 I 4.6033 8.9603 124.5723 59.3012 40.3202 174.0072 63 K 4.0338 8.5587 129.8277 55.1116 33.2314 175.4884 64 V 4.2285 8.2734 128.3918 60.3673 33.3005 173.1512 65 P 4.4670 0.0000 0.0000 62.8923 31.5991 176.1097 66 R 4.4745 8.4650 125.0200 55.1190 31.6107 174.4690 67 S 4.1454 8.5463 118.9236 59.9369 62.7380 174.8345 68 Q 4.4975 8.3820 113.0798 55.6648 31.7273 175.8194 69 E 4.1350 8.4472 117.6916 57.2322 29.8984 176.6515 70 E 4.8849 7.5368 112.2021 56.4279 32.5027 174.1694 71 P 4.6034 0.0000 0.0000 62.4251 31.8156 178.1025 72 G 4.0938 7.7990 103.3823 47.0770 0.0000 173.9001 73 K 4.2022 8.0646 118.5903 56.6013 34.5827 175.2615 74 G 3.4780 7.5235 111.1911 41.0000 0.0000 172.8422 75 S 4.3233 7.9984 114.1541 58.0344 65.0595 173.3988 76 F 4.9620 8.5466 118.6520 56.2930 41.5216 175.5116 77 W 5.5415 9.7132 121.0141 55.0621 32.5757 174.8574 78 R 5.1198 8.9574 119.7772 54.2977 33.1056 174.2903 79 I 4.6390 8.3763 120.0957 60.5177 38.5205 175.5204 80 D 4.2536 9.2058 126.0555 54.7561 41.7621 174.8896 81 P 4.1602 0.0000 0.0000 65.9548 31.6109 178.2969 82 A 4.0246 8.1177 119.5185 54.6007 18.5244 178.1514 83 S 4.6235 7.9932 107.7898 58.0340 64.1068 175.5098 84 E 3.8224 8.1484 123.2347 59.7958 29.2444 178.4734 85 S 4.0395 8.0274 112.3811 61.2942 62.2997 175.8410 86 K 3.8738 7.9218 121.5999 59.4876 32.0040 178.5280 87 L 3.7924 7.7953 119.1024 57.7389 41.2892 179.2771 88 I 3.6552 7.6272 118.7105 64.7247 37.2183 177.8695 89 E 4.0720 7.8559 117.6527 58.7038 29.7374 177.8747 90 Q 4.3713 7.7178 116.4890 56.1493 29.2113 177.2113 91 A 3.7994 8.0666 123.2364 54.4796 18.3883 178.1811 92 F 4.1882 7.8573 110.6909 56.9413 39.9366 176.0454 93 R 4.1801 7.8722 122.0021 55.7348 28.1492 175.5942 94 K 4.1132 8.6754 123.1052 56.8190 32.6936 176.5333 95 R 4.6244 8.0399 121.0982 54.8504 32.2887 176.5909 *96 R 4.1254 8.4464 115.2664 56.8808 30.0991 170.9843 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 D 8.35 4.69 0.00 2.82 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 2 S 7.67 4.60 0.00 3.96 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 3 K 8.99 2.48 0.00 0.79 1.22 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.89 0.41 7.81 4 P 0.00 4.16 0.00 1.66 1.49 0.00 3.36 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.06 0.00 5 P 0.00 4.35 0.00 1.89 1.95 0.00 2.84 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.62 0.00 6 Y 6.77 5.19 0.00 2.70 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 7 S 9.44 4.26 0.00 3.99 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 8 Y 8.17 4.16 0.00 3.20 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 9 A 8.15 4.32 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 0.00 0.00 0.00 0.00 0.00 10 Q 8.19 3.86 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 11 L 7.89 3.82 0.00 1.80 1.64 0.59 0.45 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 12 I 7.82 3.56 1.84 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 -0.05 0.00 0.00 13 V 7.89 3.68 2.18 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 0.98 0.00 0.00 1.02 0.00 0.00 14 Q 8.22 3.83 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.29 1.93 0.00 15 A 8.08 3.47 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 16 I 7.95 3.83 1.93 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 1.62 0.75 1.04 0.00 0.00 17 T 7.65 3.86 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 1.34 0.00 0.00 18 M 7.64 4.18 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.83 0.00 19 A 7.61 4.31 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 20 P 0.00 4.19 0.00 2.19 2.21 0.00 3.81 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 2.01 2.04 0.00 21 D 7.96 4.43 0.00 2.53 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 K 7.71 4.12 0.00 1.87 1.83 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.37 7.81 23 Q 7.54 4.94 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 6.58 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 24 L 9.03 5.26 0.00 1.69 1.65 0.98 0.63 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 25 T 8.42 4.80 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 0.56 0.00 0.00 26 L 8.91 3.61 0.00 1.72 1.54 0.75 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.19 4.34 0.00 2.89 2.84 0.00 0.00 6.95 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 28 G 7.98 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 29 I 8.08 3.78 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 0.82 0.00 0.00 30 Y 8.27 4.64 0.00 3.24 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 31 T 8.55 4.04 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 1.39 0.00 0.00 32 H 8.52 4.19 0.00 3.48 3.51 0.00 5.84 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 33 I 7.86 3.88 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 0.51 0.00 0.00 34 T 7.87 4.34 4.67 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 1.56 0.00 0.00 35 K 7.74 4.14 0.00 1.86 1.98 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.50 7.81 36 N 7.98 4.60 0.00 2.78 2.34 0.00 0.00 6.85 7.47 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 37 Y 8.22 4.75 0.00 3.37 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 38 P 0.00 4.40 0.00 2.20 2.25 0.00 3.87 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 2.15 2.02 0.00 39 Y 8.33 3.94 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 40 Y 7.61 3.79 0.00 2.45 1.43 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 41 R 7.93 4.78 0.00 2.07 1.88 0.00 3.20 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 42 T 8.67 4.12 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 1.32 0.00 0.00 43 A 8.02 4.04 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 44 D 7.92 4.62 0.00 3.04 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 45 K 8.48 3.92 0.00 1.65 1.64 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.16 7.81 46 G 7.94 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 0.00 0.00 0.00 47 W 8.27 4.17 0.00 3.80 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 48 Q 6.86 3.55 0.00 1.61 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 49 N 8.02 4.31 0.00 2.78 2.78 0.00 0.00 6.94 6.85 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 50 S 7.48 3.98 0.00 3.15 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 51 I 7.50 3.54 2.05 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 1.79 0.86 0.68 0.00 0.00 52 R 7.68 3.68 0.00 1.90 1.88 0.00 3.08 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.85 0.00 53 H 8.53 4.12 0.00 3.21 3.40 0.00 5.61 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 54 N 8.68 4.29 0.00 2.80 2.93 0.00 0.00 7.11 7.06 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 55 L 7.37 3.59 0.00 1.02 0.13 -0.61 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.41 4.38 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 57 L 7.96 4.15 0.00 1.47 1.61 0.89 1.18 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 58 N 8.18 4.19 0.00 3.29 2.61 0.00 0.00 6.93 7.33 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 59 R 8.29 4.14 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.00 60 Y 7.54 4.43 0.00 2.22 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 0.00 0.00 0.00 0.00 61 F 8.19 5.58 0.00 3.17 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 62 I 8.96 4.60 1.97 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 1.17 1.74 1.04 0.00 0.00 63 K 8.56 4.03 0.00 1.03 1.39 0.00 1.44 0.00 0.00 1.17 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.86 0.21 7.81 64 V 8.27 4.23 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 0.90 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.47 0.00 1.95 1.95 0.00 3.68 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 1.99 2.02 0.00 66 R 8.46 4.47 0.00 1.63 1.71 0.00 2.74 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 67 S 8.55 4.15 0.00 4.03 3.76 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 68 Q 8.38 4.50 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 69 E 8.45 4.14 0.00 2.02 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 2.34 2.40 0.00 70 E 7.54 4.88 0.00 1.92 1.75 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 2.08 2.08 0.00 71 P 0.00 4.60 0.00 2.16 2.12 0.00 3.78 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 1.96 1.95 0.00 72 G 7.80 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 73 K 8.06 4.20 0.00 1.81 1.73 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.64 7.81 74 G 7.52 3.48 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 0.00 75 S 8.00 4.32 0.00 3.29 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 76 F 8.55 4.96 0.00 3.13 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 77 W 9.71 5.54 0.00 3.26 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 78 R 8.96 5.12 0.00 1.93 2.04 0.00 2.77 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 79 I 8.38 4.64 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 1.48 0.70 0.87 0.00 0.00 80 D 9.21 4.25 0.00 2.90 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 81 P 0.00 4.16 0.00 2.22 2.12 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 82 A 8.12 4.02 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 83 S 7.99 4.62 0.00 3.86 4.14 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 84 E 8.15 3.82 0.00 2.19 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 2.30 2.33 0.00 85 S 8.03 4.04 0.00 3.91 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 86 K 7.92 3.87 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 87 L 7.80 3.79 0.00 1.69 1.49 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.63 3.66 2.00 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 1.68 0.73 0.94 0.00 0.00 89 E 7.86 4.07 0.00 1.95 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 2.33 2.37 0.00 90 Q 7.72 4.37 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 91 A 8.07 3.80 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 92 F 7.86 4.19 0.00 3.01 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 93 R 7.87 4.18 0.00 1.84 2.05 0.00 3.31 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 94 K 8.68 4.11 0.00 1.82 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.80 7.81 95 R 8.04 4.62 0.00 1.90 1.93 0.00 3.09 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 *96 R 8.45 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.