NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 93 S 4.3666 8.3349 116.7975 58.2227 64.0529 176.6274 94 Q 4.3879 8.9655 135.0000 53.6895 31.0099 172.8424 95 Y 4.4354 9.1346 129.0535 60.1707 39.5198 177.2439 96 W 4.2944 8.0859 119.3365 59.6166 29.1033 178.1934 97 K 3.9483 8.1784 119.1047 59.7089 31.6037 178.5881 98 E 3.9386 7.8814 118.3411 59.0767 29.3208 179.5781 99 V 3.3283 7.9062 118.5696 65.9534 31.6308 177.7906 100 A 4.0465 8.5119 120.8630 55.2338 18.1351 179.3332 101 E 3.7999 8.2846 117.6593 59.5624 29.6920 178.6989 102 Q 3.9980 7.9020 118.1327 59.4709 28.8469 179.7771 103 R 3.9609 7.9845 118.6475 59.0292 29.9894 178.8184 104 R 3.9392 8.0003 118.6738 59.5286 29.9572 178.6732 105 K 3.9981 7.9862 117.1627 59.4505 32.0809 178.8606 106 A 3.9978 7.7249 120.8130 55.2846 18.1580 179.2550 107 L 3.8970 8.0438 118.4546 58.5301 42.1320 178.3954 108 Y 4.0878 8.6532 119.6212 60.8370 38.6331 177.6019 109 E 4.0116 9.0082 119.5497 59.8437 29.6983 179.6714 110 A 4.0020 8.5681 120.6765 54.9504 18.4599 179.5328 111 L 3.8545 8.6138 118.6222 57.7845 41.6976 179.3965 112 K 3.6745 7.8905 119.5181 59.7447 32.0386 178.2303 113 E 3.9164 7.8951 119.2554 59.3289 29.5201 178.2848 114 N 4.3906 8.1770 117.1206 56.3428 38.9272 176.6462 115 E 3.8610 8.3083 120.8927 59.0783 29.8306 178.1513 116 K 3.7706 7.8901 119.7523 60.0374 32.1555 178.3991 117 L 3.9992 8.3740 119.0869 58.1974 41.2898 179.3933 118 H 4.2993 8.0177 115.3685 58.2934 28.8986 177.4720 119 K 4.0678 8.5259 122.0789 59.7252 32.1238 178.6137 120 E 3.9877 8.1693 118.7276 59.6080 29.3324 179.4660 121 I 3.7302 7.7366 119.7808 64.3630 37.0294 178.0459 122 E 4.0024 8.2707 120.1381 59.1049 29.4967 178.7994 123 Q 4.0381 7.9875 117.8560 58.7667 28.7839 178.4718 124 K 4.0947 8.2282 119.5107 59.1879 32.0367 179.2166 125 D 4.3597 8.2625 119.8992 56.9873 40.8321 178.3370 126 S 4.3318 7.9552 113.5178 60.0249 63.5498 176.0412 127 E 3.9665 8.1574 123.8194 59.1822 29.2526 178.6968 128 I 3.6989 8.0952 120.1370 64.4955 37.1622 177.5171 129 A 3.9241 8.1952 121.1987 55.5585 18.0613 179.5430 130 R 3.8386 8.1054 114.7386 59.5001 30.3771 179.1731 131 L 3.9202 7.8287 117.7431 57.8578 41.6414 179.2720 132 R 3.8759 8.1682 118.9487 60.1936 29.8866 177.6070 133 K 3.9508 8.7519 119.6952 58.6375 31.8427 178.2937 134 E 3.8093 8.8949 121.4678 59.3744 30.1782 179.0062 135 N 4.4298 8.6982 117.4120 56.4943 39.0549 176.5769 136 K 3.8628 8.3278 121.4380 59.7644 32.1189 178.0987 137 D 4.6003 7.8982 116.6116 56.0268 41.0298 176.8967 138 L 4.7213 7.9389 117.9296 53.3454 43.5694 177.9496 139 A 3.9795 8.1736 123.3376 55.5453 18.2228 180.2019 140 E 3.9615 8.1105 116.6293 59.5623 29.4964 179.5435 141 V 3.8600 7.8748 117.8333 63.5123 31.4574 178.2336 142 A 3.9567 7.7465 122.6359 55.3250 18.3802 178.8611 143 E 3.8330 7.6388 117.1320 60.0677 29.5167 178.9294 144 H 4.5191 7.6039 116.3126 58.6392 29.8585 176.8702 145 V 3.8208 7.8478 119.8573 65.4442 31.8929 177.0312 146 Q 4.1641 8.1037 118.9065 59.5499 28.4982 178.2915 147 Y 3.7812 8.2758 117.5546 58.6971 39.0794 177.5252 *149 A 4.2434 7.9118 121.5507 51.7338 20.8182 179.2164 150 E 3.8612 7.9362 114.2253 60.0686 29.1042 179.8812 151 V 3.5946 7.1259 112.7582 63.6266 31.5091 178.6094 152 I 3.6678 7.4907 118.3330 64.1482 37.2419 177.7196 153 E 4.0384 8.1577 120.1754 59.1980 29.4348 178.4720 154 R 4.0571 7.6426 115.4491 57.6822 30.0882 176.6776 155 L 4.4468 7.2285 118.0278 55.9996 42.2291 176.2907 156 S 4.5404 7.8954 113.3628 59.9257 65.4572 173.8004 157 N 4.4058 8.3646 120.7284 53.3887 36.6388 174.3638 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 93 S 8.33 4.37 0.00 3.89 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.97 4.39 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 95 Y 9.13 4.44 0.00 2.79 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 96 W 8.09 4.29 0.00 3.49 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 97 K 8.18 3.95 0.00 1.87 1.94 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 98 E 7.88 3.94 0.00 2.08 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 2.30 2.45 0.00 99 V 7.91 3.33 1.76 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 1.06 0.00 0.00 0.05 0.00 0.00 100 A 8.51 4.05 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 0.00 101 E 8.28 3.80 0.00 2.08 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 2.28 2.37 0.00 102 Q 7.90 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 103 R 7.98 3.96 0.00 1.87 2.00 0.00 3.33 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 104 R 8.00 3.94 0.00 2.09 2.05 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 105 K 7.99 4.00 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.62 7.81 106 A 7.72 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.90 0.00 1.92 1.96 0.93 0.76 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 0.00 108 Y 8.65 4.09 0.00 3.22 3.08 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 0.00 109 E 9.01 4.01 0.00 2.44 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 2.40 2.46 0.00 110 A 8.57 4.00 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 0.00 111 L 8.61 3.85 0.00 1.55 1.61 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.89 3.67 0.00 1.66 1.96 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.42 7.81 113 E 7.90 3.92 0.00 2.05 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 2.29 2.34 0.00 114 N 8.18 4.39 0.00 2.86 2.97 0.00 0.00 6.85 6.94 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 0.00 115 E 8.31 3.86 0.00 2.04 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 2.29 2.29 0.00 116 K 7.89 3.77 0.00 1.97 2.03 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.51 7.81 117 L 8.37 4.00 0.00 1.60 1.64 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.02 4.30 0.00 3.38 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.53 4.07 0.00 1.90 2.00 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 120 E 8.17 3.99 0.00 2.23 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 2.33 2.49 0.00 121 I 7.74 3.73 2.03 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 1.40 0.75 0.97 0.00 0.00 122 E 8.27 4.00 0.00 2.05 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 2.30 2.34 0.00 123 Q 7.99 4.04 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 124 K 8.23 4.09 0.00 2.02 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 125 D 8.26 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 0.00 126 S 7.96 4.33 0.00 4.02 4.11 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 0.00 127 E 8.16 3.97 0.00 2.27 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 2.30 2.39 0.00 128 I 8.10 3.70 2.04 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 1.42 0.77 0.91 0.00 0.00 129 A 8.20 3.92 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 0.00 130 R 8.11 3.84 0.00 2.10 2.04 0.00 3.13 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 131 L 7.83 3.92 0.00 2.01 1.71 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.17 3.88 0.00 2.12 2.04 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 133 K 8.75 3.95 0.00 1.87 2.01 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 134 E 8.89 3.81 0.00 1.95 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 0.00 2.33 2.37 0.00 135 N 8.70 4.43 0.00 2.87 3.04 0.00 0.00 6.88 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 0.00 136 K 8.33 3.86 0.00 2.12 1.80 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 137 D 7.90 4.60 0.00 2.87 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 0.00 138 L 7.94 4.72 0.00 1.64 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.17 3.98 1.41 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 0.00 0.00 140 E 8.11 3.96 0.00 1.99 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 2.40 2.31 0.00 141 V 7.87 3.86 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 0.89 0.00 0.00 0.95 0.00 0.00 142 A 7.75 3.96 1.41 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 0.00 0.00 143 E 7.64 3.83 0.00 2.18 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 0.00 2.34 2.41 0.00 144 H 7.60 4.52 0.00 3.22 3.55 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.85 3.82 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 0.87 0.00 0.00 1.03 0.00 0.00 146 Q 8.10 4.16 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 147 Y 8.28 3.78 0.00 3.01 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 *149 A 7.91 4.24 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 0.00 150 E 7.94 3.86 0.00 2.14 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 2.10 2.15 0.00 151 V 7.13 3.59 1.91 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 0.33 0.00 0.00 0.79 0.00 0.00 152 I 7.49 3.67 1.81 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 1.47 0.39 0.88 0.00 0.00 153 E 8.16 4.04 0.00 1.98 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 2.28 2.43 0.00 154 R 7.64 4.06 0.00 2.10 1.96 0.00 3.28 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 155 L 7.23 4.45 0.00 1.89 1.72 0.91 1.24 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 0.00 156 S 7.90 4.54 0.00 3.85 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 0.00 157 N 8.36 4.41 0.00 2.79 2.83 0.00 0.00 5.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.