#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx5 s PHE 300 N 0.00 3.18 -0.05 -0.14 0.40 -1.26 -4.81 117.98 115.30 3jx5 s PHE 300 Ca 0.00 0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 3jx5 s PHE 300 Cb 0.00 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 3jx5 s PHE 300 CO 0.00 0.42 -0.21 -0.51 0.70 0.00 0.00 175.22 175.63 3jx5 s LEU 301 N -0.71 2.33 -0.10 -0.37 1.43 -0.73 -4.93 118.68 115.60 3jx5 s LEU 301 Ca 0.11 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3jx5 s LEU 301 Cb -0.12 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3jx5 s LEU 301 CO 0.02 0.29 0.06 -0.54 0.23 0.00 0.00 176.35 176.41 3jx5 s LYS 302 N -0.43 3.19 -0.01 1.70 1.02 -1.26 0.65 119.74 124.60 3jx5 s LYS 302 Ca 0.04 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 55.82 3jx5 s LYS 302 Cb -0.12 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 3jx5 s LYS 302 CO 0.01 0.72 -0.26 0.14 -0.92 0.00 0.00 175.35 175.05 3jx5 s VAL 303 N -0.91 2.04 -0.03 3.17 -7.23 -0.37 -4.97 120.40 112.10 3jx5 s VAL 303 Ca 0.14 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 3jx5 s VAL 303 Cb -0.12 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3jx5 s VAL 303 CO 0.03 0.55 -0.25 -0.75 -0.31 0.00 0.00 175.10 174.38 3jx5 s LYS 304 N -0.67 2.26 -0.26 4.82 2.20 -1.26 -0.69 119.74 126.13 3jx5 s LYS 304 Ca 0.10 -0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 54.65 3jx5 s LYS 304 Cb -0.10 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 3jx5 s LYS 304 CO -0.01 0.52 0.42 1.21 -0.36 0.00 0.00 175.35 177.13 3jx5 s ASN 305 N -0.51 6.32 0.00 1.43 3.84 -0.11 -2.03 114.94 123.89 3jx5 s ASN 305 Ca 0.07 0.38 0.29 0.00 0.21 0.00 0.00 52.86 53.81 3jx5 s ASN 305 Cb -0.11 -2.23 1.34 0.00 -0.55 0.00 0.00 41.25 39.69 3jx5 s ASN 305 CO 0.00 -0.21 1.97 0.79 -2.79 0.00 0.00 177.10 176.87 3jx5 n TRP 306 N 5.34 0.00 0.03 0.43 7.02 0.17 -0.24 117.44 130.19 3jx5 n TRP 306 Ca -0.07 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.20 3jx5 n TRP 306 Cb 0.50 -0.42 -0.14 0.00 -2.42 0.00 0.00 31.31 28.83 3jx5 n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jx5 h GLU 307 N 0.00 0.29 -0.00 -0.99 4.81 -1.94 -3.41 114.58 113.35 3jx5 h GLU 307 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3jx5 h GLU 307 Cb 0.42 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3jx5 h GLU 307 CO 0.00 1.21 -0.36 0.25 -0.73 0.00 0.00 179.01 179.38 3jx5 n THR 308 N -3.49 0.00 -0.97 0.32 -2.24 -1.20 -5.00 114.28 101.70 3jx5 n THR 308 Ca -0.28 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3jx5 n THR 308 Cb 1.06 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 3jx5 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx5 n ASP 309 N -1.02 -5.19 -4.68 3.42 10.43 0.67 -4.97 116.55 115.20 3jx5 n ASP 309 Ca 0.02 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.96 3jx5 n ASP 309 Cb 0.14 -3.07 -0.03 0.00 1.84 0.00 0.00 41.12 40.01 3jx5 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jx5 s VAL 310 N -1.14 3.01 -0.15 2.53 1.01 -1.24 -4.78 120.40 119.64 3jx5 s VAL 310 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3jx5 s VAL 310 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3jx5 s VAL 310 CO 0.00 -0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.39 3jx5 s VAL 311 N 3.45 4.16 0.13 2.92 1.01 -1.26 -0.93 120.40 129.88 3jx5 s VAL 311 Ca 0.80 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.62 3jx5 s VAL 311 Cb -0.41 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3jx5 s VAL 311 CO 0.35 0.50 -0.26 -0.76 0.00 0.00 0.00 175.10 174.94 3jx5 s LEU 312 N 0.18 2.38 -0.21 3.92 1.43 0.13 -4.97 118.68 121.54 3jx5 s LEU 312 Ca 0.00 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3jx5 s LEU 312 Cb -0.13 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.83 3jx5 s LEU 312 CO 0.02 0.18 -0.09 -0.89 0.23 0.00 0.00 176.35 175.80 3jx5 s THR 313 N -1.09 2.90 -0.24 5.49 2.01 -1.26 -1.23 115.64 122.21 3jx5 s THR 313 Ca 0.15 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 3jx5 s THR 313 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3jx5 s THR 313 CO 0.07 0.43 0.27 -0.62 -0.69 0.00 0.00 174.62 174.08 3jx5 s ASP 314 N 1.40 6.22 -0.02 3.53 -1.08 0.21 -4.71 116.67 122.21 3jx5 s ASP 314 Ca 0.05 0.24 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 3jx5 s ASP 314 Cb -0.14 -2.16 -0.10 0.00 -1.46 0.00 0.00 42.92 39.05 3jx5 s ASP 314 CO -0.06 -0.04 0.12 0.35 0.52 0.00 0.00 175.17 176.05 3jx5 n THR 315 N 4.60 0.11 -0.00 1.71 -2.24 0.29 -1.77 114.28 116.97 3jx5 n THR 315 Ca -0.12 -0.19 0.18 0.00 -2.27 0.00 0.00 64.05 61.66 3jx5 n THR 315 Cb 0.51 0.06 0.65 0.00 -2.10 0.00 0.00 70.33 69.46 3jx5 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx5 h LEU 316 N 0.00 0.07 -2.70 3.22 5.85 -1.52 -0.51 115.31 119.71 3jx5 h LEU 316 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3jx5 h LEU 316 Cb 0.58 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3jx5 h LEU 316 CO 0.00 0.04 0.07 1.12 -0.34 0.00 0.00 178.44 179.33 3jx5 h HIS 317 N 0.07 0.00 0.00 1.25 2.07 -1.85 0.16 115.15 116.86 3jx5 h HIS 317 Ca 0.25 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.75 3jx5 h HIS 317 Cb 0.89 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.87 3jx5 h HIS 317 CO -0.00 0.00 -0.08 -0.07 -3.07 0.00 0.00 177.93 174.71 3jx5 h LEU 318 N 0.00 0.00 -2.05 6.12 3.38 -1.42 -2.51 115.31 118.83 3jx5 h LEU 318 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3jx5 h LEU 318 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3jx5 h LEU 318 CO -0.00 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.90 3jx5 n LYS 319 N -3.64 2.66 -3.18 1.13 4.76 0.57 -4.93 118.16 115.55 3jx5 n LYS 319 Ca -0.02 -1.66 -0.39 0.00 -2.87 0.00 0.00 58.31 53.37 3jx5 n LYS 319 Cb 0.19 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.66 3jx5 n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jx5 s SER 320 N -0.68 6.95 -0.04 4.39 0.15 -0.95 -4.88 113.70 118.64 3jx5 s SER 320 Ca 0.30 1.13 -0.08 0.00 0.70 0.00 0.00 55.95 58.00 3jx5 s SER 320 Cb 0.20 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 3jx5 s SER 320 CO 0.13 0.04 -0.16 0.35 1.20 0.00 0.00 173.24 174.81 3jx5 n THR 321 N 3.08 1.28 -0.70 6.45 -2.24 -1.21 -5.04 114.28 115.90 3jx5 n THR 321 Ca -0.06 0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.66 3jx5 n THR 321 Cb 0.51 -1.90 0.17 0.00 -2.10 0.00 0.00 70.33 67.01 3jx5 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jx5 s LEU 322 N -7.32 2.73 0.50 3.22 1.43 -1.26 -5.01 118.68 112.97 3jx5 s LEU 322 Ca -0.13 2.14 -0.09 0.00 -1.03 0.00 0.00 54.13 55.02 3jx5 s LEU 322 Cb 0.02 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 3jx5 s LEU 322 CO 0.19 -3.15 0.85 -1.61 0.23 0.00 0.00 176.35 172.87 3jx5 s GLU 323 N -4.65 3.64 0.03 1.70 2.02 -1.26 -4.64 118.70 115.54 3jx5 s GLU 323 Ca 0.67 0.45 0.22 0.00 0.02 0.00 0.00 54.97 56.32 3jx5 s GLU 323 Cb -0.23 -2.29 -0.24 0.00 0.10 0.00 0.00 34.13 31.47 3jx5 s GLU 323 CO 0.58 -0.26 0.65 0.25 0.02 0.00 0.00 175.26 176.50 3jx5 n THR 324 N -2.10 0.16 0.00 3.63 -2.24 -1.26 -4.90 114.28 107.56 3jx5 n THR 324 Ca 0.03 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3jx5 n THR 324 Cb 0.54 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3jx5 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jx5 n GLY 325 N 1.25 3.31 3.89 3.38 0.00 -1.26 -4.92 105.19 110.83 3jx5 n GLY 325 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3jx5 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx5 s THR 327 N -2.66 0.46 0.60 0.00 -4.23 0.43 -4.98 115.64 105.26 3jx5 s THR 327 Ca 0.50 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.44 3jx5 s THR 327 Cb -0.10 -2.31 0.44 0.00 1.34 0.00 0.00 72.50 71.86 3jx5 s THR 327 CO 0.41 0.00 2.33 -0.33 -0.54 0.00 0.00 174.62 176.49 3jx5 h GLU 328 N 1.78 0.00 0.00 3.99 3.07 -2.05 -3.08 114.58 118.28 3jx5 h GLU 328 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3jx5 h GLU 328 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3jx5 h GLU 328 CO 0.52 0.00 -1.30 0.72 -1.40 0.00 0.00 179.01 177.56 3jx5 n HIS 329 N -3.11 0.00 -3.73 4.33 8.25 -1.26 -4.98 115.22 114.73 3jx5 n HIS 329 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 3jx5 n HIS 329 Cb 0.10 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 30.89 3jx5 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx5 s ILE 330 N -2.81 -0.02 -0.24 1.59 2.07 -1.17 -5.13 121.20 115.50 3jx5 s ILE 330 Ca -0.01 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.20 3jx5 s ILE 330 Cb 0.11 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 3jx5 s ILE 330 CO 0.64 0.02 0.11 0.00 -1.91 0.00 0.00 174.94 173.80 3jx5 n MET 332 N 4.50 3.00 0.03 0.00 0.00 -1.26 -4.76 117.12 118.63 3jx5 n MET 332 Ca -0.16 -2.93 0.22 0.00 0.00 0.00 0.00 57.70 54.83 3jx5 n MET 332 Cb 0.52 -1.91 0.66 0.00 0.00 0.00 0.00 33.22 32.49 3jx5 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx5 h GLY 333 N 1.94 0.00 -2.08 3.03 0.00 -1.93 -0.53 103.07 103.50 3jx5 h GLY 333 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3jx5 h GLY 333 CO 0.31 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.71 3jx5 n SER 334 N -3.50 3.36 -4.71 0.19 3.41 -1.26 -4.83 113.62 106.29 3jx5 n SER 334 Ca 0.11 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.35 3jx5 n SER 334 Cb 0.86 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3jx5 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx5 s ILE 335 N -1.20 4.87 0.02 -1.33 -1.09 -0.21 -4.98 121.20 117.27 3jx5 s ILE 335 Ca 0.36 1.97 -0.25 0.00 -2.23 0.00 0.00 60.65 60.50 3jx5 s ILE 335 Cb 0.20 -4.28 -0.17 0.00 -1.58 0.00 0.00 42.46 36.63 3jx5 s ILE 335 CO 0.27 0.18 1.32 0.58 -1.23 0.00 0.00 174.94 176.06 3jx5 h VAL 336 N 4.74 0.81 -3.43 2.92 2.07 -1.93 -3.39 116.25 118.04 3jx5 h VAL 336 Ca -0.41 -0.58 -0.65 0.00 0.82 0.00 0.00 66.70 65.88 3jx5 h VAL 336 Cb 1.22 1.13 -0.40 0.00 -1.52 0.00 0.00 31.29 31.72 3jx5 h VAL 336 CO 0.75 0.12 -0.61 -0.76 0.02 0.00 0.00 177.57 177.09 3jx5 s LEU 337 N -9.57 4.48 0.00 2.57 1.43 -1.26 -5.16 118.68 111.17 3jx5 s LEU 337 Ca -0.14 -2.90 0.29 0.00 -1.03 0.00 0.00 54.13 50.35 3jx5 s LEU 337 Cb 0.03 -1.67 1.23 0.00 0.03 0.00 0.00 46.19 45.81 3jx5 s LEU 337 CO 0.58 -0.27 1.86 -0.81 0.23 0.00 0.00 176.35 177.94 3jx5 n PRO 338 N 3.29 0.83 0.00 1.29 -0.05 -1.26 -5.21 135.00 133.88 3jx5 n PRO 338 Ca 0.05 -0.31 0.00 0.00 -0.05 0.00 0.00 63.50 63.19 3jx5 n PRO 338 Cb 0.34 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.30 3jx5 n PRO 338 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 175.50 177.00 3jx5 n VAL 348 N -0.81 0.00 -4.23 0.52 3.14 -1.26 -5.04 118.33 110.65 3jx5 n VAL 348 Ca 0.16 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.26 3jx5 n VAL 348 Cb 0.28 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.97 3jx5 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3jx5 s ARG 349 N 0.00 2.27 0.26 1.45 0.52 -1.26 -5.10 118.95 117.09 3jx5 s ARG 349 Ca 0.00 -1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 54.01 3jx5 s ARG 349 Cb 0.00 -2.31 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 3jx5 s ARG 349 CO 0.00 0.47 0.57 0.99 0.02 0.00 0.00 175.30 177.35 3jx5 s THR 350 N -1.59 4.95 0.28 0.02 2.01 -1.26 -5.00 115.64 115.05 3jx5 s THR 350 Ca 0.25 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.63 3jx5 s THR 350 Cb -0.10 -3.66 0.27 0.00 0.01 0.00 0.00 72.50 69.02 3jx5 s THR 350 CO 0.17 -0.18 1.77 0.11 -0.69 0.00 0.00 174.62 175.80 3jx5 h LYS 351 N 2.19 0.69 -0.10 4.92 1.57 -1.95 -1.47 116.57 122.41 3jx5 h LYS 351 Ca -0.47 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3jx5 h LYS 351 Cb 1.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3jx5 h LYS 351 CO 0.68 0.45 -0.08 0.22 -0.57 0.00 0.00 179.45 180.15 3jx5 h ASP 352 N 0.71 -0.29 0.65 0.86 3.58 -2.00 -2.61 116.42 117.33 3jx5 h ASP 352 Ca 0.51 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.92 3jx5 h ASP 352 Cb 0.72 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 3jx5 h ASP 352 CO -0.36 -0.05 -0.36 0.06 -2.88 0.00 0.00 179.24 175.65 3jx5 h GLN 353 N -0.03 0.00 -0.58 0.28 3.07 -1.93 -3.35 115.11 112.57 3jx5 h GLN 353 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.68 3jx5 h GLN 353 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 3jx5 h GLN 353 CO -0.11 0.36 0.05 1.25 0.09 0.00 0.00 178.83 180.47 3jx5 h LEU 354 N 0.00 0.96 -0.48 0.06 5.85 -0.88 -3.01 115.31 117.81 3jx5 h LEU 354 Ca -0.00 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.29 3jx5 h LEU 354 Cb 0.78 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3jx5 h LEU 354 CO 0.05 1.00 -0.27 0.15 -0.34 0.00 0.00 178.44 179.03 3jx5 h PHE 355 N 0.88 1.13 -0.69 1.25 3.57 -1.66 -0.94 116.94 120.48 3jx5 h PHE 355 Ca 0.17 -0.29 0.14 0.00 3.53 0.00 0.00 57.97 61.51 3jx5 h PHE 355 Cb 0.48 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.87 3jx5 h PHE 355 CO 0.04 1.12 0.20 -1.35 -2.23 0.00 0.00 178.31 176.08 3jx5 h PRO 356 N 0.82 0.31 -0.55 6.41 0.11 -1.75 0.14 132.00 137.50 3jx5 h PRO 356 Ca 0.10 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 3jx5 h PRO 356 Cb 0.85 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 3jx5 h PRO 356 CO 0.08 0.21 0.00 -0.07 -0.21 0.00 0.00 178.00 178.01 3jx5 h LEU 357 N 0.32 0.90 -0.05 2.35 3.38 -1.36 -0.09 115.31 120.77 3jx5 h LEU 357 Ca 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3jx5 h LEU 357 Cb 0.60 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jx5 h LEU 357 CO -0.44 0.96 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 3jx5 h ALA 358 N 1.13 0.07 -0.39 1.53 0.00 -0.64 -2.22 119.26 118.74 3jx5 h ALA 358 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jx5 h ALA 358 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3jx5 h ALA 358 CO 0.02 -0.23 0.23 -0.22 0.00 0.00 0.00 179.25 179.05 3jx5 h LYS 359 N -0.25 0.45 0.07 0.00 3.64 -0.60 0.94 116.57 120.82 3jx5 h LYS 359 Ca 0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3jx5 h LYS 359 Cb 0.39 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3jx5 h LYS 359 CO 0.00 0.30 -0.27 1.49 -2.27 0.00 0.00 179.45 178.71 3jx5 h GLU 360 N 0.47 -0.43 -0.47 1.90 4.81 -1.00 0.18 114.58 120.03 3jx5 h GLU 360 Ca 0.15 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3jx5 h GLU 360 Cb 0.00 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3jx5 h GLU 360 CO -0.07 -0.29 0.29 0.35 -0.73 0.00 0.00 179.01 178.56 3jx5 h PHE 361 N -0.45 0.62 -0.18 0.92 3.57 -0.93 -1.03 116.94 119.46 3jx5 h PHE 361 Ca 0.04 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3jx5 h PHE 361 Cb 0.50 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3jx5 h PHE 361 CO -0.27 0.43 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.91 3jx5 h LEU 362 N 0.63 0.33 -0.43 0.59 3.38 -0.60 0.26 115.31 119.47 3jx5 h LEU 362 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3jx5 h LEU 362 Cb -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3jx5 h LEU 362 CO -0.03 0.60 0.24 0.44 0.09 0.00 0.00 178.44 179.77 3jx5 h ASP 363 N 0.30 0.53 0.59 -0.43 3.45 -0.44 -0.65 116.42 119.76 3jx5 h ASP 363 Ca 0.04 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 3jx5 h ASP 363 Cb 0.62 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3jx5 h ASP 363 CO 0.04 0.46 -0.29 1.56 -1.57 0.00 0.00 179.24 179.44 3jx5 h GLN 364 N 0.56 -0.78 -0.41 3.56 4.20 -0.25 -1.79 115.11 120.20 3jx5 h GLN 364 Ca 0.15 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.00 3jx5 h GLN 364 Cb 0.05 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.92 3jx5 h GLN 364 CO -0.02 -0.52 -0.18 -0.92 -0.67 0.00 0.00 178.83 176.52 3jx5 h TYR 365 N -0.81 -0.43 0.00 2.96 3.20 -0.52 -2.36 116.97 119.01 3jx5 h TYR 365 Ca -0.08 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3jx5 h TYR 365 Cb 0.62 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3jx5 h TYR 365 CO -0.04 -0.26 -0.57 1.88 -1.64 0.00 0.00 178.16 177.53 3jx5 h TYR 366 N -0.10 0.00 -0.70 -3.82 -1.99 -1.06 -2.65 116.97 106.66 3jx5 h TYR 366 Ca 0.20 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.98 3jx5 h TYR 366 Cb 0.41 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.08 3jx5 h TYR 366 CO -0.43 0.57 0.41 0.77 -0.00 0.00 0.00 178.16 179.49 3jx5 h SER 367 N 0.00 0.63 -0.43 3.88 0.02 -0.93 0.28 113.55 117.00 3jx5 h SER 367 Ca -0.01 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 3jx5 h SER 367 Cb 1.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3jx5 h SER 367 CO 0.07 0.42 -0.31 0.77 -1.14 0.00 0.00 176.83 176.64 3jx5 h SER 368 N 0.77 1.01 -0.04 3.07 4.64 -1.08 -1.90 113.55 120.03 3jx5 h SER 368 Ca 0.30 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3jx5 h SER 368 Cb 0.14 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3jx5 h SER 368 CO -0.16 1.23 0.00 2.30 -0.87 0.00 0.00 176.83 179.33 3jx5 n ILE 369 N -4.09 0.05 -3.63 0.95 -5.35 -1.12 -4.92 119.36 101.25 3jx5 n ILE 369 Ca -0.01 -0.05 -0.24 0.00 -0.27 0.00 0.00 62.75 62.18 3jx5 n ILE 369 Cb 0.51 -0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.47 3jx5 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx5 n LYS 370 N -0.42 -7.21 -0.08 6.28 5.02 -0.72 -4.89 118.16 116.14 3jx5 n LYS 370 Ca 0.03 0.78 0.03 0.00 -2.02 0.00 0.00 58.31 57.13 3jx5 n LYS 370 Cb 0.04 -5.78 0.04 0.00 -0.02 0.00 0.00 35.03 29.31 3jx5 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx5 n ARG 371 N -4.78 1.67 -1.68 1.97 5.12 0.93 -5.03 116.66 114.86 3jx5 n ARG 371 Ca -0.05 -1.63 -0.43 0.00 -1.93 0.00 0.00 57.85 53.81 3jx5 n ARG 371 Cb 0.58 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.82 3jx5 n ARG 371 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jx5 n PHE 372 N -0.66 2.56 -0.47 -1.55 7.35 -0.91 -1.42 117.46 122.35 3jx5 n PHE 372 Ca 0.05 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 3jx5 n PHE 372 Cb 0.46 -2.72 0.00 0.00 0.35 0.00 0.00 39.48 37.57 3jx5 n PHE 372 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3jx5 n GLY 373 N 4.23 1.32 3.72 7.13 0.00 -1.26 -5.01 105.19 115.33 3jx5 n GLY 373 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3jx5 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx5 s SER 374 N -3.16 4.01 0.24 1.61 1.04 -0.51 -4.76 113.70 112.17 3jx5 s SER 374 Ca 0.00 2.17 -0.12 0.00 0.48 0.00 0.00 55.95 58.49 3jx5 s SER 374 Cb 0.00 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.87 3jx5 s SER 374 CO 0.00 -2.37 1.60 0.50 0.98 0.00 0.00 173.24 173.95 3jx5 h LYS 375 N -0.83 -0.00 0.00 4.02 3.64 -1.96 -0.84 116.57 120.60 3jx5 h LYS 375 Ca -0.46 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 3jx5 h LYS 375 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3jx5 h LYS 375 CO 0.48 -0.00 -0.19 0.00 -2.27 0.00 0.00 179.45 177.47 3jx5 h ALA 376 N 1.76 1.52 0.02 5.00 0.00 -1.91 0.27 119.26 125.92 3jx5 h ALA 376 Ca 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3jx5 h ALA 376 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3jx5 h ALA 376 CO -0.79 0.24 -0.01 1.25 0.00 0.00 0.00 179.25 179.94 3jx5 h HIS 377 N 0.00 -0.02 -0.28 0.00 -0.00 -1.54 -2.86 115.15 110.44 3jx5 h HIS 377 Ca -0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3jx5 h HIS 377 Cb 0.38 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 3jx5 h HIS 377 CO 0.00 0.44 0.10 0.52 -0.00 0.00 0.00 177.93 178.99 3jx5 h MET 378 N -0.50 0.22 -0.91 5.26 2.07 -0.67 -2.02 114.93 118.38 3jx5 h MET 378 Ca -0.00 -0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.71 3jx5 h MET 378 Cb 0.48 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.09 3jx5 h MET 378 CO 0.00 0.15 0.59 -0.44 1.07 0.00 0.00 176.91 178.28 3jx5 h ASP 379 N 0.23 0.83 -0.26 1.22 5.19 -1.06 -1.58 116.42 120.98 3jx5 h ASP 379 Ca 0.12 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.39 3jx5 h ASP 379 Cb 0.09 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3jx5 h ASP 379 CO -0.12 0.48 -0.49 -0.09 -3.12 0.00 0.00 179.24 175.90 3jx5 h ARG 380 N 0.91 0.84 0.13 3.56 9.65 -1.21 -1.40 114.38 126.86 3jx5 h ARG 380 Ca 0.43 -0.50 0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3jx5 h ARG 380 Cb 0.41 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 3jx5 h ARG 380 CO -0.19 1.13 -0.16 -0.07 2.80 0.00 0.00 179.97 183.49 3jx5 h LEU 381 N 0.66 -0.43 -0.86 3.80 3.38 -0.84 -0.46 115.31 120.56 3jx5 h LEU 381 Ca 0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3jx5 h LEU 381 Cb 1.08 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 3jx5 h LEU 381 CO 0.11 -0.24 0.54 -0.08 0.09 0.00 0.00 178.44 178.86 3jx5 h GLU 382 N -0.33 0.98 -0.34 1.13 4.81 -1.27 0.21 114.58 119.77 3jx5 h GLU 382 Ca 0.01 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 3jx5 h GLU 382 Cb 0.33 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3jx5 h GLU 382 CO -0.06 0.65 -0.40 1.49 -0.73 0.00 0.00 179.01 179.96 3jx5 h GLU 383 N 1.01 0.88 -0.22 1.92 4.81 -1.09 -1.00 114.58 120.89 3jx5 h GLU 383 Ca 0.36 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3jx5 h GLU 383 Cb 0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3jx5 h GLU 383 CO -0.15 1.13 0.07 0.28 -0.73 0.00 0.00 179.01 179.61 3jx5 h VAL 384 N 0.67 1.19 -0.62 0.32 2.07 -0.90 -1.61 116.25 117.37 3jx5 h VAL 384 Ca 0.05 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.06 3jx5 h VAL 384 Cb 1.00 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 31.84 3jx5 h VAL 384 CO 0.10 0.19 -0.44 -1.13 0.02 0.00 0.00 177.57 176.31 3jx5 h ASN 385 N 0.18 -1.52 -0.55 0.57 -0.00 -0.46 -0.14 115.58 113.67 3jx5 h ASN 385 Ca 0.07 0.25 -0.11 0.00 -0.00 0.00 0.00 56.30 56.52 3jx5 h ASN 385 Cb 0.23 0.70 -0.02 0.00 -0.00 0.00 0.00 38.32 39.23 3jx5 h ASN 385 CO -0.00 -0.33 -0.07 0.11 -0.00 0.00 0.00 177.43 177.14 3jx5 h LYS 386 N -0.20 1.03 -0.72 6.67 1.57 -1.12 -2.54 116.57 121.25 3jx5 h LYS 386 Ca 0.19 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3jx5 h LYS 386 Cb 0.56 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3jx5 h LYS 386 CO -0.72 1.05 0.24 1.49 -0.57 0.00 0.00 179.45 180.94 3jx5 h GLU 387 N 0.92 1.11 0.29 3.15 4.81 -0.77 -0.55 114.58 123.54 3jx5 h GLU 387 Ca 0.15 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3jx5 h GLU 387 Cb 0.63 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3jx5 h GLU 387 CO 0.04 0.95 -0.16 0.82 -0.73 0.00 0.00 179.01 179.93 3jx5 h ILE 388 N 1.06 0.67 -0.29 2.32 2.04 -0.72 0.18 117.51 122.78 3jx5 h ILE 388 Ca 0.23 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.02 3jx5 h ILE 388 Cb 0.29 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3jx5 h ILE 388 CO -0.01 0.00 -0.14 1.05 0.00 0.00 0.00 178.15 179.05 3jx5 h GLU 389 N -0.42 0.51 -0.09 2.37 4.11 -1.32 1.77 114.58 121.50 3jx5 h GLU 389 Ca -0.03 -0.15 -0.22 0.00 0.07 0.00 0.00 59.36 59.02 3jx5 h GLU 389 Cb 0.33 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3jx5 h GLU 389 CO 0.05 0.64 -0.83 1.03 0.07 0.00 0.00 179.01 179.97 3jx5 h SER 390 N 0.46 0.76 0.00 3.06 0.87 -1.03 -3.40 113.55 114.28 3jx5 h SER 390 Ca 0.08 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3jx5 h SER 390 Cb 0.53 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3jx5 h SER 390 CO 0.03 1.31 -0.25 0.35 -0.53 0.00 0.00 176.83 177.75 3jx5 n THR 391 N -3.87 0.00 -0.97 2.23 -2.24 0.64 -5.03 114.28 105.04 3jx5 n THR 391 Ca -0.07 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3jx5 n THR 391 Cb 0.77 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3jx5 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jx5 n SER 392 N -0.95 -1.45 -1.74 3.42 7.64 0.60 -4.96 113.62 116.18 3jx5 n SER 392 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3jx5 n SER 392 Cb 0.00 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 3jx5 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jx5 n THR 393 N -2.40 0.00 -3.95 0.44 5.66 -1.25 -4.77 114.28 108.01 3jx5 n THR 393 Ca 0.00 -0.72 -0.09 0.00 -3.05 0.00 0.00 64.05 60.20 3jx5 n THR 393 Cb 0.02 0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 69.17 3jx5 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx5 s TYR 394 N -3.60 0.20 -0.13 1.09 -0.85 -1.26 -2.92 117.35 109.88 3jx5 s TYR 394 Ca 0.12 -0.61 -0.01 0.00 -0.52 0.00 0.00 57.07 56.05 3jx5 s TYR 394 Cb 0.00 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 3jx5 s TYR 394 CO 0.08 -1.12 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.23 3jx5 s GLN 395 N -3.83 3.39 0.21 -3.49 -1.52 -1.26 -5.05 119.66 108.10 3jx5 s GLN 395 Ca 0.19 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 3jx5 s GLN 395 Cb -0.03 -2.68 -0.08 0.00 -0.22 0.00 0.00 33.01 30.00 3jx5 s GLN 395 CO 0.09 0.25 1.07 -0.51 -0.25 0.00 0.00 175.29 175.94 3jx5 s LEU 396 N 0.27 4.53 0.75 2.90 1.43 -1.26 -5.03 118.68 122.26 3jx5 s LEU 396 Ca -0.08 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 3jx5 s LEU 396 Cb -0.15 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.51 3jx5 s LEU 396 CO 0.05 -0.14 1.15 -0.54 0.23 0.00 0.00 176.35 177.10 3jx5 s LYS 397 N -0.72 2.17 0.20 1.70 -0.14 -1.26 -4.86 119.74 116.83 3jx5 s LYS 397 Ca 0.47 1.53 -0.18 0.00 -1.36 0.00 0.00 55.97 56.43 3jx5 s LYS 397 Cb -0.29 -1.86 0.18 0.00 -1.68 0.00 0.00 37.83 34.18 3jx5 s LYS 397 CO 0.36 -1.77 1.60 -0.44 -0.76 0.00 0.00 175.35 174.34 3jx5 h ASP 398 N -0.58 -0.95 0.02 2.83 3.32 -1.99 -0.98 116.42 118.09 3jx5 h ASP 398 Ca -0.46 0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 3jx5 h ASP 398 Cb 1.27 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 3jx5 h ASP 398 CO 0.50 -0.28 -0.11 0.71 -1.72 0.00 0.00 179.24 178.35 3jx5 h THR 399 N -0.10 1.15 -0.01 0.35 1.35 -2.00 -2.15 112.91 111.51 3jx5 h THR 399 Ca 0.27 -0.67 -0.17 0.00 -0.55 0.00 0.00 66.41 65.29 3jx5 h THR 399 Cb 0.53 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3jx5 h THR 399 CO -0.68 0.21 -0.77 -0.33 -0.25 0.00 0.00 175.52 173.69 3jx5 h GLU 400 N 0.19 0.08 0.31 4.72 5.08 -1.81 -2.86 114.58 120.29 3jx5 h GLU 400 Ca 0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3jx5 h GLU 400 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3jx5 h GLU 400 CO 0.02 0.81 -0.15 1.25 -1.00 0.00 0.00 179.01 179.94 3jx5 h LEU 401 N 0.05 -0.35 -0.02 1.33 5.85 -0.55 0.20 115.31 121.82 3jx5 h LEU 401 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jx5 h LEU 401 Cb 1.36 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 3jx5 h LEU 401 CO 0.11 -0.11 -0.01 -0.38 -0.34 0.00 0.00 178.44 177.71 3jx5 n ILE 402 N -3.88 -0.01 -0.22 4.05 5.41 -0.99 -0.21 119.36 123.50 3jx5 n ILE 402 Ca -0.05 0.75 0.03 0.00 1.00 0.00 0.00 62.75 64.48 3jx5 n ILE 402 Cb 0.16 -0.99 0.13 0.00 -0.71 0.00 0.00 39.64 38.23 3jx5 n ILE 402 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3jx5 h TYR 403 N 0.00 0.07 -0.26 1.39 3.20 -1.57 0.79 116.97 120.59 3jx5 h TYR 403 Ca 0.00 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.95 3jx5 h TYR 403 Cb 0.01 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3jx5 h TYR 403 CO -0.46 -0.14 0.05 0.78 -1.64 0.00 0.00 178.16 176.75 3jx5 h GLY 404 N 0.17 0.29 1.06 1.82 0.00 0.96 -2.03 103.07 105.35 3jx5 h GLY 404 Ca 0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 3jx5 h GLY 404 CO -0.53 -0.01 0.17 0.00 0.00 0.00 0.00 176.54 176.18 3jx5 h ALA 405 N 1.19 0.94 -0.40 3.60 0.00 0.58 -1.56 119.26 123.61 3jx5 h ALA 405 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3jx5 h ALA 405 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3jx5 h ALA 405 CO -0.16 0.66 -0.11 0.87 0.00 0.00 0.00 179.25 180.51 3jx5 h LYS 406 N 1.08 0.70 0.00 0.00 1.57 -0.74 -2.96 116.57 116.22 3jx5 h LYS 406 Ca 0.22 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3jx5 h LYS 406 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3jx5 h LYS 406 CO 0.00 0.80 -0.70 0.45 -0.57 0.00 0.00 179.45 179.43 3jx5 h HIS 407 N 0.64 0.00 -0.77 -1.35 3.86 -0.88 -1.54 115.15 115.12 3jx5 h HIS 407 Ca 0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3jx5 h HIS 407 Cb 0.57 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 3jx5 h HIS 407 CO 0.03 0.70 0.41 0.00 0.86 0.00 0.00 177.93 179.92 3jx5 h ALA 408 N 1.30 0.98 -0.03 2.45 0.00 -1.15 -0.11 119.26 122.70 3jx5 h ALA 408 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3jx5 h ALA 408 Cb 1.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3jx5 h ALA 408 CO 0.09 0.51 -0.00 2.35 0.00 0.00 0.00 179.25 182.20 3jx5 h TRP 409 N 1.06 0.05 -0.82 0.00 7.01 -1.34 -2.13 115.95 119.78 3jx5 h TRP 409 Ca 0.27 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.42 3jx5 h TRP 409 Cb 0.06 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 3jx5 h TRP 409 CO 0.00 0.36 0.54 -0.09 -2.79 0.00 0.00 178.44 176.47 3jx5 h ARG 410 N -0.28 0.45 -0.23 2.65 2.43 -1.07 0.19 114.38 118.53 3jx5 h ARG 410 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jx5 h ARG 410 Cb 0.34 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3jx5 h ARG 410 CO 0.00 0.30 0.00 0.09 -1.51 0.00 0.00 179.97 178.85 3jx5 n ASN 411 N -4.50 2.20 -4.56 -3.80 3.02 -0.07 -4.84 115.26 102.71 3jx5 n ASN 411 Ca 0.16 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.50 3jx5 n ASN 411 Cb 0.56 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 3jx5 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx5 s ALA 412 N -1.71 2.68 -0.38 5.41 0.00 0.66 -4.71 121.76 123.71 3jx5 s ALA 412 Ca 0.34 -1.10 0.26 0.00 0.00 0.00 0.00 51.96 51.46 3jx5 s ALA 412 Cb 0.19 -4.23 0.78 0.00 0.00 0.00 0.00 23.12 19.86 3jx5 s ALA 412 CO 0.28 -3.29 1.75 0.66 0.00 0.00 0.00 175.76 175.16 3jx5 h SER 413 N 10.97 0.00 -0.06 0.00 4.64 -1.87 -2.87 113.55 124.37 3jx5 h SER 413 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3jx5 h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3jx5 h SER 413 CO 1.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.75 3jx5 n ARG 414 N -2.80 1.42 -3.83 4.77 1.74 -1.26 -0.75 116.66 115.95 3jx5 n ARG 414 Ca 0.03 -0.62 -0.36 0.00 -0.77 0.00 0.00 57.85 56.13 3jx5 n ARG 414 Cb 0.42 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 3jx5 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx5 n VAL 416 N 4.78 0.00 -0.09 0.00 3.14 -1.26 -3.99 118.33 120.91 3jx5 n VAL 416 Ca -0.17 -0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.26 3jx5 n VAL 416 Cb 0.51 -0.22 0.28 0.00 -1.06 0.00 0.00 33.84 33.36 3jx5 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx5 n GLY 417 N 1.30 2.07 0.00 7.55 0.00 -1.26 -4.54 105.19 110.31 3jx5 n GLY 417 Ca 0.14 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.56 3jx5 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx5 n ARG 418 N 1.07 0.03 0.09 1.61 1.74 -1.26 -2.47 116.66 117.46 3jx5 n ARG 418 Ca 0.21 0.21 0.19 0.00 -0.77 0.00 0.00 57.85 57.68 3jx5 n ARG 418 Cb 0.65 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.33 3jx5 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx5 h ILE 419 N 0.00 0.57 -0.01 0.55 2.10 -1.89 -0.20 117.51 118.64 3jx5 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx5 h ILE 419 Cb 0.27 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 3jx5 h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jx5 n GLN 420 N -4.05 1.39 -0.32 2.19 1.13 -1.03 -4.63 117.38 112.06 3jx5 n GLN 420 Ca 0.07 -0.56 0.11 0.00 -1.94 0.00 0.00 57.00 54.67 3jx5 n GLN 420 Cb 0.52 -1.49 0.28 0.00 0.11 0.00 0.00 30.24 29.66 3jx5 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx5 h TRP 421 N 1.37 0.85 0.00 1.08 5.08 -1.24 -1.14 115.95 121.95 3jx5 h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3jx5 h TRP 421 Cb 0.29 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3jx5 h TRP 421 CO 0.00 0.14 0.00 -1.13 -1.28 0.00 0.00 178.44 176.17 3jx5 n SER 422 N -4.88 0.00 -0.48 0.11 3.41 -1.26 -3.63 113.62 106.89 3jx5 n SER 422 Ca 0.20 -0.54 0.06 0.00 -0.26 0.00 0.00 58.87 58.34 3jx5 n SER 422 Cb 0.54 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.52 3jx5 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jx5 n LYS 423 N -1.01 0.86 -1.71 4.33 5.02 -0.43 -5.00 118.16 120.22 3jx5 n LYS 423 Ca 0.13 -1.19 -0.63 0.00 -2.02 0.00 0.00 58.31 54.60 3jx5 n LYS 423 Cb 0.07 -1.23 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 3jx5 n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3jx5 n LEU 424 N 0.62 1.49 -4.62 -0.35 7.94 -1.24 -4.79 117.00 116.05 3jx5 n LEU 424 Ca 0.07 1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 55.69 3jx5 n LEU 424 Cb 0.31 -0.98 -0.03 0.00 0.53 0.00 0.00 43.42 43.25 3jx5 n LEU 424 CO 0.09 -0.82 0.81 -1.58 -1.11 0.00 0.00 177.39 174.78 3jx5 s GLN 425 N 2.80 3.96 -0.23 1.96 2.00 -0.95 -4.97 119.66 124.24 3jx5 s GLN 425 Ca 1.01 0.79 -0.10 0.00 -2.00 0.00 0.00 55.36 55.06 3jx5 s GLN 425 Cb -1.32 -3.76 -0.05 0.00 0.80 0.00 0.00 33.01 28.68 3jx5 s GLN 425 CO 0.73 -0.87 0.15 0.08 -0.50 0.00 0.00 175.29 174.88 3jx5 s VAL 426 N 3.44 5.37 -0.17 1.34 1.01 -1.26 -0.52 120.40 129.61 3jx5 s VAL 426 Ca 0.40 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 3jx5 s VAL 426 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3jx5 s VAL 426 CO 0.16 0.38 0.04 -0.36 0.00 0.00 0.00 175.10 175.32 3jx5 s PHE 427 N 0.82 3.22 -0.41 5.22 0.08 1.00 -4.95 117.98 122.96 3jx5 s PHE 427 Ca 0.08 0.03 -0.21 0.00 0.12 0.00 0.00 56.93 56.95 3jx5 s PHE 427 Cb -0.13 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3jx5 s PHE 427 CO 0.02 0.17 0.67 0.34 -0.10 0.00 0.00 175.22 176.32 3jx5 s ASP 428 N 0.23 6.38 -0.25 1.36 3.68 -1.26 -0.56 116.67 126.23 3jx5 s ASP 428 Ca 0.03 -0.13 0.10 0.00 2.13 0.00 0.00 52.55 54.67 3jx5 s ASP 428 Cb -0.13 -2.34 0.47 0.00 -1.45 0.00 0.00 42.92 39.48 3jx5 s ASP 428 CO 0.01 -0.75 1.35 0.00 0.13 0.00 0.00 175.17 175.91 3jx5 n ALA 429 N 6.29 4.01 0.67 3.66 0.00 0.18 -4.68 120.51 130.64 3jx5 n ALA 429 Ca -0.01 -3.21 0.09 0.00 0.00 0.00 0.00 53.44 50.31 3jx5 n ALA 429 Cb 0.48 -0.56 0.41 0.00 0.00 0.00 0.00 19.45 19.78 3jx5 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx5 n ARG 430 N -1.12 0.02 0.00 0.00 1.74 -1.01 -1.67 116.66 114.61 3jx5 n ARG 430 Ca 0.27 0.17 0.15 0.00 -0.77 0.00 0.00 57.85 57.66 3jx5 n ARG 430 Cb 0.88 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 31.48 3jx5 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx5 n ASP 431 N -1.49 0.72 -4.76 0.55 5.68 -1.26 -4.56 116.55 111.42 3jx5 n ASP 431 Ca 0.05 -1.02 -0.40 0.00 -0.50 0.00 0.00 54.79 52.92 3jx5 n ASP 431 Cb 0.22 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 3jx5 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx5 n THR 433 N 0.93 0.00 -4.24 0.00 -2.24 -1.26 -4.78 114.28 102.69 3jx5 n THR 433 Ca -0.00 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 3jx5 n THR 433 Cb 0.43 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 3jx5 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx5 s THR 434 N -1.05 0.49 0.16 4.28 -4.23 -1.26 -4.63 115.64 109.39 3jx5 s THR 434 Ca 0.00 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.41 3jx5 s THR 434 Cb 0.00 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.63 3jx5 s THR 434 CO 0.00 -0.33 1.69 0.00 -0.54 0.00 0.00 174.62 175.44 3jx5 h ALA 435 N 2.65 0.69 -0.84 3.99 0.00 -1.90 0.25 119.26 124.08 3jx5 h ALA 435 Ca -0.37 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3jx5 h ALA 435 Cb 1.22 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3jx5 h ALA 435 CO 0.61 0.34 0.50 0.45 0.00 0.00 0.00 179.25 181.15 3jx5 h HIS 436 N 0.72 0.92 -0.94 0.00 -0.00 -1.97 0.12 115.15 114.00 3jx5 h HIS 436 Ca 0.17 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 3jx5 h HIS 436 Cb 0.26 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.34 3jx5 h HIS 436 CO 0.01 0.41 0.62 0.78 -0.00 0.00 0.00 177.93 179.75 3jx5 h GLY 437 N 0.86 1.32 0.82 2.45 0.00 -1.53 -2.72 103.07 104.28 3jx5 h GLY 437 Ca 0.39 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3jx5 h GLY 437 CO -0.22 0.47 -0.00 -0.33 0.00 0.00 0.00 176.54 176.45 3jx5 h MET 438 N 1.25 0.35 -0.87 4.80 0.00 0.18 -2.40 114.93 118.25 3jx5 h MET 438 Ca 0.35 -0.11 0.17 0.00 0.00 0.00 0.00 59.70 60.11 3jx5 h MET 438 Cb -0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 31.60 31.34 3jx5 h MET 438 CO -0.08 0.55 0.43 0.35 0.00 0.00 0.00 176.91 178.17 3jx5 h PHE 439 N 0.11 0.75 -0.33 -0.22 -0.00 -0.65 -1.07 116.94 115.52 3jx5 h PHE 439 Ca 0.06 0.04 -0.16 0.00 -0.00 0.00 0.00 57.97 57.91 3jx5 h PHE 439 Cb 0.40 -0.20 -0.00 0.00 -0.00 0.00 0.00 35.95 36.15 3jx5 h PHE 439 CO 0.04 0.11 -0.40 -0.97 -0.00 0.00 0.00 178.31 177.08 3jx5 h ASN 440 N 0.56 0.92 -0.74 0.41 -1.24 -1.16 -0.18 115.58 114.15 3jx5 h ASN 440 Ca 0.50 -0.49 0.02 0.00 0.71 0.00 0.00 56.30 57.05 3jx5 h ASN 440 Cb 0.80 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.55 3jx5 h ASN 440 CO -0.42 1.23 0.49 1.88 -1.29 0.00 0.00 177.43 179.32 3jx5 h TYR 441 N 0.64 0.89 0.02 0.67 -1.99 -0.93 -1.73 116.97 114.55 3jx5 h TYR 441 Ca 0.04 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3jx5 h TYR 441 Cb 1.00 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.43 3jx5 h TYR 441 CO 0.07 0.54 -0.01 0.82 -0.00 0.00 0.00 178.16 179.58 3jx5 h ILE 442 N 0.94 1.43 -0.82 -2.88 2.04 -0.81 -1.27 117.51 116.15 3jx5 h ILE 442 Ca 0.29 -1.78 0.16 0.00 1.00 0.00 0.00 64.86 64.53 3jx5 h ILE 442 Cb -0.01 2.57 -0.15 0.00 -0.74 0.00 0.00 36.82 38.48 3jx5 h ILE 442 CO -0.07 0.43 -0.22 0.00 0.00 0.00 0.00 178.15 178.29 3jx5 h ASN 444 N -0.01 0.64 0.55 0.00 2.35 -1.24 -1.16 115.58 116.72 3jx5 h ASN 444 Ca 0.39 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3jx5 h ASN 444 Cb 0.60 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3jx5 h ASN 444 CO -0.84 0.73 -0.40 -0.74 -1.65 0.00 0.00 177.43 174.53 3jx5 h HIS 445 N 0.63 -1.06 -0.87 1.19 2.76 0.24 -0.75 115.15 117.29 3jx5 h HIS 445 Ca 0.12 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.39 3jx5 h HIS 445 Cb 0.44 0.39 -0.06 0.00 1.55 0.00 0.00 27.41 29.73 3jx5 h HIS 445 CO 0.02 -0.58 0.56 0.28 -1.30 0.00 0.00 177.93 176.91 3jx5 h VAL 446 N -0.92 0.94 -0.11 5.26 2.07 0.04 -0.26 116.25 123.27 3jx5 h VAL 446 Ca -0.06 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3jx5 h VAL 446 Cb 0.77 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3jx5 h VAL 446 CO 0.03 0.15 -0.28 0.50 0.02 0.00 0.00 177.57 177.99 3jx5 h LYS 447 N 0.81 0.38 -0.23 1.57 3.64 -1.09 -1.94 116.57 119.70 3jx5 h LYS 447 Ca 0.41 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3jx5 h LYS 447 Cb 0.47 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3jx5 h LYS 447 CO -0.17 0.88 0.07 -0.92 -2.27 0.00 0.00 179.45 177.03 3jx5 h TYR 448 N -0.06 0.38 -0.26 1.91 3.20 -0.45 -2.06 116.97 119.64 3jx5 h TYR 448 Ca -0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 3jx5 h TYR 448 Cb 0.89 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3jx5 h TYR 448 CO 0.11 0.44 -0.02 0.00 -1.64 0.00 0.00 178.16 177.05 3jx5 h ALA 449 N 0.89 0.35 -0.27 1.82 0.00 -1.12 -3.12 119.26 117.82 3jx5 h ALA 449 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3jx5 h ALA 449 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3jx5 h ALA 449 CO -0.00 0.11 -0.00 1.15 0.00 0.00 0.00 179.25 180.50 3jx5 h THR 450 N 0.23 0.81 -6.70 0.00 2.02 -1.37 0.20 112.91 108.09 3jx5 h THR 450 Ca 0.07 -0.03 -0.54 0.00 0.77 0.00 0.00 66.41 66.68 3jx5 h THR 450 Cb 0.46 0.72 -0.16 0.00 -1.74 0.00 0.00 68.15 67.43 3jx5 h THR 450 CO 0.02 0.01 -0.87 -3.20 0.37 0.00 0.00 175.52 171.85 3jx5 n ASN 451 N -5.16 -1.69 -3.33 4.18 5.15 -0.78 -0.77 115.26 112.86 3jx5 n ASN 451 Ca -0.01 -1.04 -0.23 0.00 -0.60 0.00 0.00 54.58 52.70 3jx5 n ASN 451 Cb 0.14 -2.72 -0.01 0.00 -0.53 0.00 0.00 39.78 36.67 3jx5 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx5 n LYS 452 N -4.40 -3.26 0.00 1.20 5.02 -1.26 -2.26 118.16 113.19 3jx5 n LYS 452 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3jx5 n LYS 452 Cb 0.59 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 3jx5 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx5 n GLY 453 N -1.14 2.68 3.09 0.72 0.00 0.05 -4.93 105.19 105.67 3jx5 n GLY 453 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3jx5 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx5 n ASN 454 N 0.00 5.81 -4.62 1.61 4.05 -0.96 -0.67 115.26 120.48 3jx5 n ASN 454 Ca 0.00 -3.22 -0.41 0.00 0.45 0.00 0.00 54.58 51.40 3jx5 n ASN 454 Cb 0.00 -1.37 0.02 0.00 1.23 0.00 0.00 39.78 39.66 3jx5 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jx5 n LEU 455 N 2.64 2.99 -3.99 1.20 4.32 -1.24 -4.58 117.00 118.33 3jx5 n LEU 455 Ca 0.30 1.00 -0.19 0.00 -0.02 0.00 0.00 56.01 57.10 3jx5 n LEU 455 Cb 0.36 -1.38 -0.15 0.00 -1.62 0.00 0.00 43.42 40.63 3jx5 n LEU 455 CO 0.68 -1.44 -0.43 -0.13 -1.22 0.00 0.00 177.39 174.85 3jx5 s ARG 456 N -2.17 0.84 0.31 3.23 0.52 0.70 -4.99 118.95 117.39 3jx5 s ARG 456 Ca 0.65 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.29 3jx5 s ARG 456 Cb -0.52 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.05 3jx5 s ARG 456 CO 0.55 0.11 1.24 -1.12 0.02 0.00 0.00 175.30 176.10 3jx5 s SER 457 N 0.14 6.94 -0.00 0.23 0.01 -1.26 -4.50 113.70 115.26 3jx5 s SER 457 Ca -0.02 2.54 -0.25 0.00 1.31 0.00 0.00 55.95 59.53 3jx5 s SER 457 Cb -0.07 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.57 3jx5 s SER 457 CO 0.00 -0.40 0.55 0.00 0.41 0.00 0.00 173.24 173.80 3jx5 s ALA 458 N -1.09 -1.42 0.01 1.44 0.00 -0.94 -2.23 121.76 117.53 3jx5 s ALA 458 Ca 0.48 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3jx5 s ALA 458 Cb -0.37 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3jx5 s ALA 458 CO 0.48 -0.41 -0.13 -1.50 0.00 0.00 0.00 175.76 174.21 3jx5 s ILE 459 N -1.74 0.99 -0.15 0.00 2.07 0.32 -1.25 121.20 121.44 3jx5 s ILE 459 Ca -0.09 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.48 3jx5 s ILE 459 Cb -0.01 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.72 3jx5 s ILE 459 CO 0.04 0.18 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.22 3jx5 s THR 460 N -0.47 2.85 -0.26 4.00 2.01 -0.50 -0.00 115.64 123.27 3jx5 s THR 460 Ca 0.03 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3jx5 s THR 460 Cb -0.06 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 70.29 3jx5 s THR 460 CO 0.00 0.51 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.73 3jx5 s ILE 461 N 0.68 2.53 0.66 1.82 1.01 0.27 -3.29 121.20 124.87 3jx5 s ILE 461 Ca -0.07 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.16 3jx5 s ILE 461 Cb -0.16 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3jx5 s ILE 461 CO 0.02 0.07 0.99 -0.36 0.00 0.00 0.00 174.94 175.67 3jx5 s PHE 462 N 1.21 3.17 0.61 3.97 0.08 -1.15 0.47 117.98 126.35 3jx5 s PHE 462 Ca -0.04 0.69 -0.19 0.00 0.12 0.00 0.00 56.93 57.51 3jx5 s PHE 462 Cb -0.18 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3jx5 s PHE 462 CO -0.05 -1.11 1.19 -2.30 -0.10 0.00 0.00 175.22 172.85 3jx5 n PRO 463 N -2.81 1.14 -1.13 0.24 -0.02 -1.25 -4.74 135.00 126.42 3jx5 n PRO 463 Ca 0.06 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 3jx5 n PRO 463 Cb 0.58 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3jx5 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx5 s GLN 464 N -3.06 1.91 0.49 -0.52 -2.07 -1.26 -4.54 119.66 110.60 3jx5 s GLN 464 Ca 0.78 1.32 -0.24 0.00 -1.82 0.00 0.00 55.36 55.41 3jx5 s GLN 464 Cb -0.40 -1.85 -0.07 0.00 -1.09 0.00 0.00 33.01 29.60 3jx5 s GLN 464 CO 0.44 -1.93 1.32 -2.13 -1.32 0.00 0.00 175.29 171.68 3jx5 n ARG 465 N -3.63 1.86 0.00 9.60 0.63 0.13 -4.91 116.66 120.34 3jx5 n ARG 465 Ca 0.10 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3jx5 n ARG 465 Cb 0.53 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.94 3jx5 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx5 n THR 466 N -0.61 0.00 1.12 5.15 -2.24 -1.26 -4.74 114.28 111.70 3jx5 n THR 466 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 3jx5 n THR 466 Cb 0.42 -0.23 0.35 0.00 -2.10 0.00 0.00 70.33 68.78 3jx5 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx5 n ASP 467 N -0.40 2.12 0.00 3.42 3.85 -1.26 -4.76 116.55 119.52 3jx5 n ASP 467 Ca 0.00 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 3jx5 n ASP 467 Cb 0.00 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 3jx5 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx5 n GLY 468 N 1.24 0.73 0.25 6.12 0.00 -1.26 -4.56 105.19 107.71 3jx5 n GLY 468 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3jx5 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx5 n LYS 469 N -2.20 2.04 -1.47 1.61 5.02 -1.26 -4.64 118.16 117.27 3jx5 n LYS 469 Ca 0.00 -0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 55.65 3jx5 n LYS 469 Cb 0.02 -1.16 0.10 0.00 -0.02 0.00 0.00 35.03 33.97 3jx5 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx5 n HIS 470 N -0.33 0.89 -2.09 2.13 8.25 -1.26 -4.35 115.22 118.46 3jx5 n HIS 470 Ca 0.05 -1.57 -0.41 0.00 -0.26 0.00 0.00 57.72 55.53 3jx5 n HIS 470 Cb 0.26 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3jx5 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx5 s ASP 471 N -3.16 6.74 -0.23 0.41 -0.00 -1.26 -3.03 116.67 116.14 3jx5 s ASP 471 Ca 0.39 2.65 -0.25 0.00 -0.00 0.00 0.00 52.55 55.34 3jx5 s ASP 471 Cb 0.38 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.66 3jx5 s ASP 471 CO -0.06 -0.60 0.85 -0.36 -0.00 0.00 0.00 175.17 175.00 3jx5 s PHE 472 N -0.60 3.33 0.03 4.23 0.40 -1.26 -0.53 117.98 123.57 3jx5 s PHE 472 Ca 0.53 1.18 0.05 0.00 -0.60 0.00 0.00 56.93 58.10 3jx5 s PHE 472 Cb -0.40 -3.06 -0.02 0.00 0.51 0.00 0.00 43.02 40.05 3jx5 s PHE 472 CO 0.48 -0.37 -0.15 1.03 0.70 0.00 0.00 175.22 176.91 3jx5 s ARG 473 N 2.73 1.06 -0.40 0.44 1.81 -0.50 -3.41 118.95 120.68 3jx5 s ARG 473 Ca 0.36 -0.71 -0.17 0.00 -1.72 0.00 0.00 55.73 53.49 3jx5 s ARG 473 Cb -0.15 -1.07 0.01 0.00 -0.45 0.00 0.00 34.95 33.28 3jx5 s ARG 473 CO 0.08 0.28 0.41 0.08 -0.68 0.00 0.00 175.30 175.47 3jx5 s VAL 474 N -0.70 5.12 0.15 3.52 1.01 -1.26 -1.12 120.40 127.12 3jx5 s VAL 474 Ca 0.04 -0.24 0.31 0.00 0.00 0.00 0.00 61.98 62.08 3jx5 s VAL 474 Cb -0.07 -3.97 0.34 0.00 0.00 0.00 0.00 36.38 32.68 3jx5 s VAL 474 CO 0.01 -0.32 1.96 -0.50 0.00 0.00 0.00 175.10 176.24 3jx5 h TRP 475 N 8.65 0.00 -3.92 5.22 4.06 -1.58 -3.43 115.95 124.94 3jx5 h TRP 475 Ca -0.27 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.17 3jx5 h TRP 475 Cb 1.12 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.32 3jx5 h TRP 475 CO 0.64 0.07 0.49 -0.80 -3.56 0.00 0.00 178.44 175.28 3jx5 s ASN 476 N -5.85 6.70 0.12 -3.49 -0.87 -1.26 -4.92 114.94 105.38 3jx5 s ASN 476 Ca 0.00 2.29 -0.02 0.00 -1.57 0.00 0.00 52.86 53.56 3jx5 s ASN 476 Cb 0.10 -2.61 -0.12 0.00 -0.02 0.00 0.00 41.25 38.59 3jx5 s ASN 476 CO 0.57 -0.55 1.28 0.77 -2.57 0.00 0.00 177.10 176.60 3jx5 h SER 477 N 2.84 0.42 -4.44 -1.22 4.64 -1.89 -3.36 113.55 110.53 3jx5 h SER 477 Ca -0.48 -0.36 -0.42 0.00 -0.47 0.00 0.00 61.79 60.05 3jx5 h SER 477 Cb 1.23 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 62.97 3jx5 h SER 477 CO 0.63 1.19 -0.78 -1.10 -0.87 0.00 0.00 176.83 175.90 3jx5 s GLN 478 N -3.08 0.85 0.34 4.77 -0.21 -1.26 -0.45 119.66 120.62 3jx5 s GLN 478 Ca -0.04 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.42 3jx5 s GLN 478 Cb 0.09 -0.87 0.59 0.00 1.00 0.00 0.00 33.01 33.81 3jx5 s GLN 478 CO 0.86 0.20 1.98 -0.07 -2.12 0.00 0.00 175.29 176.14 3jx5 h LEU 479 N 4.40 0.74 -8.07 2.90 3.38 -1.41 -3.39 115.31 113.86 3jx5 h LEU 479 Ca -0.41 -0.04 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 3jx5 h LEU 479 Cb 1.19 -0.19 -0.35 0.00 0.09 0.00 0.00 40.66 41.41 3jx5 h LEU 479 CO 0.41 0.57 -0.85 -0.63 0.09 0.00 0.00 178.44 178.03 3jx5 s ILE 480 N -5.64 1.78 0.05 1.22 1.01 -1.26 -4.87 121.20 113.49 3jx5 s ILE 480 Ca -0.10 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 3jx5 s ILE 480 Cb 0.17 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 41.09 3jx5 s ILE 480 CO 0.77 0.50 0.55 -0.13 0.00 0.00 0.00 174.94 176.63 3jx5 s ARG 481 N 1.03 1.08 0.18 2.79 0.52 -1.26 -4.83 118.95 118.45 3jx5 s ARG 481 Ca -0.04 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.85 3jx5 s ARG 481 Cb -0.15 0.49 -0.07 0.00 0.52 0.00 0.00 34.95 35.75 3jx5 s ARG 481 CO -0.04 -0.40 0.53 0.71 0.02 0.00 0.00 175.30 176.12 3jx5 s TYR 482 N -2.51 3.51 0.69 -0.53 4.12 -1.26 -0.74 117.35 120.64 3jx5 s TYR 482 Ca -0.05 0.92 -0.14 0.00 0.02 0.00 0.00 57.07 57.82 3jx5 s TYR 482 Cb -0.01 -2.28 0.02 0.00 -1.52 0.00 0.00 41.96 38.17 3jx5 s TYR 482 CO -0.02 0.36 1.13 0.00 0.02 0.00 0.00 175.55 177.04 3jx5 s ALA 483 N -1.64 2.35 -0.02 3.71 0.00 0.28 -4.34 121.76 122.09 3jx5 s ALA 483 Ca 0.42 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.02 3jx5 s ALA 483 Cb -0.13 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3jx5 s ALA 483 CO 0.20 -1.49 -0.14 0.20 0.00 0.00 0.00 175.76 174.53 3jx5 s GLY 484 N -2.54 0.69 -0.15 0.00 0.00 -1.22 -1.39 107.32 102.71 3jx5 s GLY 484 Ca 0.68 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3jx5 s GLY 484 CO 0.44 -0.42 0.00 -0.19 0.00 0.00 0.00 173.10 172.93 3jx5 s TYR 485 N -0.20 1.11 0.03 1.90 1.51 0.35 -4.12 117.35 117.93 3jx5 s TYR 485 Ca 0.03 -0.72 -0.25 0.00 -1.01 0.00 0.00 57.07 55.11 3jx5 s TYR 485 Cb -0.07 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 3jx5 s TYR 485 CO -0.00 -0.53 0.79 0.21 -1.11 0.00 0.00 175.55 174.91 3jx5 s LYS 486 N 1.83 4.51 0.50 -0.62 2.47 -1.26 -0.88 119.74 126.29 3jx5 s LYS 486 Ca 0.01 1.10 -0.00 0.00 -1.56 0.00 0.00 55.97 55.52 3jx5 s LYS 486 Cb -0.15 -3.38 0.01 0.00 -1.46 0.00 0.00 37.83 32.85 3jx5 s LYS 486 CO -0.07 0.22 0.73 -0.65 0.16 0.00 0.00 175.35 175.75 3jx5 s GLN 487 N 0.14 2.87 0.63 4.03 -1.52 0.16 -4.95 119.66 121.02 3jx5 s GLN 487 Ca 0.40 -0.52 0.40 0.00 -1.95 0.00 0.00 55.36 53.68 3jx5 s GLN 487 Cb -0.20 -2.50 2.11 0.00 -0.22 0.00 0.00 33.01 32.20 3jx5 s GLN 487 CO 0.23 -0.47 2.27 -1.00 -0.25 0.00 0.00 175.29 176.07 3jx5 h PRO 488 N 0.22 0.00 -0.00 2.91 0.13 -1.97 -2.83 132.00 130.46 3jx5 h PRO 488 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3jx5 h PRO 488 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3jx5 h PRO 488 CO 0.56 0.01 -0.04 -0.40 -0.23 0.00 0.00 178.00 177.90 3jx5 n ASP 489 N -3.22 0.10 0.00 1.44 3.85 -1.26 -4.92 116.55 112.54 3jx5 n ASP 489 Ca -0.02 -0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.04 3jx5 n ASP 489 Cb 0.13 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 3jx5 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx5 n GLY 490 N 1.36 2.45 3.87 6.12 0.00 -1.07 -5.08 105.19 112.84 3jx5 n GLY 490 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3jx5 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx5 s SER 491 N -1.62 6.23 -0.04 1.61 1.04 -1.26 -4.78 113.70 114.87 3jx5 s SER 491 Ca 0.00 1.38 0.05 0.00 0.48 0.00 0.00 55.95 57.86 3jx5 s SER 491 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 3jx5 s SER 491 CO 0.00 -0.85 -0.17 -0.89 0.98 0.00 0.00 173.24 172.31 3jx5 s THR 492 N -3.15 2.80 -0.21 2.02 2.01 -1.26 0.38 115.64 118.23 3jx5 s THR 492 Ca 0.54 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 3jx5 s THR 492 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3jx5 s THR 492 CO 0.53 0.59 0.09 -0.22 -0.69 0.00 0.00 174.62 174.92 3jx5 s LEU 493 N -0.67 3.86 0.00 4.42 2.96 -0.06 -4.94 118.68 124.25 3jx5 s LEU 493 Ca 0.10 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3jx5 s LEU 493 Cb -0.11 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3jx5 s LEU 493 CO 0.00 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 3jx5 n GLY 494 N 3.97 -1.79 3.60 7.98 0.00 -1.26 -0.49 105.19 117.19 3jx5 n GLY 494 Ca -0.16 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3jx5 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx5 s ASP 495 N -4.00 6.25 0.51 1.61 -1.08 -0.49 -4.82 116.67 114.65 3jx5 s ASP 495 Ca 0.00 0.79 0.19 0.00 -0.52 0.00 0.00 52.55 53.01 3jx5 s ASP 495 Cb 0.00 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.24 3jx5 s ASP 495 CO 0.00 -1.51 2.12 -0.65 0.52 0.00 0.00 175.17 175.64 3jx5 h PRO 496 N 11.03 0.00 -0.33 4.34 0.11 -1.80 -1.17 132.00 144.18 3jx5 h PRO 496 Ca -0.28 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.86 3jx5 h PRO 496 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3jx5 h PRO 496 CO 1.10 0.07 0.22 0.00 -0.21 0.00 0.00 178.00 179.18 3jx5 h ALA 497 N 1.93 1.92 -0.57 -0.75 0.00 -1.91 -2.84 119.26 117.04 3jx5 h ALA 497 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jx5 h ALA 497 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jx5 h ALA 497 CO 0.01 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3jx5 n ASN 498 N -4.49 3.06 -0.13 0.00 3.02 -0.44 -4.60 115.26 111.67 3jx5 n ASN 498 Ca 0.03 -2.00 -0.04 0.00 -0.03 0.00 0.00 54.58 52.54 3jx5 n ASN 498 Cb 0.17 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3jx5 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx5 h VAL 499 N 3.35 0.61 -0.05 2.41 2.07 -1.59 0.11 116.25 123.17 3jx5 h VAL 499 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3jx5 h VAL 499 Cb 0.77 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3jx5 h VAL 499 CO 0.00 0.01 -0.20 -0.61 0.02 0.00 0.00 177.57 176.79 3jx5 h GLN 500 N 0.03 0.23 -0.82 1.57 4.15 -1.86 -0.92 115.11 117.50 3jx5 h GLN 500 Ca 0.20 -0.17 0.09 0.00 0.77 0.00 0.00 58.65 59.54 3jx5 h GLN 500 Cb 0.31 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 3jx5 h GLN 500 CO -0.40 0.81 0.53 0.35 -1.93 0.00 0.00 178.83 178.19 3jx5 h PHE 501 N -0.31 0.83 0.17 3.99 3.57 -1.86 -1.52 116.94 121.80 3jx5 h PHE 501 Ca -0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3jx5 h PHE 501 Cb 0.84 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3jx5 h PHE 501 CO 0.13 0.39 -0.21 1.15 -2.23 0.00 0.00 178.31 177.55 3jx5 h THR 502 N 0.78 0.53 -0.58 4.41 2.02 -0.49 -0.95 112.91 118.63 3jx5 h THR 502 Ca 0.37 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.66 3jx5 h THR 502 Cb 0.41 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 3jx5 h THR 502 CO -0.15 0.00 0.14 -0.33 0.37 0.00 0.00 175.52 175.55 3jx5 h GLU 503 N -0.43 0.27 0.46 6.66 5.08 -0.59 0.38 114.58 126.41 3jx5 h GLU 503 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3jx5 h GLU 503 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3jx5 h GLU 503 CO -0.08 0.18 -0.50 0.82 -1.00 0.00 0.00 179.01 178.43 3jx5 h ILE 504 N 0.28 0.00 -0.29 3.13 2.04 -1.18 0.10 117.51 121.58 3jx5 h ILE 504 Ca 0.30 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3jx5 h ILE 504 Cb 0.43 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 3jx5 h ILE 504 CO -0.37 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.25 3jx5 h ILE 506 N -0.44 0.17 0.00 0.00 2.04 0.12 -0.02 117.51 119.38 3jx5 h ILE 506 Ca 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3jx5 h ILE 506 Cb 0.59 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3jx5 h ILE 506 CO -0.51 0.01 -0.16 1.67 0.00 0.00 0.00 178.15 179.17 3jx5 n GLN 507 N -5.39 0.22 0.00 2.37 7.27 -0.01 -1.41 117.38 120.43 3jx5 n GLN 507 Ca 0.21 0.15 0.14 0.00 0.07 0.00 0.00 57.00 57.56 3jx5 n GLN 507 Cb 0.68 -1.73 0.69 0.00 2.41 0.00 0.00 30.24 32.29 3jx5 n GLN 507 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3jx5 n GLN 508 N -2.10 0.35 0.00 3.69 1.13 -0.06 -4.92 117.38 115.47 3jx5 n GLN 508 Ca 0.05 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 3jx5 n GLN 508 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 3jx5 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx5 n GLY 509 N 1.11 1.40 3.65 1.08 0.00 -0.50 -4.91 105.19 107.02 3jx5 n GLY 509 Ca 0.12 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.61 3jx5 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx5 n TRP 510 N -0.13 1.86 -3.13 1.61 -0.00 -1.19 -4.94 117.44 111.52 3jx5 n TRP 510 Ca 0.00 0.51 -0.43 0.00 -0.00 0.00 0.00 57.50 57.58 3jx5 n TRP 510 Cb 0.00 -2.43 -0.06 0.00 -0.00 0.00 0.00 31.31 28.82 3jx5 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx5 s LYS 511 N 2.03 3.18 0.10 5.87 -0.14 -1.26 -4.46 119.74 125.07 3jx5 s LYS 511 Ca 0.90 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 54.53 3jx5 s LYS 511 Cb -0.95 -4.04 -0.09 0.00 -1.68 0.00 0.00 37.83 31.07 3jx5 s LYS 511 CO 0.54 -1.14 1.59 0.00 -0.76 0.00 0.00 175.35 175.58 3jx5 s ALA 512 N 2.74 3.70 0.21 5.17 0.00 -1.26 -4.94 121.76 127.39 3jx5 s ALA 512 Ca 0.18 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.32 3jx5 s ALA 512 Cb -0.17 -3.65 0.18 0.00 0.00 0.00 0.00 23.12 19.48 3jx5 s ALA 512 CO 0.15 -0.95 1.69 -1.35 0.00 0.00 0.00 175.76 175.30 3jx5 h PRO 513 N 7.67 0.94 -4.24 0.00 0.11 -2.00 -3.48 132.00 130.99 3jx5 h PRO 513 Ca -0.42 -0.29 -0.18 0.00 0.11 0.00 0.00 66.00 65.21 3jx5 h PRO 513 Cb 1.20 -0.09 0.11 0.00 0.11 0.00 0.00 31.00 32.33 3jx5 h PRO 513 CO 0.92 0.94 -0.47 0.54 -0.21 0.00 0.00 178.00 179.72 3jx5 n ARG 514 N -4.18 -3.24 -3.51 1.05 1.74 -1.26 -5.07 116.66 102.19 3jx5 n ARG 514 Ca 0.03 0.51 -0.20 0.00 -0.77 0.00 0.00 57.85 57.41 3jx5 n ARG 514 Cb 0.34 -4.38 -0.03 0.00 -1.02 0.00 0.00 32.46 27.37 3jx5 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx5 n GLY 515 N -1.15 3.40 0.25 -0.13 0.00 -1.26 -5.04 105.19 101.27 3jx5 n GLY 515 Ca -0.14 -2.29 0.15 0.00 0.00 0.00 0.00 46.02 43.74 3jx5 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx5 h ARG 516 N 0.00 0.00 -1.25 1.61 2.43 -1.93 -3.36 114.38 111.88 3jx5 h ARG 516 Ca -0.26 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.51 3jx5 h ARG 516 Cb 0.86 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.01 3jx5 h ARG 516 CO 0.43 0.00 -1.18 1.19 -1.51 0.00 0.00 179.97 178.91 3jx5 n PHE 517 N -3.10 1.07 -2.96 2.20 3.01 -1.26 -4.30 117.46 112.12 3jx5 n PHE 517 Ca 0.02 -3.03 -0.41 0.00 1.01 0.00 0.00 57.45 55.03 3jx5 n PHE 517 Cb 0.41 -0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 3jx5 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx5 s ASP 518 N -2.99 6.79 -0.07 4.37 1.01 -1.26 -4.92 116.67 119.59 3jx5 s ASP 518 Ca 0.31 0.97 -0.30 0.00 0.71 0.00 0.00 52.55 54.25 3jx5 s ASP 518 Cb 0.43 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.91 3jx5 s ASP 518 CO 0.00 -0.44 1.54 -0.69 0.21 0.00 0.00 175.17 175.79 3jx5 s VAL 519 N 2.56 3.75 0.74 -1.27 1.01 -1.26 -0.56 120.40 125.37 3jx5 s VAL 519 Ca 0.33 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 3jx5 s VAL 519 Cb -0.16 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.66 3jx5 s VAL 519 CO 0.09 -0.07 1.13 -0.76 0.00 0.00 0.00 175.10 175.48 3jx5 s LEU 520 N 3.74 3.19 0.62 3.92 1.43 0.09 -4.89 118.68 126.77 3jx5 s LEU 520 Ca 0.68 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 3jx5 s LEU 520 Cb -0.30 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.33 3jx5 s LEU 520 CO 0.26 -2.06 1.03 -2.16 0.23 0.00 0.00 176.35 173.65 3jx5 s PRO 521 N -4.39 3.49 0.07 1.29 0.04 -1.26 -4.73 135.00 129.50 3jx5 s PRO 521 Ca 0.66 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3jx5 s PRO 521 Cb -0.21 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3jx5 s PRO 521 CO 0.49 -0.66 0.91 -0.51 0.04 0.00 0.00 177.00 177.27 3jx5 s LEU 522 N -5.07 4.46 -0.21 -3.56 1.43 0.93 -4.88 118.68 111.78 3jx5 s LEU 522 Ca 0.57 1.67 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 3jx5 s LEU 522 Cb -0.12 -3.48 -0.00 0.00 0.03 0.00 0.00 46.19 42.62 3jx5 s LEU 522 CO 0.50 -0.08 -0.07 -0.22 0.23 0.00 0.00 176.35 176.71 3jx5 s LEU 523 N 0.17 2.77 -0.11 1.79 2.96 -1.26 -1.65 118.68 123.34 3jx5 s LEU 523 Ca 0.45 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3jx5 s LEU 523 Cb -0.22 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3jx5 s LEU 523 CO 0.27 -0.01 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.50 3jx5 s LEU 524 N 1.40 1.03 -0.25 -0.68 1.43 -0.47 -1.46 118.68 119.68 3jx5 s LEU 524 Ca 0.05 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3jx5 s LEU 524 Cb -0.14 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 3jx5 s LEU 524 CO -0.05 -0.17 0.46 -1.58 0.23 0.00 0.00 176.35 175.24 3jx5 s GLN 525 N 1.81 4.07 -0.08 1.70 0.74 -0.27 -1.43 119.66 126.19 3jx5 s GLN 525 Ca 0.04 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.69 3jx5 s GLN 525 Cb -0.13 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 3jx5 s GLN 525 CO -0.07 -0.29 -0.11 0.00 -0.55 0.00 0.00 175.29 174.27 3jx5 s ALA 526 N 2.10 2.77 -1.47 1.58 0.00 -1.26 -1.41 121.76 124.06 3jx5 s ALA 526 Ca 0.19 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 3jx5 s ALA 526 Cb -0.16 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3jx5 s ALA 526 CO 0.09 0.46 0.32 -1.71 0.00 0.00 0.00 175.76 174.92 3jx5 n ASN 527 N 2.68 -5.23 0.00 0.00 4.05 -1.20 -0.30 115.26 115.25 3jx5 n ASN 527 Ca -0.18 -0.15 0.00 0.00 0.45 0.00 0.00 54.58 54.71 3jx5 n ASN 527 Cb 0.53 -4.31 0.00 0.00 1.23 0.00 0.00 39.78 37.23 3jx5 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx5 n GLY 528 N -1.20 0.49 3.82 8.20 0.00 0.31 -4.54 105.19 112.27 3jx5 n GLY 528 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3jx5 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx5 s ASN 529 N -2.27 5.09 0.58 1.61 0.01 0.58 -4.86 114.94 115.67 3jx5 s ASN 529 Ca 0.00 1.42 -0.20 0.00 -0.71 0.00 0.00 52.86 53.37 3jx5 s ASN 529 Cb 0.00 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 3jx5 s ASN 529 CO 0.00 -1.60 1.10 0.47 -1.51 0.00 0.00 177.10 175.56 3jx5 n ASP 530 N -3.21 1.41 -4.96 -1.22 8.00 -1.26 -4.25 116.55 111.06 3jx5 n ASP 530 Ca 0.07 0.87 -0.22 0.00 0.71 0.00 0.00 54.79 56.22 3jx5 n ASP 530 Cb 0.55 -1.45 0.03 0.00 -0.02 0.00 0.00 41.12 40.23 3jx5 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx5 s PRO 531 N -2.80 2.68 0.09 -0.24 0.04 -1.26 -4.64 135.00 128.87 3jx5 s PRO 531 Ca 0.75 -0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.19 3jx5 s PRO 531 Cb -0.43 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 3jx5 s PRO 531 CO 0.47 -0.61 -0.19 -1.21 0.04 0.00 0.00 177.00 175.50 3jx5 s GLU 532 N -4.73 1.05 0.41 4.56 2.02 -0.51 -4.77 118.70 116.74 3jx5 s GLU 532 Ca 0.55 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 3jx5 s GLU 532 Cb -0.10 -1.23 -0.11 0.00 0.10 0.00 0.00 34.13 32.79 3jx5 s GLU 532 CO 0.39 0.29 0.91 -0.51 0.02 0.00 0.00 175.26 176.35 3jx5 s LEU 533 N -1.77 3.95 -0.24 1.80 1.43 -1.26 -1.37 118.68 121.22 3jx5 s LEU 533 Ca 0.04 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.61 3jx5 s LEU 533 Cb -0.10 -4.45 0.07 0.00 0.03 0.00 0.00 46.19 41.74 3jx5 s LEU 533 CO 0.03 -0.34 0.59 -0.36 0.23 0.00 0.00 176.35 176.50 3jx5 s PHE 534 N -2.16 -0.88 -0.00 0.29 0.40 -0.66 -4.97 117.98 110.01 3jx5 s PHE 534 Ca 0.60 1.81 -0.29 0.00 -0.60 0.00 0.00 56.93 58.45 3jx5 s PHE 534 Cb -0.09 0.49 -0.03 0.00 0.51 0.00 0.00 43.02 43.89 3jx5 s PHE 534 CO 0.14 -0.45 0.95 -1.14 0.70 0.00 0.00 175.22 175.42 3jx5 s GLN 535 N 1.49 4.55 0.29 0.44 0.74 -1.26 -0.05 119.66 125.86 3jx5 s GLN 535 Ca -0.09 1.37 -0.29 0.00 0.05 0.00 0.00 55.36 56.39 3jx5 s GLN 535 Cb -0.06 -3.45 -0.10 0.00 1.10 0.00 0.00 33.01 30.49 3jx5 s GLN 535 CO -0.16 -0.02 1.36 0.42 -0.55 0.00 0.00 175.29 176.34 3jx5 s ILE 536 N 0.93 2.70 0.15 -2.34 1.01 -1.26 -4.94 121.20 117.44 3jx5 s ILE 536 Ca 0.50 0.65 -0.31 0.00 0.00 0.00 0.00 60.65 61.49 3jx5 s ILE 536 Cb -0.21 -3.41 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 3jx5 s ILE 536 CO 0.27 0.13 1.67 -2.84 0.00 0.00 0.00 174.94 174.18 3jx5 s PRO 537 N -1.17 4.17 0.40 2.79 0.02 -1.26 -4.89 135.00 135.07 3jx5 s PRO 537 Ca 0.53 2.46 0.07 0.00 0.02 0.00 0.00 61.00 64.09 3jx5 s PRO 537 Cb -0.41 -3.31 0.83 0.00 0.02 0.00 0.00 34.50 31.64 3jx5 s PRO 537 CO 0.49 -0.71 2.02 -1.35 -0.33 0.00 0.00 177.00 177.12 3jx5 h PRO 538 N 7.46 0.59 -0.02 5.54 0.11 -1.95 0.78 132.00 144.52 3jx5 h PRO 538 Ca -0.43 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3jx5 h PRO 538 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3jx5 h PRO 538 CO 0.93 0.39 0.10 1.05 -0.21 0.00 0.00 178.00 180.27 3jx5 h GLU 539 N 0.61 0.00 0.00 1.05 9.09 -2.04 -0.50 114.58 122.79 3jx5 h GLU 539 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3jx5 h GLU 539 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3jx5 h GLU 539 CO -0.06 0.00 -0.69 -0.07 0.05 0.00 0.00 179.01 178.24 3jx5 h LEU 540 N 0.00 0.00 -8.04 3.06 4.07 -1.21 -3.43 115.31 109.76 3jx5 h LEU 540 Ca 0.01 -0.10 -0.68 0.00 0.08 0.00 0.00 57.88 57.19 3jx5 h LEU 540 Cb 0.21 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 41.78 3jx5 h LEU 540 CO -0.00 0.05 0.70 -0.69 -1.08 0.00 0.00 178.44 177.42 3jx5 s VAL 541 N -3.25 4.67 -0.00 1.22 1.01 -0.20 -4.85 120.40 119.01 3jx5 s VAL 541 Ca 0.04 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 3jx5 s VAL 541 Cb 0.11 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 3jx5 s VAL 541 CO 0.74 -1.46 1.32 -0.22 0.00 0.00 0.00 175.10 175.48 3jx5 s LEU 542 N 2.90 4.31 0.10 3.92 2.96 -1.26 -5.00 118.68 126.62 3jx5 s LEU 542 Ca 0.28 2.03 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 3jx5 s LEU 542 Cb -0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3jx5 s LEU 542 CO -0.04 -0.64 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.56 3jx5 s GLU 543 N 2.10 1.01 -0.15 1.98 2.02 -1.26 -1.29 118.70 123.10 3jx5 s GLU 543 Ca 0.61 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 54.48 3jx5 s GLU 543 Cb -0.29 -1.12 0.02 0.00 0.10 0.00 0.00 34.13 32.84 3jx5 s GLU 543 CO 0.26 0.25 -0.15 0.08 0.02 0.00 0.00 175.26 175.71 3jx5 s VAL 544 N -1.42 1.66 0.30 2.63 1.01 0.69 -4.91 120.40 120.35 3jx5 s VAL 544 Ca 0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3jx5 s VAL 544 Cb -0.09 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 3jx5 s VAL 544 CO 0.04 0.47 1.21 -2.84 0.00 0.00 0.00 175.10 173.98 3jx5 s PRO 545 N 1.40 4.49 -0.26 2.72 0.02 -1.26 -1.22 135.00 140.88 3jx5 s PRO 545 Ca 0.04 2.02 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 3jx5 s PRO 545 Cb -0.13 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 3jx5 s PRO 545 CO -0.10 -0.01 0.24 0.42 -0.33 0.00 0.00 177.00 177.22 3jx5 s ILE 546 N -1.08 5.29 0.22 2.83 -1.09 0.33 -4.85 121.20 122.84 3jx5 s ILE 546 Ca 0.47 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 59.22 3jx5 s ILE 546 Cb -0.36 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 3jx5 s ILE 546 CO 0.47 0.26 -0.02 0.00 -1.23 0.00 0.00 174.94 174.41 3jx5 s ARG 547 N 1.61 1.28 -0.02 2.79 3.03 -1.26 -4.10 118.95 122.28 3jx5 s ARG 547 Ca 0.10 -1.63 0.03 0.00 2.03 0.00 0.00 55.73 56.25 3jx5 s ARG 547 Cb -0.15 -0.61 -0.03 0.00 -1.03 0.00 0.00 34.95 33.13 3jx5 s ARG 547 CO 0.09 -0.07 -0.09 -1.58 -1.13 0.00 0.00 175.30 172.52 3jx5 s HIS 548 N -3.41 2.85 0.51 5.89 2.46 -1.25 -4.40 115.29 117.93 3jx5 s HIS 548 Ca 0.26 -0.05 0.21 0.00 0.47 0.00 0.00 55.06 55.95 3jx5 s HIS 548 Cb 0.05 -1.63 1.38 0.00 -0.13 0.00 0.00 32.58 32.25 3jx5 s HIS 548 CO 0.07 0.33 2.13 -1.00 -2.47 0.00 0.00 174.74 173.80 3jx5 h PRO 549 N 4.84 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 134.61 3jx5 h PRO 549 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 3jx5 h PRO 549 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3jx5 h PRO 549 CO 0.52 0.06 -1.33 1.63 -0.23 0.00 0.00 178.00 178.66 3jx5 n LYS 550 N -4.17 1.38 -3.05 0.86 5.02 -1.26 -4.96 118.16 111.99 3jx5 n LYS 550 Ca -0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3jx5 n LYS 550 Cb 0.15 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3jx5 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx5 s PHE 551 N -2.12 3.09 -0.55 2.13 0.08 -1.25 -4.92 117.98 114.44 3jx5 s PHE 551 Ca -0.06 0.25 0.24 0.00 0.12 0.00 0.00 56.93 57.48 3jx5 s PHE 551 Cb 0.02 -3.36 0.51 0.00 -0.57 0.00 0.00 43.02 39.61 3jx5 s PHE 551 CO 0.16 -0.79 1.66 0.22 -0.10 0.00 0.00 175.22 176.37 3jx5 h ASP 552 N 8.69 0.00 0.86 1.36 3.58 -1.93 -3.10 116.42 125.87 3jx5 h ASP 552 Ca -0.25 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3jx5 h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3jx5 h ASP 552 CO 0.89 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.58 3jx5 n TRP 553 N -2.77 0.20 -0.15 0.28 4.27 -1.26 -3.97 117.44 114.05 3jx5 n TRP 553 Ca 0.04 0.07 -0.01 0.00 -3.89 0.00 0.00 57.50 53.71 3jx5 n TRP 553 Cb 0.49 -0.61 0.23 0.00 -1.36 0.00 0.00 31.31 30.06 3jx5 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx5 h PHE 554 N 0.00 0.85 -0.09 -2.67 3.04 -1.92 -2.25 116.94 113.90 3jx5 h PHE 554 Ca 0.00 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 3jx5 h PHE 554 Cb 0.43 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3jx5 h PHE 554 CO 0.00 0.64 -0.39 1.57 -2.02 0.00 0.00 178.31 178.11 3jx5 h LYS 555 N 0.85 0.19 0.00 1.11 2.10 -1.71 -2.73 116.57 116.39 3jx5 h LYS 555 Ca 0.21 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3jx5 h LYS 555 Cb 0.13 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3jx5 h LYS 555 CO -0.02 0.56 0.00 -0.44 -2.00 0.00 0.00 179.45 177.55 3jx5 h ASP 556 N 0.17 0.00 0.07 7.07 3.32 -1.63 -1.05 116.42 124.37 3jx5 h ASP 556 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3jx5 h ASP 556 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3jx5 h ASP 556 CO 0.06 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.51 3jx5 h LEU 557 N 0.00 0.00 0.30 1.55 3.38 -1.51 -3.46 115.31 115.57 3jx5 h LEU 557 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3jx5 h LEU 557 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3jx5 h LEU 557 CO 0.00 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.03 3jx5 n GLY 558 N -1.07 0.80 3.80 0.83 0.00 -0.40 -5.01 105.19 104.14 3jx5 n GLY 558 Ca -0.02 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3jx5 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx5 s LEU 559 N -1.32 4.32 0.13 0.99 1.43 -1.26 -4.98 118.68 117.98 3jx5 s LEU 559 Ca 0.00 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 3jx5 s LEU 559 Cb 0.00 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3jx5 s LEU 559 CO 0.00 -0.03 0.08 -1.59 0.23 0.00 0.00 176.35 175.04 3jx5 s LYS 560 N -2.08 0.94 0.07 1.70 -2.85 -1.26 -0.52 119.74 115.74 3jx5 s LYS 560 Ca 0.47 -1.39 -0.04 0.00 -1.00 0.00 0.00 55.97 54.01 3jx5 s LYS 560 Cb -0.17 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.84 3jx5 s LYS 560 CO 0.22 -0.28 0.07 -0.46 0.10 0.00 0.00 175.35 175.00 3jx5 s TRP 561 N -4.03 0.35 0.50 1.78 -0.11 -0.36 -4.92 118.94 112.16 3jx5 s TRP 561 Ca 0.22 -0.85 -0.13 0.00 1.22 0.00 0.00 56.10 56.57 3jx5 s TRP 561 Cb 0.07 -0.24 -0.06 0.00 -1.50 0.00 0.00 33.47 31.73 3jx5 s TRP 561 CO 0.01 -0.45 0.91 1.52 -4.62 0.00 0.00 176.95 174.32 3jx5 s TYR 562 N -3.87 3.50 -0.48 5.86 -0.85 -1.26 -0.23 117.35 120.02 3jx5 s TYR 562 Ca 0.06 1.25 0.23 0.00 -0.52 0.00 0.00 57.07 58.10 3jx5 s TYR 562 Cb 0.06 -2.63 0.18 0.00 0.38 0.00 0.00 41.96 39.95 3jx5 s TYR 562 CO -0.10 -0.35 1.18 0.78 -1.52 0.00 0.00 175.55 175.54 3jx5 h GLY 563 N 0.72 0.00 -7.61 5.49 0.00 -1.55 -3.46 103.07 96.67 3jx5 h GLY 563 Ca -0.46 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.17 3jx5 h GLY 563 CO 0.62 0.00 -0.57 -2.27 0.00 0.00 0.00 176.54 174.32 3jx5 s LEU 564 N -4.66 4.60 -0.18 3.11 2.96 -1.26 -4.52 118.68 118.73 3jx5 s LEU 564 Ca 0.03 -1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 52.37 3jx5 s LEU 564 Cb 0.12 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3jx5 s LEU 564 CO 0.76 -0.40 0.71 -2.16 -1.32 0.00 0.00 176.35 173.94 3jx5 s PRO 565 N 1.36 4.26 -0.27 0.98 0.04 -1.26 -4.72 135.00 135.40 3jx5 s PRO 565 Ca 0.00 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 3jx5 s PRO 565 Cb -0.21 -3.56 0.10 0.00 0.04 0.00 0.00 34.50 30.87 3jx5 s PRO 565 CO 0.01 -0.25 0.16 0.00 0.04 0.00 0.00 177.00 176.97 3jx5 s ALA 566 N 1.90 0.32 -0.02 8.56 0.00 -1.26 -2.40 121.76 128.87 3jx5 s ALA 566 Ca 0.33 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 3jx5 s ALA 566 Cb -0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3jx5 s ALA 566 CO 0.12 -1.57 1.14 0.08 0.00 0.00 0.00 175.76 175.53 3jx5 s VAL 567 N 2.17 4.37 0.00 0.00 1.01 0.59 -1.09 120.40 127.45 3jx5 s VAL 567 Ca 0.08 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3jx5 s VAL 567 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3jx5 s VAL 567 CO -0.31 0.06 0.84 -1.54 0.00 0.00 0.00 175.10 174.16 3jx5 n SER 568 N 4.57 1.56 -0.42 3.32 3.41 0.41 -1.37 113.62 125.10 3jx5 n SER 568 Ca 0.09 -1.71 0.05 0.00 -0.26 0.00 0.00 58.87 57.04 3jx5 n SER 568 Cb 0.47 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3jx5 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx5 n ASN 569 N -0.35 2.02 -4.94 4.04 6.94 -1.23 -4.47 115.26 117.27 3jx5 n ASN 569 Ca 0.00 -1.53 -0.24 0.00 -0.02 0.00 0.00 54.58 52.78 3jx5 n ASN 569 Cb 0.24 -0.05 -0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3jx5 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx5 s MET 570 N -0.84 3.35 -0.15 -3.83 -1.94 -1.26 -4.40 119.30 110.23 3jx5 s MET 570 Ca 0.13 -0.27 -0.03 0.00 -1.71 0.00 0.00 55.69 53.81 3jx5 s MET 570 Cb 0.08 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3jx5 s MET 570 CO 0.12 -0.08 -0.04 -1.17 -0.01 0.00 0.00 175.02 173.85 3jx5 s LEU 571 N -4.49 3.24 -0.33 -0.03 0.20 0.44 -4.27 118.68 113.43 3jx5 s LEU 571 Ca 0.44 -0.12 -0.13 0.00 0.69 0.00 0.00 54.13 55.01 3jx5 s LEU 571 Cb -0.10 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.87 3jx5 s LEU 571 CO 0.39 0.19 0.28 -0.22 -0.29 0.00 0.00 176.35 176.70 3jx5 s LEU 572 N 0.23 4.44 -0.23 -0.68 2.96 -0.03 0.04 118.68 125.40 3jx5 s LEU 572 Ca -0.03 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 3jx5 s LEU 572 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 3jx5 s LEU 572 CO 0.03 -0.25 0.09 -0.70 -1.32 0.00 0.00 176.35 174.20 3jx5 s GLU 573 N 1.83 3.81 -0.07 1.98 2.12 0.01 -0.92 118.70 127.45 3jx5 s GLU 573 Ca 0.08 -0.41 -0.00 0.00 0.36 0.00 0.00 54.97 55.00 3jx5 s GLU 573 Cb -0.17 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.90 3jx5 s GLU 573 CO 0.11 -0.04 -0.04 0.42 -0.54 0.00 0.00 175.26 175.17 3jx5 s ILE 574 N 1.23 0.63 -1.26 -3.70 1.01 -0.78 -2.07 121.20 116.27 3jx5 s ILE 574 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 3jx5 s ILE 574 Cb -0.14 -0.70 0.07 0.00 0.01 0.00 0.00 42.46 41.70 3jx5 s ILE 574 CO 0.04 0.28 0.46 0.61 0.00 0.00 0.00 174.94 176.33 3jx5 n GLY 575 N 4.69 -0.48 1.55 6.18 0.00 -1.26 -0.58 105.19 115.28 3jx5 n GLY 575 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3jx5 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx5 n GLY 576 N -1.14 2.56 3.79 -0.02 0.00 -1.26 -3.44 105.19 105.69 3jx5 n GLY 576 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3jx5 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx5 s LEU 577 N 0.00 4.36 -0.28 0.99 1.43 0.25 -5.03 118.68 120.40 3jx5 s LEU 577 Ca 0.00 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 3jx5 s LEU 577 Cb 0.00 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3jx5 s LEU 577 CO 0.00 -0.01 0.01 -1.61 0.23 0.00 0.00 176.35 174.97 3jx5 s GLU 578 N -1.95 2.87 -0.55 1.70 2.02 -1.26 -1.86 118.70 119.66 3jx5 s GLU 578 Ca 0.47 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 54.32 3jx5 s GLU 578 Cb -0.18 -3.19 0.13 0.00 0.10 0.00 0.00 34.13 30.99 3jx5 s GLU 578 CO 0.23 -0.46 0.51 -0.06 0.02 0.00 0.00 175.26 175.51 3jx5 s PHE 579 N 1.39 3.26 -1.88 1.61 0.40 -0.10 0.23 117.98 122.89 3jx5 s PHE 579 Ca 0.00 -1.30 0.29 0.00 -0.60 0.00 0.00 56.93 55.32 3jx5 s PHE 579 Cb -0.17 -3.81 1.26 0.00 0.51 0.00 0.00 43.02 40.81 3jx5 s PHE 579 CO -0.01 -1.03 1.87 -1.13 0.70 0.00 0.00 175.22 175.62 3jx5 n SER 580 N 5.25 0.64 -3.83 1.36 3.41 -1.26 -0.85 113.62 118.34 3jx5 n SER 580 Ca -0.13 -0.85 -0.29 0.00 -0.26 0.00 0.00 58.87 57.34 3jx5 n SER 580 Cb 0.40 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.16 3jx5 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx5 s ALA 581 N -2.31 1.42 -0.41 7.33 0.00 -1.22 -4.61 121.76 121.97 3jx5 s ALA 581 Ca 0.33 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.42 3jx5 s ALA 581 Cb 0.20 -1.28 0.35 0.00 0.00 0.00 0.00 23.12 22.40 3jx5 s ALA 581 CO 0.43 -1.15 0.99 0.00 0.00 0.00 0.00 175.76 176.03 3jx5 n PRO 583 N 0.18 2.29 -4.25 0.00 -0.04 -1.21 -4.59 135.00 127.38 3jx5 n PRO 583 Ca 0.12 0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 64.25 3jx5 n PRO 583 Cb 0.72 -2.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 3jx5 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx5 s PHE 584 N -0.75 1.24 0.01 0.54 -0.12 -0.47 -1.41 117.98 117.03 3jx5 s PHE 584 Ca 0.59 -0.87 -0.16 0.00 -0.05 0.00 0.00 56.93 56.44 3jx5 s PHE 584 Cb -0.56 -0.68 0.03 0.00 -0.63 0.00 0.00 43.02 41.18 3jx5 s PHE 584 CO 0.58 -0.04 0.34 -1.54 -0.05 0.00 0.00 175.22 174.51 3jx5 s SER 585 N -3.17 -0.21 0.00 1.98 1.04 -0.38 -0.30 113.70 112.66 3jx5 s SER 585 Ca 0.19 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3jx5 s SER 585 Cb 0.04 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3jx5 s SER 585 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3jx5 n GLY 586 N 0.88 4.04 3.15 7.32 0.00 -1.01 -2.22 105.19 117.36 3jx5 n GLY 586 Ca -0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3jx5 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx5 s TRP 587 N 3.43 0.86 0.35 1.61 -2.14 -1.26 -4.56 118.94 117.22 3jx5 s TRP 587 Ca 0.00 -1.19 -0.24 0.00 2.66 0.00 0.00 56.10 57.33 3jx5 s TRP 587 Cb 0.00 -0.49 -0.10 0.00 -3.10 0.00 0.00 33.47 29.78 3jx5 s TRP 587 CO 0.00 -0.47 0.93 0.71 -2.66 0.00 0.00 176.95 175.46 3jx5 s TYR 588 N -3.99 3.57 0.08 1.66 1.51 -1.26 -4.92 117.35 114.00 3jx5 s TYR 588 Ca 0.22 1.69 -0.23 0.00 -1.01 0.00 0.00 57.07 57.74 3jx5 s TYR 588 Cb 0.07 -2.87 -0.07 0.00 -0.11 0.00 0.00 41.96 38.99 3jx5 s TYR 588 CO 0.01 0.12 0.71 1.41 -1.11 0.00 0.00 175.55 176.68 3jx5 s MET 589 N -2.42 4.44 0.46 -0.62 -2.45 -1.26 -1.28 119.30 116.16 3jx5 s MET 589 Ca 0.53 0.98 0.16 0.00 -1.25 0.00 0.00 55.69 56.11 3jx5 s MET 589 Cb -0.15 -3.30 1.10 0.00 1.25 0.00 0.00 34.83 33.73 3jx5 s MET 589 CO 0.20 0.46 2.00 0.78 1.05 0.00 0.00 175.02 179.51 3jx5 h GLY 590 N 4.99 0.44 2.00 2.11 0.00 -0.97 -2.43 103.07 109.21 3jx5 h GLY 590 Ca -0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3jx5 h GLY 590 CO 0.68 0.08 -0.25 -0.91 0.00 0.00 0.00 176.54 176.13 3jx5 h THR 591 N 0.32 1.00 -1.00 4.70 1.35 -1.94 -1.63 112.91 115.71 3jx5 h THR 591 Ca 0.25 -0.92 0.15 0.00 -0.55 0.00 0.00 66.41 65.33 3jx5 h THR 591 Cb 0.55 1.52 -0.09 0.00 -1.73 0.00 0.00 68.15 68.40 3jx5 h THR 591 CO -0.06 0.25 0.62 -0.33 -0.25 0.00 0.00 175.52 175.75 3jx5 h GLU 592 N 0.00 0.86 0.00 4.72 5.08 -1.85 -0.63 114.58 122.77 3jx5 h GLU 592 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3jx5 h GLU 592 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3jx5 h GLU 592 CO 0.03 0.57 -0.49 0.82 -1.00 0.00 0.00 179.01 178.94 3jx5 h ILE 593 N 0.89 0.88 -0.10 3.13 2.04 -1.63 -2.57 117.51 120.14 3jx5 h ILE 593 Ca 0.53 -1.82 -0.19 0.00 1.00 0.00 0.00 64.86 64.38 3jx5 h ILE 593 Cb 0.67 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3jx5 h ILE 593 CO -0.31 0.30 -0.71 1.23 0.00 0.00 0.00 178.15 178.66 3jx5 h GLY 594 N -1.00 0.53 0.00 5.37 0.00 -1.31 -1.20 103.07 105.46 3jx5 h GLY 594 Ca -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.44 3jx5 h GLY 594 CO -0.07 0.64 -0.52 -2.08 0.00 0.00 0.00 176.54 174.52 3jx5 h VAL 595 N 0.33 0.37 0.00 4.60 2.07 -1.33 -3.33 116.25 118.96 3jx5 h VAL 595 Ca -0.03 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 3jx5 h VAL 595 Cb 1.28 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3jx5 h VAL 595 CO 0.13 0.13 -0.09 0.03 0.02 0.00 0.00 177.57 177.78 3jx5 h ARG 596 N -1.00 0.00 -0.61 1.57 2.47 -1.58 -2.15 114.38 113.08 3jx5 h ARG 596 Ca -0.08 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 3jx5 h ARG 596 Cb 0.62 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 3jx5 h ARG 596 CO -0.05 0.60 -0.00 -0.91 0.56 0.00 0.00 179.97 180.17 3jx5 h ASN 597 N -1.00 1.05 0.17 7.04 2.35 -1.18 -2.73 115.58 121.27 3jx5 h ASN 597 Ca -0.02 -0.30 -0.36 0.00 -0.55 0.00 0.00 56.30 55.07 3jx5 h ASN 597 Cb 0.64 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3jx5 h ASN 597 CO -0.01 1.09 -1.94 1.88 -1.65 0.00 0.00 177.43 176.80 3jx5 h TYR 598 N 0.97 0.47 0.00 1.19 0.99 -1.41 -1.71 116.97 117.48 3jx5 h TYR 598 Ca 0.17 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.56 3jx5 h TYR 598 Cb 0.56 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.27 3jx5 h TYR 598 CO 0.04 1.71 -1.45 0.00 -0.00 0.00 0.00 178.16 178.46 3jx5 n ASP 600 N -1.86 1.78 0.24 0.00 10.43 -1.03 -4.65 116.55 121.46 3jx5 n ASP 600 Ca -0.01 1.14 0.08 0.00 2.57 0.00 0.00 54.79 58.57 3jx5 n ASP 600 Cb 0.38 -1.38 0.58 0.00 1.84 0.00 0.00 41.12 42.55 3jx5 n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jx5 h ASN 601 N 2.01 0.00 -0.16 -2.24 4.21 -1.91 -2.76 115.58 114.73 3jx5 h ASN 601 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3jx5 h ASN 601 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 3jx5 h ASN 601 CO 0.60 0.18 0.00 -1.20 -1.29 0.00 0.00 177.43 175.71 3jx5 n SER 602 N -4.01 1.57 0.00 5.81 7.64 -1.26 -4.76 113.62 118.60 3jx5 n SER 602 Ca -0.02 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3jx5 n SER 602 Cb 0.26 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3jx5 n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jx5 n ARG 603 N 0.26 1.15 0.24 1.43 5.12 -1.06 -4.03 116.66 119.78 3jx5 n ARG 603 Ca 0.16 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.23 3jx5 n ARG 603 Cb 0.31 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.11 3jx5 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx5 h TYR 604 N 0.00 0.00 -6.35 -1.55 -1.99 -1.42 -3.41 116.97 102.25 3jx5 h TYR 604 Ca 0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 3jx5 h TYR 604 Cb 0.00 0.00 0.07 0.00 2.00 0.00 0.00 36.73 38.80 3jx5 h TYR 604 CO 0.00 0.00 -0.94 -1.71 -0.00 0.00 0.00 178.16 175.51 3jx5 n ASN 605 N -3.01 -5.17 -0.76 3.88 4.05 0.17 -4.89 115.26 109.53 3jx5 n ASN 605 Ca 0.02 -1.05 0.12 0.00 0.45 0.00 0.00 54.58 54.11 3jx5 n ASN 605 Cb 0.38 -3.07 0.07 0.00 1.23 0.00 0.00 39.78 38.39 3jx5 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx5 n ILE 606 N -4.27 0.00 -0.11 -1.44 -5.35 -0.58 -4.59 119.36 103.02 3jx5 n ILE 606 Ca -0.10 -0.40 -0.05 0.00 -0.27 0.00 0.00 62.75 61.94 3jx5 n ILE 606 Cb 0.59 1.37 0.02 0.00 -1.74 0.00 0.00 39.64 39.87 3jx5 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx5 h LEU 607 N 3.73 -0.30 0.64 7.28 3.38 -1.87 -0.67 115.31 127.50 3jx5 h LEU 607 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3jx5 h LEU 607 Cb 0.89 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3jx5 h LEU 607 CO 0.00 -0.10 -0.48 -0.33 0.09 0.00 0.00 178.44 177.62 3jx5 h GLU 608 N 0.03 -1.04 -0.88 1.13 5.08 -1.99 0.82 114.58 117.73 3jx5 h GLU 608 Ca 0.19 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.80 3jx5 h GLU 608 Cb 0.28 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.66 3jx5 h GLU 608 CO -0.37 -0.70 0.43 1.49 -1.00 0.00 0.00 179.01 178.86 3jx5 h GLU 609 N -1.08 0.52 -0.27 2.33 4.81 -1.78 0.28 114.58 119.38 3jx5 h GLU 609 Ca -0.08 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3jx5 h GLU 609 Cb 0.90 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3jx5 h GLU 609 CO 0.02 0.34 -0.07 0.28 -0.73 0.00 0.00 179.01 178.86 3jx5 h VAL 610 N 0.54 1.28 -0.19 0.32 2.07 -0.86 -2.54 116.25 116.87 3jx5 h VAL 610 Ca 0.51 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3jx5 h VAL 610 Cb 0.84 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3jx5 h VAL 610 CO -0.43 0.34 -0.10 0.00 0.02 0.00 0.00 177.57 177.40 3jx5 h ALA 611 N 0.77 1.48 0.80 1.67 0.00 0.83 -0.42 119.26 124.38 3jx5 h ALA 611 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3jx5 h ALA 611 Cb 0.54 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3jx5 h ALA 611 CO 0.03 0.37 -0.40 0.87 0.00 0.00 0.00 179.25 180.11 3jx5 h LYS 612 N 0.29 -1.06 -0.08 0.00 1.57 -0.48 -2.18 116.57 114.62 3jx5 h LYS 612 Ca 0.06 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3jx5 h LYS 612 Cb 0.36 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3jx5 h LYS 612 CO 0.02 -0.71 0.07 0.87 -0.57 0.00 0.00 179.45 179.13 3jx5 h LYS 613 N -1.10 0.00 -0.00 3.15 1.79 -1.19 0.10 116.57 119.32 3jx5 h LYS 613 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3jx5 h LYS 613 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3jx5 h LYS 613 CO 0.17 0.00 -0.03 -1.33 -1.08 0.00 0.00 179.45 177.18 3jx5 n MET 614 N -4.23 0.92 -3.98 3.15 2.81 -0.19 -4.94 117.12 110.66 3jx5 n MET 614 Ca -0.01 -0.19 -0.31 0.00 -1.81 0.00 0.00 57.70 55.38 3jx5 n MET 614 Cb 0.17 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.20 3jx5 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx5 n ASP 615 N -0.87 -4.23 -4.80 7.83 -0.08 0.36 -4.97 116.55 109.79 3jx5 n ASP 615 Ca 0.19 -0.84 -0.32 0.00 -1.51 0.00 0.00 54.79 52.32 3jx5 n ASP 615 Cb 0.21 -3.62 0.04 0.00 2.34 0.00 0.00 41.12 40.10 3jx5 n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3jx5 s LEU 616 N -7.25 3.27 -0.48 -2.67 1.43 -0.87 -4.96 118.68 107.16 3jx5 s LEU 616 Ca 0.64 1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 55.25 3jx5 s LEU 616 Cb -0.33 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.35 3jx5 s LEU 616 CO 0.85 -1.50 1.80 -0.62 0.23 0.00 0.00 176.35 177.12 3jx5 s ASP 617 N -3.18 5.61 0.00 2.29 3.68 -1.26 -4.85 116.67 118.95 3jx5 s ASP 617 Ca 0.62 0.79 0.20 0.00 2.13 0.00 0.00 52.55 56.30 3jx5 s ASP 617 Cb -0.16 -2.53 0.32 0.00 -1.45 0.00 0.00 42.92 39.09 3jx5 s ASP 617 CO 0.47 -2.03 1.28 0.23 0.13 0.00 0.00 175.17 175.25 3jx5 n MET 618 N 8.77 2.21 0.00 4.34 2.81 -1.26 -4.48 117.12 129.51 3jx5 n MET 618 Ca 0.21 -2.03 0.13 0.00 -1.81 0.00 0.00 57.70 54.21 3jx5 n MET 618 Cb 0.50 -1.44 0.49 0.00 -0.71 0.00 0.00 33.22 32.06 3jx5 n MET 618 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3jx5 n ARG 619 N 1.25 0.68 -3.71 0.03 1.74 -1.26 -4.71 116.66 110.69 3jx5 n ARG 619 Ca 0.16 -0.32 -0.15 0.00 -0.77 0.00 0.00 57.85 56.77 3jx5 n ARG 619 Cb 0.54 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 3jx5 n ARG 619 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3jx5 s LYS 620 N -2.54 0.09 0.61 5.56 -2.85 -1.26 -5.02 119.74 114.33 3jx5 s LYS 620 Ca 0.25 0.50 0.28 0.00 -1.00 0.00 0.00 55.97 56.01 3jx5 s LYS 620 Cb 0.19 -0.19 1.45 0.00 -2.06 0.00 0.00 37.83 37.23 3jx5 s LYS 620 CO 0.51 -0.23 1.86 1.79 0.10 0.00 0.00 175.35 179.38 3jx5 h THR 621 N 6.18 0.27 0.00 3.79 1.35 -1.91 0.13 112.91 122.72 3jx5 h THR 621 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3jx5 h THR 621 Cb 1.13 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3jx5 h THR 621 CO 0.28 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.01 3jx5 n SER 622 N -3.50 0.00 0.01 5.36 3.41 -1.26 -1.07 113.62 116.56 3jx5 n SER 622 Ca 0.07 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3jx5 n SER 622 Cb 0.66 -0.43 0.51 0.00 -0.26 0.00 0.00 64.21 64.68 3jx5 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx5 n SER 623 N -1.43 0.05 -2.62 4.04 3.41 0.03 -4.91 113.62 112.19 3jx5 n SER 623 Ca 0.04 0.51 -0.21 0.00 -0.26 0.00 0.00 58.87 58.95 3jx5 n SER 623 Cb 0.13 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3jx5 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx5 n LEU 624 N -1.55 -2.36 -0.05 1.04 4.77 -0.23 -4.89 117.00 113.74 3jx5 n LEU 624 Ca 0.06 -0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3jx5 n LEU 624 Cb 0.29 -2.83 0.28 0.00 -2.33 0.00 0.00 43.42 38.83 3jx5 n LEU 624 CO 0.23 0.06 1.00 4.11 -1.33 0.00 0.00 177.39 181.46 3jx5 h TRP 625 N -0.82 0.65 -0.30 -1.77 5.08 -1.81 -0.71 115.95 116.27 3jx5 h TRP 625 Ca -0.49 -0.05 -0.03 0.00 1.08 0.00 0.00 58.89 59.40 3jx5 h TRP 625 Cb 1.35 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.30 3jx5 h TRP 625 CO 0.51 0.56 0.06 0.87 -1.28 0.00 0.00 178.44 179.15 3jx5 h LYS 626 N 0.62 0.48 -0.43 0.12 1.57 -1.90 -0.83 116.57 116.21 3jx5 h LYS 626 Ca 0.14 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3jx5 h LYS 626 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3jx5 h LYS 626 CO -0.00 0.57 0.13 -0.44 -0.57 0.00 0.00 179.45 179.14 3jx5 h ASP 627 N 0.31 0.57 -0.05 0.86 5.19 -1.80 -0.26 116.42 121.24 3jx5 h ASP 627 Ca 0.09 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 3jx5 h ASP 627 Cb 0.31 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 3jx5 h ASP 627 CO 0.00 0.55 -0.04 1.56 -3.12 0.00 0.00 179.24 178.19 3jx5 h GLN 628 N 0.61 0.11 -0.85 3.56 4.20 -0.83 -2.71 115.11 119.20 3jx5 h GLN 628 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3jx5 h GLN 628 Cb 0.19 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 3jx5 h GLN 628 CO -0.01 0.55 0.45 0.00 -0.67 0.00 0.00 178.83 179.16 3jx5 h ALA 629 N 0.55 1.09 -0.78 3.87 0.00 -1.04 -2.63 119.26 120.31 3jx5 h ALA 629 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3jx5 h ALA 629 Cb 0.53 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3jx5 h ALA 629 CO 0.01 0.61 0.51 1.25 0.00 0.00 0.00 179.25 181.63 3jx5 h LEU 630 N 1.19 0.91 -0.58 0.00 5.85 -1.03 -1.55 115.31 120.11 3jx5 h LEU 630 Ca 0.30 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3jx5 h LEU 630 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3jx5 h LEU 630 CO -0.05 0.68 0.05 0.58 -0.34 0.00 0.00 178.44 179.36 3jx5 h VAL 631 N 1.07 1.26 -0.63 1.05 2.07 -1.32 -2.46 116.25 117.29 3jx5 h VAL 631 Ca 0.29 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3jx5 h VAL 631 Cb -0.10 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3jx5 h VAL 631 CO -0.06 0.38 0.26 -0.33 0.02 0.00 0.00 177.57 177.85 3jx5 h GLU 632 N 0.87 0.93 -0.50 1.57 4.39 -1.06 -0.89 114.58 119.90 3jx5 h GLU 632 Ca 0.17 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3jx5 h GLU 632 Cb 0.48 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3jx5 h GLU 632 CO 0.02 0.77 0.28 0.82 -1.16 0.00 0.00 179.01 179.74 3jx5 h ILE 633 N 0.87 1.17 0.00 3.13 2.04 -1.28 -1.11 117.51 122.33 3jx5 h ILE 633 Ca 0.21 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3jx5 h ILE 633 Cb 0.18 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3jx5 h ILE 633 CO -0.02 0.18 -0.27 0.78 0.00 0.00 0.00 178.15 178.82 3jx5 h ASN 634 N 0.66 0.00 -0.29 1.72 2.35 -1.23 -0.96 115.58 117.83 3jx5 h ASN 634 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3jx5 h ASN 634 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3jx5 h ASN 634 CO -0.03 0.27 -0.05 0.40 -1.65 0.00 0.00 177.43 176.37 3jx5 h ILE 635 N 0.00 1.27 -0.62 2.81 2.04 -0.64 -2.73 117.51 119.64 3jx5 h ILE 635 Ca -0.00 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3jx5 h ILE 635 Cb 0.51 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3jx5 h ILE 635 CO 0.03 0.33 0.41 0.00 0.00 0.00 0.00 178.15 178.93 3jx5 h ALA 636 N 0.80 0.78 -0.18 1.87 0.00 -0.69 -0.45 119.26 121.39 3jx5 h ALA 636 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jx5 h ALA 636 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3jx5 h ALA 636 CO 0.02 0.21 0.07 0.28 0.00 0.00 0.00 179.25 179.84 3jx5 h VAL 637 N 0.83 1.16 -0.49 0.00 2.07 -1.14 -0.28 116.25 118.41 3jx5 h VAL 637 Ca 0.23 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 3jx5 h VAL 637 Cb -0.09 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3jx5 h VAL 637 CO -0.05 0.15 -0.14 -0.07 0.02 0.00 0.00 177.57 177.48 3jx5 h LEU 638 N 0.14 0.93 -1.10 2.57 3.38 -1.34 -2.42 115.31 117.47 3jx5 h LEU 638 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3jx5 h LEU 638 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3jx5 h LEU 638 CO -0.01 1.06 0.41 0.22 0.09 0.00 0.00 178.44 180.22 3jx5 h TYR 639 N 0.82 1.02 -0.05 1.13 3.20 -0.88 -1.73 116.97 120.47 3jx5 h TYR 639 Ca 0.13 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3jx5 h TYR 639 Cb 0.68 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3jx5 h TYR 639 CO 0.04 0.70 -0.29 0.77 -1.64 0.00 0.00 178.16 177.74 3jx5 h SER 640 N 1.05 0.34 0.08 -2.11 0.02 -0.77 -2.41 113.55 109.74 3jx5 h SER 640 Ca 0.27 -0.67 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3jx5 h SER 640 Cb 0.02 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3jx5 h SER 640 CO -0.04 0.96 -0.05 -0.26 -1.14 0.00 0.00 176.83 176.30 3jx5 h PHE 641 N -0.25 -0.12 -0.77 3.45 -1.00 -1.41 -2.11 116.94 114.74 3jx5 h PHE 641 Ca -0.02 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.81 3jx5 h PHE 641 Cb 0.96 0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.51 3jx5 h PHE 641 CO 0.14 -0.07 0.47 1.96 -1.61 0.00 0.00 178.31 179.19 3jx5 h GLN 642 N -0.12 0.85 -0.37 1.51 4.20 -1.35 -0.83 115.11 119.01 3jx5 h GLN 642 Ca -0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3jx5 h GLN 642 Cb 0.10 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3jx5 h GLN 642 CO 0.01 0.56 -0.05 0.77 -0.67 0.00 0.00 178.83 179.45 3jx5 h SER 643 N 0.87 0.58 -0.14 1.46 0.02 -1.35 -1.98 113.55 113.02 3jx5 h SER 643 Ca 0.33 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3jx5 h SER 643 Cb 0.12 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3jx5 h SER 643 CO -0.15 0.68 0.00 0.47 -1.14 0.00 0.00 176.83 176.68 3jx5 n ASP 644 N -4.23 1.56 -3.42 3.07 8.00 -0.80 -4.93 116.55 115.80 3jx5 n ASP 644 Ca 0.01 -1.67 -0.24 0.00 0.71 0.00 0.00 54.79 53.61 3jx5 n ASP 644 Cb 0.29 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3jx5 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx5 n LYS 645 N 0.25 -6.82 -3.67 -1.24 5.02 -0.47 -4.99 118.16 106.24 3jx5 n LYS 645 Ca 0.16 0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 56.94 3jx5 n LYS 645 Cb 0.32 -5.83 -0.08 0.00 -0.02 0.00 0.00 35.03 29.42 3jx5 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx5 s VAL 646 N -3.27 5.37 0.19 -0.18 1.01 -0.44 -4.30 120.40 118.78 3jx5 s VAL 646 Ca 0.50 0.25 -0.33 0.00 0.00 0.00 0.00 61.98 62.40 3jx5 s VAL 646 Cb -0.22 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.51 3jx5 s VAL 646 CO 0.61 0.40 1.53 0.41 0.00 0.00 0.00 175.10 178.06 3jx5 n THR 647 N 3.79 0.32 -3.68 3.92 -1.04 0.16 -4.30 114.28 113.45 3jx5 n THR 647 Ca -0.15 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.05 61.66 3jx5 n THR 647 Cb 0.52 -1.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.41 3jx5 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx5 s ILE 648 N 0.60 0.06 -0.02 12.58 2.07 -1.26 -4.40 121.20 130.83 3jx5 s ILE 648 Ca 0.75 -0.53 0.05 0.00 -1.41 0.00 0.00 60.65 59.50 3jx5 s ILE 648 Cb -0.66 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 40.94 3jx5 s ILE 648 CO 0.42 -0.29 -0.15 0.54 -1.91 0.00 0.00 174.94 173.54 3jx5 s VAL 649 N -2.68 1.23 0.64 4.00 0.11 -0.41 -4.99 120.40 118.31 3jx5 s VAL 649 Ca -0.04 -0.65 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 3jx5 s VAL 649 Cb -0.00 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 3jx5 s VAL 649 CO -0.04 0.35 1.05 1.51 -3.33 0.00 0.00 175.10 174.64 3jx5 s ASP 650 N -0.26 6.02 0.42 3.54 -4.77 -1.26 -0.29 116.67 120.06 3jx5 s ASP 650 Ca 0.04 1.33 0.19 0.00 -3.30 0.00 0.00 52.55 50.81 3jx5 s ASP 650 Cb -0.07 -2.32 0.93 0.00 -1.09 0.00 0.00 42.92 40.37 3jx5 s ASP 650 CO -0.00 -1.00 1.87 1.12 0.70 0.00 0.00 175.17 177.87 3jx5 h HIS 651 N -0.41 0.00 -0.13 2.11 2.07 -1.98 -1.47 115.15 115.35 3jx5 h HIS 651 Ca -0.44 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.05 3jx5 h HIS 651 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 3jx5 h HIS 651 CO 0.62 0.29 -0.04 0.45 -3.07 0.00 0.00 177.93 176.17 3jx5 h HIS 652 N 0.00 0.29 -0.45 6.12 3.86 -1.96 -2.07 115.15 120.93 3jx5 h HIS 652 Ca -0.00 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3jx5 h HIS 652 Cb 0.63 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3jx5 h HIS 652 CO 0.00 0.57 0.10 1.03 0.86 0.00 0.00 177.93 180.50 3jx5 h SER 653 N -0.07 0.69 -0.48 2.45 0.87 -1.93 -2.10 113.55 112.98 3jx5 h SER 653 Ca 0.03 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 3jx5 h SER 653 Cb 0.48 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3jx5 h SER 653 CO 0.02 0.75 -0.11 0.00 -0.53 0.00 0.00 176.83 176.96 3jx5 h ALA 654 N 0.97 0.67 -0.37 6.23 0.00 -1.31 -1.55 119.26 123.89 3jx5 h ALA 654 Ca 0.14 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3jx5 h ALA 654 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jx5 h ALA 654 CO 0.00 0.57 -0.39 1.79 0.00 0.00 0.00 179.25 181.21 3jx5 h THR 655 N 0.78 1.27 -0.77 0.00 1.35 -1.37 -1.53 112.91 112.64 3jx5 h THR 655 Ca 0.12 -1.57 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3jx5 h THR 655 Cb 0.66 1.40 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 3jx5 h THR 655 CO 0.05 0.52 0.47 -0.08 -0.25 0.00 0.00 175.52 176.23 3jx5 h GLU 656 N 0.74 1.03 -0.35 4.72 4.81 -1.30 -2.00 114.58 122.23 3jx5 h GLU 656 Ca 0.06 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3jx5 h GLU 656 Cb 0.98 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3jx5 h GLU 656 CO 0.10 0.72 -0.27 0.77 -0.73 0.00 0.00 179.01 179.60 3jx5 h SER 657 N 1.05 0.75 -0.64 1.04 0.02 -1.19 -2.77 113.55 111.81 3jx5 h SER 657 Ca 0.28 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3jx5 h SER 657 Cb -0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3jx5 h SER 657 CO -0.05 0.98 0.32 0.15 -1.14 0.00 0.00 176.83 177.08 3jx5 h PHE 658 N 0.63 0.93 -0.55 3.45 3.57 -1.03 0.21 116.94 124.15 3jx5 h PHE 658 Ca 0.08 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3jx5 h PHE 658 Cb 0.78 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3jx5 h PHE 658 CO 0.04 0.68 0.26 0.82 -2.23 0.00 0.00 178.31 177.88 3jx5 h ILE 659 N 0.94 1.21 -0.52 1.41 1.08 -1.19 0.20 117.51 120.63 3jx5 h ILE 659 Ca 0.23 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3jx5 h ILE 659 Cb 0.10 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3jx5 h ILE 659 CO -0.03 0.23 0.21 0.11 -0.69 0.00 0.00 178.15 177.98 3jx5 h LYS 660 N 0.75 0.77 -0.34 2.37 1.57 -1.19 -1.21 116.57 119.28 3jx5 h LYS 660 Ca 0.19 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3jx5 h LYS 660 Cb 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3jx5 h LYS 660 CO -0.02 0.68 0.12 1.25 -0.57 0.00 0.00 179.45 180.91 3jx5 h HIS 661 N 0.69 0.22 -0.36 -1.35 2.76 -0.31 -2.08 115.15 114.72 3jx5 h HIS 661 Ca 0.17 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3jx5 h HIS 661 Cb 0.19 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3jx5 h HIS 661 CO 0.00 0.09 0.18 1.98 -1.30 0.00 0.00 177.93 178.89 3jx5 h MET 662 N 0.27 0.52 -0.31 5.26 -1.53 -0.28 0.35 114.93 119.20 3jx5 h MET 662 Ca 0.15 -0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.32 3jx5 h MET 662 Cb 0.13 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3jx5 h MET 662 CO -0.16 0.45 0.10 0.93 0.14 0.00 0.00 176.91 178.38 3jx5 h GLU 663 N 0.45 0.49 -0.57 0.39 5.08 -1.11 -1.87 114.58 117.44 3jx5 h GLU 663 Ca 0.13 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3jx5 h GLU 663 Cb 0.10 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3jx5 h GLU 663 CO -0.02 0.53 0.21 -0.97 -1.00 0.00 0.00 179.01 177.76 3jx5 h ASN 664 N 0.35 0.20 -0.67 1.42 -1.24 -1.09 -1.99 115.58 112.56 3jx5 h ASN 664 Ca 0.10 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3jx5 h ASN 664 Cb 0.24 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 3jx5 h ASN 664 CO -0.00 0.13 0.44 -0.33 -1.29 0.00 0.00 177.43 176.38 3jx5 h GLU 665 N 0.39 0.89 -0.49 6.67 4.39 -0.65 -0.83 114.58 124.95 3jx5 h GLU 665 Ca 0.28 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 3jx5 h GLU 665 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3jx5 h GLU 665 CO -0.28 0.60 0.15 1.88 -1.16 0.00 0.00 179.01 180.20 3jx5 h TYR 666 N 0.92 0.79 0.29 4.33 -1.99 -0.93 0.47 116.97 120.85 3jx5 h TYR 666 Ca 0.25 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3jx5 h TYR 666 Cb -0.09 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.41 3jx5 h TYR 666 CO 0.00 0.69 -0.14 0.00 -0.00 0.00 0.00 178.16 178.72 3jx5 h ARG 667 N 0.66 -0.37 0.14 4.88 3.08 -0.89 -2.28 114.38 119.60 3jx5 h ARG 667 Ca 0.16 0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.93 3jx5 h ARG 667 Cb 0.28 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3jx5 h ARG 667 CO -0.00 -0.09 -1.50 0.00 -1.07 0.00 0.00 179.97 177.31 3jx5 n ARG 669 N -3.50 0.61 -0.77 0.00 0.63 0.10 -5.00 116.66 108.72 3jx5 n ARG 669 Ca -0.16 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.62 3jx5 n ARG 669 Cb 1.05 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 32.51 3jx5 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx5 n GLY 670 N 1.42 0.61 0.00 5.14 0.00 -0.82 -4.63 105.19 106.91 3jx5 n GLY 670 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3jx5 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx5 n GLY 671 N -2.77 1.41 2.83 -0.02 0.00 -1.09 -0.55 105.19 105.01 3jx5 n GLY 671 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 3jx5 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx5 s PRO 673 N 2.45 4.46 -0.08 0.00 0.04 -1.26 -4.63 135.00 135.98 3jx5 s PRO 673 Ca 0.10 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.95 3jx5 s PRO 673 Cb -0.15 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.15 3jx5 s PRO 673 CO -0.22 -0.16 0.19 0.00 0.04 0.00 0.00 177.00 176.85 3jx5 s ALA 674 N 0.32 -0.45 -0.46 8.56 0.00 -0.12 -4.22 121.76 125.39 3jx5 s ALA 674 Ca 0.55 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3jx5 s ALA 674 Cb -0.32 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.50 3jx5 s ALA 674 CO 0.34 -0.12 0.35 0.34 0.00 0.00 0.00 175.76 176.67 3jx5 s ASP 675 N 0.46 5.90 0.21 0.00 -1.08 0.07 -3.67 116.67 118.56 3jx5 s ASP 675 Ca -0.03 -1.53 -0.09 0.00 -0.52 0.00 0.00 52.55 50.38 3jx5 s ASP 675 Cb -0.04 -2.09 0.26 0.00 -1.46 0.00 0.00 42.92 39.59 3jx5 s ASP 675 CO -0.02 -0.64 1.79 -0.25 0.52 0.00 0.00 175.17 176.57 3jx5 h TRP 676 N 8.60 0.63 -0.81 -5.34 7.01 -1.92 0.36 115.95 124.48 3jx5 h TRP 676 Ca -0.26 0.03 0.18 0.00 2.11 0.00 0.00 58.89 60.95 3jx5 h TRP 676 Cb 1.09 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.92 3jx5 h TRP 676 CO 0.64 0.27 0.55 0.28 -2.79 0.00 0.00 178.44 177.39 3jx5 h VAL 677 N 0.63 0.72 0.03 2.65 2.07 -1.93 -2.21 116.25 118.20 3jx5 h VAL 677 Ca 0.31 -0.12 -0.37 0.00 0.82 0.00 0.00 66.70 67.35 3jx5 h VAL 677 Cb 0.25 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3jx5 h VAL 677 CO -0.21 0.06 -2.24 0.79 0.02 0.00 0.00 177.57 175.99 3jx5 n TRP 678 N -4.46 0.44 -0.10 1.57 7.02 -0.34 -4.48 117.44 117.09 3jx5 n TRP 678 Ca 0.16 0.11 -0.08 0.00 -1.02 0.00 0.00 57.50 56.68 3jx5 n TRP 678 Cb 0.65 -1.06 0.08 0.00 -2.42 0.00 0.00 31.31 28.55 3jx5 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx5 h ILE 679 N 0.02 1.27 -3.01 -0.99 1.08 -0.76 -3.43 117.51 111.68 3jx5 h ILE 679 Ca -0.50 -1.33 -0.54 0.00 -0.39 0.00 0.00 64.86 62.10 3jx5 h ILE 679 Cb 2.03 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 3jx5 h ILE 679 CO 0.00 0.45 0.73 -0.69 -0.69 0.00 0.00 178.15 177.95 3jx5 s VAL 680 N -4.63 3.76 0.73 1.67 1.01 -0.85 -4.93 120.40 117.16 3jx5 s VAL 680 Ca -0.10 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 3jx5 s VAL 680 Cb 0.13 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.77 3jx5 s VAL 680 CO 0.84 0.04 1.13 -2.84 0.00 0.00 0.00 175.10 174.27 3jx5 s PRO 681 N 1.80 2.35 0.00 2.72 0.02 -1.26 -4.93 135.00 135.70 3jx5 s PRO 681 Ca 0.62 1.44 0.31 0.00 0.02 0.00 0.00 61.00 63.39 3jx5 s PRO 681 Cb -0.31 -1.89 1.81 0.00 0.02 0.00 0.00 34.50 34.13 3jx5 s PRO 681 CO 0.27 -1.61 2.17 -0.35 -0.33 0.00 0.00 177.00 177.15 3jx5 n PRO 682 N -2.92 1.03 -4.15 5.54 -0.04 -1.26 -4.22 135.00 128.97 3jx5 n PRO 682 Ca 0.11 -0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 3jx5 n PRO 682 Cb 0.52 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3jx5 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx5 s MET 683 N -2.00 0.78 -1.65 0.54 0.23 -1.26 -4.91 119.30 111.04 3jx5 s MET 683 Ca 0.46 -1.01 0.00 0.00 -1.03 0.00 0.00 55.69 54.11 3jx5 s MET 683 Cb 0.21 -0.60 0.00 0.00 -1.53 0.00 0.00 34.83 32.91 3jx5 s MET 683 CO 0.36 0.11 0.00 0.43 -2.03 0.00 0.00 175.02 173.89 3jx5 n SER 684 N 0.98 -5.04 0.00 -1.18 7.64 -1.26 -4.89 113.62 109.87 3jx5 n SER 684 Ca -0.19 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3jx5 n SER 684 Cb 0.56 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 3jx5 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx5 n GLY 685 N -0.94 -1.46 0.10 0.23 0.00 -1.26 -2.25 105.19 99.60 3jx5 n GLY 685 Ca -0.19 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.22 3jx5 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx5 n SER 686 N -2.14 0.50 -0.32 1.61 3.41 -1.26 -1.79 113.62 113.63 3jx5 n SER 686 Ca 0.00 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3jx5 n SER 686 Cb 0.00 -0.73 0.49 0.00 -0.26 0.00 0.00 64.21 63.71 3jx5 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx5 n ILE 687 N -2.05 0.10 -3.91 -1.33 -5.35 -0.96 -4.77 119.36 101.09 3jx5 n ILE 687 Ca 0.02 -0.20 -0.33 0.00 -0.27 0.00 0.00 62.75 61.98 3jx5 n ILE 687 Cb 0.21 0.10 -0.05 0.00 -1.74 0.00 0.00 39.64 38.17 3jx5 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx5 s THR 688 N -1.90 5.40 -0.25 7.28 -4.23 -0.74 -5.02 115.64 116.18 3jx5 s THR 688 Ca 0.32 -0.21 0.27 0.00 -1.18 0.00 0.00 61.69 60.89 3jx5 s THR 688 Cb 0.16 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.76 3jx5 s THR 688 CO 0.26 0.30 1.81 1.55 -0.54 0.00 0.00 174.62 177.99 3jx5 h PRO 689 N 3.70 0.00 -0.20 3.99 0.13 -1.86 -3.13 132.00 134.63 3jx5 h PRO 689 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 3jx5 h PRO 689 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jx5 h PRO 689 CO 0.70 0.00 -0.60 -0.39 -0.23 0.00 0.00 178.00 177.48 3jx5 h VAL 690 N 0.00 1.31 -1.05 1.56 -1.51 -1.89 -3.18 116.25 111.49 3jx5 h VAL 690 Ca 0.00 -1.84 0.32 0.00 -1.23 0.00 0.00 66.70 63.95 3jx5 h VAL 690 Cb 0.35 1.79 -0.14 0.00 -2.13 0.00 0.00 31.29 31.16 3jx5 h VAL 690 CO 0.00 0.58 0.63 0.15 -1.23 0.00 0.00 177.57 177.69 3jx5 h PHE 691 N 0.50 0.85 -0.02 5.19 3.57 -1.76 -0.06 116.94 125.21 3jx5 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jx5 h PHE 691 Cb 1.18 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3jx5 h PHE 691 CO 0.06 -0.13 -0.11 0.72 -2.23 0.00 0.00 178.31 176.63 3jx5 n HIS 692 N -4.93 0.00 -3.12 0.41 8.25 -1.20 -4.81 115.22 109.81 3jx5 n HIS 692 Ca 0.31 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.35 3jx5 n HIS 692 Cb 1.01 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 32.02 3jx5 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx5 s GLN 693 N -2.17 3.54 0.54 -0.41 2.00 -0.04 -0.65 119.66 122.46 3jx5 s GLN 693 Ca 0.31 -0.11 -0.22 0.00 -2.00 0.00 0.00 55.36 53.34 3jx5 s GLN 693 Cb 0.20 -3.86 -0.05 0.00 0.80 0.00 0.00 33.01 30.10 3jx5 s GLN 693 CO 0.40 -0.82 1.32 -1.21 -0.50 0.00 0.00 175.29 174.47 3jx5 s GLU 694 N 2.72 3.22 -0.02 1.67 2.02 -0.86 -5.00 118.70 122.45 3jx5 s GLU 694 Ca 0.23 2.14 -0.07 0.00 0.02 0.00 0.00 54.97 57.29 3jx5 s GLU 694 Cb -0.14 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.83 3jx5 s GLU 694 CO 0.16 -1.10 0.16 -1.64 0.02 0.00 0.00 175.26 172.86 3jx5 s MET 695 N -2.90 0.41 -0.09 1.61 -1.94 -1.26 -4.65 119.30 110.48 3jx5 s MET 695 Ca 0.71 -0.20 0.02 0.00 -1.71 0.00 0.00 55.69 54.51 3jx5 s MET 695 Cb -0.38 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.62 3jx5 s MET 695 CO 0.45 -0.09 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.72 3jx5 s LEU 696 N -0.95 2.72 -0.14 -0.03 1.43 -1.26 -4.93 118.68 115.52 3jx5 s LEU 696 Ca -0.10 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3jx5 s LEU 696 Cb -0.06 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3jx5 s LEU 696 CO 0.01 0.25 -0.11 0.21 0.23 0.00 0.00 176.35 176.95 3jx5 s ASN 697 N -0.18 4.18 0.23 2.29 3.04 -1.24 -0.94 114.94 122.31 3jx5 s ASN 697 Ca -0.00 -0.30 -0.22 0.00 0.04 0.00 0.00 52.86 52.39 3jx5 s ASN 697 Cb -0.13 -1.65 0.04 0.00 -1.54 0.00 0.00 41.25 37.96 3jx5 s ASN 697 CO 0.03 0.15 0.66 -0.72 -3.04 0.00 0.00 177.10 174.18 3jx5 s TYR 698 N 0.45 -0.32 -0.37 0.43 -0.85 -1.26 -4.97 117.35 110.45 3jx5 s TYR 698 Ca -0.08 -0.03 -0.12 0.00 -0.52 0.00 0.00 57.07 56.32 3jx5 s TYR 698 Cb -0.15 0.62 0.01 0.00 0.38 0.00 0.00 41.96 42.82 3jx5 s TYR 698 CO 0.04 -1.06 0.22 1.03 -1.52 0.00 0.00 175.55 174.27 3jx5 s ARG 699 N -3.85 3.04 0.09 -3.49 0.52 -1.26 -4.83 118.95 109.17 3jx5 s ARG 699 Ca 0.07 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3jx5 s ARG 699 Cb -0.04 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 3jx5 s ARG 699 CO -0.02 -0.63 0.25 -0.51 0.02 0.00 0.00 175.30 174.42 3jx5 s LEU 700 N 1.62 4.33 0.10 2.53 1.43 -1.26 -3.34 118.68 124.09 3jx5 s LEU 700 Ca 0.04 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 3jx5 s LEU 700 Cb -0.18 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3jx5 s LEU 700 CO 0.08 0.13 -0.08 0.42 0.23 0.00 0.00 176.35 177.13 3jx5 s THR 701 N -1.57 3.50 0.78 5.49 -4.23 -1.26 -4.16 115.64 114.19 3jx5 s THR 701 Ca 0.36 -1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 59.55 3jx5 s THR 701 Cb -0.13 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.15 3jx5 s THR 701 CO 0.27 0.13 1.18 -2.84 -0.54 0.00 0.00 174.62 172.83 3jx5 s PRO 702 N -2.17 1.88 0.14 3.99 0.02 -1.26 -5.02 135.00 132.57 3jx5 s PRO 702 Ca 0.22 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3jx5 s PRO 702 Cb -0.11 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.62 3jx5 s PRO 702 CO 0.14 -2.01 0.41 -1.54 -0.33 0.00 0.00 177.00 173.67 3jx5 s SER 703 N -2.32 -0.20 -0.10 2.53 1.04 -0.88 -3.76 113.70 110.02 3jx5 s SER 703 Ca 0.71 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 3jx5 s SER 703 Cb -0.26 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 3jx5 s SER 703 CO 0.49 -0.90 0.38 -0.36 0.98 0.00 0.00 173.24 173.84 3jx5 s PHE 704 N -3.84 3.56 0.17 5.02 0.40 -1.26 -0.81 117.98 121.22 3jx5 s PHE 704 Ca 0.06 0.80 0.07 0.00 -0.60 0.00 0.00 56.93 57.25 3jx5 s PHE 704 Cb 0.01 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 3jx5 s PHE 704 CO -0.09 0.34 -0.14 -1.21 0.70 0.00 0.00 175.22 174.82 3jx5 s GLU 705 N 0.05 1.22 0.65 0.44 0.41 0.11 -4.91 118.70 116.66 3jx5 s GLU 705 Ca 0.21 -1.47 -0.12 0.00 -0.41 0.00 0.00 54.97 53.19 3jx5 s GLU 705 Cb -0.15 -1.03 -0.02 0.00 -1.78 0.00 0.00 34.13 31.16 3jx5 s GLU 705 CO 0.09 0.18 1.04 0.71 -0.49 0.00 0.00 175.26 176.79 3jx5 s TYR 706 N -2.73 3.30 0.02 1.61 1.51 -1.26 -0.42 117.35 119.38 3jx5 s TYR 706 Ca 0.18 1.39 -0.09 0.00 -1.01 0.00 0.00 57.07 57.54 3jx5 s TYR 706 Cb -0.02 -2.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.01 3jx5 s TYR 706 CO 0.05 -0.97 0.18 1.14 -1.11 0.00 0.00 175.55 174.84 3jx5 s GLN 707 N -4.92 0.59 0.89 -0.62 -2.07 -1.26 -4.77 119.66 107.51 3jx5 s GLN 707 Ca 0.58 -0.49 -0.11 0.00 -1.82 0.00 0.00 55.36 53.51 3jx5 s GLN 707 Cb -0.13 0.25 0.13 0.00 -1.09 0.00 0.00 33.01 32.17 3jx5 s GLN 707 CO 0.51 -0.16 1.11 -1.25 -1.32 0.00 0.00 175.29 174.18 3jx5 s PRO 708 N -1.93 1.23 0.22 9.60 0.05 -1.26 -4.93 135.00 137.99 3jx5 s PRO 708 Ca -0.10 1.25 -0.30 0.00 0.05 0.00 0.00 61.00 61.89 3jx5 s PRO 708 Cb -0.04 -1.77 -0.10 0.00 0.05 0.00 0.00 34.50 32.64 3jx5 s PRO 708 CO -0.01 -2.39 1.43 -0.51 0.05 0.00 0.00 177.00 175.58 3jx5 s ASP 709 N -2.99 6.69 0.40 6.66 1.01 -1.26 -4.91 116.67 122.26 3jx5 s ASP 709 Ca 0.65 2.60 0.08 0.00 0.71 0.00 0.00 52.55 56.59 3jx5 s ASP 709 Cb -0.21 -2.62 0.84 0.00 1.01 0.00 0.00 42.92 41.95 3jx5 s ASP 709 CO 0.58 -0.68 2.01 -0.65 0.21 0.00 0.00 175.17 176.63 3jx5 h PRO 710 N 5.37 0.59 0.00 8.23 0.11 -1.91 -1.08 132.00 143.31 3jx5 h PRO 710 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx5 h PRO 710 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx5 h PRO 710 CO 0.80 0.39 0.00 0.11 -0.21 0.00 0.00 178.00 179.09 3jx5 h TRP 711 N 0.61 0.00 0.00 0.65 0.09 -1.95 0.14 115.95 115.49 3jx5 h TRP 711 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.21 3jx5 h TRP 711 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.40 3jx5 h TRP 711 CO -0.00 0.00 -0.17 -0.91 0.09 0.00 0.00 178.44 177.45 3jx5 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.57 -3.38 115.58 113.08 3jx5 h ASN 712 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3jx5 h ASN 712 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3jx5 h ASN 712 CO 0.00 0.01 -0.73 0.35 -1.65 0.00 0.00 177.43 175.41 3jx5 n THR 713 N -2.78 0.00 -2.11 2.81 -2.24 -0.80 -5.06 114.28 104.11 3jx5 n THR 713 Ca 0.04 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3jx5 n THR 713 Cb 0.50 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 3jx5 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3jx5 s HIS 714 N -1.57 3.17 -0.45 4.78 5.04 0.41 -4.97 115.29 121.69 3jx5 s HIS 714 Ca 0.00 0.98 -0.23 0.00 -1.54 0.00 0.00 55.06 54.27 3jx5 s HIS 714 Cb 0.00 -3.73 0.03 0.00 0.04 0.00 0.00 32.58 28.91 3jx5 s HIS 714 CO 0.00 -2.49 0.80 0.08 -2.34 0.00 0.00 174.74 170.78 3jx5 s VAL 715 N 0.60 4.64 0.36 0.89 1.01 -1.26 -5.01 120.40 121.63 3jx5 s VAL 715 Ca 0.62 0.47 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 3jx5 s VAL 715 Cb -0.39 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 3jx5 s VAL 715 CO 0.35 -0.71 1.08 0.26 0.00 0.00 0.00 175.10 176.08 3jx5 s TRP 716 N 3.32 3.35 -0.11 5.22 0.52 -1.26 -4.89 118.94 125.10 3jx5 s TRP 716 Ca 0.30 1.66 -0.00 0.00 0.02 0.00 0.00 56.10 58.08 3jx5 s TRP 716 Cb -0.12 -3.21 -0.07 0.00 -1.15 0.00 0.00 33.47 28.92 3jx5 s TRP 716 CO 0.23 -0.67 -0.10 1.63 0.02 0.00 0.00 176.95 178.06 3jx5 n LYS 717 N 0.38 0.26 -0.50 4.98 5.02 -1.26 -5.11 118.16 121.93 3jx5 n LYS 717 Ca 0.03 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3jx5 n LYS 717 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3jx5 n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29