#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 3.07 0.00 -0.14 0.40 -1.26 -4.88 117.98 115.17 3jx5 s PHE 300 Ca 0.00 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 3jx5 s PHE 300 Cb 0.00 -3.02 -0.00 0.00 0.51 0.00 0.00 43.02 40.51 3jx5 s PHE 300 CO 0.00 -0.67 -0.02 -0.51 0.70 0.00 0.00 175.22 174.73 3jx5 s LEU 301 N -3.40 2.02 -0.06 -0.37 1.43 -1.02 -4.97 118.68 112.31 3jx5 s LEU 301 Ca 0.66 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 3jx5 s LEU 301 Cb -0.15 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 3jx5 s LEU 301 CO 0.18 -0.01 0.15 -0.54 0.23 0.00 0.00 176.35 176.37 3jx5 s LYS 302 N -0.14 3.40 -0.03 1.70 1.02 -1.26 0.86 119.74 125.28 3jx5 s LYS 302 Ca -0.01 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.77 3jx5 s LYS 302 Cb -0.01 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3jx5 s LYS 302 CO -0.00 0.72 -0.17 0.14 -0.92 0.00 0.00 175.35 175.11 3jx5 s VAL 303 N -1.18 1.41 -0.05 3.17 -7.23 0.41 -4.95 120.40 111.99 3jx5 s VAL 303 Ca 0.21 -0.73 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 3jx5 s VAL 303 Cb -0.12 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 3jx5 s VAL 303 CO 0.12 0.40 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.37 3jx5 s LYS 304 N -0.12 2.46 -0.17 4.82 2.20 -1.26 -0.36 119.74 127.30 3jx5 s LYS 304 Ca 0.00 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 54.66 3jx5 s LYS 304 Cb -0.10 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 3jx5 s LYS 304 CO 0.01 0.55 0.43 1.21 -0.36 0.00 0.00 175.35 177.19 3jx5 s ASN 305 N -0.55 6.53 0.00 1.43 3.84 -0.00 -1.51 114.94 124.68 3jx5 s ASN 305 Ca 0.08 0.63 0.26 0.00 0.21 0.00 0.00 52.86 54.04 3jx5 s ASN 305 Cb -0.11 -2.25 0.92 0.00 -0.55 0.00 0.00 41.25 39.25 3jx5 s ASN 305 CO 0.01 -0.06 1.66 0.79 -2.79 0.00 0.00 177.10 176.71 3jx5 n TRP 306 N 4.24 0.06 -0.11 0.43 7.02 0.60 -1.34 117.44 128.34 3jx5 n TRP 306 Ca -0.08 -0.03 -0.16 0.00 -1.02 0.00 0.00 57.50 56.22 3jx5 n TRP 306 Cb 0.51 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.30 3jx5 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx5 n GLU 307 N 0.31 0.55 0.00 -0.99 2.13 -1.26 -4.61 120.64 116.77 3jx5 n GLU 307 Ca 0.18 0.13 0.09 0.00 0.66 0.00 0.00 57.16 58.22 3jx5 n GLU 307 Cb 0.37 -1.44 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 3jx5 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx5 n THR 308 N -3.19 0.00 -0.66 6.31 -2.24 -1.25 -4.99 114.28 108.26 3jx5 n THR 308 Ca -0.40 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3jx5 n THR 308 Cb 0.91 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 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 -0.60 -1.84 -4.73 3.42 9.92 -0.45 -4.97 116.55 117.30 3jx5 n ASP 309 Ca 0.06 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 3jx5 n ASP 309 Cb 0.34 -2.76 -0.02 0.00 -0.64 0.00 0.00 41.12 38.04 3jx5 n ASP 309 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3jx5 s VAL 310 N -1.04 2.53 -0.12 2.53 1.01 -1.24 -4.76 120.40 119.31 3jx5 s VAL 310 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3jx5 s VAL 310 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3jx5 s VAL 310 CO 0.00 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.26 3jx5 s VAL 311 N 0.47 2.36 0.17 2.92 1.01 -1.26 -0.82 120.40 125.25 3jx5 s VAL 311 Ca 0.65 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.83 3jx5 s VAL 311 Cb -0.44 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3jx5 s VAL 311 CO 0.39 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 175.04 3jx5 s LEU 312 N 0.47 2.47 -0.18 3.92 1.43 0.52 -4.94 118.68 122.37 3jx5 s LEU 312 Ca -0.14 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 3jx5 s LEU 312 Cb -0.17 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3jx5 s LEU 312 CO 0.05 0.14 -0.07 -0.89 0.23 0.00 0.00 176.35 175.81 3jx5 s THR 313 N -1.48 3.33 -0.26 5.49 2.01 -1.26 -0.44 115.64 123.02 3jx5 s THR 313 Ca 0.19 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 3jx5 s THR 313 Cb -0.09 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3jx5 s THR 313 CO 0.09 0.47 0.17 -0.62 -0.69 0.00 0.00 174.62 174.04 3jx5 s ASP 314 N 0.91 5.98 -0.00 3.53 -1.08 0.25 -4.59 116.67 121.67 3jx5 s ASP 314 Ca -0.01 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.07 3jx5 s ASP 314 Cb -0.15 -2.10 -0.05 0.00 -1.46 0.00 0.00 42.92 39.17 3jx5 s ASP 314 CO 0.01 -0.01 0.17 0.35 0.52 0.00 0.00 175.17 176.21 3jx5 n THR 315 N 4.78 0.00 0.23 1.71 -2.24 0.83 -2.43 114.28 117.15 3jx5 n THR 315 Ca -0.15 -0.37 0.10 0.00 -2.27 0.00 0.00 64.05 61.37 3jx5 n THR 315 Cb 0.52 0.93 0.50 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.00 -2.09 3.22 5.85 -1.66 -3.05 115.31 117.58 3jx5 h LEU 316 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3jx5 h LEU 316 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3jx5 h LEU 316 CO 0.00 0.22 -0.06 1.12 -0.34 0.00 0.00 178.44 179.38 3jx5 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.86 -1.72 115.15 114.90 3jx5 h HIS 317 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 3jx5 h HIS 317 Cb 0.68 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.65 3jx5 h HIS 317 CO 0.00 0.06 -0.29 -0.07 -3.07 0.00 0.00 177.93 174.56 3jx5 h LEU 318 N 0.00 0.00 -0.60 6.12 3.38 -1.87 -1.56 115.31 120.78 3jx5 h LEU 318 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx5 h LEU 318 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3jx5 h LEU 318 CO 0.01 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.12 3jx5 n LYS 319 N -3.48 1.31 -2.96 1.13 5.02 -0.65 -4.89 118.16 113.65 3jx5 n LYS 319 Ca -0.00 -0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 55.55 3jx5 n LYS 319 Cb 0.46 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3jx5 n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jx5 s SER 320 N -0.80 7.10 0.01 4.39 0.15 -0.59 -4.87 113.70 119.09 3jx5 s SER 320 Ca 0.07 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.30 3jx5 s SER 320 Cb 0.04 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3jx5 s SER 320 CO 0.04 -0.09 0.00 1.07 1.20 0.00 0.00 173.24 175.46 3jx5 n THR 321 N 0.33 0.10 -0.71 6.45 5.66 -0.90 -5.04 114.28 120.18 3jx5 n THR 321 Ca 0.01 0.03 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 3jx5 n THR 321 Cb 0.51 -0.98 0.25 0.00 -1.55 0.00 0.00 70.33 68.56 3jx5 n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3jx5 s LEU 322 N -5.18 0.49 0.13 1.09 1.43 -1.22 -5.01 118.68 110.39 3jx5 s LEU 322 Ca 0.00 1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 54.17 3jx5 s LEU 322 Cb 0.00 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 3jx5 s LEU 322 CO 0.00 -4.27 0.45 -1.61 0.23 0.00 0.00 176.35 171.15 3jx5 s GLU 323 N -4.81 3.78 0.13 1.70 2.02 -1.26 -4.60 118.70 115.66 3jx5 s GLU 323 Ca 0.68 0.20 0.18 0.00 0.02 0.00 0.00 54.97 56.05 3jx5 s GLU 323 Cb -0.19 -2.90 -0.07 0.00 0.10 0.00 0.00 34.13 31.07 3jx5 s GLU 323 CO 0.61 0.49 0.99 1.79 0.02 0.00 0.00 175.26 179.15 3jx5 h THR 324 N 2.57 0.46 0.00 3.63 1.35 -1.96 -3.48 112.91 115.49 3jx5 h THR 324 Ca -0.48 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 3jx5 h THR 324 Cb 1.18 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3jx5 h THR 324 CO 0.68 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 3jx5 n GLY 325 N 1.32 3.21 3.88 5.82 0.00 -1.26 -4.91 105.19 113.26 3jx5 n GLY 325 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3jx5 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx5 n THR 327 N -1.70 0.00 0.31 0.00 -2.24 -0.51 -5.01 114.28 105.13 3jx5 n THR 327 Ca 0.02 -2.40 0.19 0.00 -2.27 0.00 0.00 64.05 59.60 3jx5 n THR 327 Cb 0.54 0.91 1.00 0.00 -2.10 0.00 0.00 70.33 70.68 3jx5 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3jx5 h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.22 114.58 111.60 3jx5 h GLU 328 Ca -0.31 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.37 3jx5 h GLU 328 Cb 1.22 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 3jx5 h GLU 328 CO 0.48 0.02 -2.07 0.72 -1.40 0.00 0.00 179.01 176.76 3jx5 n HIS 329 N -3.26 0.15 -3.80 4.33 8.25 -1.26 -4.98 115.22 114.65 3jx5 n HIS 329 Ca -0.02 0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 3jx5 n HIS 329 Cb 0.15 -0.80 -0.14 0.00 1.12 0.00 0.00 29.99 30.32 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 -3.00 -0.03 -0.21 1.59 2.07 -1.22 -5.13 121.20 115.28 3jx5 s ILE 330 Ca -0.08 0.10 -0.11 0.00 -1.41 0.00 0.00 60.65 59.15 3jx5 s ILE 330 Cb 0.10 -0.15 -0.05 0.00 0.13 0.00 0.00 42.46 42.49 3jx5 s ILE 330 CO 0.86 0.04 0.18 0.00 -1.91 0.00 0.00 174.94 174.11 3jx5 n MET 332 N 3.86 2.78 -0.48 0.00 0.00 -1.26 -4.77 117.12 117.25 3jx5 n MET 332 Ca -0.15 -2.47 0.40 0.00 0.00 0.00 0.00 57.70 55.48 3jx5 n MET 332 Cb 0.52 -1.57 0.68 0.00 0.00 0.00 0.00 33.22 32.84 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 1.61 1.24 0.66 3.03 0.00 -1.93 0.12 103.07 107.80 3jx5 h GLY 333 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3jx5 h GLY 333 CO 0.12 -0.41 -0.32 -1.14 0.00 0.00 0.00 176.54 174.78 3jx5 n SER 334 N -4.66 0.73 -4.70 0.19 3.41 -1.26 -4.89 113.62 102.45 3jx5 n SER 334 Ca 0.39 -0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 3jx5 n SER 334 Cb 1.54 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 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 -2.70 3.47 0.13 -1.33 -1.09 0.03 -4.95 121.20 114.76 3jx5 s ILE 335 Ca 0.19 0.96 -0.15 0.00 -2.23 0.00 0.00 60.65 59.42 3jx5 s ILE 335 Cb 0.19 -3.61 -0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3jx5 s ILE 335 CO 0.58 0.03 1.62 0.58 -1.23 0.00 0.00 174.94 176.52 3jx5 h VAL 336 N 4.66 1.24 -3.04 2.92 2.07 -1.90 -3.39 116.25 118.81 3jx5 h VAL 336 Ca -0.40 -0.85 -0.60 0.00 0.82 0.00 0.00 66.70 65.67 3jx5 h VAL 336 Cb 1.19 0.98 -0.40 0.00 -1.52 0.00 0.00 31.29 31.54 3jx5 h VAL 336 CO 0.89 0.29 -0.75 -0.76 0.02 0.00 0.00 177.57 177.27 3jx5 s LEU 337 N -9.58 2.50 -0.06 2.57 1.43 -1.26 -5.15 118.68 109.13 3jx5 s LEU 337 Ca -0.13 -2.27 -0.09 0.00 -1.03 0.00 0.00 54.13 50.61 3jx5 s LEU 337 Cb 0.10 -0.96 -0.29 0.00 0.03 0.00 0.00 46.19 45.07 3jx5 s LEU 337 CO 0.78 -0.32 0.63 -0.65 0.23 0.00 0.00 176.35 177.02 3jx5 h PRO 338 N 7.21 0.35 0.00 1.29 0.11 -1.91 -3.54 132.00 135.50 3jx5 h PRO 338 Ca -0.05 -0.59 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3jx5 h PRO 338 Cb 0.96 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jx5 h PRO 338 CO 0.46 1.26 0.00 2.41 -0.21 0.00 0.00 178.00 181.92 3jx5 n THR 350 N -3.54 0.00 -0.35 -1.15 -1.04 -1.26 -5.02 114.28 101.91 3jx5 n THR 350 Ca -0.25 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 61.90 3jx5 n THR 350 Cb 1.07 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 69.92 3jx5 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx5 h LYS 351 N 0.00 0.68 0.00 -2.82 1.57 -1.94 0.41 116.57 114.47 3jx5 h LYS 351 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3jx5 h LYS 351 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3jx5 h LYS 351 CO 0.00 0.45 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.59 3jx5 h ASP 352 N 0.70 0.00 0.37 0.86 3.45 -1.99 -3.17 116.42 116.63 3jx5 h ASP 352 Ca 0.60 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.75 3jx5 h ASP 352 Cb 1.00 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.72 3jx5 h ASP 352 CO -0.41 0.31 -1.86 0.00 -1.57 0.00 0.00 179.24 175.70 3jx5 n GLN 353 N -3.57 0.65 0.10 3.56 6.02 -0.16 -4.50 117.38 119.49 3jx5 n GLN 353 Ca -0.01 0.24 -0.23 0.00 -0.01 0.00 0.00 57.00 57.00 3jx5 n GLN 353 Cb 0.45 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.83 3jx5 n GLN 353 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3jx5 h LEU 354 N 0.01 0.80 -0.76 1.08 5.85 -1.00 -3.32 115.31 117.97 3jx5 h LEU 354 Ca -0.35 -0.87 -0.06 0.00 0.84 0.00 0.00 57.88 57.44 3jx5 h LEU 354 Cb 2.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 3jx5 h LEU 354 CO 0.07 1.59 0.20 0.15 -0.34 0.00 0.00 178.44 180.11 3jx5 h PHE 355 N 0.13 1.18 -0.76 1.25 3.57 -1.78 0.91 116.94 121.43 3jx5 h PHE 355 Ca -0.20 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.20 3jx5 h PHE 355 Cb 1.92 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 3jx5 h PHE 355 CO 0.13 0.94 0.49 -1.35 -2.23 0.00 0.00 178.31 176.30 3jx5 h PRO 356 N 1.08 0.95 -0.67 6.41 0.11 -1.81 -0.41 132.00 137.67 3jx5 h PRO 356 Ca 0.23 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3jx5 h PRO 356 Cb 0.34 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3jx5 h PRO 356 CO -0.00 0.63 0.38 -0.07 -0.21 0.00 0.00 178.00 178.73 3jx5 h LEU 357 N 0.98 0.83 -0.25 2.35 3.38 -1.47 -0.45 115.31 120.67 3jx5 h LEU 357 Ca 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3jx5 h LEU 357 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3jx5 h LEU 357 CO -0.09 0.67 0.07 0.00 0.09 0.00 0.00 178.44 179.18 3jx5 h ALA 358 N 1.19 0.33 -0.21 1.53 0.00 -0.46 -2.21 119.26 119.44 3jx5 h ALA 358 Ca 0.24 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3jx5 h ALA 358 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3jx5 h ALA 358 CO -0.04 -0.02 0.00 -0.22 0.00 0.00 0.00 179.25 178.97 3jx5 h LYS 359 N 0.24 0.07 -0.59 0.00 3.64 -0.84 0.17 116.57 119.26 3jx5 h LYS 359 Ca 0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3jx5 h LYS 359 Cb 0.27 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3jx5 h LYS 359 CO -0.00 0.05 0.33 1.49 -2.27 0.00 0.00 179.45 179.05 3jx5 h GLU 360 N 0.07 0.81 -0.44 1.90 4.81 -1.04 0.80 114.58 121.50 3jx5 h GLU 360 Ca 0.10 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3jx5 h GLU 360 Cb 0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3jx5 h GLU 360 CO -0.16 0.61 0.09 0.35 -0.73 0.00 0.00 179.01 179.17 3jx5 h PHE 361 N 0.80 0.75 -0.10 0.92 3.57 -1.08 -2.12 116.94 119.68 3jx5 h PHE 361 Ca 0.21 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 3jx5 h PHE 361 Cb 0.03 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3jx5 h PHE 361 CO -0.01 0.71 -0.49 -0.07 -2.23 0.00 0.00 178.31 176.21 3jx5 h LEU 362 N 0.58 0.29 -0.34 0.59 3.38 -0.43 0.11 115.31 119.49 3jx5 h LEU 362 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jx5 h LEU 362 Cb 0.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3jx5 h LEU 362 CO 0.00 0.74 0.18 0.44 0.09 0.00 0.00 178.44 179.89 3jx5 h ASP 363 N 0.21 0.43 -0.32 -0.43 3.32 -0.81 0.50 116.42 119.33 3jx5 h ASP 363 Ca 0.01 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 3jx5 h ASP 363 Cb 0.94 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3jx5 h ASP 363 CO 0.08 0.41 -0.40 0.06 -1.72 0.00 0.00 179.24 177.66 3jx5 h GLN 364 N 0.43 0.88 0.16 3.56 3.07 -1.12 -2.04 115.11 120.05 3jx5 h GLN 364 Ca 0.12 -0.47 0.02 0.00 0.09 0.00 0.00 58.65 58.41 3jx5 h GLN 364 Cb 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.62 3jx5 h GLN 364 CO -0.02 1.11 -0.31 -0.92 0.09 0.00 0.00 178.83 178.79 3jx5 h TYR 365 N 0.71 -0.83 0.00 0.06 3.20 -0.78 -0.28 116.97 119.06 3jx5 h TYR 365 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3jx5 h TYR 365 Cb 0.99 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3jx5 h TYR 365 CO 0.06 -0.42 -0.25 1.88 -1.64 0.00 0.00 178.16 177.79 3jx5 h TYR 366 N -0.55 0.00 -0.28 -3.82 -1.99 -0.94 -2.23 116.97 107.16 3jx5 h TYR 366 Ca 0.02 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 3jx5 h TYR 366 Cb 0.56 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3jx5 h TYR 366 CO -0.26 0.25 -0.39 1.03 -0.00 0.00 0.00 178.16 178.80 3jx5 h SER 367 N 0.00 0.70 0.31 3.88 0.87 -1.15 0.31 113.55 118.48 3jx5 h SER 367 Ca -0.00 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.15 3jx5 h SER 367 Cb 0.50 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3jx5 h SER 367 CO 0.03 1.01 -0.41 0.77 -0.53 0.00 0.00 176.83 177.71 3jx5 h SER 368 N 0.55 0.13 -0.39 6.23 4.64 -0.45 -2.60 113.55 121.65 3jx5 h SER 368 Ca 0.05 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3jx5 h SER 368 Cb 0.92 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3jx5 h SER 368 CO 0.08 0.53 0.00 2.30 -0.87 0.00 0.00 176.83 178.87 3jx5 n ILE 369 N -4.04 0.65 -3.44 0.95 -5.35 -1.03 -4.93 119.36 102.17 3jx5 n ILE 369 Ca -0.02 -0.57 -0.20 0.00 -0.27 0.00 0.00 62.75 61.70 3jx5 n ILE 369 Cb 0.46 0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.63 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 0.64 -6.92 -0.87 6.28 5.02 -0.98 -4.93 118.16 116.40 3jx5 n LYS 370 Ca 0.14 0.79 0.03 0.00 -2.02 0.00 0.00 58.31 57.25 3jx5 n LYS 370 Cb 0.39 -5.67 0.05 0.00 -0.02 0.00 0.00 35.03 29.78 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 -4.37 0.32 -2.02 1.97 1.74 0.10 -5.03 116.66 109.38 3jx5 n ARG 371 Ca -0.12 -1.85 -0.42 0.00 -0.77 0.00 0.00 57.85 54.69 3jx5 n ARG 371 Cb 0.60 -0.54 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 3jx5 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jx5 s PHE 372 N -0.69 2.98 -0.89 -1.55 5.36 -0.95 -2.16 117.98 120.07 3jx5 s PHE 372 Ca 0.22 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3jx5 s PHE 372 Cb 0.23 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3jx5 s PHE 372 CO -0.07 -3.16 0.00 0.41 -1.46 0.00 0.00 175.22 170.94 3jx5 n GLY 373 N 3.72 0.61 3.96 13.12 0.00 -1.26 -5.02 105.19 120.33 3jx5 n GLY 373 Ca 0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.77 5.44 0.12 1.61 1.04 -0.92 -4.92 113.70 113.31 3jx5 s SER 374 Ca 0.00 0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 3jx5 s SER 374 Cb 0.00 -1.13 -0.06 0.00 0.10 0.00 0.00 66.02 64.94 3jx5 s SER 374 CO 0.00 -1.02 1.64 0.11 0.98 0.00 0.00 173.24 174.95 3jx5 h LYS 375 N 0.13 -0.38 -1.00 4.02 1.57 -1.97 -0.85 116.57 118.10 3jx5 h LYS 375 Ca -0.44 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3jx5 h LYS 375 Cb 1.28 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.59 3jx5 h LYS 375 CO 0.55 -0.25 0.62 0.00 -0.57 0.00 0.00 179.45 179.79 3jx5 h ALA 376 N 0.43 1.54 0.14 3.86 0.00 -1.95 0.85 119.26 124.11 3jx5 h ALA 376 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jx5 h ALA 376 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jx5 h ALA 376 CO -0.21 0.16 -0.10 1.25 0.00 0.00 0.00 179.25 180.35 3jx5 h HIS 377 N 0.94 -0.26 -0.86 0.00 -0.00 -1.69 -2.17 115.15 111.11 3jx5 h HIS 377 Ca 0.51 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 61.06 3jx5 h HIS 377 Cb 0.57 0.09 -0.11 0.00 -0.00 0.00 0.00 27.41 27.97 3jx5 h HIS 377 CO -0.01 -0.14 0.40 0.52 -0.00 0.00 0.00 177.93 178.70 3jx5 h MET 378 N -0.22 0.49 -0.57 5.26 2.07 -0.78 0.86 114.93 122.03 3jx5 h MET 378 Ca -0.02 -0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.53 3jx5 h MET 378 Cb 0.18 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.78 3jx5 h MET 378 CO 0.01 0.32 0.16 -0.44 1.07 0.00 0.00 176.91 178.03 3jx5 h ASP 379 N 0.50 0.85 -0.54 1.22 3.45 -0.91 0.12 116.42 121.11 3jx5 h ASP 379 Ca 0.50 -0.22 -0.07 0.00 0.43 0.00 0.00 57.03 57.67 3jx5 h ASP 379 Cb 0.83 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 3jx5 h ASP 379 CO -0.44 0.84 0.07 -0.09 -1.57 0.00 0.00 179.24 178.05 3jx5 h ARG 380 N 0.81 0.95 -0.70 3.56 9.65 -0.51 -0.61 114.38 127.53 3jx5 h ARG 380 Ca 0.18 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 3jx5 h ARG 380 Cb 0.31 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 3jx5 h ARG 380 CO -0.00 0.90 0.33 1.25 2.80 0.00 0.00 179.97 185.24 3jx5 h LEU 381 N 0.89 0.92 -0.88 3.80 5.85 0.78 -1.28 115.31 125.39 3jx5 h LEU 381 Ca 0.18 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3jx5 h LEU 381 Cb 0.43 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3jx5 h LEU 381 CO 0.01 0.80 0.14 -0.08 -0.34 0.00 0.00 178.44 178.97 3jx5 h GLU 382 N 0.97 0.97 -0.63 1.25 4.57 -0.57 -2.04 114.58 119.10 3jx5 h GLU 382 Ca 0.24 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 3jx5 h GLU 382 Cb 0.13 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3jx5 h GLU 382 CO -0.03 0.87 0.04 1.49 -1.18 0.00 0.00 179.01 180.20 3jx5 h GLU 383 N 0.92 1.08 -0.31 1.92 4.81 -0.66 0.42 114.58 122.77 3jx5 h GLU 383 Ca 0.19 -0.33 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 3jx5 h GLU 383 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3jx5 h GLU 383 CO 0.00 1.03 -0.45 0.28 -0.73 0.00 0.00 179.01 179.14 3jx5 h VAL 384 N 0.99 1.28 -0.59 0.32 2.07 -1.21 -0.89 116.25 118.23 3jx5 h VAL 384 Ca 0.18 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 3jx5 h VAL 384 Cb 0.52 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3jx5 h VAL 384 CO 0.02 0.53 0.11 -1.13 0.02 0.00 0.00 177.57 177.13 3jx5 h ASN 385 N 0.64 0.93 0.48 0.57 -0.73 -1.19 0.43 115.58 116.72 3jx5 h ASN 385 Ca 0.04 -0.25 -0.10 0.00 1.87 0.00 0.00 56.30 57.86 3jx5 h ASN 385 Cb 1.03 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 3jx5 h ASN 385 CO 0.10 0.94 -0.47 0.11 -0.37 0.00 0.00 177.43 177.74 3jx5 h LYS 386 N 0.87 0.00 0.07 6.67 1.57 0.02 -1.46 116.57 124.31 3jx5 h LYS 386 Ca 0.18 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.71 3jx5 h LYS 386 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3jx5 h LYS 386 CO 0.01 0.47 -1.10 1.49 -0.57 0.00 0.00 179.45 179.75 3jx5 h GLU 387 N 0.00 0.41 0.12 3.15 4.81 -0.29 -3.12 114.58 119.65 3jx5 h GLU 387 Ca -0.00 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3jx5 h GLU 387 Cb 0.84 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3jx5 h GLU 387 CO 0.06 1.19 -0.06 0.82 -0.73 0.00 0.00 179.01 180.30 3jx5 h ILE 388 N 0.19 1.03 -0.50 2.32 2.04 -0.13 0.27 117.51 122.73 3jx5 h ILE 388 Ca -0.12 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.18 3jx5 h ILE 388 Cb 1.77 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 3jx5 h ILE 388 CO 0.19 0.15 0.33 -0.33 0.00 0.00 0.00 178.15 178.49 3jx5 h GLU 389 N -0.44 0.43 0.06 2.37 4.39 -1.39 0.60 114.58 120.60 3jx5 h GLU 389 Ca -0.02 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.31 3jx5 h GLU 389 Cb 0.36 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3jx5 h GLU 389 CO 0.03 0.29 -1.95 -1.13 -1.16 0.00 0.00 179.01 175.08 3jx5 n SER 390 N -4.47 2.02 -0.00 1.42 3.41 -1.18 -4.64 113.62 110.17 3jx5 n SER 390 Ca 0.07 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 3jx5 n SER 390 Cb 0.24 -0.81 -0.12 0.00 -0.26 0.00 0.00 64.21 63.26 3jx5 n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jx5 n THR 391 N -3.76 0.00 -1.01 6.66 -2.24 0.95 -4.98 114.28 109.90 3jx5 n THR 391 Ca -0.37 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3jx5 n THR 391 Cb 0.93 0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 70.02 3jx5 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx5 n SER 392 N -1.57 -5.17 -0.86 3.42 3.41 0.20 -4.93 113.62 108.11 3jx5 n SER 392 Ca 0.03 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3jx5 n SER 392 Cb 0.34 -2.70 0.00 0.00 -0.26 0.00 0.00 64.21 61.59 3jx5 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx5 n THR 393 N -2.28 0.00 -3.87 6.66 5.66 -1.26 -4.75 114.28 114.44 3jx5 n THR 393 Ca -0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3jx5 n THR 393 Cb 0.37 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.14 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 -5.51 0.13 -0.07 1.09 -0.85 -1.26 -3.49 117.35 107.38 3jx5 s TYR 394 Ca 0.00 -0.67 0.05 0.00 -0.52 0.00 0.00 57.07 55.93 3jx5 s TYR 394 Cb 0.00 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 42.98 3jx5 s TYR 394 CO 0.00 -1.37 -0.23 -0.65 -1.52 0.00 0.00 175.55 171.78 3jx5 s GLN 395 N -3.05 2.70 0.26 -3.49 -1.52 -1.26 -5.08 119.66 108.22 3jx5 s GLN 395 Ca 0.16 -0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 3jx5 s GLN 395 Cb -0.05 -2.24 -0.09 0.00 -0.22 0.00 0.00 33.01 30.41 3jx5 s GLN 395 CO 0.11 0.35 1.00 -0.51 -0.25 0.00 0.00 175.29 175.99 3jx5 s LEU 396 N -0.08 4.61 0.65 2.90 1.43 -1.26 -5.05 118.68 121.88 3jx5 s LEU 396 Ca -0.05 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 3jx5 s LEU 396 Cb -0.14 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 3jx5 s LEU 396 CO 0.04 0.05 1.12 -0.54 0.23 0.00 0.00 176.35 177.25 3jx5 s LYS 397 N -1.28 2.81 0.21 1.70 -0.14 -1.26 -4.83 119.74 116.94 3jx5 s LYS 397 Ca 0.42 1.44 -0.12 0.00 -1.36 0.00 0.00 55.97 56.35 3jx5 s LYS 397 Cb -0.28 -1.95 0.26 0.00 -1.68 0.00 0.00 37.83 34.18 3jx5 s LYS 397 CO 0.35 -1.25 1.65 -0.44 -0.76 0.00 0.00 175.35 174.89 3jx5 h ASP 398 N 0.11 -0.42 -0.85 2.83 3.32 -1.99 -0.29 116.42 119.13 3jx5 h ASP 398 Ca -0.47 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3jx5 h ASP 398 Cb 1.25 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 41.08 3jx5 h ASP 398 CO 0.54 -0.16 0.54 0.71 -1.72 0.00 0.00 179.24 179.14 3jx5 h THR 399 N 0.05 1.23 -0.21 0.35 1.35 -2.00 -1.36 112.91 112.32 3jx5 h THR 399 Ca 0.31 -0.46 -0.11 0.00 -0.55 0.00 0.00 66.41 65.60 3jx5 h THR 399 Cb 0.49 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 3jx5 h THR 399 CO -0.58 0.23 -0.34 -0.33 -0.25 0.00 0.00 175.52 174.25 3jx5 h GLU 400 N 1.16 0.43 -0.23 4.72 5.08 -1.64 -2.26 114.58 121.84 3jx5 h GLU 400 Ca 0.31 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3jx5 h GLU 400 Cb -0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3jx5 h GLU 400 CO -0.06 0.72 -0.21 1.25 -1.00 0.00 0.00 179.01 179.71 3jx5 h LEU 401 N 0.37 0.58 -0.26 1.33 5.85 -0.46 0.89 115.31 123.61 3jx5 h LEU 401 Ca 0.04 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3jx5 h LEU 401 Cb 0.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3jx5 h LEU 401 CO 0.06 0.93 0.14 0.40 -0.34 0.00 0.00 178.44 179.63 3jx5 h ILE 402 N 0.25 1.13 -0.39 4.05 2.04 -1.22 -1.43 117.51 121.94 3jx5 h ILE 402 Ca 0.04 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3jx5 h ILE 402 Cb 0.76 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3jx5 h ILE 402 CO 0.05 0.13 0.23 0.22 0.00 0.00 0.00 178.15 178.78 3jx5 h TYR 403 N 0.30 0.42 -0.22 1.37 3.20 -1.37 -2.27 116.97 118.40 3jx5 h TYR 403 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3jx5 h TYR 403 Cb 0.09 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3jx5 h TYR 403 CO -0.03 0.25 -0.05 0.78 -1.64 0.00 0.00 178.16 177.47 3jx5 h GLY 404 N 0.46 0.17 1.00 1.82 0.00 -0.53 -1.06 103.07 104.92 3jx5 h GLY 404 Ca 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3jx5 h GLY 404 CO -0.08 -0.08 0.24 0.00 0.00 0.00 0.00 176.54 176.63 3jx5 h ALA 405 N 1.22 0.81 -0.47 3.60 0.00 -1.17 0.41 119.26 123.66 3jx5 h ALA 405 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3jx5 h ALA 405 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3jx5 h ALA 405 CO -0.22 0.43 0.02 0.87 0.00 0.00 0.00 179.25 180.34 3jx5 h LYS 406 N 0.87 0.82 -0.02 0.00 1.57 -1.27 -2.48 116.57 116.07 3jx5 h LYS 406 Ca 0.21 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3jx5 h LYS 406 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3jx5 h LYS 406 CO -0.02 0.87 -0.59 0.45 -0.57 0.00 0.00 179.45 179.59 3jx5 h HIS 407 N 0.68 0.09 -0.72 -1.35 3.86 -1.00 -0.74 115.15 115.97 3jx5 h HIS 407 Ca 0.14 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3jx5 h HIS 407 Cb 0.48 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3jx5 h HIS 407 CO 0.04 0.64 0.47 0.00 0.86 0.00 0.00 177.93 179.94 3jx5 h ALA 408 N 1.35 1.49 -0.14 2.45 0.00 -0.56 0.16 119.26 124.01 3jx5 h ALA 408 Ca -0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3jx5 h ALA 408 Cb 1.06 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3jx5 h ALA 408 CO 0.08 0.47 -0.61 2.35 0.00 0.00 0.00 179.25 181.54 3jx5 h TRP 409 N 0.97 0.89 -0.44 0.00 7.01 -1.21 -2.78 115.95 120.38 3jx5 h TRP 409 Ca 0.26 -0.38 0.04 0.00 2.11 0.00 0.00 58.89 60.92 3jx5 h TRP 409 Cb -0.11 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3jx5 h TRP 409 CO -0.00 1.19 0.29 -0.09 -2.79 0.00 0.00 178.44 177.04 3jx5 h ARG 410 N 0.33 0.41 -0.05 2.65 2.43 -0.11 -1.54 114.38 118.50 3jx5 h ARG 410 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3jx5 h ARG 410 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3jx5 h ARG 410 CO 0.13 0.27 0.00 0.09 -1.51 0.00 0.00 179.97 178.95 3jx5 n ASN 411 N -4.48 1.60 -4.56 -3.80 3.02 0.45 -4.87 115.26 102.61 3jx5 n ASN 411 Ca 0.05 -1.57 -0.41 0.00 -0.03 0.00 0.00 54.58 52.62 3jx5 n ASN 411 Cb 0.19 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.95 2.75 -0.53 5.41 0.00 -0.58 -4.73 121.76 122.13 3jx5 s ALA 412 Ca 0.36 -1.05 0.25 0.00 0.00 0.00 0.00 51.96 51.52 3jx5 s ALA 412 Cb 0.20 -4.19 0.94 0.00 0.00 0.00 0.00 23.12 20.07 3jx5 s ALA 412 CO 0.32 -3.17 1.74 0.66 0.00 0.00 0.00 175.76 175.31 3jx5 h SER 413 N 10.68 0.00 0.00 0.00 4.64 -1.89 -1.95 113.55 125.02 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 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3jx5 h SER 413 CO 1.24 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 177.69 3jx5 n ARG 414 N -2.30 1.79 -3.56 4.77 1.74 -1.26 -0.40 116.66 117.45 3jx5 n ARG 414 Ca 0.03 -1.24 -0.38 0.00 -0.77 0.00 0.00 57.85 55.48 3jx5 n ARG 414 Cb 0.29 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 3jx5 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx5 h VAL 416 N 5.39 0.00 -0.40 0.00 3.04 -1.90 -3.32 116.25 119.06 3jx5 h VAL 416 Ca -0.34 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 3jx5 h VAL 416 Cb 1.18 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 3jx5 h VAL 416 CO 0.57 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 3jx5 n GLY 417 N 0.88 0.98 0.02 3.17 0.00 -1.26 -4.43 105.19 104.55 3jx5 n GLY 417 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 0.66 0.03 0.19 1.61 1.74 -1.25 -3.06 116.66 116.57 3jx5 n ARG 418 Ca 0.14 0.25 0.18 0.00 -0.77 0.00 0.00 57.85 57.64 3jx5 n ARG 418 Cb 0.37 -1.55 0.74 0.00 -1.02 0.00 0.00 32.46 30.99 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 0.19 -0.19 0.55 2.10 -1.88 0.95 117.51 119.22 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 0.29 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 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 -3.31 1.95 -0.35 2.19 1.13 -1.17 -4.66 117.38 113.16 3jx5 n GLN 420 Ca 0.04 -1.42 0.13 0.00 -1.94 0.00 0.00 57.00 53.80 3jx5 n GLN 420 Cb 0.57 -1.44 0.32 0.00 0.11 0.00 0.00 30.24 29.80 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 2.94 1.05 0.00 1.08 5.08 -1.04 -0.76 115.95 124.29 3jx5 h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3jx5 h TRP 421 Cb 0.64 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 3jx5 h TRP 421 CO 0.12 0.26 0.00 -1.13 -1.28 0.00 0.00 178.44 176.41 3jx5 n SER 422 N -4.73 0.07 -0.97 0.11 3.41 -1.26 -3.16 113.62 107.09 3jx5 n SER 422 Ca 0.23 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 3jx5 n SER 422 Cb 0.55 -0.53 0.27 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.57 2.24 -1.67 4.33 5.02 -0.29 -4.96 118.16 121.27 3jx5 n LYS 423 Ca 0.05 -1.90 -0.52 0.00 -2.02 0.00 0.00 58.31 53.91 3jx5 n LYS 423 Cb 0.26 -1.45 -0.06 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 1.08 2.86 -4.66 -0.35 7.94 -1.19 -4.78 117.00 117.90 3jx5 n LEU 424 Ca 0.18 0.94 -0.43 0.00 -1.11 0.00 0.00 56.01 55.60 3jx5 n LEU 424 Cb 0.48 -1.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3jx5 n LEU 424 CO 0.14 -0.29 0.84 -1.58 -1.11 0.00 0.00 177.39 175.39 3jx5 s GLN 425 N 4.17 4.28 -0.19 1.96 2.00 -0.77 -4.96 119.66 126.15 3jx5 s GLN 425 Ca 0.97 1.29 -0.06 0.00 -2.00 0.00 0.00 55.36 55.56 3jx5 s GLN 425 Cb -0.87 -3.62 -0.03 0.00 0.80 0.00 0.00 33.01 29.29 3jx5 s GLN 425 CO 0.57 -0.53 0.03 0.08 -0.50 0.00 0.00 175.29 174.94 3jx5 s VAL 426 N 2.85 4.39 -0.25 1.34 1.01 -1.26 -1.12 120.40 127.36 3jx5 s VAL 426 Ca 0.43 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3jx5 s VAL 426 Cb -0.16 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3jx5 s VAL 426 CO 0.09 0.44 0.04 -0.36 0.00 0.00 0.00 175.10 175.31 3jx5 s PHE 427 N 0.66 3.06 -0.45 5.22 0.08 0.62 -4.97 117.98 122.20 3jx5 s PHE 427 Ca 0.02 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 56.12 3jx5 s PHE 427 Cb -0.14 -2.20 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 3jx5 s PHE 427 CO 0.02 -0.47 0.72 0.34 -0.10 0.00 0.00 175.22 175.73 3jx5 s ASP 428 N 1.54 6.36 -0.24 1.36 3.68 -1.26 -0.89 116.67 127.23 3jx5 s ASP 428 Ca 0.05 -0.26 0.12 0.00 2.13 0.00 0.00 52.55 54.59 3jx5 s ASP 428 Cb -0.15 -2.35 0.47 0.00 -1.45 0.00 0.00 42.92 39.43 3jx5 s ASP 428 CO 0.01 -0.87 1.37 0.00 0.13 0.00 0.00 175.17 175.81 3jx5 n ALA 429 N 6.53 3.68 0.36 3.66 0.00 -0.18 -4.71 120.51 129.86 3jx5 n ALA 429 Ca 0.00 -2.95 0.08 0.00 0.00 0.00 0.00 53.44 50.58 3jx5 n ALA 429 Cb 0.48 -0.62 0.36 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.05 0.08 -0.13 0.00 1.74 -1.11 -1.96 116.66 114.24 3jx5 n ARG 430 Ca 0.26 0.38 0.10 0.00 -0.77 0.00 0.00 57.85 57.83 3jx5 n ARG 430 Cb 0.90 -1.68 0.30 0.00 -1.02 0.00 0.00 32.46 30.96 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 -1.84 2.07 -4.77 0.55 3.85 -1.26 -4.53 116.55 110.63 3jx5 n ASP 431 Ca 0.02 -1.82 -0.39 0.00 -0.71 0.00 0.00 54.79 51.89 3jx5 n ASP 431 Cb 0.15 -0.17 -0.04 0.00 -1.35 0.00 0.00 41.12 39.72 3jx5 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jx5 n THR 433 N 0.73 0.00 -4.17 0.00 -2.24 -1.26 -4.77 114.28 102.57 3jx5 n THR 433 Ca 0.01 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3jx5 n THR 433 Cb 0.47 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.62 0.04 0.30 4.28 -4.23 -1.26 -4.70 115.64 109.45 3jx5 s THR 434 Ca 0.00 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 3jx5 s THR 434 Cb 0.00 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.55 3jx5 s THR 434 CO 0.00 -0.18 1.69 0.00 -0.54 0.00 0.00 174.62 175.59 3jx5 h ALA 435 N 2.70 1.12 -0.33 3.99 0.00 -1.91 -0.64 119.26 124.19 3jx5 h ALA 435 Ca -0.35 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 3jx5 h ALA 435 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3jx5 h ALA 435 CO 0.55 0.64 -0.11 0.45 0.00 0.00 0.00 179.25 180.77 3jx5 h HIS 436 N 0.06 0.74 -0.48 0.00 -0.00 -1.97 0.49 115.15 113.99 3jx5 h HIS 436 Ca -0.00 -0.17 0.10 0.00 -0.00 0.00 0.00 60.37 60.30 3jx5 h HIS 436 Cb 0.91 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 28.05 3jx5 h HIS 436 CO 0.01 0.84 -0.04 0.78 -0.00 0.00 0.00 177.93 179.52 3jx5 h GLY 437 N 0.43 0.45 1.01 2.45 0.00 -1.86 -1.54 103.07 104.00 3jx5 h GLY 437 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 3jx5 h GLY 437 CO 0.04 -0.15 0.31 -0.33 0.00 0.00 0.00 176.54 176.40 3jx5 h MET 438 N 0.07 0.96 -0.43 4.80 2.86 -0.62 -1.96 114.93 120.61 3jx5 h MET 438 Ca 0.24 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3jx5 h MET 438 Cb 0.37 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3jx5 h MET 438 CO -0.44 0.77 0.24 0.35 1.06 0.00 0.00 176.91 178.89 3jx5 h PHE 439 N 0.92 0.44 0.34 -0.22 3.04 0.36 -0.75 116.94 121.07 3jx5 h PHE 439 Ca 0.23 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 3jx5 h PHE 439 Cb 0.14 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 3jx5 h PHE 439 CO 0.01 0.24 -0.23 -0.97 -2.02 0.00 0.00 178.31 175.33 3jx5 h ASN 440 N 0.47 -0.59 -1.00 0.41 -1.24 -0.97 -1.09 115.58 111.57 3jx5 h ASN 440 Ca 0.18 0.04 0.22 0.00 0.71 0.00 0.00 56.30 57.45 3jx5 h ASN 440 Cb 0.05 0.18 -0.11 0.00 0.73 0.00 0.00 38.32 39.17 3jx5 h ASN 440 CO -0.10 -0.36 0.61 1.88 -1.29 0.00 0.00 177.43 178.17 3jx5 h TYR 441 N -0.56 0.98 -0.27 0.67 -1.99 -1.26 -1.81 116.97 112.73 3jx5 h TYR 441 Ca -0.03 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 3jx5 h TYR 441 Cb 0.47 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.92 3jx5 h TYR 441 CO -0.11 0.15 -0.57 0.82 -0.00 0.00 0.00 178.16 178.45 3jx5 h ILE 442 N 0.64 1.27 -0.52 -2.88 2.04 -0.53 -1.06 117.51 116.47 3jx5 h ILE 442 Ca 0.60 -1.75 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 3jx5 h ILE 442 Cb 1.11 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3jx5 h ILE 442 CO -0.40 0.57 0.01 0.00 0.00 0.00 0.00 178.15 178.33 3jx5 h ASN 444 N 0.82 0.76 0.95 0.00 2.35 -1.20 -1.89 115.58 117.37 3jx5 h ASN 444 Ca 0.16 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3jx5 h ASN 444 Cb 0.48 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.65 3jx5 h ASN 444 CO 0.02 0.83 -0.47 -0.74 -1.65 0.00 0.00 177.43 175.42 3jx5 h HIS 445 N 0.74 -1.24 -0.78 1.19 2.76 -0.63 -0.93 115.15 116.26 3jx5 h HIS 445 Ca 0.14 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.45 3jx5 h HIS 445 Cb 0.46 0.41 -0.11 0.00 1.55 0.00 0.00 27.41 29.72 3jx5 h HIS 445 CO 0.02 -0.76 0.28 0.28 -1.30 0.00 0.00 177.93 176.46 3jx5 h VAL 446 N -1.30 0.58 -0.12 5.26 2.07 -0.90 0.19 116.25 122.03 3jx5 h VAL 446 Ca -0.13 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3jx5 h VAL 446 Cb 1.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3jx5 h VAL 446 CO 0.20 0.07 -0.23 0.50 0.02 0.00 0.00 177.57 178.13 3jx5 h LYS 447 N 0.39 0.37 0.07 1.57 3.64 -1.26 -0.54 116.57 120.81 3jx5 h LYS 447 Ca 0.44 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3jx5 h LYS 447 Cb 0.73 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3jx5 h LYS 447 CO -0.46 0.83 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.46 3jx5 h TYR 448 N -0.04 -0.47 -0.79 1.91 3.20 -0.74 -2.40 116.97 117.64 3jx5 h TYR 448 Ca 0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3jx5 h TYR 448 Cb 0.82 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 3jx5 h TYR 448 CO 0.10 -0.26 0.44 0.00 -1.64 0.00 0.00 178.16 176.80 3jx5 h ALA 449 N 0.53 1.01 -0.07 1.82 0.00 -0.63 -3.23 119.26 118.68 3jx5 h ALA 449 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3jx5 h ALA 449 Cb 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jx5 h ALA 449 CO -0.12 0.51 0.02 1.15 0.00 0.00 0.00 179.25 180.81 3jx5 h THR 450 N 1.09 1.19 -6.30 0.00 2.02 -1.08 0.34 112.91 110.17 3jx5 h THR 450 Ca 0.28 -0.59 -0.47 0.00 0.77 0.00 0.00 66.41 66.39 3jx5 h THR 450 Cb 0.02 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3jx5 h THR 450 CO -0.05 0.17 -0.77 -3.20 0.37 0.00 0.00 175.52 172.05 3jx5 n ASN 451 N -4.90 -4.54 -2.30 4.18 5.15 -0.91 -0.68 115.26 111.26 3jx5 n ASN 451 Ca -0.06 -0.79 -0.17 0.00 -0.60 0.00 0.00 54.58 52.96 3jx5 n ASN 451 Cb 0.15 -3.87 -0.02 0.00 -0.53 0.00 0.00 39.78 35.52 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 -4.66 -1.87 0.00 1.20 5.02 -1.26 -2.04 118.16 114.55 3jx5 n LYS 452 Ca 0.02 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3jx5 n LYS 452 Cb 0.53 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.12 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 -0.84 2.54 3.20 0.72 0.00 0.14 -4.96 105.19 106.00 3jx5 n GLY 453 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 5.49 -4.77 1.61 4.05 -0.86 -1.26 115.26 119.52 3jx5 n ASN 454 Ca 0.00 -3.11 -0.38 0.00 0.45 0.00 0.00 54.58 51.54 3jx5 n ASN 454 Cb 0.00 -1.45 -0.00 0.00 1.23 0.00 0.00 39.78 39.56 3jx5 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx5 s LEU 455 N -0.35 4.08 0.02 1.20 1.43 -1.24 -4.52 118.68 119.30 3jx5 s LEU 455 Ca 0.37 2.49 0.06 0.00 -1.03 0.00 0.00 54.13 56.02 3jx5 s LEU 455 Cb 0.00 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3jx5 s LEU 455 CO 0.00 -0.96 -0.18 -0.13 0.23 0.00 0.00 176.35 175.32 3jx5 s ARG 456 N -2.52 1.29 0.29 1.70 0.52 0.11 -5.01 118.95 115.33 3jx5 s ARG 456 Ca 0.62 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 3jx5 s ARG 456 Cb -0.34 -1.31 -0.10 0.00 0.52 0.00 0.00 34.95 33.72 3jx5 s ARG 456 CO 0.42 0.34 1.30 -1.12 0.02 0.00 0.00 175.30 176.26 3jx5 s SER 457 N -0.80 6.84 0.02 0.23 0.01 -1.26 -4.52 113.70 114.20 3jx5 s SER 457 Ca 0.06 2.58 -0.23 0.00 1.31 0.00 0.00 55.95 59.68 3jx5 s SER 457 Cb -0.08 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.57 3jx5 s SER 457 CO 0.01 -0.51 0.52 0.00 0.41 0.00 0.00 173.24 173.66 3jx5 s ALA 458 N -0.76 -1.32 0.01 1.44 0.00 -1.09 -1.85 121.76 118.18 3jx5 s ALA 458 Ca 0.51 0.69 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3jx5 s ALA 458 Cb -0.39 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3jx5 s ALA 458 CO 0.48 -0.44 -0.08 -1.50 0.00 0.00 0.00 175.76 174.22 3jx5 s ILE 459 N -2.04 0.59 -0.15 0.00 2.07 -0.27 -1.75 121.20 119.65 3jx5 s ILE 459 Ca -0.08 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 3jx5 s ILE 459 Cb -0.01 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.04 3jx5 s ILE 459 CO 0.01 0.02 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.99 3jx5 s THR 460 N -0.49 2.33 -0.33 4.00 2.01 -0.49 -0.28 115.64 122.40 3jx5 s THR 460 Ca -0.00 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 3jx5 s THR 460 Cb -0.05 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 70.55 3jx5 s THR 460 CO 0.00 0.53 0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 3jx5 s ILE 461 N 0.82 3.47 0.94 1.82 1.01 -0.06 -3.11 121.20 126.09 3jx5 s ILE 461 Ca -0.06 -1.29 -0.14 0.00 0.00 0.00 0.00 60.65 59.16 3jx5 s ILE 461 Cb -0.15 -3.00 0.16 0.00 0.01 0.00 0.00 42.46 39.47 3jx5 s ILE 461 CO -0.01 -0.19 1.18 -0.36 0.00 0.00 0.00 174.94 175.55 3jx5 s PHE 462 N 1.33 2.12 0.55 3.97 0.08 -1.01 -1.01 117.98 124.01 3jx5 s PHE 462 Ca -0.02 0.68 -0.21 0.00 0.12 0.00 0.00 56.93 57.50 3jx5 s PHE 462 Cb -0.20 -3.57 -0.05 0.00 -0.57 0.00 0.00 43.02 38.64 3jx5 s PHE 462 CO 0.01 -2.54 1.27 -2.14 -0.10 0.00 0.00 175.22 171.73 3jx5 s PRO 463 N -5.47 3.17 0.65 0.24 0.02 -1.26 -4.66 135.00 127.70 3jx5 s PRO 463 Ca 0.67 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.57 3jx5 s PRO 463 Cb -0.11 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 3jx5 s PRO 463 CO 0.53 -1.10 1.08 1.14 -0.33 0.00 0.00 177.00 178.31 3jx5 s GLN 464 N -3.01 2.99 0.33 5.54 -2.07 -1.26 -4.61 119.66 117.56 3jx5 s GLN 464 Ca 0.72 1.21 -0.26 0.00 -1.82 0.00 0.00 55.36 55.21 3jx5 s GLN 464 Cb -0.35 -1.99 -0.13 0.00 -1.09 0.00 0.00 33.01 29.45 3jx5 s GLN 464 CO 0.41 -1.08 0.87 -2.13 -1.32 0.00 0.00 175.29 172.04 3jx5 n ARG 465 N -2.50 1.06 0.00 9.60 0.63 0.13 -4.93 116.66 120.64 3jx5 n ARG 465 Ca 0.09 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 3jx5 n ARG 465 Cb 0.53 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -0.15 0.00 0.78 5.15 -2.24 -1.26 -4.79 114.28 111.77 3jx5 n THR 466 Ca 0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 3jx5 n THR 466 Cb 0.34 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.05 2.00 0.00 3.42 5.68 -1.26 -4.97 116.55 120.38 3jx5 n ASP 467 Ca 0.00 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3jx5 n ASP 467 Cb 0.00 0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3jx5 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx5 n GLY 468 N 1.16 0.72 0.48 6.12 0.00 -1.26 -4.85 105.19 107.55 3jx5 n GLY 468 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.50 1.18 -1.41 1.61 5.02 -1.26 -4.63 118.16 116.18 3jx5 n LYS 469 Ca 0.00 -1.15 0.01 0.00 -2.02 0.00 0.00 58.31 55.15 3jx5 n LYS 469 Cb 0.00 -1.24 0.09 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.50 0.44 -2.28 2.13 8.25 -1.26 -4.26 115.22 118.74 3jx5 n HIS 470 Ca 0.07 -1.23 -0.40 0.00 -0.26 0.00 0.00 57.72 55.90 3jx5 n HIS 470 Cb 0.32 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 -2.83 6.95 -0.14 0.41 1.11 -1.26 -3.70 116.67 117.22 3jx5 s ASP 471 Ca 0.36 2.48 -0.17 0.00 0.18 0.00 0.00 52.55 55.40 3jx5 s ASP 471 Cb 0.38 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 3jx5 s ASP 471 CO -0.10 -0.38 0.43 -0.36 1.18 0.00 0.00 175.17 175.94 3jx5 s PHE 472 N -1.18 3.48 -0.04 4.23 0.40 -1.26 -1.25 117.98 122.36 3jx5 s PHE 472 Ca 0.48 0.79 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 3jx5 s PHE 472 Cb -0.36 -2.51 0.02 0.00 0.51 0.00 0.00 43.02 40.68 3jx5 s PHE 472 CO 0.46 0.15 0.09 1.03 0.70 0.00 0.00 175.22 177.65 3jx5 s ARG 473 N 0.73 0.08 -0.32 0.44 1.81 -0.32 -2.79 118.95 118.58 3jx5 s ARG 473 Ca 0.23 0.18 -0.19 0.00 -1.72 0.00 0.00 55.73 54.22 3jx5 s ARG 473 Cb -0.15 -0.04 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 3jx5 s ARG 473 CO 0.08 -0.06 0.59 0.08 -0.68 0.00 0.00 175.30 175.31 3jx5 s VAL 474 N 0.40 4.97 0.16 3.52 1.01 -1.26 -1.14 120.40 128.06 3jx5 s VAL 474 Ca -0.03 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3jx5 s VAL 474 Cb -0.04 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3jx5 s VAL 474 CO -0.02 -0.15 1.43 -0.50 0.00 0.00 0.00 175.10 175.86 3jx5 h TRP 475 N 8.27 0.71 -2.57 5.22 4.06 -1.45 -3.42 115.95 126.78 3jx5 h TRP 475 Ca -0.27 -0.29 -0.60 0.00 2.06 0.00 0.00 58.89 59.79 3jx5 h TRP 475 Cb 1.12 -0.12 0.15 0.00 -1.00 0.00 0.00 29.16 29.32 3jx5 h TRP 475 CO 0.75 1.06 -0.35 0.09 -3.56 0.00 0.00 178.44 176.43 3jx5 n ASN 476 N -3.90 -0.72 0.06 -3.49 4.13 -1.26 -4.91 115.26 105.17 3jx5 n ASN 476 Ca -0.05 0.88 -0.04 0.00 1.68 0.00 0.00 54.58 57.06 3jx5 n ASN 476 Cb 0.68 -1.15 -0.08 0.00 -1.54 0.00 0.00 39.78 37.69 3jx5 n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3jx5 h SER 477 N 0.73 0.00 -4.63 6.41 4.64 -1.91 -3.36 113.55 115.44 3jx5 h SER 477 Ca -0.42 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.64 3jx5 h SER 477 Cb 1.39 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.31 3jx5 h SER 477 CO 0.51 0.80 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.45 3jx5 s GLN 478 N -2.79 0.73 0.29 4.77 -0.21 -1.26 -1.51 119.66 119.68 3jx5 s GLN 478 Ca 0.00 -1.11 0.05 0.00 0.02 0.00 0.00 55.36 54.33 3jx5 s GLN 478 Cb 0.09 -0.28 0.45 0.00 1.00 0.00 0.00 33.01 34.27 3jx5 s GLN 478 CO 0.80 0.02 1.71 -0.07 -2.12 0.00 0.00 175.29 175.64 3jx5 h LEU 479 N 3.59 0.32 -7.80 2.90 3.38 -1.55 -3.39 115.31 112.76 3jx5 h LEU 479 Ca -0.36 -0.12 -0.63 0.00 0.09 0.00 0.00 57.88 56.85 3jx5 h LEU 479 Cb 1.18 -0.09 -0.37 0.00 0.09 0.00 0.00 40.66 41.47 3jx5 h LEU 479 CO 0.55 0.66 -0.81 -0.63 0.09 0.00 0.00 178.44 178.30 3jx5 s ILE 480 N -4.28 1.79 0.05 1.22 1.01 -1.26 -4.87 121.20 114.86 3jx5 s ILE 480 Ca -0.05 -1.20 -0.12 0.00 0.00 0.00 0.00 60.65 59.28 3jx5 s ILE 480 Cb 0.14 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3jx5 s ILE 480 CO 0.78 0.10 0.25 -0.13 0.00 0.00 0.00 174.94 175.94 3jx5 s ARG 481 N 1.31 0.78 0.14 2.79 0.52 -1.26 -4.88 118.95 118.36 3jx5 s ARG 481 Ca -0.04 -0.63 -0.13 0.00 -0.52 0.00 0.00 55.73 54.42 3jx5 s ARG 481 Cb -0.17 0.33 -0.07 0.00 0.52 0.00 0.00 34.95 35.56 3jx5 s ARG 481 CO -0.07 -0.25 0.53 0.71 0.02 0.00 0.00 175.30 176.24 3jx5 s TYR 482 N -2.81 3.58 0.81 -0.53 4.12 -1.26 -0.36 117.35 120.90 3jx5 s TYR 482 Ca -0.03 1.00 -0.11 0.00 0.02 0.00 0.00 57.07 57.95 3jx5 s TYR 482 Cb 0.00 -2.32 0.07 0.00 -1.52 0.00 0.00 41.96 38.19 3jx5 s TYR 482 CO -0.05 0.43 1.09 0.00 0.02 0.00 0.00 175.55 177.03 3jx5 s ALA 483 N -1.49 2.11 -0.06 3.71 0.00 -0.65 -4.45 121.76 120.93 3jx5 s ALA 483 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3jx5 s ALA 483 Cb -0.14 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3jx5 s ALA 483 CO 0.19 -1.84 -0.04 0.20 0.00 0.00 0.00 175.76 174.27 3jx5 s GLY 484 N -3.64 0.53 -0.08 0.00 0.00 -1.23 -0.66 107.32 102.24 3jx5 s GLY 484 Ca 0.61 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.20 3jx5 s GLY 484 CO 0.56 0.72 -0.19 -0.19 0.00 0.00 0.00 173.10 174.00 3jx5 s TYR 485 N 1.39 2.04 0.02 1.90 1.51 -0.54 -4.30 117.35 119.37 3jx5 s TYR 485 Ca -0.03 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 54.93 3jx5 s TYR 485 Cb -0.13 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3jx5 s TYR 485 CO -0.03 -0.34 1.06 0.15 -1.11 0.00 0.00 175.55 175.28 3jx5 s LYS 486 N 0.46 4.51 0.00 -0.62 1.02 -1.26 -1.67 119.74 122.18 3jx5 s LYS 486 Ca -0.16 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.37 3jx5 s LYS 486 Cb -0.17 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 3jx5 s LYS 486 CO 0.06 -0.13 0.07 -0.65 -0.92 0.00 0.00 175.35 173.79 3jx5 s GLN 487 N 1.06 3.03 0.49 1.68 -0.21 -0.97 -4.97 119.66 119.76 3jx5 s GLN 487 Ca 0.54 -0.51 0.27 0.00 0.02 0.00 0.00 55.36 55.68 3jx5 s GLN 487 Cb -0.24 -2.83 1.35 0.00 1.00 0.00 0.00 33.01 32.29 3jx5 s GLN 487 CO 0.28 0.64 1.86 -1.35 -2.12 0.00 0.00 175.29 174.60 3jx5 h PRO 488 N 4.04 0.14 -0.75 2.91 0.11 -1.97 0.97 132.00 137.46 3jx5 h PRO 488 Ca -0.49 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.78 3jx5 h PRO 488 Cb 1.18 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 3jx5 h PRO 488 CO 0.62 0.09 0.18 0.22 -0.21 0.00 0.00 178.00 178.91 3jx5 h ASP 489 N 0.15 0.01 0.00 -2.05 1.82 -2.03 -3.47 116.42 110.85 3jx5 h ASP 489 Ca 0.47 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 3jx5 h ASP 489 Cb 1.62 0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.84 3jx5 h ASP 489 CO -0.08 -0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.11 3jx5 n GLY 490 N -1.36 2.33 0.00 -0.78 0.00 0.34 -5.11 105.19 100.60 3jx5 n GLY 490 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3jx5 n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx5 n SER 491 N 0.00 0.00 -4.16 1.61 3.41 -1.26 -4.77 113.62 108.45 3jx5 n SER 491 Ca 0.00 -0.17 -0.28 0.00 -0.26 0.00 0.00 58.87 58.16 3jx5 n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jx5 n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jx5 s THR 492 N 1.15 1.64 -0.21 6.66 2.01 -1.26 -2.30 115.64 123.33 3jx5 s THR 492 Ca 0.00 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 3jx5 s THR 492 Cb 0.00 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 3jx5 s THR 492 CO 0.00 0.47 0.11 -0.22 -0.69 0.00 0.00 174.62 174.29 3jx5 s LEU 493 N 0.15 4.02 0.00 4.42 2.96 -0.67 -4.96 118.68 124.60 3jx5 s LEU 493 Ca -0.08 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3jx5 s LEU 493 Cb -0.14 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3jx5 s LEU 493 CO 0.04 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 3jx5 n GLY 494 N 3.76 -0.10 3.56 7.98 0.00 -1.26 -1.46 105.19 117.67 3jx5 n GLY 494 Ca -0.16 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 6.45 0.60 1.61 -1.08 0.17 -4.76 116.67 115.66 3jx5 s ASP 495 Ca 0.00 0.03 0.38 0.00 -0.52 0.00 0.00 52.55 52.44 3jx5 s ASP 495 Cb 0.00 -2.39 1.82 0.00 -1.46 0.00 0.00 42.92 40.89 3jx5 s ASP 495 CO 0.00 -0.86 2.15 -0.65 0.52 0.00 0.00 175.17 176.34 3jx5 h PRO 496 N 8.83 0.00 0.00 4.34 0.11 -1.79 -2.47 132.00 141.01 3jx5 h PRO 496 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3jx5 h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jx5 h PRO 496 CO 0.94 0.01 -0.03 0.00 -0.21 0.00 0.00 178.00 178.71 3jx5 h ALA 497 N 1.99 1.72 -0.29 -0.75 0.00 -1.92 -3.18 119.26 116.84 3jx5 h ALA 497 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jx5 h ALA 497 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jx5 h ALA 497 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3jx5 n ASN 498 N -4.17 3.57 -0.05 0.00 3.02 -0.93 -4.72 115.26 111.98 3jx5 n ASN 498 Ca -0.03 -2.69 -0.10 0.00 -0.03 0.00 0.00 54.58 51.73 3jx5 n ASN 498 Cb 0.11 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 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 1.86 1.09 -0.08 2.41 2.07 -1.63 0.13 116.25 122.09 3jx5 h VAL 499 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3jx5 h VAL 499 Cb 1.21 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3jx5 h VAL 499 CO 0.15 0.08 0.05 -0.61 0.02 0.00 0.00 177.57 177.26 3jx5 h GLN 500 N 0.25 0.11 -0.40 1.57 4.15 -1.86 -2.23 115.11 116.71 3jx5 h GLN 500 Ca 0.07 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3jx5 h GLN 500 Cb 0.03 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3jx5 h GLN 500 CO -0.01 0.15 0.15 0.35 -1.93 0.00 0.00 178.83 177.53 3jx5 h PHE 501 N 0.05 0.62 -1.02 3.99 3.57 -1.86 -1.20 116.94 121.08 3jx5 h PHE 501 Ca 0.03 -0.05 0.25 0.00 3.53 0.00 0.00 57.97 61.73 3jx5 h PHE 501 Cb 0.07 -0.18 -0.11 0.00 2.79 0.00 0.00 35.95 38.51 3jx5 h PHE 501 CO -0.05 0.56 0.62 1.15 -2.23 0.00 0.00 178.31 178.37 3jx5 h THR 502 N 0.50 0.54 -0.01 4.41 2.02 -0.91 0.11 112.91 119.56 3jx5 h THR 502 Ca 0.13 -0.18 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 3jx5 h THR 502 Cb 0.22 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3jx5 h THR 502 CO -0.01 0.10 -0.86 -0.08 0.37 0.00 0.00 175.52 175.04 3jx5 h GLU 503 N 0.53 0.24 -0.15 6.66 4.81 -0.61 -1.23 114.58 124.82 3jx5 h GLU 503 Ca 0.63 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 3jx5 h GLU 503 Cb 1.31 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 3jx5 h GLU 503 CO -0.41 0.96 -0.28 0.82 -0.73 0.00 0.00 179.01 179.36 3jx5 h ILE 504 N 0.14 1.26 -0.32 2.32 2.04 -0.27 0.20 117.51 122.88 3jx5 h ILE 504 Ca -0.05 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 3jx5 h ILE 504 Cb 1.48 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3jx5 h ILE 504 CO 0.13 0.37 0.06 0.00 0.00 0.00 0.00 178.15 178.72 3jx5 h ILE 506 N 0.36 1.27 0.00 0.00 2.04 -0.93 -0.59 117.51 119.66 3jx5 h ILE 506 Ca 0.10 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3jx5 h ILE 506 Cb 0.33 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3jx5 h ILE 506 CO 0.00 0.46 0.00 -0.61 0.00 0.00 0.00 178.15 178.00 3jx5 h GLN 507 N 0.82 0.00 -0.01 2.37 4.15 -0.60 -1.70 115.11 120.13 3jx5 h GLN 507 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3jx5 h GLN 507 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3jx5 h GLN 507 CO 0.06 0.00 -0.19 1.04 -1.93 0.00 0.00 178.83 177.80 3jx5 n GLN 508 N -2.50 1.32 0.00 1.69 1.13 -0.54 -4.96 117.38 113.51 3jx5 n GLN 508 Ca 0.03 -0.89 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 3jx5 n GLN 508 Cb 0.32 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 1.31 1.45 3.74 1.08 0.00 -0.64 -4.93 105.19 107.20 3jx5 n GLY 509 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3jx5 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx5 s TRP 510 N -2.00 3.36 -0.49 1.61 -0.00 -0.29 -4.99 118.94 116.14 3jx5 s TRP 510 Ca 0.00 1.39 -0.26 0.00 -0.00 0.00 0.00 56.10 57.24 3jx5 s TRP 510 Cb 0.00 -3.48 0.03 0.00 -0.00 0.00 0.00 33.47 30.02 3jx5 s TRP 510 CO 0.00 -1.38 0.96 0.15 -0.00 0.00 0.00 176.95 176.69 3jx5 s LYS 511 N -0.44 3.50 -0.11 5.86 1.02 -1.26 -4.60 119.74 123.72 3jx5 s LYS 511 Ca 0.53 0.12 -0.22 0.00 0.02 0.00 0.00 55.97 56.42 3jx5 s LYS 511 Cb -0.34 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 3jx5 s LYS 511 CO 0.39 -1.32 0.64 0.00 -0.92 0.00 0.00 175.35 174.13 3jx5 s ALA 512 N 3.94 3.42 -0.21 5.17 0.00 -1.26 -4.95 121.76 127.87 3jx5 s ALA 512 Ca 0.37 -0.03 0.29 0.00 0.00 0.00 0.00 51.96 52.58 3jx5 s ALA 512 Cb -0.10 -2.89 1.12 0.00 0.00 0.00 0.00 23.12 21.25 3jx5 s ALA 512 CO 0.25 -0.19 1.84 -1.35 0.00 0.00 0.00 175.76 176.32 3jx5 h PRO 513 N 6.92 0.00 -5.57 0.00 0.11 -1.98 -3.47 132.00 128.00 3jx5 h PRO 513 Ca -0.39 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.43 3jx5 h PRO 513 Cb 1.18 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.47 3jx5 h PRO 513 CO 0.76 0.00 -0.80 0.54 -0.21 0.00 0.00 178.00 178.29 3jx5 n ARG 514 N -2.71 -4.96 -1.96 1.05 1.74 -1.26 -5.04 116.66 103.52 3jx5 n ARG 514 Ca 0.02 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 3jx5 n ARG 514 Cb 0.30 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 25.88 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 -1.17 4.25 0.09 -0.13 0.00 -1.26 -5.07 105.19 101.89 3jx5 n GLY 515 Ca -0.21 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 0.15 -1.51 1.61 2.43 -1.94 -3.38 114.38 111.73 3jx5 h ARG 516 Ca 0.00 -0.24 -0.50 0.00 -0.81 0.00 0.00 59.98 58.43 3jx5 h ARG 516 Cb 0.00 0.09 -0.41 0.00 -0.42 0.00 0.00 29.97 29.22 3jx5 h ARG 516 CO 0.00 1.09 -0.93 1.19 -1.51 0.00 0.00 179.97 179.82 3jx5 n PHE 517 N -3.47 2.38 -2.92 2.20 3.01 -1.26 -4.15 117.46 113.25 3jx5 n PHE 517 Ca -0.04 -3.22 -0.43 0.00 1.01 0.00 0.00 57.45 54.77 3jx5 n PHE 517 Cb 0.96 -0.28 -0.05 0.00 -0.01 0.00 0.00 39.48 40.10 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 -3.26 6.48 0.05 4.37 1.01 -1.26 -4.94 116.67 119.12 3jx5 s ASP 518 Ca 0.40 0.09 -0.31 0.00 0.71 0.00 0.00 52.55 53.44 3jx5 s ASP 518 Cb 0.40 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.82 3jx5 s ASP 518 CO -0.09 -0.90 1.91 0.52 0.21 0.00 0.00 175.17 176.82 3jx5 n VAL 519 N 6.11 0.59 -1.99 -1.27 0.31 -1.26 -1.63 118.33 119.20 3jx5 n VAL 519 Ca 0.04 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.90 3jx5 n VAL 519 Cb 0.48 -2.18 0.03 0.00 -0.91 0.00 0.00 33.84 31.27 3jx5 n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3jx5 s LEU 520 N 3.73 3.63 0.50 7.52 1.43 0.51 -4.91 118.68 131.10 3jx5 s LEU 520 Ca 0.87 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 56.14 3jx5 s LEU 520 Cb -0.49 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.06 3jx5 s LEU 520 CO 0.42 -1.60 0.97 -2.16 0.23 0.00 0.00 176.35 174.21 3jx5 s PRO 521 N -3.41 3.98 0.31 1.29 0.04 -1.26 -4.76 135.00 131.19 3jx5 s PRO 521 Ca 0.76 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 3jx5 s PRO 521 Cb -0.29 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 3jx5 s PRO 521 CO 0.34 -0.23 0.99 -0.51 0.04 0.00 0.00 177.00 177.62 3jx5 s LEU 522 N -3.94 4.41 -0.24 -3.56 1.43 0.26 -4.87 118.68 112.18 3jx5 s LEU 522 Ca 0.59 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.67 3jx5 s LEU 522 Cb -0.10 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.27 3jx5 s LEU 522 CO 0.29 -0.10 -0.12 -0.76 0.23 0.00 0.00 176.35 175.89 3jx5 s LEU 523 N -1.86 3.02 -0.06 1.79 1.43 -1.26 -1.86 118.68 119.88 3jx5 s LEU 523 Ca 0.48 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3jx5 s LEU 523 Cb -0.23 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3jx5 s LEU 523 CO 0.29 -0.12 -0.24 -0.76 0.23 0.00 0.00 176.35 175.75 3jx5 s LEU 524 N 1.22 2.06 -0.18 1.79 1.43 -0.71 -1.13 118.68 123.16 3jx5 s LEU 524 Ca -0.02 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3jx5 s LEU 524 Cb -0.17 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.74 3jx5 s LEU 524 CO -0.07 0.23 -0.08 -1.58 0.23 0.00 0.00 176.35 175.08 3jx5 s GLN 525 N -0.12 1.78 -0.13 1.70 0.74 -0.29 -0.28 119.66 123.05 3jx5 s GLN 525 Ca -0.04 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 3jx5 s GLN 525 Cb -0.14 -2.19 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 3jx5 s GLN 525 CO 0.04 -0.41 -0.11 0.00 -0.55 0.00 0.00 175.29 174.26 3jx5 s ALA 526 N 1.51 2.73 -1.52 1.58 0.00 -1.26 -1.18 121.76 123.63 3jx5 s ALA 526 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 3jx5 s ALA 526 Cb -0.15 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 21.76 3jx5 s ALA 526 CO -0.08 0.27 1.00 -1.71 0.00 0.00 0.00 175.76 175.24 3jx5 n ASN 527 N 3.41 -5.04 0.00 0.00 2.85 -1.20 -0.95 115.26 114.33 3jx5 n ASN 527 Ca -0.18 -0.74 0.00 0.00 -0.11 0.00 0.00 54.58 53.55 3jx5 n ASN 527 Cb 0.53 -4.01 0.00 0.00 1.24 0.00 0.00 39.78 37.54 3jx5 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jx5 n GLY 528 N -1.72 0.35 3.87 8.20 0.00 -0.38 -4.55 105.19 110.95 3jx5 n GLY 528 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 6.26 0.16 1.61 0.01 -0.13 -4.91 114.94 115.92 3jx5 s ASN 529 Ca 0.00 1.39 -0.32 0.00 -0.71 0.00 0.00 52.86 53.22 3jx5 s ASN 529 Cb 0.00 -2.46 -0.17 0.00 0.41 0.00 0.00 41.25 39.04 3jx5 s ASN 529 CO 0.00 -0.83 0.94 0.47 -1.51 0.00 0.00 177.10 176.17 3jx5 n ASP 530 N -2.64 0.29 -4.87 -1.22 10.43 -1.26 -4.43 116.55 112.84 3jx5 n ASP 530 Ca 0.06 1.15 -0.31 0.00 2.57 0.00 0.00 54.79 58.26 3jx5 n ASP 530 Cb 0.54 -1.08 0.01 0.00 1.84 0.00 0.00 41.12 42.42 3jx5 n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jx5 s PRO 531 N -0.60 3.61 0.03 -0.24 0.04 -1.26 -4.77 135.00 131.80 3jx5 s PRO 531 Ca 0.73 0.68 0.07 0.00 0.04 0.00 0.00 61.00 62.51 3jx5 s PRO 531 Cb -0.95 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3jx5 s PRO 531 CO 0.55 -0.50 -0.19 -1.21 0.04 0.00 0.00 177.00 175.69 3jx5 s GLU 532 N -5.05 1.38 0.32 4.56 2.02 0.61 -4.82 118.70 117.72 3jx5 s GLU 532 Ca 0.54 -0.84 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 3jx5 s GLU 532 Cb -0.11 -1.43 -0.10 0.00 0.10 0.00 0.00 34.13 32.59 3jx5 s GLU 532 CO 0.51 0.37 0.88 -0.51 0.02 0.00 0.00 175.26 176.54 3jx5 s LEU 533 N -0.96 4.24 -0.20 1.80 1.43 -1.26 -1.74 118.68 121.99 3jx5 s LEU 533 Ca 0.07 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 3jx5 s LEU 533 Cb -0.08 -4.04 0.07 0.00 0.03 0.00 0.00 46.19 42.17 3jx5 s LEU 533 CO 0.01 -0.12 0.48 -0.36 0.23 0.00 0.00 176.35 176.59 3jx5 s PHE 534 N -1.74 -0.77 0.12 0.29 0.40 -0.78 -4.97 117.98 110.53 3jx5 s PHE 534 Ca 0.51 1.56 -0.29 0.00 -0.60 0.00 0.00 56.93 58.12 3jx5 s PHE 534 Cb -0.16 0.38 -0.06 0.00 0.51 0.00 0.00 43.02 43.69 3jx5 s PHE 534 CO 0.20 -0.43 0.90 -1.14 0.70 0.00 0.00 175.22 175.46 3jx5 s GLN 535 N 1.78 4.67 0.03 0.44 2.00 -1.26 -0.57 119.66 126.74 3jx5 s GLN 535 Ca -0.08 1.36 -0.30 0.00 -2.00 0.00 0.00 55.36 54.33 3jx5 s GLN 535 Cb -0.09 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3jx5 s GLN 535 CO -0.15 0.31 1.28 0.42 -0.50 0.00 0.00 175.29 176.66 3jx5 s ILE 536 N -0.31 3.89 -0.44 -2.34 1.01 -1.26 -4.92 121.20 116.82 3jx5 s ILE 536 Ca 0.43 1.31 -0.44 0.00 0.00 0.00 0.00 60.65 61.95 3jx5 s ILE 536 Cb -0.23 -3.84 -0.18 0.00 0.01 0.00 0.00 42.46 38.22 3jx5 s ILE 536 CO 0.29 0.05 1.73 -2.65 0.00 0.00 0.00 174.94 174.35 3jx5 n PRO 537 N 4.63 0.35 0.00 2.79 -0.02 -1.26 -4.76 135.00 136.74 3jx5 n PRO 537 Ca 0.11 0.13 0.20 0.00 -2.02 0.00 0.00 63.50 61.92 3jx5 n PRO 537 Cb 0.45 -1.70 0.69 0.00 -0.02 0.00 0.00 33.50 32.92 3jx5 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx5 h PRO 538 N 6.34 0.00 0.00 0.52 0.11 -1.96 0.27 132.00 137.29 3jx5 h PRO 538 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3jx5 h PRO 538 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3jx5 h PRO 538 CO 0.99 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 3jx5 n GLU 539 N -4.37 0.15 0.02 1.05 0.00 -1.26 -2.33 120.64 113.90 3jx5 n GLU 539 Ca 0.10 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.89 3jx5 n GLU 539 Cb 0.60 -1.89 0.03 0.00 0.00 0.00 0.00 31.44 30.19 3jx5 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx5 n LEU 540 N -2.20 0.64 -4.40 -1.84 4.77 0.95 -4.74 117.00 110.18 3jx5 n LEU 540 Ca 0.00 -0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.46 3jx5 n LEU 540 Cb 0.12 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3jx5 n LEU 540 CO 0.14 0.08 0.73 -0.69 -1.33 0.00 0.00 177.39 176.32 3jx5 s VAL 541 N -3.15 5.10 -0.12 4.08 1.01 -0.99 -4.82 120.40 121.52 3jx5 s VAL 541 Ca 0.05 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.81 3jx5 s VAL 541 Cb 0.15 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3jx5 s VAL 541 CO 0.80 -1.30 1.57 -0.22 0.00 0.00 0.00 175.10 175.95 3jx5 s LEU 542 N 1.65 4.18 0.12 3.92 2.96 -1.26 -4.99 118.68 125.25 3jx5 s LEU 542 Ca 0.26 1.97 0.11 0.00 -0.22 0.00 0.00 54.13 56.24 3jx5 s LEU 542 Cb -0.08 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3jx5 s LEU 542 CO -0.09 -0.99 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.09 3jx5 s GLU 543 N 4.12 1.48 -0.18 1.98 2.02 -1.26 -0.45 118.70 126.42 3jx5 s GLU 543 Ca 0.69 -1.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.37 3jx5 s GLU 543 Cb -0.29 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3jx5 s GLU 543 CO 0.27 0.46 -0.15 0.08 0.02 0.00 0.00 175.26 175.93 3jx5 s VAL 544 N -1.06 2.57 0.27 2.63 1.01 0.16 -4.90 120.40 121.08 3jx5 s VAL 544 Ca 0.14 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3jx5 s VAL 544 Cb -0.10 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 3jx5 s VAL 544 CO 0.06 0.51 1.33 -2.84 0.00 0.00 0.00 175.10 174.16 3jx5 s PRO 545 N 1.11 4.36 -0.43 2.72 0.02 -1.26 -1.41 135.00 140.11 3jx5 s PRO 545 Ca 0.00 2.17 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 3jx5 s PRO 545 Cb -0.14 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.28 3jx5 s PRO 545 CO -0.05 -0.24 0.40 0.42 -0.33 0.00 0.00 177.00 177.20 3jx5 s ILE 546 N -0.51 5.14 0.34 2.83 -1.09 0.30 -4.83 121.20 123.37 3jx5 s ILE 546 Ca 0.53 -0.52 0.10 0.00 -2.23 0.00 0.00 60.65 58.53 3jx5 s ILE 546 Cb -0.39 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 36.39 3jx5 s ILE 546 CO 0.46 -0.43 -0.10 0.00 -1.23 0.00 0.00 174.94 173.64 3jx5 s ARG 547 N 1.98 1.81 -0.05 2.79 3.03 -1.26 -4.09 118.95 123.16 3jx5 s ARG 547 Ca 0.09 -1.93 0.02 0.00 2.03 0.00 0.00 55.73 55.94 3jx5 s ARG 547 Cb -0.18 -1.70 -0.03 0.00 -1.03 0.00 0.00 34.95 32.00 3jx5 s ARG 547 CO 0.12 0.15 -0.08 -1.58 -1.13 0.00 0.00 175.30 172.78 3jx5 s HIS 548 N -2.61 2.90 -0.42 5.89 2.46 -1.26 -4.32 115.29 117.93 3jx5 s HIS 548 Ca 0.32 -0.01 0.25 0.00 0.47 0.00 0.00 55.06 56.09 3jx5 s HIS 548 Cb 0.02 -1.67 1.02 0.00 -0.13 0.00 0.00 32.58 31.81 3jx5 s HIS 548 CO 0.16 0.33 1.75 -1.00 -2.47 0.00 0.00 174.74 173.52 3jx5 h PRO 549 N 5.05 0.00 0.00 2.88 0.13 -1.91 -3.30 132.00 134.85 3jx5 h PRO 549 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3jx5 h PRO 549 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jx5 h PRO 549 CO 0.52 0.00 -1.27 1.63 -0.23 0.00 0.00 178.00 178.66 3jx5 n LYS 550 N -2.37 0.44 -3.05 0.86 5.02 -1.26 -4.99 118.16 112.82 3jx5 n LYS 550 Ca 0.02 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3jx5 n LYS 550 Cb 0.26 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.09 3.02 0.21 2.13 2.99 -1.24 -4.95 117.98 118.04 3jx5 s PHE 551 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 56.93 56.76 3jx5 s PHE 551 Cb 0.02 -3.52 0.15 0.00 0.00 0.00 0.00 43.02 39.66 3jx5 s PHE 551 CO 0.11 -0.96 1.74 0.22 -0.00 0.00 0.00 175.22 176.33 3jx5 h ASP 552 N 8.96 1.07 0.36 1.36 3.58 -1.94 -2.96 116.42 126.85 3jx5 h ASP 552 Ca -0.25 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3jx5 h ASP 552 Cb 1.09 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.86 3jx5 h ASP 552 CO 0.94 1.01 0.00 -2.67 -2.88 0.00 0.00 179.24 175.63 3jx5 n TRP 553 N -4.24 0.57 -0.15 0.28 4.27 -1.26 -3.48 117.44 113.43 3jx5 n TRP 553 Ca 0.06 0.25 0.01 0.00 -3.89 0.00 0.00 57.50 53.93 3jx5 n TRP 553 Cb 0.24 -0.91 0.28 0.00 -1.36 0.00 0.00 31.31 29.56 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 0.82 -0.38 -2.67 3.57 -1.88 -2.86 116.94 113.54 3jx5 h PHE 554 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3jx5 h PHE 554 Cb 0.18 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3jx5 h PHE 554 CO 0.00 0.55 0.17 1.57 -2.23 0.00 0.00 178.31 178.37 3jx5 h LYS 555 N 0.87 0.52 0.00 1.11 2.10 -1.71 -1.89 116.57 117.58 3jx5 h LYS 555 Ca 0.23 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3jx5 h LYS 555 Cb -0.04 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 3jx5 h LYS 555 CO -0.04 0.42 0.00 -0.25 -2.00 0.00 0.00 179.45 177.57 3jx5 n ASP 556 N -4.41 0.00 0.21 7.07 8.00 -1.08 -0.96 116.55 125.38 3jx5 n ASP 556 Ca 0.02 -1.80 0.13 0.00 0.71 0.00 0.00 54.79 53.86 3jx5 n ASP 556 Cb 0.12 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.58 3jx5 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx5 h LEU 557 N 0.00 0.00 -0.43 0.64 3.38 -1.48 -3.48 115.31 113.95 3jx5 h LEU 557 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3jx5 h LEU 557 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 3jx5 h LEU 557 CO 0.00 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.81 3jx5 n GLY 558 N 0.79 0.15 3.78 0.83 0.00 -0.14 -5.01 105.19 105.59 3jx5 n GLY 558 Ca 0.03 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.94 4.45 0.03 0.99 1.43 -1.26 -4.99 118.68 115.38 3jx5 s LEU 559 Ca 0.24 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 3jx5 s LEU 559 Cb -0.10 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3jx5 s LEU 559 CO 0.29 0.18 0.01 -1.59 0.23 0.00 0.00 176.35 175.47 3jx5 s LYS 560 N -0.53 0.43 0.09 1.70 -2.85 -1.26 0.11 119.74 117.43 3jx5 s LYS 560 Ca 0.29 -0.73 0.01 0.00 -1.00 0.00 0.00 55.97 54.55 3jx5 s LYS 560 Cb -0.18 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 3jx5 s LYS 560 CO 0.17 -0.09 -0.06 -0.46 0.10 0.00 0.00 175.35 175.02 3jx5 s TRP 561 N -2.11 0.80 0.28 1.78 -0.11 -0.50 -4.95 118.94 114.12 3jx5 s TRP 561 Ca -0.10 -0.95 -0.17 0.00 1.22 0.00 0.00 56.10 56.10 3jx5 s TRP 561 Cb -0.05 -0.48 -0.09 0.00 -1.50 0.00 0.00 33.47 31.35 3jx5 s TRP 561 CO -0.03 -0.20 0.74 1.52 -4.62 0.00 0.00 176.95 174.35 3jx5 s TYR 562 N -3.68 3.51 -0.07 5.86 -0.85 -1.26 0.37 117.35 121.22 3jx5 s TYR 562 Ca 0.11 1.31 0.27 0.00 -0.52 0.00 0.00 57.07 58.24 3jx5 s TYR 562 Cb 0.06 -2.59 0.85 0.00 0.38 0.00 0.00 41.96 40.66 3jx5 s TYR 562 CO -0.06 0.20 1.79 0.78 -1.52 0.00 0.00 175.55 176.75 3jx5 h GLY 563 N 2.81 0.00 -7.70 5.49 0.00 -1.10 -3.45 103.07 99.12 3jx5 h GLY 563 Ca -0.48 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.16 3jx5 h GLY 563 CO 0.65 0.00 -0.65 -2.27 0.00 0.00 0.00 176.54 174.28 3jx5 s LEU 564 N -6.35 4.20 -0.12 3.11 2.96 -1.26 -4.56 118.68 116.67 3jx5 s LEU 564 Ca 0.03 -1.29 -0.21 0.00 -0.22 0.00 0.00 54.13 52.44 3jx5 s LEU 564 Cb 0.08 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3jx5 s LEU 564 CO 0.62 -0.32 0.63 -2.16 -1.32 0.00 0.00 176.35 173.80 3jx5 s PRO 565 N 1.31 4.35 -0.37 0.98 0.04 -1.26 -4.72 135.00 135.32 3jx5 s PRO 565 Ca -0.03 0.71 0.03 0.00 0.04 0.00 0.00 61.00 61.75 3jx5 s PRO 565 Cb -0.20 -3.48 0.16 0.00 0.04 0.00 0.00 34.50 31.01 3jx5 s PRO 565 CO 0.00 -0.01 0.38 0.00 0.04 0.00 0.00 177.00 177.42 3jx5 s ALA 566 N 1.10 -0.48 0.05 8.56 0.00 -1.26 -2.64 121.76 127.10 3jx5 s ALA 566 Ca 0.32 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 3jx5 s ALA 566 Cb -0.16 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 3jx5 s ALA 566 CO 0.14 -2.12 1.38 0.08 0.00 0.00 0.00 175.76 175.23 3jx5 s VAL 567 N 1.48 3.58 0.00 0.00 1.01 0.16 -1.36 120.40 125.26 3jx5 s VAL 567 Ca 0.17 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3jx5 s VAL 567 Cb -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3jx5 s VAL 567 CO -0.05 0.04 0.48 -1.54 0.00 0.00 0.00 175.10 174.04 3jx5 n SER 568 N 4.66 0.80 -0.78 3.32 3.41 -0.57 -1.13 113.62 123.33 3jx5 n SER 568 Ca 0.12 -1.23 0.07 0.00 -0.26 0.00 0.00 58.87 57.58 3jx5 n SER 568 Cb 0.43 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.11 2.98 -4.95 4.04 0.23 -1.22 -4.43 115.26 111.80 3jx5 n ASN 569 Ca 0.00 -1.91 -0.23 0.00 -0.53 0.00 0.00 54.58 51.91 3jx5 n ASN 569 Cb 0.20 -0.23 0.03 0.00 -2.08 0.00 0.00 39.78 37.70 3jx5 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3jx5 s MET 570 N -1.05 2.84 -0.14 -3.83 -1.94 -1.26 -4.42 119.30 109.49 3jx5 s MET 570 Ca 0.27 -0.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.83 3jx5 s MET 570 Cb 0.15 -2.45 0.01 0.00 2.01 0.00 0.00 34.83 34.55 3jx5 s MET 570 CO 0.20 -0.54 -0.22 -1.17 -0.01 0.00 0.00 175.02 173.28 3jx5 s LEU 571 N -4.75 2.09 -0.23 -0.03 0.20 -0.27 -4.37 118.68 111.33 3jx5 s LEU 571 Ca 0.53 -0.60 -0.14 0.00 0.69 0.00 0.00 54.13 54.61 3jx5 s LEU 571 Cb -0.10 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 3jx5 s LEU 571 CO 0.40 0.08 0.30 -0.22 -0.29 0.00 0.00 176.35 176.62 3jx5 s LEU 572 N 0.82 4.12 -0.20 -0.68 2.96 0.17 -0.92 118.68 124.95 3jx5 s LEU 572 Ca -0.07 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3jx5 s LEU 572 Cb -0.15 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 3jx5 s LEU 572 CO -0.02 -0.04 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.19 3jx5 s GLU 573 N 1.35 3.31 -0.09 1.98 2.12 -0.15 -0.53 118.70 126.68 3jx5 s GLU 573 Ca 0.14 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.80 3jx5 s GLU 573 Cb -0.14 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.39 3jx5 s GLU 573 CO 0.07 -0.14 -0.07 0.42 -0.54 0.00 0.00 175.26 175.00 3jx5 s ILE 574 N 1.28 0.89 -1.54 -3.70 1.01 -0.24 -2.14 121.20 116.76 3jx5 s ILE 574 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3jx5 s ILE 574 Cb -0.14 -0.91 0.08 0.00 0.01 0.00 0.00 42.46 41.50 3jx5 s ILE 574 CO -0.04 0.33 0.73 0.61 0.00 0.00 0.00 174.94 176.58 3jx5 n GLY 575 N 4.63 -0.38 3.31 6.18 0.00 -1.26 -0.22 105.19 117.45 3jx5 n GLY 575 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.66 1.34 3.83 -0.02 0.00 -1.26 -3.56 105.19 103.87 3jx5 n GLY 576 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 4.47 -0.18 0.99 1.43 0.70 -5.00 118.68 121.09 3jx5 s LEU 577 Ca 0.00 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3jx5 s LEU 577 Cb 0.00 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 3jx5 s LEU 577 CO 0.00 0.29 -0.11 -1.61 0.23 0.00 0.00 176.35 175.15 3jx5 s GLU 578 N -1.22 3.31 -0.45 1.70 2.02 -1.26 -1.08 118.70 121.72 3jx5 s GLU 578 Ca 0.27 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 3jx5 s GLU 578 Cb -0.17 -2.77 0.12 0.00 0.10 0.00 0.00 34.13 31.41 3jx5 s GLU 578 CO 0.15 -0.03 0.25 -0.06 0.02 0.00 0.00 175.26 175.60 3jx5 s PHE 579 N 0.98 3.55 -0.59 1.61 0.40 0.31 0.19 117.98 124.43 3jx5 s PHE 579 Ca -0.01 -2.44 0.25 0.00 -0.60 0.00 0.00 56.93 54.12 3jx5 s PHE 579 Cb -0.15 -3.24 0.54 0.00 0.51 0.00 0.00 43.02 40.68 3jx5 s PHE 579 CO -0.01 -0.95 1.62 0.66 0.70 0.00 0.00 175.22 177.24 3jx5 h SER 580 N 7.89 0.00 -3.27 1.36 4.64 -1.82 0.51 113.55 122.86 3jx5 h SER 580 Ca -0.11 -0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.52 3jx5 h SER 580 Cb 1.03 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.77 3jx5 h SER 580 CO 0.71 0.01 -0.84 0.00 -0.87 0.00 0.00 176.83 175.84 3jx5 s ALA 581 N -3.16 2.35 -0.45 5.18 0.00 -1.12 -4.66 121.76 119.90 3jx5 s ALA 581 Ca 0.08 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.77 3jx5 s ALA 581 Cb 0.10 -1.28 0.33 0.00 0.00 0.00 0.00 23.12 22.27 3jx5 s ALA 581 CO 0.65 -0.58 1.17 0.00 0.00 0.00 0.00 175.76 177.00 3jx5 s PRO 583 N 0.25 4.17 0.13 0.00 0.04 -1.18 -4.64 135.00 133.78 3jx5 s PRO 583 Ca 0.22 2.48 0.04 0.00 0.04 0.00 0.00 61.00 63.78 3jx5 s PRO 583 Cb 0.31 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3jx5 s PRO 583 CO -0.06 -0.49 -0.09 -0.59 0.04 0.00 0.00 177.00 175.81 3jx5 s PHE 584 N -0.71 1.13 -0.02 0.56 -0.12 -0.28 -1.39 117.98 117.14 3jx5 s PHE 584 Ca 0.55 -0.80 -0.16 0.00 -0.05 0.00 0.00 56.93 56.47 3jx5 s PHE 584 Cb -0.45 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.37 3jx5 s PHE 584 CO 0.55 0.00 0.35 -1.54 -0.05 0.00 0.00 175.22 174.54 3jx5 s SER 585 N -3.06 -0.25 0.00 1.98 1.04 -0.72 0.37 113.70 113.07 3jx5 s SER 585 Ca 0.14 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3jx5 s SER 585 Cb 0.03 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3jx5 s SER 585 CO -0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3jx5 n GLY 586 N 1.29 3.66 3.43 7.32 0.00 -1.08 -2.69 105.19 117.12 3jx5 n GLY 586 Ca -0.21 -0.48 -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 2.47 0.12 0.28 1.61 -2.14 -1.26 -4.54 118.94 115.47 3jx5 s TRP 587 Ca 0.00 -0.47 -0.22 0.00 2.66 0.00 0.00 56.10 58.06 3jx5 s TRP 587 Cb 0.00 0.18 -0.09 0.00 -3.10 0.00 0.00 33.47 30.46 3jx5 s TRP 587 CO 0.00 -0.81 0.83 0.71 -2.66 0.00 0.00 176.95 175.02 3jx5 s TYR 588 N -3.91 3.65 0.10 1.66 4.12 -1.26 -4.91 117.35 116.79 3jx5 s TYR 588 Ca 0.12 1.57 -0.22 0.00 0.02 0.00 0.00 57.07 58.56 3jx5 s TYR 588 Cb 0.01 -2.76 -0.07 0.00 -1.52 0.00 0.00 41.96 37.62 3jx5 s TYR 588 CO -0.02 0.26 0.66 1.41 0.02 0.00 0.00 175.55 177.88 3jx5 s MET 589 N -2.07 4.37 0.27 -0.62 -2.45 -1.26 -0.84 119.30 116.70 3jx5 s MET 589 Ca 0.47 0.91 0.01 0.00 -1.25 0.00 0.00 55.69 55.83 3jx5 s MET 589 Cb -0.17 -3.27 0.57 0.00 1.25 0.00 0.00 34.83 33.21 3jx5 s MET 589 CO 0.22 0.57 1.78 0.78 1.05 0.00 0.00 175.02 179.42 3jx5 h GLY 590 N 4.64 1.51 2.00 2.11 0.00 -0.61 -2.53 103.07 110.19 3jx5 h GLY 590 Ca -0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3jx5 h GLY 590 CO 0.65 0.01 -0.09 -0.91 0.00 0.00 0.00 176.54 176.20 3jx5 h THR 591 N 0.74 0.61 -0.72 4.70 1.35 -1.93 -2.05 112.91 115.60 3jx5 h THR 591 Ca 0.49 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 66.04 3jx5 h THR 591 Cb 0.65 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 68.25 3jx5 h THR 591 CO -0.34 0.09 0.41 -0.33 -0.25 0.00 0.00 175.52 175.10 3jx5 h GLU 592 N 0.00 0.72 0.00 4.72 5.08 -1.86 -0.84 114.58 122.40 3jx5 h GLU 592 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3jx5 h GLU 592 Cb 0.23 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3jx5 h GLU 592 CO 0.01 0.48 -0.23 0.82 -1.00 0.00 0.00 179.01 179.09 3jx5 h ILE 593 N 0.74 0.73 -0.38 3.13 2.04 -1.66 -2.40 117.51 119.72 3jx5 h ILE 593 Ca 0.32 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 3jx5 h ILE 593 Cb 0.21 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3jx5 h ILE 593 CO -0.19 0.25 0.08 1.23 0.00 0.00 0.00 178.15 179.52 3jx5 h GLY 594 N -1.00 0.66 0.00 5.37 0.00 -1.41 -1.97 103.07 104.72 3jx5 h GLY 594 Ca -0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3jx5 h GLY 594 CO -0.03 0.39 -0.35 -2.08 0.00 0.00 0.00 176.54 174.47 3jx5 h VAL 595 N 0.47 0.87 0.00 4.60 2.07 -1.39 -3.31 116.25 119.56 3jx5 h VAL 595 Ca 0.12 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.81 3jx5 h VAL 595 Cb 0.32 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3jx5 h VAL 595 CO 0.00 0.30 -0.40 0.03 0.02 0.00 0.00 177.57 177.52 3jx5 h ARG 596 N -1.00 0.00 -0.45 1.57 2.47 -1.48 -2.78 114.38 112.71 3jx5 h ARG 596 Ca -0.08 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 3jx5 h ARG 596 Cb 0.74 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3jx5 h ARG 596 CO -0.05 0.68 -0.13 -0.91 0.56 0.00 0.00 179.97 180.12 3jx5 h ASN 597 N -1.00 0.84 0.21 7.04 2.35 -1.24 -2.61 115.58 121.17 3jx5 h ASN 597 Ca -0.09 -0.27 -0.35 0.00 -0.55 0.00 0.00 56.30 55.05 3jx5 h ASN 597 Cb 0.82 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 3jx5 h ASN 597 CO -0.06 0.98 -2.00 -1.22 -1.65 0.00 0.00 177.43 173.48 3jx5 n TYR 598 N -4.15 0.94 -0.02 1.19 0.53 -0.76 -1.86 117.16 113.03 3jx5 n TYR 598 Ca 0.01 0.24 0.06 0.00 -1.02 0.00 0.00 57.90 57.19 3jx5 n TYR 598 Cb 0.39 -1.14 -0.13 0.00 -1.03 0.00 0.00 39.34 37.42 3jx5 n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3jx5 n ASP 600 N -2.19 2.33 -0.36 0.00 9.92 -0.98 -4.55 116.55 120.71 3jx5 n ASP 600 Ca -0.08 1.09 0.31 0.00 -0.53 0.00 0.00 54.79 55.59 3jx5 n ASP 600 Cb 0.56 -1.27 0.64 0.00 -0.64 0.00 0.00 41.12 40.41 3jx5 n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jx5 h ASN 601 N 5.67 0.21 -0.28 -2.24 -0.00 -1.92 0.50 115.58 117.53 3jx5 h ASN 601 Ca -0.47 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 3jx5 h ASN 601 Cb 1.30 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.65 3jx5 h ASN 601 CO 0.85 0.01 0.00 -1.54 -0.00 0.00 0.00 177.43 176.74 3jx5 n SER 602 N -4.42 2.00 0.00 1.15 3.41 -1.26 -4.73 113.62 109.76 3jx5 n SER 602 Ca 0.28 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3jx5 n SER 602 Cb 1.17 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 3jx5 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx5 n ARG 603 N 0.56 0.28 0.24 4.33 5.12 0.15 -4.12 116.66 123.22 3jx5 n ARG 603 Ca 0.15 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 3jx5 n ARG 603 Cb 0.36 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 32.13 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 -6.37 -1.55 -1.99 -1.51 -3.41 116.97 102.14 3jx5 h TYR 604 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 3jx5 h TYR 604 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 3jx5 h TYR 604 CO 0.00 0.09 -0.92 -1.71 -0.00 0.00 0.00 178.16 175.62 3jx5 n ASN 605 N -3.18 -2.95 -1.00 3.88 4.05 0.14 -4.88 115.26 111.31 3jx5 n ASN 605 Ca 0.01 -1.02 0.11 0.00 0.45 0.00 0.00 54.58 54.13 3jx5 n ASN 605 Cb 0.41 -3.19 0.17 0.00 1.23 0.00 0.00 39.78 38.40 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 -4.33 0.42 -0.12 -1.44 -5.35 -0.12 -4.48 119.36 103.94 3jx5 n ILE 606 Ca -0.20 -0.71 -0.06 0.00 -0.27 0.00 0.00 62.75 61.51 3jx5 n ILE 606 Cb 0.63 1.04 0.02 0.00 -1.74 0.00 0.00 39.64 39.59 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 4.01 0.28 -0.46 7.28 3.38 -1.87 -1.69 115.31 126.24 3jx5 h LEU 607 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3jx5 h LEU 607 Cb 0.90 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 3jx5 h LEU 607 CO 0.00 0.20 -0.03 -0.33 0.09 0.00 0.00 178.44 178.38 3jx5 h GLU 608 N 0.40 0.08 -0.59 1.13 5.08 -1.98 -1.38 114.58 117.32 3jx5 h GLU 608 Ca 0.17 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3jx5 h GLU 608 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3jx5 h GLU 608 CO -0.12 0.05 -0.02 0.93 -1.00 0.00 0.00 179.01 178.85 3jx5 h GLU 609 N 0.09 1.06 -0.16 2.33 5.08 -1.72 -2.89 114.58 118.36 3jx5 h GLU 609 Ca 0.23 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3jx5 h GLU 609 Cb 0.35 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3jx5 h GLU 609 CO -0.41 1.04 -0.07 0.28 -1.00 0.00 0.00 179.01 178.85 3jx5 h VAL 610 N 0.96 1.31 -0.78 3.13 2.07 -0.97 -2.79 116.25 119.18 3jx5 h VAL 610 Ca 0.17 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.64 3jx5 h VAL 610 Cb 0.58 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 3jx5 h VAL 610 CO 0.03 0.33 0.51 0.00 0.02 0.00 0.00 177.57 178.47 3jx5 h ALA 611 N 0.68 1.66 -0.81 1.67 0.00 -1.26 0.49 119.26 121.69 3jx5 h ALA 611 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3jx5 h ALA 611 Cb 0.55 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3jx5 h ALA 611 CO 0.02 0.21 0.46 0.87 0.00 0.00 0.00 179.25 180.82 3jx5 h LYS 612 N 0.82 1.12 -0.07 0.00 1.57 -1.35 -2.56 116.57 116.11 3jx5 h LYS 612 Ca 0.34 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3jx5 h LYS 612 Cb 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3jx5 h LYS 612 CO -0.12 0.80 -0.50 0.87 -0.57 0.00 0.00 179.45 179.93 3jx5 h LYS 613 N 1.13 0.18 0.00 3.15 1.79 -0.66 -2.84 116.57 119.31 3jx5 h LYS 613 Ca 0.29 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3jx5 h LYS 613 Cb -0.01 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3jx5 h LYS 613 CO -0.05 0.64 0.00 -1.33 -1.08 0.00 0.00 179.45 177.63 3jx5 n MET 614 N -3.95 0.15 -3.52 3.15 2.81 -0.75 -4.95 117.12 110.06 3jx5 n MET 614 Ca -0.02 0.19 -0.21 0.00 -1.81 0.00 0.00 57.70 55.84 3jx5 n MET 614 Cb 0.53 -1.70 0.08 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.97 -5.20 -4.88 7.83 2.03 -1.00 -5.03 116.55 108.34 3jx5 n ASP 615 Ca 0.05 -0.54 -0.30 0.00 0.52 0.00 0.00 54.79 54.52 3jx5 n ASP 615 Cb 0.35 -4.91 0.03 0.00 -0.72 0.00 0.00 41.12 35.87 3jx5 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx5 s LEU 616 N -6.88 3.08 -0.53 -2.67 1.43 -1.15 -5.01 118.68 106.96 3jx5 s LEU 616 Ca 0.43 1.18 -0.25 0.00 -1.03 0.00 0.00 54.13 54.46 3jx5 s LEU 616 Cb -0.19 -4.08 0.03 0.00 0.03 0.00 0.00 46.19 41.99 3jx5 s LEU 616 CO 0.70 -1.12 0.98 -0.62 0.23 0.00 0.00 176.35 176.53 3jx5 s ASP 617 N -4.28 6.41 -0.12 2.29 3.68 -1.26 -4.88 116.67 118.51 3jx5 s ASP 617 Ca 0.56 -0.12 0.18 0.00 2.13 0.00 0.00 52.55 55.30 3jx5 s ASP 617 Cb -0.11 -2.46 0.72 0.00 -1.45 0.00 0.00 42.92 39.62 3jx5 s ASP 617 CO 0.52 -1.21 1.63 0.23 0.13 0.00 0.00 175.17 176.46 3jx5 n MET 618 N 7.53 3.80 -0.08 4.34 2.81 -1.26 -4.32 117.12 129.93 3jx5 n MET 618 Ca 0.04 -2.84 -0.07 0.00 -1.81 0.00 0.00 57.70 53.02 3jx5 n MET 618 Cb 0.48 -1.92 0.11 0.00 -0.71 0.00 0.00 33.22 31.17 3jx5 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx5 h ARG 619 N 4.03 0.76 -3.91 0.03 3.08 -2.04 -3.45 114.38 112.88 3jx5 h ARG 619 Ca 0.00 -0.29 -0.20 0.00 0.07 0.00 0.00 59.98 59.56 3jx5 h ARG 619 Cb 1.48 -0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.25 3jx5 h ARG 619 CO 0.25 0.89 -0.71 -1.59 -1.07 0.00 0.00 179.97 177.75 3jx5 s LYS 620 N -4.66 0.21 0.55 0.04 -2.85 -1.26 -5.03 119.74 106.74 3jx5 s LYS 620 Ca -0.09 -0.39 0.33 0.00 -1.00 0.00 0.00 55.97 54.82 3jx5 s LYS 620 Cb 0.13 0.05 1.56 0.00 -2.06 0.00 0.00 37.83 37.51 3jx5 s LYS 620 CO 0.83 -0.03 2.08 1.79 0.10 0.00 0.00 175.35 180.12 3jx5 h THR 621 N 4.83 0.27 0.00 3.79 1.35 -1.91 -3.06 112.91 118.17 3jx5 h THR 621 Ca -0.29 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3jx5 h THR 621 Cb 1.21 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3jx5 h THR 621 CO 0.45 0.07 0.00 -1.54 -0.25 0.00 0.00 175.52 174.25 3jx5 n SER 622 N -3.32 0.26 0.00 5.36 3.41 -1.26 -1.49 113.62 116.58 3jx5 n SER 622 Ca -0.01 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.22 3jx5 n SER 622 Cb 0.25 -0.61 0.35 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.77 0.00 -3.58 4.04 3.41 -1.16 -4.92 113.62 109.65 3jx5 n SER 623 Ca 0.05 0.27 -0.27 0.00 -0.26 0.00 0.00 58.87 58.66 3jx5 n SER 623 Cb 0.27 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.39 -2.35 -0.05 1.04 4.77 -0.56 -4.89 117.00 113.57 3jx5 n LEU 624 Ca 0.05 -0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 55.42 3jx5 n LEU 624 Cb 0.14 -2.55 0.17 0.00 -2.33 0.00 0.00 43.42 38.85 3jx5 n LEU 624 CO 0.12 0.35 0.79 4.11 -1.33 0.00 0.00 177.39 181.43 3jx5 h TRP 625 N -1.69 0.73 -0.80 -1.77 5.08 -1.83 -0.94 115.95 114.72 3jx5 h TRP 625 Ca -0.53 -0.13 -0.02 0.00 1.08 0.00 0.00 58.89 59.28 3jx5 h TRP 625 Cb 1.35 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 27.29 3jx5 h TRP 625 CO 0.59 0.77 0.41 0.87 -1.28 0.00 0.00 178.44 179.80 3jx5 h LYS 626 N 0.60 1.14 -0.27 0.12 1.57 -1.90 -0.87 116.57 116.96 3jx5 h LYS 626 Ca 0.10 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3jx5 h LYS 626 Cb 0.59 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3jx5 h LYS 626 CO 0.04 0.86 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.95 3jx5 h ASP 627 N 1.12 0.68 0.00 0.86 5.19 -1.82 0.65 116.42 123.11 3jx5 h ASP 627 Ca 0.28 -0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3jx5 h ASP 627 Cb 0.08 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.40 3jx5 h ASP 627 CO -0.04 0.99 -0.00 1.56 -3.12 0.00 0.00 179.24 178.63 3jx5 h GLN 628 N 0.53 -0.00 -0.95 3.56 4.20 -0.89 -2.52 115.11 119.03 3jx5 h GLN 628 Ca 0.05 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.83 3jx5 h GLN 628 Cb 0.91 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.63 3jx5 h GLN 628 CO 0.08 0.40 0.62 0.00 -0.67 0.00 0.00 178.83 179.26 3jx5 h ALA 629 N 0.58 1.47 -0.60 3.87 0.00 -1.15 -2.79 119.26 120.65 3jx5 h ALA 629 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3jx5 h ALA 629 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jx5 h ALA 629 CO 0.00 0.38 0.12 1.25 0.00 0.00 0.00 179.25 181.00 3jx5 h LEU 630 N 1.08 0.94 -0.24 0.00 5.85 -0.70 -1.03 115.31 121.21 3jx5 h LEU 630 Ca 0.41 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3jx5 h LEU 630 Cb 0.21 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3jx5 h LEU 630 CO -0.16 0.94 0.15 0.58 -0.34 0.00 0.00 178.44 179.61 3jx5 h VAL 631 N 0.89 1.09 -0.08 1.05 2.07 -1.29 -2.13 116.25 117.85 3jx5 h VAL 631 Ca 0.18 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3jx5 h VAL 631 Cb 0.39 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3jx5 h VAL 631 CO 0.01 0.09 0.04 -0.33 0.02 0.00 0.00 177.57 177.39 3jx5 h GLU 632 N 0.30 0.11 -0.72 1.57 4.39 -1.21 0.21 114.58 119.23 3jx5 h GLU 632 Ca 0.09 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.93 3jx5 h GLU 632 Cb 0.01 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.51 3jx5 h GLU 632 CO -0.02 0.18 -0.07 0.82 -1.16 0.00 0.00 179.01 178.76 3jx5 h ILE 633 N 0.01 0.33 0.00 3.13 2.04 -1.15 0.22 117.51 122.09 3jx5 h ILE 633 Ca 0.03 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3jx5 h ILE 633 Cb 0.11 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3jx5 h ILE 633 CO -0.00 0.01 -0.38 0.78 0.00 0.00 0.00 178.15 178.56 3jx5 h ASN 634 N 0.06 0.00 -0.43 1.72 2.35 -0.75 -1.60 115.58 116.93 3jx5 h ASN 634 Ca 0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 3jx5 h ASN 634 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3jx5 h ASN 634 CO -0.68 0.38 -0.28 0.40 -1.65 0.00 0.00 177.43 175.60 3jx5 h ILE 635 N 0.00 1.27 -0.61 2.81 2.04 0.10 -2.94 117.51 120.19 3jx5 h ILE 635 Ca -0.00 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 3jx5 h ILE 635 Cb 0.96 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3jx5 h ILE 635 CO 0.05 0.49 0.07 0.00 0.00 0.00 0.00 178.15 178.76 3jx5 h ALA 636 N 0.86 0.81 0.08 1.87 0.00 0.08 -1.87 119.26 121.09 3jx5 h ALA 636 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jx5 h ALA 636 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3jx5 h ALA 636 CO 0.08 0.59 -0.07 0.28 0.00 0.00 0.00 179.25 180.13 3jx5 h VAL 637 N 0.93 0.83 -0.37 0.00 2.07 -1.36 -0.88 116.25 117.46 3jx5 h VAL 637 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 3jx5 h VAL 637 Cb 0.47 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3jx5 h VAL 637 CO 0.02 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 3jx5 h LEU 638 N -0.17 0.55 -0.06 2.57 3.38 -1.43 -2.52 115.31 117.63 3jx5 h LEU 638 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3jx5 h LEU 638 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3jx5 h LEU 638 CO -0.02 0.62 -0.04 0.22 0.09 0.00 0.00 178.44 179.31 3jx5 h TYR 639 N 0.56 0.15 0.06 1.13 3.20 -1.09 -2.32 116.97 118.65 3jx5 h TYR 639 Ca 0.12 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3jx5 h TYR 639 Cb 0.35 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3jx5 h TYR 639 CO 0.01 0.54 -0.20 0.77 -1.64 0.00 0.00 178.16 177.64 3jx5 h SER 640 N -0.29 -0.58 -0.19 -2.11 0.02 -1.08 0.64 113.55 109.96 3jx5 h SER 640 Ca 0.01 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3jx5 h SER 640 Cb 0.51 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3jx5 h SER 640 CO 0.01 -0.28 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.15 3jx5 h PHE 641 N -0.36 -0.03 -0.40 3.45 -1.00 -1.49 -1.89 116.94 115.23 3jx5 h PHE 641 Ca 0.04 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3jx5 h PHE 641 Cb 0.40 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3jx5 h PHE 641 CO -0.22 -0.04 0.26 1.96 -1.61 0.00 0.00 178.31 178.66 3jx5 h GLN 642 N 0.05 0.51 0.00 1.51 4.20 -1.25 -0.41 115.11 119.72 3jx5 h GLN 642 Ca 0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3jx5 h GLN 642 Cb 0.12 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3jx5 h GLN 642 CO -0.16 0.34 -0.07 0.77 -0.67 0.00 0.00 178.83 179.04 3jx5 h SER 643 N 0.53 0.00 -0.29 1.46 0.02 -0.58 0.82 113.55 115.51 3jx5 h SER 643 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3jx5 h SER 643 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3jx5 h SER 643 CO -0.04 0.07 0.00 0.47 -1.14 0.00 0.00 176.83 176.18 3jx5 n ASP 644 N -3.72 3.32 -3.65 3.07 8.00 -0.74 -4.99 116.55 117.84 3jx5 n ASP 644 Ca -0.02 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.25 3jx5 n ASP 644 Cb 0.17 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3jx5 n ASP 644 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3jx5 n LYS 645 N 1.44 -6.51 -4.38 -1.24 3.00 0.28 -5.00 118.16 105.74 3jx5 n LYS 645 Ca 0.18 0.74 -0.34 0.00 -0.00 0.00 0.00 58.31 58.89 3jx5 n LYS 645 Cb 0.60 -5.66 -0.13 0.00 0.00 0.00 0.00 35.03 29.85 3jx5 n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3jx5 s VAL 646 N -3.39 3.74 0.18 3.15 1.01 -0.28 -4.37 120.40 120.43 3jx5 s VAL 646 Ca 0.35 -0.41 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 3jx5 s VAL 646 Cb -0.16 -2.64 -0.14 0.00 0.00 0.00 0.00 36.38 33.43 3jx5 s VAL 646 CO 0.77 0.48 1.44 0.41 0.00 0.00 0.00 175.10 178.20 3jx5 n THR 647 N 3.72 0.46 -3.61 3.92 -1.04 -0.39 -4.30 114.28 113.03 3jx5 n THR 647 Ca -0.17 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.05 61.56 3jx5 n THR 647 Cb 0.52 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.36 0.02 0.00 12.58 2.07 -1.26 -4.37 121.20 130.59 3jx5 s ILE 648 Ca 0.75 -0.12 0.08 0.00 -1.41 0.00 0.00 60.65 59.94 3jx5 s ILE 648 Cb -0.72 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 3jx5 s ILE 648 CO 0.45 -0.07 -0.24 0.54 -1.91 0.00 0.00 174.94 173.71 3jx5 s VAL 649 N -0.97 1.93 0.51 4.00 0.11 -0.02 -4.97 120.40 120.99 3jx5 s VAL 649 Ca -0.10 -1.13 -0.10 0.00 -2.93 0.00 0.00 61.98 57.72 3jx5 s VAL 649 Cb -0.02 -1.62 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 3jx5 s VAL 649 CO 0.07 0.46 0.89 1.51 -3.33 0.00 0.00 175.10 174.70 3jx5 s ASP 650 N -0.78 6.36 0.51 3.54 -4.77 -1.26 0.16 116.67 120.42 3jx5 s ASP 650 Ca 0.10 1.22 0.21 0.00 -3.30 0.00 0.00 52.55 50.77 3jx5 s ASP 650 Cb -0.09 -2.37 1.35 0.00 -1.09 0.00 0.00 42.92 40.72 3jx5 s ASP 650 CO 0.00 -0.63 2.10 1.12 0.70 0.00 0.00 175.17 178.46 3jx5 h HIS 651 N 0.38 0.00 -0.24 2.11 2.07 -1.97 0.17 115.15 117.67 3jx5 h HIS 651 Ca -0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.00 3jx5 h HIS 651 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 3jx5 h HIS 651 CO 0.62 0.09 -0.08 0.45 -3.07 0.00 0.00 177.93 175.94 3jx5 h HIS 652 N 0.00 0.54 -0.06 6.12 3.86 -1.97 -2.27 115.15 121.37 3jx5 h HIS 652 Ca -0.00 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3jx5 h HIS 652 Cb 0.19 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3jx5 h HIS 652 CO 0.00 0.72 -0.00 1.03 0.86 0.00 0.00 177.93 180.54 3jx5 h SER 653 N 0.20 0.10 -0.50 2.45 0.87 -1.77 -2.02 113.55 112.89 3jx5 h SER 653 Ca 0.06 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 3jx5 h SER 653 Cb 0.56 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 3jx5 h SER 653 CO 0.03 0.39 0.21 0.00 -0.53 0.00 0.00 176.83 176.92 3jx5 h ALA 654 N 0.72 0.62 -0.22 6.23 0.00 -1.04 -1.92 119.26 123.65 3jx5 h ALA 654 Ca 0.02 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3jx5 h ALA 654 Cb 0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3jx5 h ALA 654 CO 0.00 -0.17 -0.60 1.79 0.00 0.00 0.00 179.25 180.27 3jx5 h THR 655 N 0.41 1.30 -0.64 0.00 1.35 -1.37 -1.72 112.91 112.24 3jx5 h THR 655 Ca 0.23 -1.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.29 3jx5 h THR 655 Cb 0.21 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3jx5 h THR 655 CO -0.21 0.58 0.40 -0.08 -0.25 0.00 0.00 175.52 175.96 3jx5 h GLU 656 N 0.55 0.78 -0.72 4.72 4.81 -1.26 -0.98 114.58 122.48 3jx5 h GLU 656 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3jx5 h GLU 656 Cb 1.19 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3jx5 h GLU 656 CO 0.12 0.52 0.38 0.77 -0.73 0.00 0.00 179.01 180.07 3jx5 h SER 657 N 0.80 0.92 -0.21 1.04 0.02 -1.20 -2.20 113.55 112.72 3jx5 h SER 657 Ca 0.25 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3jx5 h SER 657 Cb -0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3jx5 h SER 657 CO -0.08 0.77 -0.11 0.15 -1.14 0.00 0.00 176.83 176.41 3jx5 h PHE 658 N 1.00 0.63 -0.72 3.45 3.57 -0.98 0.16 116.94 124.05 3jx5 h PHE 658 Ca 0.25 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3jx5 h PHE 658 Cb 0.06 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3jx5 h PHE 658 CO 0.00 0.67 0.29 0.82 -2.23 0.00 0.00 178.31 177.87 3jx5 h ILE 659 N 0.54 1.25 -0.13 1.41 1.08 -0.81 0.41 117.51 121.26 3jx5 h ILE 659 Ca 0.10 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3jx5 h ILE 659 Cb 0.51 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3jx5 h ILE 659 CO 0.03 0.31 0.06 0.50 -0.69 0.00 0.00 178.15 178.36 3jx5 h LYS 660 N 1.03 0.18 -0.54 2.37 3.64 -1.05 -1.65 116.57 120.55 3jx5 h LYS 660 Ca 0.24 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 3jx5 h LYS 660 Cb 0.20 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3jx5 h LYS 660 CO -0.02 0.24 0.26 1.25 -2.27 0.00 0.00 179.45 178.91 3jx5 h HIS 661 N 0.08 0.48 0.09 1.91 2.76 -0.48 -0.73 115.15 119.25 3jx5 h HIS 661 Ca 0.04 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3jx5 h HIS 661 Cb 0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3jx5 h HIS 661 CO -0.03 0.22 -0.17 1.98 -1.30 0.00 0.00 177.93 178.63 3jx5 h MET 662 N 0.50 -0.31 0.00 5.26 4.05 0.11 -0.31 114.93 124.24 3jx5 h MET 662 Ca 0.24 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.66 3jx5 h MET 662 Cb 0.17 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3jx5 h MET 662 CO -0.18 -0.21 -0.09 0.93 0.23 0.00 0.00 176.91 177.59 3jx5 h GLU 663 N -0.32 0.00 -0.21 0.39 5.08 -1.16 -1.11 114.58 117.24 3jx5 h GLU 663 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3jx5 h GLU 663 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3jx5 h GLU 663 CO -0.10 0.09 -0.12 -0.91 -1.00 0.00 0.00 179.01 176.97 3jx5 h ASN 664 N 0.00 0.47 -0.13 1.42 2.35 -0.01 -2.98 115.58 116.70 3jx5 h ASN 664 Ca -0.00 -0.42 -0.10 0.00 -0.55 0.00 0.00 56.30 55.23 3jx5 h ASN 664 Cb 0.20 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3jx5 h ASN 664 CO 0.01 0.79 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.03 3jx5 h GLU 665 N 0.15 0.56 -0.56 0.81 4.39 -0.51 0.23 114.58 119.65 3jx5 h GLU 665 Ca 0.05 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3jx5 h GLU 665 Cb 0.62 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3jx5 h GLU 665 CO 0.03 0.74 0.02 1.88 -1.16 0.00 0.00 179.01 180.52 3jx5 h TYR 666 N 0.50 1.06 0.00 4.33 -1.99 -1.28 0.22 116.97 119.80 3jx5 h TYR 666 Ca 0.07 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.54 3jx5 h TYR 666 Cb 0.66 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 3jx5 h TYR 666 CO 0.02 0.95 -0.44 0.07 -0.00 0.00 0.00 178.16 178.77 3jx5 h ARG 667 N 0.86 0.00 -0.00 4.88 0.11 -1.36 -2.43 114.38 116.44 3jx5 h ARG 667 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3jx5 h ARG 667 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3jx5 h ARG 667 CO 0.03 0.44 -0.53 0.00 0.10 0.00 0.00 179.97 180.01 3jx5 n ARG 669 N -1.06 1.73 -0.79 0.00 0.63 0.66 -5.01 116.66 112.82 3jx5 n ARG 669 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3jx5 n ARG 669 Cb 0.21 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 32.98 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 0.00 0.53 0.00 5.14 0.00 -0.61 -4.56 105.19 105.69 3jx5 n GLY 670 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.79 0.86 3.10 -0.02 0.00 -0.99 -0.12 105.19 105.23 3jx5 n GLY 671 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 2.79 4.24 -0.17 0.00 0.04 -1.26 -4.62 135.00 136.02 3jx5 s PRO 673 Ca 0.17 2.30 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 3jx5 s PRO 673 Cb -0.14 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.29 3jx5 s PRO 673 CO -0.21 -0.54 0.43 0.00 0.04 0.00 0.00 177.00 176.72 3jx5 s ALA 674 N 0.87 -1.07 -0.50 8.56 0.00 0.11 -4.31 121.76 125.42 3jx5 s ALA 674 Ca 0.67 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.87 3jx5 s ALA 674 Cb -0.42 -0.79 0.13 0.00 0.00 0.00 0.00 23.12 22.03 3jx5 s ALA 674 CO 0.34 -0.23 0.39 0.34 0.00 0.00 0.00 175.76 176.60 3jx5 s ASP 675 N 0.64 5.80 0.29 0.00 3.68 0.47 -3.56 116.67 123.99 3jx5 s ASP 675 Ca -0.03 -1.96 -0.01 0.00 2.13 0.00 0.00 52.55 52.68 3jx5 s ASP 675 Cb -0.05 -2.04 0.48 0.00 -1.45 0.00 0.00 42.92 39.86 3jx5 s ASP 675 CO -0.04 -0.70 1.90 -0.25 0.13 0.00 0.00 175.17 176.21 3jx5 h TRP 676 N 8.44 1.11 -0.47 -5.34 7.01 -1.92 0.30 115.95 125.08 3jx5 h TRP 676 Ca -0.21 0.03 0.11 0.00 2.11 0.00 0.00 58.89 60.94 3jx5 h TRP 676 Cb 1.07 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 3jx5 h TRP 676 CO 0.67 0.58 0.33 0.28 -2.79 0.00 0.00 178.44 177.51 3jx5 h VAL 677 N 1.09 0.83 0.01 2.65 2.07 -1.92 -1.96 116.25 119.02 3jx5 h VAL 677 Ca 0.40 -0.05 -0.36 0.00 0.82 0.00 0.00 66.70 67.52 3jx5 h VAL 677 Cb 0.17 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3jx5 h VAL 677 CO -0.15 0.02 -2.22 0.79 0.02 0.00 0.00 177.57 176.03 3jx5 n TRP 678 N -4.44 0.35 -0.11 1.57 7.02 -0.02 -4.50 117.44 117.31 3jx5 n TRP 678 Ca 0.08 0.11 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 3jx5 n TRP 678 Cb 0.45 -1.06 -0.03 0.00 -2.42 0.00 0.00 31.31 28.25 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 0.01 1.29 -2.57 -0.99 1.08 -0.98 -3.43 117.51 111.92 3jx5 h ILE 679 Ca -0.49 -1.32 -0.54 0.00 -0.39 0.00 0.00 64.86 62.12 3jx5 h ILE 679 Cb 2.10 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 37.29 3jx5 h ILE 679 CO 0.02 0.43 1.11 -0.69 -0.69 0.00 0.00 178.15 178.33 3jx5 s VAL 680 N -4.55 3.43 0.74 1.67 1.01 -0.76 -4.95 120.40 117.00 3jx5 s VAL 680 Ca -0.12 0.56 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 3jx5 s VAL 680 Cb 0.09 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 33.15 3jx5 s VAL 680 CO 0.82 -0.05 1.15 -2.84 0.00 0.00 0.00 175.10 174.19 3jx5 s PRO 681 N 3.99 2.19 0.00 2.72 0.02 -1.26 -4.92 135.00 137.74 3jx5 s PRO 681 Ca 0.76 1.54 0.16 0.00 0.02 0.00 0.00 61.00 63.48 3jx5 s PRO 681 Cb -0.36 -1.86 0.90 0.00 0.02 0.00 0.00 34.50 33.20 3jx5 s PRO 681 CO 0.32 -1.75 1.58 -0.35 -0.33 0.00 0.00 177.00 176.47 3jx5 n PRO 682 N -2.95 1.06 -4.11 5.54 -0.04 -1.26 -4.33 135.00 128.91 3jx5 n PRO 682 Ca 0.12 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 3jx5 n PRO 682 Cb 0.51 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.98 0.65 -1.44 0.54 0.23 -1.26 -4.93 119.30 111.11 3jx5 s MET 683 Ca 0.24 -1.02 -0.05 0.00 -1.03 0.00 0.00 55.69 53.82 3jx5 s MET 683 Cb 0.11 -0.21 0.03 0.00 -1.53 0.00 0.00 34.83 33.22 3jx5 s MET 683 CO 0.18 0.01 0.46 0.43 -2.03 0.00 0.00 175.02 174.08 3jx5 n SER 684 N 0.76 -5.13 -0.14 -1.18 7.64 -1.26 -4.86 113.62 109.44 3jx5 n SER 684 Ca -0.18 -0.25 -0.08 0.00 1.01 0.00 0.00 58.87 59.37 3jx5 n SER 684 Cb 0.58 -4.20 -0.02 0.00 -1.01 0.00 0.00 64.21 59.56 3jx5 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jx5 h GLY 685 N -1.01 -0.32 2.00 0.23 0.00 -1.92 -2.54 103.07 99.51 3jx5 h GLY 685 Ca -0.47 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3jx5 h GLY 685 CO 0.54 -0.20 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 3jx5 n SER 686 N -5.42 0.48 -0.77 0.19 3.41 -1.26 -1.78 113.62 108.47 3jx5 n SER 686 Ca 0.01 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.31 3jx5 n SER 686 Cb 0.35 -0.71 0.27 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.00 0.42 -4.09 -1.33 -5.35 -0.96 -4.82 119.36 101.23 3jx5 n ILE 687 Ca 0.03 -0.52 -0.33 0.00 -0.27 0.00 0.00 62.75 61.67 3jx5 n ILE 687 Cb 0.26 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 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 -1.58 4.71 0.38 7.28 -4.23 -0.73 -5.02 115.64 116.46 3jx5 s THR 688 Ca 0.32 -0.46 0.39 0.00 -1.18 0.00 0.00 61.69 60.77 3jx5 s THR 688 Cb 0.18 -3.18 0.41 0.00 1.34 0.00 0.00 72.50 71.25 3jx5 s THR 688 CO 0.25 0.31 2.18 1.55 -0.54 0.00 0.00 174.62 178.37 3jx5 h PRO 689 N 3.96 0.00 0.00 3.99 0.13 -1.88 -2.90 132.00 135.30 3jx5 h PRO 689 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3jx5 h PRO 689 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3jx5 h PRO 689 CO 0.63 0.00 -0.29 -0.39 -0.23 0.00 0.00 178.00 177.72 3jx5 h VAL 690 N 0.00 0.76 -0.93 1.56 -1.51 -1.87 -2.81 116.25 111.45 3jx5 h VAL 690 Ca 0.00 -1.24 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 3jx5 h VAL 690 Cb 0.21 1.78 -0.05 0.00 -2.13 0.00 0.00 31.29 31.11 3jx5 h VAL 690 CO 0.00 0.29 0.61 0.15 -1.23 0.00 0.00 177.57 177.39 3jx5 h PHE 691 N 0.00 1.17 -0.23 5.19 3.57 -1.70 -2.37 116.94 122.57 3jx5 h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jx5 h PHE 691 Cb 0.76 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3jx5 h PHE 691 CO 0.00 0.74 0.00 0.72 -2.23 0.00 0.00 178.31 177.54 3jx5 n HIS 692 N -4.39 0.30 -3.66 0.41 8.25 -1.06 -4.81 115.22 110.26 3jx5 n HIS 692 Ca 0.11 -0.15 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 3jx5 n HIS 692 Cb 0.02 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.70 3.20 0.35 -0.41 2.00 -0.89 -0.29 119.66 121.91 3jx5 s GLN 693 Ca 0.28 -0.81 -0.28 0.00 -2.00 0.00 0.00 55.36 52.54 3jx5 s GLN 693 Cb 0.15 -3.57 -0.11 0.00 0.80 0.00 0.00 33.01 30.28 3jx5 s GLN 693 CO 0.21 -0.48 1.38 -1.21 -0.50 0.00 0.00 175.29 174.69 3jx5 s GLU 694 N 1.59 4.26 0.08 1.67 2.02 -0.57 -5.00 118.70 122.75 3jx5 s GLU 694 Ca 0.04 2.36 0.04 0.00 0.02 0.00 0.00 54.97 57.43 3jx5 s GLU 694 Cb -0.17 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 3jx5 s GLU 694 CO 0.06 -0.32 -0.12 -1.64 0.02 0.00 0.00 175.26 173.25 3jx5 s MET 695 N -1.90 0.80 -0.11 1.61 -1.94 -1.26 -4.58 119.30 111.92 3jx5 s MET 695 Ca 0.50 -1.01 -0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3jx5 s MET 695 Cb -0.42 -0.67 -0.03 0.00 2.01 0.00 0.00 34.83 35.72 3jx5 s MET 695 CO 0.57 0.13 -0.04 -0.51 -0.01 0.00 0.00 175.02 175.16 3jx5 s LEU 696 N -1.99 3.28 -0.17 -0.03 1.43 -1.26 -4.93 118.68 115.01 3jx5 s LEU 696 Ca 0.00 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3jx5 s LEU 696 Cb -0.07 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3jx5 s LEU 696 CO 0.01 0.28 -0.07 0.21 0.23 0.00 0.00 176.35 177.01 3jx5 s ASN 697 N -0.29 4.37 0.18 2.29 3.04 -1.23 -0.71 114.94 122.58 3jx5 s ASN 697 Ca 0.05 -0.28 -0.20 0.00 0.04 0.00 0.00 52.86 52.47 3jx5 s ASN 697 Cb -0.13 -1.71 0.04 0.00 -1.54 0.00 0.00 41.25 37.92 3jx5 s ASN 697 CO 0.02 0.11 0.55 -0.72 -3.04 0.00 0.00 177.10 174.02 3jx5 s TYR 698 N 0.71 -0.29 -0.30 0.43 -0.85 -1.26 -4.96 117.35 110.83 3jx5 s TYR 698 Ca -0.04 -0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.44 3jx5 s TYR 698 Cb -0.15 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.66 3jx5 s TYR 698 CO 0.02 -0.89 0.08 1.03 -1.52 0.00 0.00 175.55 174.27 3jx5 s ARG 699 N -3.82 3.08 0.26 -3.49 0.52 -1.26 -4.82 118.95 109.41 3jx5 s ARG 699 Ca 0.05 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 3jx5 s ARG 699 Cb -0.01 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3jx5 s ARG 699 CO -0.07 -0.45 0.08 -0.51 0.02 0.00 0.00 175.30 174.37 3jx5 s LEU 700 N 1.50 3.47 0.09 2.53 1.43 -1.26 -2.12 118.68 124.31 3jx5 s LEU 700 Ca 0.02 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3jx5 s LEU 700 Cb -0.17 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3jx5 s LEU 700 CO 0.02 -0.01 -0.23 0.28 0.23 0.00 0.00 176.35 176.64 3jx5 s THR 701 N -2.22 1.89 0.69 5.49 -1.32 -1.26 -4.30 115.64 114.62 3jx5 s THR 701 Ca 0.32 -1.49 -0.17 0.00 -1.21 0.00 0.00 61.69 59.15 3jx5 s THR 701 Cb -0.07 -1.68 -0.00 0.00 -1.51 0.00 0.00 72.50 69.24 3jx5 s THR 701 CO 0.22 0.10 1.03 -2.65 -2.21 0.00 0.00 174.62 171.12 3jx5 n PRO 702 N 1.33 0.66 -3.61 7.08 -0.02 -1.26 -5.02 135.00 134.16 3jx5 n PRO 702 Ca -0.18 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 3jx5 n PRO 702 Cb 0.53 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3jx5 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx5 s SER 703 N -1.55 -0.27 -0.06 2.55 1.04 -0.91 -3.89 113.70 110.61 3jx5 s SER 703 Ca 0.76 -0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 3jx5 s SER 703 Cb -0.36 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 3jx5 s SER 703 CO 0.48 -0.85 0.38 -0.36 0.98 0.00 0.00 173.24 173.87 3jx5 s PHE 704 N -3.69 3.64 0.14 5.02 0.40 -1.26 -0.98 117.98 121.24 3jx5 s PHE 704 Ca 0.02 0.87 0.06 0.00 -0.60 0.00 0.00 56.93 57.29 3jx5 s PHE 704 Cb 0.01 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3jx5 s PHE 704 CO -0.11 0.51 -0.14 -1.21 0.70 0.00 0.00 175.22 174.96 3jx5 s GLU 705 N -0.53 1.08 0.72 0.44 0.41 -0.10 -4.94 118.70 115.77 3jx5 s GLU 705 Ca 0.22 -1.31 -0.11 0.00 -0.41 0.00 0.00 54.97 53.36 3jx5 s GLU 705 Cb -0.15 -0.93 0.02 0.00 -1.78 0.00 0.00 34.13 31.29 3jx5 s GLU 705 CO 0.11 0.17 1.07 0.71 -0.49 0.00 0.00 175.26 176.83 3jx5 s TYR 706 N -2.34 3.11 0.03 1.61 1.51 -1.26 -1.11 117.35 118.89 3jx5 s TYR 706 Ca 0.12 1.27 -0.08 0.00 -1.01 0.00 0.00 57.07 57.36 3jx5 s TYR 706 Cb -0.04 -2.96 -0.00 0.00 -0.11 0.00 0.00 41.96 38.85 3jx5 s TYR 706 CO 0.03 -1.34 0.16 1.14 -1.11 0.00 0.00 175.55 174.43 3jx5 s GLN 707 N -5.14 0.61 0.57 -0.62 -2.07 -1.26 -4.79 119.66 106.96 3jx5 s GLN 707 Ca 0.59 -0.59 -0.20 0.00 -1.82 0.00 0.00 55.36 53.33 3jx5 s GLN 707 Cb -0.13 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 3jx5 s GLN 707 CO 0.54 -0.16 1.29 -1.25 -1.32 0.00 0.00 175.29 174.39 3jx5 s PRO 708 N -2.25 3.04 0.23 9.60 0.04 -1.26 -4.91 135.00 139.50 3jx5 s PRO 708 Ca -0.08 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 3jx5 s PRO 708 Cb -0.03 -2.11 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 3jx5 s PRO 708 CO -0.02 -1.21 1.40 -0.25 0.04 0.00 0.00 177.00 176.96 3jx5 n ASP 709 N -1.28 2.69 0.23 6.66 8.00 -1.26 -4.88 116.55 126.70 3jx5 n ASP 709 Ca 0.12 1.14 0.11 0.00 0.71 0.00 0.00 54.79 56.87 3jx5 n ASP 709 Cb 0.47 -1.42 0.69 0.00 -0.02 0.00 0.00 41.12 40.84 3jx5 n ASP 709 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jx5 h PRO 710 N 4.24 0.00 0.00 -0.24 0.11 -1.91 -2.26 132.00 131.94 3jx5 h PRO 710 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3jx5 h PRO 710 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3jx5 h PRO 710 CO 0.76 0.00 -0.14 0.11 -0.21 0.00 0.00 178.00 178.52 3jx5 h TRP 711 N 0.00 0.00 0.00 0.65 0.09 -1.90 0.45 115.95 115.24 3jx5 h TRP 711 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 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 0.14 0.00 0.09 0.09 0.00 0.00 178.44 178.76 3jx5 n ASN 712 N -3.19 0.00 0.01 0.11 3.02 -0.85 -4.65 115.26 109.71 3jx5 n ASN 712 Ca 0.02 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3jx5 n ASN 712 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3jx5 n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3jx5 n THR 713 N -0.98 0.00 -1.56 3.41 -1.04 -0.67 -5.07 114.28 108.37 3jx5 n THR 713 Ca 0.21 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.71 3jx5 n THR 713 Cb 0.10 -0.09 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3jx5 n THR 713 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3jx5 n HIS 714 N -2.56 1.22 -3.65 -1.42 -0.00 0.15 -4.96 115.22 103.99 3jx5 n HIS 714 Ca 0.00 0.73 -0.34 0.00 -0.00 0.00 0.00 57.72 58.11 3jx5 n HIS 714 Cb 0.00 -2.26 -0.05 0.00 -0.00 0.00 0.00 29.99 27.68 3jx5 n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jx5 s VAL 715 N 0.06 5.17 -2.26 3.57 -7.23 -1.26 -4.89 120.40 113.56 3jx5 s VAL 715 Ca 0.79 0.26 0.30 0.00 -1.81 0.00 0.00 61.98 61.53 3jx5 s VAL 715 Cb -0.95 -3.62 0.72 0.00 0.56 0.00 0.00 36.38 33.09 3jx5 s VAL 715 CO 0.51 0.25 1.98 0.79 -0.31 0.00 0.00 175.10 178.32