#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx6 s PHE 300 N 0.00 3.58 -0.03 -0.14 0.40 -1.26 -4.84 117.98 115.69 3jx6 s PHE 300 Ca 0.00 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 3jx6 s PHE 300 Cb 0.00 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.55 3jx6 s PHE 300 CO 0.00 0.67 -0.09 -0.51 0.70 0.00 0.00 175.22 175.99 3jx6 s LEU 301 N -0.82 1.74 -0.15 -0.37 1.43 -1.10 -4.98 118.68 114.43 3jx6 s LEU 301 Ca 0.14 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3jx6 s LEU 301 Cb -0.12 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 3jx6 s LEU 301 CO 0.04 0.05 0.23 -0.54 0.23 0.00 0.00 176.35 176.36 3jx6 s LYS 302 N 0.28 4.09 -0.19 1.70 1.02 -1.26 -0.08 119.74 125.31 3jx6 s LYS 302 Ca -0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 3jx6 s LYS 302 Cb -0.09 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 3jx6 s LYS 302 CO 0.01 0.37 0.04 0.14 -0.92 0.00 0.00 175.35 174.99 3jx6 s VAL 303 N 0.09 4.47 -0.08 3.17 -7.23 0.23 -4.97 120.40 116.08 3jx6 s VAL 303 Ca 0.14 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 3jx6 s VAL 303 Cb -0.12 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3jx6 s VAL 303 CO 0.03 0.45 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.48 3jx6 s LYS 304 N 0.58 2.91 -0.25 4.82 2.20 -1.26 -0.43 119.74 128.31 3jx6 s LYS 304 Ca 0.02 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.02 3jx6 s LYS 304 Cb -0.13 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3jx6 s LYS 304 CO 0.02 0.65 0.26 1.21 -0.36 0.00 0.00 175.35 177.13 3jx6 s ASN 305 N -0.77 6.20 0.00 1.43 3.84 0.33 -2.08 114.94 123.89 3jx6 s ASN 305 Ca 0.12 0.21 0.28 0.00 0.21 0.00 0.00 52.86 53.68 3jx6 s ASN 305 Cb -0.11 -2.16 1.07 0.00 -0.55 0.00 0.00 41.25 39.50 3jx6 s ASN 305 CO 0.02 -0.04 1.77 0.79 -2.79 0.00 0.00 177.10 176.85 3jx6 n TRP 306 N 4.71 0.00 -0.10 0.43 7.02 -0.42 -0.01 117.44 129.07 3jx6 n TRP 306 Ca -0.12 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.13 3jx6 n TRP 306 Cb 0.52 -0.24 -0.12 0.00 -2.42 0.00 0.00 31.31 29.05 3jx6 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx6 n GLU 307 N -1.10 0.60 0.00 -0.99 2.13 -1.26 -4.55 120.64 115.47 3jx6 n GLU 307 Ca 0.12 0.44 0.11 0.00 0.66 0.00 0.00 57.16 58.49 3jx6 n GLU 307 Cb 0.30 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3jx6 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx6 n THR 308 N -4.21 0.00 -1.13 6.31 -2.24 -1.22 -4.96 114.28 106.83 3jx6 n THR 308 Ca -0.38 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.07 3jx6 n THR 308 Cb 0.79 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.28 3jx6 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx6 n ASP 309 N 0.08 -5.77 -4.70 3.42 8.00 0.98 -4.95 116.55 113.61 3jx6 n ASP 309 Ca 0.10 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 3jx6 n ASP 309 Cb 0.48 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.79 3jx6 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jx6 s VAL 310 N -1.40 4.66 -0.24 2.53 1.01 -1.21 -4.76 120.40 120.99 3jx6 s VAL 310 Ca 0.00 1.92 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 3jx6 s VAL 310 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3jx6 s VAL 310 CO 0.00 0.09 -0.00 -0.69 0.00 0.00 0.00 175.10 174.49 3jx6 s VAL 311 N 1.48 3.62 0.17 2.92 1.01 -1.26 -0.51 120.40 127.83 3jx6 s VAL 311 Ca 0.52 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3jx6 s VAL 311 Cb -0.22 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3jx6 s VAL 311 CO 0.24 0.34 0.10 -0.76 0.00 0.00 0.00 175.10 175.02 3jx6 s LEU 312 N 1.50 3.67 -0.18 3.92 1.43 0.43 -4.95 118.68 124.49 3jx6 s LEU 312 Ca 0.05 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3jx6 s LEU 312 Cb -0.15 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3jx6 s LEU 312 CO -0.01 0.07 -0.14 -0.89 0.23 0.00 0.00 176.35 175.61 3jx6 s THR 313 N -1.78 2.67 -0.22 5.49 2.01 -1.26 -0.60 115.64 121.95 3jx6 s THR 313 Ca 0.30 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 3jx6 s THR 313 Cb -0.10 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3jx6 s THR 313 CO 0.22 0.50 0.26 -0.62 -0.69 0.00 0.00 174.62 174.29 3jx6 s ASP 314 N 1.16 6.27 -0.00 3.53 -1.08 0.89 -4.63 116.67 122.81 3jx6 s ASP 314 Ca 0.01 0.30 0.04 0.00 -0.52 0.00 0.00 52.55 52.38 3jx6 s ASP 314 Cb -0.14 -2.16 -0.05 0.00 -1.46 0.00 0.00 42.92 39.11 3jx6 s ASP 314 CO -0.05 0.02 0.11 0.35 0.52 0.00 0.00 175.17 176.11 3jx6 n THR 315 N 4.22 0.00 0.22 1.71 -2.24 0.51 -2.70 114.28 116.00 3jx6 n THR 315 Ca -0.12 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.52 3jx6 n THR 315 Cb 0.52 0.65 0.47 0.00 -2.10 0.00 0.00 70.33 69.87 3jx6 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx6 h LEU 316 N 0.00 0.00 -2.23 3.22 5.85 -1.68 -3.00 115.31 117.47 3jx6 h LEU 316 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jx6 h LEU 316 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3jx6 h LEU 316 CO 0.00 0.27 -0.00 1.12 -0.34 0.00 0.00 178.44 179.49 3jx6 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -1.37 115.15 115.25 3jx6 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx6 h HIS 317 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3jx6 h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jx6 n LEU 318 N -4.19 0.28 -0.78 6.12 4.77 -1.13 -0.82 117.00 121.24 3jx6 n LEU 318 Ca -0.03 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 3jx6 n LEU 318 Cb 0.09 -0.52 0.30 0.00 -2.33 0.00 0.00 43.42 40.96 3jx6 n LEU 318 CO 0.31 -0.35 0.74 0.29 -1.33 0.00 0.00 177.39 177.05 3jx6 n LYS 319 N -1.80 2.02 -2.50 3.23 5.02 -0.52 -4.95 118.16 118.67 3jx6 n LYS 319 Ca 0.03 -1.54 -0.34 0.00 -2.02 0.00 0.00 58.31 54.44 3jx6 n LYS 319 Cb 0.21 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3jx6 n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jx6 s SER 320 N -1.51 6.36 0.00 4.39 1.04 0.00 -4.90 113.70 119.08 3jx6 s SER 320 Ca 0.34 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3jx6 s SER 320 Cb 0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.76 3jx6 s SER 320 CO 0.28 -0.77 0.00 1.07 0.98 0.00 0.00 173.24 174.80 3jx6 n THR 321 N -1.13 0.00 -0.98 2.02 5.66 -1.03 -5.05 114.28 113.78 3jx6 n THR 321 Ca 0.09 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.79 3jx6 n THR 321 Cb 0.53 -0.88 0.23 0.00 -1.55 0.00 0.00 70.33 68.65 3jx6 n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3jx6 s LEU 322 N -5.26 0.79 0.17 1.09 1.43 -1.23 -5.06 118.68 110.61 3jx6 s LEU 322 Ca 0.00 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 3jx6 s LEU 322 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3jx6 s LEU 322 CO 0.00 -3.95 0.04 -1.61 0.23 0.00 0.00 176.35 171.06 3jx6 s GLU 323 N -5.12 2.56 -0.00 1.70 2.02 -1.26 -4.67 118.70 113.93 3jx6 s GLU 323 Ca 0.69 -1.02 0.21 0.00 0.02 0.00 0.00 54.97 54.86 3jx6 s GLU 323 Cb -0.15 -2.45 -0.23 0.00 0.10 0.00 0.00 34.13 31.40 3jx6 s GLU 323 CO 0.58 0.47 0.56 0.25 0.02 0.00 0.00 175.26 177.14 3jx6 n THR 324 N -0.16 0.55 0.00 3.63 -2.24 -1.26 -4.94 114.28 109.86 3jx6 n THR 324 Ca -0.09 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3jx6 n THR 324 Cb 0.55 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3jx6 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jx6 n GLY 325 N 1.36 3.07 3.80 3.38 0.00 -1.26 -4.87 105.19 110.66 3jx6 n GLY 325 Ca -0.09 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3jx6 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx6 n THR 327 N -1.37 0.00 0.30 0.00 -2.24 0.02 -5.00 114.28 105.99 3jx6 n THR 327 Ca 0.09 -2.25 0.18 0.00 -2.27 0.00 0.00 64.05 59.80 3jx6 n THR 327 Cb 0.53 0.61 0.89 0.00 -2.10 0.00 0.00 70.33 70.26 3jx6 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3jx6 h GLU 328 N 0.00 0.00 0.06 -0.78 5.08 -2.05 -3.17 114.58 113.73 3jx6 h GLU 328 Ca -0.35 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.66 3jx6 h GLU 328 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3jx6 h GLU 328 CO 0.58 0.03 -2.01 0.72 -1.00 0.00 0.00 179.01 177.32 3jx6 n HIS 329 N -3.20 0.92 -3.69 4.33 8.25 -1.26 -4.98 115.22 115.60 3jx6 n HIS 329 Ca -0.01 0.24 -0.18 0.00 -0.26 0.00 0.00 57.72 57.51 3jx6 n HIS 329 Cb 0.21 -1.14 -0.17 0.00 1.12 0.00 0.00 29.99 30.01 3jx6 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx6 s ILE 330 N -2.56 -0.13 -0.06 1.59 2.07 -1.20 -5.14 121.20 115.77 3jx6 s ILE 330 Ca -0.18 0.36 -0.19 0.00 -1.41 0.00 0.00 60.65 59.23 3jx6 s ILE 330 Cb 0.07 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.43 3jx6 s ILE 330 CO 0.77 0.15 0.51 0.00 -1.91 0.00 0.00 174.94 174.46 3jx6 n MET 332 N 3.09 1.67 0.06 0.00 2.81 -1.26 -4.78 117.12 118.70 3jx6 n MET 332 Ca -0.08 -3.34 0.21 0.00 -1.81 0.00 0.00 57.70 52.68 3jx6 n MET 332 Cb 0.51 -1.64 0.74 0.00 -0.71 0.00 0.00 33.22 32.12 3jx6 n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3jx6 h GLY 333 N 1.05 0.00 -1.84 3.03 0.00 -1.93 -2.01 103.07 101.37 3jx6 h GLY 333 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3jx6 h GLY 333 CO 0.03 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 3jx6 n SER 334 N -3.80 3.01 -4.66 0.19 3.41 -1.26 -4.87 113.62 105.64 3jx6 n SER 334 Ca 0.09 -1.89 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 3jx6 n SER 334 Cb 0.66 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 3jx6 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx6 s ILE 335 N -1.44 4.94 0.35 -1.33 -1.09 -0.76 -4.96 121.20 116.91 3jx6 s ILE 335 Ca 0.30 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 60.13 3jx6 s ILE 335 Cb 0.18 -4.04 0.26 0.00 -1.58 0.00 0.00 42.46 37.29 3jx6 s ILE 335 CO 0.26 0.05 2.01 0.58 -1.23 0.00 0.00 174.94 176.61 3jx6 h VAL 336 N 5.23 1.17 -2.55 2.92 2.07 -1.90 -3.36 116.25 119.83 3jx6 h VAL 336 Ca -0.29 -0.31 -0.60 0.00 0.82 0.00 0.00 66.70 66.32 3jx6 h VAL 336 Cb 1.13 0.23 -0.39 0.00 -1.52 0.00 0.00 31.29 30.74 3jx6 h VAL 336 CO 0.81 0.16 -0.87 0.18 0.02 0.00 0.00 177.57 177.87 3jx6 n LEU 337 N -4.44 0.47 0.04 2.57 4.77 -1.26 -5.13 117.00 114.02 3jx6 n LEU 337 Ca 0.06 -4.60 -0.08 0.00 -0.03 0.00 0.00 56.01 51.37 3jx6 n LEU 337 Cb 0.04 0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 3jx6 n LEU 337 CO 0.36 1.83 -0.01 1.55 -1.33 0.00 0.00 177.39 179.79 3jx6 h PRO 338 N 5.55 0.01 0.00 3.23 0.14 -1.90 -3.53 132.00 135.50 3jx6 h PRO 338 Ca 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.36 3jx6 h PRO 338 Cb 0.87 0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.01 3jx6 h PRO 338 CO 0.47 0.90 0.00 2.41 0.14 0.00 0.00 178.00 181.91 3jx6 n THR 350 N -3.29 0.00 -0.16 1.56 -1.04 -1.26 -4.91 114.28 105.18 3jx6 n THR 350 Ca -0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.88 3jx6 n THR 350 Cb 0.97 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.48 3jx6 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx6 h LYS 351 N 0.00 0.74 0.51 -2.82 1.57 -1.97 -2.67 116.57 111.93 3jx6 h LYS 351 Ca 0.00 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3jx6 h LYS 351 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3jx6 h LYS 351 CO 0.00 0.75 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.95 3jx6 h ASP 352 N 0.61 -0.58 -1.22 0.86 3.45 -1.99 -3.26 116.42 114.29 3jx6 h ASP 352 Ca 0.14 0.02 0.41 0.00 0.43 0.00 0.00 57.03 58.03 3jx6 h ASP 352 Cb 0.36 0.15 -0.11 0.00 -0.56 0.00 0.00 39.33 39.17 3jx6 h ASP 352 CO 0.01 -0.22 0.80 0.00 -1.57 0.00 0.00 179.24 178.26 3jx6 n GLN 353 N -4.95 -0.03 0.07 3.56 6.02 -1.23 -1.94 117.38 118.89 3jx6 n GLN 353 Ca -0.08 1.02 -0.17 0.00 -0.01 0.00 0.00 57.00 57.75 3jx6 n GLN 353 Cb 0.27 -2.05 -0.09 0.00 1.02 0.00 0.00 30.24 29.39 3jx6 n GLN 353 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3jx6 h LEU 354 N 0.00 0.68 -0.13 1.08 5.85 -1.51 -3.31 115.31 117.96 3jx6 h LEU 354 Ca 0.74 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3jx6 h LEU 354 Cb 2.47 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 43.28 3jx6 h LEU 354 CO -0.33 1.40 -0.01 0.15 -0.34 0.00 0.00 178.44 179.30 3jx6 h PHE 355 N 0.25 0.26 -0.52 1.25 3.57 -1.49 -0.93 116.94 119.34 3jx6 h PHE 355 Ca -0.12 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.38 3jx6 h PHE 355 Cb 1.73 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 40.38 3jx6 h PHE 355 CO 0.08 0.50 0.35 -1.00 -2.23 0.00 0.00 178.31 176.01 3jx6 h PRO 356 N -0.04 0.48 -0.58 6.41 0.13 -1.73 0.20 132.00 136.87 3jx6 h PRO 356 Ca 0.04 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3jx6 h PRO 356 Cb 0.40 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.39 3jx6 h PRO 356 CO 0.01 0.32 0.25 -0.07 -0.23 0.00 0.00 178.00 178.28 3jx6 h LEU 357 N 0.50 0.78 -0.48 1.56 3.38 -1.55 0.02 115.31 119.51 3jx6 h LEU 357 Ca 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3jx6 h LEU 357 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3jx6 h LEU 357 CO -0.06 0.72 0.19 0.00 0.09 0.00 0.00 178.44 179.37 3jx6 h ALA 358 N 1.09 0.62 -0.72 1.53 0.00 -0.07 -2.32 119.26 119.40 3jx6 h ALA 358 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3jx6 h ALA 358 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3jx6 h ALA 358 CO -0.02 0.24 0.21 -0.22 0.00 0.00 0.00 179.25 179.46 3jx6 h LYS 359 N 0.64 1.13 -0.02 0.00 3.64 -0.34 -0.20 116.57 121.43 3jx6 h LYS 359 Ca 0.16 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3jx6 h LYS 359 Cb 0.21 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3jx6 h LYS 359 CO -0.01 0.97 0.01 1.49 -2.27 0.00 0.00 179.45 179.64 3jx6 h GLU 360 N 1.07 0.02 0.31 1.90 4.81 -0.87 -0.50 114.58 121.32 3jx6 h GLU 360 Ca 0.23 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3jx6 h GLU 360 Cb 0.32 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3jx6 h GLU 360 CO -0.01 0.17 -0.19 0.35 -0.73 0.00 0.00 179.01 178.61 3jx6 h PHE 361 N -0.13 -0.50 -0.23 0.92 3.57 -1.28 -2.65 116.94 116.64 3jx6 h PHE 361 Ca 0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3jx6 h PHE 361 Cb 0.16 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3jx6 h PHE 361 CO -0.02 -0.30 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.59 3jx6 h LEU 362 N -0.48 0.35 -0.31 0.59 3.38 -0.87 0.47 115.31 118.44 3jx6 h LEU 362 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jx6 h LEU 362 Cb 0.40 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3jx6 h LEU 362 CO 0.03 0.49 0.20 0.44 0.09 0.00 0.00 178.44 179.68 3jx6 h ASP 363 N 0.35 0.36 -0.06 -0.43 5.19 -1.08 -0.65 116.42 120.10 3jx6 h ASP 363 Ca 0.07 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 3jx6 h ASP 363 Cb 0.39 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3jx6 h ASP 363 CO 0.02 0.29 -0.51 0.06 -3.12 0.00 0.00 179.24 175.98 3jx6 h GLN 364 N 0.41 0.64 0.47 3.56 3.07 -0.78 -0.62 115.11 121.86 3jx6 h GLN 364 Ca 0.11 -0.38 -0.02 0.00 0.09 0.00 0.00 58.65 58.45 3jx6 h GLN 364 Cb -0.02 0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3jx6 h GLN 364 CO -0.02 0.99 -0.25 -0.92 0.09 0.00 0.00 178.83 178.72 3jx6 h TYR 365 N 0.50 -0.65 0.00 0.06 3.20 -0.84 -0.55 116.97 118.69 3jx6 h TYR 365 Ca 0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3jx6 h TYR 365 Cb 1.06 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 3jx6 h TYR 365 CO 0.05 -0.40 -0.06 1.88 -1.64 0.00 0.00 178.16 178.00 3jx6 h TYR 366 N -0.67 0.00 -0.50 -3.82 -1.99 -1.05 -0.29 116.97 108.65 3jx6 h TYR 366 Ca -0.06 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.54 3jx6 h TYR 366 Cb 0.53 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 3jx6 h TYR 366 CO -0.06 0.06 -0.19 1.03 -0.00 0.00 0.00 178.16 178.99 3jx6 h SER 367 N 0.00 1.04 -0.33 3.88 0.87 -0.74 0.07 113.55 118.33 3jx6 h SER 367 Ca -0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3jx6 h SER 367 Cb 0.12 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3jx6 h SER 367 CO 0.01 1.19 0.05 0.77 -0.53 0.00 0.00 176.83 178.32 3jx6 h SER 368 N 0.88 0.60 -0.49 6.23 4.64 0.58 -2.12 113.55 123.88 3jx6 h SER 368 Ca 0.12 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3jx6 h SER 368 Cb 0.78 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 3jx6 h SER 368 CO 0.06 0.64 0.13 2.30 -0.87 0.00 0.00 176.83 179.10 3jx6 n ILE 369 N -4.28 2.11 -4.08 0.95 -5.35 -0.97 -4.93 119.36 102.82 3jx6 n ILE 369 Ca 0.02 -1.08 -0.33 0.00 -0.27 0.00 0.00 62.75 61.09 3jx6 n ILE 369 Cb 0.24 -0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 37.71 3jx6 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx6 n LYS 370 N 0.13 -4.29 -0.50 6.28 5.02 -0.80 -4.86 118.16 119.14 3jx6 n LYS 370 Ca 0.26 0.48 0.07 0.00 -2.02 0.00 0.00 58.31 57.09 3jx6 n LYS 370 Cb 1.03 -5.28 0.14 0.00 -0.02 0.00 0.00 35.03 30.90 3jx6 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx6 n ARG 371 N -4.53 1.16 -1.71 1.97 1.74 -0.02 -5.04 116.66 110.23 3jx6 n ARG 371 Ca 0.06 -2.69 -0.42 0.00 -0.77 0.00 0.00 57.85 54.02 3jx6 n ARG 371 Cb 0.51 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 3jx6 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jx6 s PHE 372 N -2.46 2.67 0.00 -1.55 5.36 -1.00 -1.96 117.98 119.04 3jx6 s PHE 372 Ca 0.32 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3jx6 s PHE 372 Cb 0.31 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3jx6 s PHE 372 CO -0.04 -4.54 0.00 0.41 -1.46 0.00 0.00 175.22 169.60 3jx6 n GLY 373 N 4.07 2.58 3.60 13.12 0.00 -1.26 -5.02 105.19 122.27 3jx6 n GLY 373 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3jx6 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx6 s SER 374 N -2.54 2.09 0.14 1.61 1.04 -0.83 -4.75 113.70 110.46 3jx6 s SER 374 Ca 0.00 1.88 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 3jx6 s SER 374 Cb 0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 3jx6 s SER 374 CO 0.00 -3.57 1.76 0.50 0.98 0.00 0.00 173.24 172.91 3jx6 h LYS 375 N -2.19 0.26 -0.92 4.02 3.64 -1.96 -1.61 116.57 117.82 3jx6 h LYS 375 Ca -0.51 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3jx6 h LYS 375 Cb 1.30 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 3jx6 h LYS 375 CO 0.46 0.17 0.56 0.00 -2.27 0.00 0.00 179.45 178.37 3jx6 h ALA 376 N 1.14 1.32 0.19 5.00 0.00 -1.92 0.18 119.26 125.17 3jx6 h ALA 376 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3jx6 h ALA 376 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3jx6 h ALA 376 CO -0.09 0.23 -0.34 1.25 0.00 0.00 0.00 179.25 180.31 3jx6 h HIS 377 N 0.95 -0.95 -0.87 0.00 -0.00 -1.72 -2.39 115.15 110.17 3jx6 h HIS 377 Ca 0.43 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.88 3jx6 h HIS 377 Cb 0.33 0.39 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 3jx6 h HIS 377 CO -0.03 -0.41 0.57 0.52 -0.00 0.00 0.00 177.93 178.58 3jx6 h MET 378 N -0.56 0.96 -0.60 5.26 2.07 -0.33 -1.63 114.93 120.09 3jx6 h MET 378 Ca -0.02 -0.06 -0.10 0.00 -2.07 0.00 0.00 59.70 57.45 3jx6 h MET 378 Cb 0.52 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 3jx6 h MET 378 CO -0.12 0.64 -0.01 -0.44 1.07 0.00 0.00 176.91 178.05 3jx6 h ASP 379 N 0.99 1.06 -0.54 1.22 3.45 -0.69 -0.76 116.42 121.15 3jx6 h ASP 379 Ca 0.37 -0.31 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 3jx6 h ASP 379 Cb 0.19 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3jx6 h ASP 379 CO -0.13 1.11 0.02 -0.09 -1.57 0.00 0.00 179.24 178.57 3jx6 h ARG 380 N 0.98 0.93 -0.99 3.56 9.65 -0.79 0.55 114.38 128.26 3jx6 h ARG 380 Ca 0.17 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3jx6 h ARG 380 Cb 0.58 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 3jx6 h ARG 380 CO 0.03 0.94 0.66 1.25 2.80 0.00 0.00 179.97 185.65 3jx6 h LEU 381 N 0.81 1.13 -0.00 3.80 5.85 -1.04 0.10 115.31 125.97 3jx6 h LEU 381 Ca 0.15 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3jx6 h LEU 381 Cb 0.51 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3jx6 h LEU 381 CO 0.02 0.81 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.86 3jx6 h GLU 382 N 1.33 0.00 -0.43 1.25 4.57 -0.85 -1.63 114.58 118.82 3jx6 h GLU 382 Ca 0.37 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.61 3jx6 h GLU 382 Cb -0.13 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3jx6 h GLU 382 CO -0.09 0.34 0.11 1.49 -1.18 0.00 0.00 179.01 179.69 3jx6 h GLU 383 N -0.34 0.25 -0.48 1.92 4.81 -0.38 0.20 114.58 120.57 3jx6 h GLU 383 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3jx6 h GLU 383 Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3jx6 h GLU 383 CO 0.00 0.17 0.04 0.28 -0.73 0.00 0.00 179.01 178.77 3jx6 h VAL 384 N 0.26 1.26 -0.69 0.32 2.07 -0.86 -0.76 116.25 117.85 3jx6 h VAL 384 Ca 0.21 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.81 3jx6 h VAL 384 Cb 0.23 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3jx6 h VAL 384 CO -0.25 0.35 0.37 -1.13 0.02 0.00 0.00 177.57 176.93 3jx6 h ASN 385 N 0.68 0.51 0.84 0.57 -1.24 -0.75 -1.14 115.58 115.04 3jx6 h ASN 385 Ca 0.14 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.08 3jx6 h ASN 385 Cb 0.45 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3jx6 h ASN 385 CO 0.02 0.31 -0.54 0.11 -1.29 0.00 0.00 177.43 176.04 3jx6 h LYS 386 N 0.65 0.00 -0.25 6.67 1.57 -0.61 -2.96 116.57 121.64 3jx6 h LYS 386 Ca 0.32 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 3jx6 h LYS 386 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3jx6 h LYS 386 CO -0.22 0.54 -0.53 1.49 -0.57 0.00 0.00 179.45 180.16 3jx6 h GLU 387 N 0.00 0.72 -0.39 3.15 4.81 -0.52 -3.07 114.58 119.28 3jx6 h GLU 387 Ca -0.01 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 3jx6 h GLU 387 Cb 1.10 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3jx6 h GLU 387 CO 0.07 1.06 -0.07 0.82 -0.73 0.00 0.00 179.01 180.17 3jx6 h ILE 388 N 0.56 1.27 -0.18 2.32 2.04 -1.20 -0.54 117.51 121.78 3jx6 h ILE 388 Ca 0.02 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3jx6 h ILE 388 Cb 1.10 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3jx6 h ILE 388 CO 0.11 0.38 0.10 -0.33 0.00 0.00 0.00 178.15 178.41 3jx6 h GLU 389 N 0.55 0.24 0.00 2.37 4.39 -1.51 0.44 114.58 121.06 3jx6 h GLU 389 Ca 0.10 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.58 3jx6 h GLU 389 Cb 0.58 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3jx6 h GLU 389 CO 0.03 0.21 -1.39 0.66 -1.16 0.00 0.00 179.01 177.37 3jx6 h SER 390 N 0.20 0.00 0.00 1.42 4.64 -1.59 -3.38 113.55 114.84 3jx6 h SER 390 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3jx6 h SER 390 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3jx6 h SER 390 CO -0.01 0.71 -1.00 0.35 -0.87 0.00 0.00 176.83 176.01 3jx6 n THR 391 N -2.98 0.00 -0.10 2.95 -2.24 -0.21 -5.01 114.28 106.68 3jx6 n THR 391 Ca -0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3jx6 n THR 391 Cb 0.89 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3jx6 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx6 n SER 392 N -1.56 0.00 -2.25 3.42 3.41 0.15 -4.94 113.62 111.86 3jx6 n SER 392 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.52 3jx6 n SER 392 Cb 0.26 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3jx6 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx6 n THR 393 N -2.00 0.00 -4.00 6.66 5.66 -1.26 -4.81 114.28 114.53 3jx6 n THR 393 Ca 0.00 -1.21 -0.10 0.00 -3.05 0.00 0.00 64.05 59.70 3jx6 n THR 393 Cb 0.00 0.68 -0.07 0.00 -1.55 0.00 0.00 70.33 69.40 3jx6 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx6 s TYR 394 N -3.42 0.47 -0.10 1.09 -0.85 -1.26 -3.63 117.35 109.66 3jx6 s TYR 394 Ca 0.20 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3jx6 s TYR 394 Cb 0.00 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 3jx6 s TYR 394 CO 0.14 -0.82 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.59 3jx6 s GLN 395 N -4.01 3.09 0.38 -3.49 -1.52 -1.26 -5.06 119.66 107.79 3jx6 s GLN 395 Ca 0.22 -0.64 -0.25 0.00 -1.95 0.00 0.00 55.36 52.75 3jx6 s GLN 395 Cb 0.02 -2.60 -0.09 0.00 -0.22 0.00 0.00 33.01 30.12 3jx6 s GLN 395 CO 0.05 0.41 1.04 -0.51 -0.25 0.00 0.00 175.29 176.03 3jx6 s LEU 396 N -0.14 4.19 0.61 2.90 1.43 -1.26 -5.05 118.68 121.36 3jx6 s LEU 396 Ca 0.00 2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 54.97 3jx6 s LEU 396 Cb -0.13 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 3jx6 s LEU 396 CO 0.03 -0.43 1.11 -0.54 0.23 0.00 0.00 176.35 176.76 3jx6 s LYS 397 N -2.39 3.03 0.21 1.70 -0.14 -1.26 -4.84 119.74 116.05 3jx6 s LYS 397 Ca 0.56 1.45 -0.09 0.00 -1.36 0.00 0.00 55.97 56.53 3jx6 s LYS 397 Cb -0.22 -1.98 0.30 0.00 -1.68 0.00 0.00 37.83 34.25 3jx6 s LYS 397 CO 0.28 -1.08 1.71 -0.44 -0.76 0.00 0.00 175.35 175.06 3jx6 h ASP 398 N 0.46 0.03 -0.98 2.83 5.19 -1.98 0.32 116.42 122.29 3jx6 h ASP 398 Ca -0.48 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.05 3jx6 h ASP 398 Cb 1.25 0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 3jx6 h ASP 398 CO 0.55 0.02 0.63 0.71 -3.12 0.00 0.00 179.24 178.04 3jx6 h THR 399 N 0.28 1.26 -0.48 0.35 1.35 -1.99 0.13 112.91 113.80 3jx6 h THR 399 Ca 0.32 -0.49 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 3jx6 h THR 399 Cb 0.47 -0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 3jx6 h THR 399 CO -0.40 0.25 -0.16 -0.33 -0.25 0.00 0.00 175.52 174.64 3jx6 h GLU 400 N 1.34 0.94 -0.32 4.72 5.08 -1.59 -1.80 114.58 122.94 3jx6 h GLU 400 Ca 0.36 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3jx6 h GLU 400 Cb -0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3jx6 h GLU 400 CO -0.07 1.02 0.01 1.25 -1.00 0.00 0.00 179.01 180.22 3jx6 h LEU 401 N 0.82 0.55 0.12 1.33 5.85 0.37 -0.41 115.31 123.95 3jx6 h LEU 401 Ca 0.12 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3jx6 h LEU 401 Cb 0.71 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3jx6 h LEU 401 CO 0.05 0.72 -0.06 0.40 -0.34 0.00 0.00 178.44 179.22 3jx6 h ILE 402 N 0.37 0.94 -0.69 4.05 2.04 -0.69 -1.29 117.51 122.25 3jx6 h ILE 402 Ca 0.09 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.86 3jx6 h ILE 402 Cb 0.43 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 3jx6 h ILE 402 CO 0.01 0.05 0.25 0.22 0.00 0.00 0.00 178.15 178.69 3jx6 h TYR 403 N -0.26 0.43 -0.41 1.37 3.20 -1.35 -1.98 116.97 117.98 3jx6 h TYR 403 Ca -0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3jx6 h TYR 403 Cb 0.21 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3jx6 h TYR 403 CO -0.04 0.07 0.09 0.78 -1.64 0.00 0.00 178.16 177.42 3jx6 h GLY 404 N 0.41 0.71 0.73 1.82 0.00 -0.56 -1.56 103.07 104.62 3jx6 h GLY 404 Ca 0.36 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3jx6 h GLY 404 CO -0.37 0.42 -0.02 0.00 0.00 0.00 0.00 176.54 176.58 3jx6 h ALA 405 N 0.94 -0.05 -0.91 3.60 0.00 -1.05 0.39 119.26 122.19 3jx6 h ALA 405 Ca 0.13 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3jx6 h ALA 405 Cb 0.33 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3jx6 h ALA 405 CO 0.00 -0.39 0.58 0.87 0.00 0.00 0.00 179.25 180.31 3jx6 h LYS 406 N -0.33 0.79 0.00 0.00 1.57 -1.26 -1.28 116.57 116.06 3jx6 h LYS 406 Ca -0.01 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3jx6 h LYS 406 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3jx6 h LYS 406 CO 0.01 0.52 -0.75 0.45 -0.57 0.00 0.00 179.45 179.12 3jx6 h HIS 407 N 0.81 0.00 -0.73 -1.35 3.86 -0.92 0.28 115.15 117.10 3jx6 h HIS 407 Ca 0.44 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.60 3jx6 h HIS 407 Cb 0.56 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 3jx6 h HIS 407 CO -0.00 0.75 0.25 0.00 0.86 0.00 0.00 177.93 179.78 3jx6 h ALA 408 N 1.25 1.06 0.23 2.45 0.00 0.25 -0.02 119.26 124.48 3jx6 h ALA 408 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3jx6 h ALA 408 Cb 1.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3jx6 h ALA 408 CO 0.10 0.64 -0.11 2.35 0.00 0.00 0.00 179.25 182.23 3jx6 h TRP 409 N 1.07 -0.29 -1.31 0.00 7.01 -1.25 -2.34 115.95 118.85 3jx6 h TRP 409 Ca 0.24 -0.01 0.40 0.00 2.11 0.00 0.00 58.89 61.63 3jx6 h TRP 409 Cb 0.27 0.09 -0.10 0.00 -2.10 0.00 0.00 29.16 27.32 3jx6 h TRP 409 CO 0.02 0.04 0.88 -0.09 -2.79 0.00 0.00 178.44 176.51 3jx6 h ARG 410 N -0.64 0.13 -0.01 2.65 2.43 -0.71 0.20 114.38 118.42 3jx6 h ARG 410 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3jx6 h ARG 410 Cb 0.46 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3jx6 h ARG 410 CO 0.05 0.09 -0.23 0.09 -1.51 0.00 0.00 179.97 178.46 3jx6 n ASN 411 N -4.50 1.41 -4.56 -3.80 3.02 -0.04 -4.84 115.26 101.95 3jx6 n ASN 411 Ca 0.33 -1.19 -0.34 0.00 -0.03 0.00 0.00 54.58 53.35 3jx6 n ASN 411 Cb 1.34 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 40.63 3jx6 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx6 s ALA 412 N -2.37 2.12 0.40 5.41 0.00 0.06 -4.73 121.76 122.65 3jx6 s ALA 412 Ca 0.26 -1.33 0.38 0.00 0.00 0.00 0.00 51.96 51.27 3jx6 s ALA 412 Cb 0.19 -4.44 1.89 0.00 0.00 0.00 0.00 23.12 20.76 3jx6 s ALA 412 CO 0.48 -4.16 2.18 0.66 0.00 0.00 0.00 175.76 174.92 3jx6 h SER 413 N 12.08 0.00 0.42 0.00 4.64 -1.87 -1.27 113.55 127.55 3jx6 h SER 413 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3jx6 h SER 413 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3jx6 h SER 413 CO 1.26 0.01 -0.12 0.54 -0.87 0.00 0.00 176.83 177.64 3jx6 n ARG 414 N -3.14 0.59 -3.43 4.77 1.74 -1.26 -0.40 116.66 115.53 3jx6 n ARG 414 Ca -0.01 -0.20 -0.40 0.00 -0.77 0.00 0.00 57.85 56.47 3jx6 n ARG 414 Cb 0.19 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3jx6 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx6 n VAL 416 N 5.19 0.38 -0.21 0.00 3.14 -1.26 -3.76 118.33 121.80 3jx6 n VAL 416 Ca -0.10 -0.04 0.09 0.00 -2.96 0.00 0.00 64.34 61.33 3jx6 n VAL 416 Cb 0.50 -0.64 0.30 0.00 -1.06 0.00 0.00 33.84 32.94 3jx6 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx6 n GLY 417 N 1.14 2.22 0.14 7.55 0.00 -1.26 -4.30 105.19 110.69 3jx6 n GLY 417 Ca 0.06 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3jx6 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx6 n ARG 418 N 1.14 0.20 0.17 1.61 1.74 -1.25 -2.44 116.66 117.84 3jx6 n ARG 418 Ca 0.22 0.45 0.17 0.00 -0.77 0.00 0.00 57.85 57.93 3jx6 n ARG 418 Cb 0.69 -1.91 0.67 0.00 -1.02 0.00 0.00 32.46 30.90 3jx6 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx6 h ILE 419 N 0.00 0.16 -0.00 0.55 2.10 -1.87 0.22 117.51 118.66 3jx6 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx6 h ILE 419 Cb 0.34 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3jx6 h ILE 419 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 178.15 176.93 3jx6 n GLN 420 N -3.24 0.76 -0.09 2.19 1.13 -1.02 -4.63 117.38 112.48 3jx6 n GLN 420 Ca 0.05 -0.32 0.25 0.00 -1.94 0.00 0.00 57.00 55.03 3jx6 n GLN 420 Cb 0.66 -1.49 0.71 0.00 0.11 0.00 0.00 30.24 30.23 3jx6 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx6 h TRP 421 N 0.78 0.00 0.00 1.08 5.08 -0.79 0.12 115.95 122.22 3jx6 h TRP 421 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3jx6 h TRP 421 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 3jx6 h TRP 421 CO 0.00 0.00 -0.50 -1.13 -1.28 0.00 0.00 178.44 175.53 3jx6 n SER 422 N -4.28 0.51 -3.90 0.11 3.41 -1.26 -4.20 113.62 104.01 3jx6 n SER 422 Ca 0.14 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3jx6 n SER 422 Cb 0.79 0.17 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 3jx6 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jx6 n LYS 423 N -1.68 4.43 -4.22 4.33 4.76 0.43 -4.95 118.16 121.28 3jx6 n LYS 423 Ca 0.05 -4.30 -0.34 0.00 -2.87 0.00 0.00 58.31 50.86 3jx6 n LYS 423 Cb 0.37 -2.60 -0.15 0.00 -1.84 0.00 0.00 35.03 30.80 3jx6 n LYS 423 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3jx6 s LEU 424 N -2.40 2.49 -0.06 -0.35 2.96 -1.26 -4.54 118.68 115.52 3jx6 s LEU 424 Ca 0.35 -0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 3jx6 s LEU 424 Cb 0.08 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 3jx6 s LEU 424 CO 0.05 0.03 0.95 -1.58 -1.32 0.00 0.00 176.35 174.48 3jx6 s GLN 425 N 1.16 4.47 -0.14 1.98 2.00 -0.90 -4.97 119.66 123.26 3jx6 s GLN 425 Ca 0.01 1.33 0.00 0.00 -2.00 0.00 0.00 55.36 54.70 3jx6 s GLN 425 Cb -0.14 -3.50 -0.01 0.00 0.80 0.00 0.00 33.01 30.16 3jx6 s GLN 425 CO -0.05 -0.17 -0.14 0.08 -0.50 0.00 0.00 175.29 174.51 3jx6 s VAL 426 N 1.49 2.91 -0.25 1.34 1.01 -1.26 -1.81 120.40 123.82 3jx6 s VAL 426 Ca 0.48 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3jx6 s VAL 426 Cb -0.19 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3jx6 s VAL 426 CO 0.22 0.52 -0.02 -0.36 0.00 0.00 0.00 175.10 175.46 3jx6 s PHE 427 N 0.48 3.05 -0.71 5.22 0.08 -0.33 -4.98 117.98 120.78 3jx6 s PHE 427 Ca -0.10 -1.20 -0.25 0.00 0.12 0.00 0.00 56.93 55.50 3jx6 s PHE 427 Cb -0.16 -2.12 0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3jx6 s PHE 427 CO 0.05 -0.63 1.15 0.34 -0.10 0.00 0.00 175.22 176.03 3jx6 s ASP 428 N 1.42 6.17 -0.38 1.36 3.68 -1.26 -1.53 116.67 126.13 3jx6 s ASP 428 Ca 0.03 -0.69 0.07 0.00 2.13 0.00 0.00 52.55 54.08 3jx6 s ASP 428 Cb -0.16 -2.50 0.64 0.00 -1.45 0.00 0.00 42.92 39.45 3jx6 s ASP 428 CO -0.02 -1.67 1.77 0.00 0.13 0.00 0.00 175.17 175.38 3jx6 n ALA 429 N 8.67 5.03 0.37 3.66 0.00 -0.19 -4.60 120.51 133.44 3jx6 n ALA 429 Ca 0.00 -2.86 0.10 0.00 0.00 0.00 0.00 53.44 50.68 3jx6 n ALA 429 Cb 0.47 -1.21 0.42 0.00 0.00 0.00 0.00 19.45 19.14 3jx6 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx6 n ARG 430 N -0.96 0.12 -0.02 0.00 1.74 -1.05 -2.16 116.66 114.33 3jx6 n ARG 430 Ca 0.49 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 58.10 3jx6 n ARG 430 Cb 1.44 -1.76 0.62 0.00 -1.02 0.00 0.00 32.46 31.74 3jx6 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx6 n ASP 431 N -2.00 0.66 -4.76 0.55 3.85 -1.26 -4.51 116.55 109.07 3jx6 n ASP 431 Ca 0.02 -1.38 -0.40 0.00 -0.71 0.00 0.00 54.79 52.32 3jx6 n ASP 431 Cb 0.17 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 39.88 3jx6 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jx6 n THR 433 N 0.86 0.00 -4.60 0.00 -2.24 -1.26 -4.75 114.28 102.29 3jx6 n THR 433 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3jx6 n THR 433 Cb 0.46 -0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 3jx6 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx6 s THR 434 N -1.77 1.92 0.28 4.28 -4.23 -1.26 -4.56 115.64 110.29 3jx6 s THR 434 Ca 0.00 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3jx6 s THR 434 Cb 0.00 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 3jx6 s THR 434 CO 0.00 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.73 3jx6 h ALA 435 N 1.69 1.03 -0.55 3.99 0.00 -1.92 -2.29 119.26 121.22 3jx6 h ALA 435 Ca -0.44 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 53.89 3jx6 h ALA 435 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3jx6 h ALA 435 CO 0.79 0.71 0.11 0.45 0.00 0.00 0.00 179.25 181.32 3jx6 h HIS 436 N 0.00 0.94 -0.50 0.00 3.86 -1.95 -1.17 115.15 116.33 3jx6 h HIS 436 Ca -0.01 -0.12 0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3jx6 h HIS 436 Cb 1.02 -0.26 -0.10 0.00 1.06 0.00 0.00 27.41 29.14 3jx6 h HIS 436 CO 0.00 0.82 -0.13 0.78 0.86 0.00 0.00 177.93 180.26 3jx6 h GLY 437 N 0.78 0.34 1.09 2.45 0.00 -1.83 -1.72 103.07 104.18 3jx6 h GLY 437 Ca 0.17 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 3jx6 h GLY 437 CO 0.01 -0.19 0.43 -0.33 0.00 0.00 0.00 176.54 176.45 3jx6 h MET 438 N -0.01 1.19 -0.40 4.80 0.00 -1.01 -1.56 114.93 117.93 3jx6 h MET 438 Ca 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 59.70 59.73 3jx6 h MET 438 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 31.60 31.74 3jx6 h MET 438 CO -0.52 0.89 0.05 0.35 0.00 0.00 0.00 176.91 177.68 3jx6 h PHE 439 N 1.18 0.73 -0.24 -0.22 -0.00 -0.60 0.05 116.94 117.84 3jx6 h PHE 439 Ca 0.29 -0.11 0.04 0.00 -0.00 0.00 0.00 57.97 58.20 3jx6 h PHE 439 Cb 0.07 -0.20 -0.04 0.00 -0.00 0.00 0.00 35.95 35.79 3jx6 h PHE 439 CO 0.01 0.72 -0.00 -0.97 -0.00 0.00 0.00 178.31 178.07 3jx6 h ASN 440 N 0.52 -0.10 -0.23 0.41 -1.24 -0.96 -1.52 115.58 112.47 3jx6 h ASN 440 Ca 0.12 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 3jx6 h ASN 440 Cb 0.39 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 3jx6 h ASN 440 CO 0.01 -0.02 0.08 1.88 -1.29 0.00 0.00 177.43 178.09 3jx6 h TYR 441 N 0.07 0.42 0.01 0.67 -1.99 -1.07 -2.19 116.97 112.90 3jx6 h TYR 441 Ca 0.11 -0.02 -0.26 0.00 2.00 0.00 0.00 58.73 60.57 3jx6 h TYR 441 Cb 0.15 -0.13 0.02 0.00 2.00 0.00 0.00 36.73 38.76 3jx6 h TYR 441 CO -0.19 0.37 -1.04 0.82 -0.00 0.00 0.00 178.16 178.12 3jx6 h ILE 442 N 0.42 1.32 -0.68 -2.88 2.04 -0.68 -1.95 117.51 115.09 3jx6 h ILE 442 Ca 0.10 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.61 3jx6 h ILE 442 Cb 0.16 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 3jx6 h ILE 442 CO -0.00 0.71 0.34 0.00 0.00 0.00 0.00 178.15 179.20 3jx6 h ASN 444 N 0.93 0.00 0.04 0.00 2.35 -1.37 -0.26 115.58 117.28 3jx6 h ASN 444 Ca 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3jx6 h ASN 444 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3jx6 h ASN 444 CO -0.03 0.42 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.41 3jx6 h HIS 445 N 0.00 -0.04 -0.26 1.19 2.76 -0.85 -1.21 115.15 116.74 3jx6 h HIS 445 Ca -0.00 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3jx6 h HIS 445 Cb 0.75 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 3jx6 h HIS 445 CO 0.00 0.26 0.08 0.28 -1.30 0.00 0.00 177.93 177.25 3jx6 h VAL 446 N -0.35 0.92 0.09 5.26 2.07 -0.66 0.12 116.25 123.71 3jx6 h VAL 446 Ca -0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3jx6 h VAL 446 Cb 0.33 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3jx6 h VAL 446 CO 0.01 0.03 -0.04 0.50 0.02 0.00 0.00 177.57 178.09 3jx6 h LYS 447 N 0.19 -0.12 -0.92 1.57 3.64 -1.06 -0.09 116.57 119.78 3jx6 h LYS 447 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3jx6 h LYS 447 Cb 0.09 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3jx6 h LYS 447 CO -0.13 0.01 0.60 -0.92 -2.27 0.00 0.00 179.45 176.74 3jx6 h TYR 448 N -0.22 1.17 -0.07 1.91 3.20 -1.08 -1.84 116.97 120.04 3jx6 h TYR 448 Ca -0.01 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 3jx6 h TYR 448 Cb 0.18 -0.39 0.01 0.00 1.54 0.00 0.00 36.73 38.07 3jx6 h TYR 448 CO -0.04 0.75 -0.63 0.00 -1.64 0.00 0.00 178.16 176.59 3jx6 h ALA 449 N 1.33 0.17 0.29 1.82 0.00 -0.53 -3.29 119.26 119.05 3jx6 h ALA 449 Ca 0.34 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3jx6 h ALA 449 Cb -0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3jx6 h ALA 449 CO -0.07 0.46 -0.24 1.15 0.00 0.00 0.00 179.25 180.55 3jx6 h THR 450 N 0.16 0.50 -6.40 0.00 2.02 -0.98 0.25 112.91 108.46 3jx6 h THR 450 Ca -0.06 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.64 3jx6 h THR 450 Cb 1.29 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3jx6 h THR 450 CO 0.13 0.00 -0.87 -3.20 0.37 0.00 0.00 175.52 171.94 3jx6 n ASN 451 N -5.36 -0.48 -1.98 4.18 5.15 -0.70 -1.45 115.26 114.62 3jx6 n ASN 451 Ca -0.09 -0.96 -0.19 0.00 -0.60 0.00 0.00 54.58 52.74 3jx6 n ASN 451 Cb 0.27 -3.29 -0.04 0.00 -0.53 0.00 0.00 39.78 36.19 3jx6 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx6 n LYS 452 N -4.37 -1.62 0.00 1.20 5.02 -1.26 -1.69 118.16 115.44 3jx6 n LYS 452 Ca -0.31 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3jx6 n LYS 452 Cb 0.69 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 3jx6 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx6 n GLY 453 N -0.65 2.13 3.35 0.72 0.00 -0.53 -4.90 105.19 105.30 3jx6 n GLY 453 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3jx6 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx6 n ASN 454 N 0.00 5.22 -4.77 1.61 4.05 -0.68 -0.63 115.26 120.07 3jx6 n ASN 454 Ca 0.00 -3.01 -0.38 0.00 0.45 0.00 0.00 54.58 51.64 3jx6 n ASN 454 Cb 0.00 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 39.46 3jx6 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx6 s LEU 455 N 1.13 4.06 -0.04 1.20 1.43 -1.24 -4.57 118.68 120.64 3jx6 s LEU 455 Ca 0.42 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.04 3jx6 s LEU 455 Cb -0.01 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3jx6 s LEU 455 CO 0.00 -1.00 -0.09 -0.13 0.23 0.00 0.00 176.35 175.36 3jx6 s ARG 456 N -2.57 1.19 0.40 1.70 0.52 0.08 -5.01 118.95 115.26 3jx6 s ARG 456 Ca 0.63 -0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 55.31 3jx6 s ARG 456 Cb -0.34 -1.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.97 3jx6 s ARG 456 CO 0.42 0.03 1.04 -1.54 0.02 0.00 0.00 175.30 175.27 3jx6 s SER 457 N 0.57 6.77 0.07 0.23 1.04 -1.26 -4.47 113.70 116.64 3jx6 s SER 457 Ca -0.10 2.02 -0.26 0.00 0.48 0.00 0.00 55.95 58.09 3jx6 s SER 457 Cb -0.13 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.49 3jx6 s SER 457 CO 0.02 -0.48 0.76 0.00 0.98 0.00 0.00 173.24 174.51 3jx6 s ALA 458 N -1.68 -1.73 -0.03 5.32 0.00 -0.68 -2.12 121.76 120.85 3jx6 s ALA 458 Ca 0.58 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 3jx6 s ALA 458 Cb -0.21 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3jx6 s ALA 458 CO 0.27 -0.72 0.13 -1.50 0.00 0.00 0.00 175.76 173.94 3jx6 s ILE 459 N -3.37 0.03 -0.09 0.00 2.07 -0.75 -0.58 121.20 118.50 3jx6 s ILE 459 Ca 0.03 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 59.08 3jx6 s ILE 459 Cb -0.01 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.31 3jx6 s ILE 459 CO -0.11 -0.13 -0.24 -0.89 -1.91 0.00 0.00 174.94 171.67 3jx6 s THR 460 N -0.39 2.05 -0.27 4.00 2.01 0.19 -1.19 115.64 122.03 3jx6 s THR 460 Ca -0.05 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.96 3jx6 s THR 460 Cb -0.03 -1.77 0.07 0.00 0.01 0.00 0.00 72.50 70.78 3jx6 s THR 460 CO 0.01 0.56 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.80 3jx6 s ILE 461 N 0.29 2.08 0.76 1.82 1.01 -0.58 -2.92 121.20 123.66 3jx6 s ILE 461 Ca -0.17 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.64 3jx6 s ILE 461 Cb -0.18 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.06 3jx6 s ILE 461 CO 0.08 -0.17 1.13 -0.36 0.00 0.00 0.00 174.94 175.62 3jx6 s PHE 462 N 1.11 3.09 0.47 3.97 0.08 -0.98 -1.02 117.98 124.70 3jx6 s PHE 462 Ca -0.04 0.83 -0.22 0.00 0.12 0.00 0.00 56.93 57.62 3jx6 s PHE 462 Cb -0.20 -3.30 -0.10 0.00 -0.57 0.00 0.00 43.02 38.85 3jx6 s PHE 462 CO -0.06 -1.51 0.88 -2.30 -0.10 0.00 0.00 175.22 172.13 3jx6 n PRO 463 N -3.16 1.06 -1.63 0.24 -0.02 -1.25 -4.70 135.00 125.55 3jx6 n PRO 463 Ca 0.07 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3jx6 n PRO 463 Cb 0.59 -1.94 0.06 0.00 -0.02 0.00 0.00 33.50 32.19 3jx6 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx6 s GLN 464 N -2.08 2.72 0.33 -0.52 -2.07 -1.26 -4.55 119.66 112.23 3jx6 s GLN 464 Ca 0.66 1.25 -0.28 0.00 -1.82 0.00 0.00 55.36 55.17 3jx6 s GLN 464 Cb -0.53 -1.95 -0.13 0.00 -1.09 0.00 0.00 33.01 29.32 3jx6 s GLN 464 CO 0.55 -1.29 1.25 -2.13 -1.32 0.00 0.00 175.29 172.35 3jx6 n ARG 465 N -2.78 2.00 0.00 9.60 0.63 0.90 -4.90 116.66 122.11 3jx6 n ARG 465 Ca 0.09 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 3jx6 n ARG 465 Cb 0.53 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.19 3jx6 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx6 n THR 466 N 0.39 0.00 -0.72 5.15 -2.24 -1.26 -4.76 114.28 110.83 3jx6 n THR 466 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 3jx6 n THR 466 Cb 0.35 -0.61 0.16 0.00 -2.10 0.00 0.00 70.33 68.13 3jx6 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx6 n ASP 467 N -0.94 2.93 0.00 3.42 5.68 -1.26 -4.98 116.55 121.41 3jx6 n ASP 467 Ca 0.00 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 3jx6 n ASP 467 Cb 0.00 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 3jx6 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx6 n GLY 468 N -0.64 1.69 1.05 6.12 0.00 -1.26 -4.76 105.19 107.39 3jx6 n GLY 468 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3jx6 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx6 n LYS 469 N -2.00 3.08 -1.04 1.61 5.02 -1.26 -4.47 118.16 119.10 3jx6 n LYS 469 Ca 0.00 -2.91 0.01 0.00 -2.02 0.00 0.00 58.31 53.40 3jx6 n LYS 469 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3jx6 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx6 n HIS 470 N -0.43 0.00 -1.89 2.13 8.25 -1.26 -4.39 115.22 117.63 3jx6 n HIS 470 Ca 0.23 -0.30 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 3jx6 n HIS 470 Cb 0.95 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 32.03 3jx6 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx6 s ASP 471 N -1.43 6.45 0.19 0.41 1.11 -1.26 -2.92 116.67 119.22 3jx6 s ASP 471 Ca 0.17 2.94 -0.17 0.00 0.18 0.00 0.00 52.55 55.67 3jx6 s ASP 471 Cb 0.19 -2.66 -0.08 0.00 1.07 0.00 0.00 42.92 41.44 3jx6 s ASP 471 CO -0.08 -0.79 0.65 -0.36 1.18 0.00 0.00 175.17 175.77 3jx6 s PHE 472 N -1.13 3.62 -0.19 4.23 0.40 -1.26 -0.47 117.98 123.17 3jx6 s PHE 472 Ca 0.52 1.25 -0.22 0.00 -0.60 0.00 0.00 56.93 57.88 3jx6 s PHE 472 Cb -0.44 -2.51 0.06 0.00 0.51 0.00 0.00 43.02 40.63 3jx6 s PHE 472 CO 0.60 0.37 0.59 1.03 0.70 0.00 0.00 175.22 178.51 3jx6 s ARG 473 N -2.00 0.74 -0.27 0.44 1.81 -0.65 -3.07 118.95 115.95 3jx6 s ARG 473 Ca 0.41 0.71 -0.07 0.00 -1.72 0.00 0.00 55.73 55.07 3jx6 s ARG 473 Cb -0.16 0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 34.69 3jx6 s ARG 473 CO 0.20 -0.12 0.06 0.08 -0.68 0.00 0.00 175.30 174.84 3jx6 s VAL 474 N 0.06 3.99 0.29 3.52 1.01 -1.26 -0.95 120.40 127.05 3jx6 s VAL 474 Ca -0.02 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.57 3jx6 s VAL 474 Cb -0.04 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3jx6 s VAL 474 CO 0.02 0.22 1.65 -0.50 0.00 0.00 0.00 175.10 176.50 3jx6 h TRP 475 N 8.22 0.13 -4.13 5.22 4.06 -1.52 -3.42 115.95 124.51 3jx6 h TRP 475 Ca -0.35 -0.04 -0.55 0.00 2.06 0.00 0.00 58.89 60.00 3jx6 h TRP 475 Cb 1.15 -0.03 0.16 0.00 -1.00 0.00 0.00 29.16 29.44 3jx6 h TRP 475 CO 0.63 0.61 0.47 -0.80 -3.56 0.00 0.00 178.44 175.80 3jx6 s ASN 476 N -6.88 4.47 0.14 -3.49 -0.87 -1.26 -4.92 114.94 102.12 3jx6 s ASN 476 Ca -0.03 2.53 0.15 0.00 -1.57 0.00 0.00 52.86 53.94 3jx6 s ASN 476 Cb 0.13 -2.61 -0.08 0.00 -0.02 0.00 0.00 41.25 38.67 3jx6 s ASN 476 CO 0.77 -2.09 1.10 0.77 -2.57 0.00 0.00 177.10 175.07 3jx6 h SER 477 N 0.27 0.00 -4.50 -1.22 4.64 -1.92 -3.36 113.55 107.47 3jx6 h SER 477 Ca -0.50 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.47 3jx6 h SER 477 Cb 1.32 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.21 3jx6 h SER 477 CO 0.52 0.63 -0.76 -1.10 -0.87 0.00 0.00 176.83 175.25 3jx6 s GLN 478 N -2.89 0.77 0.27 4.77 -0.21 -1.26 -1.09 119.66 120.02 3jx6 s GLN 478 Ca -0.00 -0.98 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 3jx6 s GLN 478 Cb 0.08 -0.63 0.51 0.00 1.00 0.00 0.00 33.01 33.97 3jx6 s GLN 478 CO 0.79 0.13 1.81 -0.07 -2.12 0.00 0.00 175.29 175.82 3jx6 h LEU 479 N 4.10 0.74 -8.22 2.90 3.38 -1.23 -3.38 115.31 113.60 3jx6 h LEU 479 Ca -0.39 0.06 -0.66 0.00 0.09 0.00 0.00 57.88 56.98 3jx6 h LEU 479 Cb 1.19 -0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.55 3jx6 h LEU 479 CO 0.44 0.38 -0.78 -0.63 0.09 0.00 0.00 178.44 177.94 3jx6 s ILE 480 N -5.98 2.77 0.15 1.22 1.01 -1.26 -4.88 121.20 114.23 3jx6 s ILE 480 Ca -0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 3jx6 s ILE 480 Cb 0.21 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3jx6 s ILE 480 CO 0.79 0.43 0.41 -0.13 0.00 0.00 0.00 174.94 176.45 3jx6 s ARG 481 N 1.38 1.16 -0.11 2.79 0.52 -1.26 -4.88 118.95 118.55 3jx6 s ARG 481 Ca 0.05 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 3jx6 s ARG 481 Cb -0.14 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 3jx6 s ARG 481 CO -0.07 -0.46 0.12 0.71 0.02 0.00 0.00 175.30 175.61 3jx6 s TYR 482 N -3.85 3.52 0.85 -0.53 4.12 -1.26 -0.09 117.35 120.11 3jx6 s TYR 482 Ca 0.07 0.46 -0.10 0.00 0.02 0.00 0.00 57.07 57.51 3jx6 s TYR 482 Cb 0.01 -1.91 0.11 0.00 -1.52 0.00 0.00 41.96 38.65 3jx6 s TYR 482 CO -0.08 0.69 1.11 0.00 0.02 0.00 0.00 175.55 177.29 3jx6 s ALA 483 N -1.02 1.78 -0.08 3.71 0.00 -0.29 -4.35 121.76 121.51 3jx6 s ALA 483 Ca 0.15 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 3jx6 s ALA 483 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3jx6 s ALA 483 CO 0.04 -2.31 -0.06 0.20 0.00 0.00 0.00 175.76 173.64 3jx6 s GLY 484 N -3.06 0.67 -0.11 0.00 0.00 -1.22 -1.03 107.32 102.56 3jx6 s GLY 484 Ca 0.64 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.05 3jx6 s GLY 484 CO 0.57 0.75 -0.21 -0.19 0.00 0.00 0.00 173.10 174.02 3jx6 s TYR 485 N 1.52 2.43 0.38 1.90 1.51 -0.54 -4.09 117.35 120.45 3jx6 s TYR 485 Ca -0.00 -1.11 -0.26 0.00 -1.01 0.00 0.00 57.07 54.69 3jx6 s TYR 485 Cb -0.13 -1.66 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 3jx6 s TYR 485 CO -0.05 -0.49 1.20 0.15 -1.11 0.00 0.00 175.55 175.26 3jx6 s LYS 486 N 0.64 4.13 0.09 -0.62 1.02 -1.26 -1.22 119.74 122.53 3jx6 s LYS 486 Ca -0.12 1.94 0.10 0.00 0.02 0.00 0.00 55.97 57.90 3jx6 s LYS 486 Cb -0.16 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3jx6 s LYS 486 CO 0.03 -0.28 -0.25 -0.65 -0.92 0.00 0.00 175.35 173.27 3jx6 s GLN 487 N -2.14 1.49 0.36 1.68 -0.21 -0.94 -4.90 119.66 115.00 3jx6 s GLN 487 Ca 0.55 -1.21 0.19 0.00 0.02 0.00 0.00 55.36 54.90 3jx6 s GLN 487 Cb -0.33 -1.82 1.26 0.00 1.00 0.00 0.00 33.01 33.11 3jx6 s GLN 487 CO 0.42 0.45 1.61 -1.35 -2.12 0.00 0.00 175.29 174.30 3jx6 h PRO 488 N 4.29 0.10 -0.99 2.91 0.11 -1.97 0.11 132.00 136.56 3jx6 h PRO 488 Ca -0.48 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.78 3jx6 h PRO 488 Cb 1.16 -0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 3jx6 h PRO 488 CO 0.41 0.06 -0.38 -3.47 -0.21 0.00 0.00 178.00 174.41 3jx6 n ASP 489 N -5.20 -0.63 0.00 -2.05 2.03 -1.26 -4.85 116.55 104.59 3jx6 n ASP 489 Ca 0.36 1.73 0.00 0.00 0.52 0.00 0.00 54.79 57.40 3jx6 n ASP 489 Cb 1.19 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 3jx6 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jx6 n GLY 490 N -1.48 1.93 3.90 0.27 0.00 0.40 -5.12 105.19 105.10 3jx6 n GLY 490 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3jx6 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx6 s SER 491 N -1.79 3.99 -0.10 1.61 1.04 -1.26 -4.84 113.70 112.36 3jx6 s SER 491 Ca 0.00 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.06 3jx6 s SER 491 Cb 0.00 -0.97 -0.02 0.00 0.10 0.00 0.00 66.02 65.12 3jx6 s SER 491 CO 0.00 -2.22 -0.11 -0.89 0.98 0.00 0.00 173.24 171.00 3jx6 s THR 492 N -3.66 3.26 -0.13 2.02 2.01 -1.26 -2.21 115.64 115.66 3jx6 s THR 492 Ca 0.66 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 3jx6 s THR 492 Cb -0.09 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3jx6 s THR 492 CO 0.50 0.56 0.09 -0.22 -0.69 0.00 0.00 174.62 174.86 3jx6 s LEU 493 N -0.21 4.05 0.00 4.42 2.96 -0.36 -4.98 118.68 124.57 3jx6 s LEU 493 Ca 0.01 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3jx6 s LEU 493 Cb -0.13 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3jx6 s LEU 493 CO 0.03 0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 3jx6 n GLY 494 N 2.53 -0.06 3.53 7.98 0.00 -1.26 -1.47 105.19 116.44 3jx6 n GLY 494 Ca -0.18 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3jx6 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx6 s ASP 495 N -4.00 6.35 0.46 1.61 -1.08 -0.20 -4.81 116.67 115.00 3jx6 s ASP 495 Ca 0.00 -0.21 0.13 0.00 -0.52 0.00 0.00 52.55 51.95 3jx6 s ASP 495 Cb 0.00 -2.32 1.04 0.00 -1.46 0.00 0.00 42.92 40.18 3jx6 s ASP 495 CO 0.00 -0.74 2.04 -0.65 0.52 0.00 0.00 175.17 176.34 3jx6 h PRO 496 N 8.78 0.10 0.00 4.34 0.11 -1.80 -2.11 132.00 141.42 3jx6 h PRO 496 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3jx6 h PRO 496 Cb 1.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx6 h PRO 496 CO 0.88 0.17 0.21 0.00 -0.21 0.00 0.00 178.00 179.06 3jx6 h ALA 497 N 1.85 1.18 -0.13 -0.75 0.00 -1.93 -2.63 119.26 116.84 3jx6 h ALA 497 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jx6 h ALA 497 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3jx6 h ALA 497 CO 0.01 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.17 3jx6 n ASN 498 N -2.52 2.81 0.03 0.00 3.02 -0.80 -4.78 115.26 113.02 3jx6 n ASN 498 Ca -0.02 -2.66 -0.02 0.00 -0.03 0.00 0.00 54.58 51.86 3jx6 n ASN 498 Cb 0.25 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3jx6 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx6 h VAL 499 N 0.85 0.00 -0.76 2.41 2.07 -1.58 -0.57 116.25 118.68 3jx6 h VAL 499 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3jx6 h VAL 499 Cb 0.98 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.63 3jx6 h VAL 499 CO 0.06 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 177.19 3jx6 h GLN 500 N -0.11 0.21 -0.51 1.57 4.15 -1.86 -0.28 115.11 118.29 3jx6 h GLN 500 Ca -0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 3jx6 h GLN 500 Cb 0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3jx6 h GLN 500 CO -0.02 0.14 0.09 0.35 -1.93 0.00 0.00 178.83 177.47 3jx6 h PHE 501 N 0.22 0.89 -0.94 3.99 3.57 -1.89 -0.80 116.94 121.98 3jx6 h PHE 501 Ca 0.44 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.87 3jx6 h PHE 501 Cb 0.78 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 3jx6 h PHE 501 CO -0.30 0.80 0.60 1.15 -2.23 0.00 0.00 178.31 178.33 3jx6 h THR 502 N 0.72 1.09 -0.21 4.41 2.02 0.45 -1.25 112.91 120.14 3jx6 h THR 502 Ca 0.16 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 3jx6 h THR 502 Cb 0.38 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3jx6 h THR 502 CO 0.01 0.20 -0.37 -0.33 0.37 0.00 0.00 175.52 175.40 3jx6 h GLU 503 N 1.10 0.47 -0.19 6.66 5.08 -0.65 -1.93 114.58 125.12 3jx6 h GLU 503 Ca 0.40 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3jx6 h GLU 503 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3jx6 h GLU 503 CO -0.16 0.77 -0.04 0.82 -1.00 0.00 0.00 179.01 179.40 3jx6 h ILE 504 N 0.39 1.15 -0.02 3.13 2.04 -0.54 -2.21 117.51 121.44 3jx6 h ILE 504 Ca 0.04 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3jx6 h ILE 504 Cb 0.83 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3jx6 h ILE 504 CO 0.07 0.19 -0.07 0.00 0.00 0.00 0.00 178.15 178.35 3jx6 h ILE 506 N -0.49 1.18 -0.15 0.00 2.04 -1.32 0.47 117.51 119.24 3jx6 h ILE 506 Ca -0.00 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3jx6 h ILE 506 Cb 0.68 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3jx6 h ILE 506 CO 0.01 0.19 -0.20 -0.61 0.00 0.00 0.00 178.15 177.55 3jx6 h GLN 507 N 0.78 0.25 -0.07 2.37 4.15 -1.48 -0.84 115.11 120.27 3jx6 h GLN 507 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3jx6 h GLN 507 Cb 0.02 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3jx6 h GLN 507 CO -0.04 0.45 0.00 1.04 -1.93 0.00 0.00 178.83 178.35 3jx6 n GLN 508 N -4.21 1.12 0.00 1.69 1.13 -0.48 -4.89 117.38 111.73 3jx6 n GLN 508 Ca -0.01 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 3jx6 n GLN 508 Cb 0.32 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.62 3jx6 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx6 n GLY 509 N 0.57 1.41 3.62 1.08 0.00 -0.32 -4.93 105.19 106.62 3jx6 n GLY 509 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 3jx6 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx6 n TRP 510 N -0.97 1.71 -2.87 1.61 -0.00 0.05 -4.91 117.44 112.05 3jx6 n TRP 510 Ca 0.00 0.57 -0.43 0.00 -0.00 0.00 0.00 57.50 57.64 3jx6 n TRP 510 Cb 0.00 -2.36 -0.04 0.00 -0.00 0.00 0.00 31.31 28.91 3jx6 n TRP 510 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 3jx6 s LYS 511 N -0.50 3.19 -0.08 5.87 2.36 -1.26 -4.54 119.74 124.78 3jx6 s LYS 511 Ca 0.70 -0.98 -0.30 0.00 -2.55 0.00 0.00 55.97 52.84 3jx6 s LYS 511 Cb -0.74 -4.35 -0.02 0.00 -1.05 0.00 0.00 37.83 31.67 3jx6 s LYS 511 CO 0.52 -1.82 1.02 0.00 1.55 0.00 0.00 175.35 176.62 3jx6 s ALA 512 N 3.87 3.37 0.27 3.13 0.00 -1.26 -4.95 121.76 126.18 3jx6 s ALA 512 Ca 0.24 0.43 0.14 0.00 0.00 0.00 0.00 51.96 52.77 3jx6 s ALA 512 Cb -0.15 -3.43 0.57 0.00 0.00 0.00 0.00 23.12 20.11 3jx6 s ALA 512 CO 0.07 -0.55 1.71 -1.00 0.00 0.00 0.00 175.76 175.99 3jx6 h PRO 513 N 7.07 0.00 -1.32 0.00 0.13 -1.99 -3.48 132.00 132.41 3jx6 h PRO 513 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 3jx6 h PRO 513 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3jx6 h PRO 513 CO 0.84 0.48 -0.08 0.54 -0.23 0.00 0.00 178.00 179.55 3jx6 n ARG 514 N -3.78 -0.78 -1.83 0.86 1.74 -1.26 -5.08 116.66 106.54 3jx6 n ARG 514 Ca -0.01 0.10 -0.05 0.00 -0.77 0.00 0.00 57.85 57.12 3jx6 n ARG 514 Cb 0.53 -3.07 0.00 0.00 -1.02 0.00 0.00 32.46 28.90 3jx6 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx6 n GLY 515 N -0.74 2.74 0.09 -0.13 0.00 -1.26 -5.07 105.19 100.82 3jx6 n GLY 515 Ca -0.01 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.88 3jx6 n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3jx6 n ARG 516 N -0.87 0.63 -2.60 1.61 0.63 -1.26 -4.27 116.66 110.52 3jx6 n ARG 516 Ca 0.00 0.10 -0.14 0.00 -0.92 0.00 0.00 57.85 56.90 3jx6 n ARG 516 Cb 0.12 -1.75 0.02 0.00 0.45 0.00 0.00 32.46 31.31 3jx6 n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3jx6 n PHE 517 N -2.70 1.86 -2.68 -0.14 3.01 -1.26 -4.27 117.46 111.28 3jx6 n PHE 517 Ca -0.07 -2.78 -0.43 0.00 1.01 0.00 0.00 57.45 55.18 3jx6 n PHE 517 Cb 0.71 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 3jx6 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx6 s ASP 518 N -3.33 6.97 -0.02 4.37 1.01 -1.26 -4.95 116.67 119.45 3jx6 s ASP 518 Ca 0.34 1.14 -0.30 0.00 0.71 0.00 0.00 52.55 54.44 3jx6 s ASP 518 Cb 0.43 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 3jx6 s ASP 518 CO -0.03 -0.76 1.36 -0.69 0.21 0.00 0.00 175.17 175.26 3jx6 s VAL 519 N 3.39 3.84 0.63 -1.27 1.01 -1.26 -1.14 120.40 125.60 3jx6 s VAL 519 Ca 0.43 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 3jx6 s VAL 519 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3jx6 s VAL 519 CO 0.11 -0.01 1.11 -0.76 0.00 0.00 0.00 175.10 175.55 3jx6 s LEU 520 N 2.49 3.46 0.72 3.92 1.43 0.87 -4.90 118.68 126.68 3jx6 s LEU 520 Ca 0.62 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3jx6 s LEU 520 Cb -0.30 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.40 3jx6 s LEU 520 CO 0.25 -1.50 1.09 -2.16 0.23 0.00 0.00 176.35 174.26 3jx6 s PRO 521 N -3.96 2.71 0.25 1.29 0.04 -1.26 -4.75 135.00 129.31 3jx6 s PRO 521 Ca 0.67 0.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.04 3jx6 s PRO 521 Cb -0.20 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3jx6 s PRO 521 CO 0.38 -1.17 0.84 -0.51 0.04 0.00 0.00 177.00 176.59 3jx6 s LEU 522 N -5.47 4.42 -0.33 -3.56 1.43 0.12 -4.89 118.68 110.39 3jx6 s LEU 522 Ca 0.59 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3jx6 s LEU 522 Cb -0.12 -3.69 0.08 0.00 0.03 0.00 0.00 46.19 42.48 3jx6 s LEU 522 CO 0.53 0.04 0.05 -0.22 0.23 0.00 0.00 176.35 176.98 3jx6 s LEU 523 N -1.77 4.38 -0.13 1.79 0.20 -1.26 -2.16 118.68 119.73 3jx6 s LEU 523 Ca 0.44 -1.69 -0.01 0.00 0.69 0.00 0.00 54.13 53.56 3jx6 s LEU 523 Cb -0.19 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.85 3jx6 s LEU 523 CO 0.24 -0.35 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.09 3jx6 s LEU 524 N 1.12 2.90 -0.15 -0.68 1.43 0.98 -1.27 118.68 123.00 3jx6 s LEU 524 Ca 0.01 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3jx6 s LEU 524 Cb -0.20 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3jx6 s LEU 524 CO -0.04 0.18 -0.14 -1.58 0.23 0.00 0.00 176.35 175.00 3jx6 s GLN 525 N 0.25 3.27 -0.08 1.70 0.74 -0.12 -0.35 119.66 125.06 3jx6 s GLN 525 Ca -0.07 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.64 3jx6 s GLN 525 Cb -0.15 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 3jx6 s GLN 525 CO 0.04 0.06 -0.16 0.00 -0.55 0.00 0.00 175.29 174.69 3jx6 s ALA 526 N 0.72 2.55 -1.43 1.58 0.00 -1.26 -1.63 121.76 122.28 3jx6 s ALA 526 Ca -0.06 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 3jx6 s ALA 526 Cb -0.15 -0.99 0.08 0.00 0.00 0.00 0.00 23.12 22.06 3jx6 s ALA 526 CO 0.02 0.42 0.67 -1.71 0.00 0.00 0.00 175.76 175.16 3jx6 n ASN 527 N 2.86 -4.20 -0.05 0.00 2.85 -1.21 0.23 115.26 115.73 3jx6 n ASN 527 Ca -0.18 -0.56 -0.01 0.00 -0.11 0.00 0.00 54.58 53.72 3jx6 n ASN 527 Cb 0.52 -3.43 -0.00 0.00 1.24 0.00 0.00 39.78 38.11 3jx6 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jx6 n GLY 528 N -1.37 0.35 3.92 8.20 0.00 0.38 -4.43 105.19 112.23 3jx6 n GLY 528 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3jx6 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx6 s ASN 529 N -2.07 4.17 0.32 1.61 0.01 0.14 -4.77 114.94 114.35 3jx6 s ASN 529 Ca 0.00 0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 52.36 3jx6 s ASN 529 Cb 0.00 -0.89 -0.11 0.00 0.41 0.00 0.00 41.25 40.66 3jx6 s ASN 529 CO 0.00 -2.07 1.46 -1.81 -1.51 0.00 0.00 177.10 173.17 3jx6 s ASP 530 N -4.66 6.51 0.39 -1.22 -0.00 -1.26 -4.37 116.67 112.06 3jx6 s ASP 530 Ca 0.65 2.87 -0.25 0.00 -0.00 0.00 0.00 52.55 55.82 3jx6 s ASP 530 Cb -0.09 -2.65 -0.09 0.00 -0.00 0.00 0.00 42.92 40.10 3jx6 s ASP 530 CO 0.49 -0.77 1.11 -2.16 -0.00 0.00 0.00 175.17 173.83 3jx6 s PRO 531 N -1.32 4.14 0.38 8.23 0.04 -1.26 -4.68 135.00 140.54 3jx6 s PRO 531 Ca 0.56 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.36 3jx6 s PRO 531 Cb -0.44 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 3jx6 s PRO 531 CO 0.53 -0.20 0.10 -1.21 0.04 0.00 0.00 177.00 176.26 3jx6 s GLU 532 N -2.32 2.15 -0.06 4.56 2.02 0.52 -4.84 118.70 120.74 3jx6 s GLU 532 Ca 0.56 -1.83 0.02 0.00 0.02 0.00 0.00 54.97 53.75 3jx6 s GLU 532 Cb -0.27 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 3jx6 s GLU 532 CO 0.34 -0.01 -0.12 -0.51 0.02 0.00 0.00 175.26 174.98 3jx6 s LEU 533 N -3.81 2.88 -0.01 1.80 1.43 -1.26 -0.01 118.68 119.70 3jx6 s LEU 533 Ca 0.38 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3jx6 s LEU 533 Cb 0.03 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3jx6 s LEU 533 CO 0.21 0.34 0.10 -0.36 0.23 0.00 0.00 176.35 176.87 3jx6 s PHE 534 N -0.70 0.03 -0.19 0.29 0.40 -0.92 -4.99 117.98 111.91 3jx6 s PHE 534 Ca 0.11 -0.08 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 3jx6 s PHE 534 Cb -0.11 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.33 3jx6 s PHE 534 CO 0.01 -0.21 0.37 -1.14 0.70 0.00 0.00 175.22 174.95 3jx6 s GLN 535 N -0.98 4.19 0.30 0.44 0.74 -1.26 0.12 119.66 123.21 3jx6 s GLN 535 Ca -0.11 0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.18 3jx6 s GLN 535 Cb -0.06 -3.51 -0.12 0.00 1.10 0.00 0.00 33.01 30.41 3jx6 s GLN 535 CO 0.01 0.03 1.42 -0.89 -0.55 0.00 0.00 175.29 175.30 3jx6 n ILE 536 N 4.17 1.47 -1.67 -2.34 5.41 -1.26 -4.88 119.36 120.26 3jx6 n ILE 536 Ca -0.09 -0.37 -0.50 0.00 1.00 0.00 0.00 62.75 62.79 3jx6 n ILE 536 Cb 0.51 -1.68 -0.05 0.00 -0.71 0.00 0.00 39.64 37.71 3jx6 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jx6 n PRO 537 N 1.33 1.80 -0.32 0.38 -0.02 -1.26 -4.84 135.00 132.08 3jx6 n PRO 537 Ca 0.07 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 3jx6 n PRO 537 Cb 0.35 -2.41 0.37 0.00 -0.02 0.00 0.00 33.50 31.79 3jx6 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx6 h PRO 538 N 7.00 0.67 0.00 0.52 0.11 -1.95 0.10 132.00 138.45 3jx6 h PRO 538 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jx6 h PRO 538 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3jx6 h PRO 538 CO 0.90 0.44 0.00 -0.85 -0.21 0.00 0.00 178.00 178.28 3jx6 n GLU 539 N -4.68 0.26 0.01 1.05 0.00 -1.26 -2.26 120.64 113.77 3jx6 n GLU 539 Ca 0.22 0.12 0.10 0.00 0.00 0.00 0.00 57.16 57.60 3jx6 n GLU 539 Cb 0.59 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.39 3jx6 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx6 n LEU 540 N -1.22 0.17 -4.47 -1.84 4.77 0.02 -4.75 117.00 109.68 3jx6 n LEU 540 Ca 0.08 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 3jx6 n LEU 540 Cb 0.10 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3jx6 n LEU 540 CO 0.10 -0.01 1.02 -0.69 -1.33 0.00 0.00 177.39 176.48 3jx6 s VAL 541 N -3.44 4.54 0.10 4.08 1.01 -0.96 -4.80 120.40 120.94 3jx6 s VAL 541 Ca -0.07 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 3jx6 s VAL 541 Cb 0.13 -4.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.62 3jx6 s VAL 541 CO 0.88 -1.57 1.45 -0.22 0.00 0.00 0.00 175.10 175.65 3jx6 s LEU 542 N 3.25 4.36 0.10 3.92 2.96 -1.26 -5.00 118.68 127.01 3jx6 s LEU 542 Ca 0.33 2.37 0.06 0.00 -0.22 0.00 0.00 54.13 56.67 3jx6 s LEU 542 Cb -0.06 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3jx6 s LEU 542 CO -0.06 -0.72 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.48 3jx6 s GLU 543 N 1.45 0.98 -0.17 1.98 2.02 -1.26 -1.22 118.70 122.48 3jx6 s GLU 543 Ca 0.66 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 54.54 3jx6 s GLU 543 Cb -0.38 -1.00 0.02 0.00 0.10 0.00 0.00 34.13 32.88 3jx6 s GLU 543 CO 0.30 0.21 -0.17 0.08 0.02 0.00 0.00 175.26 175.70 3jx6 s VAL 544 N -1.61 1.86 0.15 2.63 1.01 0.36 -4.91 120.40 119.90 3jx6 s VAL 544 Ca 0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3jx6 s VAL 544 Cb -0.08 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3jx6 s VAL 544 CO 0.03 0.50 1.23 -2.84 0.00 0.00 0.00 175.10 174.02 3jx6 s PRO 545 N 1.37 4.45 -0.33 2.72 0.02 -1.26 -1.14 135.00 140.83 3jx6 s PRO 545 Ca 0.05 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 3jx6 s PRO 545 Cb -0.13 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 3jx6 s PRO 545 CO -0.12 -0.18 0.35 0.42 -0.33 0.00 0.00 177.00 177.14 3jx6 s ILE 546 N 0.33 5.18 0.23 2.83 -1.09 0.12 -4.83 121.20 123.97 3jx6 s ILE 546 Ca 0.56 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.17 3jx6 s ILE 546 Cb -0.33 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3jx6 s ILE 546 CO 0.34 -0.05 -0.14 0.00 -1.23 0.00 0.00 174.94 173.87 3jx6 s ARG 547 N 2.01 1.43 -0.02 2.79 3.03 -1.26 -4.11 118.95 122.81 3jx6 s ARG 547 Ca 0.12 -1.66 0.02 0.00 2.03 0.00 0.00 55.73 56.25 3jx6 s ARG 547 Cb -0.16 -1.24 -0.03 0.00 -1.03 0.00 0.00 34.95 32.49 3jx6 s ARG 547 CO 0.11 0.18 -0.07 -1.58 -1.13 0.00 0.00 175.30 172.82 3jx6 s HIS 548 N -2.90 2.90 0.11 5.89 2.46 -1.26 -4.27 115.29 118.22 3jx6 s HIS 548 Ca 0.25 -0.02 0.24 0.00 0.47 0.00 0.00 55.06 56.00 3jx6 s HIS 548 Cb -0.01 -1.64 0.90 0.00 -0.13 0.00 0.00 32.58 31.71 3jx6 s HIS 548 CO 0.09 0.36 1.82 -1.00 -2.47 0.00 0.00 174.74 173.54 3jx6 h PRO 549 N 4.75 0.00 0.00 2.88 0.13 -1.93 -3.31 132.00 134.52 3jx6 h PRO 549 Ca -0.48 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.32 3jx6 h PRO 549 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3jx6 h PRO 549 CO 0.53 0.22 -2.17 1.63 -0.23 0.00 0.00 178.00 177.97 3jx6 n LYS 550 N -3.36 0.49 -2.67 0.86 5.02 -1.26 -4.91 118.16 112.33 3jx6 n LYS 550 Ca 0.00 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3jx6 n LYS 550 Cb 0.44 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 3jx6 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx6 s PHE 551 N -2.40 2.47 0.25 2.13 2.99 -1.25 -4.87 117.98 117.30 3jx6 s PHE 551 Ca -0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 56.93 56.43 3jx6 s PHE 551 Cb 0.08 -4.47 0.35 0.00 0.00 0.00 0.00 43.02 38.99 3jx6 s PHE 551 CO 0.44 -1.84 1.86 0.22 -0.00 0.00 0.00 175.22 175.90 3jx6 h ASP 552 N 9.79 0.90 0.14 1.36 3.58 -1.91 -2.83 116.42 127.45 3jx6 h ASP 552 Ca -0.28 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3jx6 h ASP 552 Cb 1.06 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.93 3jx6 h ASP 552 CO 1.23 0.58 0.00 4.11 -2.88 0.00 0.00 179.24 182.27 3jx6 h TRP 553 N 1.04 0.00 -0.52 0.28 5.08 -1.95 -3.30 115.95 116.59 3jx6 h TRP 553 Ca 0.39 0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.45 3jx6 h TRP 553 Cb 0.16 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.25 3jx6 h TRP 553 CO -0.02 0.00 0.11 0.35 -1.28 0.00 0.00 178.44 177.60 3jx6 h PHE 554 N 0.00 0.18 -1.20 0.12 3.57 -1.87 -1.64 116.94 116.09 3jx6 h PHE 554 Ca 0.00 0.03 0.34 0.00 3.53 0.00 0.00 57.97 61.88 3jx6 h PHE 554 Cb 0.07 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3jx6 h PHE 554 CO 0.00 -0.00 0.82 1.57 -2.23 0.00 0.00 178.31 178.47 3jx6 h LYS 555 N 0.25 0.15 0.00 1.11 2.10 -1.71 -1.58 116.57 116.88 3jx6 h LYS 555 Ca 0.26 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3jx6 h LYS 555 Cb 0.35 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3jx6 h LYS 555 CO -0.34 0.10 0.00 -0.25 -2.00 0.00 0.00 179.45 176.96 3jx6 n ASP 556 N -4.39 0.00 0.09 7.07 8.00 -0.62 -0.86 116.55 125.83 3jx6 n ASP 556 Ca 0.28 -0.43 0.13 0.00 0.71 0.00 0.00 54.79 55.48 3jx6 n ASP 556 Cb 1.19 -0.02 0.34 0.00 -0.02 0.00 0.00 41.12 42.61 3jx6 n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3jx6 n LEU 557 N -1.02 0.74 -3.52 0.64 4.77 -0.60 -4.96 117.00 113.06 3jx6 n LEU 557 Ca 0.11 0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 56.35 3jx6 n LEU 557 Cb 0.06 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3jx6 n LEU 557 CO 0.09 -0.13 0.14 0.61 -1.33 0.00 0.00 177.39 176.76 3jx6 n GLY 558 N 1.33 -0.42 3.83 -0.72 0.00 -0.04 -4.99 105.19 104.18 3jx6 n GLY 558 Ca 0.05 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3jx6 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx6 s LEU 559 N -6.71 4.46 0.04 0.99 1.43 -1.26 -5.02 118.68 112.60 3jx6 s LEU 559 Ca 0.20 0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 54.18 3jx6 s LEU 559 Cb -0.09 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3jx6 s LEU 559 CO 0.74 0.30 0.12 -1.59 0.23 0.00 0.00 176.35 176.15 3jx6 s LYS 560 N -0.95 0.61 0.10 1.70 -2.85 -1.26 -0.70 119.74 116.40 3jx6 s LYS 560 Ca 0.23 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.49 3jx6 s LYS 560 Cb -0.16 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 3jx6 s LYS 560 CO 0.13 -0.16 -0.06 -0.46 0.10 0.00 0.00 175.35 174.90 3jx6 s TRP 561 N -2.62 0.90 0.38 1.78 -0.11 -0.29 -4.95 118.94 114.03 3jx6 s TRP 561 Ca -0.05 -0.92 -0.11 0.00 1.22 0.00 0.00 56.10 56.24 3jx6 s TRP 561 Cb -0.01 -0.52 -0.07 0.00 -1.50 0.00 0.00 33.47 31.37 3jx6 s TRP 561 CO -0.05 -0.16 0.74 1.52 -4.62 0.00 0.00 176.95 174.39 3jx6 s TYR 562 N -3.63 3.45 0.12 5.86 -0.85 -1.26 0.14 117.35 121.17 3jx6 s TYR 562 Ca 0.12 1.04 0.00 0.00 -0.52 0.00 0.00 57.07 57.71 3jx6 s TYR 562 Cb 0.05 -2.43 -0.17 0.00 0.38 0.00 0.00 41.96 39.80 3jx6 s TYR 562 CO -0.04 -0.05 1.26 0.78 -1.52 0.00 0.00 175.55 175.98 3jx6 h GLY 563 N 1.47 0.23 -7.44 5.49 0.00 -1.51 -3.45 103.07 97.85 3jx6 h GLY 563 Ca -0.47 -0.51 -0.70 0.00 0.00 0.00 0.00 47.33 45.64 3jx6 h GLY 563 CO 0.64 0.45 -0.32 -2.27 0.00 0.00 0.00 176.54 175.04 3jx6 s LEU 564 N -7.20 4.94 -0.24 3.11 2.96 -1.26 -4.56 118.68 116.43 3jx6 s LEU 564 Ca -0.03 -0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 52.89 3jx6 s LEU 564 Cb 0.09 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 3jx6 s LEU 564 CO 0.85 -0.50 0.84 -2.16 -1.32 0.00 0.00 176.35 174.06 3jx6 s PRO 565 N 1.92 4.19 -0.30 0.98 0.04 -1.26 -4.70 135.00 135.87 3jx6 s PRO 565 Ca 0.09 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 3jx6 s PRO 565 Cb -0.18 -3.64 0.10 0.00 0.04 0.00 0.00 34.50 30.82 3jx6 s PRO 565 CO 0.12 -0.52 0.13 0.00 0.04 0.00 0.00 177.00 176.77 3jx6 s ALA 566 N 2.83 0.82 0.02 8.56 0.00 -1.26 -3.23 121.76 129.50 3jx6 s ALA 566 Ca 0.36 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 3jx6 s ALA 566 Cb -0.15 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3jx6 s ALA 566 CO 0.07 -1.69 1.22 0.08 0.00 0.00 0.00 175.76 175.45 3jx6 s VAL 567 N 1.92 4.07 0.00 0.00 1.01 0.26 -0.68 120.40 126.99 3jx6 s VAL 567 Ca 0.10 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3jx6 s VAL 567 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3jx6 s VAL 567 CO -0.32 0.06 0.25 -1.54 0.00 0.00 0.00 175.10 173.55 3jx6 n SER 568 N 4.51 0.50 -0.87 3.32 3.41 -0.25 -1.35 113.62 122.90 3jx6 n SER 568 Ca 0.10 -0.76 0.09 0.00 -0.26 0.00 0.00 58.87 58.04 3jx6 n SER 568 Cb 0.46 0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.94 3jx6 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx6 n ASN 569 N -0.38 2.95 -4.97 4.04 2.04 -1.22 -4.47 115.26 113.25 3jx6 n ASN 569 Ca 0.00 -1.86 -0.21 0.00 -0.44 0.00 0.00 54.58 52.07 3jx6 n ASN 569 Cb 0.02 -0.17 0.04 0.00 -2.53 0.00 0.00 39.78 37.14 3jx6 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jx6 s MET 570 N -1.29 2.55 -0.15 -3.83 -1.94 -1.26 -4.41 119.30 108.97 3jx6 s MET 570 Ca 0.29 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.44 3jx6 s MET 570 Cb 0.17 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.51 3jx6 s MET 570 CO 0.24 -0.68 -0.20 -1.17 -0.01 0.00 0.00 175.02 173.20 3jx6 s LEU 571 N -4.73 2.04 -0.18 -0.03 0.20 0.01 -4.33 118.68 111.67 3jx6 s LEU 571 Ca 0.57 -0.59 -0.22 0.00 0.69 0.00 0.00 54.13 54.58 3jx6 s LEU 571 Cb -0.10 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 3jx6 s LEU 571 CO 0.38 0.03 0.68 -0.22 -0.29 0.00 0.00 176.35 176.93 3jx6 s LEU 572 N 1.08 4.17 -0.24 -0.68 2.96 0.49 -0.73 118.68 125.73 3jx6 s LEU 572 Ca -0.01 0.94 -0.05 0.00 -0.22 0.00 0.00 54.13 54.79 3jx6 s LEU 572 Cb -0.14 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 3jx6 s LEU 572 CO -0.07 -0.28 0.01 -0.70 -1.32 0.00 0.00 176.35 173.98 3jx6 s GLU 573 N 1.85 3.41 -0.12 1.98 2.12 -0.47 0.08 118.70 127.55 3jx6 s GLU 573 Ca 0.32 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 3jx6 s GLU 573 Cb -0.16 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.11 3jx6 s GLU 573 CO 0.11 -0.23 -0.08 0.42 -0.54 0.00 0.00 175.26 174.94 3jx6 s ILE 574 N 1.52 1.06 -1.52 -3.70 1.01 -0.23 -2.14 121.20 117.21 3jx6 s ILE 574 Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 3jx6 s ILE 574 Cb -0.15 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.32 3jx6 s ILE 574 CO -0.01 0.37 1.00 0.61 0.00 0.00 0.00 174.94 176.92 3jx6 n GLY 575 N 4.93 -0.50 2.37 6.18 0.00 -1.26 -0.77 105.19 116.14 3jx6 n GLY 575 Ca -0.13 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3jx6 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx6 n GLY 576 N -1.72 2.37 3.81 -0.02 0.00 -1.26 -3.49 105.19 104.88 3jx6 n GLY 576 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3jx6 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx6 s LEU 577 N 0.00 4.47 -0.21 0.99 1.43 0.05 -5.03 118.68 120.38 3jx6 s LEU 577 Ca 0.00 1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 3jx6 s LEU 577 Cb 0.00 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 43.00 3jx6 s LEU 577 CO 0.00 0.17 -0.10 -1.61 0.23 0.00 0.00 176.35 175.04 3jx6 s GLU 578 N -1.46 3.13 -0.33 1.70 2.02 -1.26 -1.06 118.70 121.44 3jx6 s GLU 578 Ca 0.35 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 3jx6 s GLU 578 Cb -0.19 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 3jx6 s GLU 578 CO 0.21 -0.24 0.22 -0.06 0.02 0.00 0.00 175.26 175.41 3jx6 s PHE 579 N 1.38 3.22 -0.13 1.61 0.40 0.11 -0.07 117.98 124.50 3jx6 s PHE 579 Ca 0.04 -0.31 0.20 0.00 -0.60 0.00 0.00 56.93 56.26 3jx6 s PHE 579 Cb -0.14 -2.44 -0.18 0.00 0.51 0.00 0.00 43.02 40.76 3jx6 s PHE 579 CO -0.07 -0.39 0.67 -1.13 0.70 0.00 0.00 175.22 175.01 3jx6 n SER 580 N 5.07 0.49 -4.16 1.36 3.41 -1.26 -0.38 113.62 118.14 3jx6 n SER 580 Ca -0.13 0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 3jx6 n SER 580 Cb 0.50 0.89 -0.14 0.00 -0.26 0.00 0.00 64.21 65.20 3jx6 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx6 s ALA 581 N -3.15 2.77 -0.39 7.33 0.00 -1.17 -4.61 121.76 122.53 3jx6 s ALA 581 Ca -0.05 -1.72 0.11 0.00 0.00 0.00 0.00 51.96 50.30 3jx6 s ALA 581 Cb 0.10 -1.86 0.36 0.00 0.00 0.00 0.00 23.12 21.72 3jx6 s ALA 581 CO 0.84 -1.21 0.94 0.00 0.00 0.00 0.00 175.76 176.33 3jx6 n PRO 583 N 0.19 2.12 -4.04 0.00 -0.04 -1.15 -4.57 135.00 127.50 3jx6 n PRO 583 Ca 0.15 0.74 -0.08 0.00 -0.04 0.00 0.00 63.50 64.27 3jx6 n PRO 583 Cb 0.71 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 3jx6 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx6 s PHE 584 N -1.11 0.42 0.04 0.54 -0.12 -0.45 -0.63 117.98 116.67 3jx6 s PHE 584 Ca 0.56 -0.89 -0.18 0.00 -0.05 0.00 0.00 56.93 56.36 3jx6 s PHE 584 Cb -0.56 -0.31 0.04 0.00 -0.63 0.00 0.00 43.02 41.55 3jx6 s PHE 584 CO 0.62 -0.35 0.42 -1.54 -0.05 0.00 0.00 175.22 174.32 3jx6 s SER 585 N -2.56 -0.30 0.00 1.98 1.04 0.25 -0.57 113.70 113.54 3jx6 s SER 585 Ca 0.01 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3jx6 s SER 585 Cb 0.04 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3jx6 s SER 585 CO -0.08 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3jx6 n GLY 586 N 0.54 3.21 3.50 7.32 0.00 -1.20 -1.68 105.19 116.88 3jx6 n GLY 586 Ca -0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3jx6 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx6 s TRP 587 N 2.13 0.01 0.31 1.61 -2.14 -1.26 -4.58 118.94 115.02 3jx6 s TRP 587 Ca 0.00 -0.36 -0.27 0.00 2.66 0.00 0.00 56.10 58.13 3jx6 s TRP 587 Cb 0.00 0.30 -0.10 0.00 -3.10 0.00 0.00 33.47 30.57 3jx6 s TRP 587 CO 0.00 -0.89 0.96 0.71 -2.66 0.00 0.00 176.95 175.07 3jx6 s TYR 588 N -3.90 3.71 -0.13 1.66 4.12 -1.26 -4.93 117.35 116.62 3jx6 s TYR 588 Ca 0.12 1.79 -0.13 0.00 0.02 0.00 0.00 57.07 58.87 3jx6 s TYR 588 Cb -0.00 -2.98 -0.05 0.00 -1.52 0.00 0.00 41.96 37.41 3jx6 s TYR 588 CO -0.01 0.13 0.29 1.41 0.02 0.00 0.00 175.55 177.39 3jx6 s MET 589 N -1.87 4.09 0.25 -0.62 -2.45 -1.26 -1.51 119.30 115.93 3jx6 s MET 589 Ca 0.49 0.11 -0.13 0.00 -1.25 0.00 0.00 55.69 54.91 3jx6 s MET 589 Cb -0.21 -3.36 0.34 0.00 1.25 0.00 0.00 34.83 32.85 3jx6 s MET 589 CO 0.27 0.39 1.57 0.78 1.05 0.00 0.00 175.02 179.07 3jx6 h GLY 590 N 6.12 0.42 1.66 2.11 0.00 -1.19 -0.44 103.07 111.75 3jx6 h GLY 590 Ca -0.45 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3jx6 h GLY 590 CO 0.71 -0.30 0.13 -0.91 0.00 0.00 0.00 176.54 176.18 3jx6 h THR 591 N -0.01 0.51 -0.47 4.70 1.35 -1.94 -1.58 112.91 115.47 3jx6 h THR 591 Ca 0.40 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.33 3jx6 h THR 591 Cb 0.65 0.89 -0.06 0.00 -1.73 0.00 0.00 68.15 67.90 3jx6 h THR 591 CO -0.95 0.00 0.15 -0.33 -0.25 0.00 0.00 175.52 174.14 3jx6 h GLU 592 N 0.00 0.30 0.00 4.72 5.08 -1.48 -0.00 114.58 123.20 3jx6 h GLU 592 Ca 0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3jx6 h GLU 592 Cb 0.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3jx6 h GLU 592 CO -0.00 0.20 -0.37 0.82 -1.00 0.00 0.00 179.01 178.67 3jx6 h ILE 593 N 0.31 1.11 -0.44 3.13 2.04 -1.48 -2.03 117.51 120.15 3jx6 h ILE 593 Ca 0.23 -1.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 3jx6 h ILE 593 Cb 0.25 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3jx6 h ILE 593 CO -0.25 0.38 0.01 1.23 0.00 0.00 0.00 178.15 179.52 3jx6 h GLY 594 N -1.00 0.84 0.00 5.37 0.00 -1.34 -0.39 103.07 106.55 3jx6 h GLY 594 Ca -0.09 -0.61 -0.20 0.00 0.00 0.00 0.00 47.33 46.43 3jx6 h GLY 594 CO -0.05 0.56 -1.21 -0.62 0.00 0.00 0.00 176.54 175.22 3jx6 n VAL 595 N -4.40 1.51 -0.04 4.60 0.31 -0.06 -4.06 118.33 116.18 3jx6 n VAL 595 Ca -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3jx6 n VAL 595 Cb 0.29 -2.11 -0.00 0.00 -0.91 0.00 0.00 33.84 31.11 3jx6 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jx6 h ARG 596 N -1.00 0.00 -0.20 5.55 2.47 -1.41 -2.74 114.38 117.05 3jx6 h ARG 596 Ca -0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 3jx6 h ARG 596 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 3jx6 h ARG 596 CO -0.18 0.00 0.10 -0.91 0.56 0.00 0.00 179.97 179.54 3jx6 h ASN 597 N -0.87 0.24 0.33 7.04 2.35 -1.13 -2.37 115.58 121.16 3jx6 h ASN 597 Ca 0.00 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.52 3jx6 h ASN 597 Cb 0.02 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3jx6 h ASN 597 CO 0.00 0.21 -1.87 -1.22 -1.65 0.00 0.00 177.43 172.90 3jx6 n TYR 598 N -4.47 0.49 -0.01 1.19 0.53 -0.18 -2.34 117.16 112.37 3jx6 n TYR 598 Ca 0.00 0.17 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 3jx6 n TYR 598 Cb 0.10 -0.97 -0.05 0.00 -1.03 0.00 0.00 39.34 37.40 3jx6 n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3jx6 n ASP 600 N -1.94 1.71 -0.32 0.00 9.92 -0.90 -4.55 116.55 120.48 3jx6 n ASP 600 Ca -0.05 1.12 0.14 0.00 -0.53 0.00 0.00 54.79 55.47 3jx6 n ASP 600 Cb 0.40 -1.21 0.38 0.00 -0.64 0.00 0.00 41.12 40.04 3jx6 n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jx6 h ASN 601 N 4.46 0.68 0.47 -2.24 -0.73 -1.93 0.29 115.58 116.57 3jx6 h ASN 601 Ca -0.47 0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.77 3jx6 h ASN 601 Cb 1.33 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.87 3jx6 h ASN 601 CO 0.77 0.27 -0.07 -1.54 -0.37 0.00 0.00 177.43 176.49 3jx6 n SER 602 N -4.65 0.25 0.00 1.15 3.41 -1.26 -4.68 113.62 107.84 3jx6 n SER 602 Ca 0.21 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3jx6 n SER 602 Cb 0.58 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3jx6 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx6 n ARG 603 N -1.13 0.58 0.18 4.33 5.12 0.08 -4.11 116.66 121.71 3jx6 n ARG 603 Ca 0.14 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.19 3jx6 n ARG 603 Cb 0.26 0.00 0.35 0.00 -1.16 0.00 0.00 32.46 31.92 3jx6 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx6 h TYR 604 N 0.00 0.00 -6.25 -1.55 -1.99 -1.59 -3.41 116.97 102.18 3jx6 h TYR 604 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3jx6 h TYR 604 Cb 0.00 0.00 0.08 0.00 2.00 0.00 0.00 36.73 38.81 3jx6 h TYR 604 CO 0.00 0.00 -0.91 -1.71 -0.00 0.00 0.00 178.16 175.54 3jx6 n ASN 605 N -2.71 -5.37 -0.77 3.88 4.05 -0.54 -4.92 115.26 108.88 3jx6 n ASN 605 Ca 0.04 -0.99 0.08 0.00 0.45 0.00 0.00 54.58 54.16 3jx6 n ASN 605 Cb 0.43 -3.29 0.13 0.00 1.23 0.00 0.00 39.78 38.28 3jx6 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx6 n ILE 606 N -4.06 0.35 0.20 -1.44 -5.35 -0.05 -4.61 119.36 104.40 3jx6 n ILE 606 Ca -0.10 -0.68 -0.16 0.00 -0.27 0.00 0.00 62.75 61.54 3jx6 n ILE 606 Cb 0.59 1.05 -0.09 0.00 -1.74 0.00 0.00 39.64 39.45 3jx6 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx6 h LEU 607 N 3.21 -1.30 -0.66 7.28 3.38 -1.87 -1.72 115.31 123.63 3jx6 h LEU 607 Ca 0.00 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.23 3jx6 h LEU 607 Cb 0.75 0.46 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 3jx6 h LEU 607 CO 0.00 -0.57 -0.13 -0.33 0.09 0.00 0.00 178.44 177.50 3jx6 h GLU 608 N -0.82 0.02 -0.60 1.13 5.08 -1.99 -0.69 114.58 116.72 3jx6 h GLU 608 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3jx6 h GLU 608 Cb 0.76 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3jx6 h GLU 608 CO -0.15 0.01 0.36 0.93 -1.00 0.00 0.00 179.01 179.16 3jx6 h GLU 609 N 0.02 0.81 -0.15 2.33 5.08 -1.75 -2.14 114.58 118.79 3jx6 h GLU 609 Ca 0.33 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3jx6 h GLU 609 Cb 0.51 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3jx6 h GLU 609 CO -0.66 0.59 -0.23 0.28 -1.00 0.00 0.00 179.01 177.99 3jx6 h VAL 610 N 0.81 1.36 -0.92 3.13 2.07 -0.58 -2.90 116.25 119.22 3jx6 h VAL 610 Ca 0.21 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.36 3jx6 h VAL 610 Cb -0.01 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 3jx6 h VAL 610 CO -0.04 0.43 0.57 0.00 0.02 0.00 0.00 177.57 178.55 3jx6 h ALA 611 N 0.57 1.30 0.00 1.67 0.00 -1.05 -0.40 119.26 121.36 3jx6 h ALA 611 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3jx6 h ALA 611 Cb 0.80 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3jx6 h ALA 611 CO 0.05 0.28 -0.10 0.87 0.00 0.00 0.00 179.25 180.35 3jx6 h LYS 612 N 0.99 0.00 0.00 0.00 1.57 -1.30 -1.90 116.57 115.94 3jx6 h LYS 612 Ca 0.42 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.05 3jx6 h LYS 612 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3jx6 h LYS 612 CO -0.21 0.10 -0.73 0.87 -0.57 0.00 0.00 179.45 178.92 3jx6 h LYS 613 N 0.00 0.00 0.00 3.15 1.79 -0.89 -3.19 116.57 117.43 3jx6 h LYS 613 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3jx6 h LYS 613 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3jx6 h LYS 613 CO 0.01 0.70 -0.20 -1.33 -1.08 0.00 0.00 179.45 177.56 3jx6 n MET 614 N -3.27 0.18 -3.54 3.15 2.81 -0.82 -4.96 117.12 110.67 3jx6 n MET 614 Ca 0.01 0.11 -0.20 0.00 -1.81 0.00 0.00 57.70 55.82 3jx6 n MET 614 Cb 0.82 -1.68 0.07 0.00 -0.71 0.00 0.00 33.22 31.73 3jx6 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx6 n ASP 615 N -1.98 -2.50 -4.90 7.83 2.03 -0.78 -5.01 116.55 111.24 3jx6 n ASP 615 Ca 0.05 -0.67 -0.28 0.00 0.52 0.00 0.00 54.79 54.41 3jx6 n ASP 615 Cb 0.40 -4.79 -0.02 0.00 -0.72 0.00 0.00 41.12 35.99 3jx6 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx6 s LEU 616 N -6.61 3.94 -0.70 -2.67 1.43 -1.16 -5.01 118.68 107.90 3jx6 s LEU 616 Ca 0.11 0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 53.75 3jx6 s LEU 616 Cb -0.05 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3jx6 s LEU 616 CO 0.76 -0.31 1.42 -0.62 0.23 0.00 0.00 176.35 177.83 3jx6 s ASP 617 N -3.40 5.95 -0.05 2.29 -1.08 -1.26 -4.82 116.67 114.31 3jx6 s ASP 617 Ca 0.46 -0.23 0.14 0.00 -0.52 0.00 0.00 52.55 52.40 3jx6 s ASP 617 Cb -0.10 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.28 3jx6 s ASP 617 CO 0.33 -1.96 1.36 0.23 0.52 0.00 0.00 175.17 175.65 3jx6 n MET 618 N 9.29 2.57 0.22 4.34 2.81 -1.26 -4.24 117.12 130.85 3jx6 n MET 618 Ca 0.08 -1.88 0.11 0.00 -1.81 0.00 0.00 57.70 54.19 3jx6 n MET 618 Cb 0.50 -1.57 0.39 0.00 -0.71 0.00 0.00 33.22 31.83 3jx6 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx6 h ARG 619 N 2.84 0.00 -3.29 0.03 3.08 -2.04 -3.45 114.38 111.55 3jx6 h ARG 619 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3jx6 h ARG 619 Cb 0.90 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.70 3jx6 h ARG 619 CO 0.09 0.19 -0.48 0.15 -1.07 0.00 0.00 179.97 178.85 3jx6 s LYS 620 N -3.48 0.29 0.43 0.04 1.02 -1.26 -5.04 119.74 111.74 3jx6 s LYS 620 Ca 0.02 0.14 0.09 0.00 0.02 0.00 0.00 55.97 56.25 3jx6 s LYS 620 Cb 0.09 0.13 0.95 0.00 -0.52 0.00 0.00 37.83 38.48 3jx6 s LYS 620 CO 0.64 -0.05 2.08 1.79 -0.92 0.00 0.00 175.35 178.89 3jx6 h THR 621 N 4.71 1.08 0.00 2.17 1.35 -1.91 -2.91 112.91 117.40 3jx6 h THR 621 Ca -0.26 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3jx6 h THR 621 Cb 1.20 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3jx6 h THR 621 CO 0.39 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 174.20 3jx6 n SER 622 N -4.49 0.00 -0.19 5.36 3.41 -1.26 -1.34 113.62 115.11 3jx6 n SER 622 Ca 0.02 -0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.58 3jx6 n SER 622 Cb 0.07 -0.12 0.44 0.00 -0.26 0.00 0.00 64.21 64.34 3jx6 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx6 n SER 623 N -1.12 0.83 -3.28 4.04 3.41 -1.10 -4.94 113.62 111.46 3jx6 n SER 623 Ca 0.08 -0.75 -0.24 0.00 -0.26 0.00 0.00 58.87 57.70 3jx6 n SER 623 Cb 0.07 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 3jx6 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx6 n LEU 624 N -0.78 -2.70 -0.12 1.04 4.77 -0.45 -4.90 117.00 113.85 3jx6 n LEU 624 Ca 0.12 -0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 55.65 3jx6 n LEU 624 Cb 0.33 -2.85 0.14 0.00 -2.33 0.00 0.00 43.42 38.70 3jx6 n LEU 624 CO 0.26 0.34 0.86 4.11 -1.33 0.00 0.00 177.39 181.63 3jx6 h TRP 625 N -1.72 0.90 -0.54 -1.77 5.08 -1.84 0.47 115.95 116.52 3jx6 h TRP 625 Ca -0.53 -0.13 0.03 0.00 1.08 0.00 0.00 58.89 59.34 3jx6 h TRP 625 Cb 1.36 -0.24 -0.04 0.00 -3.00 0.00 0.00 29.16 27.24 3jx6 h TRP 625 CO 0.54 0.83 0.31 0.87 -1.28 0.00 0.00 178.44 179.71 3jx6 h LYS 626 N 0.78 0.59 -0.12 0.12 1.57 -1.90 -1.51 116.57 116.09 3jx6 h LYS 626 Ca 0.15 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 3jx6 h LYS 626 Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3jx6 h LYS 626 CO 0.02 0.39 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.36 3jx6 h ASP 627 N 0.61 0.35 0.26 0.86 5.19 -1.74 0.08 116.42 122.02 3jx6 h ASP 627 Ca 0.23 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3jx6 h ASP 627 Cb 0.07 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3jx6 h ASP 627 CO -0.12 0.79 -0.12 1.56 -3.12 0.00 0.00 179.24 178.22 3jx6 h GLN 628 N 0.25 -0.33 -0.24 3.56 4.20 -0.63 -2.46 115.11 119.46 3jx6 h GLN 628 Ca 0.01 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3jx6 h GLN 628 Cb 0.96 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3jx6 h GLN 628 CO 0.08 -0.01 0.03 0.00 -0.67 0.00 0.00 178.83 178.26 3jx6 h ALA 629 N -0.06 1.61 -0.40 3.87 0.00 -1.23 -2.58 119.26 120.46 3jx6 h ALA 629 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3jx6 h ALA 629 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3jx6 h ALA 629 CO 0.06 0.29 0.24 1.25 0.00 0.00 0.00 179.25 181.09 3jx6 h LEU 630 N 0.34 0.40 -0.50 0.00 5.85 -0.83 -1.37 115.31 119.20 3jx6 h LEU 630 Ca 0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3jx6 h LEU 630 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3jx6 h LEU 630 CO 0.00 0.29 0.23 0.58 -0.34 0.00 0.00 178.44 179.20 3jx6 h VAL 631 N 0.49 1.20 -0.17 1.05 2.07 -1.04 -2.63 116.25 117.21 3jx6 h VAL 631 Ca 0.16 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3jx6 h VAL 631 Cb -0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3jx6 h VAL 631 CO -0.06 0.22 -0.45 -0.33 0.02 0.00 0.00 177.57 176.97 3jx6 h GLU 632 N 0.66 0.43 -0.26 1.57 4.39 -1.33 -0.01 114.58 120.03 3jx6 h GLU 632 Ca 0.17 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3jx6 h GLU 632 Cb 0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3jx6 h GLU 632 CO -0.02 0.80 0.10 0.82 -1.16 0.00 0.00 179.01 179.55 3jx6 h ILE 633 N 0.35 1.11 0.00 3.13 2.04 -1.10 -1.56 117.51 121.48 3jx6 h ILE 633 Ca 0.02 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3jx6 h ILE 633 Cb 0.93 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3jx6 h ILE 633 CO 0.08 0.13 -0.67 0.78 0.00 0.00 0.00 178.15 178.47 3jx6 h ASN 634 N 0.37 0.00 -0.30 1.72 2.35 -0.91 -2.53 115.58 116.27 3jx6 h ASN 634 Ca 0.09 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3jx6 h ASN 634 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3jx6 h ASN 634 CO -0.01 0.34 -0.33 0.40 -1.65 0.00 0.00 177.43 176.18 3jx6 h ILE 635 N 0.00 1.28 -0.20 2.81 2.04 -0.39 -2.75 117.51 120.30 3jx6 h ILE 635 Ca -0.04 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.21 3jx6 h ILE 635 Cb 1.29 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3jx6 h ILE 635 CO 0.04 0.50 -0.33 0.00 0.00 0.00 0.00 178.15 178.35 3jx6 h ALA 636 N 0.93 0.30 0.43 1.87 0.00 -1.25 0.28 119.26 121.83 3jx6 h ALA 636 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3jx6 h ALA 636 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3jx6 h ALA 636 CO 0.08 0.35 -0.43 0.28 0.00 0.00 0.00 179.25 179.53 3jx6 h VAL 637 N 0.24 0.14 -0.76 0.00 2.07 -1.50 -0.13 116.25 116.31 3jx6 h VAL 637 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3jx6 h VAL 637 Cb 0.92 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3jx6 h VAL 637 CO 0.08 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 178.00 3jx6 h LEU 638 N -0.87 0.55 -0.40 2.57 3.38 -1.47 -2.25 115.31 116.82 3jx6 h LEU 638 Ca -0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3jx6 h LEU 638 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3jx6 h LEU 638 CO -0.06 0.31 -0.28 0.22 0.09 0.00 0.00 178.44 178.72 3jx6 h TYR 639 N 0.68 1.05 -0.13 1.13 3.20 -0.69 -2.01 116.97 120.20 3jx6 h TYR 639 Ca 0.37 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3jx6 h TYR 639 Cb 0.38 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3jx6 h TYR 639 CO -0.09 1.09 0.06 0.77 -1.64 0.00 0.00 178.16 178.35 3jx6 h SER 640 N 0.71 0.16 -0.30 -2.11 0.02 -0.83 -0.67 113.55 110.53 3jx6 h SER 640 Ca 0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3jx6 h SER 640 Cb 0.86 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3jx6 h SER 640 CO 0.08 0.23 0.20 -0.26 -1.14 0.00 0.00 176.83 175.94 3jx6 h PHE 641 N 0.08 0.38 -0.82 3.45 -1.00 -1.36 -2.47 116.94 115.21 3jx6 h PHE 641 Ca 0.04 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 3jx6 h PHE 641 Cb 0.11 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 3jx6 h PHE 641 CO -0.03 0.25 0.41 1.96 -1.61 0.00 0.00 178.31 179.28 3jx6 h GLN 642 N 0.41 1.18 0.00 1.51 4.20 -1.30 -1.29 115.11 119.81 3jx6 h GLN 642 Ca 0.11 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3jx6 h GLN 642 Cb -0.04 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.52 3jx6 h GLN 642 CO -0.02 0.90 -0.11 0.77 -0.67 0.00 0.00 178.83 179.70 3jx6 h SER 643 N 1.17 0.00 -0.17 1.46 0.02 -0.85 -1.15 113.55 114.02 3jx6 h SER 643 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3jx6 h SER 643 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3jx6 h SER 643 CO -0.04 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.23 3jx6 n ASP 644 N -3.91 3.16 -2.92 3.07 8.00 -0.95 -4.97 116.55 118.02 3jx6 n ASP 644 Ca -0.02 -1.98 -0.21 0.00 0.71 0.00 0.00 54.79 53.28 3jx6 n ASP 644 Cb 0.20 -0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3jx6 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx6 n LYS 645 N 1.38 -4.98 -3.48 -1.24 5.02 -0.44 -4.97 118.16 109.46 3jx6 n LYS 645 Ca 0.16 0.86 -0.37 0.00 -2.02 0.00 0.00 58.31 56.93 3jx6 n LYS 645 Cb 0.59 -5.64 -0.07 0.00 -0.02 0.00 0.00 35.03 29.89 3jx6 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx6 s VAL 646 N -3.17 5.26 0.11 -0.18 1.01 -0.66 -4.23 120.40 118.55 3jx6 s VAL 646 Ca 0.32 0.59 -0.34 0.00 0.00 0.00 0.00 61.98 62.54 3jx6 s VAL 646 Cb -0.14 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 3jx6 s VAL 646 CO 0.39 0.32 1.59 0.41 0.00 0.00 0.00 175.10 177.81 3jx6 n THR 647 N 3.99 0.09 -3.73 3.92 -1.04 0.20 -4.31 114.28 113.39 3jx6 n THR 647 Ca -0.11 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.75 3jx6 n THR 647 Cb 0.52 -1.47 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 3jx6 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx6 s ILE 648 N 1.33 0.02 -0.00 12.58 2.07 -1.26 -4.42 121.20 131.53 3jx6 s ILE 648 Ca 0.82 -0.21 0.07 0.00 -1.41 0.00 0.00 60.65 59.93 3jx6 s ILE 648 Cb -0.73 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 3jx6 s ILE 648 CO 0.42 -0.11 -0.23 0.54 -1.91 0.00 0.00 174.94 173.64 3jx6 s VAL 649 N -0.55 2.32 0.56 4.00 0.11 -0.57 -4.98 120.40 121.29 3jx6 s VAL 649 Ca -0.07 -1.11 -0.06 0.00 -2.93 0.00 0.00 61.98 57.81 3jx6 s VAL 649 Cb -0.04 -1.86 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 3jx6 s VAL 649 CO 0.03 0.51 0.87 1.51 -3.33 0.00 0.00 175.10 174.69 3jx6 s ASP 650 N -0.85 5.84 0.52 3.54 -4.77 -1.26 -0.60 116.67 119.08 3jx6 s ASP 650 Ca 0.11 0.82 0.31 0.00 -3.30 0.00 0.00 52.55 50.49 3jx6 s ASP 650 Cb -0.10 -1.92 1.17 0.00 -1.09 0.00 0.00 42.92 40.98 3jx6 s ASP 650 CO 0.01 -0.90 1.91 1.12 0.70 0.00 0.00 175.17 178.01 3jx6 h HIS 651 N -0.06 0.00 -0.23 2.11 2.07 -1.98 0.12 115.15 117.18 3jx6 h HIS 651 Ca -0.46 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 56.86 3jx6 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jx6 h HIS 651 CO 0.52 0.05 -0.63 0.45 -3.07 0.00 0.00 177.93 175.25 3jx6 h HIS 652 N 0.00 1.08 0.18 6.12 3.86 -1.97 -2.89 115.15 121.54 3jx6 h HIS 652 Ca -0.00 -0.42 -0.25 0.00 -1.16 0.00 0.00 60.37 58.54 3jx6 h HIS 652 Cb 0.61 -0.19 0.03 0.00 1.06 0.00 0.00 27.41 28.92 3jx6 h HIS 652 CO 0.00 1.25 -1.09 1.03 0.86 0.00 0.00 177.93 179.98 3jx6 h SER 653 N 0.60 0.61 -0.36 2.45 0.87 -1.82 -2.13 113.55 113.77 3jx6 h SER 653 Ca -0.01 -0.94 0.07 0.00 -1.23 0.00 0.00 61.79 59.68 3jx6 h SER 653 Cb 1.25 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 3jx6 h SER 653 CO 0.14 1.52 -0.05 0.00 -0.53 0.00 0.00 176.83 177.91 3jx6 h ALA 654 N 0.10 0.28 -0.26 6.23 0.00 -0.88 -1.64 119.26 123.10 3jx6 h ALA 654 Ca -0.19 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3jx6 h ALA 654 Cb 1.85 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 3jx6 h ALA 654 CO 0.20 -0.43 -0.55 1.79 0.00 0.00 0.00 179.25 180.25 3jx6 h THR 655 N 0.04 1.29 -0.52 0.00 1.35 -1.59 -1.71 112.91 111.77 3jx6 h THR 655 Ca 0.18 -1.75 0.09 0.00 -0.55 0.00 0.00 66.41 64.38 3jx6 h THR 655 Cb 0.26 1.67 -0.07 0.00 -1.73 0.00 0.00 68.15 68.28 3jx6 h THR 655 CO -0.34 0.56 0.09 -0.08 -0.25 0.00 0.00 175.52 175.51 3jx6 h GLU 656 N 0.60 0.22 -0.84 4.72 4.81 -1.19 -0.06 114.58 122.83 3jx6 h GLU 656 Ca 0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3jx6 h GLU 656 Cb 1.14 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 3jx6 h GLU 656 CO 0.12 0.14 0.40 0.77 -0.73 0.00 0.00 179.01 179.71 3jx6 h SER 657 N 0.22 1.09 -0.58 1.04 0.02 -1.16 -2.59 113.55 111.60 3jx6 h SER 657 Ca 0.26 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3jx6 h SER 657 Cb 0.37 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3jx6 h SER 657 CO -0.35 0.92 0.02 0.15 -1.14 0.00 0.00 176.83 176.43 3jx6 h PHE 658 N 1.19 1.10 -0.65 3.45 3.57 -0.69 -1.64 116.94 123.27 3jx6 h PHE 658 Ca 0.29 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3jx6 h PHE 658 Cb 0.12 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3jx6 h PHE 658 CO 0.01 0.98 0.36 0.82 -2.23 0.00 0.00 178.31 178.25 3jx6 h ILE 659 N 0.90 0.96 -0.57 1.41 1.08 -0.76 0.18 117.51 120.72 3jx6 h ILE 659 Ca 0.17 -0.23 -0.06 0.00 -0.39 0.00 0.00 64.86 64.35 3jx6 h ILE 659 Cb 0.53 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3jx6 h ILE 659 CO 0.03 0.12 0.13 0.50 -0.69 0.00 0.00 178.15 178.24 3jx6 h LYS 660 N 0.66 0.89 -0.13 2.37 3.64 -1.31 -2.16 116.57 120.53 3jx6 h LYS 660 Ca 0.29 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3jx6 h LYS 660 Cb 0.18 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3jx6 h LYS 660 CO -0.18 0.80 -0.17 1.25 -2.27 0.00 0.00 179.45 178.88 3jx6 h HIS 661 N 0.85 0.42 -0.46 1.91 2.76 -0.76 -2.07 115.15 117.80 3jx6 h HIS 661 Ca 0.18 -0.14 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3jx6 h HIS 661 Cb 0.32 -0.09 -0.10 0.00 1.55 0.00 0.00 27.41 29.09 3jx6 h HIS 661 CO 0.02 0.77 -0.27 1.98 -1.30 0.00 0.00 177.93 179.13 3jx6 h MET 662 N -0.05 -0.17 -0.49 5.26 4.05 -0.52 0.12 114.93 123.14 3jx6 h MET 662 Ca 0.02 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3jx6 h MET 662 Cb 0.71 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.50 3jx6 h MET 662 CO 0.04 -0.11 0.18 0.93 0.23 0.00 0.00 176.91 178.18 3jx6 h GLU 663 N -0.17 0.34 -0.51 0.39 5.08 -1.30 -0.10 114.58 118.31 3jx6 h GLU 663 Ca 0.21 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3jx6 h GLU 663 Cb 0.50 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3jx6 h GLU 663 CO -0.56 0.23 0.20 -0.91 -1.00 0.00 0.00 179.01 176.96 3jx6 h ASN 664 N 0.35 0.21 -0.38 1.42 2.35 -0.80 -1.98 115.58 116.76 3jx6 h ASN 664 Ca 0.23 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 3jx6 h ASN 664 Cb 0.24 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3jx6 h ASN 664 CO -0.24 0.15 0.04 -0.33 -1.65 0.00 0.00 177.43 175.40 3jx6 h GLU 665 N 0.38 0.73 -0.08 0.81 4.39 0.20 -0.04 114.58 120.97 3jx6 h GLU 665 Ca 0.25 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 3jx6 h GLU 665 Cb 0.25 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3jx6 h GLU 665 CO -0.24 0.72 -0.44 1.88 -1.16 0.00 0.00 179.01 179.76 3jx6 h TYR 666 N 0.69 0.22 0.13 4.33 -1.99 -0.74 0.81 116.97 120.42 3jx6 h TYR 666 Ca 0.14 -0.06 -0.28 0.00 2.00 0.00 0.00 58.73 60.53 3jx6 h TYR 666 Cb 0.37 -0.05 0.01 0.00 2.00 0.00 0.00 36.73 39.07 3jx6 h TYR 666 CO 0.02 0.60 -1.24 -0.09 -0.00 0.00 0.00 178.16 177.45 3jx6 h ARG 667 N 0.15 0.37 0.00 4.88 2.43 -0.92 -3.07 114.38 118.23 3jx6 h ARG 667 Ca 0.01 -0.58 -0.12 0.00 -0.81 0.00 0.00 59.98 58.48 3jx6 h ARG 667 Cb 0.85 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3jx6 h ARG 667 CO 0.07 1.26 -1.71 0.00 -1.51 0.00 0.00 179.97 178.07 3jx6 n ARG 669 N -2.22 1.41 -0.59 0.00 0.63 0.11 -5.03 116.66 110.96 3jx6 n ARG 669 Ca -0.12 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3jx6 n ARG 669 Cb 0.64 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.64 3jx6 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx6 n GLY 670 N 2.17 0.66 0.00 5.14 0.00 -0.22 -4.67 105.19 108.27 3jx6 n GLY 670 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3jx6 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx6 n GLY 671 N -2.59 0.64 3.20 -0.02 0.00 -0.87 -0.36 105.19 105.18 3jx6 n GLY 671 Ca 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 3jx6 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx6 s PRO 673 N 2.76 4.45 -0.17 0.00 0.04 -1.26 -4.60 135.00 136.22 3jx6 s PRO 673 Ca 0.12 1.99 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 3jx6 s PRO 673 Cb -0.14 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.26 3jx6 s PRO 673 CO -0.18 -0.14 0.41 0.00 0.04 0.00 0.00 177.00 177.13 3jx6 s ALA 674 N -0.26 -1.04 -0.80 8.56 0.00 -0.62 -4.25 121.76 123.34 3jx6 s ALA 674 Ca 0.53 1.47 -0.13 0.00 0.00 0.00 0.00 51.96 53.82 3jx6 s ALA 674 Cb -0.35 -0.89 0.21 0.00 0.00 0.00 0.00 23.12 22.09 3jx6 s ALA 674 CO 0.40 -0.25 0.74 0.34 0.00 0.00 0.00 175.76 176.98 3jx6 s ASP 675 N 1.22 6.65 0.31 0.00 3.68 0.47 -3.57 116.67 125.43 3jx6 s ASP 675 Ca -0.08 -2.66 0.08 0.00 2.13 0.00 0.00 52.55 52.03 3jx6 s ASP 675 Cb -0.08 -2.19 0.85 0.00 -1.45 0.00 0.00 42.92 40.06 3jx6 s ASP 675 CO -0.11 -0.58 1.73 -0.25 0.13 0.00 0.00 175.17 176.10 3jx6 h TRP 676 N 7.79 0.97 -0.60 -5.34 7.01 -1.91 0.12 115.95 124.00 3jx6 h TRP 676 Ca 0.08 0.04 0.16 0.00 2.11 0.00 0.00 58.89 61.27 3jx6 h TRP 676 Cb 1.04 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 3jx6 h TRP 676 CO 1.00 0.06 0.42 0.28 -2.79 0.00 0.00 178.44 177.42 3jx6 h VAL 677 N 0.57 0.75 0.00 2.65 2.07 -1.92 -2.13 116.25 118.23 3jx6 h VAL 677 Ca 0.63 -0.04 -0.32 0.00 0.82 0.00 0.00 66.70 67.80 3jx6 h VAL 677 Cb 1.18 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3jx6 h VAL 677 CO -0.48 0.02 -2.24 0.79 0.02 0.00 0.00 177.57 175.68 3jx6 n TRP 678 N -4.40 0.00 -0.05 1.57 7.02 0.33 -4.51 117.44 117.40 3jx6 n TRP 678 Ca 0.11 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.44 3jx6 n TRP 678 Cb 0.60 -0.88 -0.06 0.00 -2.42 0.00 0.00 31.31 28.54 3jx6 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx6 h ILE 679 N 0.00 1.31 -2.68 -0.99 1.08 -0.91 -3.43 117.51 111.89 3jx6 h ILE 679 Ca -0.47 -1.77 -0.54 0.00 -0.39 0.00 0.00 64.86 61.69 3jx6 h ILE 679 Cb 2.06 1.89 -0.00 0.00 -3.07 0.00 0.00 36.82 37.70 3jx6 h ILE 679 CO 0.03 0.56 1.02 -0.69 -0.69 0.00 0.00 178.15 178.37 3jx6 s VAL 680 N -3.94 3.48 0.61 1.67 1.01 -0.84 -4.92 120.40 117.48 3jx6 s VAL 680 Ca -0.12 0.73 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 3jx6 s VAL 680 Cb 0.08 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3jx6 s VAL 680 CO 0.86 -0.04 1.13 -2.65 0.00 0.00 0.00 175.10 174.41 3jx6 n PRO 681 N 6.47 1.07 0.00 2.72 -0.02 -1.26 -4.91 135.00 139.07 3jx6 n PRO 681 Ca 0.16 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3jx6 n PRO 681 Cb 0.42 -2.35 0.56 0.00 -0.02 0.00 0.00 33.50 32.12 3jx6 n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jx6 n PRO 682 N -1.34 0.36 -4.30 0.52 -0.04 -1.26 -4.21 135.00 124.73 3jx6 n PRO 682 Ca 0.14 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 3jx6 n PRO 682 Cb 0.47 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 3jx6 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx6 s MET 683 N -2.50 1.19 -1.82 0.54 0.23 -1.26 -4.89 119.30 110.78 3jx6 s MET 683 Ca 0.22 -1.33 0.00 0.00 -1.03 0.00 0.00 55.69 53.56 3jx6 s MET 683 Cb 0.15 -1.24 0.00 0.00 -1.53 0.00 0.00 34.83 32.21 3jx6 s MET 683 CO 0.32 0.26 0.00 0.43 -2.03 0.00 0.00 175.02 174.00 3jx6 n SER 684 N 0.48 -5.75 -0.24 -1.18 7.64 -1.26 -4.88 113.62 108.43 3jx6 n SER 684 Ca -0.15 0.08 -0.06 0.00 1.01 0.00 0.00 58.87 59.75 3jx6 n SER 684 Cb 0.56 -4.84 -0.06 0.00 -1.01 0.00 0.00 64.21 58.87 3jx6 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx6 n GLY 685 N -0.90 -1.89 0.00 0.23 0.00 -1.26 -1.69 105.19 99.68 3jx6 n GLY 685 Ca -0.24 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.66 3jx6 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx6 n SER 686 N -4.48 0.00 -0.50 1.61 3.41 -1.26 -2.38 113.62 110.02 3jx6 n SER 686 Ca 0.01 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.46 3jx6 n SER 686 Cb 0.15 -0.20 0.24 0.00 -0.26 0.00 0.00 64.21 64.14 3jx6 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx6 n ILE 687 N -1.20 0.00 -3.68 -1.33 -5.35 -0.68 -4.83 119.36 102.30 3jx6 n ILE 687 Ca 0.14 -0.26 -0.34 0.00 -0.27 0.00 0.00 62.75 62.02 3jx6 n ILE 687 Cb 0.16 0.89 -0.05 0.00 -1.74 0.00 0.00 39.64 38.90 3jx6 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx6 s THR 688 N -2.30 5.20 0.34 7.28 -4.23 -1.00 -5.03 115.64 115.90 3jx6 s THR 688 Ca 0.26 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 3jx6 s THR 688 Cb 0.19 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 70.51 3jx6 s THR 688 CO 0.46 0.27 1.80 1.55 -0.54 0.00 0.00 174.62 178.16 3jx6 h PRO 689 N 3.66 0.21 -0.81 3.99 0.13 -1.88 -3.04 132.00 134.26 3jx6 h PRO 689 Ca -0.49 -0.08 0.14 0.00 -0.87 0.00 0.00 66.00 64.70 3jx6 h PRO 689 Cb 1.19 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3jx6 h PRO 689 CO 0.68 0.50 0.53 -0.39 -0.23 0.00 0.00 178.00 179.09 3jx6 h VAL 690 N 0.19 0.83 -0.85 1.56 -1.51 -1.89 -0.88 116.25 113.70 3jx6 h VAL 690 Ca 0.03 -0.20 0.17 0.00 -1.23 0.00 0.00 66.70 65.47 3jx6 h VAL 690 Cb 0.63 0.21 -0.10 0.00 -2.13 0.00 0.00 31.29 29.90 3jx6 h VAL 690 CO 0.05 0.10 0.41 0.15 -1.23 0.00 0.00 177.57 177.05 3jx6 h PHE 691 N 0.57 0.70 -0.01 5.19 3.57 -1.73 -0.77 116.94 124.47 3jx6 h PHE 691 Ca 0.40 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.94 3jx6 h PHE 691 Cb 0.74 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3jx6 h PHE 691 CO -0.00 0.10 -0.02 0.72 -2.23 0.00 0.00 178.31 176.88 3jx6 n HIS 692 N -4.94 0.00 -3.18 0.41 8.25 -0.34 -4.80 115.22 110.61 3jx6 n HIS 692 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.21 3jx6 n HIS 692 Cb 0.49 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 3jx6 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx6 s GLN 693 N -2.10 3.18 0.33 -0.41 2.00 -0.30 -1.30 119.66 121.07 3jx6 s GLN 693 Ca 0.41 -0.63 -0.28 0.00 -2.00 0.00 0.00 55.36 52.85 3jx6 s GLN 693 Cb 0.21 -4.00 -0.12 0.00 0.80 0.00 0.00 33.01 29.90 3jx6 s GLN 693 CO 0.38 -1.03 1.34 0.39 -0.50 0.00 0.00 175.29 175.87 3jx6 n GLU 694 N 6.05 2.22 -4.14 1.67 1.02 -0.88 -4.99 120.64 121.58 3jx6 n GLU 694 Ca -0.05 0.78 -0.15 0.00 -0.02 0.00 0.00 57.16 57.72 3jx6 n GLU 694 Cb 0.47 -2.39 -0.12 0.00 -0.02 0.00 0.00 31.44 29.37 3jx6 n GLU 694 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3jx6 s MET 695 N -1.71 0.63 -0.19 3.49 -1.94 -1.26 -4.69 119.30 113.64 3jx6 s MET 695 Ca 0.57 -0.72 -0.05 0.00 -1.71 0.00 0.00 55.69 53.77 3jx6 s MET 695 Cb -0.56 -0.51 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 3jx6 s MET 695 CO 0.61 0.11 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.21 3jx6 s LEU 696 N -1.36 3.27 -0.14 -0.03 1.43 -1.26 -4.91 118.68 115.68 3jx6 s LEU 696 Ca -0.05 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3jx6 s LEU 696 Cb -0.09 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3jx6 s LEU 696 CO 0.01 0.10 0.02 0.21 0.23 0.00 0.00 176.35 176.91 3jx6 s ASN 697 N 0.81 5.28 0.13 2.29 3.04 -1.23 -1.60 114.94 123.65 3jx6 s ASN 697 Ca 0.00 0.05 -0.24 0.00 0.04 0.00 0.00 52.86 52.70 3jx6 s ASN 697 Cb -0.14 -1.77 0.07 0.00 -1.54 0.00 0.00 41.25 37.87 3jx6 s ASN 697 CO 0.02 0.24 0.69 -0.72 -3.04 0.00 0.00 177.10 174.29 3jx6 s TYR 698 N -0.04 -0.46 -0.31 0.43 -0.85 -1.26 -4.95 117.35 109.90 3jx6 s TYR 698 Ca 0.04 0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.74 3jx6 s TYR 698 Cb -0.13 0.57 -0.00 0.00 0.38 0.00 0.00 41.96 42.78 3jx6 s TYR 698 CO 0.02 -0.80 0.14 1.03 -1.52 0.00 0.00 175.55 174.42 3jx6 s ARG 699 N -3.59 3.24 0.30 -3.49 0.52 -1.26 -4.82 118.95 109.84 3jx6 s ARG 699 Ca 0.03 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3jx6 s ARG 699 Cb -0.01 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 3jx6 s ARG 699 CO -0.10 -0.45 0.19 -0.51 0.02 0.00 0.00 175.30 174.45 3jx6 s LEU 700 N 1.58 3.55 0.14 2.53 1.43 -1.26 -2.46 118.68 124.18 3jx6 s LEU 700 Ca 0.04 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3jx6 s LEU 700 Cb -0.17 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3jx6 s LEU 700 CO 0.05 -0.18 -0.21 0.28 0.23 0.00 0.00 176.35 176.52 3jx6 s THR 701 N -2.27 1.91 0.61 5.49 -1.32 -1.26 -4.23 115.64 114.56 3jx6 s THR 701 Ca 0.36 -1.74 -0.18 0.00 -1.21 0.00 0.00 61.69 58.92 3jx6 s THR 701 Cb -0.06 -1.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.11 3jx6 s THR 701 CO 0.24 -0.12 0.93 -2.65 -2.21 0.00 0.00 174.62 170.81 3jx6 n PRO 702 N 0.73 0.84 -3.81 7.08 -0.02 -1.26 -5.01 135.00 133.55 3jx6 n PRO 702 Ca -0.17 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3jx6 n PRO 702 Cb 0.55 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 3jx6 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx6 s SER 703 N -1.27 0.01 -0.18 2.55 1.04 -0.91 -3.86 113.70 111.08 3jx6 s SER 703 Ca 0.76 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 3jx6 s SER 703 Cb -0.41 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 3jx6 s SER 703 CO 0.47 -0.66 0.18 -0.36 0.98 0.00 0.00 173.24 173.85 3jx6 s PHE 704 N -3.15 3.44 0.23 5.02 0.40 -1.26 -1.37 117.98 121.29 3jx6 s PHE 704 Ca -0.01 0.43 0.12 0.00 -0.60 0.00 0.00 56.93 56.87 3jx6 s PHE 704 Cb 0.01 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 3jx6 s PHE 704 CO -0.07 0.31 -0.22 -1.21 0.70 0.00 0.00 175.22 174.72 3jx6 s GLU 705 N 0.29 1.57 0.68 0.44 0.41 0.09 -4.93 118.70 117.25 3jx6 s GLU 705 Ca 0.11 -1.62 -0.11 0.00 -0.41 0.00 0.00 54.97 52.94 3jx6 s GLU 705 Cb -0.12 -1.79 -0.00 0.00 -1.78 0.00 0.00 34.13 30.44 3jx6 s GLU 705 CO 0.00 0.37 1.05 0.00 -0.49 0.00 0.00 175.26 176.19 3jx6 s ALA 706 N -2.03 2.81 0.02 5.21 0.00 -1.26 -0.81 121.76 125.69 3jx6 s ALA 706 Ca 0.24 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 3jx6 s ALA 706 Cb -0.07 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.96 3jx6 s ALA 706 CO 0.12 -1.07 0.43 1.14 0.00 0.00 0.00 175.76 176.38 3jx6 s GLN 707 N -5.11 0.88 0.29 0.00 -2.07 -1.26 -4.80 119.66 107.60 3jx6 s GLN 707 Ca 0.57 -0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.59 3jx6 s GLN 707 Cb -0.13 0.40 -0.12 0.00 -1.09 0.00 0.00 33.01 32.07 3jx6 s GLN 707 CO 0.55 -0.29 1.51 -2.30 -1.32 0.00 0.00 175.29 173.44 3jx6 n PRO 708 N 0.75 2.46 -1.59 9.60 -0.02 -1.26 -4.89 135.00 140.06 3jx6 n PRO 708 Ca -0.19 0.87 -0.49 0.00 -2.02 0.00 0.00 63.50 61.67 3jx6 n PRO 708 Cb 0.58 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 3jx6 n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jx6 n ASP 709 N 1.93 1.52 0.29 2.55 8.00 -1.26 -4.84 116.55 124.75 3jx6 n ASP 709 Ca 0.09 1.14 0.16 0.00 0.71 0.00 0.00 54.79 56.88 3jx6 n ASP 709 Cb 0.35 -1.23 0.87 0.00 -0.02 0.00 0.00 41.12 41.09 3jx6 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx6 h PRO 710 N 3.71 0.00 0.00 -0.24 0.13 -1.91 -2.77 132.00 130.93 3jx6 h PRO 710 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 3jx6 h PRO 710 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 3jx6 h PRO 710 CO 0.72 0.06 -0.52 0.11 -0.23 0.00 0.00 178.00 178.14 3jx6 h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.89 0.42 115.95 116.13 3jx6 h TRP 711 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 3jx6 h TRP 711 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.46 3jx6 h TRP 711 CO 0.00 0.52 -0.10 -0.91 0.09 0.00 0.00 178.44 178.04 3jx6 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.87 -3.38 115.58 112.79 3jx6 h ASN 712 Ca -0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3jx6 h ASN 712 Cb 1.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3jx6 h ASN 712 CO 0.07 0.10 -1.28 0.35 -1.65 0.00 0.00 177.43 175.02 3jx6 n THR 713 N -3.48 0.27 -1.76 2.81 -2.24 -1.02 -5.04 114.28 103.83 3jx6 n THR 713 Ca -0.01 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3jx6 n THR 713 Cb 0.25 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 3jx6 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3jx6 n HIS 714 N -3.13 2.81 -4.83 4.78 -0.00 0.11 -5.04 115.22 109.92 3jx6 n HIS 714 Ca -0.10 0.46 -0.30 0.00 -0.00 0.00 0.00 57.72 57.78 3jx6 n HIS 714 Cb 0.57 -2.49 -0.14 0.00 -0.00 0.00 0.00 29.99 27.93 3jx6 n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jx6 s VAL 715 N -1.14 2.31 -2.64 3.57 -7.23 -1.26 -4.88 120.40 109.13 3jx6 s VAL 715 Ca 0.56 -1.35 0.27 0.00 -1.81 0.00 0.00 61.98 59.64 3jx6 s VAL 715 Cb -0.48 -1.92 0.45 0.00 0.56 0.00 0.00 36.38 34.99 3jx6 s VAL 715 CO 0.62 0.35 1.61 0.79 -0.31 0.00 0.00 175.10 178.16