#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx2 s PHE 300 N 0.00 3.07 0.01 -0.14 0.40 -1.26 -4.83 117.98 115.22 3jx2 s PHE 300 Ca 0.00 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3jx2 s PHE 300 Cb 0.00 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3jx2 s PHE 300 CO 0.00 -0.26 -0.18 -0.51 0.70 0.00 0.00 175.22 174.97 3jx2 s LEU 301 N 1.17 2.58 -0.06 -0.37 1.43 -0.94 -4.94 118.68 117.56 3jx2 s LEU 301 Ca 0.03 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3jx2 s LEU 301 Cb -0.14 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3jx2 s LEU 301 CO 0.02 0.29 0.11 -0.54 0.23 0.00 0.00 176.35 176.46 3jx2 s LYS 302 N -1.16 3.28 -0.03 1.70 1.02 -1.26 0.15 119.74 123.44 3jx2 s LYS 302 Ca 0.13 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.87 3jx2 s LYS 302 Cb -0.10 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3jx2 s LYS 302 CO 0.03 0.71 -0.18 0.14 -0.92 0.00 0.00 175.35 175.14 3jx2 s VAL 303 N -1.11 1.47 -0.01 3.17 -7.23 0.55 -4.94 120.40 112.30 3jx2 s VAL 303 Ca 0.19 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 3jx2 s VAL 303 Cb -0.12 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 3jx2 s VAL 303 CO 0.09 0.42 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.39 3jx2 s LYS 304 N -0.16 2.29 -0.23 4.82 2.20 -1.26 -0.13 119.74 127.27 3jx2 s LYS 304 Ca 0.01 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.63 3jx2 s LYS 304 Cb -0.10 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 3jx2 s LYS 304 CO 0.01 0.58 0.37 1.21 -0.36 0.00 0.00 175.35 177.16 3jx2 s ASN 305 N -1.06 6.35 0.00 1.43 3.84 -0.27 -1.35 114.94 123.88 3jx2 s ASN 305 Ca 0.13 0.40 0.28 0.00 0.21 0.00 0.00 52.86 53.88 3jx2 s ASN 305 Cb -0.11 -2.21 1.02 0.00 -0.55 0.00 0.00 41.25 39.40 3jx2 s ASN 305 CO 0.03 -0.10 1.76 0.79 -2.79 0.00 0.00 177.10 176.79 3jx2 n TRP 306 N 4.73 0.00 -0.02 0.43 7.02 -0.01 -0.64 117.44 128.96 3jx2 n TRP 306 Ca -0.09 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.22 3jx2 n TRP 306 Cb 0.51 -0.35 -0.14 0.00 -2.42 0.00 0.00 31.31 28.91 3jx2 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx2 n GLU 307 N -1.39 0.71 0.00 -0.99 2.13 -1.26 -4.54 120.64 115.31 3jx2 n GLU 307 Ca 0.08 0.25 0.06 0.00 0.66 0.00 0.00 57.16 58.21 3jx2 n GLU 307 Cb 0.32 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 3jx2 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx2 n THR 308 N -3.32 0.00 -0.51 6.31 -2.24 -1.22 -4.99 114.28 108.31 3jx2 n THR 308 Ca -0.30 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3jx2 n THR 308 Cb 1.05 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 3jx2 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx2 n ASP 309 N -1.13 0.00 -4.69 3.42 8.00 0.19 -4.96 116.55 117.38 3jx2 n ASP 309 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3jx2 n ASP 309 Cb 0.22 -2.33 -0.03 0.00 -0.02 0.00 0.00 41.12 38.96 3jx2 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jx2 s VAL 310 N -1.16 2.63 -0.11 2.53 1.01 -1.25 -4.73 120.40 119.31 3jx2 s VAL 310 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3jx2 s VAL 310 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3jx2 s VAL 310 CO 0.00 -0.00 -0.06 -0.69 0.00 0.00 0.00 175.10 174.34 3jx2 s VAL 311 N 2.92 3.69 0.03 2.92 1.01 -1.26 -1.11 120.40 128.60 3jx2 s VAL 311 Ca 0.81 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.43 3jx2 s VAL 311 Cb -0.45 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3jx2 s VAL 311 CO 0.37 0.54 -0.26 -0.76 0.00 0.00 0.00 175.10 174.99 3jx2 s LEU 312 N -0.14 2.15 -0.23 3.92 1.43 0.81 -4.96 118.68 121.66 3jx2 s LEU 312 Ca 0.02 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 3jx2 s LEU 312 Cb -0.13 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3jx2 s LEU 312 CO 0.03 0.27 0.12 -0.89 0.23 0.00 0.00 176.35 176.10 3jx2 s THR 313 N -0.77 5.03 -0.25 5.49 2.01 -1.26 -0.33 115.64 125.56 3jx2 s THR 313 Ca 0.11 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 3jx2 s THR 313 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3jx2 s THR 313 CO 0.02 0.37 0.23 -0.62 -0.69 0.00 0.00 174.62 173.92 3jx2 s ASP 314 N 1.00 6.16 -0.00 3.53 -1.08 0.40 -4.68 116.67 122.00 3jx2 s ASP 314 Ca 0.06 0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.30 3jx2 s ASP 314 Cb -0.14 -2.14 -0.07 0.00 -1.46 0.00 0.00 42.92 39.11 3jx2 s ASP 314 CO 0.04 -0.01 0.14 0.35 0.52 0.00 0.00 175.17 176.20 3jx2 n THR 315 N 4.56 0.00 0.23 1.71 -2.24 -0.20 -2.21 114.28 116.13 3jx2 n THR 315 Ca -0.13 -0.19 0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3jx2 n THR 315 Cb 0.52 0.56 0.52 0.00 -2.10 0.00 0.00 70.33 69.83 3jx2 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx2 h LEU 316 N 0.00 0.00 -2.37 3.22 5.85 -1.73 -3.01 115.31 117.27 3jx2 h LEU 316 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jx2 h LEU 316 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3jx2 h LEU 316 CO 0.00 0.23 -0.00 1.12 -0.34 0.00 0.00 178.44 179.45 3jx2 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.86 -2.27 115.15 114.35 3jx2 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx2 h HIS 317 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3jx2 h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jx2 n LEU 318 N -3.98 0.10 0.02 6.12 4.77 -1.14 -1.24 117.00 121.65 3jx2 n LEU 318 Ca -0.03 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 3jx2 n LEU 318 Cb 0.09 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 40.96 3jx2 n LEU 318 CO 0.29 -0.25 0.51 0.29 -1.33 0.00 0.00 177.39 176.90 3jx2 n LYS 319 N -1.60 0.10 -1.70 3.23 5.02 -0.85 -4.95 118.16 117.40 3jx2 n LYS 319 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 3jx2 n LYS 319 Cb 0.21 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 3jx2 n LYS 319 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3jx2 n SER 320 N -1.72 2.47 -0.00 4.39 3.41 -0.37 -4.95 113.62 116.85 3jx2 n SER 320 Ca 0.05 1.09 -0.02 0.00 -0.26 0.00 0.00 58.87 59.73 3jx2 n SER 320 Cb 0.37 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 62.82 3jx2 n SER 320 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3jx2 n THR 321 N -0.28 0.79 -1.16 6.66 -1.04 -1.20 -5.04 114.28 113.01 3jx2 n THR 321 Ca 0.07 0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 62.00 3jx2 n THR 321 Cb 0.40 -1.62 0.12 0.00 -1.82 0.00 0.00 70.33 67.41 3jx2 n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3jx2 n LEU 322 N -3.32 4.11 -4.90 -4.42 4.77 -1.26 -5.02 117.00 106.97 3jx2 n LEU 322 Ca -0.03 0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 56.26 3jx2 n LEU 322 Cb 0.13 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 39.72 3jx2 n LEU 322 CO 0.05 -1.82 0.38 -1.61 -1.33 0.00 0.00 177.39 173.07 3jx2 s GLU 323 N -3.91 3.64 0.06 3.23 2.02 -1.26 -4.57 118.70 117.91 3jx2 s GLU 323 Ca 0.73 0.23 0.21 0.00 0.02 0.00 0.00 54.97 56.16 3jx2 s GLU 323 Cb -0.30 -2.45 -0.17 0.00 0.10 0.00 0.00 34.13 31.31 3jx2 s GLU 323 CO 0.51 -0.05 0.71 0.25 0.02 0.00 0.00 175.26 176.71 3jx2 n THR 324 N -1.63 0.52 0.00 3.63 -2.24 -1.26 -4.93 114.28 108.36 3jx2 n THR 324 Ca 0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3jx2 n THR 324 Cb 0.55 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3jx2 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jx2 n GLY 325 N 1.29 3.09 3.88 3.38 0.00 -1.26 -4.87 105.19 110.69 3jx2 n GLY 325 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3jx2 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx2 n THR 327 N -2.91 0.00 0.21 0.00 -2.24 -0.07 -4.98 114.28 104.29 3jx2 n THR 327 Ca 0.06 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 3jx2 n THR 327 Cb 0.56 0.13 0.44 0.00 -2.10 0.00 0.00 70.33 69.37 3jx2 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3jx2 h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.29 114.58 111.53 3jx2 h GLU 328 Ca -0.03 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.55 3jx2 h GLU 328 Cb 0.15 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 3jx2 h GLU 328 CO 0.05 0.31 -1.66 0.45 -1.40 0.00 0.00 179.01 176.76 3jx2 h HIS 329 N 0.00 0.00 -3.41 4.33 3.86 -2.02 -3.48 115.15 114.43 3jx2 h HIS 329 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 3jx2 h HIS 329 Cb 0.68 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.85 3jx2 h HIS 329 CO 0.00 0.96 -0.63 -1.50 0.86 0.00 0.00 177.93 177.62 3jx2 s ILE 330 N -2.63 -0.03 -0.23 2.45 2.07 -1.24 -5.13 121.20 116.45 3jx2 s ILE 330 Ca -0.04 0.11 -0.13 0.00 -1.41 0.00 0.00 60.65 59.19 3jx2 s ILE 330 Cb 0.08 -0.17 -0.05 0.00 0.13 0.00 0.00 42.46 42.46 3jx2 s ILE 330 CO 0.82 0.05 0.26 0.00 -1.91 0.00 0.00 174.94 174.16 3jx2 n MET 332 N 4.46 3.63 -0.40 0.00 0.00 -1.26 -4.75 117.12 118.80 3jx2 n MET 332 Ca -0.12 -2.96 0.33 0.00 0.00 0.00 0.00 57.70 54.94 3jx2 n MET 332 Cb 0.52 -2.00 0.60 0.00 0.00 0.00 0.00 33.22 32.34 3jx2 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx2 h GLY 333 N 2.59 1.43 -1.99 3.03 0.00 -1.92 0.43 103.07 106.64 3jx2 h GLY 333 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3jx2 h GLY 333 CO 0.32 -0.39 0.00 -1.14 0.00 0.00 0.00 176.54 175.33 3jx2 n SER 334 N -4.76 2.98 -4.71 0.19 3.41 -1.26 -4.89 113.62 104.57 3jx2 n SER 334 Ca 0.35 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.59 3jx2 n SER 334 Cb 1.28 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3jx2 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx2 s ILE 335 N -1.36 4.97 0.08 -1.33 -1.09 0.14 -4.97 121.20 117.63 3jx2 s ILE 335 Ca 0.38 1.73 -0.17 0.00 -2.23 0.00 0.00 60.65 60.35 3jx2 s ILE 335 Cb 0.20 -4.17 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 3jx2 s ILE 335 CO 0.27 0.21 1.41 0.58 -1.23 0.00 0.00 174.94 176.18 3jx2 h VAL 336 N 4.78 1.31 -3.34 2.92 2.07 -1.91 -3.39 116.25 118.70 3jx2 h VAL 336 Ca -0.41 -1.31 -0.62 0.00 0.82 0.00 0.00 66.70 65.18 3jx2 h VAL 336 Cb 1.21 1.63 -0.40 0.00 -1.52 0.00 0.00 31.29 32.21 3jx2 h VAL 336 CO 0.75 0.41 -0.73 -0.22 0.02 0.00 0.00 177.57 177.80 3jx2 s LEU 337 N -9.10 3.31 0.00 2.57 2.96 -1.26 -5.16 118.68 112.00 3jx2 s LEU 337 Ca -0.13 -2.02 0.28 0.00 -0.22 0.00 0.00 54.13 52.04 3jx2 s LEU 337 Cb 0.07 -1.20 1.13 0.00 0.50 0.00 0.00 46.19 46.69 3jx2 s LEU 337 CO 0.79 -0.38 1.82 -2.65 -1.32 0.00 0.00 176.35 174.61 3jx2 n PRO 338 N 4.38 0.37 -1.90 0.98 -0.02 -1.26 -5.18 135.00 132.36 3jx2 n PRO 338 Ca 0.02 -0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 3jx2 n PRO 338 Cb 0.41 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.47 3jx2 n PRO 338 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3jx2 s VAL 348 N -2.71 2.13 0.43 -1.45 -7.23 -1.26 -5.00 120.40 105.32 3jx2 s VAL 348 Ca 0.22 0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 60.19 3jx2 s VAL 348 Cb 0.19 -3.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.01 3jx2 s VAL 348 CO 0.53 -0.06 1.17 -0.13 -0.31 0.00 0.00 175.10 176.30 3jx2 s ARG 349 N -5.56 3.88 0.74 4.82 1.81 -1.26 -5.06 118.95 118.32 3jx2 s ARG 349 Ca 0.62 1.82 -0.09 0.00 -1.72 0.00 0.00 55.73 56.35 3jx2 s ARG 349 Cb -0.11 -2.52 0.06 0.00 -0.45 0.00 0.00 34.95 31.93 3jx2 s ARG 349 CO 0.49 -0.46 1.08 0.95 -0.68 0.00 0.00 175.30 176.68 3jx2 s THR 350 N -1.48 2.32 0.36 0.02 -4.23 -1.26 -4.87 115.64 106.50 3jx2 s THR 350 Ca 0.61 -0.09 0.12 0.00 -1.18 0.00 0.00 61.69 61.15 3jx2 s THR 350 Cb -0.30 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 70.83 3jx2 s THR 350 CO 0.37 -0.07 1.81 0.11 -0.54 0.00 0.00 174.62 176.30 3jx2 h LYS 351 N -0.77 0.56 0.01 3.99 1.57 -1.93 -1.28 116.57 118.72 3jx2 h LYS 351 Ca -0.45 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.09 3jx2 h LYS 351 Cb 1.31 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3jx2 h LYS 351 CO 0.63 0.37 -0.91 -0.44 -0.57 0.00 0.00 179.45 178.53 3jx2 h ASP 352 N 0.57 0.18 0.50 0.86 3.45 -1.98 -3.18 116.42 116.82 3jx2 h ASP 352 Ca 0.54 -0.16 -0.27 0.00 0.43 0.00 0.00 57.03 57.58 3jx2 h ASP 352 Cb 1.09 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3jx2 h ASP 352 CO -0.28 1.00 -1.17 1.56 -1.57 0.00 0.00 179.24 178.77 3jx2 h GLN 353 N 0.07 0.34 -0.42 3.56 4.20 -1.83 -3.37 115.11 117.66 3jx2 h GLN 353 Ca -0.04 -0.51 -0.15 0.00 0.06 0.00 0.00 58.65 58.01 3jx2 h GLN 353 Cb 1.57 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 3jx2 h GLN 353 CO 0.13 1.21 -0.32 1.25 -0.67 0.00 0.00 178.83 180.44 3jx2 h LEU 354 N 0.13 1.00 -0.37 1.46 5.85 -1.31 -3.29 115.31 118.78 3jx2 h LEU 354 Ca -0.13 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 3jx2 h LEU 354 Cb 1.87 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 3jx2 h LEU 354 CO 0.20 1.22 0.06 0.15 -0.34 0.00 0.00 178.44 179.73 3jx2 h PHE 355 N 0.79 0.66 -0.82 1.25 3.57 -1.71 -1.21 116.94 119.48 3jx2 h PHE 355 Ca 0.08 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3jx2 h PHE 355 Cb 0.90 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 3jx2 h PHE 355 CO 0.06 0.67 0.54 -1.00 -2.23 0.00 0.00 178.31 176.35 3jx2 h PRO 356 N 0.45 1.02 -0.37 6.41 0.13 -1.76 -0.66 132.00 137.22 3jx2 h PRO 356 Ca 0.11 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3jx2 h PRO 356 Cb 0.37 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 3jx2 h PRO 356 CO 0.01 0.67 0.22 -0.07 -0.23 0.00 0.00 178.00 178.60 3jx2 h LEU 357 N 1.05 0.44 -0.23 1.56 3.38 -1.54 0.00 115.31 119.97 3jx2 h LEU 357 Ca 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3jx2 h LEU 357 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3jx2 h LEU 357 CO -0.09 0.36 0.14 0.00 0.09 0.00 0.00 178.44 178.94 3jx2 h ALA 358 N 1.10 0.29 -0.18 1.53 0.00 -0.79 -1.98 119.26 119.23 3jx2 h ALA 358 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jx2 h ALA 358 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jx2 h ALA 358 CO -0.03 -0.20 0.11 -0.22 0.00 0.00 0.00 179.25 178.92 3jx2 h LYS 359 N 0.29 0.25 -0.36 0.00 3.64 -0.86 0.94 116.57 120.47 3jx2 h LYS 359 Ca 0.08 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3jx2 h LYS 359 Cb 0.02 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 3jx2 h LYS 359 CO -0.02 0.20 0.00 1.49 -2.27 0.00 0.00 179.45 178.86 3jx2 h GLU 360 N 0.22 0.10 -0.13 1.90 4.81 -0.92 0.08 114.58 120.64 3jx2 h GLU 360 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3jx2 h GLU 360 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3jx2 h GLU 360 CO -0.01 0.07 0.07 0.35 -0.73 0.00 0.00 179.01 178.76 3jx2 h PHE 361 N 0.10 0.18 -0.32 0.92 3.57 -1.03 -2.49 116.94 117.88 3jx2 h PHE 361 Ca 0.18 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3jx2 h PHE 361 Cb 0.24 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3jx2 h PHE 361 CO -0.25 0.18 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.88 3jx2 h LEU 362 N 0.13 0.50 -0.16 0.59 3.38 -0.51 -0.66 115.31 118.57 3jx2 h LEU 362 Ca 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3jx2 h LEU 362 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3jx2 h LEU 362 CO -0.01 0.62 0.05 0.44 0.09 0.00 0.00 178.44 179.63 3jx2 h ASP 363 N 0.49 0.05 -0.46 -0.43 5.19 -0.91 -0.18 116.42 120.17 3jx2 h ASP 363 Ca 0.10 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.42 3jx2 h ASP 363 Cb 0.42 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 3jx2 h ASP 363 CO 0.02 0.05 -0.10 0.06 -3.12 0.00 0.00 179.24 176.15 3jx2 h GLN 364 N 0.13 0.93 0.27 3.56 3.07 -0.98 -1.97 115.11 120.11 3jx2 h GLN 364 Ca 0.07 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.49 3jx2 h GLN 364 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 3jx2 h GLN 364 CO -0.08 0.98 -0.31 -0.92 0.09 0.00 0.00 178.83 178.59 3jx2 h TYR 365 N 0.83 -0.84 0.00 0.06 3.20 -0.81 -0.89 116.97 118.52 3jx2 h TYR 365 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3jx2 h TYR 365 Cb 0.64 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3jx2 h TYR 365 CO 0.04 -0.44 -0.31 1.88 -1.64 0.00 0.00 178.16 177.69 3jx2 h TYR 366 N -0.63 0.00 -0.51 -3.82 -1.99 -1.01 -1.75 116.97 107.25 3jx2 h TYR 366 Ca -0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 3jx2 h TYR 366 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 3jx2 h TYR 366 CO -0.21 0.31 -0.18 1.03 -0.00 0.00 0.00 178.16 179.11 3jx2 h SER 367 N 0.00 1.04 -0.06 3.88 0.87 -1.23 0.26 113.55 118.31 3jx2 h SER 367 Ca -0.00 -0.38 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 3jx2 h SER 367 Cb 0.61 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3jx2 h SER 367 CO 0.04 1.18 -0.12 0.77 -0.53 0.00 0.00 176.83 178.17 3jx2 h SER 368 N 0.89 0.35 -0.39 6.23 4.64 -0.30 -1.43 113.55 123.54 3jx2 h SER 368 Ca 0.12 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3jx2 h SER 368 Cb 0.76 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3jx2 h SER 368 CO 0.06 0.50 0.00 2.30 -0.87 0.00 0.00 176.83 178.83 3jx2 n ILE 369 N -4.24 1.34 -3.72 0.95 -5.35 -0.88 -4.92 119.36 102.55 3jx2 n ILE 369 Ca 0.00 -0.77 -0.28 0.00 -0.27 0.00 0.00 62.75 61.42 3jx2 n ILE 369 Cb 0.29 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 3jx2 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx2 n LYS 370 N 0.53 -4.14 -0.68 6.28 5.02 -0.54 -4.86 118.16 119.78 3jx2 n LYS 370 Ca 0.16 0.52 0.06 0.00 -2.02 0.00 0.00 58.31 57.03 3jx2 n LYS 370 Cb 0.69 -5.30 0.15 0.00 -0.02 0.00 0.00 35.03 30.54 3jx2 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx2 n ARG 371 N -4.21 1.12 -1.76 1.97 1.74 0.81 -5.02 116.66 111.32 3jx2 n ARG 371 Ca 0.02 -2.77 -0.42 0.00 -0.77 0.00 0.00 57.85 53.91 3jx2 n ARG 371 Cb 0.53 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 3jx2 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jx2 s PHE 372 N -2.32 2.89 0.00 -1.55 5.36 -0.61 -2.26 117.98 119.49 3jx2 s PHE 372 Ca 0.34 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 3jx2 s PHE 372 Cb 0.33 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 3jx2 s PHE 372 CO -0.07 -4.11 0.00 0.41 -1.46 0.00 0.00 175.22 169.99 3jx2 n GLY 373 N 3.64 0.64 3.88 13.12 0.00 -1.26 -5.00 105.19 120.21 3jx2 n GLY 373 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3jx2 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx2 s SER 374 N -2.50 5.05 0.22 1.61 1.04 -0.96 -4.85 113.70 113.31 3jx2 s SER 374 Ca 0.00 1.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.39 3jx2 s SER 374 Cb 0.00 -1.76 0.19 0.00 0.10 0.00 0.00 66.02 64.55 3jx2 s SER 374 CO 0.00 -1.59 1.89 0.50 0.98 0.00 0.00 173.24 175.02 3jx2 h LYS 375 N -0.83 1.10 -0.93 4.02 3.64 -1.95 -1.45 116.57 120.16 3jx2 h LYS 375 Ca -0.46 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 3jx2 h LYS 375 Cb 1.28 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 3jx2 h LYS 375 CO 0.64 0.73 0.61 0.00 -2.27 0.00 0.00 179.45 179.16 3jx2 h ALA 376 N 1.30 1.44 0.69 5.00 0.00 -1.94 0.87 119.26 126.62 3jx2 h ALA 376 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3jx2 h ALA 376 Cb -0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 3jx2 h ALA 376 CO -0.06 0.45 -0.39 1.25 0.00 0.00 0.00 179.25 180.50 3jx2 h HIS 377 N 1.13 -1.01 -0.80 0.00 -0.00 -1.56 -1.84 115.15 111.07 3jx2 h HIS 377 Ca 0.38 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.78 3jx2 h HIS 377 Cb 0.08 0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 27.79 3jx2 h HIS 377 CO -0.00 -0.60 0.50 0.52 -0.00 0.00 0.00 177.93 178.35 3jx2 h MET 378 N -1.00 0.92 -0.62 5.26 2.07 -0.98 -2.01 114.93 118.57 3jx2 h MET 378 Ca -0.09 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.44 3jx2 h MET 378 Cb 0.79 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 30.29 3jx2 h MET 378 CO 0.11 0.61 0.20 -0.44 1.07 0.00 0.00 176.91 178.46 3jx2 h ASP 379 N 0.94 0.90 -0.67 1.22 3.45 -0.84 -1.78 116.42 119.65 3jx2 h ASP 379 Ca 0.33 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 3jx2 h ASP 379 Cb 0.08 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.59 3jx2 h ASP 379 CO -0.14 0.86 0.26 -0.09 -1.57 0.00 0.00 179.24 178.56 3jx2 h ARG 380 N 0.89 1.03 -0.25 3.56 9.65 -0.91 -1.49 114.38 126.86 3jx2 h ARG 380 Ca 0.20 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3jx2 h ARG 380 Cb 0.28 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3jx2 h ARG 380 CO -0.01 0.85 0.05 1.25 2.80 0.00 0.00 179.97 184.91 3jx2 h LEU 381 N 1.00 0.39 -0.37 3.80 5.85 -1.01 -2.41 115.31 122.56 3jx2 h LEU 381 Ca 0.23 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3jx2 h LEU 381 Cb 0.22 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3jx2 h LEU 381 CO -0.02 0.53 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.18 3jx2 h GLU 382 N 0.23 -0.29 -0.29 1.25 4.57 -1.14 -2.03 114.58 116.87 3jx2 h GLU 382 Ca 0.08 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3jx2 h GLU 382 Cb 0.30 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3jx2 h GLU 382 CO 0.00 -0.19 0.16 1.49 -1.18 0.00 0.00 179.01 179.30 3jx2 h GLU 383 N -0.30 0.39 0.09 1.92 4.81 -1.10 -1.23 114.58 119.17 3jx2 h GLU 383 Ca 0.15 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 3jx2 h GLU 383 Cb 0.56 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.87 3jx2 h GLU 383 CO -0.53 0.29 -0.66 0.28 -0.73 0.00 0.00 179.01 177.67 3jx2 h VAL 384 N 0.40 1.52 -0.89 0.32 2.07 -1.27 -2.45 116.25 115.96 3jx2 h VAL 384 Ca 0.11 -2.38 0.08 0.00 0.82 0.00 0.00 66.70 65.33 3jx2 h VAL 384 Cb 0.01 3.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 3jx2 h VAL 384 CO -0.02 0.67 0.58 -1.13 0.02 0.00 0.00 177.57 177.69 3jx2 h ASN 385 N -0.37 0.85 0.23 0.57 -0.73 -1.12 0.03 115.58 115.03 3jx2 h ASN 385 Ca -0.11 0.01 -0.15 0.00 1.87 0.00 0.00 56.30 57.93 3jx2 h ASN 385 Cb 1.47 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.88 3jx2 h ASN 385 CO 0.12 0.53 -0.58 0.11 -0.37 0.00 0.00 177.43 177.24 3jx2 h LYS 386 N 0.95 0.36 -0.04 6.67 1.57 -1.24 -1.74 116.57 123.10 3jx2 h LYS 386 Ca 0.39 -0.23 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 3jx2 h LYS 386 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3jx2 h LYS 386 CO -0.16 0.83 -0.75 1.49 -0.57 0.00 0.00 179.45 180.30 3jx2 h GLU 387 N 0.27 0.27 -0.18 3.15 4.81 -0.83 -3.02 114.58 119.06 3jx2 h GLU 387 Ca -0.00 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 3jx2 h GLU 387 Cb 1.09 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3jx2 h GLU 387 CO 0.10 0.90 -0.29 0.82 -0.73 0.00 0.00 179.01 179.81 3jx2 h ILE 388 N 0.18 1.34 -0.85 2.32 2.04 -0.92 0.57 117.51 122.19 3jx2 h ILE 388 Ca -0.03 -1.51 0.14 0.00 1.00 0.00 0.00 64.86 64.46 3jx2 h ILE 388 Cb 1.33 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 39.23 3jx2 h ILE 388 CO 0.12 0.46 0.55 -0.33 0.00 0.00 0.00 178.15 178.95 3jx2 h GLU 389 N 0.16 0.61 0.00 2.37 4.39 -1.30 0.22 114.58 121.03 3jx2 h GLU 389 Ca 0.01 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 3jx2 h GLU 389 Cb 0.87 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 3jx2 h GLU 389 CO 0.07 0.41 -2.15 -1.13 -1.16 0.00 0.00 179.01 175.05 3jx2 n SER 390 N -4.54 2.38 0.02 1.42 3.41 -1.15 -4.60 113.62 110.57 3jx2 n SER 390 Ca 0.16 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 3jx2 n SER 390 Cb 0.47 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3jx2 n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jx2 n THR 391 N -3.07 0.16 -1.00 6.66 -2.24 0.19 -4.98 114.28 110.00 3jx2 n THR 391 Ca -0.35 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3jx2 n THR 391 Cb 0.89 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3jx2 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx2 n SER 392 N -2.02 -4.47 -0.83 3.42 3.41 0.77 -4.95 113.62 108.95 3jx2 n SER 392 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3jx2 n SER 392 Cb 0.46 -2.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 3jx2 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx2 n THR 393 N -2.49 0.00 -3.76 6.66 5.66 -1.26 -4.75 114.28 114.34 3jx2 n THR 393 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3jx2 n THR 393 Cb 0.25 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.01 3jx2 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx2 s TYR 394 N -5.85 -0.23 -0.10 1.09 -0.85 -1.26 -3.22 117.35 106.92 3jx2 s TYR 394 Ca 0.00 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.39 3jx2 s TYR 394 Cb 0.00 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 3jx2 s TYR 394 CO 0.00 -1.12 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.17 3jx2 s GLN 395 N -3.88 3.12 0.19 -3.49 -1.52 -1.26 -5.06 119.66 107.75 3jx2 s GLN 395 Ca 0.09 -0.60 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 3jx2 s GLN 395 Cb -0.04 -2.65 -0.08 0.00 -0.22 0.00 0.00 33.01 30.02 3jx2 s GLN 395 CO 0.02 0.43 0.98 -0.51 -0.25 0.00 0.00 175.29 175.96 3jx2 s LEU 396 N -0.19 4.57 0.77 2.90 1.43 -1.26 -5.05 118.68 121.85 3jx2 s LEU 396 Ca 0.02 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 3jx2 s LEU 396 Cb -0.13 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.55 3jx2 s LEU 396 CO 0.03 0.01 1.23 -0.54 0.23 0.00 0.00 176.35 177.31 3jx2 s LYS 397 N -0.69 1.83 0.22 1.70 -0.14 -1.26 -4.83 119.74 116.57 3jx2 s LYS 397 Ca 0.44 1.85 -0.08 0.00 -1.36 0.00 0.00 55.97 56.82 3jx2 s LYS 397 Cb -0.26 -1.79 0.31 0.00 -1.68 0.00 0.00 37.83 34.41 3jx2 s LYS 397 CO 0.32 -2.09 1.74 -0.44 -0.76 0.00 0.00 175.35 174.13 3jx2 h ASP 398 N -0.56 0.25 -0.61 2.83 3.32 -1.99 -0.68 116.42 119.00 3jx2 h ASP 398 Ca -0.47 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 3jx2 h ASP 398 Cb 1.31 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 3jx2 h ASP 398 CO 0.48 0.14 0.18 0.71 -1.72 0.00 0.00 179.24 179.03 3jx2 h THR 399 N 0.43 1.24 -0.25 0.35 1.35 -2.00 -0.56 112.91 113.48 3jx2 h THR 399 Ca 0.33 -0.85 -0.11 0.00 -0.55 0.00 0.00 66.41 65.22 3jx2 h THR 399 Cb 0.42 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3jx2 h THR 399 CO -0.32 0.33 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.63 3jx2 h GLU 400 N 0.95 0.53 -0.16 4.72 5.08 -1.79 -1.84 114.58 122.07 3jx2 h GLU 400 Ca 0.21 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3jx2 h GLU 400 Cb 0.29 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3jx2 h GLU 400 CO -0.01 0.79 -0.17 1.25 -1.00 0.00 0.00 179.01 179.87 3jx2 h LEU 401 N 0.46 0.42 -0.05 1.33 5.85 -0.49 0.41 115.31 123.24 3jx2 h LEU 401 Ca 0.06 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3jx2 h LEU 401 Cb 0.78 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3jx2 h LEU 401 CO 0.06 0.82 -0.02 0.40 -0.34 0.00 0.00 178.44 179.37 3jx2 h ILE 402 N 0.03 0.94 -0.08 4.05 2.04 -1.08 -1.17 117.51 122.23 3jx2 h ILE 402 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3jx2 h ILE 402 Cb 0.71 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3jx2 h ILE 402 CO 0.04 0.00 -0.08 0.22 0.00 0.00 0.00 178.15 178.34 3jx2 h TYR 403 N -0.01 -0.18 -0.51 1.37 3.20 -1.32 -2.34 116.97 117.18 3jx2 h TYR 403 Ca 0.03 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3jx2 h TYR 403 Cb 0.05 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 3jx2 h TYR 403 CO -0.12 -0.12 0.17 0.78 -1.64 0.00 0.00 178.16 177.23 3jx2 h GLY 404 N -0.09 0.67 0.99 1.82 0.00 0.18 -1.56 103.07 105.08 3jx2 h GLY 404 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3jx2 h GLY 404 CO -0.14 -0.01 0.31 0.00 0.00 0.00 0.00 176.54 176.70 3jx2 h ALA 405 N 1.35 0.76 -0.37 3.60 0.00 -1.12 0.01 119.26 123.49 3jx2 h ALA 405 Ca 0.25 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3jx2 h ALA 405 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3jx2 h ALA 405 CO -0.27 0.30 -0.35 0.87 0.00 0.00 0.00 179.25 179.80 3jx2 h LYS 406 N 0.81 0.89 0.00 0.00 1.57 -1.09 -2.47 116.57 116.27 3jx2 h LYS 406 Ca 0.21 -0.46 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3jx2 h LYS 406 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3jx2 h LYS 406 CO -0.03 1.11 -0.46 0.45 -0.57 0.00 0.00 179.45 179.95 3jx2 h HIS 407 N 0.69 0.00 -0.93 -1.35 3.86 -1.19 0.45 115.15 116.68 3jx2 h HIS 407 Ca 0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3jx2 h HIS 407 Cb 0.94 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.36 3jx2 h HIS 407 CO 0.07 0.46 0.62 0.00 0.86 0.00 0.00 177.93 179.93 3jx2 h ALA 408 N 1.54 1.34 -0.02 2.45 0.00 -0.55 0.00 119.26 124.04 3jx2 h ALA 408 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3jx2 h ALA 408 Cb 0.92 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3jx2 h ALA 408 CO 0.06 0.61 -0.03 2.35 0.00 0.00 0.00 179.25 182.24 3jx2 h TRP 409 N 1.26 0.06 -1.08 0.00 7.01 -1.18 -2.70 115.95 119.32 3jx2 h TRP 409 Ca 0.34 -0.02 0.30 0.00 2.11 0.00 0.00 58.89 61.61 3jx2 h TRP 409 Cb -0.14 -0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 26.83 3jx2 h TRP 409 CO -0.00 0.62 0.73 -0.09 -2.79 0.00 0.00 178.44 176.92 3jx2 h ARG 410 N -0.51 0.21 -0.01 2.65 2.43 -0.67 -1.05 114.38 117.43 3jx2 h ARG 410 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3jx2 h ARG 410 Cb 0.62 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3jx2 h ARG 410 CO 0.01 0.14 -0.41 0.09 -1.51 0.00 0.00 179.97 178.29 3jx2 n ASN 411 N -4.44 0.96 -4.57 -3.80 3.02 -0.03 -4.86 115.26 101.54 3jx2 n ASN 411 Ca 0.25 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.63 3jx2 n ASN 411 Cb 1.02 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 40.43 3jx2 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx2 s ALA 412 N -2.69 2.60 -0.10 5.41 0.00 -0.40 -4.70 121.76 121.88 3jx2 s ALA 412 Ca 0.18 -0.39 0.30 0.00 0.00 0.00 0.00 51.96 52.05 3jx2 s ALA 412 Cb 0.18 -4.15 0.98 0.00 0.00 0.00 0.00 23.12 20.14 3jx2 s ALA 412 CO 0.61 -3.18 1.84 0.66 0.00 0.00 0.00 175.76 175.69 3jx2 h SER 413 N 12.98 0.00 0.07 0.00 4.64 -1.89 -2.55 113.55 126.80 3jx2 h SER 413 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3jx2 h SER 413 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3jx2 h SER 413 CO 1.15 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 177.60 3jx2 n ARG 414 N -3.10 1.31 -3.54 4.77 1.74 -1.26 -0.41 116.66 116.17 3jx2 n ARG 414 Ca 0.02 -0.65 -0.39 0.00 -0.77 0.00 0.00 57.85 56.06 3jx2 n ARG 414 Cb 0.39 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 3jx2 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx2 h VAL 416 N 5.43 0.00 -0.50 0.00 3.04 -1.89 -3.30 116.25 119.03 3jx2 h VAL 416 Ca -0.33 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 3jx2 h VAL 416 Cb 1.17 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 3jx2 h VAL 416 CO 0.60 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.77 3jx2 n GLY 417 N 0.93 2.73 0.00 3.17 0.00 -1.26 -4.30 105.19 106.45 3jx2 n GLY 417 Ca 0.04 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.35 3jx2 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx2 n ARG 418 N 0.59 0.42 0.30 1.61 1.74 -1.24 -2.64 116.66 117.45 3jx2 n ARG 418 Ca 0.24 0.02 0.19 0.00 -0.77 0.00 0.00 57.85 57.53 3jx2 n ARG 418 Cb 1.03 -1.50 0.92 0.00 -1.02 0.00 0.00 32.46 31.89 3jx2 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx2 h ILE 419 N 0.00 0.06 -0.12 0.55 2.10 -1.88 -1.26 117.51 116.95 3jx2 h ILE 419 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3jx2 h ILE 419 Cb 0.02 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3jx2 h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 3jx2 n GLN 420 N -3.14 1.67 -0.21 2.19 1.13 -1.08 -4.62 117.38 113.32 3jx2 n GLN 420 Ca -0.01 -1.00 0.11 0.00 -1.94 0.00 0.00 57.00 54.16 3jx2 n GLN 420 Cb 0.20 -1.41 0.40 0.00 0.11 0.00 0.00 30.24 29.54 3jx2 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx2 h TRP 421 N 2.11 0.72 0.00 1.08 5.08 -1.46 -0.34 115.95 123.14 3jx2 h TRP 421 Ca 0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 3jx2 h TRP 421 Cb 0.46 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3jx2 h TRP 421 CO 0.08 0.31 -0.06 0.66 -1.28 0.00 0.00 178.44 178.15 3jx2 h SER 422 N 0.65 0.00 -3.20 0.11 4.64 -1.85 -3.37 113.55 110.53 3jx2 h SER 422 Ca 0.38 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.92 3jx2 h SER 422 Cb 0.59 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.42 3jx2 h SER 422 CO -0.15 0.06 0.69 0.29 -0.87 0.00 0.00 176.83 176.85 3jx2 n LYS 423 N -3.14 3.53 -4.29 4.77 5.02 -0.14 -4.94 118.16 118.97 3jx2 n LYS 423 Ca 0.02 -4.31 -0.21 0.00 -2.02 0.00 0.00 58.31 51.79 3jx2 n LYS 423 Cb 0.43 -2.67 -0.16 0.00 -0.02 0.00 0.00 35.03 32.61 3jx2 n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jx2 s LEU 424 N -0.64 1.43 -0.25 -0.35 2.96 -1.26 -4.55 118.68 116.02 3jx2 s LEU 424 Ca 0.34 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 3jx2 s LEU 424 Cb -0.08 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 3jx2 s LEU 424 CO -0.06 -0.03 0.58 -1.58 -1.32 0.00 0.00 176.35 173.95 3jx2 s GLN 425 N 0.84 4.11 -0.25 1.98 2.00 -0.91 -4.99 119.66 122.44 3jx2 s GLN 425 Ca -0.12 0.46 -0.10 0.00 -2.00 0.00 0.00 55.36 53.60 3jx2 s GLN 425 Cb -0.15 -3.64 -0.05 0.00 0.80 0.00 0.00 33.01 29.97 3jx2 s GLN 425 CO 0.01 -0.36 0.16 0.08 -0.50 0.00 0.00 175.29 174.68 3jx2 s VAL 426 N 2.35 5.24 -0.30 1.34 1.01 -1.26 -1.26 120.40 127.51 3jx2 s VAL 426 Ca 0.24 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 3jx2 s VAL 426 Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3jx2 s VAL 426 CO 0.09 0.31 0.16 -0.36 0.00 0.00 0.00 175.10 175.30 3jx2 s PHE 427 N 1.33 3.18 -0.54 5.22 0.08 0.14 -4.98 117.98 122.41 3jx2 s PHE 427 Ca 0.07 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 3jx2 s PHE 427 Cb -0.14 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 39.97 3jx2 s PHE 427 CO 0.07 -0.39 1.19 0.34 -0.10 0.00 0.00 175.22 176.32 3jx2 s ASP 428 N 1.65 6.51 -0.22 1.36 3.68 -1.26 -0.55 116.67 127.83 3jx2 s ASP 428 Ca 0.05 0.27 0.12 0.00 2.13 0.00 0.00 52.55 55.13 3jx2 s ASP 428 Cb -0.17 -2.55 0.44 0.00 -1.45 0.00 0.00 42.92 39.19 3jx2 s ASP 428 CO 0.07 -1.40 1.31 0.00 0.13 0.00 0.00 175.17 175.28 3jx2 n ALA 429 N 8.26 3.57 0.30 3.66 0.00 -0.02 -4.67 120.51 131.61 3jx2 n ALA 429 Ca 0.10 -3.04 0.17 0.00 0.00 0.00 0.00 53.44 50.67 3jx2 n ALA 429 Cb 0.49 -0.52 0.72 0.00 0.00 0.00 0.00 19.45 20.14 3jx2 n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jx2 h ARG 430 N 0.90 0.00 -0.00 0.00 3.08 -1.76 -1.44 114.38 115.16 3jx2 h ARG 430 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3jx2 h ARG 430 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3jx2 h ARG 430 CO 0.15 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.65 3jx2 n ASP 431 N -2.96 0.04 -4.76 7.04 3.85 -1.26 -4.46 116.55 114.04 3jx2 n ASP 431 Ca 0.00 -1.09 -0.41 0.00 -0.71 0.00 0.00 54.79 52.59 3jx2 n ASP 431 Cb 0.27 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 3jx2 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jx2 n THR 433 N 1.04 0.00 -4.31 0.00 -2.24 -1.26 -4.75 114.28 102.76 3jx2 n THR 433 Ca 0.00 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3jx2 n THR 433 Cb 0.43 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 3jx2 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx2 s THR 434 N -1.32 0.58 0.17 4.28 -4.23 -1.26 -4.66 115.64 109.19 3jx2 s THR 434 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3jx2 s THR 434 Cb 0.00 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 3jx2 s THR 434 CO 0.00 -0.08 1.51 0.00 -0.54 0.00 0.00 174.62 175.51 3jx2 h ALA 435 N 2.43 0.65 -0.72 3.99 0.00 -1.91 -0.59 119.26 123.11 3jx2 h ALA 435 Ca -0.38 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.13 3jx2 h ALA 435 Cb 1.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3jx2 h ALA 435 CO 0.61 0.67 0.42 0.45 0.00 0.00 0.00 179.25 181.40 3jx2 h HIS 436 N 0.68 0.78 -0.70 0.00 -0.00 -1.96 0.70 115.15 114.63 3jx2 h HIS 436 Ca 0.05 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 3jx2 h HIS 436 Cb 0.96 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 28.08 3jx2 h HIS 436 CO 0.06 0.39 0.42 0.78 -0.00 0.00 0.00 177.93 179.57 3jx2 h GLY 437 N 0.78 1.03 1.00 2.45 0.00 -1.83 -2.31 103.07 104.20 3jx2 h GLY 437 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3jx2 h GLY 437 CO -0.17 0.22 0.40 -0.33 0.00 0.00 0.00 176.54 176.65 3jx2 h MET 438 N 0.79 0.88 -0.80 4.80 0.00 -0.50 -1.63 114.93 118.46 3jx2 h MET 438 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 59.70 59.92 3jx2 h MET 438 Cb 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 31.60 31.49 3jx2 h MET 438 CO -0.15 0.62 0.47 0.35 0.00 0.00 0.00 176.91 178.20 3jx2 h PHE 439 N 0.88 1.06 0.04 -0.22 -0.00 -0.57 -0.46 116.94 117.66 3jx2 h PHE 439 Ca 0.23 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.20 3jx2 h PHE 439 Cb -0.03 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 35.57 3jx2 h PHE 439 CO -0.02 0.71 -0.02 -0.97 -0.00 0.00 0.00 178.31 178.01 3jx2 h ASN 440 N 1.10 -0.04 -0.97 0.41 -1.24 -1.06 -0.76 115.58 113.02 3jx2 h ASN 440 Ca 0.29 -0.53 0.26 0.00 0.71 0.00 0.00 56.30 57.03 3jx2 h ASN 440 Cb -0.03 0.01 -0.13 0.00 0.73 0.00 0.00 38.32 38.89 3jx2 h ASN 440 CO -0.05 0.53 0.52 1.88 -1.29 0.00 0.00 177.43 179.01 3jx2 h TYR 441 N -0.63 0.87 -0.05 0.67 -1.99 -1.21 -1.80 116.97 112.82 3jx2 h TYR 441 Ca -0.01 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 3jx2 h TYR 441 Cb 0.57 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.07 3jx2 h TYR 441 CO 0.12 -0.05 -0.16 0.82 -0.00 0.00 0.00 178.16 178.89 3jx2 h ILE 442 N 0.44 1.44 -0.70 -2.88 2.04 -0.77 -1.53 117.51 115.55 3jx2 h ILE 442 Ca 0.65 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.98 3jx2 h ILE 442 Cb 1.32 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.69 3jx2 h ILE 442 CO -0.54 0.43 0.46 0.00 0.00 0.00 0.00 178.15 178.50 3jx2 h ASN 444 N 0.90 0.51 0.26 0.00 2.35 -1.21 -1.29 115.58 117.10 3jx2 h ASN 444 Ca 0.27 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3jx2 h ASN 444 Cb -0.03 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3jx2 h ASN 444 CO -0.07 0.88 -0.12 -0.74 -1.65 0.00 0.00 177.43 175.73 3jx2 h HIS 445 N 0.38 -0.32 -0.55 1.19 -0.00 -0.37 -0.46 115.15 115.03 3jx2 h HIS 445 Ca 0.03 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 3jx2 h HIS 445 Cb 0.94 0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.40 3jx2 h HIS 445 CO 0.03 -0.13 0.28 0.28 -0.00 0.00 0.00 177.93 178.39 3jx2 h VAL 446 N -0.44 0.94 -0.20 5.26 2.07 -0.61 0.11 116.25 123.39 3jx2 h VAL 446 Ca -0.04 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3jx2 h VAL 446 Cb 0.33 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3jx2 h VAL 446 CO 0.06 0.10 -0.05 0.50 0.02 0.00 0.00 177.57 178.19 3jx2 h LYS 447 N 0.53 0.39 -0.36 1.57 3.64 -1.25 -2.16 116.57 118.93 3jx2 h LYS 447 Ca 0.25 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3jx2 h LYS 447 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3jx2 h LYS 447 CO -0.18 0.64 0.23 -0.92 -2.27 0.00 0.00 179.45 176.96 3jx2 h TYR 448 N 0.11 0.44 -0.08 1.91 3.20 -0.69 -2.14 116.97 119.72 3jx2 h TYR 448 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3jx2 h TYR 448 Cb 0.50 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 3jx2 h TYR 448 CO 0.05 0.28 0.01 0.00 -1.64 0.00 0.00 178.16 176.86 3jx2 h ALA 449 N 1.14 0.11 -0.23 1.82 0.00 -0.86 -3.26 119.26 117.97 3jx2 h ALA 449 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3jx2 h ALA 449 Cb -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3jx2 h ALA 449 CO -0.04 -0.24 -0.00 1.15 0.00 0.00 0.00 179.25 180.12 3jx2 h THR 450 N -0.11 0.83 -6.47 0.00 2.02 -1.44 0.12 112.91 107.86 3jx2 h THR 450 Ca 0.02 -0.02 -0.50 0.00 0.77 0.00 0.00 66.41 66.68 3jx2 h THR 450 Cb 0.29 0.76 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 3jx2 h THR 450 CO 0.00 0.01 -0.81 -3.20 0.37 0.00 0.00 175.52 171.90 3jx2 n ASN 451 N -5.15 -3.51 -2.07 4.18 5.15 -0.81 -0.22 115.26 112.84 3jx2 n ASN 451 Ca -0.02 -0.89 -0.21 0.00 -0.60 0.00 0.00 54.58 52.86 3jx2 n ASN 451 Cb 0.12 -3.39 -0.04 0.00 -0.53 0.00 0.00 39.78 35.94 3jx2 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx2 n LYS 452 N -4.52 -1.58 0.00 1.20 5.02 -1.26 -2.35 118.16 114.67 3jx2 n LYS 452 Ca -0.01 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 3jx2 n LYS 452 Cb 0.54 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 3jx2 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx2 n GLY 453 N -0.77 2.59 3.32 0.72 0.00 0.69 -4.93 105.19 106.81 3jx2 n GLY 453 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 3jx2 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx2 n ASN 454 N 0.00 5.30 -4.76 1.61 4.05 -0.99 -0.80 115.26 119.67 3jx2 n ASN 454 Ca 0.00 -3.03 -0.39 0.00 0.45 0.00 0.00 54.58 51.61 3jx2 n ASN 454 Cb 0.00 -1.51 0.02 0.00 1.23 0.00 0.00 39.78 39.52 3jx2 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx2 s LEU 455 N 0.63 4.00 -0.02 1.20 1.43 -1.24 -4.54 118.68 120.14 3jx2 s LEU 455 Ca 0.40 2.71 0.03 0.00 -1.03 0.00 0.00 54.13 56.25 3jx2 s LEU 455 Cb -0.01 -4.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 3jx2 s LEU 455 CO -0.00 -1.25 -0.11 -0.13 0.23 0.00 0.00 176.35 175.08 3jx2 s ARG 456 N -2.64 1.13 0.28 1.70 0.52 0.43 -5.01 118.95 115.35 3jx2 s ARG 456 Ca 0.65 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.17 3jx2 s ARG 456 Cb -0.39 -1.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.94 3jx2 s ARG 456 CO 0.48 0.18 1.34 -1.12 0.02 0.00 0.00 175.30 176.20 3jx2 s SER 457 N 0.03 6.79 0.06 0.23 0.01 -1.26 -4.47 113.70 115.08 3jx2 s SER 457 Ca -0.01 2.60 -0.17 0.00 1.31 0.00 0.00 55.95 59.68 3jx2 s SER 457 Cb -0.08 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.55 3jx2 s SER 457 CO 0.00 -0.56 0.39 0.00 0.41 0.00 0.00 173.24 173.48 3jx2 s ALA 458 N -0.53 -0.94 0.01 1.44 0.00 -0.88 -2.13 121.76 118.73 3jx2 s ALA 458 Ca 0.53 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3jx2 s ALA 458 Cb -0.39 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3jx2 s ALA 458 CO 0.46 -0.49 -0.04 -1.50 0.00 0.00 0.00 175.76 174.20 3jx2 s ILE 459 N -2.78 0.26 -0.15 0.00 2.07 -0.39 -1.25 121.20 118.96 3jx2 s ILE 459 Ca -0.03 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3jx2 s ILE 459 Cb -0.00 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.31 3jx2 s ILE 459 CO -0.05 -0.13 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.78 3jx2 s THR 460 N -0.57 2.33 -0.31 4.00 2.01 -0.94 0.25 115.64 122.41 3jx2 s THR 460 Ca -0.04 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3jx2 s THR 460 Cb -0.04 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.55 3jx2 s THR 460 CO -0.00 0.53 0.04 -0.63 -0.69 0.00 0.00 174.62 173.87 3jx2 s ILE 461 N 0.82 3.29 0.80 1.82 1.01 0.28 -3.37 121.20 125.85 3jx2 s ILE 461 Ca -0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 60.65 59.19 3jx2 s ILE 461 Cb -0.15 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.52 3jx2 s ILE 461 CO -0.01 -0.12 1.14 -0.36 0.00 0.00 0.00 174.94 175.58 3jx2 s PHE 462 N 1.31 2.95 0.49 3.97 0.08 -0.85 -0.84 117.98 125.08 3jx2 s PHE 462 Ca -0.04 0.90 -0.22 0.00 0.12 0.00 0.00 56.93 57.69 3jx2 s PHE 462 Cb -0.20 -3.32 -0.08 0.00 -0.57 0.00 0.00 43.02 38.85 3jx2 s PHE 462 CO 0.00 -1.74 1.02 -2.30 -0.10 0.00 0.00 175.22 172.10 3jx2 n PRO 463 N -3.34 1.27 -2.17 0.24 -0.02 -1.25 -4.68 135.00 125.04 3jx2 n PRO 463 Ca 0.07 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 3jx2 n PRO 463 Cb 0.59 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3jx2 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx2 s GLN 464 N -2.29 3.42 0.54 -0.52 -2.07 -1.26 -4.61 119.66 112.86 3jx2 s GLN 464 Ca 0.67 1.29 -0.20 0.00 -1.82 0.00 0.00 55.36 55.30 3jx2 s GLN 464 Cb -0.50 -2.04 -0.08 0.00 -1.09 0.00 0.00 33.01 29.30 3jx2 s GLN 464 CO 0.54 -0.74 0.86 -2.13 -1.32 0.00 0.00 175.29 172.49 3jx2 n ARG 465 N -1.72 0.92 0.00 9.60 0.63 0.61 -4.94 116.66 121.76 3jx2 n ARG 465 Ca 0.09 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3jx2 n ARG 465 Cb 0.53 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.44 3jx2 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx2 n THR 466 N -1.34 0.00 0.79 5.15 -2.24 -1.26 -4.79 114.28 110.59 3jx2 n THR 466 Ca 0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 3jx2 n THR 466 Cb 0.45 -0.07 0.21 0.00 -2.10 0.00 0.00 70.33 68.82 3jx2 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx2 n ASP 467 N -0.01 2.93 0.00 3.42 5.68 -1.26 -4.84 116.55 122.47 3jx2 n ASP 467 Ca 0.00 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3jx2 n ASP 467 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3jx2 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx2 n GLY 468 N 1.38 0.84 1.06 6.12 0.00 -1.26 -4.67 105.19 108.65 3jx2 n GLY 468 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3jx2 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx2 n LYS 469 N -2.31 2.49 -2.11 1.61 5.02 -1.26 -4.50 118.16 117.09 3jx2 n LYS 469 Ca 0.00 -2.27 -0.03 0.00 -2.02 0.00 0.00 58.31 54.00 3jx2 n LYS 469 Cb 0.00 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.61 3jx2 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx2 n HIS 470 N 1.28 1.10 -2.08 2.13 8.25 -1.26 -4.33 115.22 120.30 3jx2 n HIS 470 Ca 0.18 -1.68 -0.41 0.00 -0.26 0.00 0.00 57.72 55.55 3jx2 n HIS 470 Cb 0.55 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 3jx2 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx2 s ASP 471 N -3.26 6.74 -0.07 0.41 1.11 -1.26 -3.33 116.67 117.01 3jx2 s ASP 471 Ca 0.35 2.62 -0.20 0.00 0.18 0.00 0.00 52.55 55.49 3jx2 s ASP 471 Cb 0.36 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 3jx2 s ASP 471 CO -0.06 -0.62 0.57 -0.36 1.18 0.00 0.00 175.17 175.88 3jx2 s PHE 472 N -0.27 3.59 -0.02 4.23 0.40 -1.26 -0.48 117.98 124.16 3jx2 s PHE 472 Ca 0.56 1.09 -0.00 0.00 -0.60 0.00 0.00 56.93 57.98 3jx2 s PHE 472 Cb -0.40 -2.63 0.03 0.00 0.51 0.00 0.00 43.02 40.52 3jx2 s PHE 472 CO 0.45 0.21 0.03 1.03 0.70 0.00 0.00 175.22 177.64 3jx2 s ARG 473 N 0.39 -0.03 -0.35 0.44 1.81 -0.27 -2.69 118.95 118.25 3jx2 s ARG 473 Ca 0.31 0.19 -0.26 0.00 -1.72 0.00 0.00 55.73 54.24 3jx2 s ARG 473 Cb -0.17 -0.24 0.01 0.00 -0.45 0.00 0.00 34.95 34.11 3jx2 s ARG 473 CO 0.15 -0.16 0.94 0.08 -0.68 0.00 0.00 175.30 175.63 3jx2 s VAL 474 N 1.04 4.59 0.14 3.52 1.01 -1.26 -1.34 120.40 128.10 3jx2 s VAL 474 Ca -0.09 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 3jx2 s VAL 474 Cb -0.12 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3jx2 s VAL 474 CO -0.03 -0.49 1.71 -0.50 0.00 0.00 0.00 175.10 175.79 3jx2 h TRP 475 N 8.34 0.60 -3.19 5.22 4.06 -1.44 -3.41 115.95 126.12 3jx2 h TRP 475 Ca -0.23 -0.03 -0.58 0.00 2.06 0.00 0.00 58.89 60.11 3jx2 h TRP 475 Cb 1.08 -0.18 0.16 0.00 -1.00 0.00 0.00 29.16 29.21 3jx2 h TRP 475 CO 0.83 0.50 -0.05 0.09 -3.56 0.00 0.00 178.44 176.25 3jx2 n ASN 476 N -4.67 0.27 0.08 -3.49 4.13 -1.26 -4.91 115.26 105.40 3jx2 n ASN 476 Ca 0.00 0.85 -0.10 0.00 1.68 0.00 0.00 54.58 57.01 3jx2 n ASN 476 Cb 0.12 -1.30 -0.09 0.00 -1.54 0.00 0.00 39.78 36.96 3jx2 n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3jx2 h SER 477 N 0.70 0.21 -4.43 6.41 4.64 -1.89 -3.34 113.55 115.85 3jx2 h SER 477 Ca -0.46 -0.20 -0.33 0.00 -0.47 0.00 0.00 61.79 60.32 3jx2 h SER 477 Cb 1.37 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 63.21 3jx2 h SER 477 CO 0.51 1.12 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.75 3jx2 s GLN 478 N -2.83 0.81 0.29 4.77 -0.21 -1.26 -1.47 119.66 119.76 3jx2 s GLN 478 Ca -0.02 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 3jx2 s GLN 478 Cb 0.09 -0.56 0.42 0.00 1.00 0.00 0.00 33.01 33.96 3jx2 s GLN 478 CO 0.84 0.10 1.88 -0.07 -2.12 0.00 0.00 175.29 175.92 3jx2 h LEU 479 N 3.76 0.84 -8.05 2.90 3.38 -1.61 -3.37 115.31 113.16 3jx2 h LEU 479 Ca -0.38 -0.10 -0.67 0.00 0.09 0.00 0.00 57.88 56.82 3jx2 h LEU 479 Cb 1.19 -0.22 -0.34 0.00 0.09 0.00 0.00 40.66 41.38 3jx2 h LEU 479 CO 0.50 0.73 -0.79 -0.63 0.09 0.00 0.00 178.44 178.34 3jx2 s ILE 480 N -5.48 2.47 0.18 1.22 1.01 -1.26 -4.90 121.20 114.43 3jx2 s ILE 480 Ca -0.10 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 3jx2 s ILE 480 Cb 0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3jx2 s ILE 480 CO 0.80 0.23 0.26 -0.13 0.00 0.00 0.00 174.94 176.10 3jx2 s ARG 481 N 1.25 1.21 -0.07 2.79 0.52 -1.26 -4.88 118.95 118.51 3jx2 s ARG 481 Ca -0.01 -1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 53.88 3jx2 s ARG 481 Cb -0.17 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 3jx2 s ARG 481 CO -0.07 -0.44 0.03 0.71 0.02 0.00 0.00 175.30 175.55 3jx2 s TYR 482 N -4.02 3.23 0.92 -0.53 1.51 -1.26 -1.03 117.35 116.17 3jx2 s TYR 482 Ca 0.23 0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 3jx2 s TYR 482 Cb 0.04 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 40.23 3jx2 s TYR 482 CO 0.04 0.51 1.05 0.00 -1.11 0.00 0.00 175.55 176.05 3jx2 n ALA 483 N 1.94 -1.03 -3.70 3.71 0.00 0.47 -4.41 120.51 117.49 3jx2 n ALA 483 Ca -0.18 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 3jx2 n ALA 483 Cb 0.54 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 3jx2 n ALA 483 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3jx2 s GLY 484 N -2.53 0.58 -0.07 0.00 0.00 -1.23 -1.69 107.32 102.38 3jx2 s GLY 484 Ca 0.66 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.20 3jx2 s GLY 484 CO 0.59 0.66 -0.22 -0.19 0.00 0.00 0.00 173.10 173.93 3jx2 s TYR 485 N 1.32 2.25 -0.09 1.90 1.51 -0.12 -4.18 117.35 119.93 3jx2 s TYR 485 Ca -0.04 -0.75 -0.26 0.00 -1.01 0.00 0.00 57.07 55.02 3jx2 s TYR 485 Cb -0.14 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3jx2 s TYR 485 CO -0.03 -0.26 0.81 0.15 -1.11 0.00 0.00 175.55 175.11 3jx2 s LYS 486 N 0.07 4.41 0.03 -0.62 1.02 -1.26 -0.32 119.74 123.07 3jx2 s LYS 486 Ca -0.08 1.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 3jx2 s LYS 486 Cb -0.15 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 3jx2 s LYS 486 CO 0.05 -0.10 0.18 -0.65 -0.92 0.00 0.00 175.35 173.90 3jx2 s GLN 487 N 1.33 3.36 0.53 1.68 -0.21 -0.23 -4.94 119.66 121.19 3jx2 s GLN 487 Ca 0.41 -0.42 0.43 0.00 0.02 0.00 0.00 55.36 55.79 3jx2 s GLN 487 Cb -0.18 -3.02 1.63 0.00 1.00 0.00 0.00 33.01 32.44 3jx2 s GLN 487 CO 0.18 0.63 1.65 -1.35 -2.12 0.00 0.00 175.29 174.28 3jx2 h PRO 488 N 3.44 0.02 0.00 2.91 0.11 -1.98 1.08 132.00 137.59 3jx2 h PRO 488 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jx2 h PRO 488 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jx2 h PRO 488 CO 0.72 0.01 0.08 0.22 -0.21 0.00 0.00 178.00 178.82 3jx2 h ASP 489 N 0.02 0.00 0.00 -2.05 -0.00 -2.03 -3.45 116.42 108.91 3jx2 h ASP 489 Ca 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.84 3jx2 h ASP 489 Cb 3.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 42.45 3jx2 h ASP 489 CO -0.09 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.76 3jx2 n GLY 490 N -1.13 2.03 0.00 -0.78 0.00 0.37 -5.03 105.19 100.65 3jx2 n GLY 490 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3jx2 n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx2 n SER 491 N 0.00 0.00 -3.82 1.61 3.41 -1.24 -4.85 113.62 108.73 3jx2 n SER 491 Ca 0.00 -0.26 -0.19 0.00 -0.26 0.00 0.00 58.87 58.16 3jx2 n SER 491 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3jx2 n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jx2 s THR 492 N 1.02 0.28 -0.12 6.66 2.01 -1.26 -1.06 115.64 123.16 3jx2 s THR 492 Ca 0.00 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 3jx2 s THR 492 Cb 0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3jx2 s THR 492 CO 0.00 0.18 0.12 -0.22 -0.69 0.00 0.00 174.62 174.01 3jx2 s LEU 493 N 1.21 4.27 0.00 4.42 2.96 0.56 -4.94 118.68 127.16 3jx2 s LEU 493 Ca -0.07 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3jx2 s LEU 493 Cb -0.13 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.52 3jx2 s LEU 493 CO -0.02 0.39 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 3jx2 n GLY 494 N 2.12 -1.61 3.60 7.98 0.00 -1.26 -0.95 105.19 115.07 3jx2 n GLY 494 Ca -0.20 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3jx2 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx2 s ASP 495 N -4.00 6.40 0.65 1.61 -1.08 -0.68 -4.81 116.67 114.75 3jx2 s ASP 495 Ca 0.00 0.63 0.42 0.00 -0.52 0.00 0.00 52.55 53.07 3jx2 s ASP 495 Cb 0.00 -2.54 2.30 0.00 -1.46 0.00 0.00 42.92 41.21 3jx2 s ASP 495 CO 0.00 -1.42 2.34 -0.65 0.52 0.00 0.00 175.17 175.96 3jx2 h PRO 496 N 10.30 0.00 0.00 4.34 0.11 -1.79 -2.57 132.00 142.40 3jx2 h PRO 496 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jx2 h PRO 496 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jx2 h PRO 496 CO 1.11 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 3jx2 n ALA 497 N -2.13 1.08 -0.02 -0.75 0.00 -1.26 -3.22 120.51 114.22 3jx2 n ALA 497 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3jx2 n ALA 497 Cb 0.08 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3jx2 n ALA 497 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jx2 n ASN 498 N -2.10 2.00 0.27 0.00 3.02 -0.97 -4.82 115.26 112.67 3jx2 n ASN 498 Ca -0.01 -2.01 -0.18 0.00 -0.03 0.00 0.00 54.58 52.35 3jx2 n ASN 498 Cb 0.04 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 3jx2 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx2 h VAL 499 N 0.00 0.00 -0.91 2.41 2.07 -1.70 0.13 116.25 118.26 3jx2 h VAL 499 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3jx2 h VAL 499 Cb 0.51 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 3jx2 h VAL 499 CO 0.00 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 177.49 3jx2 h GLN 500 N -0.99 0.70 -0.19 1.57 4.15 -1.88 -0.09 115.11 118.39 3jx2 h GLN 500 Ca -0.06 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 3jx2 h GLN 500 Cb 0.87 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 3jx2 h GLN 500 CO -0.09 0.46 -0.23 0.35 -1.93 0.00 0.00 178.83 177.38 3jx2 h PHE 501 N 0.72 0.60 -0.89 3.99 3.57 -1.82 -1.99 116.94 121.13 3jx2 h PHE 501 Ca 0.50 -0.19 0.13 0.00 3.53 0.00 0.00 57.97 61.94 3jx2 h PHE 501 Cb 0.69 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 3jx2 h PHE 501 CO -0.05 0.88 0.57 1.15 -2.23 0.00 0.00 178.31 178.62 3jx2 h THR 502 N 0.15 0.86 -0.13 4.41 2.02 0.08 -0.07 112.91 120.24 3jx2 h THR 502 Ca 0.02 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 3jx2 h THR 502 Cb 0.80 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3jx2 h THR 502 CO 0.06 0.13 -0.53 -0.33 0.37 0.00 0.00 175.52 175.22 3jx2 h GLU 503 N 0.73 0.36 0.00 6.66 5.08 -0.81 -1.16 114.58 125.44 3jx2 h GLU 503 Ca 0.44 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3jx2 h GLU 503 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3jx2 h GLU 503 CO -0.20 0.80 -0.21 0.82 -1.00 0.00 0.00 179.01 179.23 3jx2 h ILE 504 N 0.28 0.44 -0.06 3.13 2.04 -0.43 -0.42 117.51 122.50 3jx2 h ILE 504 Ca 0.01 -1.21 -0.25 0.00 1.00 0.00 0.00 64.86 64.40 3jx2 h ILE 504 Cb 1.03 1.89 0.02 0.00 -0.74 0.00 0.00 36.82 39.01 3jx2 h ILE 504 CO 0.09 0.20 -0.94 0.00 0.00 0.00 0.00 178.15 177.50 3jx2 h ILE 506 N 0.45 1.36 0.00 0.00 2.04 -1.09 0.31 117.51 120.58 3jx2 h ILE 506 Ca -0.10 -1.94 -0.04 0.00 1.00 0.00 0.00 64.86 63.78 3jx2 h ILE 506 Cb 1.58 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3jx2 h ILE 506 CO 0.19 0.58 -0.18 -0.61 0.00 0.00 0.00 178.15 178.13 3jx2 h GLN 507 N 0.27 0.00 0.00 2.37 4.15 -1.10 -3.04 115.11 117.76 3jx2 h GLN 507 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3jx2 h GLN 507 Cb 1.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3jx2 h GLN 507 CO 0.10 0.18 -0.90 1.96 -1.93 0.00 0.00 178.83 178.25 3jx2 h GLN 508 N 0.00 0.00 0.00 1.69 1.08 -1.16 -3.49 115.11 113.23 3jx2 h GLN 508 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3jx2 h GLN 508 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3jx2 h GLN 508 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 3jx2 n GLY 509 N 1.17 0.57 3.59 3.46 0.00 -0.45 -4.97 105.19 108.56 3jx2 n GLY 509 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 3jx2 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx2 n TRP 510 N 0.00 1.36 -3.03 1.61 -0.00 0.97 -4.93 117.44 113.41 3jx2 n TRP 510 Ca 0.00 0.66 -0.42 0.00 -0.00 0.00 0.00 57.50 57.74 3jx2 n TRP 510 Cb 0.00 -2.29 -0.06 0.00 -0.00 0.00 0.00 31.31 28.96 3jx2 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx2 s LYS 511 N -0.59 3.54 -0.08 5.87 1.02 -1.26 -4.48 119.74 123.76 3jx2 s LYS 511 Ca 0.70 -0.02 -0.23 0.00 0.02 0.00 0.00 55.97 56.45 3jx2 s LYS 511 Cb -0.81 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 32.59 3jx2 s LYS 511 CO 0.53 -0.93 0.68 0.00 -0.92 0.00 0.00 175.35 174.72 3jx2 s ALA 512 N 2.99 3.36 -0.99 5.17 0.00 -1.26 -4.94 121.76 126.10 3jx2 s ALA 512 Ca 0.27 0.09 0.15 0.00 0.00 0.00 0.00 51.96 52.47 3jx2 s ALA 512 Cb -0.13 -2.93 0.65 0.00 0.00 0.00 0.00 23.12 20.70 3jx2 s ALA 512 CO 0.18 -0.12 1.49 -2.30 0.00 0.00 0.00 175.76 175.01 3jx2 n PRO 513 N 3.85 0.01 -3.62 0.00 -0.02 -1.26 -4.90 135.00 129.06 3jx2 n PRO 513 Ca -0.02 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 3jx2 n PRO 513 Cb 0.51 -1.51 0.05 0.00 -0.02 0.00 0.00 33.50 32.54 3jx2 n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jx2 n ARG 514 N -1.52 -5.69 -3.67 -0.52 1.74 -1.26 -5.02 116.66 100.72 3jx2 n ARG 514 Ca 0.04 0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 57.58 3jx2 n ARG 514 Cb 0.18 -5.47 -0.00 0.00 -1.02 0.00 0.00 32.46 26.15 3jx2 n ARG 514 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3jx2 s GLY 515 N -4.23 2.21 0.35 -0.13 0.00 -1.26 -5.03 107.32 99.22 3jx2 s GLY 515 Ca 0.08 -1.57 0.17 0.00 0.00 0.00 0.00 44.72 43.40 3jx2 s GLY 515 CO 0.78 -1.84 1.69 -0.09 0.00 0.00 0.00 173.10 173.64 3jx2 h ARG 516 N 0.73 0.00 -1.37 2.90 2.43 -1.93 -3.37 114.38 113.76 3jx2 h ARG 516 Ca -0.37 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.36 3jx2 h ARG 516 Cb 1.29 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.44 3jx2 h ARG 516 CO 0.55 0.43 -1.07 1.19 -1.51 0.00 0.00 179.97 179.55 3jx2 n PHE 517 N -3.55 1.61 -2.77 2.20 3.01 -1.26 -4.06 117.46 112.64 3jx2 n PHE 517 Ca -0.00 -3.13 -0.43 0.00 1.01 0.00 0.00 57.45 54.91 3jx2 n PHE 517 Cb 0.54 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 3jx2 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx2 s ASP 518 N -3.10 6.78 -0.03 4.37 1.01 -1.26 -4.91 116.67 119.53 3jx2 s ASP 518 Ca 0.35 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 54.10 3jx2 s ASP 518 Cb 0.42 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.80 3jx2 s ASP 518 CO -0.04 -0.81 1.69 -0.69 0.21 0.00 0.00 175.17 175.53 3jx2 s VAL 519 N 3.42 3.47 0.58 -1.27 1.01 -1.26 -0.40 120.40 125.96 3jx2 s VAL 519 Ca 0.40 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 3jx2 s VAL 519 Cb -0.13 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3jx2 s VAL 519 CO 0.16 -0.05 1.32 -0.76 0.00 0.00 0.00 175.10 175.77 3jx2 s LEU 520 N 3.96 3.74 0.57 3.92 1.43 -0.20 -4.88 118.68 127.22 3jx2 s LEU 520 Ca 0.75 2.68 -0.16 0.00 -1.03 0.00 0.00 54.13 56.37 3jx2 s LEU 520 Cb -0.35 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.40 3jx2 s LEU 520 CO 0.31 -1.71 1.03 -2.16 0.23 0.00 0.00 176.35 174.05 3jx2 s PRO 521 N -3.10 3.55 0.13 1.29 0.04 -1.26 -4.76 135.00 130.89 3jx2 s PRO 521 Ca 0.76 1.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 3jx2 s PRO 521 Cb -0.38 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 3jx2 s PRO 521 CO 0.43 -0.61 0.67 -0.51 0.04 0.00 0.00 177.00 177.02 3jx2 s LEU 522 N -4.37 4.52 -0.39 -3.56 1.43 0.87 -4.87 118.68 112.32 3jx2 s LEU 522 Ca 0.62 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 3jx2 s LEU 522 Cb -0.14 -3.17 0.11 0.00 0.03 0.00 0.00 46.19 43.02 3jx2 s LEU 522 CO 0.35 0.21 0.13 -0.76 0.23 0.00 0.00 176.35 176.51 3jx2 s LEU 523 N -1.30 4.90 -0.18 1.79 1.43 -1.26 -2.18 118.68 121.88 3jx2 s LEU 523 Ca 0.34 -2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 51.17 3jx2 s LEU 523 Cb -0.20 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3jx2 s LEU 523 CO 0.22 -0.42 0.02 -0.76 0.23 0.00 0.00 176.35 175.64 3jx2 s LEU 524 N 0.84 3.50 -0.17 1.79 1.43 -0.57 -1.16 118.68 124.33 3jx2 s LEU 524 Ca 0.11 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3jx2 s LEU 524 Cb -0.21 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3jx2 s LEU 524 CO -0.06 0.14 -0.19 -1.58 0.23 0.00 0.00 176.35 174.89 3jx2 s GLN 525 N 0.55 3.03 -0.08 1.70 0.74 -0.45 -1.76 119.66 123.40 3jx2 s GLN 525 Ca 0.00 -0.82 0.01 0.00 0.05 0.00 0.00 55.36 54.61 3jx2 s GLN 525 Cb -0.14 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 3jx2 s GLN 525 CO 0.02 -0.16 -0.10 0.00 -0.55 0.00 0.00 175.29 174.49 3jx2 s ALA 526 N 1.19 2.81 -1.45 1.58 0.00 -1.26 -1.11 121.76 123.52 3jx2 s ALA 526 Ca 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 3jx2 s ALA 526 Cb -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3jx2 s ALA 526 CO -0.10 0.49 0.37 -1.71 0.00 0.00 0.00 175.76 174.81 3jx2 n ASN 527 N 2.55 -5.14 -0.43 0.00 4.05 -1.22 -0.31 115.26 114.77 3jx2 n ASN 527 Ca -0.18 -0.18 -0.06 0.00 0.45 0.00 0.00 54.58 54.62 3jx2 n ASN 527 Cb 0.53 -4.22 -0.02 0.00 1.23 0.00 0.00 39.78 37.29 3jx2 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx2 n GLY 528 N -1.23 0.73 3.88 8.20 0.00 0.37 -4.46 105.19 112.68 3jx2 n GLY 528 Ca -0.12 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3jx2 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx2 s ASN 529 N -2.43 4.94 0.28 1.61 0.01 0.58 -4.84 114.94 115.08 3jx2 s ASN 529 Ca 0.00 0.98 -0.29 0.00 -0.71 0.00 0.00 52.86 52.84 3jx2 s ASN 529 Cb 0.00 -1.64 -0.14 0.00 0.41 0.00 0.00 41.25 39.89 3jx2 s ASN 529 CO 0.00 -1.65 1.21 0.47 -1.51 0.00 0.00 177.10 175.62 3jx2 n ASP 530 N -3.18 2.08 -4.79 -1.22 10.43 -1.26 -4.48 116.55 114.12 3jx2 n ASP 530 Ca 0.07 1.17 -0.34 0.00 2.57 0.00 0.00 54.79 58.27 3jx2 n ASP 530 Cb 0.59 -1.37 -0.01 0.00 1.84 0.00 0.00 41.12 42.17 3jx2 n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jx2 s PRO 531 N -1.19 3.49 0.13 -0.24 0.04 -1.26 -4.72 135.00 131.24 3jx2 s PRO 531 Ca 0.62 1.35 0.07 0.00 0.04 0.00 0.00 61.00 63.09 3jx2 s PRO 531 Cb -0.67 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3jx2 s PRO 531 CO 0.57 -0.69 -0.18 -1.21 0.04 0.00 0.00 177.00 175.53 3jx2 s GLU 532 N -3.59 1.13 0.22 4.56 2.02 -0.72 -4.88 118.70 117.44 3jx2 s GLU 532 Ca 0.67 -1.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 3jx2 s GLU 532 Cb -0.18 -1.21 -0.08 0.00 0.10 0.00 0.00 34.13 32.77 3jx2 s GLU 532 CO 0.28 0.26 0.68 -0.51 0.02 0.00 0.00 175.26 175.99 3jx2 s LEU 533 N -2.28 4.28 -0.06 1.80 1.43 -1.26 -1.51 118.68 121.08 3jx2 s LEU 533 Ca 0.09 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 3jx2 s LEU 533 Cb -0.07 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3jx2 s LEU 533 CO 0.05 0.00 0.28 -0.36 0.23 0.00 0.00 176.35 176.55 3jx2 s PHE 534 N -1.61 -0.23 -0.23 0.29 0.40 -0.93 -4.95 117.98 110.73 3jx2 s PHE 534 Ca 0.44 0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 57.15 3jx2 s PHE 534 Cb -0.15 0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.42 3jx2 s PHE 534 CO 0.20 -0.25 0.21 -1.14 0.70 0.00 0.00 175.22 174.93 3jx2 s GLN 535 N -0.55 4.10 0.24 0.44 2.00 -1.26 -0.09 119.66 124.53 3jx2 s GLN 535 Ca -0.07 -0.17 -0.31 0.00 -2.00 0.00 0.00 55.36 52.81 3jx2 s GLN 535 Cb -0.04 -3.53 -0.12 0.00 0.80 0.00 0.00 33.01 30.12 3jx2 s GLN 535 CO 0.02 0.06 1.64 -0.89 -0.50 0.00 0.00 175.29 175.62 3jx2 n ILE 536 N 4.25 0.45 -1.66 -2.34 5.41 -1.26 -4.86 119.36 119.36 3jx2 n ILE 536 Ca -0.14 -0.11 -0.51 0.00 1.00 0.00 0.00 62.75 62.99 3jx2 n ILE 536 Cb 0.52 -1.90 -0.06 0.00 -0.71 0.00 0.00 39.64 37.49 3jx2 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jx2 n PRO 537 N 3.09 1.61 -0.26 0.38 -0.02 -1.26 -4.78 135.00 133.76 3jx2 n PRO 537 Ca 0.13 0.58 0.23 0.00 -2.02 0.00 0.00 63.50 62.43 3jx2 n PRO 537 Cb 0.35 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.09 3jx2 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx2 h PRO 538 N 6.50 0.28 0.00 0.52 0.11 -1.95 0.19 132.00 137.64 3jx2 h PRO 538 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx2 h PRO 538 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jx2 h PRO 538 CO 0.88 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 3jx2 n GLU 539 N -4.47 0.40 0.01 1.05 0.00 -1.26 -1.98 120.64 114.39 3jx2 n GLU 539 Ca 0.21 0.06 0.11 0.00 0.00 0.00 0.00 57.16 57.54 3jx2 n GLU 539 Cb 0.85 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.79 3jx2 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx2 n LEU 540 N -1.23 0.72 -4.40 -1.84 4.77 0.65 -4.73 117.00 110.93 3jx2 n LEU 540 Ca 0.12 -0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.42 3jx2 n LEU 540 Cb 0.16 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3jx2 n LEU 540 CO 0.16 0.15 0.74 -0.69 -1.33 0.00 0.00 177.39 176.42 3jx2 s VAL 541 N -3.09 5.09 -0.13 4.08 1.01 -0.84 -4.77 120.40 121.76 3jx2 s VAL 541 Ca 0.06 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 3jx2 s VAL 541 Cb 0.16 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3jx2 s VAL 541 CO 0.82 -1.30 1.56 -0.22 0.00 0.00 0.00 175.10 175.96 3jx2 s LEU 542 N 1.67 4.17 0.14 3.92 2.96 -1.26 -5.00 118.68 125.27 3jx2 s LEU 542 Ca 0.26 1.94 0.11 0.00 -0.22 0.00 0.00 54.13 56.23 3jx2 s LEU 542 Cb -0.07 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3jx2 s LEU 542 CO -0.09 -0.99 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.08 3jx2 s GLU 543 N 4.12 1.45 -0.19 1.98 2.02 -1.26 -0.69 118.70 126.11 3jx2 s GLU 543 Ca 0.69 -1.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 3jx2 s GLU 543 Cb -0.28 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.05 3jx2 s GLU 543 CO 0.26 0.44 -0.14 0.08 0.02 0.00 0.00 175.26 175.92 3jx2 s VAL 544 N -1.19 2.56 0.28 2.63 1.01 0.10 -4.92 120.40 120.88 3jx2 s VAL 544 Ca 0.16 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3jx2 s VAL 544 Cb -0.10 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 3jx2 s VAL 544 CO 0.07 0.50 1.32 -2.84 0.00 0.00 0.00 175.10 174.15 3jx2 s PRO 545 N 1.34 4.36 -0.35 2.72 0.02 -1.26 -1.49 135.00 140.35 3jx2 s PRO 545 Ca 0.05 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 3jx2 s PRO 545 Cb -0.14 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 3jx2 s PRO 545 CO -0.09 -0.22 0.41 0.42 -0.33 0.00 0.00 177.00 177.19 3jx2 s ILE 546 N -0.65 5.12 0.25 2.83 -1.09 0.83 -4.86 121.20 123.62 3jx2 s ILE 546 Ca 0.52 0.13 0.07 0.00 -2.23 0.00 0.00 60.65 59.14 3jx2 s ILE 546 Cb -0.39 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3jx2 s ILE 546 CO 0.47 -0.14 -0.09 0.00 -1.23 0.00 0.00 174.94 173.95 3jx2 s ARG 547 N 2.14 1.45 -0.07 2.79 3.03 -1.26 -4.20 118.95 122.84 3jx2 s ARG 547 Ca 0.14 -1.70 0.01 0.00 2.03 0.00 0.00 55.73 56.21 3jx2 s ARG 547 Cb -0.16 -1.10 -0.03 0.00 -1.03 0.00 0.00 34.95 32.63 3jx2 s ARG 547 CO 0.12 0.08 -0.09 -1.58 -1.13 0.00 0.00 175.30 172.71 3jx2 s HIS 548 N -3.03 2.89 -0.89 5.89 2.46 -1.26 -4.33 115.29 117.02 3jx2 s HIS 548 Ca 0.27 -0.04 0.17 0.00 0.47 0.00 0.00 55.06 55.93 3jx2 s HIS 548 Cb 0.02 -1.70 0.71 0.00 -0.13 0.00 0.00 32.58 31.48 3jx2 s HIS 548 CO 0.10 0.28 1.53 -0.35 -2.47 0.00 0.00 174.74 173.83 3jx2 n PRO 549 N 2.31 0.04 0.00 2.88 -0.04 -1.26 -3.77 135.00 135.16 3jx2 n PRO 549 Ca -0.18 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3jx2 n PRO 549 Cb 0.53 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3jx2 n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3jx2 n LYS 550 N -1.66 0.38 -2.79 0.54 5.02 -1.26 -5.00 118.16 113.40 3jx2 n LYS 550 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 3jx2 n LYS 550 Cb 0.19 -0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 3jx2 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx2 s PHE 551 N -1.95 2.82 0.33 2.13 2.99 -1.25 -4.90 117.98 118.16 3jx2 s PHE 551 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 56.93 57.24 3jx2 s PHE 551 Cb 0.00 -4.10 0.59 0.00 0.00 0.00 0.00 43.02 39.51 3jx2 s PHE 551 CO 0.00 -1.27 1.79 0.22 -0.00 0.00 0.00 175.22 175.96 3jx2 h ASP 552 N 9.24 0.26 0.77 1.36 3.58 -1.95 -3.02 116.42 126.67 3jx2 h ASP 552 Ca -0.25 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.12 3jx2 h ASP 552 Cb 1.07 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.05 3jx2 h ASP 552 CO 1.08 0.54 0.00 -2.67 -2.88 0.00 0.00 179.24 175.31 3jx2 n TRP 553 N -4.14 0.77 -0.12 0.28 4.27 -1.26 -3.89 117.44 113.34 3jx2 n TRP 553 Ca -0.01 0.29 0.09 0.00 -3.89 0.00 0.00 57.50 53.98 3jx2 n TRP 553 Cb 0.38 -0.98 0.43 0.00 -1.36 0.00 0.00 31.31 29.78 3jx2 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx2 h PHE 554 N 0.00 0.59 0.00 -2.67 3.57 -1.90 -1.87 116.94 114.65 3jx2 h PHE 554 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3jx2 h PHE 554 Cb 0.38 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3jx2 h PHE 554 CO 0.00 0.30 -0.28 1.57 -2.23 0.00 0.00 178.31 177.67 3jx2 h LYS 555 N 0.57 0.00 0.00 1.11 2.10 -1.73 -2.57 116.57 116.05 3jx2 h LYS 555 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3jx2 h LYS 555 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3jx2 h LYS 555 CO -0.09 0.28 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 3jx2 n ASP 556 N -3.56 0.02 0.16 7.07 8.00 -0.70 -2.01 116.55 125.53 3jx2 n ASP 556 Ca -0.01 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.13 3jx2 n ASP 556 Cb 0.43 -0.51 0.46 0.00 -0.02 0.00 0.00 41.12 41.47 3jx2 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx2 h LEU 557 N 0.00 0.00 0.02 0.64 3.38 -1.60 -3.47 115.31 114.28 3jx2 h LEU 557 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jx2 h LEU 557 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3jx2 h LEU 557 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 3jx2 n GLY 558 N 0.57 0.41 3.78 0.83 0.00 -0.85 -5.02 105.19 104.90 3jx2 n GLY 558 Ca 0.03 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 3jx2 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx2 s LEU 559 N -0.10 4.52 0.03 0.99 1.43 -1.26 -5.00 118.68 119.29 3jx2 s LEU 559 Ca 0.00 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 3jx2 s LEU 559 Cb 0.00 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 43.13 3jx2 s LEU 559 CO 0.00 0.17 0.23 -1.59 0.23 0.00 0.00 176.35 175.39 3jx2 s LYS 560 N -0.76 0.70 0.07 1.70 -2.85 -1.26 -0.12 119.74 117.22 3jx2 s LYS 560 Ca 0.34 -0.53 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 3jx2 s LYS 560 Cb -0.21 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 3jx2 s LYS 560 CO 0.22 -0.20 -0.05 -0.46 0.10 0.00 0.00 175.35 174.95 3jx2 s TRP 561 N -2.32 0.71 0.44 1.78 -0.11 -0.55 -4.95 118.94 113.94 3jx2 s TRP 561 Ca -0.07 -0.89 -0.14 0.00 1.22 0.00 0.00 56.10 56.23 3jx2 s TRP 561 Cb -0.02 -0.44 -0.08 0.00 -1.50 0.00 0.00 33.47 31.43 3jx2 s TRP 561 CO -0.02 -0.21 0.86 1.52 -4.62 0.00 0.00 176.95 174.47 3jx2 s TYR 562 N -3.31 3.44 -0.24 5.86 -0.85 -1.26 0.02 117.35 121.02 3jx2 s TYR 562 Ca 0.06 1.26 0.18 0.00 -0.52 0.00 0.00 57.07 58.05 3jx2 s TYR 562 Cb 0.03 -2.61 0.19 0.00 0.38 0.00 0.00 41.96 39.95 3jx2 s TYR 562 CO -0.05 -0.19 1.51 0.78 -1.52 0.00 0.00 175.55 176.08 3jx2 h GLY 563 N 1.26 0.00 -7.65 5.49 0.00 -1.26 -3.45 103.07 97.46 3jx2 h GLY 563 Ca -0.47 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.16 3jx2 h GLY 563 CO 0.63 0.00 -0.61 -2.27 0.00 0.00 0.00 176.54 174.29 3jx2 s LEU 564 N -6.39 4.44 -0.32 3.11 2.96 -1.26 -4.57 118.68 116.65 3jx2 s LEU 564 Ca 0.05 -1.35 -0.25 0.00 -0.22 0.00 0.00 54.13 52.36 3jx2 s LEU 564 Cb 0.07 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3jx2 s LEU 564 CO 0.72 -0.37 0.86 -2.16 -1.32 0.00 0.00 176.35 174.08 3jx2 s PRO 565 N 1.33 3.97 -0.30 0.98 0.04 -1.26 -4.70 135.00 135.05 3jx2 s PRO 565 Ca -0.01 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 3jx2 s PRO 565 Cb -0.20 -3.74 0.12 0.00 0.04 0.00 0.00 34.50 30.72 3jx2 s PRO 565 CO 0.01 -0.76 0.21 0.00 0.04 0.00 0.00 177.00 176.50 3jx2 s ALA 566 N 3.16 0.21 0.08 8.56 0.00 -1.26 -2.46 121.76 130.05 3jx2 s ALA 566 Ca 0.36 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3jx2 s ALA 566 Cb -0.13 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3jx2 s ALA 566 CO 0.14 -1.74 0.98 0.08 0.00 0.00 0.00 175.76 175.21 3jx2 s VAL 567 N 2.06 4.58 0.00 0.00 1.01 0.22 -1.58 120.40 126.69 3jx2 s VAL 567 Ca 0.10 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.13 3jx2 s VAL 567 Cb -0.16 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3jx2 s VAL 567 CO -0.30 0.27 0.62 -1.54 0.00 0.00 0.00 175.10 174.15 3jx2 n SER 568 N 3.12 0.55 -0.62 3.32 3.41 -0.54 -0.70 113.62 122.16 3jx2 n SER 568 Ca 0.04 -1.27 0.05 0.00 -0.26 0.00 0.00 58.87 57.43 3jx2 n SER 568 Cb 0.50 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.59 3jx2 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx2 n ASN 569 N -0.14 2.89 -4.97 4.04 6.94 -1.22 -4.28 115.26 118.52 3jx2 n ASN 569 Ca 0.00 -2.00 -0.21 0.00 -0.02 0.00 0.00 54.58 52.35 3jx2 n ASN 569 Cb 0.42 -0.22 0.01 0.00 -2.36 0.00 0.00 39.78 37.62 3jx2 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx2 s MET 570 N -1.00 3.06 -0.14 -3.83 -1.94 -1.26 -4.43 119.30 109.76 3jx2 s MET 570 Ca 0.22 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 3jx2 s MET 570 Cb 0.12 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.27 3jx2 s MET 570 CO 0.15 -0.13 -0.19 -1.17 -0.01 0.00 0.00 175.02 173.67 3jx2 s LEU 571 N -4.38 2.29 -0.24 -0.03 0.20 -0.25 -4.35 118.68 111.93 3jx2 s LEU 571 Ca 0.47 -0.53 -0.12 0.00 0.69 0.00 0.00 54.13 54.65 3jx2 s LEU 571 Cb -0.10 -1.49 -0.05 0.00 -0.43 0.00 0.00 46.19 44.12 3jx2 s LEU 571 CO 0.35 0.10 0.22 -0.22 -0.29 0.00 0.00 176.35 176.50 3jx2 s LEU 572 N 0.70 4.12 -0.24 -0.68 2.96 -0.12 -0.94 118.68 124.47 3jx2 s LEU 572 Ca -0.09 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3jx2 s LEU 572 Cb -0.16 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3jx2 s LEU 572 CO 0.01 0.02 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.33 3jx2 s GLU 573 N 1.17 3.10 -0.06 1.98 2.12 -0.44 -0.02 118.70 126.56 3jx2 s GLU 573 Ca 0.10 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.66 3jx2 s GLU 573 Cb -0.14 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.20 3jx2 s GLU 573 CO 0.06 -0.32 -0.20 0.42 -0.54 0.00 0.00 175.26 174.68 3jx2 s ILE 574 N 1.42 1.68 -1.46 -3.70 1.01 -0.29 -2.26 121.20 117.60 3jx2 s ILE 574 Ca 0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3jx2 s ILE 574 Cb -0.16 -1.45 0.07 0.00 0.01 0.00 0.00 42.46 40.93 3jx2 s ILE 574 CO -0.03 0.48 0.17 0.61 0.00 0.00 0.00 174.94 176.17 3jx2 n GLY 575 N 3.29 -0.19 3.26 6.18 0.00 -1.26 0.77 105.19 117.24 3jx2 n GLY 575 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3jx2 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx2 n GLY 576 N -1.94 1.45 3.85 -0.02 0.00 -1.26 -3.61 105.19 103.66 3jx2 n GLY 576 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3jx2 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx2 s LEU 577 N 0.00 4.35 -0.25 0.99 1.43 0.23 -4.91 118.68 120.52 3jx2 s LEU 577 Ca 0.00 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3jx2 s LEU 577 Cb 0.00 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 43.09 3jx2 s LEU 577 CO 0.00 0.13 -0.09 -1.61 0.23 0.00 0.00 176.35 175.01 3jx2 s GLU 578 N -1.92 2.66 -0.70 1.70 2.02 -1.26 -1.14 118.70 120.06 3jx2 s GLU 578 Ca 0.36 -1.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 3jx2 s GLU 578 Cb -0.15 -2.92 0.18 0.00 0.10 0.00 0.00 34.13 31.34 3jx2 s GLU 578 CO 0.19 -0.44 0.60 -0.06 0.02 0.00 0.00 175.26 175.56 3jx2 s PHE 579 N 1.25 3.57 -0.48 1.61 0.40 0.98 -0.28 117.98 125.03 3jx2 s PHE 579 Ca -0.02 -2.07 0.26 0.00 -0.60 0.00 0.00 56.93 54.49 3jx2 s PHE 579 Cb -0.17 -3.62 0.94 0.00 0.51 0.00 0.00 43.02 40.67 3jx2 s PHE 579 CO -0.05 -0.96 1.76 0.66 0.70 0.00 0.00 175.22 177.33 3jx2 h SER 580 N 7.82 0.00 -3.53 1.36 4.64 -1.81 -0.30 113.55 121.73 3jx2 h SER 580 Ca -0.01 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.67 3jx2 h SER 580 Cb 1.03 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.75 3jx2 h SER 580 CO 0.79 0.00 -0.81 0.00 -0.87 0.00 0.00 176.83 175.94 3jx2 s ALA 581 N -3.29 2.17 -0.41 5.18 0.00 -1.10 -4.62 121.76 119.70 3jx2 s ALA 581 Ca 0.06 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.74 3jx2 s ALA 581 Cb 0.10 -1.37 0.37 0.00 0.00 0.00 0.00 23.12 22.22 3jx2 s ALA 581 CO 0.49 -0.91 1.17 0.00 0.00 0.00 0.00 175.76 176.51 3jx2 n PRO 583 N -0.11 2.03 -4.11 0.00 -0.04 -1.22 -4.69 135.00 126.87 3jx2 n PRO 583 Ca 0.04 0.72 -0.10 0.00 -0.04 0.00 0.00 63.50 64.12 3jx2 n PRO 583 Cb 0.77 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.75 3jx2 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx2 s PHE 584 N -0.06 0.71 0.00 0.54 -0.12 0.12 -2.20 117.98 116.97 3jx2 s PHE 584 Ca 0.68 -0.83 -0.16 0.00 -0.05 0.00 0.00 56.93 56.58 3jx2 s PHE 584 Cb -0.65 -0.44 0.03 0.00 -0.63 0.00 0.00 43.02 41.33 3jx2 s PHE 584 CO 0.50 -0.19 0.34 -1.54 -0.05 0.00 0.00 175.22 174.28 3jx2 s SER 585 N -2.57 -0.21 0.00 1.98 1.04 -0.38 0.73 113.70 114.29 3jx2 s SER 585 Ca 0.04 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3jx2 s SER 585 Cb 0.01 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3jx2 s SER 585 CO -0.04 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3jx2 n GLY 586 N 1.03 3.09 3.30 7.32 0.00 -1.03 -2.06 105.19 116.84 3jx2 n GLY 586 Ca -0.21 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 3jx2 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx2 s TRP 587 N 2.16 -0.17 0.38 1.61 -2.14 -1.26 -4.56 118.94 114.96 3jx2 s TRP 587 Ca 0.00 -0.14 -0.24 0.00 2.66 0.00 0.00 56.10 58.37 3jx2 s TRP 587 Cb 0.00 0.22 -0.09 0.00 -3.10 0.00 0.00 33.47 30.50 3jx2 s TRP 587 CO 0.00 -0.67 1.03 0.71 -2.66 0.00 0.00 176.95 175.35 3jx2 s TYR 588 N -3.71 3.35 0.03 1.66 1.51 -1.26 -4.90 117.35 114.03 3jx2 s TYR 588 Ca 0.03 1.67 -0.17 0.00 -1.01 0.00 0.00 57.07 57.58 3jx2 s TYR 588 Cb 0.02 -3.08 -0.06 0.00 -0.11 0.00 0.00 41.96 38.73 3jx2 s TYR 588 CO -0.11 -0.46 0.50 1.41 -1.11 0.00 0.00 175.55 175.77 3jx2 s MET 589 N -2.43 4.09 0.24 -0.62 -2.45 -1.26 -1.07 119.30 115.80 3jx2 s MET 589 Ca 0.56 0.58 -0.05 0.00 -1.25 0.00 0.00 55.69 55.54 3jx2 s MET 589 Cb -0.21 -3.25 0.42 0.00 1.25 0.00 0.00 34.83 33.05 3jx2 s MET 589 CO 0.27 0.63 1.75 0.78 1.05 0.00 0.00 175.02 179.50 3jx2 h GLY 590 N 4.77 1.15 1.22 2.11 0.00 -0.79 -2.29 103.07 109.25 3jx2 h GLY 590 Ca -0.50 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 46.74 3jx2 h GLY 590 CO 0.63 -0.03 0.29 -0.91 0.00 0.00 0.00 176.54 176.53 3jx2 h THR 591 N 0.54 0.61 -0.94 4.70 1.35 -1.93 -1.58 112.91 115.66 3jx2 h THR 591 Ca 0.40 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.28 3jx2 h THR 591 Cb 0.53 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 3jx2 h THR 591 CO -0.34 0.00 0.62 -0.33 -0.25 0.00 0.00 175.52 175.22 3jx2 h GLU 592 N 0.00 1.20 0.00 4.72 5.08 -1.82 0.11 114.58 123.87 3jx2 h GLU 592 Ca 0.16 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3jx2 h GLU 592 Cb 0.75 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3jx2 h GLU 592 CO -0.00 0.79 -0.72 0.82 -1.00 0.00 0.00 179.01 178.90 3jx2 h ILE 593 N 1.24 0.51 -0.41 3.13 2.04 -1.54 -1.86 117.51 120.62 3jx2 h ILE 593 Ca 0.35 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 3jx2 h ILE 593 Cb -0.09 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3jx2 h ILE 593 CO -0.09 0.17 -0.16 1.23 0.00 0.00 0.00 178.15 179.31 3jx2 h GLY 594 N -1.00 0.82 0.00 5.37 0.00 -1.34 -0.37 103.07 106.55 3jx2 h GLY 594 Ca -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 3jx2 h GLY 594 CO -0.09 0.60 -0.63 -0.62 0.00 0.00 0.00 176.54 175.80 3jx2 n VAL 595 N -4.14 1.43 -0.03 4.60 0.31 -0.04 -4.00 118.33 116.47 3jx2 n VAL 595 Ca 0.01 0.18 -0.04 0.00 -0.01 0.00 0.00 64.34 64.48 3jx2 n VAL 595 Cb 0.39 -2.35 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 3jx2 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jx2 h ARG 596 N -1.00 -0.06 -1.00 5.55 2.47 -1.38 -2.31 114.38 116.65 3jx2 h ARG 596 Ca -0.05 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3jx2 h ARG 596 Cb 0.63 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.91 3jx2 h ARG 596 CO -0.03 0.14 0.66 -0.91 0.56 0.00 0.00 179.97 180.39 3jx2 h ASN 597 N -1.01 1.13 0.30 7.04 2.35 -1.13 -2.38 115.58 121.89 3jx2 h ASN 597 Ca -0.01 -0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 3jx2 h ASN 597 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3jx2 h ASN 597 CO 0.01 0.80 -1.77 1.88 -1.65 0.00 0.00 177.43 176.70 3jx2 h TYR 598 N 1.33 0.42 0.00 1.19 0.99 -1.23 -2.16 116.97 117.51 3jx2 h TYR 598 Ca 0.38 -0.31 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3jx2 h TYR 598 Cb -0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.60 3jx2 h TYR 598 CO -0.00 1.51 -1.71 0.00 -0.00 0.00 0.00 178.16 177.96 3jx2 n ASP 600 N -2.09 1.65 -0.26 0.00 9.92 -0.90 -4.55 116.55 120.32 3jx2 n ASP 600 Ca -0.06 1.13 0.09 0.00 -0.53 0.00 0.00 54.79 55.42 3jx2 n ASP 600 Cb 0.47 -1.22 0.34 0.00 -0.64 0.00 0.00 41.12 40.08 3jx2 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3jx2 h ASN 601 N 4.23 0.71 -0.01 -2.24 2.35 -1.92 -0.77 115.58 117.93 3jx2 h ASN 601 Ca -0.46 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3jx2 h ASN 601 Cb 1.33 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3jx2 h ASN 601 CO 0.76 0.40 0.00 -1.54 -1.65 0.00 0.00 177.43 175.39 3jx2 n SER 602 N -4.54 0.69 0.00 5.81 3.41 -1.26 -4.68 113.62 113.05 3jx2 n SER 602 Ca 0.16 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 3jx2 n SER 602 Cb 0.38 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3jx2 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx2 n ARG 603 N -0.46 0.00 0.18 4.33 5.12 -0.31 -4.28 116.66 121.25 3jx2 n ARG 603 Ca 0.21 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.20 3jx2 n ARG 603 Cb 0.22 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 31.78 3jx2 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx2 h TYR 604 N 0.00 0.00 -6.08 -1.55 -1.99 -1.52 -3.41 116.97 102.43 3jx2 h TYR 604 Ca 0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 3jx2 h TYR 604 Cb 0.00 0.00 0.11 0.00 2.00 0.00 0.00 36.73 38.84 3jx2 h TYR 604 CO 0.00 0.36 -0.91 -1.71 -0.00 0.00 0.00 178.16 175.89 3jx2 n ASN 605 N -3.36 -5.62 -0.58 3.88 4.05 0.86 -4.91 115.26 109.58 3jx2 n ASN 605 Ca 0.01 -0.95 0.07 0.00 0.45 0.00 0.00 54.58 54.16 3jx2 n ASN 605 Cb 0.56 -3.71 0.06 0.00 1.23 0.00 0.00 39.78 37.92 3jx2 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx2 n ILE 606 N -3.96 0.00 -0.11 -1.44 -5.35 -0.52 -4.51 119.36 103.47 3jx2 n ILE 606 Ca -0.09 -0.49 -0.05 0.00 -0.27 0.00 0.00 62.75 61.85 3jx2 n ILE 606 Cb 0.59 1.30 0.02 0.00 -1.74 0.00 0.00 39.64 39.81 3jx2 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx2 h LEU 607 N 2.83 -0.20 -0.57 7.28 3.38 -1.87 -0.06 115.31 126.09 3jx2 h LEU 607 Ca 0.00 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3jx2 h LEU 607 Cb 0.61 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 3jx2 h LEU 607 CO 0.00 -0.06 0.06 -0.33 0.09 0.00 0.00 178.44 178.20 3jx2 h GLU 608 N 0.07 0.18 -0.32 1.13 5.08 -1.98 -1.28 114.58 117.45 3jx2 h GLU 608 Ca 0.18 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 3jx2 h GLU 608 Cb 0.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3jx2 h GLU 608 CO -0.32 0.12 -0.41 1.49 -1.00 0.00 0.00 179.01 178.88 3jx2 h GLU 609 N 0.18 0.85 -0.16 2.33 4.81 -1.61 -3.11 114.58 117.89 3jx2 h GLU 609 Ca 0.30 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3jx2 h GLU 609 Cb 0.45 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3jx2 h GLU 609 CO -0.43 1.12 0.05 0.28 -0.73 0.00 0.00 179.01 179.30 3jx2 h VAL 610 N 0.64 1.18 -0.82 0.32 2.07 -0.81 -3.00 116.25 115.83 3jx2 h VAL 610 Ca 0.04 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.08 3jx2 h VAL 610 Cb 1.01 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 3jx2 h VAL 610 CO 0.10 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.35 3jx2 h ALA 611 N 0.87 1.15 -0.71 1.67 0.00 -1.31 -0.22 119.26 120.71 3jx2 h ALA 611 Ca 0.05 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3jx2 h ALA 611 Cb 0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3jx2 h ALA 611 CO -0.00 0.18 0.47 0.87 0.00 0.00 0.00 179.25 180.77 3jx2 h LYS 612 N 0.86 0.42 0.00 0.00 1.57 -1.48 -2.18 116.57 115.77 3jx2 h LYS 612 Ca 0.38 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.99 3jx2 h LYS 612 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3jx2 h LYS 612 CO -0.21 0.28 -0.70 0.87 -0.57 0.00 0.00 179.45 179.13 3jx2 h LYS 613 N 0.44 0.00 -0.00 3.15 1.79 -0.91 -3.16 116.57 117.88 3jx2 h LYS 613 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3jx2 h LYS 613 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3jx2 h LYS 613 CO -0.11 0.62 -0.07 -1.33 -1.08 0.00 0.00 179.45 177.49 3jx2 n MET 614 N -3.24 0.90 -3.58 3.15 2.81 -0.86 -4.96 117.12 111.34 3jx2 n MET 614 Ca 0.01 -0.29 -0.23 0.00 -1.81 0.00 0.00 57.70 55.38 3jx2 n MET 614 Cb 0.80 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.86 3jx2 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx2 n ASP 615 N -0.79 -3.58 -4.94 7.83 2.03 -0.99 -5.01 116.55 111.09 3jx2 n ASP 615 Ca 0.17 -0.84 -0.25 0.00 0.52 0.00 0.00 54.79 54.39 3jx2 n ASP 615 Cb 0.25 -4.17 -0.03 0.00 -0.72 0.00 0.00 41.12 36.46 3jx2 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx2 s LEU 616 N -6.32 4.24 -0.61 -2.67 1.43 -1.17 -5.04 118.68 108.54 3jx2 s LEU 616 Ca 0.24 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 3jx2 s LEU 616 Cb -0.06 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3jx2 s LEU 616 CO 0.81 -0.07 1.55 -0.62 0.23 0.00 0.00 176.35 178.24 3jx2 s ASP 617 N -3.50 5.84 -0.03 2.29 3.68 -1.26 -4.86 116.67 118.84 3jx2 s ASP 617 Ca 0.37 0.17 0.18 0.00 2.13 0.00 0.00 52.55 55.40 3jx2 s ASP 617 Cb -0.10 -2.54 0.57 0.00 -1.45 0.00 0.00 42.92 39.39 3jx2 s ASP 617 CO 0.30 -1.96 1.47 0.23 0.13 0.00 0.00 175.17 175.34 3jx2 n MET 618 N 9.00 2.70 0.08 4.34 2.81 -1.26 -4.28 117.12 130.50 3jx2 n MET 618 Ca 0.13 -2.29 -0.08 0.00 -1.81 0.00 0.00 57.70 53.65 3jx2 n MET 618 Cb 0.50 -1.58 -0.09 0.00 -0.71 0.00 0.00 33.22 31.35 3jx2 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx2 h ARG 619 N 3.59 0.05 -5.37 0.03 3.08 -2.04 -3.45 114.38 110.29 3jx2 h ARG 619 Ca 0.00 -0.08 -0.58 0.00 0.07 0.00 0.00 59.98 59.39 3jx2 h ARG 619 Cb 0.96 0.03 -0.31 0.00 0.08 0.00 0.00 29.97 30.73 3jx2 h ARG 619 CO 0.06 0.99 -0.84 0.15 -1.07 0.00 0.00 179.97 179.26 3jx2 s LYS 620 N -2.83 1.87 0.54 0.04 1.02 -1.26 -5.01 119.74 114.10 3jx2 s LYS 620 Ca -0.00 -0.64 0.20 0.00 0.02 0.00 0.00 55.97 55.55 3jx2 s LYS 620 Cb 0.10 -1.62 1.41 0.00 -0.52 0.00 0.00 37.83 37.20 3jx2 s LYS 620 CO 0.82 0.25 2.17 1.79 -0.92 0.00 0.00 175.35 179.47 3jx2 h THR 621 N 5.24 0.87 0.00 2.17 1.35 -1.91 -2.83 112.91 117.80 3jx2 h THR 621 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3jx2 h THR 621 Cb 1.17 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3jx2 h THR 621 CO 0.48 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 3jx2 n SER 622 N -4.36 0.00 0.00 5.36 3.41 -1.26 -1.49 113.62 115.29 3jx2 n SER 622 Ca -0.02 0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 3jx2 n SER 622 Cb 0.11 -0.38 0.52 0.00 -0.26 0.00 0.00 64.21 64.21 3jx2 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx2 n SER 623 N -1.38 0.00 -3.24 4.04 3.41 -1.07 -4.92 113.62 110.46 3jx2 n SER 623 Ca 0.06 0.17 -0.23 0.00 -0.26 0.00 0.00 58.87 58.61 3jx2 n SER 623 Cb 0.16 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.76 3jx2 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx2 n LEU 624 N -1.37 -2.03 -0.25 1.04 4.77 -0.55 -4.89 117.00 113.72 3jx2 n LEU 624 Ca 0.09 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.66 3jx2 n LEU 624 Cb 0.21 -2.47 0.10 0.00 -2.33 0.00 0.00 43.42 38.92 3jx2 n LEU 624 CO 0.18 0.20 1.04 4.11 -1.33 0.00 0.00 177.39 181.59 3jx2 h TRP 625 N -1.17 1.13 -0.75 -1.77 5.08 -1.83 -0.88 115.95 115.76 3jx2 h TRP 625 Ca -0.47 -0.09 0.06 0.00 1.08 0.00 0.00 58.89 59.47 3jx2 h TRP 625 Cb 1.32 -0.34 -0.06 0.00 -3.00 0.00 0.00 29.16 27.08 3jx2 h TRP 625 CO 0.61 0.87 0.44 0.87 -1.28 0.00 0.00 178.44 179.95 3jx2 h LYS 626 N 1.08 0.78 -0.12 0.12 1.57 -1.90 -0.71 116.57 117.40 3jx2 h LYS 626 Ca 0.25 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 3jx2 h LYS 626 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3jx2 h LYS 626 CO -0.02 0.52 -0.59 -0.44 -0.57 0.00 0.00 179.45 178.35 3jx2 h ASP 627 N 0.81 0.43 -0.07 0.86 5.19 -1.70 -0.34 116.42 121.61 3jx2 h ASP 627 Ca 0.33 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 3jx2 h ASP 627 Cb 0.17 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 3jx2 h ASP 627 CO -0.18 0.92 -0.03 1.56 -3.12 0.00 0.00 179.24 178.40 3jx2 h GLN 628 N 0.29 0.13 -0.36 3.56 4.20 -0.86 -2.43 115.11 119.63 3jx2 h GLN 628 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3jx2 h GLN 628 Cb 1.11 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 3jx2 h GLN 628 CO 0.10 0.50 0.12 0.00 -0.67 0.00 0.00 178.83 178.88 3jx2 h ALA 629 N 0.63 1.54 -0.23 3.87 0.00 -1.04 -2.70 119.26 121.33 3jx2 h ALA 629 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3jx2 h ALA 629 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3jx2 h ALA 629 CO 0.01 0.35 0.02 1.25 0.00 0.00 0.00 179.25 180.88 3jx2 h LEU 630 N 0.51 0.38 -0.34 0.00 5.85 -0.91 -1.83 115.31 118.97 3jx2 h LEU 630 Ca 0.13 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3jx2 h LEU 630 Cb 0.14 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3jx2 h LEU 630 CO -0.01 0.57 0.04 0.58 -0.34 0.00 0.00 178.44 179.29 3jx2 h VAL 631 N 0.18 0.80 -0.28 1.05 2.07 -1.21 -2.09 116.25 116.77 3jx2 h VAL 631 Ca 0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3jx2 h VAL 631 Cb 0.36 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3jx2 h VAL 631 CO 0.01 0.03 0.11 -0.33 0.02 0.00 0.00 177.57 177.41 3jx2 h GLU 632 N 0.15 0.42 -0.80 1.57 4.39 -1.35 0.67 114.58 119.63 3jx2 h GLU 632 Ca 0.16 -0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.94 3jx2 h GLU 632 Cb 0.20 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.69 3jx2 h GLU 632 CO -0.24 0.44 0.36 0.82 -1.16 0.00 0.00 179.01 179.23 3jx2 h ILE 633 N 0.30 0.66 0.00 3.13 2.04 -1.20 -0.45 117.51 121.99 3jx2 h ILE 633 Ca 0.09 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 3jx2 h ILE 633 Cb 0.18 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3jx2 h ILE 633 CO -0.01 0.09 -0.61 0.78 0.00 0.00 0.00 178.15 178.41 3jx2 h ASN 634 N 0.50 0.00 -0.75 1.72 2.35 -0.69 -2.32 115.58 116.39 3jx2 h ASN 634 Ca 0.44 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.16 3jx2 h ASN 634 Cb 0.68 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3jx2 h ASN 634 CO -0.40 0.61 0.32 0.40 -1.65 0.00 0.00 177.43 176.71 3jx2 h ILE 635 N 0.00 1.25 -0.29 2.81 2.04 -0.09 -2.89 117.51 120.33 3jx2 h ILE 635 Ca -0.01 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3jx2 h ILE 635 Cb 1.32 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3jx2 h ILE 635 CO 0.08 0.31 -0.15 0.00 0.00 0.00 0.00 178.15 178.39 3jx2 h ALA 636 N 1.16 0.41 0.05 1.87 0.00 -0.83 -1.35 119.26 120.57 3jx2 h ALA 636 Ca 0.25 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jx2 h ALA 636 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3jx2 h ALA 636 CO -0.02 0.31 -0.21 0.28 0.00 0.00 0.00 179.25 179.61 3jx2 h VAL 637 N 0.37 0.52 -0.18 0.00 2.07 -1.47 -0.12 116.25 117.44 3jx2 h VAL 637 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3jx2 h VAL 637 Cb 0.68 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3jx2 h VAL 637 CO 0.04 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.68 3jx2 h LEU 638 N -0.36 0.21 -0.69 2.57 3.38 -1.41 -2.07 115.31 116.92 3jx2 h LEU 638 Ca 0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3jx2 h LEU 638 Cb 0.41 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3jx2 h LEU 638 CO -0.16 0.15 0.44 0.22 0.09 0.00 0.00 178.44 179.18 3jx2 h TYR 639 N 0.24 0.82 -0.23 1.13 3.20 -1.10 -0.79 116.97 120.24 3jx2 h TYR 639 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3jx2 h TYR 639 Cb -0.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3jx2 h TYR 639 CO -0.06 0.47 0.07 0.77 -1.64 0.00 0.00 178.16 177.76 3jx2 h SER 640 N 0.86 0.34 -0.41 -2.11 0.02 -0.75 -0.11 113.55 111.39 3jx2 h SER 640 Ca 0.28 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3jx2 h SER 640 Cb 0.01 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3jx2 h SER 640 CO -0.10 0.47 0.14 -0.26 -1.14 0.00 0.00 176.83 175.93 3jx2 h PHE 641 N 0.20 0.64 -0.22 3.45 -1.00 -1.18 -2.49 116.94 116.35 3jx2 h PHE 641 Ca 0.07 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3jx2 h PHE 641 Cb 0.25 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 3jx2 h PHE 641 CO 0.01 0.58 0.15 1.96 -1.61 0.00 0.00 178.31 179.40 3jx2 h GLN 642 N 0.51 0.29 0.00 1.51 4.20 -1.08 0.05 115.11 120.59 3jx2 h GLN 642 Ca 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3jx2 h GLN 642 Cb 0.23 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3jx2 h GLN 642 CO -0.01 0.19 -0.10 0.77 -0.67 0.00 0.00 178.83 179.01 3jx2 h SER 643 N 0.30 0.00 -0.30 1.46 0.02 -0.92 -0.35 113.55 113.75 3jx2 h SER 643 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3jx2 h SER 643 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3jx2 h SER 643 CO -0.02 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.25 3jx2 n ASP 644 N -4.29 2.49 -3.88 3.07 8.00 -0.95 -4.97 116.55 116.03 3jx2 n ASP 644 Ca -0.03 -1.87 -0.29 0.00 0.71 0.00 0.00 54.79 53.32 3jx2 n ASP 644 Cb 0.18 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3jx2 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx2 n LYS 645 N 0.86 -5.40 -3.73 -1.24 4.01 -0.14 -4.98 118.16 107.55 3jx2 n LYS 645 Ca 0.17 0.60 -0.37 0.00 -0.51 0.00 0.00 58.31 58.20 3jx2 n LYS 645 Cb 0.45 -5.42 -0.12 0.00 -0.51 0.00 0.00 35.03 29.42 3jx2 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jx2 s VAL 646 N -3.38 4.32 0.10 -0.18 1.01 -0.06 -4.17 120.40 118.04 3jx2 s VAL 646 Ca 0.54 -0.35 -0.36 0.00 0.00 0.00 0.00 61.98 61.81 3jx2 s VAL 646 Cb -0.27 -3.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 3jx2 s VAL 646 CO 0.83 0.20 1.11 0.41 0.00 0.00 0.00 175.10 177.65 3jx2 n THR 647 N 4.93 0.50 -3.64 3.92 -1.04 0.02 -4.28 114.28 114.68 3jx2 n THR 647 Ca -0.15 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 3jx2 n THR 647 Cb 0.50 -0.47 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 3jx2 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx2 s ILE 648 N -0.05 0.04 -0.02 12.58 2.07 -1.26 -4.45 121.20 130.10 3jx2 s ILE 648 Ca 0.81 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 59.81 3jx2 s ILE 648 Cb -1.02 -0.86 -0.02 0.00 0.13 0.00 0.00 42.46 40.69 3jx2 s ILE 648 CO 0.53 -0.17 -0.23 0.54 -1.91 0.00 0.00 174.94 173.70 3jx2 s VAL 649 N -1.75 1.83 0.58 4.00 0.11 -0.23 -4.99 120.40 119.96 3jx2 s VAL 649 Ca -0.10 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 57.90 3jx2 s VAL 649 Cb -0.02 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3jx2 s VAL 649 CO 0.03 0.52 0.92 1.51 -3.33 0.00 0.00 175.10 174.74 3jx2 s ASP 650 N -0.47 5.81 0.50 3.54 -4.77 -1.26 -0.05 116.67 119.97 3jx2 s ASP 650 Ca 0.07 0.90 0.25 0.00 -3.30 0.00 0.00 52.55 50.47 3jx2 s ASP 650 Cb -0.10 -1.95 1.34 0.00 -1.09 0.00 0.00 42.92 41.12 3jx2 s ASP 650 CO -0.00 -0.96 2.04 1.12 0.70 0.00 0.00 175.17 178.06 3jx2 h HIS 651 N -0.16 0.00 0.02 2.11 2.07 -1.98 -0.33 115.15 116.87 3jx2 h HIS 651 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3jx2 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jx2 h HIS 651 CO 0.52 0.14 -0.01 0.45 -3.07 0.00 0.00 177.93 175.97 3jx2 h HIS 652 N 0.00 -0.03 -0.24 6.12 3.86 -1.97 -2.52 115.15 120.38 3jx2 h HIS 652 Ca -0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3jx2 h HIS 652 Cb 0.36 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3jx2 h HIS 652 CO 0.00 0.49 0.08 1.03 0.86 0.00 0.00 177.93 180.38 3jx2 h SER 653 N -0.57 0.08 0.46 2.45 0.87 -1.87 -1.13 113.55 113.84 3jx2 h SER 653 Ca -0.00 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3jx2 h SER 653 Cb 0.53 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3jx2 h SER 653 CO 0.01 0.08 -0.27 0.00 -0.53 0.00 0.00 176.83 176.11 3jx2 h ALA 654 N 1.15 -0.69 -0.61 6.23 0.00 -1.12 -1.79 119.26 122.44 3jx2 h ALA 654 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3jx2 h ALA 654 Cb 0.08 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3jx2 h ALA 654 CO -0.11 -0.90 0.33 1.79 0.00 0.00 0.00 179.25 180.36 3jx2 h THR 655 N -0.69 1.20 -0.64 0.00 1.35 -1.43 0.17 112.91 112.88 3jx2 h THR 655 Ca -0.05 -0.52 0.13 0.00 -0.55 0.00 0.00 66.41 65.42 3jx2 h THR 655 Cb 0.56 0.42 -0.10 0.00 -1.73 0.00 0.00 68.15 67.31 3jx2 h THR 655 CO 0.06 0.22 0.12 -0.08 -0.25 0.00 0.00 175.52 175.59 3jx2 h GLU 656 N 0.83 0.23 -0.54 4.72 4.81 -1.18 0.10 114.58 123.56 3jx2 h GLU 656 Ca 0.21 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3jx2 h GLU 656 Cb 0.06 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3jx2 h GLU 656 CO -0.03 0.15 -0.04 0.77 -0.73 0.00 0.00 179.01 179.13 3jx2 h SER 657 N 0.24 0.97 -0.27 1.04 0.02 -0.53 -2.32 113.55 112.69 3jx2 h SER 657 Ca 0.34 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3jx2 h SER 657 Cb 0.54 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3jx2 h SER 657 CO -0.45 1.06 -0.01 0.15 -1.14 0.00 0.00 176.83 176.43 3jx2 h PHE 658 N 0.85 0.62 -0.16 3.45 3.57 0.20 -0.24 116.94 125.24 3jx2 h PHE 658 Ca 0.15 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3jx2 h PHE 658 Cb 0.59 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3jx2 h PHE 658 CO 0.04 0.61 0.04 0.82 -2.23 0.00 0.00 178.31 177.59 3jx2 h ILE 659 N 0.56 0.94 -0.66 1.41 1.08 -0.43 0.17 117.51 120.60 3jx2 h ILE 659 Ca 0.12 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 3jx2 h ILE 659 Cb 0.38 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 3jx2 h ILE 659 CO 0.01 0.02 0.38 0.50 -0.69 0.00 0.00 178.15 178.37 3jx2 h LYS 660 N 0.11 0.69 -0.86 2.37 3.64 -1.09 -1.97 116.57 119.45 3jx2 h LYS 660 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3jx2 h LYS 660 Cb 0.05 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3jx2 h LYS 660 CO -0.08 0.46 0.46 1.25 -2.27 0.00 0.00 179.45 179.26 3jx2 h HIS 661 N 0.71 1.18 -0.26 1.91 2.76 -0.75 -1.89 115.15 118.81 3jx2 h HIS 661 Ca 0.28 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3jx2 h HIS 661 Cb 0.13 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.70 3jx2 h HIS 661 CO -0.07 0.82 0.17 0.52 -1.30 0.00 0.00 177.93 178.07 3jx2 h MET 662 N 1.20 0.33 -0.94 5.26 2.86 0.05 -0.76 114.93 122.94 3jx2 h MET 662 Ca 0.30 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 3jx2 h MET 662 Cb 0.04 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 3jx2 h MET 662 CO -0.05 0.22 0.62 0.93 1.06 0.00 0.00 176.91 179.69 3jx2 h GLU 663 N 0.34 1.18 -0.04 1.72 5.08 -1.14 -0.14 114.58 121.57 3jx2 h GLU 663 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3jx2 h GLU 663 Cb -0.03 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3jx2 h GLU 663 CO -0.03 0.78 0.01 -0.91 -1.00 0.00 0.00 179.01 177.86 3jx2 h ASN 664 N 1.21 0.07 -0.09 1.42 2.35 -1.03 -2.48 115.58 117.03 3jx2 h ASN 664 Ca 0.36 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3jx2 h ASN 664 Cb -0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3jx2 h ASN 664 CO -0.10 0.31 0.05 -0.33 -1.65 0.00 0.00 177.43 175.71 3jx2 h GLU 665 N -0.17 0.16 -0.05 0.81 4.39 -0.61 0.30 114.58 119.41 3jx2 h GLU 665 Ca 0.01 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3jx2 h GLU 665 Cb 0.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3jx2 h GLU 665 CO 0.00 0.14 -0.19 1.88 -1.16 0.00 0.00 179.01 179.69 3jx2 h TYR 666 N 0.17 0.29 -0.12 4.33 -1.99 -0.98 -0.07 116.97 118.60 3jx2 h TYR 666 Ca 0.04 -0.12 -0.16 0.00 2.00 0.00 0.00 58.73 60.49 3jx2 h TYR 666 Cb 0.04 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 3jx2 h TYR 666 CO 0.00 0.81 -0.61 0.07 -0.00 0.00 0.00 178.16 178.43 3jx2 h ARG 667 N -0.31 0.40 0.00 4.88 0.11 -1.15 -1.40 114.38 116.91 3jx2 h ARG 667 Ca -0.01 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.80 3jx2 h ARG 667 Cb 0.82 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.94 3jx2 h ARG 667 CO 0.04 0.89 -1.14 0.00 0.10 0.00 0.00 179.97 179.86 3jx2 n ARG 669 N -2.27 3.33 -0.94 0.00 0.63 -0.34 -5.02 116.66 112.05 3jx2 n ARG 669 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3jx2 n ARG 669 Cb 0.50 -0.33 0.00 0.00 0.45 0.00 0.00 32.46 33.07 3jx2 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx2 n GLY 670 N 0.20 0.44 0.00 5.14 0.00 -0.29 -4.59 105.19 106.09 3jx2 n GLY 670 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3jx2 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx2 n GLY 671 N -2.94 1.01 3.15 -0.02 0.00 -0.20 -1.03 105.19 105.17 3jx2 n GLY 671 Ca 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 46.02 44.94 3jx2 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx2 s PRO 673 N 2.86 4.17 -0.02 0.00 0.04 -1.26 -4.60 135.00 136.19 3jx2 s PRO 673 Ca 0.18 2.44 -0.01 0.00 0.04 0.00 0.00 61.00 63.65 3jx2 s PRO 673 Cb -0.13 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.90 3jx2 s PRO 673 CO -0.22 -0.76 0.05 0.00 0.04 0.00 0.00 177.00 176.11 3jx2 s ALA 674 N 2.44 -0.07 -0.58 8.56 0.00 0.17 -4.17 121.76 128.12 3jx2 s ALA 674 Ca 0.76 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 3jx2 s ALA 674 Cb -0.43 -0.16 0.15 0.00 0.00 0.00 0.00 23.12 22.68 3jx2 s ALA 674 CO 0.34 -0.06 0.46 0.34 0.00 0.00 0.00 175.76 176.84 3jx2 s ASP 675 N 0.43 5.89 0.30 0.00 3.68 0.46 -3.57 116.67 123.85 3jx2 s ASP 675 Ca -0.03 -2.22 0.02 0.00 2.13 0.00 0.00 52.55 52.46 3jx2 s ASP 675 Cb -0.05 -2.05 0.59 0.00 -1.45 0.00 0.00 42.92 39.97 3jx2 s ASP 675 CO -0.01 -0.63 1.86 -0.25 0.13 0.00 0.00 175.17 176.26 3jx2 h TRP 676 N 8.13 1.06 -0.71 -5.34 7.01 -1.91 0.49 115.95 124.68 3jx2 h TRP 676 Ca -0.13 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.99 3jx2 h TRP 676 Cb 1.05 -0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 3jx2 h TRP 676 CO 0.74 0.45 0.47 0.28 -2.79 0.00 0.00 178.44 177.59 3jx2 h VAL 677 N 0.95 0.95 0.01 2.65 2.07 -1.92 -2.10 116.25 118.86 3jx2 h VAL 677 Ca 0.46 -0.22 -0.32 0.00 0.82 0.00 0.00 66.70 67.45 3jx2 h VAL 677 Cb 0.46 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3jx2 h VAL 677 CO -0.22 0.12 -1.90 0.79 0.02 0.00 0.00 177.57 176.38 3jx2 n TRP 678 N -4.49 0.76 -0.12 1.57 7.02 -0.25 -4.48 117.44 117.45 3jx2 n TRP 678 Ca 0.11 0.27 -0.12 0.00 -1.02 0.00 0.00 57.50 56.74 3jx2 n TRP 678 Cb 0.31 -1.14 -0.03 0.00 -2.42 0.00 0.00 31.31 28.03 3jx2 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx2 h ILE 679 N 0.00 1.29 -2.85 -0.99 1.08 -0.66 -3.42 117.51 111.95 3jx2 h ILE 679 Ca -0.36 -1.32 -0.54 0.00 -0.39 0.00 0.00 64.86 62.25 3jx2 h ILE 679 Cb 2.07 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 3jx2 h ILE 679 CO 0.07 0.43 0.88 -0.69 -0.69 0.00 0.00 178.15 178.15 3jx2 s VAL 680 N -4.60 3.60 0.76 1.67 1.01 -0.82 -4.92 120.40 117.11 3jx2 s VAL 680 Ca -0.12 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 3jx2 s VAL 680 Cb 0.10 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3jx2 s VAL 680 CO 0.83 -0.01 1.17 -2.84 0.00 0.00 0.00 175.10 174.25 3jx2 s PRO 681 N 2.58 1.99 0.00 2.72 0.02 -1.26 -4.90 135.00 136.15 3jx2 s PRO 681 Ca 0.66 1.61 0.13 0.00 0.02 0.00 0.00 61.00 63.42 3jx2 s PRO 681 Cb -0.33 -1.83 0.78 0.00 0.02 0.00 0.00 34.50 33.14 3jx2 s PRO 681 CO 0.27 -1.91 1.41 -0.35 -0.33 0.00 0.00 177.00 176.09 3jx2 n PRO 682 N -3.09 0.87 -4.02 5.54 -0.04 -1.26 -4.35 135.00 128.66 3jx2 n PRO 682 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 3jx2 n PRO 682 Cb 0.51 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 3jx2 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx2 s MET 683 N -2.00 0.42 -1.39 0.54 0.23 -1.26 -4.92 119.30 110.92 3jx2 s MET 683 Ca 0.20 -0.82 -0.07 0.00 -1.03 0.00 0.00 55.69 53.97 3jx2 s MET 683 Cb 0.09 0.11 0.04 0.00 -1.53 0.00 0.00 34.83 33.54 3jx2 s MET 683 CO 0.15 -0.06 0.50 0.43 -2.03 0.00 0.00 175.02 174.01 3jx2 n SER 684 N 1.11 -4.77 -0.28 -1.18 7.64 -1.26 -4.87 113.62 110.01 3jx2 n SER 684 Ca -0.21 -0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.25 3jx2 n SER 684 Cb 0.57 -3.91 -0.09 0.00 -1.01 0.00 0.00 64.21 59.77 3jx2 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jx2 h GLY 685 N -1.07 -0.88 2.00 0.23 0.00 -1.92 -1.72 103.07 99.72 3jx2 h GLY 685 Ca -0.46 0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3jx2 h GLY 685 CO 0.54 -0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 3jx2 n SER 686 N -5.32 0.12 -0.46 0.19 3.41 -1.26 -1.72 113.62 108.57 3jx2 n SER 686 Ca -0.00 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3jx2 n SER 686 Cb 0.31 -0.55 0.42 0.00 -0.26 0.00 0.00 64.21 64.12 3jx2 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx2 n ILE 687 N -1.63 0.00 -3.92 -1.33 -5.35 -0.65 -4.84 119.36 101.63 3jx2 n ILE 687 Ca 0.04 -0.24 -0.31 0.00 -0.27 0.00 0.00 62.75 61.97 3jx2 n ILE 687 Cb 0.22 0.61 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 3jx2 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx2 s THR 688 N -2.16 5.37 -0.01 7.28 -4.23 -0.70 -5.02 115.64 116.17 3jx2 s THR 688 Ca 0.32 -0.37 0.32 0.00 -1.18 0.00 0.00 61.69 60.78 3jx2 s THR 688 Cb 0.20 -3.60 0.37 0.00 1.34 0.00 0.00 72.50 70.81 3jx2 s THR 688 CO 0.39 0.17 1.93 1.55 -0.54 0.00 0.00 174.62 178.12 3jx2 h PRO 689 N 3.20 0.00 0.00 3.99 0.13 -1.88 -3.08 132.00 134.35 3jx2 h PRO 689 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 3jx2 h PRO 689 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3jx2 h PRO 689 CO 0.75 0.00 -0.31 -0.39 -0.23 0.00 0.00 178.00 177.82 3jx2 h VAL 690 N 0.00 1.07 -0.92 1.56 -1.51 -1.87 -2.47 116.25 112.11 3jx2 h VAL 690 Ca 0.00 -1.12 0.17 0.00 -1.23 0.00 0.00 66.70 64.52 3jx2 h VAL 690 Cb 0.53 1.63 -0.10 0.00 -2.13 0.00 0.00 31.29 31.21 3jx2 h VAL 690 CO 0.00 0.30 0.50 0.15 -1.23 0.00 0.00 177.57 177.30 3jx2 h PHE 691 N 0.00 0.88 -0.01 5.19 3.57 -1.72 -2.47 116.94 122.37 3jx2 h PHE 691 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jx2 h PHE 691 Cb 0.60 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3jx2 h PHE 691 CO 0.00 0.18 -0.11 0.72 -2.23 0.00 0.00 178.31 176.87 3jx2 n HIS 692 N -4.85 0.00 -3.59 0.41 8.25 -0.93 -4.84 115.22 109.67 3jx2 n HIS 692 Ca 0.20 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.28 3jx2 n HIS 692 Cb 0.51 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.42 3jx2 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx2 s GLN 693 N -2.28 3.88 0.37 -0.41 2.00 -0.93 -0.83 119.66 121.46 3jx2 s GLN 693 Ca 0.32 -0.37 -0.27 0.00 -2.00 0.00 0.00 55.36 53.04 3jx2 s GLN 693 Cb 0.20 -3.66 -0.10 0.00 0.80 0.00 0.00 33.01 30.26 3jx2 s GLN 693 CO 0.43 -0.21 1.30 -1.21 -0.50 0.00 0.00 175.29 175.10 3jx2 s GLU 694 N 1.75 4.17 0.06 1.67 2.02 -0.45 -5.00 118.70 122.92 3jx2 s GLU 694 Ca 0.07 2.18 0.04 0.00 0.02 0.00 0.00 54.97 57.28 3jx2 s GLU 694 Cb -0.16 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 3jx2 s GLU 694 CO 0.11 -0.33 -0.11 -1.64 0.02 0.00 0.00 175.26 173.30 3jx2 s MET 695 N -2.01 0.68 -0.08 1.61 -1.94 -1.26 -4.64 119.30 111.66 3jx2 s MET 695 Ca 0.53 -0.87 -0.00 0.00 -1.71 0.00 0.00 55.69 53.64 3jx2 s MET 695 Cb -0.39 -0.57 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 3jx2 s MET 695 CO 0.51 0.12 -0.06 -0.51 -0.01 0.00 0.00 175.02 175.07 3jx2 s LEU 696 N -1.68 3.20 -0.14 -0.03 1.43 -1.26 -4.92 118.68 115.28 3jx2 s LEU 696 Ca -0.06 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3jx2 s LEU 696 Cb -0.10 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3jx2 s LEU 696 CO 0.01 0.33 -0.14 0.21 0.23 0.00 0.00 176.35 176.99 3jx2 s ASN 697 N -0.61 3.81 0.18 2.29 3.04 -1.23 -0.65 114.94 121.76 3jx2 s ASN 697 Ca 0.09 -0.41 -0.19 0.00 0.04 0.00 0.00 52.86 52.39 3jx2 s ASN 697 Cb -0.12 -1.58 0.04 0.00 -1.54 0.00 0.00 41.25 38.05 3jx2 s ASN 697 CO 0.02 0.12 0.54 -0.72 -3.04 0.00 0.00 177.10 174.02 3jx2 s TYR 698 N 0.62 -0.26 -0.30 0.43 -0.85 -1.26 -4.98 117.35 110.75 3jx2 s TYR 698 Ca -0.08 -0.05 -0.07 0.00 -0.52 0.00 0.00 57.07 56.35 3jx2 s TYR 698 Cb -0.16 0.45 0.02 0.00 0.38 0.00 0.00 41.96 42.64 3jx2 s TYR 698 CO 0.03 -0.89 0.08 1.03 -1.52 0.00 0.00 175.55 174.28 3jx2 s ARG 699 N -3.83 2.98 0.33 -3.49 0.52 -1.26 -4.79 118.95 109.41 3jx2 s ARG 699 Ca 0.06 -0.93 0.08 0.00 -0.52 0.00 0.00 55.73 54.42 3jx2 s ARG 699 Cb -0.01 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 3jx2 s ARG 699 CO -0.06 -0.49 0.23 -0.51 0.02 0.00 0.00 175.30 174.49 3jx2 s LEU 700 N 1.47 3.49 -0.01 2.53 1.43 -1.26 -3.20 118.68 123.13 3jx2 s LEU 700 Ca 0.02 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3jx2 s LEU 700 Cb -0.18 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3jx2 s LEU 700 CO 0.02 -0.31 -0.11 0.28 0.23 0.00 0.00 176.35 176.46 3jx2 s THR 701 N -2.34 0.89 0.76 5.49 -1.32 -1.26 -4.27 115.64 113.60 3jx2 s THR 701 Ca 0.39 -0.51 -0.14 0.00 -1.21 0.00 0.00 61.69 60.22 3jx2 s THR 701 Cb -0.05 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.25 3jx2 s THR 701 CO 0.25 0.23 1.19 -2.84 -2.21 0.00 0.00 174.62 171.24 3jx2 s PRO 702 N -0.32 1.98 0.05 7.08 0.02 -1.26 -5.03 135.00 137.52 3jx2 s PRO 702 Ca 0.04 1.67 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 3jx2 s PRO 702 Cb -0.05 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.67 3jx2 s PRO 702 CO -0.00 -1.93 0.33 -1.54 -0.33 0.00 0.00 177.00 173.52 3jx2 s SER 703 N -2.25 -0.15 -0.04 2.53 1.04 -0.96 -3.82 113.70 110.06 3jx2 s SER 703 Ca 0.72 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.86 3jx2 s SER 703 Cb -0.27 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 3jx2 s SER 703 CO 0.48 -0.65 0.29 -0.36 0.98 0.00 0.00 173.24 173.98 3jx2 s PHE 704 N -2.70 3.65 0.09 5.02 0.40 -1.26 -1.32 117.98 121.85 3jx2 s PHE 704 Ca -0.04 0.75 0.03 0.00 -0.60 0.00 0.00 56.93 57.06 3jx2 s PHE 704 Cb -0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 3jx2 s PHE 704 CO -0.04 0.66 -0.08 -1.21 0.70 0.00 0.00 175.22 175.25 3jx2 s GLU 705 N -1.23 0.78 0.72 0.44 0.41 -0.11 -4.95 118.70 114.76 3jx2 s GLU 705 Ca 0.22 -1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 53.51 3jx2 s GLU 705 Cb -0.14 -0.36 0.02 0.00 -1.78 0.00 0.00 34.13 31.87 3jx2 s GLU 705 CO 0.11 0.04 1.07 0.71 -0.49 0.00 0.00 175.26 176.70 3jx2 s TYR 706 N -2.72 3.13 0.05 1.61 1.51 -1.26 -1.09 117.35 118.58 3jx2 s TYR 706 Ca 0.05 1.25 -0.16 0.00 -1.01 0.00 0.00 57.07 57.21 3jx2 s TYR 706 Cb -0.01 -2.97 0.03 0.00 -0.11 0.00 0.00 41.96 38.90 3jx2 s TYR 706 CO -0.02 -1.33 0.35 1.14 -1.11 0.00 0.00 175.55 174.59 3jx2 s GLN 707 N -5.15 0.88 0.27 -0.62 -2.07 -1.26 -4.77 119.66 106.93 3jx2 s GLN 707 Ca 0.59 -0.47 -0.31 0.00 -1.82 0.00 0.00 55.36 53.35 3jx2 s GLN 707 Cb -0.13 0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 32.05 3jx2 s GLN 707 CO 0.54 -0.29 1.48 -2.30 -1.32 0.00 0.00 175.29 173.39 3jx2 n PRO 708 N 0.48 2.31 -1.60 9.60 -0.02 -1.26 -4.92 135.00 139.58 3jx2 n PRO 708 Ca -0.18 0.82 -0.58 0.00 -2.02 0.00 0.00 63.50 61.53 3jx2 n PRO 708 Cb 0.60 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3jx2 n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jx2 n ASP 709 N 2.08 1.05 0.24 2.55 8.00 -1.26 -4.84 116.55 124.37 3jx2 n ASP 709 Ca 0.10 1.14 0.13 0.00 0.71 0.00 0.00 54.79 56.87 3jx2 n ASP 709 Cb 0.34 -1.02 0.77 0.00 -0.02 0.00 0.00 41.12 41.18 3jx2 n ASP 709 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jx2 h PRO 710 N 4.45 0.00 0.00 -0.24 0.10 -1.92 -2.40 132.00 131.99 3jx2 h PRO 710 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 66.00 65.57 3jx2 h PRO 710 Cb 1.38 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.47 3jx2 h PRO 710 CO 0.79 0.00 -0.25 0.11 0.10 0.00 0.00 178.00 178.75 3jx2 h TRP 711 N 0.00 0.00 0.00 0.65 0.09 -1.88 0.59 115.95 115.40 3jx2 h TRP 711 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.99 3jx2 h TRP 711 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.40 3jx2 h TRP 711 CO 0.00 0.25 -0.10 -0.91 0.09 0.00 0.00 178.44 177.77 3jx2 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.80 -3.41 115.58 112.83 3jx2 h ASN 712 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3jx2 h ASN 712 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3jx2 h ASN 712 CO 0.03 0.10 -0.05 0.41 -1.65 0.00 0.00 177.43 176.28 3jx2 n THR 713 N -3.33 0.16 -1.81 2.81 -1.04 -0.64 -5.01 114.28 105.42 3jx2 n THR 713 Ca -0.01 0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.80 3jx2 n THR 713 Cb 0.30 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 3jx2 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3jx2 s HIS 714 N -1.16 2.91 0.32 -1.42 5.65 0.20 -5.04 115.29 116.75 3jx2 s HIS 714 Ca -0.01 0.57 0.07 0.00 0.25 0.00 0.00 55.06 55.94 3jx2 s HIS 714 Cb 0.00 -4.05 -0.03 0.00 -1.18 0.00 0.00 32.58 27.33 3jx2 s HIS 714 CO 0.02 -3.80 0.30 0.14 -0.65 0.00 0.00 174.74 170.75 3jx2 s VAL 715 N 0.77 3.83 -2.50 0.89 -7.23 -1.26 -4.75 120.40 110.15 3jx2 s VAL 715 Ca 0.69 -1.32 0.28 0.00 -1.81 0.00 0.00 61.98 59.83 3jx2 s VAL 715 Cb -0.47 -3.28 0.55 0.00 0.56 0.00 0.00 36.38 33.74 3jx2 s VAL 715 CO 0.37 -0.21 1.74 0.79 -0.31 0.00 0.00 175.10 177.48