#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx1 s PHE 300 N 0.00 2.52 -0.11 2.89 0.40 -1.26 -4.68 117.98 117.73 3jx1 s PHE 300 Ca 0.00 -1.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.08 3jx1 s PHE 300 Cb 0.00 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 3jx1 s PHE 300 CO 0.00 -0.58 -0.12 -0.51 0.70 0.00 0.00 175.22 174.71 3jx1 s LEU 301 N 0.84 2.82 -0.10 -0.37 1.43 -0.88 -4.92 118.68 117.50 3jx1 s LEU 301 Ca -0.07 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3jx1 s LEU 301 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3jx1 s LEU 301 CO -0.02 0.23 0.21 -0.54 0.23 0.00 0.00 176.35 176.46 3jx1 s LYS 302 N -0.02 3.65 0.01 1.70 -0.14 -1.26 0.45 119.74 124.13 3jx1 s LYS 302 Ca -0.03 0.00 0.09 0.00 -1.36 0.00 0.00 55.97 54.67 3jx1 s LYS 302 Cb -0.14 -3.23 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 3jx1 s LYS 302 CO 0.04 0.70 -0.26 0.14 -0.76 0.00 0.00 175.35 175.21 3jx1 s VAL 303 N -0.87 2.14 0.05 3.17 -7.23 0.00 -4.98 120.40 112.69 3jx1 s VAL 303 Ca 0.17 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 59.17 3jx1 s VAL 303 Cb -0.13 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 3jx1 s VAL 303 CO 0.06 0.46 -0.24 -0.75 -0.31 0.00 0.00 175.10 174.32 3jx1 s LYS 304 N -0.96 1.61 -0.25 4.82 2.20 -1.26 -0.55 119.74 125.35 3jx1 s LYS 304 Ca 0.11 -1.07 -0.08 0.00 -0.36 0.00 0.00 55.97 54.57 3jx1 s LYS 304 Cb -0.10 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 3jx1 s LYS 304 CO 0.01 0.46 0.10 1.21 -0.36 0.00 0.00 175.35 176.76 3jx1 s ASN 305 N -1.30 5.40 0.00 1.43 3.84 -0.48 -1.40 114.94 122.44 3jx1 s ASN 305 Ca 0.10 -0.12 0.29 0.00 0.21 0.00 0.00 52.86 53.34 3jx1 s ASN 305 Cb -0.10 -1.97 1.27 0.00 -0.55 0.00 0.00 41.25 39.90 3jx1 s ASN 305 CO 0.02 -0.01 1.94 0.79 -2.79 0.00 0.00 177.10 177.05 3jx1 n TRP 306 N 4.78 0.00 -0.00 0.43 7.02 -0.28 0.38 117.44 129.77 3jx1 n TRP 306 Ca -0.16 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.15 3jx1 n TRP 306 Cb 0.52 -0.45 -0.14 0.00 -2.42 0.00 0.00 31.31 28.81 3jx1 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx1 n GLU 307 N -1.46 0.72 -0.01 -0.99 2.13 -1.26 -4.56 120.64 115.22 3jx1 n GLU 307 Ca 0.08 0.27 0.07 0.00 0.66 0.00 0.00 57.16 58.25 3jx1 n GLU 307 Cb 0.32 -1.74 -0.11 0.00 0.27 0.00 0.00 31.44 30.19 3jx1 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx1 n THR 308 N -3.35 0.00 -0.94 6.31 -2.24 -1.16 -4.98 114.28 107.90 3jx1 n THR 308 Ca -0.27 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3jx1 n THR 308 Cb 1.05 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3jx1 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx1 n ASP 309 N -1.97 -3.70 -4.69 3.42 10.43 0.16 -4.98 116.55 115.23 3jx1 n ASP 309 Ca -0.02 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.91 3jx1 n ASP 309 Cb 0.35 -1.98 -0.03 0.00 1.84 0.00 0.00 41.12 41.31 3jx1 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jx1 s VAL 310 N -1.64 2.90 -0.13 2.53 1.01 -1.25 -4.78 120.40 119.05 3jx1 s VAL 310 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3jx1 s VAL 310 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3jx1 s VAL 310 CO 0.00 -0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.39 3jx1 s VAL 311 N 2.94 4.16 0.17 2.92 1.01 -1.26 -1.38 120.40 128.96 3jx1 s VAL 311 Ca 0.78 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.59 3jx1 s VAL 311 Cb -0.42 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3jx1 s VAL 311 CO 0.34 0.54 -0.25 -0.76 0.00 0.00 0.00 175.10 174.97 3jx1 s LEU 312 N -0.19 2.40 -0.19 3.92 1.43 0.29 -4.97 118.68 121.37 3jx1 s LEU 312 Ca 0.05 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3jx1 s LEU 312 Cb -0.13 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3jx1 s LEU 312 CO 0.02 0.15 -0.13 -0.89 0.23 0.00 0.00 176.35 175.73 3jx1 s THR 313 N -1.42 2.71 -0.28 5.49 2.01 -1.26 -0.82 115.64 122.08 3jx1 s THR 313 Ca 0.18 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 3jx1 s THR 313 Cb -0.09 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 3jx1 s THR 313 CO 0.08 0.49 0.20 -0.62 -0.69 0.00 0.00 174.62 174.09 3jx1 s ASP 314 N 1.25 6.05 -0.01 3.53 -1.08 0.17 -4.68 116.67 121.90 3jx1 s ASP 314 Ca 0.03 0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.19 3jx1 s ASP 314 Cb -0.14 -2.13 -0.16 0.00 -1.46 0.00 0.00 42.92 39.04 3jx1 s ASP 314 CO -0.06 -0.05 0.23 0.35 0.52 0.00 0.00 175.17 176.15 3jx1 n THR 315 N 5.00 0.00 0.23 1.71 -2.24 0.13 -2.07 114.28 117.03 3jx1 n THR 315 Ca -0.14 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.49 3jx1 n THR 315 Cb 0.52 0.29 0.61 0.00 -2.10 0.00 0.00 70.33 69.65 3jx1 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx1 h LEU 316 N 0.00 0.05 -2.64 3.22 6.46 -1.29 -2.59 115.31 118.52 3jx1 h LEU 316 Ca 0.00 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3jx1 h LEU 316 Cb 0.45 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 3jx1 h LEU 316 CO 0.00 0.04 0.07 1.12 -0.62 0.00 0.00 178.44 179.05 3jx1 h HIS 317 N 0.06 0.00 0.00 1.25 2.07 -1.84 -0.55 115.15 116.14 3jx1 h HIS 317 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 3jx1 h HIS 317 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 3jx1 h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3jx1 h LEU 318 N 0.00 0.00 -1.75 6.12 3.38 -1.82 -1.35 115.31 119.89 3jx1 h LEU 318 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3jx1 h LEU 318 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3jx1 h LEU 318 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3jx1 n LYS 319 N -2.99 2.11 -2.74 1.13 5.02 -0.22 -4.91 118.16 115.57 3jx1 n LYS 319 Ca -0.01 -1.71 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 3jx1 n LYS 319 Cb 0.21 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3jx1 n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jx1 s SER 320 N -1.13 7.32 -0.16 4.39 0.15 -0.51 -4.90 113.70 118.86 3jx1 s SER 320 Ca 0.33 1.61 -0.11 0.00 0.70 0.00 0.00 55.95 58.48 3jx1 s SER 320 Cb 0.18 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 3jx1 s SER 320 CO 0.24 -0.27 -0.25 0.41 1.20 0.00 0.00 173.24 174.57 3jx1 n THR 321 N 3.95 1.19 -1.03 6.45 -1.04 -1.23 -5.02 114.28 117.56 3jx1 n THR 321 Ca 0.06 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 3jx1 n THR 321 Cb 0.51 -1.89 0.17 0.00 -1.82 0.00 0.00 70.33 67.30 3jx1 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3jx1 s LEU 322 N -7.26 1.86 0.10 -4.42 1.43 -1.26 -5.02 118.68 104.12 3jx1 s LEU 322 Ca -0.25 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3jx1 s LEU 322 Cb 0.08 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3jx1 s LEU 322 CO 0.33 -3.10 0.26 -1.61 0.23 0.00 0.00 176.35 172.45 3jx1 s GLU 323 N -4.83 3.46 0.03 1.70 2.02 -1.26 -4.64 118.70 115.19 3jx1 s GLU 323 Ca 0.65 -0.44 0.13 0.00 0.02 0.00 0.00 54.97 55.32 3jx1 s GLU 323 Cb -0.20 -2.99 -0.19 0.00 0.10 0.00 0.00 34.13 30.86 3jx1 s GLU 323 CO 0.59 0.56 0.88 1.79 0.02 0.00 0.00 175.26 179.09 3jx1 h THR 324 N 1.93 0.95 0.00 3.63 1.35 -1.96 -3.48 112.91 115.33 3jx1 h THR 324 Ca -0.46 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 3jx1 h THR 324 Cb 1.17 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 3jx1 h THR 324 CO 0.73 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 3jx1 n GLY 325 N 1.46 3.00 3.87 5.82 0.00 -1.26 -4.82 105.19 113.25 3jx1 n GLY 325 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3jx1 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx1 s THR 327 N -2.58 0.39 -0.26 0.00 -4.23 0.59 -4.99 115.64 104.56 3jx1 s THR 327 Ca 0.53 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.28 3jx1 s THR 327 Cb -0.10 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.53 3jx1 s THR 327 CO 0.36 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.83 3jx1 h GLU 328 N 2.02 0.00 0.00 3.99 3.07 -2.05 -3.03 114.58 118.58 3jx1 h GLU 328 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3jx1 h GLU 328 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3jx1 h GLU 328 CO 0.51 0.00 -1.36 0.72 -1.40 0.00 0.00 179.01 177.48 3jx1 n HIS 329 N -2.32 0.00 -3.73 4.33 8.25 -1.26 -5.00 115.22 115.50 3jx1 n HIS 329 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3jx1 n HIS 329 Cb 0.13 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.89 3jx1 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx1 s ILE 330 N -2.83 -0.02 -0.21 1.59 2.07 -1.14 -5.13 121.20 115.52 3jx1 s ILE 330 Ca -0.02 0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 3jx1 s ILE 330 Cb 0.10 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 3jx1 s ILE 330 CO 0.62 0.03 0.02 0.00 -1.91 0.00 0.00 174.94 173.70 3jx1 n MET 332 N 4.43 2.67 0.18 0.00 0.00 -1.26 -4.71 117.12 118.43 3jx1 n MET 332 Ca -0.17 -3.06 0.18 0.00 0.00 0.00 0.00 57.70 54.65 3jx1 n MET 332 Cb 0.52 -2.01 0.78 0.00 0.00 0.00 0.00 33.22 32.51 3jx1 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx1 h GLY 333 N 1.63 0.00 -2.24 3.03 0.00 -1.94 -1.04 103.07 102.52 3jx1 h GLY 333 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3jx1 h GLY 333 CO 0.61 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.01 3jx1 n SER 334 N -3.47 3.66 -4.68 0.19 3.41 -1.26 -4.83 113.62 106.64 3jx1 n SER 334 Ca 0.04 -2.02 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 3jx1 n SER 334 Cb 0.50 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3jx1 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx1 s ILE 335 N -1.04 4.88 0.17 -1.33 -1.09 -0.39 -4.96 121.20 117.42 3jx1 s ILE 335 Ca 0.41 1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 60.39 3jx1 s ILE 335 Cb 0.22 -4.16 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 3jx1 s ILE 335 CO 0.27 0.04 1.71 0.24 -1.23 0.00 0.00 174.94 175.98 3jx1 h MET 336 N 7.24 0.85 -3.14 2.79 2.86 -1.92 -3.33 114.93 120.28 3jx1 h MET 336 Ca -0.31 -0.16 -0.65 0.00 -2.06 0.00 0.00 59.70 56.53 3jx1 h MET 336 Cb 1.14 -0.13 -0.40 0.00 0.06 0.00 0.00 31.60 32.27 3jx1 h MET 336 CO 0.83 0.75 -0.41 1.28 1.06 0.00 0.00 176.91 180.41 3jx1 n LEU 337 N -4.48 3.43 0.00 1.22 4.77 -1.26 -5.12 117.00 115.56 3jx1 n LEU 337 Ca 0.03 -5.20 0.14 0.00 -0.03 0.00 0.00 56.01 50.95 3jx1 n LEU 337 Cb 0.17 -0.87 0.68 0.00 -2.33 0.00 0.00 43.42 41.08 3jx1 n LEU 337 CO 0.39 1.70 0.97 -0.81 -1.33 0.00 0.00 177.39 178.31 3jx1 n PRO 338 N 2.03 0.34 -1.07 3.23 -0.04 -1.26 -5.17 135.00 133.07 3jx1 n PRO 338 Ca 0.21 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3jx1 n PRO 338 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3jx1 n PRO 338 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3jx1 n VAL 348 N -1.32 -0.26 -3.65 0.52 3.14 -1.25 -4.89 118.33 110.63 3jx1 n VAL 348 Ca 0.12 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.42 3jx1 n VAL 348 Cb 0.24 -0.85 -0.00 0.00 -1.06 0.00 0.00 33.84 32.17 3jx1 n VAL 348 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3jx1 n ARG 349 N 1.64 1.24 -4.07 1.45 1.74 -1.26 -5.05 116.66 112.34 3jx1 n ARG 349 Ca 0.00 -1.14 -0.27 0.00 -0.77 0.00 0.00 57.85 55.67 3jx1 n ARG 349 Cb 0.00 0.13 -0.06 0.00 -1.02 0.00 0.00 32.46 31.51 3jx1 n ARG 349 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3jx1 s THR 350 N -0.92 4.53 0.37 0.55 2.01 -1.26 -5.00 115.64 115.92 3jx1 s THR 350 Ca 0.10 -0.99 0.12 0.00 0.31 0.00 0.00 61.69 61.22 3jx1 s THR 350 Cb -0.01 -3.28 0.34 0.00 0.01 0.00 0.00 72.50 69.56 3jx1 s THR 350 CO 0.06 -0.05 1.85 0.11 -0.69 0.00 0.00 174.62 175.90 3jx1 h LYS 351 N 2.61 0.58 -0.06 4.92 1.57 -1.96 -2.39 116.57 121.84 3jx1 h LYS 351 Ca -0.47 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.30 3jx1 h LYS 351 Cb 1.19 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 3jx1 h LYS 351 CO 0.64 0.38 -0.50 0.22 -0.57 0.00 0.00 179.45 179.63 3jx1 h ASP 352 N 0.60 -1.54 1.63 0.86 1.82 -1.99 -2.63 116.42 115.16 3jx1 h ASP 352 Ca 0.48 0.18 -0.07 0.00 -0.39 0.00 0.00 57.03 57.23 3jx1 h ASP 352 Cb 0.93 0.60 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 3jx1 h ASP 352 CO -0.23 -0.49 -0.33 0.06 -1.61 0.00 0.00 179.24 176.64 3jx1 h GLN 353 N -0.60 0.00 -0.07 0.28 3.07 -1.96 -3.39 115.11 112.44 3jx1 h GLN 353 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.75 3jx1 h GLN 353 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.25 3jx1 h GLN 353 CO -0.38 0.33 -0.07 1.25 0.09 0.00 0.00 178.83 180.05 3jx1 h LEU 354 N 0.00 0.17 -0.82 0.06 5.85 -1.06 -2.91 115.31 116.60 3jx1 h LEU 354 Ca -0.00 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3jx1 h LEU 354 Cb 1.24 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3jx1 h LEU 354 CO 0.04 0.63 0.54 0.15 -0.34 0.00 0.00 178.44 179.47 3jx1 h PHE 355 N -0.28 1.03 -0.93 1.25 3.57 -1.72 0.37 116.94 120.23 3jx1 h PHE 355 Ca 0.01 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.66 3jx1 h PHE 355 Cb 0.58 -0.35 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 3jx1 h PHE 355 CO 0.09 0.64 0.56 -1.35 -2.23 0.00 0.00 178.31 176.02 3jx1 h PRO 356 N 1.11 0.85 -0.24 6.41 0.11 -1.77 0.32 132.00 138.79 3jx1 h PRO 356 Ca 0.31 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 3jx1 h PRO 356 Cb -0.11 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.80 3jx1 h PRO 356 CO -0.07 0.56 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.88 3jx1 h LEU 357 N 0.87 0.71 0.34 2.35 3.38 -1.16 -1.41 115.31 120.39 3jx1 h LEU 357 Ca 0.47 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3jx1 h LEU 357 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3jx1 h LEU 357 CO -0.28 1.07 -0.24 0.00 0.09 0.00 0.00 178.44 179.08 3jx1 h ALA 358 N 0.65 -0.57 -0.60 1.53 0.00 -0.57 -1.85 119.26 117.85 3jx1 h ALA 358 Ca 0.03 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3jx1 h ALA 358 Cb 0.91 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3jx1 h ALA 358 CO 0.08 -0.84 0.19 -0.22 0.00 0.00 0.00 179.25 178.46 3jx1 h LYS 359 N -0.58 0.33 -0.20 0.00 3.64 -0.30 0.93 116.57 120.40 3jx1 h LYS 359 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3jx1 h LYS 359 Cb 0.49 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3jx1 h LYS 359 CO 0.01 0.22 0.13 1.49 -2.27 0.00 0.00 179.45 179.02 3jx1 h GLU 360 N 0.34 0.26 0.06 1.90 4.81 -1.17 0.18 114.58 120.97 3jx1 h GLU 360 Ca 0.31 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3jx1 h GLU 360 Cb 0.41 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3jx1 h GLU 360 CO -0.34 0.19 -0.03 0.35 -0.73 0.00 0.00 179.01 178.46 3jx1 h PHE 361 N 0.26 -0.07 -0.60 0.92 3.57 -0.43 -2.09 116.94 118.50 3jx1 h PHE 361 Ca 0.07 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3jx1 h PHE 361 Cb -0.01 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3jx1 h PHE 361 CO -0.06 -0.05 0.07 -0.07 -2.23 0.00 0.00 178.31 175.98 3jx1 h LEU 362 N -0.08 0.94 -0.22 0.59 3.38 -0.67 0.14 115.31 119.40 3jx1 h LEU 362 Ca -0.01 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3jx1 h LEU 362 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3jx1 h LEU 362 CO 0.01 0.96 -0.06 0.44 0.09 0.00 0.00 178.44 179.88 3jx1 h ASP 363 N 0.92 -0.23 -0.26 -0.43 3.32 -0.60 0.13 116.42 119.27 3jx1 h ASP 363 Ca 0.18 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.32 3jx1 h ASP 363 Cb 0.44 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3jx1 h ASP 363 CO 0.01 -0.09 0.12 1.56 -1.72 0.00 0.00 179.24 179.12 3jx1 h GLN 364 N -0.02 0.24 0.53 3.56 4.20 -0.76 -1.24 115.11 121.62 3jx1 h GLN 364 Ca 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3jx1 h GLN 364 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3jx1 h GLN 364 CO -0.23 0.16 -0.35 -0.92 -0.67 0.00 0.00 178.83 176.81 3jx1 h TYR 365 N 0.25 -0.94 -0.62 2.96 3.20 -0.45 -0.34 116.97 121.03 3jx1 h TYR 365 Ca 0.11 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3jx1 h TYR 365 Cb 0.04 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3jx1 h TYR 365 CO -0.10 -0.53 0.41 1.88 -1.64 0.00 0.00 178.16 178.18 3jx1 h TYR 366 N -0.85 0.73 -0.06 -3.82 -1.99 -0.72 -1.14 116.97 109.12 3jx1 h TYR 366 Ca -0.06 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.57 3jx1 h TYR 366 Cb 0.70 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3jx1 h TYR 366 CO -0.12 0.44 -0.52 1.03 -0.00 0.00 0.00 178.16 178.99 3jx1 h SER 367 N 0.77 0.17 -0.31 3.88 0.87 -1.03 0.21 113.55 118.11 3jx1 h SER 367 Ca 0.24 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 3jx1 h SER 367 Cb 0.02 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3jx1 h SER 367 CO -0.06 0.66 -0.11 0.77 -0.53 0.00 0.00 176.83 177.56 3jx1 h SER 368 N 0.12 0.72 -0.24 6.23 4.64 0.15 -2.59 113.55 122.58 3jx1 h SER 368 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3jx1 h SER 368 Cb 0.96 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3jx1 h SER 368 CO 0.08 0.86 0.00 2.30 -0.87 0.00 0.00 176.83 179.20 3jx1 n ILE 369 N -4.17 0.80 -3.71 0.95 -5.35 -0.77 -4.93 119.36 102.18 3jx1 n ILE 369 Ca 0.01 -0.47 -0.23 0.00 -0.27 0.00 0.00 62.75 61.78 3jx1 n ILE 369 Cb 0.36 -0.19 0.04 0.00 -1.74 0.00 0.00 39.64 38.11 3jx1 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx1 n LYS 370 N 0.27 -5.64 -0.84 6.28 4.76 -0.98 -4.90 118.16 117.11 3jx1 n LYS 370 Ca 0.10 0.67 0.02 0.00 -2.87 0.00 0.00 58.31 56.23 3jx1 n LYS 370 Cb 0.47 -5.43 0.01 0.00 -1.84 0.00 0.00 35.03 28.25 3jx1 n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jx1 n ARG 371 N -4.44 0.05 -1.79 1.97 5.12 0.72 -5.02 116.66 113.27 3jx1 n ARG 371 Ca -0.18 -1.41 -0.42 0.00 -1.93 0.00 0.00 57.85 53.91 3jx1 n ARG 371 Cb 0.62 -0.36 -0.03 0.00 -1.16 0.00 0.00 32.46 31.53 3jx1 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx1 s PHE 372 N -0.11 2.71 0.00 -1.55 5.36 -1.11 -1.84 117.98 121.44 3jx1 s PHE 372 Ca 0.13 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 3jx1 s PHE 372 Cb 0.15 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 3jx1 s PHE 372 CO -0.06 -4.20 0.00 0.41 -1.46 0.00 0.00 175.22 169.91 3jx1 n GLY 373 N 3.99 1.95 3.54 13.12 0.00 -1.26 -5.00 105.19 121.53 3jx1 n GLY 373 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3jx1 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx1 s SER 374 N -3.06 1.53 0.21 1.61 1.04 -0.77 -4.70 113.70 109.56 3jx1 s SER 374 Ca 0.00 1.68 -0.09 0.00 0.48 0.00 0.00 55.95 58.02 3jx1 s SER 374 Cb 0.00 -2.36 0.15 0.00 0.10 0.00 0.00 66.02 63.91 3jx1 s SER 374 CO 0.00 -3.89 1.79 0.50 0.98 0.00 0.00 173.24 172.62 3jx1 h LYS 375 N -2.41 1.13 -0.96 4.02 3.64 -1.96 -0.45 116.57 119.58 3jx1 h LYS 375 Ca -0.57 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 58.68 3jx1 h LYS 375 Cb 1.32 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 3jx1 h LYS 375 CO 0.48 0.90 0.62 0.00 -2.27 0.00 0.00 179.45 179.18 3jx1 h ALA 376 N 1.17 1.32 0.17 5.00 0.00 -1.91 0.22 119.26 125.23 3jx1 h ALA 376 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3jx1 h ALA 376 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3jx1 h ALA 376 CO -0.03 0.42 -0.08 1.25 0.00 0.00 0.00 179.25 180.81 3jx1 h HIS 377 N 1.14 -0.21 -0.58 0.00 -0.00 -1.70 -2.23 115.15 111.57 3jx1 h HIS 377 Ca 0.41 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.71 3jx1 h HIS 377 Cb 0.13 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 3jx1 h HIS 377 CO -0.01 0.05 0.12 0.52 -0.00 0.00 0.00 177.93 178.60 3jx1 h MET 378 N -0.44 0.92 -0.44 5.26 2.07 -0.76 -2.27 114.93 119.27 3jx1 h MET 378 Ca -0.02 -0.21 -0.06 0.00 -2.07 0.00 0.00 59.70 57.34 3jx1 h MET 378 Cb 0.34 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 3jx1 h MET 378 CO 0.04 0.84 0.05 -0.44 1.07 0.00 0.00 176.91 178.47 3jx1 h ASP 379 N 0.88 0.72 -0.40 1.22 3.32 -0.98 -1.94 116.42 119.23 3jx1 h ASP 379 Ca 0.19 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3jx1 h ASP 379 Cb 0.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3jx1 h ASP 379 CO 0.00 0.82 0.19 -0.09 -1.72 0.00 0.00 179.24 178.44 3jx1 h ARG 380 N 0.60 0.58 -0.71 3.56 9.65 -1.23 0.28 114.38 127.11 3jx1 h ARG 380 Ca 0.13 -0.09 0.09 0.00 -1.10 0.00 0.00 59.98 59.01 3jx1 h ARG 380 Cb 0.41 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.82 3jx1 h ARG 380 CO 0.01 0.51 0.37 -0.07 2.80 0.00 0.00 179.97 183.59 3jx1 h LEU 381 N 0.51 0.49 -0.09 3.80 3.38 -1.34 0.74 115.31 122.81 3jx1 h LEU 381 Ca 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3jx1 h LEU 381 Cb 0.12 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3jx1 h LEU 381 CO -0.02 0.29 -0.00 -0.08 0.09 0.00 0.00 178.44 178.72 3jx1 h GLU 382 N 0.63 0.16 -0.39 1.13 4.57 -0.91 -0.83 114.58 118.94 3jx1 h GLU 382 Ca 0.34 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 3jx1 h GLU 382 Cb 0.33 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 3jx1 h GLU 382 CO -0.25 0.42 0.06 1.49 -1.18 0.00 0.00 179.01 179.55 3jx1 h GLU 383 N -0.12 0.17 -0.30 1.92 4.81 -0.18 -1.71 114.58 119.17 3jx1 h GLU 383 Ca 0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3jx1 h GLU 383 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3jx1 h GLU 383 CO 0.00 0.12 0.08 0.28 -0.73 0.00 0.00 179.01 178.76 3jx1 h VAL 384 N 0.18 1.22 -0.38 0.32 2.07 -0.79 -1.30 116.25 117.56 3jx1 h VAL 384 Ca 0.19 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3jx1 h VAL 384 Cb 0.23 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3jx1 h VAL 384 CO -0.26 0.24 -0.14 -1.13 0.02 0.00 0.00 177.57 176.30 3jx1 h ASN 385 N 0.33 -0.49 -0.69 0.57 -1.24 -0.92 -0.10 115.58 113.04 3jx1 h ASN 385 Ca 0.10 0.13 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 3jx1 h ASN 385 Cb 0.28 0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 3jx1 h ASN 385 CO 0.00 -0.17 0.16 0.11 -1.29 0.00 0.00 177.43 176.23 3jx1 h LYS 386 N -0.06 1.10 -0.51 6.67 1.57 -1.19 -0.51 116.57 123.65 3jx1 h LYS 386 Ca 0.19 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3jx1 h LYS 386 Cb 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3jx1 h LYS 386 CO -0.43 0.99 0.24 1.49 -0.57 0.00 0.00 179.45 181.17 3jx1 h GLU 387 N 1.03 0.73 0.24 3.15 4.81 -0.75 -0.86 114.58 122.94 3jx1 h GLU 387 Ca 0.21 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3jx1 h GLU 387 Cb 0.38 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3jx1 h GLU 387 CO 0.00 0.62 -0.11 0.82 -0.73 0.00 0.00 179.01 179.61 3jx1 h ILE 388 N 0.68 0.80 -0.78 2.32 2.04 -0.74 0.48 117.51 122.31 3jx1 h ILE 388 Ca 0.17 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.95 3jx1 h ILE 388 Cb 0.13 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 3jx1 h ILE 388 CO -0.02 0.05 0.38 -0.08 0.00 0.00 0.00 178.15 178.48 3jx1 h GLU 389 N -0.42 0.57 0.08 2.37 4.57 -0.94 0.68 114.58 121.48 3jx1 h GLU 389 Ca -0.03 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 57.90 3jx1 h GLU 389 Cb 0.32 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3jx1 h GLU 389 CO 0.05 0.38 -1.08 1.03 -1.18 0.00 0.00 179.01 178.21 3jx1 h SER 390 N 0.59 0.26 0.00 1.04 0.87 -1.09 -3.40 113.55 111.82 3jx1 h SER 390 Ca 0.41 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3jx1 h SER 390 Cb 0.54 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3jx1 h SER 390 CO -0.33 1.46 -0.89 0.35 -0.53 0.00 0.00 176.83 176.89 3jx1 n THR 391 N -4.16 0.00 -0.84 2.23 -2.24 0.17 -4.99 114.28 104.46 3jx1 n THR 391 Ca -0.22 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3jx1 n THR 391 Cb 0.78 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3jx1 n THR 391 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3jx1 n SER 392 N -1.47 0.00 -0.62 3.42 2.88 0.24 -4.94 113.62 113.12 3jx1 n SER 392 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3jx1 n SER 392 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3jx1 n SER 392 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3jx1 n THR 393 N -2.00 0.00 -3.73 2.46 5.66 -1.26 -4.77 114.28 110.65 3jx1 n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3jx1 n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3jx1 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx1 s TYR 394 N -2.86 -0.19 -0.14 1.09 -0.85 -1.26 -2.54 117.35 110.59 3jx1 s TYR 394 Ca 0.00 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.34 3jx1 s TYR 394 Cb 0.00 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 3jx1 s TYR 394 CO 0.00 -1.00 0.01 -0.65 -1.52 0.00 0.00 175.55 172.39 3jx1 s GLN 395 N -3.87 3.54 0.26 -3.49 -1.52 -1.26 -5.04 119.66 108.27 3jx1 s GLN 395 Ca 0.09 -0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 3jx1 s GLN 395 Cb -0.02 -2.97 -0.09 0.00 -0.22 0.00 0.00 33.01 29.70 3jx1 s GLN 395 CO -0.01 0.41 1.10 -0.51 -0.25 0.00 0.00 175.29 176.04 3jx1 s LEU 396 N -0.07 4.54 0.69 2.90 1.43 -1.26 -5.04 118.68 121.86 3jx1 s LEU 396 Ca 0.04 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 3jx1 s LEU 396 Cb -0.13 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3jx1 s LEU 396 CO 0.02 -0.17 1.17 -0.54 0.23 0.00 0.00 176.35 177.06 3jx1 s LYS 397 N -1.18 2.48 0.23 1.70 -0.14 -1.26 -4.82 119.74 116.74 3jx1 s LYS 397 Ca 0.46 1.63 -0.07 0.00 -1.36 0.00 0.00 55.97 56.63 3jx1 s LYS 397 Cb -0.32 -1.89 0.37 0.00 -1.68 0.00 0.00 37.83 34.32 3jx1 s LYS 397 CO 0.40 -1.55 1.73 -0.44 -0.76 0.00 0.00 175.35 174.73 3jx1 h ASP 398 N -0.03 0.22 -0.61 2.83 3.32 -1.99 -0.17 116.42 119.99 3jx1 h ASP 398 Ca -0.48 0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.71 3jx1 h ASP 398 Cb 1.28 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 3jx1 h ASP 398 CO 0.52 0.10 0.41 0.71 -1.72 0.00 0.00 179.24 179.26 3jx1 h THR 399 N 0.41 1.06 0.07 0.35 1.35 -2.00 -1.70 112.91 112.45 3jx1 h THR 399 Ca 0.36 -0.24 -0.27 0.00 -0.55 0.00 0.00 66.41 65.72 3jx1 h THR 399 Cb 0.52 0.31 0.02 0.00 -1.73 0.00 0.00 68.15 67.27 3jx1 h THR 399 CO -0.37 0.13 -1.13 -0.33 -0.25 0.00 0.00 175.52 173.56 3jx1 h GLU 400 N 0.69 0.53 0.15 4.72 5.08 -1.54 -2.26 114.58 121.95 3jx1 h GLU 400 Ca 0.25 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3jx1 h GLU 400 Cb 0.14 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3jx1 h GLU 400 CO -0.07 1.28 -0.07 1.25 -1.00 0.00 0.00 179.01 180.39 3jx1 h LEU 401 N 0.26 -0.17 0.13 1.33 5.85 -0.74 0.22 115.31 122.18 3jx1 h LEU 401 Ca -0.14 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3jx1 h LEU 401 Cb 1.80 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 3jx1 h LEU 401 CO 0.21 -0.11 -0.22 0.40 -0.34 0.00 0.00 178.44 178.38 3jx1 h ILE 402 N -0.21 0.52 -0.27 4.05 2.04 -1.37 0.14 117.51 122.40 3jx1 h ILE 402 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3jx1 h ILE 402 Cb 0.16 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3jx1 h ILE 402 CO 0.03 0.00 -0.01 0.22 0.00 0.00 0.00 178.15 178.40 3jx1 h TYR 403 N -0.42 -0.03 -0.23 1.37 3.20 -1.39 -1.72 116.97 117.75 3jx1 h TYR 403 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3jx1 h TYR 403 Cb 0.43 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 3jx1 h TYR 403 CO -0.20 -0.05 -0.09 0.78 -1.64 0.00 0.00 178.16 176.96 3jx1 h GLY 404 N 0.07 0.12 1.04 1.82 0.00 -0.09 -1.27 103.07 104.76 3jx1 h GLY 404 Ca 0.13 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 3jx1 h GLY 404 CO -0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 176.54 176.17 3jx1 h ALA 405 N 1.16 0.71 -0.98 3.60 0.00 -0.48 -0.91 119.26 122.35 3jx1 h ALA 405 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3jx1 h ALA 405 Cb 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3jx1 h ALA 405 CO -0.27 0.55 0.65 0.87 0.00 0.00 0.00 179.25 181.05 3jx1 h LYS 406 N 0.81 1.25 0.02 0.00 1.57 -1.17 -2.84 116.57 116.21 3jx1 h LYS 406 Ca 0.14 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 3jx1 h LYS 406 Cb 0.57 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3jx1 h LYS 406 CO 0.03 0.83 -0.96 0.45 -0.57 0.00 0.00 179.45 179.23 3jx1 h HIS 407 N 1.29 0.13 -0.74 -1.35 3.86 -0.83 -0.45 115.15 117.05 3jx1 h HIS 407 Ca 0.37 -0.08 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 3jx1 h HIS 407 Cb -0.08 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 3jx1 h HIS 407 CO -0.00 0.98 0.45 0.00 0.86 0.00 0.00 177.93 180.22 3jx1 h ALA 408 N 0.99 0.99 -0.08 2.45 0.00 -1.05 0.30 119.26 122.86 3jx1 h ALA 408 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3jx1 h ALA 408 Cb 1.65 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3jx1 h ALA 408 CO 0.13 0.19 0.02 2.35 0.00 0.00 0.00 179.25 181.95 3jx1 h TRP 409 N 0.85 0.13 -0.93 0.00 7.01 -1.34 -2.50 115.95 119.17 3jx1 h TRP 409 Ca 0.31 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.45 3jx1 h TRP 409 Cb 0.11 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.05 3jx1 h TRP 409 CO -0.05 0.30 0.59 -0.09 -2.79 0.00 0.00 178.44 176.41 3jx1 h ARG 410 N -0.08 0.70 -0.00 2.65 2.43 -0.48 -1.76 114.38 117.84 3jx1 h ARG 410 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jx1 h ARG 410 Cb 0.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3jx1 h ARG 410 CO -0.00 0.46 -0.07 0.09 -1.51 0.00 0.00 179.97 178.94 3jx1 n ASN 411 N -4.60 0.40 -4.55 -3.80 3.02 0.10 -4.84 115.26 100.99 3jx1 n ASN 411 Ca 0.19 -0.62 -0.40 0.00 -0.03 0.00 0.00 54.58 53.72 3jx1 n ASN 411 Cb 0.49 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 3jx1 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx1 s ALA 412 N -2.40 2.53 0.49 5.41 0.00 -0.66 -4.69 121.76 122.44 3jx1 s ALA 412 Ca 0.32 -1.14 0.23 0.00 0.00 0.00 0.00 51.96 51.38 3jx1 s ALA 412 Cb 0.20 -4.29 1.29 0.00 0.00 0.00 0.00 23.12 20.33 3jx1 s ALA 412 CO 0.45 -3.54 1.94 0.77 0.00 0.00 0.00 175.76 175.38 3jx1 h SER 413 N 11.82 0.14 -0.17 0.00 0.02 -1.89 -2.40 113.55 121.07 3jx1 h SER 413 Ca -0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3jx1 h SER 413 Cb 1.09 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3jx1 h SER 413 CO 1.26 0.07 0.00 0.54 -1.14 0.00 0.00 176.83 177.56 3jx1 n ARG 414 N -4.40 1.82 -3.64 3.45 1.74 -1.26 -1.22 116.66 113.15 3jx1 n ARG 414 Ca 0.14 -1.22 -0.39 0.00 -0.77 0.00 0.00 57.85 55.61 3jx1 n ARG 414 Cb 0.67 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 3jx1 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx1 n VAL 416 N 5.00 0.35 0.76 0.00 3.14 -1.26 -3.85 118.33 122.46 3jx1 n VAL 416 Ca -0.13 -0.06 0.05 0.00 -2.96 0.00 0.00 64.34 61.24 3jx1 n VAL 416 Cb 0.49 -0.62 0.16 0.00 -1.06 0.00 0.00 33.84 32.81 3jx1 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx1 n GLY 417 N 1.20 0.88 0.07 7.55 0.00 -1.26 -4.46 105.19 109.17 3jx1 n GLY 417 Ca 0.06 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.79 3jx1 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx1 n ARG 418 N 0.51 0.12 0.22 1.61 1.74 -1.25 -2.62 116.66 116.99 3jx1 n ARG 418 Ca 0.12 0.27 0.16 0.00 -0.77 0.00 0.00 57.85 57.63 3jx1 n ARG 418 Cb 0.36 -1.70 0.63 0.00 -1.02 0.00 0.00 32.46 30.73 3jx1 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx1 h ILE 419 N 0.00 0.10 -0.02 0.55 2.10 -1.89 -1.52 117.51 116.84 3jx1 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx1 h ILE 419 Cb 0.42 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 3jx1 h ILE 419 CO 0.00 0.00 -0.16 0.00 -1.08 0.00 0.00 178.15 176.91 3jx1 n GLN 420 N -3.09 1.44 -0.26 2.19 1.13 -1.08 -4.64 117.38 113.07 3jx1 n GLN 420 Ca 0.03 -0.98 0.20 0.00 -1.94 0.00 0.00 57.00 54.31 3jx1 n GLN 420 Cb 0.65 -1.48 0.52 0.00 0.11 0.00 0.00 30.24 30.04 3jx1 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx1 h TRP 421 N 2.40 0.55 -0.00 1.08 5.08 -1.50 0.47 115.95 124.03 3jx1 h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3jx1 h TRP 421 Cb 0.63 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 3jx1 h TRP 421 CO 0.00 0.12 -0.08 -1.13 -1.28 0.00 0.00 178.44 176.07 3jx1 n SER 422 N -4.53 0.10 -4.16 0.11 3.41 -1.26 -4.26 113.62 103.03 3jx1 n SER 422 Ca 0.21 0.29 -0.39 0.00 -0.26 0.00 0.00 58.87 58.71 3jx1 n SER 422 Cb 0.75 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 3jx1 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jx1 s LYS 423 N -2.95 2.77 -0.10 4.33 1.02 0.16 -4.99 119.74 119.98 3jx1 s LYS 423 Ca 0.15 -2.41 -0.04 0.00 0.02 0.00 0.00 55.97 53.69 3jx1 s LYS 423 Cb 0.19 -3.90 0.05 0.00 -0.52 0.00 0.00 37.83 33.64 3jx1 s LYS 423 CO 0.55 -1.20 0.21 -1.17 -0.92 0.00 0.00 175.35 172.82 3jx1 s LEU 424 N 0.19 0.29 -0.26 3.17 2.96 -1.26 -4.67 118.68 119.10 3jx1 s LEU 424 Ca 0.16 0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 54.31 3jx1 s LEU 424 Cb -0.19 0.57 -0.02 0.00 0.50 0.00 0.00 46.19 47.06 3jx1 s LEU 424 CO -0.04 -0.19 0.64 -1.58 -1.32 0.00 0.00 176.35 173.86 3jx1 s GLN 425 N 1.59 4.09 -0.23 1.98 2.00 -0.63 -4.97 119.66 123.49 3jx1 s GLN 425 Ca -0.06 0.53 -0.09 0.00 -2.00 0.00 0.00 55.36 53.74 3jx1 s GLN 425 Cb -0.11 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 3jx1 s GLN 425 CO -0.07 -0.43 0.12 0.08 -0.50 0.00 0.00 175.29 174.48 3jx1 s VAL 426 N 2.53 5.08 -0.23 1.34 1.01 -1.26 -0.50 120.40 128.37 3jx1 s VAL 426 Ca 0.26 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 3jx1 s VAL 426 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3jx1 s VAL 426 CO 0.09 0.37 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 3jx1 s PHE 427 N 0.97 3.02 -0.55 5.22 0.08 0.12 -4.96 117.98 121.88 3jx1 s PHE 427 Ca 0.06 -0.66 -0.25 0.00 0.12 0.00 0.00 56.93 56.20 3jx1 s PHE 427 Cb -0.13 -2.16 0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3jx1 s PHE 427 CO 0.03 -0.43 1.00 0.34 -0.10 0.00 0.00 175.22 176.06 3jx1 s ASP 428 N 1.48 6.38 -0.36 1.36 -1.08 -1.26 -1.05 116.67 122.13 3jx1 s ASP 428 Ca 0.06 -0.21 0.06 0.00 -0.52 0.00 0.00 52.55 51.94 3jx1 s ASP 428 Cb -0.15 -2.46 0.53 0.00 -1.46 0.00 0.00 42.92 39.38 3jx1 s ASP 428 CO 0.00 -1.27 1.60 0.00 0.52 0.00 0.00 175.17 176.02 3jx1 n ALA 429 N 7.66 4.87 0.46 3.66 0.00 0.14 -4.66 120.51 132.64 3jx1 n ALA 429 Ca 0.04 -3.19 0.12 0.00 0.00 0.00 0.00 53.44 50.40 3jx1 n ALA 429 Cb 0.48 -0.96 0.46 0.00 0.00 0.00 0.00 19.45 19.44 3jx1 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx1 n ARG 430 N -1.08 0.18 -0.04 0.00 1.74 -1.08 -1.91 116.66 114.49 3jx1 n ARG 430 Ca 0.43 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.99 3jx1 n ARG 430 Cb 1.14 -1.82 0.50 0.00 -1.02 0.00 0.00 32.46 31.26 3jx1 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx1 n ASP 431 N -2.16 1.27 -4.77 0.55 5.68 -1.26 -4.49 116.55 111.36 3jx1 n ASP 431 Ca 0.03 -1.54 -0.39 0.00 -0.50 0.00 0.00 54.79 52.39 3jx1 n ASP 431 Cb 0.26 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 3jx1 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx1 n THR 433 N 0.33 0.00 -4.24 0.00 -2.24 -1.26 -4.76 114.28 102.11 3jx1 n THR 433 Ca 0.03 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3jx1 n THR 433 Cb 0.46 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 3jx1 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx1 s THR 434 N -1.19 0.55 0.17 4.28 -4.23 -1.26 -4.66 115.64 109.30 3jx1 s THR 434 Ca 0.00 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 3jx1 s THR 434 Cb 0.00 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.68 3jx1 s THR 434 CO 0.00 -0.36 1.65 0.00 -0.54 0.00 0.00 174.62 175.36 3jx1 h ALA 435 N 2.66 0.79 -0.64 3.99 0.00 -1.90 0.14 119.26 124.30 3jx1 h ALA 435 Ca -0.37 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.36 3jx1 h ALA 435 Cb 1.21 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3jx1 h ALA 435 CO 0.61 0.59 0.25 0.45 0.00 0.00 0.00 179.25 181.16 3jx1 h HIS 436 N 0.91 0.44 -0.79 0.00 -0.00 -1.96 0.33 115.15 114.08 3jx1 h HIS 436 Ca 0.17 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 3jx1 h HIS 436 Cb 0.50 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 3jx1 h HIS 436 CO 0.04 0.11 0.46 0.78 -0.00 0.00 0.00 177.93 179.32 3jx1 h GLY 437 N 0.44 1.16 1.00 2.45 0.00 -1.73 -2.01 103.07 104.39 3jx1 h GLY 437 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3jx1 h GLY 437 CO -0.32 0.48 0.33 -0.33 0.00 0.00 0.00 176.54 176.71 3jx1 h MET 438 N 1.09 0.65 -0.41 4.80 0.00 0.05 -1.85 114.93 119.26 3jx1 h MET 438 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 59.70 59.99 3jx1 h MET 438 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 31.60 31.40 3jx1 h MET 438 CO -0.05 0.43 0.16 0.35 0.00 0.00 0.00 176.91 177.80 3jx1 h PHE 439 N 0.67 0.29 -0.34 -0.22 3.04 0.02 -0.82 116.94 119.57 3jx1 h PHE 439 Ca 0.18 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 3jx1 h PHE 439 Cb -0.08 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 3jx1 h PHE 439 CO -0.04 0.12 0.19 -0.97 -2.02 0.00 0.00 178.31 175.60 3jx1 h ASN 440 N 0.34 0.42 -0.86 0.41 -1.24 -1.12 -0.83 115.58 112.69 3jx1 h ASN 440 Ca 0.19 -0.08 0.09 0.00 0.71 0.00 0.00 56.30 57.22 3jx1 h ASN 440 Cb 0.16 -0.11 -0.07 0.00 0.73 0.00 0.00 38.32 39.03 3jx1 h ASN 440 CO -0.18 0.38 0.51 1.88 -1.29 0.00 0.00 177.43 178.73 3jx1 h TYR 441 N 0.43 0.92 -0.32 0.67 -1.99 -1.05 -1.97 116.97 113.67 3jx1 h TYR 441 Ca 0.12 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.72 3jx1 h TYR 441 Cb 0.04 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.48 3jx1 h TYR 441 CO -0.03 0.39 -0.44 0.82 -0.00 0.00 0.00 178.16 178.90 3jx1 h ILE 442 N 0.85 1.28 -0.52 -2.88 2.04 -0.78 -1.51 117.51 116.00 3jx1 h ILE 442 Ca 0.41 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.69 3jx1 h ILE 442 Cb 0.35 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3jx1 h ILE 442 CO -0.24 0.53 0.28 0.00 0.00 0.00 0.00 178.15 178.72 3jx1 h ASN 444 N 0.55 0.94 -0.01 0.00 2.35 -1.15 -1.17 115.58 117.10 3jx1 h ASN 444 Ca 0.22 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3jx1 h ASN 444 Cb 0.09 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3jx1 h ASN 444 CO -0.13 0.86 0.01 -0.74 -1.65 0.00 0.00 177.43 175.77 3jx1 h HIS 445 N 0.99 0.01 -0.74 1.19 2.76 -0.76 -0.02 115.15 118.58 3jx1 h HIS 445 Ca 0.23 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3jx1 h HIS 445 Cb 0.23 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3jx1 h HIS 445 CO 0.02 0.02 0.48 0.28 -1.30 0.00 0.00 177.93 177.42 3jx1 h VAL 446 N 0.00 1.14 -0.10 5.26 2.07 -0.31 0.42 116.25 124.72 3jx1 h VAL 446 Ca 0.00 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3jx1 h VAL 446 Cb 0.01 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3jx1 h VAL 446 CO -0.00 0.17 -0.19 0.50 0.02 0.00 0.00 177.57 178.08 3jx1 h LYS 447 N 0.95 0.31 -0.33 1.57 3.64 -1.12 -0.71 116.57 120.88 3jx1 h LYS 447 Ca 0.29 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3jx1 h LYS 447 Cb -0.04 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3jx1 h LYS 447 CO -0.09 0.78 0.21 -0.92 -2.27 0.00 0.00 179.45 177.16 3jx1 h TYR 448 N -0.12 0.42 -0.41 1.91 3.20 -0.62 -1.64 116.97 119.71 3jx1 h TYR 448 Ca 0.01 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3jx1 h TYR 448 Cb 0.76 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3jx1 h TYR 448 CO 0.10 0.28 -0.19 0.00 -1.64 0.00 0.00 178.16 176.71 3jx1 h ALA 449 N 1.11 0.57 0.30 1.82 0.00 -0.12 -3.23 119.26 119.70 3jx1 h ALA 449 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3jx1 h ALA 449 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3jx1 h ALA 449 CO -0.02 0.52 -0.14 1.15 0.00 0.00 0.00 179.25 180.75 3jx1 h THR 450 N 0.66 0.72 -6.21 0.00 2.02 -1.09 0.49 112.91 109.50 3jx1 h THR 450 Ca 0.09 -0.10 -0.45 0.00 0.77 0.00 0.00 66.41 66.72 3jx1 h THR 450 Cb 0.74 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3jx1 h THR 450 CO 0.06 0.02 -0.79 -3.20 0.37 0.00 0.00 175.52 171.98 3jx1 n ASN 451 N -5.24 -3.43 -2.41 4.18 4.05 -0.62 -0.60 115.26 111.19 3jx1 n ASN 451 Ca -0.10 -0.79 -0.12 0.00 0.45 0.00 0.00 54.58 54.02 3jx1 n ASN 451 Cb 0.20 -3.97 -0.01 0.00 1.23 0.00 0.00 39.78 37.23 3jx1 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3jx1 n LYS 452 N -4.54 -2.20 0.00 1.20 5.02 -1.26 -1.95 118.16 114.43 3jx1 n LYS 452 Ca -0.09 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3jx1 n LYS 452 Cb 0.59 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 3jx1 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx1 n GLY 453 N -0.78 2.89 3.10 0.72 0.00 0.23 -4.93 105.19 106.42 3jx1 n GLY 453 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3jx1 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx1 n ASN 454 N 0.00 5.01 -4.78 1.61 4.05 -0.82 -0.96 115.26 119.38 3jx1 n ASN 454 Ca 0.00 -3.03 -0.41 0.00 0.45 0.00 0.00 54.58 51.59 3jx1 n ASN 454 Cb 0.00 -1.54 -0.00 0.00 1.23 0.00 0.00 39.78 39.46 3jx1 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx1 s LEU 455 N 0.94 4.32 -0.07 1.20 1.02 -1.24 -4.59 118.68 120.26 3jx1 s LEU 455 Ca 0.42 3.06 0.04 0.00 0.02 0.00 0.00 54.13 57.67 3jx1 s LEU 455 Cb 0.05 -3.67 0.00 0.00 0.02 0.00 0.00 46.19 42.60 3jx1 s LEU 455 CO 0.00 -0.89 -0.19 -0.13 0.02 0.00 0.00 176.35 175.16 3jx1 s ARG 456 N -1.97 2.28 0.34 1.70 0.52 0.16 -4.99 118.95 116.99 3jx1 s ARG 456 Ca 0.54 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 3jx1 s ARG 456 Cb -0.47 -1.83 -0.11 0.00 0.52 0.00 0.00 34.95 33.07 3jx1 s ARG 456 CO 0.62 0.16 1.44 -1.12 0.02 0.00 0.00 175.30 176.43 3jx1 s SER 457 N 0.33 6.51 0.14 0.23 0.01 -1.26 -4.46 113.70 115.19 3jx1 s SER 457 Ca -0.13 2.89 -0.19 0.00 1.31 0.00 0.00 55.95 59.83 3jx1 s SER 457 Cb -0.15 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.47 3jx1 s SER 457 CO 0.05 -0.76 0.49 0.00 0.41 0.00 0.00 173.24 173.44 3jx1 s ALA 458 N -0.85 -1.25 -0.04 1.44 0.00 -0.57 -1.60 121.76 118.89 3jx1 s ALA 458 Ca 0.54 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 3jx1 s ALA 458 Cb -0.44 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3jx1 s ALA 458 CO 0.56 -0.70 0.13 -1.50 0.00 0.00 0.00 175.76 174.25 3jx1 s ILE 459 N -3.75 0.01 -0.13 0.00 2.07 0.35 -0.53 121.20 119.21 3jx1 s ILE 459 Ca 0.02 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3jx1 s ILE 459 Cb 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 3jx1 s ILE 459 CO -0.12 -0.04 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.81 3jx1 s THR 460 N -0.06 2.62 -0.27 4.00 2.01 -0.33 0.11 115.64 123.72 3jx1 s THR 460 Ca -0.01 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3jx1 s THR 460 Cb -0.02 -2.08 0.05 0.00 0.01 0.00 0.00 72.50 70.47 3jx1 s THR 460 CO 0.00 0.53 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.76 3jx1 s ILE 461 N 0.55 2.57 0.70 1.82 1.01 -0.22 -2.90 121.20 124.72 3jx1 s ILE 461 Ca -0.11 -1.41 -0.06 0.00 0.00 0.00 0.00 60.65 59.08 3jx1 s ILE 461 Cb -0.16 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 39.94 3jx1 s ILE 461 CO 0.04 0.02 1.00 -0.36 0.00 0.00 0.00 174.94 175.63 3jx1 s PHE 462 N 1.20 2.77 0.55 3.97 0.08 -0.78 0.26 117.98 126.03 3jx1 s PHE 462 Ca -0.05 0.33 -0.21 0.00 0.12 0.00 0.00 56.93 57.12 3jx1 s PHE 462 Cb -0.19 -3.17 -0.05 0.00 -0.57 0.00 0.00 43.02 39.04 3jx1 s PHE 462 CO -0.04 -1.41 1.22 -2.30 -0.10 0.00 0.00 175.22 172.58 3jx1 n PRO 463 N -2.88 1.42 -1.34 0.24 -0.02 -1.25 -4.70 135.00 126.46 3jx1 n PRO 463 Ca 0.09 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 3jx1 n PRO 463 Cb 0.60 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.79 3jx1 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx1 s GLN 464 N -2.78 1.78 0.45 -0.52 -2.07 -1.26 -4.54 119.66 110.71 3jx1 s GLN 464 Ca 0.72 0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 54.84 3jx1 s GLN 464 Cb -0.43 -1.87 -0.09 0.00 -1.09 0.00 0.00 33.01 29.53 3jx1 s GLN 464 CO 0.49 -1.88 1.35 -2.13 -1.32 0.00 0.00 175.29 171.80 3jx1 n ARG 465 N -3.64 2.05 0.00 9.60 0.63 0.16 -4.89 116.66 120.57 3jx1 n ARG 465 Ca 0.07 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3jx1 n ARG 465 Cb 0.55 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.96 3jx1 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx1 n THR 466 N -0.29 0.00 1.06 5.15 -2.24 -1.26 -4.78 114.28 111.93 3jx1 n THR 466 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 3jx1 n THR 466 Cb 0.41 -0.31 0.29 0.00 -2.10 0.00 0.00 70.33 68.62 3jx1 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx1 n ASP 467 N -0.40 2.42 0.00 3.42 5.68 -1.26 -3.83 116.55 122.58 3jx1 n ASP 467 Ca 0.00 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 3jx1 n ASP 467 Cb 0.00 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3jx1 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx1 n GLY 468 N 1.29 1.15 0.41 6.12 0.00 -1.26 -4.02 105.19 108.88 3jx1 n GLY 468 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3jx1 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx1 n LYS 469 N -2.00 1.15 -1.90 1.61 5.02 -1.26 -4.50 118.16 116.28 3jx1 n LYS 469 Ca 0.00 -0.83 -0.02 0.00 -2.02 0.00 0.00 58.31 55.44 3jx1 n LYS 469 Cb 0.00 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 33.62 3jx1 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx1 n HIS 470 N -0.24 0.88 -2.10 2.13 8.25 -1.26 -4.41 115.22 118.46 3jx1 n HIS 470 Ca 0.08 -1.50 -0.41 0.00 -0.26 0.00 0.00 57.72 55.63 3jx1 n HIS 470 Cb 0.43 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3jx1 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx1 s ASP 471 N -3.08 6.76 0.05 0.41 1.11 -1.26 -3.02 116.67 117.64 3jx1 s ASP 471 Ca 0.35 2.68 -0.25 0.00 0.18 0.00 0.00 52.55 55.51 3jx1 s ASP 471 Cb 0.37 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.66 3jx1 s ASP 471 CO -0.07 -0.56 0.76 -0.36 1.18 0.00 0.00 175.17 176.12 3jx1 s PHE 472 N -0.96 3.74 -0.06 4.23 0.40 -1.26 -0.84 117.98 123.23 3jx1 s PHE 472 Ca 0.50 1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 58.26 3jx1 s PHE 472 Cb -0.40 -2.81 0.02 0.00 0.51 0.00 0.00 43.02 40.34 3jx1 s PHE 472 CO 0.51 0.28 0.15 1.03 0.70 0.00 0.00 175.22 177.90 3jx1 s ARG 473 N -0.09 0.16 -0.29 0.44 1.81 -0.12 -3.26 118.95 117.60 3jx1 s ARG 473 Ca 0.38 0.25 -0.20 0.00 -1.72 0.00 0.00 55.73 54.44 3jx1 s ARG 473 Cb -0.21 0.03 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 3jx1 s ARG 473 CO 0.23 -0.05 0.64 0.08 -0.68 0.00 0.00 175.30 175.51 3jx1 s VAL 474 N 0.34 4.95 0.03 3.52 1.01 -1.26 -0.67 120.40 128.32 3jx1 s VAL 474 Ca -0.02 0.97 0.15 0.00 0.00 0.00 0.00 61.98 63.07 3jx1 s VAL 474 Cb -0.03 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3jx1 s VAL 474 CO -0.01 -0.09 1.53 -0.50 0.00 0.00 0.00 175.10 176.03 3jx1 h TRP 475 N 8.08 0.00 -3.95 5.22 4.06 -1.45 -3.42 115.95 124.49 3jx1 h TRP 475 Ca -0.27 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.15 3jx1 h TRP 475 Cb 1.12 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 29.37 3jx1 h TRP 475 CO 0.76 0.55 0.64 -0.80 -3.56 0.00 0.00 178.44 176.03 3jx1 s ASN 476 N -6.52 6.22 0.18 -3.49 -0.87 -1.26 -4.91 114.94 104.29 3jx1 s ASN 476 Ca 0.02 2.74 0.09 0.00 -1.57 0.00 0.00 52.86 54.14 3jx1 s ASN 476 Cb 0.09 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 3jx1 s ASN 476 CO 0.74 -0.92 1.38 0.77 -2.57 0.00 0.00 177.10 176.49 3jx1 h SER 477 N 2.63 0.00 -4.66 -1.22 4.64 -1.90 -3.34 113.55 109.70 3jx1 h SER 477 Ca -0.50 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.51 3jx1 h SER 477 Cb 1.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 3jx1 h SER 477 CO 0.62 0.84 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.58 3jx1 s GLN 478 N -2.93 0.64 0.26 4.77 -0.21 -1.26 -0.90 119.66 120.03 3jx1 s GLN 478 Ca 0.01 -0.86 -0.05 0.00 0.02 0.00 0.00 55.36 54.48 3jx1 s GLN 478 Cb 0.10 -0.44 0.30 0.00 1.00 0.00 0.00 33.01 33.97 3jx1 s GLN 478 CO 0.79 0.08 1.90 -0.07 -2.12 0.00 0.00 175.29 175.88 3jx1 h LEU 479 N 4.30 1.06 -8.15 2.90 3.38 -1.36 -3.38 115.31 114.06 3jx1 h LEU 479 Ca -0.37 -0.07 -0.67 0.00 0.09 0.00 0.00 57.88 56.86 3jx1 h LEU 479 Cb 1.20 -0.27 -0.33 0.00 0.09 0.00 0.00 40.66 41.35 3jx1 h LEU 479 CO 0.42 0.82 -0.82 -0.63 0.09 0.00 0.00 178.44 178.33 3jx1 s ILE 480 N -5.87 2.44 0.12 1.22 1.01 -1.26 -4.87 121.20 113.99 3jx1 s ILE 480 Ca -0.12 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3jx1 s ILE 480 Cb 0.17 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.60 3jx1 s ILE 480 CO 0.82 0.49 0.32 -0.13 0.00 0.00 0.00 174.94 176.43 3jx1 s ARG 481 N 1.34 1.01 0.01 2.79 0.52 -1.26 -4.85 118.95 118.51 3jx1 s ARG 481 Ca 0.05 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.33 3jx1 s ARG 481 Cb -0.14 0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 3jx1 s ARG 481 CO -0.10 -0.37 0.29 0.71 0.02 0.00 0.00 175.30 175.85 3jx1 s TYR 482 N -3.84 3.59 0.67 -0.53 4.12 -1.26 -0.30 117.35 119.80 3jx1 s TYR 482 Ca 0.05 0.63 -0.14 0.00 0.02 0.00 0.00 57.07 57.64 3jx1 s TYR 482 Cb 0.03 -2.03 0.01 0.00 -1.52 0.00 0.00 41.96 38.44 3jx1 s TYR 482 CO -0.10 0.61 1.09 0.00 0.02 0.00 0.00 175.55 177.17 3jx1 s ALA 483 N -1.28 2.49 -0.04 3.71 0.00 0.05 -4.45 121.76 122.25 3jx1 s ALA 483 Ca 0.27 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3jx1 s ALA 483 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3jx1 s ALA 483 CO 0.15 -1.29 -0.12 0.20 0.00 0.00 0.00 175.76 174.70 3jx1 s GLY 484 N -2.89 0.70 -0.19 0.00 0.00 -1.24 -1.31 107.32 102.39 3jx1 s GLY 484 Ca 0.64 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 3jx1 s GLY 484 CO 0.45 -0.10 -0.02 -0.19 0.00 0.00 0.00 173.10 173.24 3jx1 s TYR 485 N 0.28 1.59 -0.10 1.90 1.51 0.29 -4.23 117.35 118.59 3jx1 s TYR 485 Ca -0.06 -1.14 -0.30 0.00 -1.01 0.00 0.00 57.07 54.57 3jx1 s TYR 485 Cb -0.11 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3jx1 s TYR 485 CO 0.02 -0.64 1.16 0.21 -1.11 0.00 0.00 175.55 175.19 3jx1 s LYS 486 N 1.67 4.34 0.35 -0.62 2.47 -1.26 -0.51 119.74 126.17 3jx1 s LYS 486 Ca -0.01 1.59 -0.07 0.00 -1.56 0.00 0.00 55.97 55.92 3jx1 s LYS 486 Cb -0.17 -3.60 -0.05 0.00 -1.46 0.00 0.00 37.83 32.55 3jx1 s LYS 486 CO -0.07 -0.48 0.65 -0.65 0.16 0.00 0.00 175.35 174.95 3jx1 s GLN 487 N 2.47 3.67 0.60 4.03 -1.52 0.80 -4.97 119.66 124.74 3jx1 s GLN 487 Ca 0.53 0.16 0.34 0.00 -1.95 0.00 0.00 55.36 54.44 3jx1 s GLN 487 Cb -0.22 -2.54 1.93 0.00 -0.22 0.00 0.00 33.01 31.96 3jx1 s GLN 487 CO 0.19 0.09 2.25 -1.35 -0.25 0.00 0.00 175.29 176.22 3jx1 h PRO 488 N 1.35 0.00 -0.03 2.91 0.11 -1.96 -0.05 132.00 134.34 3jx1 h PRO 488 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jx1 h PRO 488 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3jx1 h PRO 488 CO 0.65 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 3jx1 n ASP 489 N -3.58 0.34 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.95 3jx1 n ASP 489 Ca -0.03 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 3jx1 n ASP 489 Cb 0.11 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 3jx1 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx1 n GLY 490 N 0.87 1.79 3.80 6.12 0.00 -0.03 -5.05 105.19 112.69 3jx1 n GLY 490 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3jx1 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx1 s SER 491 N -2.13 5.14 -0.04 1.61 1.04 -1.26 -4.77 113.70 113.29 3jx1 s SER 491 Ca 0.00 1.69 0.05 0.00 0.48 0.00 0.00 55.95 58.16 3jx1 s SER 491 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 3jx1 s SER 491 CO 0.00 -1.61 -0.17 -0.89 0.98 0.00 0.00 173.24 171.55 3jx1 s THR 492 N -2.97 2.82 -0.16 2.02 2.01 -1.26 -0.14 115.64 117.96 3jx1 s THR 492 Ca 0.59 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 3jx1 s THR 492 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3jx1 s THR 492 CO 0.54 0.59 0.03 -0.22 -0.69 0.00 0.00 174.62 174.87 3jx1 s LEU 493 N -0.69 3.63 0.00 4.42 2.96 0.33 -4.95 118.68 124.38 3jx1 s LEU 493 Ca 0.11 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3jx1 s LEU 493 Cb -0.10 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3jx1 s LEU 493 CO 0.00 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 3jx1 n GLY 494 N 3.29 -0.34 3.56 7.98 0.00 -1.26 -0.55 105.19 117.87 3jx1 n GLY 494 Ca -0.17 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3jx1 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx1 s ASP 495 N -4.00 6.47 0.56 1.61 -1.08 -0.42 -4.82 116.67 114.99 3jx1 s ASP 495 Ca 0.00 0.04 0.28 0.00 -0.52 0.00 0.00 52.55 52.36 3jx1 s ASP 495 Cb 0.00 -2.41 1.67 0.00 -1.46 0.00 0.00 42.92 40.72 3jx1 s ASP 495 CO 0.00 -0.94 2.19 -0.65 0.52 0.00 0.00 175.17 176.29 3jx1 h PRO 496 N 8.94 0.00 0.00 4.34 0.11 -1.82 -1.52 132.00 142.04 3jx1 h PRO 496 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3jx1 h PRO 496 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx1 h PRO 496 CO 0.98 0.05 -0.00 0.00 -0.21 0.00 0.00 178.00 178.81 3jx1 h ALA 497 N 1.95 1.14 -0.26 -0.75 0.00 -1.92 -2.96 119.26 116.46 3jx1 h ALA 497 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jx1 h ALA 497 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jx1 h ALA 497 CO 0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3jx1 n ASN 498 N -3.29 3.17 -0.12 0.00 3.02 -0.57 -4.70 115.26 112.77 3jx1 n ASN 498 Ca -0.03 -2.46 -0.05 0.00 -0.03 0.00 0.00 54.58 52.01 3jx1 n ASN 498 Cb 0.08 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3jx1 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx1 h VAL 499 N 1.62 0.80 0.21 2.41 2.07 -1.60 0.49 116.25 122.25 3jx1 h VAL 499 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3jx1 h VAL 499 Cb 1.00 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3jx1 h VAL 499 CO 0.09 0.04 -0.10 -0.61 0.02 0.00 0.00 177.57 177.01 3jx1 h GLN 500 N 0.22 -0.27 -0.94 1.57 4.15 -1.85 -0.35 115.11 117.64 3jx1 h GLN 500 Ca 0.19 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.64 3jx1 h GLN 500 Cb 0.22 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3jx1 h GLN 500 CO -0.25 -0.02 0.62 0.35 -1.93 0.00 0.00 178.83 177.61 3jx1 h PHE 501 N -0.49 1.18 -0.40 3.99 3.57 -1.88 -1.52 116.94 121.39 3jx1 h PHE 501 Ca -0.03 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3jx1 h PHE 501 Cb 0.37 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3jx1 h PHE 501 CO -0.00 0.74 0.13 1.15 -2.23 0.00 0.00 178.31 178.10 3jx1 h THR 502 N 1.27 0.86 -0.84 4.41 2.02 -0.59 -0.55 112.91 119.49 3jx1 h THR 502 Ca 0.35 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.45 3jx1 h THR 502 Cb -0.14 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 3jx1 h THR 502 CO -0.08 0.05 0.56 -0.33 0.37 0.00 0.00 175.52 176.09 3jx1 h GLU 503 N 0.28 1.05 -0.24 6.66 5.08 -0.42 -0.31 114.58 126.68 3jx1 h GLU 503 Ca 0.19 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3jx1 h GLU 503 Cb 0.18 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3jx1 h GLU 503 CO -0.20 0.70 0.03 0.82 -1.00 0.00 0.00 179.01 179.36 3jx1 h ILE 504 N 1.08 1.23 -0.42 3.13 2.04 -0.79 -1.61 117.51 122.17 3jx1 h ILE 504 Ca 0.33 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3jx1 h ILE 504 Cb -0.03 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3jx1 h ILE 504 CO -0.09 0.25 0.18 0.00 0.00 0.00 0.00 178.15 178.49 3jx1 h ILE 506 N 0.36 1.12 -0.39 0.00 2.04 -1.03 -1.43 117.51 118.17 3jx1 h ILE 506 Ca 0.19 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3jx1 h ILE 506 Cb 0.15 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3jx1 h ILE 506 CO -0.17 0.14 0.21 -0.61 0.00 0.00 0.00 178.15 177.73 3jx1 h GLN 507 N 0.79 0.54 0.00 2.37 4.15 -0.64 -1.66 115.11 120.66 3jx1 h GLN 507 Ca 0.24 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.61 3jx1 h GLN 507 Cb -0.04 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3jx1 h GLN 507 CO -0.08 0.40 0.00 1.04 -1.93 0.00 0.00 178.83 178.26 3jx1 n GLN 508 N -4.43 0.85 0.00 1.69 1.13 -0.09 -4.88 117.38 111.64 3jx1 n GLN 508 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3jx1 n GLN 508 Cb 0.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.95 3jx1 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx1 n GLY 509 N 0.88 0.84 3.68 1.08 0.00 -0.62 -4.90 105.19 106.15 3jx1 n GLY 509 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 3jx1 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx1 n TRP 510 N -0.83 2.45 -2.91 1.61 -0.00 -0.81 -4.96 117.44 111.99 3jx1 n TRP 510 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 57.50 57.12 3jx1 n TRP 510 Cb 0.00 -2.65 -0.05 0.00 -0.00 0.00 0.00 31.31 28.61 3jx1 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx1 s LYS 511 N 2.24 3.77 -0.06 5.87 1.02 -1.26 -4.42 119.74 126.90 3jx1 s LYS 511 Ca 0.82 0.38 -0.23 0.00 0.02 0.00 0.00 55.97 56.96 3jx1 s LYS 511 Cb -0.59 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 3jx1 s LYS 511 CO 0.40 -0.88 0.70 0.00 -0.92 0.00 0.00 175.35 174.65 3jx1 s ALA 512 N 3.20 3.34 0.53 5.17 0.00 -1.26 -4.93 121.76 127.82 3jx1 s ALA 512 Ca 0.33 0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.68 3jx1 s ALA 512 Cb -0.13 -2.95 1.58 0.00 0.00 0.00 0.00 23.12 21.63 3jx1 s ALA 512 CO 0.17 -0.09 2.18 -1.35 0.00 0.00 0.00 175.76 176.67 3jx1 h PRO 513 N 6.71 0.00 -5.88 0.00 0.11 -1.99 -3.47 132.00 127.48 3jx1 h PRO 513 Ca -0.41 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.32 3jx1 h PRO 513 Cb 1.20 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.42 3jx1 h PRO 513 CO 0.75 0.04 -0.78 0.54 -0.21 0.00 0.00 178.00 178.35 3jx1 n ARG 514 N -3.97 -6.19 -2.46 1.05 1.74 -1.26 -5.04 116.66 100.53 3jx1 n ARG 514 Ca -0.03 0.75 -0.07 0.00 -0.77 0.00 0.00 57.85 57.73 3jx1 n ARG 514 Cb 0.13 -5.62 -0.01 0.00 -1.02 0.00 0.00 32.46 25.94 3jx1 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx1 n GLY 515 N -1.45 3.70 0.13 -0.13 0.00 -1.26 -5.08 105.19 101.10 3jx1 n GLY 515 Ca -0.22 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.58 3jx1 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx1 h ARG 516 N 0.00 0.00 -1.54 1.61 2.43 -1.93 -3.38 114.38 111.57 3jx1 h ARG 516 Ca -0.10 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.63 3jx1 h ARG 516 Cb 0.31 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.46 3jx1 h ARG 516 CO 0.16 0.54 -1.14 1.19 -1.51 0.00 0.00 179.97 179.20 3jx1 n PHE 517 N -3.22 1.01 -2.92 2.20 3.01 -1.26 -4.25 117.46 112.03 3jx1 n PHE 517 Ca 0.01 -3.33 -0.42 0.00 1.01 0.00 0.00 57.45 54.73 3jx1 n PHE 517 Cb 0.76 -0.39 -0.05 0.00 -0.01 0.00 0.00 39.48 39.79 3jx1 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx1 s ASP 518 N -2.86 6.78 0.05 4.37 1.01 -1.26 -4.94 116.67 119.82 3jx1 s ASP 518 Ca 0.35 0.95 -0.31 0.00 0.71 0.00 0.00 52.55 54.26 3jx1 s ASP 518 Cb 0.40 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.84 3jx1 s ASP 518 CO -0.04 -0.52 1.47 -0.69 0.21 0.00 0.00 175.17 175.61 3jx1 s VAL 519 N 2.84 3.41 0.59 -1.27 1.01 -1.26 -0.77 120.40 124.95 3jx1 s VAL 519 Ca 0.34 0.87 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 3jx1 s VAL 519 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3jx1 s VAL 519 CO 0.08 0.01 1.14 -0.76 0.00 0.00 0.00 175.10 175.58 3jx1 s LEU 520 N 2.16 3.62 0.68 3.92 1.43 0.58 -4.88 118.68 126.20 3jx1 s LEU 520 Ca 0.67 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 3jx1 s LEU 520 Cb -0.35 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.29 3jx1 s LEU 520 CO 0.29 -1.44 1.05 -2.16 0.23 0.00 0.00 176.35 174.32 3jx1 s PRO 521 N -3.52 3.07 0.21 1.29 0.04 -1.26 -4.75 135.00 130.08 3jx1 s PRO 521 Ca 0.72 0.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 3jx1 s PRO 521 Cb -0.25 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3jx1 s PRO 521 CO 0.33 -0.98 0.87 -0.51 0.04 0.00 0.00 177.00 176.75 3jx1 s LEU 522 N -5.46 4.61 -0.29 -3.56 1.43 0.14 -4.86 118.68 110.71 3jx1 s LEU 522 Ca 0.57 1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 55.48 3jx1 s LEU 522 Cb -0.13 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.63 3jx1 s LEU 522 CO 0.55 0.17 -0.02 -0.22 0.23 0.00 0.00 176.35 177.05 3jx1 s LEU 523 N -1.21 3.72 -0.09 1.79 2.96 -1.26 -1.22 118.68 123.37 3jx1 s LEU 523 Ca 0.39 -1.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.14 3jx1 s LEU 523 Cb -0.24 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3jx1 s LEU 523 CO 0.29 -0.23 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.11 3jx1 s LEU 524 N 1.25 2.02 -0.20 -0.68 1.43 -0.44 -1.11 118.68 120.96 3jx1 s LEU 524 Ca -0.05 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3jx1 s LEU 524 Cb -0.19 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 3jx1 s LEU 524 CO -0.02 0.15 -0.09 -1.58 0.23 0.00 0.00 176.35 175.04 3jx1 s GLN 525 N 0.36 3.28 -0.08 1.70 0.74 0.16 -0.76 119.66 125.06 3jx1 s GLN 525 Ca -0.18 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.58 3jx1 s GLN 525 Cb -0.17 -2.87 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 3jx1 s GLN 525 CO 0.08 -0.17 -0.16 0.00 -0.55 0.00 0.00 175.29 174.49 3jx1 s ALA 526 N 1.35 2.57 -1.39 1.58 0.00 -1.26 -0.94 121.76 123.66 3jx1 s ALA 526 Ca 0.04 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 3jx1 s ALA 526 Cb -0.14 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 22.03 3jx1 s ALA 526 CO -0.05 0.43 0.57 -1.71 0.00 0.00 0.00 175.76 175.00 3jx1 n ASN 527 N 2.81 -4.61 0.00 0.00 4.05 -1.22 -1.05 115.26 115.24 3jx1 n ASN 527 Ca -0.18 -0.39 0.00 0.00 0.45 0.00 0.00 54.58 54.47 3jx1 n ASN 527 Cb 0.52 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.77 3jx1 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx1 n GLY 528 N -1.34 0.71 3.73 8.20 0.00 -0.02 -4.56 105.19 111.91 3jx1 n GLY 528 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3jx1 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx1 s ASN 529 N -2.70 3.82 0.35 1.61 0.01 -0.21 -4.88 114.94 112.94 3jx1 s ASN 529 Ca 0.00 1.78 -0.28 0.00 -0.71 0.00 0.00 52.86 53.65 3jx1 s ASN 529 Cb 0.00 -2.42 -0.12 0.00 0.41 0.00 0.00 41.25 39.12 3jx1 s ASN 529 CO 0.00 -2.46 1.32 0.47 -1.51 0.00 0.00 177.10 174.92 3jx1 n ASP 530 N -3.79 2.91 -4.74 -1.22 8.00 -1.26 -4.35 116.55 112.09 3jx1 n ASP 530 Ca 0.09 1.21 -0.30 0.00 0.71 0.00 0.00 54.79 56.50 3jx1 n ASP 530 Cb 0.53 -1.51 0.13 0.00 -0.02 0.00 0.00 41.12 40.26 3jx1 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx1 s PRO 531 N -1.93 1.49 0.04 -0.24 0.04 -1.26 -4.74 135.00 128.41 3jx1 s PRO 531 Ca 0.55 0.83 0.05 0.00 0.04 0.00 0.00 61.00 62.47 3jx1 s PRO 531 Cb -0.55 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3jx1 s PRO 531 CO 0.62 -2.08 -0.14 -1.21 0.04 0.00 0.00 177.00 174.24 3jx1 s GLU 532 N -4.96 0.90 0.10 4.56 2.02 0.06 -4.83 118.70 116.54 3jx1 s GLU 532 Ca 0.63 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.65 3jx1 s GLU 532 Cb -0.17 -0.90 -0.07 0.00 0.10 0.00 0.00 34.13 33.09 3jx1 s GLU 532 CO 0.56 0.22 0.61 -0.51 0.02 0.00 0.00 175.26 176.16 3jx1 s LEU 533 N -1.20 4.53 -0.05 1.80 1.43 -1.26 -1.32 118.68 122.60 3jx1 s LEU 533 Ca 0.01 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.40 3jx1 s LEU 533 Cb -0.08 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.16 3jx1 s LEU 533 CO 0.01 0.25 0.13 -0.36 0.23 0.00 0.00 176.35 176.62 3jx1 s PHE 534 N -1.14 -0.15 -0.22 0.29 0.40 -0.35 -4.97 117.98 111.84 3jx1 s PHE 534 Ca 0.31 0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.86 3jx1 s PHE 534 Cb -0.20 0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 3jx1 s PHE 534 CO 0.20 -0.10 0.44 -1.14 0.70 0.00 0.00 175.22 175.32 3jx1 s GLN 535 N 0.45 4.13 0.24 0.44 0.74 -1.26 0.29 119.66 124.69 3jx1 s GLN 535 Ca -0.03 0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.30 3jx1 s GLN 535 Cb -0.05 -3.58 -0.11 0.00 1.10 0.00 0.00 33.01 30.37 3jx1 s GLN 535 CO -0.02 -0.15 1.63 0.42 -0.55 0.00 0.00 175.29 176.62 3jx1 s ILE 536 N 1.68 2.15 0.16 -2.34 1.01 -1.26 -4.90 121.20 117.70 3jx1 s ILE 536 Ca 0.20 0.12 -0.34 0.00 0.00 0.00 0.00 60.65 60.63 3jx1 s ILE 536 Cb -0.15 -3.08 -0.14 0.00 0.01 0.00 0.00 42.46 39.11 3jx1 s ILE 536 CO 0.09 0.01 1.60 -2.65 0.00 0.00 0.00 174.94 173.99 3jx1 n PRO 537 N 3.11 2.24 -0.01 2.79 -0.02 -1.26 -4.83 135.00 137.02 3jx1 n PRO 537 Ca 0.12 0.81 0.08 0.00 -2.02 0.00 0.00 63.50 62.48 3jx1 n PRO 537 Cb 0.37 -2.59 0.48 0.00 -0.02 0.00 0.00 33.50 31.74 3jx1 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx1 h PRO 538 N 6.08 0.42 0.00 0.52 0.11 -1.95 0.35 132.00 137.54 3jx1 h PRO 538 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jx1 h PRO 538 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3jx1 h PRO 538 CO 0.90 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 178.12 3jx1 n GLU 539 N -4.48 0.06 0.07 1.05 0.00 -1.26 -1.28 120.64 114.80 3jx1 n GLU 539 Ca 0.05 0.37 0.12 0.00 0.00 0.00 0.00 57.16 57.70 3jx1 n GLU 539 Cb 0.19 -1.62 0.08 0.00 0.00 0.00 0.00 31.44 30.09 3jx1 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx1 n LEU 540 N -1.73 0.74 -4.36 -1.84 4.32 0.11 -4.77 117.00 109.47 3jx1 n LEU 540 Ca 0.02 0.23 -0.45 0.00 -0.02 0.00 0.00 56.01 55.78 3jx1 n LEU 540 Cb 0.14 -0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 41.78 3jx1 n LEU 540 CO 0.12 -0.09 0.45 -0.69 -1.22 0.00 0.00 177.39 175.96 3jx1 s VAL 541 N -3.25 5.08 -0.00 4.08 1.01 -0.41 -4.78 120.40 122.13 3jx1 s VAL 541 Ca 0.03 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 3jx1 s VAL 541 Cb 0.12 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3jx1 s VAL 541 CO 0.76 -1.12 1.18 -0.22 0.00 0.00 0.00 175.10 175.71 3jx1 s LEU 542 N 1.84 4.33 0.18 3.92 2.96 -1.26 -5.00 118.68 125.64 3jx1 s LEU 542 Ca 0.15 1.89 0.08 0.00 -0.22 0.00 0.00 54.13 56.03 3jx1 s LEU 542 Cb -0.19 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 3jx1 s LEU 542 CO -0.01 -0.51 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.74 3jx1 s GLU 543 N 1.62 1.28 -0.14 1.98 2.02 -1.26 -0.78 118.70 123.41 3jx1 s GLU 543 Ca 0.57 -1.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 3jx1 s GLU 543 Cb -0.26 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.77 3jx1 s GLU 543 CO 0.26 0.23 -0.07 0.08 0.02 0.00 0.00 175.26 175.78 3jx1 s VAL 544 N -2.41 1.09 0.17 2.63 1.01 0.11 -4.89 120.40 118.11 3jx1 s VAL 544 Ca 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3jx1 s VAL 544 Cb -0.04 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 3jx1 s VAL 544 CO 0.07 0.26 1.20 -2.84 0.00 0.00 0.00 175.10 173.78 3jx1 s PRO 545 N 1.66 4.48 -0.16 2.72 0.02 -1.26 -1.13 135.00 141.33 3jx1 s PRO 545 Ca 0.03 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.76 3jx1 s PRO 545 Cb -0.14 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 3jx1 s PRO 545 CO -0.08 -0.11 0.41 0.42 -0.33 0.00 0.00 177.00 177.32 3jx1 s ILE 546 N 0.05 5.21 0.20 2.83 -1.09 -0.22 -4.87 121.20 123.30 3jx1 s ILE 546 Ca 0.53 0.78 0.02 0.00 -2.23 0.00 0.00 60.65 59.75 3jx1 s ILE 546 Cb -0.32 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 3jx1 s ILE 546 CO 0.36 0.30 0.02 0.00 -1.23 0.00 0.00 174.94 174.39 3jx1 s ARG 547 N 0.93 1.22 -0.07 2.79 3.03 -1.26 -4.13 118.95 121.46 3jx1 s ARG 547 Ca 0.21 -1.61 0.02 0.00 2.03 0.00 0.00 55.73 56.38 3jx1 s ARG 547 Cb -0.15 -0.32 -0.02 0.00 -1.03 0.00 0.00 34.95 33.43 3jx1 s ARG 547 CO 0.08 -0.17 -0.13 -1.58 -1.13 0.00 0.00 175.30 172.37 3jx1 s HIS 548 N -3.65 2.76 0.40 5.89 2.46 -1.25 -4.43 115.29 117.48 3jx1 s HIS 548 Ca 0.28 -0.25 0.07 0.00 0.47 0.00 0.00 55.06 55.63 3jx1 s HIS 548 Cb 0.06 -1.70 0.82 0.00 -0.13 0.00 0.00 32.58 31.64 3jx1 s HIS 548 CO 0.07 0.11 2.04 -1.00 -2.47 0.00 0.00 174.74 173.48 3jx1 h PRO 549 N 5.68 0.54 0.00 2.88 0.13 -1.92 -3.28 132.00 136.04 3jx1 h PRO 549 Ca -0.42 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.37 3jx1 h PRO 549 Cb 1.17 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 3jx1 h PRO 549 CO 0.52 0.39 -2.15 1.63 -0.23 0.00 0.00 178.00 178.16 3jx1 n LYS 550 N -4.45 0.73 -3.08 0.86 5.02 -1.26 -4.90 118.16 111.07 3jx1 n LYS 550 Ca 0.03 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 3jx1 n LYS 550 Cb 0.08 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 3jx1 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx1 s PHE 551 N -2.40 3.01 0.32 2.13 2.99 -1.24 -4.93 117.98 117.85 3jx1 s PHE 551 Ca -0.23 -0.29 0.19 0.00 0.00 0.00 0.00 56.93 56.60 3jx1 s PHE 551 Cb 0.07 -3.58 0.93 0.00 0.00 0.00 0.00 43.02 40.44 3jx1 s PHE 551 CO 0.52 -1.04 1.87 0.22 -0.00 0.00 0.00 175.22 176.79 3jx1 h ASP 552 N 9.02 0.00 1.01 1.36 1.82 -1.91 -2.96 116.42 124.76 3jx1 h ASP 552 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3jx1 h ASP 552 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 3jx1 h ASP 552 CO 0.96 0.29 0.00 -2.67 -1.61 0.00 0.00 179.24 176.22 3jx1 n TRP 553 N -3.77 0.51 -0.34 0.28 4.27 -1.26 -3.87 117.44 113.26 3jx1 n TRP 553 Ca -0.01 0.17 -0.01 0.00 -3.89 0.00 0.00 57.50 53.76 3jx1 n TRP 553 Cb 0.39 -0.77 0.15 0.00 -1.36 0.00 0.00 31.31 29.71 3jx1 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx1 h PHE 554 N 0.00 1.18 -0.78 -2.67 3.57 -1.89 -1.81 116.94 114.55 3jx1 h PHE 554 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3jx1 h PHE 554 Cb 0.51 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3jx1 h PHE 554 CO 0.00 0.73 0.51 1.57 -2.23 0.00 0.00 178.31 178.89 3jx1 h LYS 555 N 1.26 0.72 0.00 1.11 2.10 -1.72 -2.68 116.57 117.37 3jx1 h LYS 555 Ca 0.35 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3jx1 h LYS 555 Cb -0.12 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.05 3jx1 h LYS 555 CO -0.08 0.48 0.00 -0.25 -2.00 0.00 0.00 179.45 177.60 3jx1 n ASP 556 N -4.50 0.00 0.27 7.07 8.00 -0.68 -1.63 116.55 125.09 3jx1 n ASP 556 Ca 0.12 -0.09 0.18 0.00 0.71 0.00 0.00 54.79 55.71 3jx1 n ASP 556 Cb 0.29 -0.24 0.81 0.00 -0.02 0.00 0.00 41.12 41.97 3jx1 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx1 h LEU 557 N 0.00 0.00 0.32 0.64 3.38 -1.56 -3.47 115.31 114.62 3jx1 h LEU 557 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3jx1 h LEU 557 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3jx1 h LEU 557 CO 0.00 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.04 3jx1 n GLY 558 N -0.36 0.68 3.76 0.83 0.00 -0.65 -5.00 105.19 104.45 3jx1 n GLY 558 Ca -0.00 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3jx1 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx1 s LEU 559 N -1.21 4.51 0.18 0.99 1.43 -1.26 -4.99 118.68 118.32 3jx1 s LEU 559 Ca 0.00 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3jx1 s LEU 559 Cb 0.00 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3jx1 s LEU 559 CO 0.00 -0.04 0.17 -1.59 0.23 0.00 0.00 176.35 175.12 3jx1 s LYS 560 N -1.56 1.14 0.11 1.70 -2.85 -1.26 -1.06 119.74 115.96 3jx1 s LYS 560 Ca 0.46 -1.45 -0.05 0.00 -1.00 0.00 0.00 55.97 53.92 3jx1 s LYS 560 Cb -0.26 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.79 3jx1 s LYS 560 CO 0.33 -0.38 0.13 -0.46 0.10 0.00 0.00 175.35 175.07 3jx1 s TRP 561 N -4.08 0.48 0.33 1.78 -0.11 -0.28 -4.91 118.94 112.15 3jx1 s TRP 561 Ca 0.29 -0.90 -0.13 0.00 1.22 0.00 0.00 56.10 56.57 3jx1 s TRP 561 Cb 0.06 -0.24 -0.08 0.00 -1.50 0.00 0.00 33.47 31.71 3jx1 s TRP 561 CO 0.06 -0.55 0.71 1.52 -4.62 0.00 0.00 176.95 174.08 3jx1 s TYR 562 N -3.95 3.40 -0.07 5.86 -0.85 -1.26 0.05 117.35 120.54 3jx1 s TYR 562 Ca 0.13 1.12 0.12 0.00 -0.52 0.00 0.00 57.07 57.93 3jx1 s TYR 562 Cb 0.06 -2.47 -0.04 0.00 0.38 0.00 0.00 41.96 39.89 3jx1 s TYR 562 CO -0.05 0.07 1.34 0.78 -1.52 0.00 0.00 175.55 176.17 3jx1 h GLY 563 N 2.05 0.00 -7.56 5.49 0.00 -1.30 -3.45 103.07 98.29 3jx1 h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 3jx1 h GLY 563 CO 0.65 0.00 -0.52 -2.27 0.00 0.00 0.00 176.54 174.41 3jx1 s LEU 564 N -6.49 4.78 -0.20 3.11 2.96 -1.26 -4.54 118.68 117.03 3jx1 s LEU 564 Ca 0.02 -1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.53 3jx1 s LEU 564 Cb 0.08 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3jx1 s LEU 564 CO 0.77 -0.42 0.77 -2.16 -1.32 0.00 0.00 176.35 173.99 3jx1 s PRO 565 N 1.49 4.23 -0.31 0.98 0.04 -1.26 -4.70 135.00 135.48 3jx1 s PRO 565 Ca 0.01 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 3jx1 s PRO 565 Cb -0.20 -3.60 0.11 0.00 0.04 0.00 0.00 34.50 30.85 3jx1 s PRO 565 CO 0.05 -0.36 0.14 0.00 0.04 0.00 0.00 177.00 176.87 3jx1 s ALA 566 N 2.30 0.76 -0.10 8.56 0.00 -1.26 -2.92 121.76 129.11 3jx1 s ALA 566 Ca 0.34 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 3jx1 s ALA 566 Cb -0.16 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3jx1 s ALA 566 CO 0.10 -1.75 1.11 0.08 0.00 0.00 0.00 175.76 175.31 3jx1 s VAL 567 N 1.84 4.51 -0.07 0.00 1.01 -0.02 -0.97 120.40 126.71 3jx1 s VAL 567 Ca 0.11 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.90 3jx1 s VAL 567 Cb -0.18 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3jx1 s VAL 567 CO -0.28 -0.02 0.35 -1.54 0.00 0.00 0.00 175.10 173.61 3jx1 n SER 568 N 5.29 0.70 -1.18 3.32 3.41 -0.08 -1.35 113.62 123.72 3jx1 n SER 568 Ca 0.10 -0.85 0.10 0.00 -0.26 0.00 0.00 58.87 57.97 3jx1 n SER 568 Cb 0.47 0.35 0.28 0.00 -0.26 0.00 0.00 64.21 65.05 3jx1 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx1 n ASN 569 N -0.33 3.70 -4.96 4.04 6.94 -1.21 -4.45 115.26 119.00 3jx1 n ASN 569 Ca 0.00 -1.99 -0.22 0.00 -0.02 0.00 0.00 54.58 52.35 3jx1 n ASN 569 Cb 0.01 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 37.01 3jx1 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx1 s MET 570 N -1.03 3.29 -0.14 -3.83 -1.94 -1.26 -3.95 119.30 110.44 3jx1 s MET 570 Ca 0.43 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 53.77 3jx1 s MET 570 Cb 0.22 -2.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 3jx1 s MET 570 CO 0.29 0.09 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.17 3jx1 s LEU 571 N -4.27 3.15 -0.33 -0.03 0.20 0.50 -4.38 118.68 113.52 3jx1 s LEU 571 Ca 0.42 -0.15 -0.12 0.00 0.69 0.00 0.00 54.13 54.97 3jx1 s LEU 571 Cb -0.10 -1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 3jx1 s LEU 571 CO 0.34 0.19 0.21 -0.22 -0.29 0.00 0.00 176.35 176.58 3jx1 s LEU 572 N 0.22 4.39 -0.26 -0.68 2.96 -0.42 0.19 118.68 125.08 3jx1 s LEU 572 Ca -0.04 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 3jx1 s LEU 572 Cb -0.14 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 3jx1 s LEU 572 CO 0.03 -0.22 0.18 -0.70 -1.32 0.00 0.00 176.35 174.32 3jx1 s GLU 573 N 1.69 4.02 -0.09 1.98 2.12 0.35 -0.92 118.70 127.85 3jx1 s GLU 573 Ca 0.06 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 3jx1 s GLU 573 Cb -0.17 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.65 3jx1 s GLU 573 CO 0.09 -0.05 -0.04 0.42 -0.54 0.00 0.00 175.26 175.14 3jx1 s ILE 574 N 1.38 0.70 -1.66 -3.70 1.01 -0.72 -1.77 121.20 116.44 3jx1 s ILE 574 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 3jx1 s ILE 574 Cb -0.15 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.54 3jx1 s ILE 574 CO 0.07 0.31 0.20 0.61 0.00 0.00 0.00 174.94 176.13 3jx1 n GLY 575 N 5.02 -0.51 3.06 6.18 0.00 -1.26 -0.61 105.19 117.07 3jx1 n GLY 575 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3jx1 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx1 n GLY 576 N -1.16 0.98 3.84 -0.02 0.00 -1.26 -3.01 105.19 104.55 3jx1 n GLY 576 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3jx1 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx1 s LEU 577 N 0.00 4.30 -0.21 0.99 1.43 0.22 -5.03 118.68 120.39 3jx1 s LEU 577 Ca 0.00 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3jx1 s LEU 577 Cb 0.00 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3jx1 s LEU 577 CO 0.00 0.05 -0.09 -1.61 0.23 0.00 0.00 176.35 174.92 3jx1 s GLU 578 N -2.15 3.26 -0.60 1.70 2.02 -1.26 -1.75 118.70 119.91 3jx1 s GLU 578 Ca 0.41 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 3jx1 s GLU 578 Cb -0.14 -2.86 0.16 0.00 0.10 0.00 0.00 34.13 31.38 3jx1 s GLU 578 CO 0.20 -0.19 0.48 -0.06 0.02 0.00 0.00 175.26 175.71 3jx1 s PHE 579 N 1.39 3.50 -1.11 1.61 0.40 -0.10 0.37 117.98 124.04 3jx1 s PHE 579 Ca 0.05 -2.15 0.21 0.00 -0.60 0.00 0.00 56.93 54.44 3jx1 s PHE 579 Cb -0.14 -3.49 0.93 0.00 0.51 0.00 0.00 43.02 40.83 3jx1 s PHE 579 CO -0.06 -0.95 1.66 -1.13 0.70 0.00 0.00 175.22 175.45 3jx1 n SER 580 N 4.26 0.00 -3.71 1.36 3.41 -1.26 -1.30 113.62 116.37 3jx1 n SER 580 Ca 0.02 0.37 -0.28 0.00 -0.26 0.00 0.00 58.87 58.72 3jx1 n SER 580 Cb 0.41 -0.44 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 3jx1 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx1 s ALA 581 N -2.89 0.97 -0.41 7.33 0.00 -1.20 -4.58 121.76 120.99 3jx1 s ALA 581 Ca 0.13 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.42 3jx1 s ALA 581 Cb 0.14 -1.22 0.37 0.00 0.00 0.00 0.00 23.12 22.41 3jx1 s ALA 581 CO 0.36 -1.24 1.16 0.00 0.00 0.00 0.00 175.76 176.03 3jx1 n PRO 583 N -0.11 1.96 -4.25 0.00 -0.04 -1.14 -4.61 135.00 126.80 3jx1 n PRO 583 Ca 0.05 0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3jx1 n PRO 583 Cb 0.78 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 3jx1 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx1 s PHE 584 N -0.13 1.25 -0.01 0.54 -0.12 -0.46 -1.18 117.98 117.86 3jx1 s PHE 584 Ca 0.68 -0.84 -0.20 0.00 -0.05 0.00 0.00 56.93 56.52 3jx1 s PHE 584 Cb -0.66 -0.67 0.04 0.00 -0.63 0.00 0.00 43.02 41.09 3jx1 s PHE 584 CO 0.51 -0.01 0.43 -1.54 -0.05 0.00 0.00 175.22 174.56 3jx1 s SER 585 N -3.17 -0.34 0.00 1.98 1.04 0.31 -0.84 113.70 112.68 3jx1 s SER 585 Ca 0.19 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3jx1 s SER 585 Cb 0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3jx1 s SER 585 CO 0.02 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3jx1 n GLY 586 N 1.05 3.86 3.21 7.32 0.00 -1.15 -1.51 105.19 117.97 3jx1 n GLY 586 Ca -0.20 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 3jx1 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx1 s TRP 587 N 3.00 0.62 0.39 1.61 -2.14 -1.26 -4.50 118.94 116.67 3jx1 s TRP 587 Ca 0.00 -1.02 -0.22 0.00 2.66 0.00 0.00 56.10 57.52 3jx1 s TRP 587 Cb 0.00 -0.30 -0.11 0.00 -3.10 0.00 0.00 33.47 29.96 3jx1 s TRP 587 CO 0.00 -0.57 0.94 0.71 -2.66 0.00 0.00 176.95 175.37 3jx1 s TYR 588 N -3.99 3.43 -0.00 1.66 1.51 -1.26 -4.90 117.35 113.79 3jx1 s TYR 588 Ca 0.19 1.65 -0.20 0.00 -1.01 0.00 0.00 57.07 57.69 3jx1 s TYR 588 Cb 0.06 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3jx1 s TYR 588 CO -0.01 -0.01 0.58 1.41 -1.11 0.00 0.00 175.55 176.41 3jx1 s MET 589 N -2.83 4.29 0.28 -0.62 -2.45 -1.26 -1.44 119.30 115.26 3jx1 s MET 589 Ca 0.58 0.71 0.01 0.00 -1.25 0.00 0.00 55.69 55.75 3jx1 s MET 589 Cb -0.12 -3.33 0.65 0.00 1.25 0.00 0.00 34.83 33.28 3jx1 s MET 589 CO 0.16 0.40 1.70 0.78 1.05 0.00 0.00 175.02 179.11 3jx1 h GLY 590 N 5.53 1.40 2.00 2.11 0.00 -1.03 -1.81 103.07 111.27 3jx1 h GLY 590 Ca -0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3jx1 h GLY 590 CO 0.69 -0.24 -0.02 -0.91 0.00 0.00 0.00 176.54 176.06 3jx1 h THR 591 N 0.37 0.60 -0.78 4.70 1.35 -1.94 -1.13 112.91 116.08 3jx1 h THR 591 Ca 0.52 -0.08 0.06 0.00 -0.55 0.00 0.00 66.41 66.36 3jx1 h THR 591 Cb 0.96 1.05 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 3jx1 h THR 591 CO -0.52 0.02 0.47 -0.33 -0.25 0.00 0.00 175.52 174.91 3jx1 h GLU 592 N 0.00 0.83 0.00 4.72 5.08 -1.74 -0.02 114.58 123.45 3jx1 h GLU 592 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3jx1 h GLU 592 Cb 0.05 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3jx1 h GLU 592 CO 0.00 0.55 -0.17 0.82 -1.00 0.00 0.00 179.01 179.21 3jx1 h ILE 593 N 0.86 0.73 -0.24 3.13 2.04 -1.57 -1.52 117.51 120.94 3jx1 h ILE 593 Ca 0.34 -1.59 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 3jx1 h ILE 593 Cb 0.18 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3jx1 h ILE 593 CO -0.18 0.25 -0.45 1.23 0.00 0.00 0.00 178.15 179.01 3jx1 h GLY 594 N -1.00 0.66 0.00 5.37 0.00 -1.25 0.47 103.07 107.33 3jx1 h GLY 594 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3jx1 h GLY 594 CO -0.02 0.63 -0.45 -2.08 0.00 0.00 0.00 176.54 174.62 3jx1 h VAL 595 N 0.49 0.00 0.15 4.60 2.07 -1.23 -3.35 116.25 118.98 3jx1 h VAL 595 Ca 0.03 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3jx1 h VAL 595 Cb 0.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3jx1 h VAL 595 CO 0.09 0.00 -0.07 0.03 0.02 0.00 0.00 177.57 177.64 3jx1 h ARG 596 N -0.99 -0.19 -0.58 1.57 2.47 -1.43 -1.72 114.38 113.51 3jx1 h ARG 596 Ca 0.00 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3jx1 h ARG 596 Cb 0.45 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 3jx1 h ARG 596 CO 0.00 -0.10 0.01 -0.91 0.56 0.00 0.00 179.97 179.53 3jx1 h ASN 597 N -1.05 0.96 0.36 7.04 2.35 -1.11 -1.82 115.58 122.32 3jx1 h ASN 597 Ca -0.02 -0.26 -0.32 0.00 -0.55 0.00 0.00 56.30 55.15 3jx1 h ASN 597 Cb 0.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3jx1 h ASN 597 CO 0.03 1.01 -1.65 1.88 -1.65 0.00 0.00 177.43 177.05 3jx1 h TYR 598 N 0.91 0.46 0.00 1.19 0.99 -1.07 -2.25 116.97 117.20 3jx1 h TYR 598 Ca 0.17 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.56 3jx1 h TYR 598 Cb 0.52 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.23 3jx1 h TYR 598 CO 0.03 1.46 -0.67 0.00 -0.00 0.00 0.00 178.16 178.98 3jx1 n ASP 600 N -1.36 3.00 0.24 0.00 9.92 -0.69 -4.67 116.55 122.99 3jx1 n ASP 600 Ca 0.02 1.19 0.06 0.00 -0.53 0.00 0.00 54.79 55.53 3jx1 n ASP 600 Cb 0.19 -1.50 0.56 0.00 -0.64 0.00 0.00 41.12 39.73 3jx1 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3jx1 h ASN 601 N 3.08 0.00 -0.09 -2.24 2.35 -1.92 -2.56 115.58 114.19 3jx1 h ASN 601 Ca -0.47 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3jx1 h ASN 601 Cb 1.27 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3jx1 h ASN 601 CO 0.66 0.11 0.00 -1.54 -1.65 0.00 0.00 177.43 175.01 3jx1 n SER 602 N -4.41 0.90 0.00 5.81 3.41 -1.26 -4.70 113.62 113.36 3jx1 n SER 602 Ca -0.03 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 3jx1 n SER 602 Cb 0.18 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3jx1 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx1 n ARG 603 N -0.18 2.59 0.28 4.33 5.12 -0.98 -4.13 116.66 123.69 3jx1 n ARG 603 Ca 0.15 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.23 3jx1 n ARG 603 Cb 0.20 0.00 0.75 0.00 -1.16 0.00 0.00 32.46 32.25 3jx1 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx1 h TYR 604 N 0.00 0.00 -6.07 -1.55 -1.99 -1.56 -3.42 116.97 102.38 3jx1 h TYR 604 Ca 0.00 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 60.33 3jx1 h TYR 604 Cb 0.00 0.00 0.10 0.00 2.00 0.00 0.00 36.73 38.83 3jx1 h TYR 604 CO 0.00 0.06 -0.91 -1.71 -0.00 0.00 0.00 178.16 175.61 3jx1 n ASN 605 N -3.25 -4.76 -0.94 3.88 5.15 0.42 -4.89 115.26 110.86 3jx1 n ASN 605 Ca -0.01 -0.93 0.12 0.00 -0.60 0.00 0.00 54.58 53.16 3jx1 n ASN 605 Cb 0.27 -3.82 0.10 0.00 -0.53 0.00 0.00 39.78 35.81 3jx1 n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3jx1 n ILE 606 N -4.02 0.02 -0.20 -1.44 -5.35 -0.66 -4.58 119.36 103.13 3jx1 n ILE 606 Ca -0.13 -0.51 0.01 0.00 -0.27 0.00 0.00 62.75 61.85 3jx1 n ILE 606 Cb 0.61 1.46 0.11 0.00 -1.74 0.00 0.00 39.64 40.09 3jx1 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx1 h LEU 607 N 4.57 -0.12 -0.09 7.28 3.38 -1.88 -1.02 115.31 127.41 3jx1 h LEU 607 Ca 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3jx1 h LEU 607 Cb 0.97 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3jx1 h LEU 607 CO 0.00 -0.05 0.04 -0.33 0.09 0.00 0.00 178.44 178.18 3jx1 h GLU 608 N 0.19 0.14 -0.84 1.13 5.08 -1.99 -0.41 114.58 117.89 3jx1 h GLU 608 Ca 0.33 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3jx1 h GLU 608 Cb 0.52 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3jx1 h GLU 608 CO -0.47 0.25 0.41 1.49 -1.00 0.00 0.00 179.01 179.69 3jx1 h GLU 609 N -0.00 1.20 -0.03 2.33 4.81 -1.76 0.20 114.58 121.33 3jx1 h GLU 609 Ca 0.03 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3jx1 h GLU 609 Cb 0.16 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3jx1 h GLU 609 CO -0.00 0.91 -0.00 0.28 -0.73 0.00 0.00 179.01 179.47 3jx1 h VAL 610 N 1.18 1.27 -0.53 0.32 2.07 -0.96 -1.66 116.25 117.96 3jx1 h VAL 610 Ca 0.29 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3jx1 h VAL 610 Cb 0.10 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3jx1 h VAL 610 CO -0.04 0.22 0.20 0.00 0.02 0.00 0.00 177.57 177.97 3jx1 h ALA 611 N 0.67 1.36 -0.10 1.67 0.00 -0.98 0.29 119.26 122.17 3jx1 h ALA 611 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3jx1 h ALA 611 Cb 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3jx1 h ALA 611 CO 0.00 0.48 -0.07 0.87 0.00 0.00 0.00 179.25 180.53 3jx1 h LYS 612 N 0.75 -0.07 0.00 0.00 1.57 -0.53 -1.88 116.57 116.42 3jx1 h LYS 612 Ca 0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3jx1 h LYS 612 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3jx1 h LYS 612 CO -0.01 -0.04 -0.22 0.87 -0.57 0.00 0.00 179.45 179.47 3jx1 h LYS 613 N -0.07 0.00 -0.00 3.15 1.79 -0.84 -1.87 116.57 118.72 3jx1 h LYS 613 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3jx1 h LYS 613 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3jx1 h LYS 613 CO -0.14 0.22 -0.01 -1.33 -1.08 0.00 0.00 179.45 177.10 3jx1 n MET 614 N -3.93 1.02 -4.10 3.15 2.81 0.05 -4.94 117.12 111.18 3jx1 n MET 614 Ca -0.02 -0.20 -0.33 0.00 -1.81 0.00 0.00 57.70 55.34 3jx1 n MET 614 Cb 0.30 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 3jx1 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx1 n ASP 615 N -0.81 -3.29 -4.80 7.83 2.03 -0.70 -4.96 116.55 111.85 3jx1 n ASP 615 Ca 0.21 -0.95 -0.32 0.00 0.52 0.00 0.00 54.79 54.25 3jx1 n ASP 615 Cb 0.19 -3.10 0.03 0.00 -0.72 0.00 0.00 41.12 37.52 3jx1 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx1 s LEU 616 N -7.23 3.33 -0.29 -2.67 1.43 -0.88 -4.97 118.68 107.40 3jx1 s LEU 616 Ca 0.62 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 3jx1 s LEU 616 Cb -0.33 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.35 3jx1 s LEU 616 CO 0.90 -1.37 1.71 -0.62 0.23 0.00 0.00 176.35 177.19 3jx1 s ASP 617 N -3.17 6.11 0.00 2.29 3.68 -1.26 -4.85 116.67 119.47 3jx1 s ASP 617 Ca 0.62 1.40 0.16 0.00 2.13 0.00 0.00 52.55 56.86 3jx1 s ASP 617 Cb -0.16 -2.53 0.25 0.00 -1.45 0.00 0.00 42.92 39.03 3jx1 s ASP 617 CO 0.45 -1.52 1.15 0.23 0.13 0.00 0.00 175.17 175.61 3jx1 n MET 618 N 8.12 1.84 0.20 4.34 2.81 -1.26 -4.53 117.12 128.64 3jx1 n MET 618 Ca 0.21 -1.79 0.08 0.00 -1.81 0.00 0.00 57.70 54.39 3jx1 n MET 618 Cb 0.46 -1.35 0.28 0.00 -0.71 0.00 0.00 33.22 31.90 3jx1 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx1 h ARG 619 N 3.18 0.00 -4.22 0.03 3.08 -2.04 -3.44 114.38 110.98 3jx1 h ARG 619 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3jx1 h ARG 619 Cb 0.75 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.50 3jx1 h ARG 619 CO 0.00 0.27 -0.76 -1.59 -1.07 0.00 0.00 179.97 176.82 3jx1 s LYS 620 N -3.35 0.47 0.51 0.04 -2.85 -1.26 -5.03 119.74 108.28 3jx1 s LYS 620 Ca 0.03 -0.15 0.19 0.00 -1.00 0.00 0.00 55.97 55.03 3jx1 s LYS 620 Cb 0.08 -0.48 1.29 0.00 -2.06 0.00 0.00 37.83 36.66 3jx1 s LYS 620 CO 0.67 0.06 2.08 1.79 0.10 0.00 0.00 175.35 180.06 3jx1 h THR 621 N 5.30 0.91 0.00 3.79 1.35 -1.92 -2.63 112.91 119.70 3jx1 h THR 621 Ca -0.31 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3jx1 h THR 621 Cb 1.18 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3jx1 h THR 621 CO 0.50 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.23 3jx1 n SER 622 N -4.48 0.46 0.10 5.36 3.41 -1.26 -0.64 113.62 116.57 3jx1 n SER 622 Ca 0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 3jx1 n SER 622 Cb 0.29 -0.72 0.46 0.00 -0.26 0.00 0.00 64.21 63.97 3jx1 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx1 n SER 623 N -2.03 0.61 -1.99 4.04 3.41 -0.99 -4.92 113.62 111.76 3jx1 n SER 623 Ca 0.02 0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 59.07 3jx1 n SER 623 Cb 0.16 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3jx1 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx1 n LEU 624 N -2.13 -1.90 -0.34 1.04 4.77 0.19 -4.90 117.00 113.73 3jx1 n LEU 624 Ca 0.04 -0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3jx1 n LEU 624 Cb 0.30 -2.42 0.21 0.00 -2.33 0.00 0.00 43.42 39.17 3jx1 n LEU 624 CO 0.23 -0.10 1.20 4.11 -1.33 0.00 0.00 177.39 181.51 3jx1 h TRP 625 N -0.24 1.05 -0.32 -1.77 5.08 -1.81 -0.39 115.95 117.55 3jx1 h TRP 625 Ca -0.40 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.61 3jx1 h TRP 625 Cb 1.29 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 3jx1 h TRP 625 CO 0.43 0.42 0.21 0.87 -1.28 0.00 0.00 178.44 179.10 3jx1 h LYS 626 N 0.93 0.42 -0.83 0.12 1.57 -1.90 -1.59 116.57 115.29 3jx1 h LYS 626 Ca 0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 3jx1 h LYS 626 Cb 0.43 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3jx1 h LYS 626 CO -0.26 0.28 0.44 -0.44 -0.57 0.00 0.00 179.45 178.91 3jx1 h ASP 627 N 0.43 1.05 -0.27 0.86 5.19 -1.56 -0.43 116.42 121.70 3jx1 h ASP 627 Ca 0.12 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3jx1 h ASP 627 Cb -0.05 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 3jx1 h ASP 627 CO -0.03 0.86 0.03 1.56 -3.12 0.00 0.00 179.24 178.55 3jx1 h GLN 628 N 1.16 0.45 -0.31 3.56 4.20 -0.83 -2.07 115.11 121.27 3jx1 h GLN 628 Ca 0.29 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3jx1 h GLN 628 Cb 0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3jx1 h GLN 628 CO -0.04 0.58 -0.20 0.00 -0.67 0.00 0.00 178.83 178.49 3jx1 h ALA 629 N 0.85 1.09 -0.14 3.87 0.00 -1.24 -2.45 119.26 121.25 3jx1 h ALA 629 Ca 0.08 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3jx1 h ALA 629 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3jx1 h ALA 629 CO 0.01 0.56 0.02 1.25 0.00 0.00 0.00 179.25 181.09 3jx1 h LEU 630 N 0.51 -0.01 -0.57 0.00 5.85 -0.87 -1.56 115.31 118.65 3jx1 h LEU 630 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3jx1 h LEU 630 Cb 0.63 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3jx1 h LEU 630 CO 0.04 0.02 0.31 0.58 -0.34 0.00 0.00 178.44 179.05 3jx1 h VAL 631 N 0.07 1.19 -0.79 1.05 2.07 -1.10 -2.64 116.25 116.10 3jx1 h VAL 631 Ca 0.06 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3jx1 h VAL 631 Cb 0.06 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3jx1 h VAL 631 CO -0.09 0.20 0.42 -0.33 0.02 0.00 0.00 177.57 177.80 3jx1 h GLU 632 N 0.78 1.10 -0.75 1.57 4.39 -1.17 -0.79 114.58 119.70 3jx1 h GLU 632 Ca 0.20 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3jx1 h GLU 632 Cb 0.05 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3jx1 h GLU 632 CO -0.03 0.81 0.26 0.82 -1.16 0.00 0.00 179.01 179.72 3jx1 h ILE 633 N 1.11 1.26 -0.00 3.13 2.04 -1.15 -1.87 117.51 122.02 3jx1 h ILE 633 Ca 0.28 -0.87 -0.16 0.00 1.00 0.00 0.00 64.86 65.11 3jx1 h ILE 633 Cb 0.04 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3jx1 h ILE 633 CO -0.04 0.35 -0.77 0.78 0.00 0.00 0.00 178.15 178.47 3jx1 h ASN 634 N 1.11 0.01 -0.36 1.72 4.21 -1.06 -2.05 115.58 119.17 3jx1 h ASN 634 Ca 0.25 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 3jx1 h ASN 634 Cb 0.27 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 3jx1 h ASN 634 CO -0.01 0.77 0.16 0.40 -1.29 0.00 0.00 177.43 177.47 3jx1 h ILE 635 N 0.01 1.17 -0.60 2.81 2.04 -1.00 -2.52 117.51 119.42 3jx1 h ILE 635 Ca -0.01 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3jx1 h ILE 635 Cb 1.35 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3jx1 h ILE 635 CO 0.10 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.81 3jx1 h ALA 636 N 1.01 0.78 -0.04 1.87 0.00 -1.08 0.35 119.26 122.15 3jx1 h ALA 636 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3jx1 h ALA 636 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jx1 h ALA 636 CO -0.01 0.12 0.02 0.28 0.00 0.00 0.00 179.25 179.66 3jx1 h VAL 637 N 0.74 1.12 -0.47 0.00 2.07 -1.30 -0.22 116.25 118.19 3jx1 h VAL 637 Ca 0.24 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3jx1 h VAL 637 Cb 0.00 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3jx1 h VAL 637 CO -0.09 0.10 0.18 -0.07 0.02 0.00 0.00 177.57 177.71 3jx1 h LEU 638 N -0.06 0.65 -0.91 2.57 3.38 -1.22 -2.33 115.31 117.38 3jx1 h LEU 638 Ca 0.02 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3jx1 h LEU 638 Cb 0.14 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3jx1 h LEU 638 CO -0.00 0.64 0.58 0.22 0.09 0.00 0.00 178.44 179.97 3jx1 h TYR 639 N 0.61 1.07 -0.16 1.13 3.20 -0.74 -1.23 116.97 120.85 3jx1 h TYR 639 Ca 0.16 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 3jx1 h TYR 639 Cb 0.20 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3jx1 h TYR 639 CO 0.00 0.56 -0.44 0.77 -1.64 0.00 0.00 178.16 177.41 3jx1 h SER 640 N 1.06 0.67 -0.11 -2.11 0.02 -0.80 -0.39 113.55 111.90 3jx1 h SER 640 Ca 0.39 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3jx1 h SER 640 Cb 0.14 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3jx1 h SER 640 CO -0.16 1.13 0.02 -0.26 -1.14 0.00 0.00 176.83 176.42 3jx1 h PHE 641 N 0.23 0.18 -0.33 3.45 -1.00 -1.33 -2.17 116.94 115.98 3jx1 h PHE 641 Ca -0.01 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.78 3jx1 h PHE 641 Cb 1.06 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.54 3jx1 h PHE 641 CO 0.10 0.35 0.13 1.96 -1.61 0.00 0.00 178.31 179.25 3jx1 h GLN 642 N -0.04 0.28 -0.79 1.51 4.20 -1.20 0.01 115.11 119.08 3jx1 h GLN 642 Ca 0.03 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.78 3jx1 h GLN 642 Cb 0.27 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3jx1 h GLN 642 CO 0.00 0.18 0.52 0.77 -0.67 0.00 0.00 178.83 179.63 3jx1 h SER 643 N 0.29 0.79 -0.19 1.46 0.02 -1.05 -1.10 113.55 113.76 3jx1 h SER 643 Ca 0.14 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3jx1 h SER 643 Cb 0.09 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3jx1 h SER 643 CO -0.13 0.53 0.00 0.47 -1.14 0.00 0.00 176.83 176.56 3jx1 n ASP 644 N -4.47 1.70 -3.70 3.07 8.00 -0.82 -4.94 116.55 115.40 3jx1 n ASP 644 Ca 0.11 -1.75 -0.24 0.00 0.71 0.00 0.00 54.79 53.62 3jx1 n ASP 644 Cb 0.17 -0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.19 3jx1 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx1 n LYS 645 N 0.36 -6.02 -4.24 -1.24 5.02 -0.42 -4.99 118.16 106.63 3jx1 n LYS 645 Ca 0.16 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 3jx1 n LYS 645 Cb 0.33 -5.53 -0.12 0.00 -0.02 0.00 0.00 35.03 29.68 3jx1 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx1 s VAL 646 N -3.44 3.89 0.21 -0.18 1.01 -0.13 -4.27 120.40 117.50 3jx1 s VAL 646 Ca 0.31 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.63 3jx1 s VAL 646 Cb -0.15 -2.73 -0.13 0.00 0.00 0.00 0.00 36.38 33.37 3jx1 s VAL 646 CO 0.79 0.46 1.54 0.41 0.00 0.00 0.00 175.10 178.30 3jx1 n THR 647 N 3.89 0.46 -3.60 3.92 -1.04 -0.14 -4.29 114.28 113.49 3jx1 n THR 647 Ca -0.17 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.05 61.60 3jx1 n THR 647 Cb 0.52 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 3jx1 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx1 s ILE 648 N 0.49 0.05 -0.03 12.58 2.07 -1.26 -4.38 121.20 130.72 3jx1 s ILE 648 Ca 0.73 -0.39 0.02 0.00 -1.41 0.00 0.00 60.65 59.60 3jx1 s ILE 648 Cb -0.62 -1.05 0.01 0.00 0.13 0.00 0.00 42.46 40.92 3jx1 s ILE 648 CO 0.43 -0.21 -0.09 0.54 -1.91 0.00 0.00 174.94 173.69 3jx1 s VAL 649 N -3.14 0.80 0.70 4.00 0.11 -0.52 -5.00 120.40 117.34 3jx1 s VAL 649 Ca -0.01 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 58.57 3jx1 s VAL 649 Cb 0.00 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 3jx1 s VAL 649 CO -0.07 0.25 1.08 1.51 -3.33 0.00 0.00 175.10 174.54 3jx1 s ASP 650 N 0.28 5.45 0.49 3.54 -4.77 -1.26 -0.37 116.67 120.03 3jx1 s ASP 650 Ca -0.05 1.29 0.28 0.00 -3.30 0.00 0.00 52.55 50.78 3jx1 s ASP 650 Cb -0.10 -2.15 1.02 0.00 -1.09 0.00 0.00 42.92 40.60 3jx1 s ASP 650 CO 0.01 -1.36 1.86 1.12 0.70 0.00 0.00 175.17 177.50 3jx1 h HIS 651 N -0.66 0.00 0.12 2.11 2.07 -1.98 -0.69 115.15 116.12 3jx1 h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3jx1 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jx1 h HIS 651 CO 0.55 0.10 -0.06 0.45 -3.07 0.00 0.00 177.93 175.90 3jx1 h HIS 652 N 0.00 -0.15 -0.36 6.12 3.86 -1.96 -2.83 115.15 119.84 3jx1 h HIS 652 Ca -0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3jx1 h HIS 652 Cb 0.69 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 3jx1 h HIS 652 CO 0.00 0.34 0.17 1.03 0.86 0.00 0.00 177.93 180.34 3jx1 h SER 653 N -0.79 0.25 -0.54 2.45 0.87 -1.94 -1.76 113.55 112.09 3jx1 h SER 653 Ca -0.02 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3jx1 h SER 653 Cb 0.56 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 3jx1 h SER 653 CO 0.03 0.19 0.30 0.00 -0.53 0.00 0.00 176.83 176.81 3jx1 h ALA 654 N 1.19 0.69 -0.15 6.23 0.00 -1.22 -1.20 119.26 124.79 3jx1 h ALA 654 Ca 0.15 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3jx1 h ALA 654 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3jx1 h ALA 654 CO -0.11 -0.03 -0.71 1.79 0.00 0.00 0.00 179.25 180.20 3jx1 h THR 655 N 0.58 1.31 -0.55 0.00 1.35 -1.38 -1.26 112.91 112.96 3jx1 h THR 655 Ca 0.23 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 3jx1 h THR 655 Cb 0.10 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3jx1 h THR 655 CO -0.14 0.61 0.26 -0.08 -0.25 0.00 0.00 175.52 175.93 3jx1 h GLU 656 N 0.47 0.78 -0.70 4.72 4.81 -1.11 -0.77 114.58 122.79 3jx1 h GLU 656 Ca -0.03 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3jx1 h GLU 656 Cb 1.31 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3jx1 h GLU 656 CO 0.14 0.64 0.33 0.77 -0.73 0.00 0.00 179.01 180.16 3jx1 h SER 657 N 0.73 0.92 -0.99 1.04 0.02 -1.18 -2.60 113.55 111.48 3jx1 h SER 657 Ca 0.19 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3jx1 h SER 657 Cb 0.12 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3jx1 h SER 657 CO -0.02 0.80 0.65 0.15 -1.14 0.00 0.00 176.83 177.27 3jx1 h PHE 658 N 0.97 1.23 -0.60 3.45 3.57 -0.76 0.18 116.94 124.98 3jx1 h PHE 658 Ca 0.24 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3jx1 h PHE 658 Cb 0.13 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 3jx1 h PHE 658 CO 0.01 0.74 0.25 0.82 -2.23 0.00 0.00 178.31 177.90 3jx1 h ILE 659 N 1.30 1.22 -0.22 1.41 1.08 -0.87 0.21 117.51 121.65 3jx1 h ILE 659 Ca 0.38 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3jx1 h ILE 659 Cb -0.07 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3jx1 h ILE 659 CO -0.10 0.27 0.15 0.11 -0.69 0.00 0.00 178.15 177.88 3jx1 h LYS 660 N 0.82 0.29 -0.26 2.37 1.57 -1.08 0.08 116.57 120.37 3jx1 h LYS 660 Ca 0.20 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3jx1 h LYS 660 Cb 0.18 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3jx1 h LYS 660 CO -0.02 0.20 -0.12 1.25 -0.57 0.00 0.00 179.45 180.19 3jx1 h HIS 661 N 0.30 -0.29 -0.30 -1.35 2.76 -0.39 -1.55 115.15 114.33 3jx1 h HIS 661 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3jx1 h HIS 661 Cb -0.03 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3jx1 h HIS 661 CO -0.06 -0.19 0.19 1.98 -1.30 0.00 0.00 177.93 178.55 3jx1 h MET 662 N -0.09 0.40 -0.61 5.26 1.85 -0.18 -0.08 114.93 121.48 3jx1 h MET 662 Ca 0.14 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.20 3jx1 h MET 662 Cb 0.29 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.20 3jx1 h MET 662 CO -0.31 0.28 0.40 0.93 -0.40 0.00 0.00 176.91 177.81 3jx1 h GLU 663 N 0.40 0.80 -0.36 0.39 5.08 -0.83 -1.31 114.58 118.74 3jx1 h GLU 663 Ca 0.11 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3jx1 h GLU 663 Cb -0.03 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 3jx1 h GLU 663 CO -0.02 0.53 0.08 -0.97 -1.00 0.00 0.00 179.01 177.63 3jx1 h ASN 664 N 0.82 0.04 -0.89 1.42 -0.00 -0.82 -2.00 115.58 114.15 3jx1 h ASN 664 Ca 0.22 0.05 0.02 0.00 -0.00 0.00 0.00 56.30 56.60 3jx1 h ASN 664 Cb -0.10 0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 38.24 3jx1 h ASN 664 CO -0.05 0.06 0.59 -0.33 -0.00 0.00 0.00 177.43 177.70 3jx1 h GLU 665 N 0.21 1.12 -0.04 6.67 4.39 -0.54 0.38 114.58 126.77 3jx1 h GLU 665 Ca 0.17 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3jx1 h GLU 665 Cb 0.18 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3jx1 h GLU 665 CO -0.21 0.74 0.02 1.88 -1.16 0.00 0.00 179.01 180.29 3jx1 h TYR 666 N 1.16 0.06 -0.38 4.33 -1.99 -0.97 0.24 116.97 119.40 3jx1 h TYR 666 Ca 0.34 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.09 3jx1 h TYR 666 Cb -0.06 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 3jx1 h TYR 666 CO -0.00 0.09 0.20 0.00 -0.00 0.00 0.00 178.16 178.45 3jx1 h ARG 667 N 0.00 0.39 0.00 4.88 3.08 -0.58 -2.02 114.38 120.13 3jx1 h ARG 667 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3jx1 h ARG 667 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3jx1 h ARG 667 CO -0.00 0.26 -1.35 0.00 -1.07 0.00 0.00 179.97 177.81 3jx1 n ARG 669 N -1.78 2.45 -0.57 0.00 0.63 0.78 -5.03 116.66 113.15 3jx1 n ARG 669 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3jx1 n ARG 669 Cb 0.38 -0.77 0.00 0.00 0.45 0.00 0.00 32.46 32.52 3jx1 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx1 n GLY 670 N 1.73 0.74 0.00 5.14 0.00 -0.76 -4.58 105.19 107.46 3jx1 n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jx1 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx1 n GLY 671 N -2.33 0.91 3.00 -0.02 0.00 -1.18 0.17 105.19 105.75 3jx1 n GLY 671 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 3jx1 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx1 s PRO 673 N 2.45 4.24 -0.13 0.00 0.04 -1.26 -4.65 135.00 135.68 3jx1 s PRO 673 Ca 0.11 2.36 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 3jx1 s PRO 673 Cb -0.11 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.38 3jx1 s PRO 673 CO -0.24 -0.45 0.35 0.00 0.04 0.00 0.00 177.00 176.70 3jx1 s ALA 674 N -0.11 -0.87 -0.44 8.56 0.00 -0.52 -4.22 121.76 124.16 3jx1 s ALA 674 Ca 0.59 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.50 3jx1 s ALA 674 Cb -0.43 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.17 3jx1 s ALA 674 CO 0.45 -0.18 0.31 0.34 0.00 0.00 0.00 175.76 176.68 3jx1 s ASP 675 N 0.37 5.72 0.23 0.00 -1.08 -0.36 -3.54 116.67 118.02 3jx1 s ASP 675 Ca -0.02 -1.63 -0.07 0.00 -0.52 0.00 0.00 52.55 50.31 3jx1 s ASP 675 Cb -0.04 -2.02 0.22 0.00 -1.46 0.00 0.00 42.92 39.62 3jx1 s ASP 675 CO -0.01 -0.61 1.90 -0.25 0.52 0.00 0.00 175.17 176.71 3jx1 h TRP 676 N 8.47 1.18 -0.96 -5.34 7.01 -1.93 -0.31 115.95 124.07 3jx1 h TRP 676 Ca -0.23 0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.01 3jx1 h TRP 676 Cb 1.08 -0.39 -0.08 0.00 -2.10 0.00 0.00 29.16 27.67 3jx1 h TRP 676 CO 0.63 0.76 0.63 0.28 -2.79 0.00 0.00 178.44 177.95 3jx1 h VAL 677 N 1.25 0.63 0.02 2.65 2.07 -1.93 -1.87 116.25 119.07 3jx1 h VAL 677 Ca 0.33 -0.14 -0.37 0.00 0.82 0.00 0.00 66.70 67.34 3jx1 h VAL 677 Cb -0.10 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 3jx1 h VAL 677 CO -0.07 0.07 -2.30 0.79 0.02 0.00 0.00 177.57 176.08 3jx1 n TRP 678 N -4.54 0.29 -0.13 1.57 7.02 -0.62 -4.45 117.44 116.58 3jx1 n TRP 678 Ca 0.21 0.08 -0.09 0.00 -1.02 0.00 0.00 57.50 56.68 3jx1 n TRP 678 Cb 0.76 -1.04 -0.01 0.00 -2.42 0.00 0.00 31.31 28.60 3jx1 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx1 h ILE 679 N 0.01 1.20 -2.65 -0.99 1.08 -0.84 -3.42 117.51 111.91 3jx1 h ILE 679 Ca -0.52 -0.62 -0.53 0.00 -0.39 0.00 0.00 64.86 62.80 3jx1 h ILE 679 Cb 2.04 0.87 0.02 0.00 -3.07 0.00 0.00 36.82 36.68 3jx1 h ILE 679 CO -0.01 0.22 1.03 -0.69 -0.69 0.00 0.00 178.15 178.02 3jx1 s VAL 680 N -5.52 3.09 0.76 1.67 1.01 -0.73 -4.93 120.40 115.76 3jx1 s VAL 680 Ca -0.13 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 3jx1 s VAL 680 Cb 0.10 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3jx1 s VAL 680 CO 0.75 -0.01 1.23 -2.84 0.00 0.00 0.00 175.10 174.23 3jx1 s PRO 681 N 2.97 1.92 0.00 2.72 0.02 -1.26 -4.92 135.00 136.46 3jx1 s PRO 681 Ca 0.75 1.85 0.15 0.00 0.02 0.00 0.00 61.00 63.77 3jx1 s PRO 681 Cb -0.39 -1.80 0.62 0.00 0.02 0.00 0.00 34.50 32.95 3jx1 s PRO 681 CO 0.33 -2.02 1.44 -0.35 -0.33 0.00 0.00 177.00 176.06 3jx1 n PRO 682 N -2.87 1.48 -4.15 5.54 -0.04 -1.26 -4.30 135.00 129.40 3jx1 n PRO 682 Ca 0.14 -0.74 -0.15 0.00 -0.04 0.00 0.00 63.50 62.72 3jx1 n PRO 682 Cb 0.50 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 3jx1 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx1 s MET 683 N -1.80 0.77 -1.46 0.54 0.23 -1.26 -4.93 119.30 111.39 3jx1 s MET 683 Ca 0.25 -1.05 -0.04 0.00 -1.03 0.00 0.00 55.69 53.82 3jx1 s MET 683 Cb 0.13 -0.52 0.02 0.00 -1.53 0.00 0.00 34.83 32.93 3jx1 s MET 683 CO 0.19 0.09 0.39 0.43 -2.03 0.00 0.00 175.02 174.09 3jx1 n SER 684 N 0.85 -5.20 -0.21 -1.18 7.64 -1.26 -4.87 113.62 109.38 3jx1 n SER 684 Ca -0.18 -0.20 -0.06 0.00 1.01 0.00 0.00 58.87 59.45 3jx1 n SER 684 Cb 0.57 -4.27 -0.05 0.00 -1.01 0.00 0.00 64.21 59.45 3jx1 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx1 n GLY 685 N -1.26 -2.62 0.00 0.23 0.00 -1.26 -2.05 105.19 98.23 3jx1 n GLY 685 Ca -0.12 0.84 0.12 0.00 0.00 0.00 0.00 46.02 46.87 3jx1 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx1 n SER 686 N -4.14 0.00 -0.71 1.61 3.41 -1.26 -1.84 113.62 110.69 3jx1 n SER 686 Ca 0.01 0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.74 3jx1 n SER 686 Cb 0.13 -0.32 0.29 0.00 -0.26 0.00 0.00 64.21 64.05 3jx1 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx1 n ILE 687 N -1.32 0.36 -4.07 -1.33 -5.35 -0.87 -4.82 119.36 101.97 3jx1 n ILE 687 Ca 0.11 -0.47 -0.32 0.00 -0.27 0.00 0.00 62.75 61.80 3jx1 n ILE 687 Cb 0.21 0.44 -0.07 0.00 -1.74 0.00 0.00 39.64 38.48 3jx1 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx1 s THR 688 N -1.64 4.72 0.35 7.28 -4.23 -0.76 -5.02 115.64 116.33 3jx1 s THR 688 Ca 0.32 -0.54 0.28 0.00 -1.18 0.00 0.00 61.69 60.57 3jx1 s THR 688 Cb 0.17 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 71.10 3jx1 s THR 688 CO 0.25 0.25 2.03 1.55 -0.54 0.00 0.00 174.62 178.16 3jx1 h PRO 689 N 3.72 0.00 0.00 3.99 0.13 -1.87 -3.08 132.00 134.89 3jx1 h PRO 689 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3jx1 h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jx1 h PRO 689 CO 0.65 0.13 -0.37 -0.39 -0.23 0.00 0.00 178.00 177.78 3jx1 h VAL 690 N 0.00 1.25 -0.94 1.56 -1.51 -1.88 -2.91 116.25 111.82 3jx1 h VAL 690 Ca -0.00 -1.29 0.15 0.00 -1.23 0.00 0.00 66.70 64.33 3jx1 h VAL 690 Cb 0.41 1.70 -0.10 0.00 -2.13 0.00 0.00 31.29 31.18 3jx1 h VAL 690 CO 0.02 0.37 0.54 0.15 -1.23 0.00 0.00 177.57 177.42 3jx1 h PHE 691 N 0.00 0.97 -0.02 5.19 3.57 -1.73 -1.62 116.94 123.28 3jx1 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jx1 h PHE 691 Cb 0.67 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3jx1 h PHE 691 CO 0.00 0.27 0.00 0.72 -2.23 0.00 0.00 178.31 177.07 3jx1 n HIS 692 N -4.77 0.02 -3.45 0.41 8.25 -1.10 -4.82 115.22 109.75 3jx1 n HIS 692 Ca 0.20 -0.01 -0.39 0.00 -0.26 0.00 0.00 57.72 57.25 3jx1 n HIS 692 Cb 0.46 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 3jx1 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx1 s GLN 693 N -1.98 3.81 0.43 -0.41 2.00 -0.61 -1.12 119.66 121.77 3jx1 s GLN 693 Ca 0.39 -0.26 -0.25 0.00 -2.00 0.00 0.00 55.36 53.24 3jx1 s GLN 693 Cb 0.21 -3.72 -0.08 0.00 0.80 0.00 0.00 33.01 30.22 3jx1 s GLN 693 CO 0.33 -0.35 1.25 -1.21 -0.50 0.00 0.00 175.29 174.81 3jx1 s GLU 694 N 1.95 3.86 0.05 1.67 2.02 -0.49 -4.99 118.70 122.76 3jx1 s GLU 694 Ca 0.11 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3jx1 s GLU 694 Cb -0.16 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3jx1 s GLU 694 CO 0.11 -0.54 -0.05 -1.64 0.02 0.00 0.00 175.26 173.16 3jx1 s MET 695 N -2.41 0.54 -0.11 1.61 -1.94 -1.26 -4.62 119.30 111.11 3jx1 s MET 695 Ca 0.60 -0.97 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 3jx1 s MET 695 Cb -0.35 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.51 3jx1 s MET 695 CO 0.44 -0.05 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.69 3jx1 s LEU 696 N -2.25 1.94 -0.19 -0.03 1.43 -1.26 -4.97 118.68 113.36 3jx1 s LEU 696 Ca -0.02 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3jx1 s LEU 696 Cb -0.01 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3jx1 s LEU 696 CO -0.04 0.09 0.00 0.21 0.23 0.00 0.00 176.35 176.83 3jx1 s ASN 697 N 0.66 4.91 0.19 2.29 3.04 -1.23 -1.44 114.94 123.36 3jx1 s ASN 697 Ca -0.12 -0.16 -0.21 0.00 0.04 0.00 0.00 52.86 52.41 3jx1 s ASN 697 Cb -0.16 -1.83 0.05 0.00 -1.54 0.00 0.00 41.25 37.76 3jx1 s ASN 697 CO 0.03 0.09 0.59 -0.72 -3.04 0.00 0.00 177.10 174.06 3jx1 s TYR 698 N 0.82 -0.34 -0.26 0.43 -0.85 -1.26 -4.98 117.35 110.91 3jx1 s TYR 698 Ca 0.01 0.04 -0.08 0.00 -0.52 0.00 0.00 57.07 56.51 3jx1 s TYR 698 Cb -0.14 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 3jx1 s TYR 698 CO 0.02 -0.94 0.10 1.03 -1.52 0.00 0.00 175.55 174.24 3jx1 s ARG 699 N -3.82 3.67 0.11 -3.49 0.52 -1.26 -4.83 118.95 109.84 3jx1 s ARG 699 Ca 0.05 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 3jx1 s ARG 699 Cb -0.02 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3jx1 s ARG 699 CO -0.06 -0.22 -0.05 -0.51 0.02 0.00 0.00 175.30 174.48 3jx1 s LEU 700 N 1.64 3.25 0.19 2.53 1.43 -1.26 -3.55 118.68 122.91 3jx1 s LEU 700 Ca 0.06 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3jx1 s LEU 700 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3jx1 s LEU 700 CO 0.05 0.17 -0.04 0.42 0.23 0.00 0.00 176.35 177.18 3jx1 s THR 701 N -1.31 3.49 0.71 5.49 -4.23 -1.26 -4.25 115.64 114.29 3jx1 s THR 701 Ca 0.24 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.02 3jx1 s THR 701 Cb -0.11 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 3jx1 s THR 701 CO 0.16 -0.14 0.74 -2.65 -0.54 0.00 0.00 174.62 172.20 3jx1 n PRO 702 N -0.14 0.42 -3.79 3.99 -0.02 -1.26 -5.00 135.00 129.19 3jx1 n PRO 702 Ca -0.10 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3jx1 n PRO 702 Cb 0.56 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3jx1 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx1 s SER 703 N -1.53 -0.02 -0.21 2.55 1.04 -0.73 -3.86 113.70 110.95 3jx1 s SER 703 Ca 0.69 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.58 3jx1 s SER 703 Cb -0.35 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3jx1 s SER 703 CO 0.54 -0.71 0.13 -0.36 0.98 0.00 0.00 173.24 173.82 3jx1 s PHE 704 N -3.41 3.37 0.02 5.02 0.40 -1.26 -0.49 117.98 121.63 3jx1 s PHE 704 Ca 0.01 0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.70 3jx1 s PHE 704 Cb 0.02 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 3jx1 s PHE 704 CO -0.09 0.22 -0.26 -1.21 0.70 0.00 0.00 175.22 174.58 3jx1 s GLU 705 N 0.51 1.90 0.43 0.44 0.41 0.13 -4.92 118.70 117.60 3jx1 s GLU 705 Ca 0.07 -1.05 -0.26 0.00 -0.41 0.00 0.00 54.97 53.32 3jx1 s GLU 705 Cb -0.12 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 3jx1 s GLU 705 CO -0.00 0.53 1.44 -0.47 -0.49 0.00 0.00 175.26 176.27 3jx1 s TYR 706 N -0.74 2.49 0.12 1.61 5.04 -1.26 -0.37 117.35 124.24 3jx1 s TYR 706 Ca 0.11 1.24 0.06 0.00 -2.44 0.00 0.00 57.07 56.04 3jx1 s TYR 706 Cb -0.10 -3.95 -0.04 0.00 0.35 0.00 0.00 41.96 38.22 3jx1 s TYR 706 CO 0.01 -2.96 -0.14 1.14 -1.34 0.00 0.00 175.55 172.25 3jx1 s GLN 707 N -2.37 1.04 0.65 4.97 -2.07 -1.25 -4.79 119.66 115.84 3jx1 s GLN 707 Ca 0.59 -1.24 -0.15 0.00 -1.82 0.00 0.00 55.36 52.74 3jx1 s GLN 707 Cb -0.44 -0.94 -0.01 0.00 -1.09 0.00 0.00 33.01 30.53 3jx1 s GLN 707 CO 0.58 0.18 1.10 -1.25 -1.32 0.00 0.00 175.29 174.59 3jx1 s PRO 708 N -2.64 2.88 0.23 9.60 0.04 -1.26 -4.94 135.00 138.91 3jx1 s PRO 708 Ca 0.09 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 3jx1 s PRO 708 Cb -0.05 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3jx1 s PRO 708 CO 0.03 -1.18 1.53 -0.25 0.04 0.00 0.00 177.00 177.17 3jx1 n ASP 709 N -2.33 3.23 0.27 6.66 8.00 -1.26 -4.88 116.55 126.24 3jx1 n ASP 709 Ca 0.10 1.12 0.16 0.00 0.71 0.00 0.00 54.79 56.88 3jx1 n ASP 709 Cb 0.52 -1.48 0.73 0.00 -0.02 0.00 0.00 41.12 40.87 3jx1 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx1 h PRO 710 N 5.05 0.00 0.00 -0.24 0.13 -1.92 -2.30 132.00 132.72 3jx1 h PRO 710 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3jx1 h PRO 710 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3jx1 h PRO 710 CO 0.82 0.06 0.00 0.11 -0.23 0.00 0.00 178.00 178.76 3jx1 h TRP 711 N 0.00 0.00 0.01 1.56 0.09 -1.94 0.57 115.95 116.24 3jx1 h TRP 711 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.89 58.79 3jx1 h TRP 711 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.67 3jx1 h TRP 711 CO 0.00 0.00 -0.88 -0.91 0.09 0.00 0.00 178.44 176.74 3jx1 h ASN 712 N 0.00 0.11 0.00 0.11 2.35 -1.79 -3.39 115.58 112.97 3jx1 h ASN 712 Ca 0.00 -0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.45 3jx1 h ASN 712 Cb 0.43 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3jx1 h ASN 712 CO 0.00 0.93 -1.78 0.35 -1.65 0.00 0.00 177.43 175.28 3jx1 n THR 713 N -3.57 0.78 -1.64 2.81 -2.24 -0.56 -5.02 114.28 104.84 3jx1 n THR 713 Ca -0.02 -0.42 -0.47 0.00 -2.27 0.00 0.00 64.05 60.87 3jx1 n THR 713 Cb 0.82 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 3jx1 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3jx1 n HIS 714 N -2.59 1.95 -3.22 4.78 -0.00 0.19 -4.96 115.22 111.38 3jx1 n HIS 714 Ca -0.21 0.44 -0.42 0.00 -0.00 0.00 0.00 57.72 57.53 3jx1 n HIS 714 Cb 0.83 -2.44 -0.08 0.00 -0.00 0.00 0.00 29.99 28.30 3jx1 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3jx1 s VAL 715 N 0.43 4.97 0.06 3.57 1.01 -1.26 -4.99 120.40 124.19 3jx1 s VAL 715 Ca 0.77 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 62.48 3jx1 s VAL 715 Cb -0.75 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 31.48 3jx1 s VAL 715 CO 0.45 -0.41 1.54 0.26 0.00 0.00 0.00 175.10 176.94 3jx1 s TRP 716 N 2.46 2.68 -2.00 5.22 0.52 -1.26 -4.91 118.94 121.65 3jx1 s TRP 716 Ca 0.18 0.56 0.27 0.00 0.02 0.00 0.00 56.10 57.12 3jx1 s TRP 716 Cb -0.15 -3.84 1.60 0.00 -1.15 0.00 0.00 33.47 29.92 3jx1 s TRP 716 CO 0.15 -3.26 1.95 1.63 0.02 0.00 0.00 176.95 177.44