#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx4 s PHE 300 N 0.00 3.67 -0.02 -0.14 0.40 -1.26 -4.83 117.98 115.80 3jx4 s PHE 300 Ca 0.00 1.12 0.02 0.00 -0.60 0.00 0.00 56.93 57.47 3jx4 s PHE 300 Cb 0.00 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 41.13 3jx4 s PHE 300 CO 0.00 0.49 -0.07 -0.51 0.70 0.00 0.00 175.22 175.83 3jx4 s LEU 301 N -1.67 1.79 -0.06 -0.37 1.43 -1.02 -4.94 118.68 113.84 3jx4 s LEU 301 Ca 0.34 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3jx4 s LEU 301 Cb -0.16 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 3jx4 s LEU 301 CO 0.19 0.05 0.17 -0.54 0.23 0.00 0.00 176.35 176.44 3jx4 s LYS 302 N 0.19 3.44 -0.07 1.70 1.02 -1.26 0.25 119.74 125.01 3jx4 s LYS 302 Ca -0.02 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.77 3jx4 s LYS 302 Cb -0.07 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3jx4 s LYS 302 CO 0.00 0.72 -0.18 0.14 -0.92 0.00 0.00 175.35 175.11 3jx4 s VAL 303 N -1.20 1.58 -0.00 3.17 -7.23 0.12 -4.94 120.40 111.90 3jx4 s VAL 303 Ca 0.22 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 3jx4 s VAL 303 Cb -0.12 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 3jx4 s VAL 303 CO 0.12 0.45 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.50 3jx4 s LYS 304 N 0.31 2.43 -0.22 4.82 2.20 -1.26 -0.81 119.74 127.21 3jx4 s LYS 304 Ca -0.12 -0.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.59 3jx4 s LYS 304 Cb -0.15 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 3jx4 s LYS 304 CO 0.05 0.60 0.27 1.21 -0.36 0.00 0.00 175.35 177.11 3jx4 s ASN 305 N -1.23 6.26 0.00 1.43 3.84 -0.22 -1.46 114.94 123.56 3jx4 s ASN 305 Ca 0.15 0.29 0.18 0.00 0.21 0.00 0.00 52.86 53.69 3jx4 s ASN 305 Cb -0.11 -2.16 0.62 0.00 -0.55 0.00 0.00 41.25 39.05 3jx4 s ASN 305 CO 0.05 0.00 1.46 0.79 -2.79 0.00 0.00 177.10 176.61 3jx4 n TRP 306 N 4.36 0.29 -0.09 0.43 7.02 0.38 -1.05 117.44 128.79 3jx4 n TRP 306 Ca -0.12 -0.14 -0.12 0.00 -1.02 0.00 0.00 57.50 56.10 3jx4 n TRP 306 Cb 0.52 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.32 3jx4 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx4 n GLU 307 N 0.36 0.65 0.00 -0.99 2.13 -1.26 -4.73 120.64 116.80 3jx4 n GLU 307 Ca 0.15 0.09 0.04 0.00 0.66 0.00 0.00 57.16 58.09 3jx4 n GLU 307 Cb 0.31 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.66 3jx4 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx4 n THR 308 N -2.95 0.00 -0.42 6.31 -2.24 -1.24 -5.00 114.28 108.74 3jx4 n THR 308 Ca -0.31 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3jx4 n THR 308 Cb 0.86 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 3jx4 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx4 n ASP 309 N -0.27 0.00 -4.73 3.42 9.92 -0.21 -4.96 116.55 119.72 3jx4 n ASP 309 Ca 0.03 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.87 3jx4 n ASP 309 Cb 0.17 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.19 3jx4 n ASP 309 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3jx4 s VAL 310 N -1.87 2.22 -0.07 2.53 1.01 -1.25 -4.71 120.40 118.26 3jx4 s VAL 310 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3jx4 s VAL 310 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3jx4 s VAL 310 CO 0.00 0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.21 3jx4 s VAL 311 N 0.86 1.83 0.08 2.92 1.01 -1.26 -1.05 120.40 124.78 3jx4 s VAL 311 Ca 0.70 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3jx4 s VAL 311 Cb -0.47 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3jx4 s VAL 311 CO 0.36 0.51 -0.23 -0.76 0.00 0.00 0.00 175.10 174.98 3jx4 s LEU 312 N 0.18 2.23 -0.22 3.92 1.43 0.01 -4.94 118.68 121.29 3jx4 s LEU 312 Ca -0.11 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 3jx4 s LEU 312 Cb -0.15 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 3jx4 s LEU 312 CO 0.06 0.15 0.13 -0.89 0.23 0.00 0.00 176.35 176.02 3jx4 s THR 313 N -0.96 5.14 -0.26 5.49 2.01 -1.26 0.14 115.64 125.94 3jx4 s THR 313 Ca 0.09 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 3jx4 s THR 313 Cb -0.10 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3jx4 s THR 313 CO 0.03 0.38 0.36 -0.62 -0.69 0.00 0.00 174.62 174.08 3jx4 s ASP 314 N 0.90 6.24 -0.02 3.53 -1.08 0.68 -4.64 116.67 122.28 3jx4 s ASP 314 Ca 0.06 0.28 0.12 0.00 -0.52 0.00 0.00 52.55 52.49 3jx4 s ASP 314 Cb -0.13 -2.20 -0.18 0.00 -1.46 0.00 0.00 42.92 38.95 3jx4 s ASP 314 CO 0.03 -0.16 0.24 0.35 0.52 0.00 0.00 175.17 176.15 3jx4 n THR 315 N 5.03 0.06 0.24 1.71 -2.24 0.12 -2.45 114.28 116.76 3jx4 n THR 315 Ca -0.09 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 61.51 3jx4 n THR 315 Cb 0.51 0.16 0.61 0.00 -2.10 0.00 0.00 70.33 69.51 3jx4 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx4 h LEU 316 N 0.00 0.00 -2.05 3.22 5.85 -1.68 -3.08 115.31 117.57 3jx4 h LEU 316 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3jx4 h LEU 316 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3jx4 h LEU 316 CO 0.00 0.18 -0.08 1.12 -0.34 0.00 0.00 178.44 179.32 3jx4 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.86 -2.09 115.15 114.52 3jx4 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx4 h HIS 317 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 3jx4 h HIS 317 CO 0.00 0.08 0.00 -0.07 -3.07 0.00 0.00 177.93 174.87 3jx4 h LEU 318 N 0.00 0.00 -0.50 6.12 3.38 -1.86 -0.50 115.31 121.95 3jx4 h LEU 318 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx4 h LEU 318 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3jx4 h LEU 318 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3jx4 n LYS 319 N -2.75 1.32 -2.74 1.13 5.02 -0.79 -4.90 118.16 114.45 3jx4 n LYS 319 Ca 0.01 -0.49 -0.40 0.00 -2.02 0.00 0.00 58.31 55.41 3jx4 n LYS 319 Cb 0.28 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 3jx4 n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jx4 s SER 320 N -1.20 7.63 -0.04 4.39 0.15 -0.20 -4.89 113.70 119.53 3jx4 s SER 320 Ca 0.17 1.94 -0.08 0.00 0.70 0.00 0.00 55.95 58.68 3jx4 s SER 320 Cb 0.08 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 3jx4 s SER 320 CO 0.12 0.13 -0.15 1.07 1.20 0.00 0.00 173.24 175.62 3jx4 n THR 321 N 1.60 1.04 -1.16 6.45 5.66 -1.19 -5.05 114.28 121.63 3jx4 n THR 321 Ca -0.02 0.26 -0.29 0.00 -3.05 0.00 0.00 64.05 60.96 3jx4 n THR 321 Cb 0.47 -1.83 0.17 0.00 -1.55 0.00 0.00 70.33 67.59 3jx4 n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3jx4 s LEU 322 N -6.89 1.73 0.23 1.09 1.43 -1.26 -5.04 118.68 109.98 3jx4 s LEU 322 Ca -0.12 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 3jx4 s LEU 322 Cb 0.02 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 3jx4 s LEU 322 CO 0.18 -3.05 0.59 -1.61 0.23 0.00 0.00 176.35 172.69 3jx4 s GLU 323 N -4.95 3.90 -0.02 1.70 2.02 -1.26 -4.67 118.70 115.43 3jx4 s GLU 323 Ca 0.65 0.43 0.14 0.00 0.02 0.00 0.00 54.97 56.21 3jx4 s GLU 323 Cb -0.19 -2.68 -0.20 0.00 0.10 0.00 0.00 34.13 31.16 3jx4 s GLU 323 CO 0.58 0.32 0.68 0.25 0.02 0.00 0.00 175.26 177.12 3jx4 n THR 324 N 0.06 1.47 0.00 3.63 -2.24 -1.26 -4.95 114.28 110.99 3jx4 n THR 324 Ca -0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3jx4 n THR 324 Cb 0.52 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3jx4 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jx4 n GLY 325 N 1.51 2.75 3.85 3.38 0.00 -1.26 -4.88 105.19 110.54 3jx4 n GLY 325 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3jx4 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx4 s THR 327 N -2.46 0.58 0.53 0.00 -4.23 -0.18 -4.99 115.64 104.90 3jx4 s THR 327 Ca 0.56 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.31 3jx4 s THR 327 Cb -0.10 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 71.78 3jx4 s THR 327 CO 0.29 0.00 2.17 -0.33 -0.54 0.00 0.00 174.62 176.21 3jx4 h GLU 328 N 1.68 0.00 0.00 3.99 3.07 -2.05 -3.12 114.58 118.15 3jx4 h GLU 328 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3jx4 h GLU 328 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3jx4 h GLU 328 CO 0.57 0.04 -1.64 0.72 -1.40 0.00 0.00 179.01 177.30 3jx4 n HIS 329 N -4.08 0.01 -3.76 4.33 8.25 -1.26 -4.96 115.22 113.75 3jx4 n HIS 329 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3jx4 n HIS 329 Cb 0.12 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 30.77 3jx4 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx4 s ILE 330 N -3.34 -0.03 -0.19 1.59 2.07 -1.18 -5.13 121.20 114.99 3jx4 s ILE 330 Ca -0.02 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.19 3jx4 s ILE 330 Cb 0.15 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 3jx4 s ILE 330 CO 0.89 0.04 0.26 0.00 -1.91 0.00 0.00 174.94 174.23 3jx4 n MET 332 N 3.85 2.82 0.18 0.00 2.81 -1.26 -4.76 117.12 120.77 3jx4 n MET 332 Ca -0.12 -2.68 0.18 0.00 -1.81 0.00 0.00 57.70 53.26 3jx4 n MET 332 Cb 0.52 -1.72 0.81 0.00 -0.71 0.00 0.00 33.22 32.12 3jx4 n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3jx4 h GLY 333 N 1.70 0.00 -0.87 3.03 0.00 -1.93 -1.32 103.07 103.68 3jx4 h GLY 333 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jx4 h GLY 333 CO 0.17 0.00 -0.13 -1.14 0.00 0.00 0.00 176.54 175.44 3jx4 n SER 334 N -3.66 1.96 -4.69 0.19 3.41 -1.26 -4.89 113.62 104.68 3jx4 n SER 334 Ca 0.03 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 3jx4 n SER 334 Cb 0.42 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3jx4 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx4 s ILE 335 N -2.17 4.25 0.13 -1.33 -1.09 -0.50 -4.96 121.20 115.53 3jx4 s ILE 335 Ca 0.29 1.59 -0.14 0.00 -2.23 0.00 0.00 60.65 60.16 3jx4 s ILE 335 Cb 0.20 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 3jx4 s ILE 335 CO 0.40 0.04 1.54 0.58 -1.23 0.00 0.00 174.94 176.26 3jx4 h VAL 336 N 4.88 1.27 -2.91 2.92 2.07 -1.90 -3.39 116.25 119.18 3jx4 h VAL 336 Ca -0.36 -1.17 -0.53 0.00 0.82 0.00 0.00 66.70 65.46 3jx4 h VAL 336 Cb 1.18 1.21 -0.40 0.00 -1.52 0.00 0.00 31.29 31.76 3jx4 h VAL 336 CO 0.85 0.39 -0.77 -0.22 0.02 0.00 0.00 177.57 177.84 3jx4 s LEU 337 N -9.27 0.90 -0.04 2.57 2.96 -1.26 -5.16 118.68 109.37 3jx4 s LEU 337 Ca -0.13 -1.27 -0.19 0.00 -0.22 0.00 0.00 54.13 52.33 3jx4 s LEU 337 Cb 0.10 -0.46 -0.12 0.00 0.50 0.00 0.00 46.19 46.21 3jx4 s LEU 337 CO 0.81 -0.42 0.80 -0.65 -1.32 0.00 0.00 176.35 175.58 3jx4 h PRO 338 N 8.34 -0.38 0.00 0.98 0.11 -1.90 -3.54 132.00 135.60 3jx4 h PRO 338 Ca -0.18 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3jx4 h PRO 338 Cb 1.03 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jx4 h PRO 338 CO 0.43 -0.08 0.00 2.41 -0.21 0.00 0.00 178.00 180.54 3jx4 n THR 350 N -5.05 0.00 0.02 -1.15 -1.04 -1.26 -5.05 114.28 100.75 3jx4 n THR 350 Ca -0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.77 3jx4 n THR 350 Cb 0.24 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 3jx4 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx4 h LYS 351 N 7.72 0.66 -0.04 -2.82 1.57 -1.95 -2.10 116.57 119.61 3jx4 h LYS 351 Ca 0.00 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3jx4 h LYS 351 Cb 0.00 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3jx4 h LYS 351 CO 0.00 1.20 0.02 -0.44 -0.57 0.00 0.00 179.45 179.66 3jx4 h ASP 352 N 0.42 0.05 0.21 0.86 3.45 -2.00 -3.16 116.42 116.24 3jx4 h ASP 352 Ca -0.07 -0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.04 3jx4 h ASP 352 Cb 1.47 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 40.19 3jx4 h ASP 352 CO 0.16 0.04 -2.04 0.00 -1.57 0.00 0.00 179.24 175.83 3jx4 n GLN 353 N -4.52 0.69 -0.08 3.56 6.02 -1.23 -4.54 117.38 117.28 3jx4 n GLN 353 Ca -0.02 0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 57.05 3jx4 n GLN 353 Cb 0.10 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 29.63 3jx4 n GLN 353 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3jx4 h LEU 354 N 0.02 0.51 -0.60 1.08 5.85 -1.34 -3.28 115.31 117.56 3jx4 h LEU 354 Ca -0.42 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 57.85 3jx4 h LEU 354 Cb 2.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 3jx4 h LEU 354 CO 0.05 0.83 0.30 0.15 -0.34 0.00 0.00 178.44 179.43 3jx4 h PHE 355 N 0.20 0.85 -0.92 1.25 3.57 -1.79 -0.11 116.94 119.98 3jx4 h PHE 355 Ca 0.05 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3jx4 h PHE 355 Cb 0.65 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 3jx4 h PHE 355 CO 0.07 0.64 0.60 -1.00 -2.23 0.00 0.00 178.31 176.39 3jx4 h PRO 356 N 0.81 1.15 -0.55 6.41 0.13 -1.82 -0.32 132.00 137.82 3jx4 h PRO 356 Ca 0.21 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 3jx4 h PRO 356 Cb 0.10 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 30.94 3jx4 h PRO 356 CO -0.03 0.76 0.32 -0.07 -0.23 0.00 0.00 178.00 178.76 3jx4 h LEU 357 N 1.18 0.67 -0.30 1.56 3.38 -1.43 0.82 115.31 121.20 3jx4 h LEU 357 Ca 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3jx4 h LEU 357 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3jx4 h LEU 357 CO -0.11 0.55 0.16 0.00 0.09 0.00 0.00 178.44 179.13 3jx4 h ALA 358 N 1.15 0.38 -0.43 1.53 0.00 -0.66 -2.23 119.26 119.00 3jx4 h ALA 358 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jx4 h ALA 358 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3jx4 h ALA 358 CO -0.04 -0.09 0.26 -0.22 0.00 0.00 0.00 179.25 179.17 3jx4 h LYS 359 N 0.36 0.59 -0.61 0.00 3.64 -0.63 -1.17 116.57 118.74 3jx4 h LYS 359 Ca 0.10 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3jx4 h LYS 359 Cb 0.06 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3jx4 h LYS 359 CO -0.02 0.43 0.35 1.49 -2.27 0.00 0.00 179.45 179.44 3jx4 h GLU 360 N 0.58 0.66 -0.13 1.90 4.81 -0.72 -1.73 114.58 119.96 3jx4 h GLU 360 Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3jx4 h GLU 360 Cb -0.01 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3jx4 h GLU 360 CO -0.03 0.44 -0.04 0.35 -0.73 0.00 0.00 179.01 179.00 3jx4 h PHE 361 N 0.68 0.28 -0.12 0.92 3.57 -1.06 -2.88 116.94 118.33 3jx4 h PHE 361 Ca 0.26 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3jx4 h PHE 361 Cb 0.09 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3jx4 h PHE 361 CO -0.07 0.55 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.39 3jx4 h LEU 362 N -0.07 0.17 -0.76 0.59 3.38 -1.13 -0.24 115.31 117.24 3jx4 h LEU 362 Ca 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3jx4 h LEU 362 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3jx4 h LEU 362 CO 0.01 0.30 0.29 0.44 0.09 0.00 0.00 178.44 179.58 3jx4 h ASP 363 N 0.18 1.06 1.09 -0.43 5.19 -1.31 -0.05 116.42 122.15 3jx4 h ASP 363 Ca 0.04 -0.18 -0.18 0.00 -0.62 0.00 0.00 57.03 56.09 3jx4 h ASP 363 Cb 0.30 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 3jx4 h ASP 363 CO 0.02 0.95 -0.86 0.06 -3.12 0.00 0.00 179.24 176.28 3jx4 h GLN 364 N 1.10 0.00 0.08 3.56 3.07 -1.05 -2.84 115.11 119.03 3jx4 h GLN 364 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.99 3jx4 h GLN 364 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 3jx4 h GLN 364 CO -0.02 0.86 -0.04 -0.92 0.09 0.00 0.00 178.83 178.81 3jx4 h TYR 365 N 0.00 -0.10 0.00 0.06 3.20 -0.81 -1.71 116.97 117.61 3jx4 h TYR 365 Ca -0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3jx4 h TYR 365 Cb 1.64 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 3jx4 h TYR 365 CO 0.00 0.20 -0.17 1.88 -1.64 0.00 0.00 178.16 178.43 3jx4 h TYR 366 N -0.40 0.00 -0.40 -3.82 -1.99 -1.11 -2.32 116.97 106.93 3jx4 h TYR 366 Ca -0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 3jx4 h TYR 366 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 3jx4 h TYR 366 CO 0.02 0.17 -0.26 1.03 -0.00 0.00 0.00 178.16 179.12 3jx4 h SER 367 N 0.00 0.92 0.23 3.88 0.87 -1.40 0.16 113.55 118.22 3jx4 h SER 367 Ca -0.00 -0.43 -0.13 0.00 -1.23 0.00 0.00 61.79 60.00 3jx4 h SER 367 Cb 0.41 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3jx4 h SER 367 CO 0.02 1.15 -0.50 0.77 -0.53 0.00 0.00 176.83 177.74 3jx4 h SER 368 N 0.70 0.34 -0.13 6.23 4.64 -0.78 -2.14 113.55 122.42 3jx4 h SER 368 Ca 0.08 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3jx4 h SER 368 Cb 0.84 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3jx4 h SER 368 CO 0.07 0.79 0.00 2.30 -0.87 0.00 0.00 176.83 179.12 3jx4 n ILE 369 N -3.96 0.16 -2.57 0.95 -5.35 -0.98 -4.94 119.36 102.68 3jx4 n ILE 369 Ca -0.02 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 3jx4 n ILE 369 Cb 0.55 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.64 3jx4 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx4 n LYS 370 N 0.00 -2.23 -0.59 6.28 5.02 -0.80 -4.93 118.16 120.90 3jx4 n LYS 370 Ca 0.15 0.48 0.05 0.00 -2.02 0.00 0.00 58.31 56.97 3jx4 n LYS 370 Cb 0.24 -4.45 0.09 0.00 -0.02 0.00 0.00 35.03 30.90 3jx4 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx4 n ARG 371 N -2.36 0.75 -1.65 1.97 1.74 0.52 -5.02 116.66 112.61 3jx4 n ARG 371 Ca -0.07 -2.21 -0.47 0.00 -0.77 0.00 0.00 57.85 54.33 3jx4 n ARG 371 Cb 0.57 -0.96 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 3jx4 n ARG 371 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jx4 n PHE 372 N -0.59 2.06 -1.39 -1.55 7.35 -0.90 -1.69 117.46 120.74 3jx4 n PHE 372 Ca 0.10 0.39 -0.10 0.00 -0.76 0.00 0.00 57.45 57.09 3jx4 n PHE 372 Cb 0.77 -2.47 -0.04 0.00 0.35 0.00 0.00 39.48 38.09 3jx4 n PHE 372 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3jx4 n GLY 373 N 2.98 0.97 3.97 7.13 0.00 -1.26 -5.02 105.19 113.96 3jx4 n GLY 373 Ca 0.16 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3jx4 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx4 s SER 374 N -2.86 5.58 0.18 1.61 1.04 -0.68 -4.91 113.70 113.67 3jx4 s SER 374 Ca 0.00 -0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 3jx4 s SER 374 Cb 0.00 -1.09 0.09 0.00 0.10 0.00 0.00 66.02 65.13 3jx4 s SER 374 CO 0.00 -0.87 1.77 0.50 0.98 0.00 0.00 173.24 175.62 3jx4 h LYS 375 N 0.35 0.91 -0.76 4.02 3.64 -1.96 0.77 116.57 123.54 3jx4 h LYS 375 Ca -0.43 -0.13 0.15 0.00 -1.27 0.00 0.00 60.65 58.96 3jx4 h LYS 375 Cb 1.28 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.83 3jx4 h LYS 375 CO 0.53 0.73 0.28 0.00 -2.27 0.00 0.00 179.45 178.71 3jx4 h ALA 376 N 1.13 1.06 0.95 5.00 0.00 -1.95 -1.06 119.26 124.39 3jx4 h ALA 376 Ca 0.22 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3jx4 h ALA 376 Cb 0.12 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3jx4 h ALA 376 CO -0.03 -0.26 -0.46 1.25 0.00 0.00 0.00 179.25 179.76 3jx4 h HIS 377 N 0.39 -1.19 -0.91 0.00 -0.00 -1.34 -2.78 115.15 109.33 3jx4 h HIS 377 Ca 0.43 -0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.91 3jx4 h HIS 377 Cb 0.68 0.39 -0.07 0.00 -0.00 0.00 0.00 27.41 28.41 3jx4 h HIS 377 CO -0.19 -0.74 0.58 0.52 -0.00 0.00 0.00 177.93 178.11 3jx4 h MET 378 N -1.29 0.72 -0.19 5.26 2.07 -0.70 -1.61 114.93 119.19 3jx4 h MET 378 Ca -0.13 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.35 3jx4 h MET 378 Cb 0.98 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 30.55 3jx4 h MET 378 CO 0.21 0.48 -0.30 -0.44 1.07 0.00 0.00 176.91 177.94 3jx4 h ASP 379 N 0.74 0.59 -0.22 1.22 3.45 -1.22 -2.39 116.42 118.59 3jx4 h ASP 379 Ca 0.45 -0.53 -0.03 0.00 0.43 0.00 0.00 57.03 57.36 3jx4 h ASP 379 Cb 0.67 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3jx4 h ASP 379 CO -0.22 1.00 0.05 -0.09 -1.57 0.00 0.00 179.24 178.42 3jx4 h ARG 380 N 0.19 0.44 -0.55 3.56 9.65 -1.16 -0.49 114.38 126.02 3jx4 h ARG 380 Ca 0.02 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 3jx4 h ARG 380 Cb 0.88 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 3jx4 h ARG 380 CO 0.07 0.42 0.02 1.25 2.80 0.00 0.00 179.97 184.53 3jx4 h LEU 381 N 0.43 0.90 0.02 3.80 5.85 -1.07 -1.86 115.31 123.38 3jx4 h LEU 381 Ca 0.10 -0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.35 3jx4 h LEU 381 Cb 0.20 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.01 3jx4 h LEU 381 CO -0.00 0.95 -0.95 -0.08 -0.34 0.00 0.00 178.44 178.02 3jx4 h GLU 382 N 0.86 0.61 -0.42 1.25 4.57 -1.15 -2.73 114.58 117.58 3jx4 h GLU 382 Ca 0.16 -0.68 0.11 0.00 -1.18 0.00 0.00 59.36 57.77 3jx4 h GLU 382 Cb 0.48 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3jx4 h GLU 382 CO 0.02 1.28 0.30 1.49 -1.18 0.00 0.00 179.01 180.92 3jx4 h GLU 383 N 0.24 0.08 0.20 1.92 4.81 -0.93 0.18 114.58 121.08 3jx4 h GLU 383 Ca -0.12 -0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.77 3jx4 h GLU 383 Cb 1.63 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 31.01 3jx4 h GLU 383 CO 0.19 0.05 -1.58 0.28 -0.73 0.00 0.00 179.01 177.21 3jx4 h VAL 384 N 0.08 1.08 -0.92 0.32 2.07 -1.36 -3.03 116.25 114.49 3jx4 h VAL 384 Ca 0.20 -2.55 0.09 0.00 0.82 0.00 0.00 66.70 65.26 3jx4 h VAL 384 Cb 0.69 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 33.26 3jx4 h VAL 384 CO -0.02 0.82 0.59 -1.13 0.02 0.00 0.00 177.57 177.85 3jx4 h ASN 385 N 0.04 0.86 1.53 0.57 -0.73 -1.05 -2.31 115.58 114.49 3jx4 h ASN 385 Ca -0.30 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.89 3jx4 h ASN 385 Cb 2.05 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 40.49 3jx4 h ASN 385 CO 0.19 0.51 0.00 0.11 -0.37 0.00 0.00 177.43 177.87 3jx4 h LYS 386 N 0.95 0.00 0.00 6.67 1.57 -0.72 -2.88 116.57 122.16 3jx4 h LYS 386 Ca 0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.08 3jx4 h LYS 386 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3jx4 h LYS 386 CO -0.18 0.00 -1.37 -1.91 -0.57 0.00 0.00 179.45 175.42 3jx4 n GLU 387 N -2.40 0.62 -0.05 3.15 2.13 -0.99 -3.65 120.64 119.45 3jx4 n GLU 387 Ca 0.05 0.16 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 3jx4 n GLU 387 Cb 0.44 -1.79 -0.11 0.00 0.27 0.00 0.00 31.44 30.25 3jx4 n GLU 387 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3jx4 h ILE 388 N 0.00 1.53 -0.82 6.31 2.04 -1.35 0.17 117.51 125.39 3jx4 h ILE 388 Ca -0.12 -1.93 0.21 0.00 1.00 0.00 0.00 64.86 64.01 3jx4 h ILE 388 Cb 1.41 2.78 -0.05 0.00 -0.74 0.00 0.00 36.82 40.23 3jx4 h ILE 388 CO 0.03 0.48 0.57 -0.33 0.00 0.00 0.00 178.15 178.90 3jx4 h GLU 389 N -0.89 0.18 0.03 2.37 4.39 -1.68 0.07 114.58 119.04 3jx4 h GLU 389 Ca -0.00 -0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.30 3jx4 h GLU 389 Cb 0.80 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 3jx4 h GLU 389 CO 0.00 0.12 -2.28 0.45 -1.16 0.00 0.00 179.01 176.14 3jx4 n SER 390 N -4.39 1.99 -0.52 1.42 2.88 -1.23 -4.67 113.62 109.09 3jx4 n SER 390 Ca 0.17 0.11 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 3jx4 n SER 390 Cb 0.76 -0.66 0.05 0.00 -0.75 0.00 0.00 64.21 63.61 3jx4 n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jx4 n THR 391 N -3.67 0.00 -1.08 2.46 -2.24 0.05 -4.99 114.28 104.81 3jx4 n THR 391 Ca -0.44 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 60.84 3jx4 n THR 391 Cb 0.95 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 70.43 3jx4 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx4 n SER 392 N 0.60 -5.74 -0.88 3.42 3.41 0.01 -4.88 113.62 109.56 3jx4 n SER 392 Ca 0.08 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3jx4 n SER 392 Cb 0.34 -3.49 0.00 0.00 -0.26 0.00 0.00 64.21 60.80 3jx4 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx4 n THR 393 N -2.12 0.00 -3.77 6.66 5.66 -1.26 -4.82 114.28 114.64 3jx4 n THR 393 Ca -0.03 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.89 3jx4 n THR 393 Cb 0.49 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 3jx4 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx4 s TYR 394 N -7.72 -0.23 -0.07 1.09 -0.85 -1.26 -3.48 117.35 104.82 3jx4 s TYR 394 Ca 0.00 -0.16 0.02 0.00 -0.52 0.00 0.00 57.07 56.41 3jx4 s TYR 394 Cb 0.00 0.64 -0.02 0.00 0.38 0.00 0.00 41.96 42.95 3jx4 s TYR 394 CO 0.00 -1.13 -0.13 -0.65 -1.52 0.00 0.00 175.55 172.13 3jx4 s GLN 395 N -3.89 2.76 0.27 -3.49 -1.52 -1.26 -5.07 119.66 107.47 3jx4 s GLN 395 Ca 0.09 -0.67 -0.29 0.00 -1.95 0.00 0.00 55.36 52.55 3jx4 s GLN 395 Cb -0.04 -2.47 -0.09 0.00 -0.22 0.00 0.00 33.01 30.18 3jx4 s GLN 395 CO 0.02 0.53 0.95 -0.51 -0.25 0.00 0.00 175.29 176.03 3jx4 s LEU 396 N -0.47 4.54 0.33 2.90 1.43 -1.26 -5.05 118.68 121.10 3jx4 s LEU 396 Ca 0.06 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 54.81 3jx4 s LEU 396 Cb -0.12 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 3jx4 s LEU 396 CO 0.02 0.08 1.16 -0.54 0.23 0.00 0.00 176.35 177.29 3jx4 s LYS 397 N -1.48 4.38 0.16 1.70 -0.14 -1.26 -4.85 119.74 118.26 3jx4 s LYS 397 Ca 0.44 1.88 -0.14 0.00 -1.36 0.00 0.00 55.97 56.79 3jx4 s LYS 397 Cb -0.24 -2.98 0.14 0.00 -1.68 0.00 0.00 37.83 33.08 3jx4 s LYS 397 CO 0.29 -0.04 1.12 -0.25 -0.76 0.00 0.00 175.35 175.71 3jx4 n ASP 398 N 0.71 -0.51 -0.27 2.83 8.00 -1.26 0.08 116.55 126.12 3jx4 n ASP 398 Ca 0.01 1.26 0.08 0.00 0.71 0.00 0.00 54.79 56.85 3jx4 n ASP 398 Cb 0.45 -0.27 0.31 0.00 -0.02 0.00 0.00 41.12 41.59 3jx4 n ASP 398 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3jx4 h THR 399 N 0.00 0.96 0.00 -3.53 1.35 -2.00 -0.55 112.91 109.14 3jx4 h THR 399 Ca 0.23 -0.29 -0.15 0.00 -0.55 0.00 0.00 66.41 65.65 3jx4 h THR 399 Cb 0.41 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 3jx4 h THR 399 CO -0.71 0.15 -0.71 -0.33 -0.25 0.00 0.00 175.52 173.67 3jx4 h GLU 400 N 0.85 0.00 -0.13 4.72 5.08 -0.72 -2.05 114.58 122.33 3jx4 h GLU 400 Ca 0.41 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.66 3jx4 h GLU 400 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3jx4 h GLU 400 CO -0.17 0.71 -0.36 1.25 -1.00 0.00 0.00 179.01 179.44 3jx4 h LEU 401 N 0.00 0.53 -0.03 1.33 5.85 -0.12 0.23 115.31 123.11 3jx4 h LEU 401 Ca -0.01 -0.59 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 3jx4 h LEU 401 Cb 1.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3jx4 h LEU 401 CO 0.09 1.03 0.02 0.40 -0.34 0.00 0.00 178.44 179.64 3jx4 h ILE 402 N 0.06 1.07 -0.12 4.05 2.04 -1.11 -0.84 117.51 122.67 3jx4 h ILE 402 Ca -0.01 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3jx4 h ILE 402 Cb 0.98 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3jx4 h ILE 402 CO 0.08 0.06 -0.07 0.22 0.00 0.00 0.00 178.15 178.44 3jx4 h TYR 403 N -0.04 -0.16 -0.61 1.37 3.20 -1.39 -1.36 116.97 117.99 3jx4 h TYR 403 Ca 0.01 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.02 3jx4 h TYR 403 Cb 0.08 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.33 3jx4 h TYR 403 CO -0.05 -0.11 -0.09 0.78 -1.64 0.00 0.00 178.16 177.05 3jx4 h GLY 404 N -0.06 0.52 1.46 1.82 0.00 -0.20 -0.70 103.07 105.91 3jx4 h GLY 404 Ca 0.07 0.16 -0.22 0.00 0.00 0.00 0.00 47.33 47.33 3jx4 h GLY 404 CO -0.16 -0.22 -0.91 0.00 0.00 0.00 0.00 176.54 175.25 3jx4 h ALA 405 N 1.59 0.36 -0.45 3.60 0.00 -0.69 -0.53 119.26 123.14 3jx4 h ALA 405 Ca 0.30 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3jx4 h ALA 405 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3jx4 h ALA 405 CO -0.59 0.77 0.03 0.87 0.00 0.00 0.00 179.25 180.33 3jx4 h LYS 406 N 0.30 0.78 0.00 0.00 1.57 -0.85 -2.42 116.57 115.95 3jx4 h LYS 406 Ca -0.08 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 3jx4 h LYS 406 Cb 1.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 3jx4 h LYS 406 CO 0.16 0.83 -0.47 0.45 -0.57 0.00 0.00 179.45 179.85 3jx4 h HIS 407 N 0.63 0.00 -0.18 -1.35 3.86 -0.92 -1.06 115.15 116.14 3jx4 h HIS 407 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3jx4 h HIS 407 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3jx4 h HIS 407 CO 0.03 0.47 -0.06 0.00 0.86 0.00 0.00 177.93 179.24 3jx4 h ALA 408 N 1.53 1.58 -0.09 2.45 0.00 -0.61 0.30 119.26 124.41 3jx4 h ALA 408 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3jx4 h ALA 408 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3jx4 h ALA 408 CO 0.06 0.31 -0.58 2.35 0.00 0.00 0.00 179.25 181.39 3jx4 h TRP 409 N 0.26 0.77 -0.63 0.00 7.01 -1.16 -2.72 115.95 119.47 3jx4 h TRP 409 Ca 0.06 -0.35 0.12 0.00 2.11 0.00 0.00 58.89 60.82 3jx4 h TRP 409 Cb 0.27 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 3jx4 h TRP 409 CO 0.00 1.14 0.43 -0.09 -2.79 0.00 0.00 178.44 177.13 3jx4 h ARG 410 N 0.17 0.36 -0.01 2.65 2.43 -0.24 -1.57 114.38 118.17 3jx4 h ARG 410 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3jx4 h ARG 410 Cb 1.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3jx4 h ARG 410 CO 0.12 0.24 -0.22 0.09 -1.51 0.00 0.00 179.97 178.69 3jx4 n ASN 411 N -4.46 1.30 -4.56 -3.80 3.02 0.00 -4.83 115.26 101.92 3jx4 n ASN 411 Ca 0.11 -1.12 -0.39 0.00 -0.03 0.00 0.00 54.58 53.15 3jx4 n ASN 411 Cb 0.43 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3jx4 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx4 s ALA 412 N -2.39 2.32 -0.38 5.41 0.00 -0.59 -4.72 121.76 121.42 3jx4 s ALA 412 Ca 0.26 -0.55 0.27 0.00 0.00 0.00 0.00 51.96 51.94 3jx4 s ALA 412 Cb 0.19 -4.25 0.90 0.00 0.00 0.00 0.00 23.12 19.96 3jx4 s ALA 412 CO 0.48 -3.64 1.78 0.66 0.00 0.00 0.00 175.76 175.04 3jx4 h SER 413 N 14.27 0.00 0.14 0.00 4.64 -1.88 -2.57 113.55 128.14 3jx4 h SER 413 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3jx4 h SER 413 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3jx4 h SER 413 CO 1.19 0.00 -0.27 0.54 -0.87 0.00 0.00 176.83 177.42 3jx4 n ARG 414 N -2.66 1.08 -3.50 4.77 1.74 -1.26 -0.44 116.66 116.39 3jx4 n ARG 414 Ca 0.03 -0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 56.01 3jx4 n ARG 414 Cb 0.37 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 3jx4 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx4 h VAL 416 N 5.13 0.00 -0.44 0.00 3.04 -1.90 -3.35 116.25 118.73 3jx4 h VAL 416 Ca -0.36 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3jx4 h VAL 416 Cb 1.17 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 3jx4 h VAL 416 CO 0.67 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.84 3jx4 n GLY 417 N 1.29 2.25 0.00 3.17 0.00 -1.26 -4.40 105.19 106.23 3jx4 n GLY 417 Ca 0.05 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.54 3jx4 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx4 n ARG 418 N 0.61 0.31 0.28 1.61 1.74 -1.26 -2.83 116.66 117.12 3jx4 n ARG 418 Ca 0.19 0.09 0.19 0.00 -0.77 0.00 0.00 57.85 57.54 3jx4 n ARG 418 Cb 0.79 -1.50 1.00 0.00 -1.02 0.00 0.00 32.46 31.73 3jx4 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx4 h ILE 419 N 0.00 0.00 -0.04 0.55 2.10 -1.88 -0.23 117.51 118.01 3jx4 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx4 h ILE 419 Cb 0.19 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 3jx4 h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jx4 n GLN 420 N -2.79 1.76 -0.28 2.19 1.13 -1.13 -4.69 117.38 113.58 3jx4 n GLN 420 Ca -0.02 -1.11 0.06 0.00 -1.94 0.00 0.00 57.00 53.98 3jx4 n GLN 420 Cb 0.06 -1.47 0.28 0.00 0.11 0.00 0.00 30.24 29.22 3jx4 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx4 h TRP 421 N 2.65 0.97 0.00 1.08 5.08 -1.27 -0.68 115.95 123.78 3jx4 h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3jx4 h TRP 421 Cb 0.56 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 3jx4 h TRP 421 CO 0.02 0.48 0.00 0.66 -1.28 0.00 0.00 178.44 178.31 3jx4 h SER 422 N 0.93 0.00 -2.03 0.11 4.64 -1.84 -3.20 113.55 112.16 3jx4 h SER 422 Ca 0.39 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.94 3jx4 h SER 422 Cb 0.31 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.12 3jx4 h SER 422 CO -0.16 0.00 1.05 0.29 -0.87 0.00 0.00 176.83 177.14 3jx4 n LYS 423 N -2.68 3.11 -3.25 4.77 5.02 -0.26 -4.96 118.16 119.91 3jx4 n LYS 423 Ca 0.02 -3.68 -0.38 0.00 -2.02 0.00 0.00 58.31 52.25 3jx4 n LYS 423 Cb 0.32 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 32.98 3jx4 n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jx4 s LEU 424 N -4.11 4.28 -0.18 -0.35 2.96 -1.21 -4.62 118.68 115.45 3jx4 s LEU 424 Ca 0.50 0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 55.08 3jx4 s LEU 424 Cb 0.41 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3jx4 s LEU 424 CO -0.38 -0.03 0.71 -1.58 -1.32 0.00 0.00 176.35 173.76 3jx4 s GLN 425 N 0.68 4.26 -0.20 1.98 2.00 -0.83 -4.99 119.66 122.57 3jx4 s GLN 425 Ca 0.28 0.79 -0.05 0.00 -2.00 0.00 0.00 55.36 54.39 3jx4 s GLN 425 Cb -0.16 -3.57 -0.02 0.00 0.80 0.00 0.00 33.01 30.06 3jx4 s GLN 425 CO 0.12 -0.25 -0.00 0.08 -0.50 0.00 0.00 175.29 174.73 3jx4 s VAL 426 N 1.93 3.94 -0.22 1.34 1.01 -1.26 -1.24 120.40 125.89 3jx4 s VAL 426 Ca 0.33 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3jx4 s VAL 426 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3jx4 s VAL 426 CO 0.12 0.43 -0.04 -0.36 0.00 0.00 0.00 175.10 175.25 3jx4 s PHE 427 N 0.96 2.96 -0.39 5.22 0.08 -0.35 -4.98 117.98 121.48 3jx4 s PHE 427 Ca 0.01 -0.92 -0.23 0.00 0.12 0.00 0.00 56.93 55.91 3jx4 s PHE 427 Cb -0.14 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3jx4 s PHE 427 CO 0.02 -0.54 0.78 0.34 -0.10 0.00 0.00 175.22 175.72 3jx4 s ASP 428 N 1.48 6.50 -0.17 1.36 3.68 -1.26 -1.08 116.67 127.18 3jx4 s ASP 428 Ca 0.06 0.20 0.16 0.00 2.13 0.00 0.00 52.55 55.09 3jx4 s ASP 428 Cb -0.14 -2.39 0.37 0.00 -1.45 0.00 0.00 42.92 39.30 3jx4 s ASP 428 CO -0.03 -0.79 1.22 0.00 0.13 0.00 0.00 175.17 175.69 3jx4 n ALA 429 N 6.52 2.91 0.31 3.66 0.00 -0.47 -4.71 120.51 128.73 3jx4 n ALA 429 Ca 0.03 -2.85 0.14 0.00 0.00 0.00 0.00 53.44 50.76 3jx4 n ALA 429 Cb 0.48 -0.43 0.63 0.00 0.00 0.00 0.00 19.45 20.14 3jx4 n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jx4 h ARG 430 N 0.54 0.00 -0.38 0.00 3.08 -1.78 -1.26 114.38 114.58 3jx4 h ARG 430 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3jx4 h ARG 430 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3jx4 h ARG 430 CO 0.05 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.55 3jx4 n ASP 431 N -2.49 1.94 -4.77 7.04 3.85 -1.26 -4.55 116.55 116.31 3jx4 n ASP 431 Ca 0.00 -2.04 -0.38 0.00 -0.71 0.00 0.00 54.79 51.67 3jx4 n ASP 431 Cb 0.18 -0.26 -0.05 0.00 -1.35 0.00 0.00 41.12 39.64 3jx4 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jx4 n THR 433 N 0.50 0.00 -4.19 0.00 -2.24 -1.26 -4.77 114.28 102.32 3jx4 n THR 433 Ca 0.02 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 3jx4 n THR 433 Cb 0.48 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3jx4 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx4 s THR 434 N -0.85 0.23 0.24 4.28 -4.23 -1.26 -4.66 115.64 109.39 3jx4 s THR 434 Ca 0.00 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3jx4 s THR 434 Cb 0.00 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3jx4 s THR 434 CO 0.00 -0.37 1.62 0.00 -0.54 0.00 0.00 174.62 175.33 3jx4 h ALA 435 N 2.77 0.92 -0.33 3.99 0.00 -1.91 -1.10 119.26 123.60 3jx4 h ALA 435 Ca -0.36 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3jx4 h ALA 435 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3jx4 h ALA 435 CO 0.59 0.64 0.16 0.45 0.00 0.00 0.00 179.25 181.09 3jx4 h HIS 436 N 0.36 0.47 -0.65 0.00 -0.00 -1.97 0.65 115.15 114.00 3jx4 h HIS 436 Ca 0.03 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.46 3jx4 h HIS 436 Cb 0.90 -0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 28.10 3jx4 h HIS 436 CO 0.03 0.40 0.30 0.78 -0.00 0.00 0.00 177.93 179.44 3jx4 h GLY 437 N 0.40 0.94 0.84 2.45 0.00 -1.90 -1.28 103.07 104.52 3jx4 h GLY 437 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3jx4 h GLY 437 CO -0.02 0.05 0.16 -0.33 0.00 0.00 0.00 176.54 176.40 3jx4 h MET 438 N 0.54 0.32 -0.59 4.80 2.86 -0.77 -1.88 114.93 120.21 3jx4 h MET 438 Ca 0.31 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.02 3jx4 h MET 438 Cb 0.32 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 3jx4 h MET 438 CO -0.26 0.21 0.21 0.35 1.06 0.00 0.00 176.91 178.49 3jx4 h PHE 439 N 0.33 0.37 0.25 -0.22 3.04 -0.33 0.29 116.94 120.67 3jx4 h PHE 439 Ca 0.14 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3jx4 h PHE 439 Cb 0.05 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.49 3jx4 h PHE 439 CO -0.10 0.10 -0.12 -0.97 -2.02 0.00 0.00 178.31 175.20 3jx4 h ASN 440 N 0.40 -0.29 -0.80 0.41 -1.24 -0.83 -0.68 115.58 112.55 3jx4 h ASN 440 Ca 0.29 -0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.46 3jx4 h ASN 440 Cb 0.35 0.07 -0.10 0.00 0.73 0.00 0.00 38.32 39.37 3jx4 h ASN 440 CO -0.30 -0.19 0.32 1.88 -1.29 0.00 0.00 177.43 177.85 3jx4 h TYR 441 N -0.36 0.53 -0.50 0.67 -1.99 -0.96 -1.39 116.97 112.97 3jx4 h TYR 441 Ca -0.03 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 3jx4 h TYR 441 Cb 0.28 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 3jx4 h TYR 441 CO -0.05 0.03 0.07 0.82 -0.00 0.00 0.00 178.16 179.03 3jx4 h ILE 442 N 0.42 1.25 -0.28 -2.88 2.04 -0.01 -1.40 117.51 116.65 3jx4 h ILE 442 Ca 0.45 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 65.28 3jx4 h ILE 442 Cb 0.74 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3jx4 h ILE 442 CO -0.45 0.34 -0.19 0.00 0.00 0.00 0.00 178.15 177.85 3jx4 h ASN 444 N 0.47 0.00 0.25 0.00 2.35 -0.97 -2.60 115.58 115.07 3jx4 h ASN 444 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3jx4 h ASN 444 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3jx4 h ASN 444 CO 0.04 0.48 -0.12 -0.74 -1.65 0.00 0.00 177.43 175.44 3jx4 h HIS 445 N 0.00 -0.31 -0.94 1.19 2.76 -0.28 -2.14 115.15 115.43 3jx4 h HIS 445 Ca -0.00 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.32 3jx4 h HIS 445 Cb 0.95 0.10 -0.10 0.00 1.55 0.00 0.00 27.41 29.92 3jx4 h HIS 445 CO 0.00 0.05 0.54 0.28 -1.30 0.00 0.00 177.93 177.50 3jx4 h VAL 446 N -0.76 0.75 0.01 5.26 2.07 -0.66 -0.97 116.25 121.95 3jx4 h VAL 446 Ca -0.03 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3jx4 h VAL 446 Cb 0.50 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3jx4 h VAL 446 CO 0.06 0.14 -0.39 0.50 0.02 0.00 0.00 177.57 177.89 3jx4 h LYS 447 N 0.75 0.25 -0.48 1.57 3.64 -1.47 -1.78 116.57 119.06 3jx4 h LYS 447 Ca 0.52 -0.28 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 3jx4 h LYS 447 Cb 0.72 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 3jx4 h LYS 447 CO -0.35 1.00 0.06 -0.92 -2.27 0.00 0.00 179.45 176.97 3jx4 h TYR 448 N -0.38 0.09 0.00 1.91 3.20 -1.24 -2.06 116.97 118.49 3jx4 h TYR 448 Ca -0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3jx4 h TYR 448 Cb 1.15 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3jx4 h TYR 448 CO 0.17 -0.04 -0.34 0.00 -1.64 0.00 0.00 178.16 176.31 3jx4 h ALA 449 N 1.39 0.86 0.03 1.82 0.00 -1.21 -3.28 119.26 118.88 3jx4 h ALA 449 Ca 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3jx4 h ALA 449 Cb 0.33 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3jx4 h ALA 449 CO -0.34 0.42 -0.20 1.15 0.00 0.00 0.00 179.25 180.28 3jx4 h THR 450 N 0.00 1.72 -5.99 0.00 2.02 -1.24 -0.86 112.91 108.57 3jx4 h THR 450 Ca -0.00 -2.37 -0.41 0.00 0.77 0.00 0.00 66.41 64.41 3jx4 h THR 450 Cb 1.07 3.32 0.08 0.00 -1.74 0.00 0.00 68.15 70.87 3jx4 h THR 450 CO 0.04 0.63 -0.78 -3.20 0.37 0.00 0.00 175.52 172.58 3jx4 n ASN 451 N -4.50 -2.92 -2.06 4.18 5.15 -0.78 -0.92 115.26 113.40 3jx4 n ASN 451 Ca -0.11 -0.72 -0.16 0.00 -0.60 0.00 0.00 54.58 52.99 3jx4 n ASN 451 Cb 0.56 -4.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.35 3jx4 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx4 n LYS 452 N -4.44 -1.77 0.00 1.20 5.02 -1.26 -1.72 118.16 115.19 3jx4 n LYS 452 Ca -0.18 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3jx4 n LYS 452 Cb 0.63 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 3jx4 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx4 n GLY 453 N -0.67 2.80 2.92 0.72 0.00 -0.10 -4.93 105.19 105.94 3jx4 n GLY 453 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3jx4 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx4 n ASN 454 N 0.00 5.35 -4.75 1.61 4.05 -0.70 -1.43 115.26 119.39 3jx4 n ASN 454 Ca 0.00 -3.16 -0.40 0.00 0.45 0.00 0.00 54.58 51.47 3jx4 n ASN 454 Cb 0.00 -1.44 0.03 0.00 1.23 0.00 0.00 39.78 39.59 3jx4 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jx4 n LEU 455 N 3.45 5.14 -4.21 1.20 4.77 -1.22 -4.65 117.00 121.48 3jx4 n LEU 455 Ca 0.37 1.08 -0.28 0.00 -0.03 0.00 0.00 56.01 57.15 3jx4 n LEU 455 Cb 0.36 -1.59 -0.16 0.00 -2.33 0.00 0.00 43.42 39.71 3jx4 n LEU 455 CO 0.79 -0.33 -0.53 -0.13 -1.33 0.00 0.00 177.39 175.86 3jx4 s ARG 456 N -2.56 1.82 0.23 3.23 0.52 -0.33 -5.00 118.95 116.86 3jx4 s ARG 456 Ca 0.64 -0.74 -0.32 0.00 -0.52 0.00 0.00 55.73 54.80 3jx4 s ARG 456 Cb -0.44 -1.68 -0.12 0.00 0.52 0.00 0.00 34.95 33.22 3jx4 s ARG 456 CO 0.55 0.40 1.65 0.43 0.02 0.00 0.00 175.30 178.34 3jx4 n SER 457 N 2.73 3.74 -3.69 0.23 7.64 -1.26 -4.51 113.62 118.51 3jx4 n SER 457 Ca -0.16 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.69 3jx4 n SER 457 Cb 0.53 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.12 3jx4 n SER 457 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jx4 s ALA 458 N 0.72 -0.88 0.00 -0.43 0.00 -0.92 -1.96 121.76 118.30 3jx4 s ALA 458 Ca 0.72 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3jx4 s ALA 458 Cb -0.54 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3jx4 s ALA 458 CO 0.39 -0.47 0.01 -1.50 0.00 0.00 0.00 175.76 174.18 3jx4 s ILE 459 N -2.74 0.05 -0.09 0.00 2.07 -0.37 -1.66 121.20 118.46 3jx4 s ILE 459 Ca -0.04 -0.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 3jx4 s ILE 459 Cb -0.00 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.42 3jx4 s ILE 459 CO -0.04 -0.25 -0.22 -0.89 -1.91 0.00 0.00 174.94 171.63 3jx4 s THR 460 N -0.74 1.87 -0.36 4.00 2.01 -0.17 -1.21 115.64 121.04 3jx4 s THR 460 Ca -0.08 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 3jx4 s THR 460 Cb -0.05 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.90 3jx4 s THR 460 CO -0.00 0.52 0.12 -0.63 -0.69 0.00 0.00 174.62 173.94 3jx4 s ILE 461 N 0.42 3.38 1.06 1.82 1.01 -0.24 -3.06 121.20 125.58 3jx4 s ILE 461 Ca -0.18 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 58.72 3jx4 s ILE 461 Cb -0.17 -3.09 0.22 0.00 0.01 0.00 0.00 42.46 39.43 3jx4 s ILE 461 CO 0.08 -0.38 1.16 -0.36 0.00 0.00 0.00 174.94 175.44 3jx4 s PHE 462 N 1.26 1.40 0.66 3.97 0.08 -0.89 -1.36 117.98 123.09 3jx4 s PHE 462 Ca 0.01 0.59 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 3jx4 s PHE 462 Cb -0.21 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 3jx4 s PHE 462 CO -0.01 -3.14 1.15 -2.14 -0.10 0.00 0.00 175.22 170.98 3jx4 s PRO 463 N -5.43 2.68 0.71 0.24 0.02 -1.26 -4.63 135.00 127.32 3jx4 s PRO 463 Ca 0.69 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 3jx4 s PRO 463 Cb -0.11 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3jx4 s PRO 463 CO 0.55 -1.38 1.06 1.14 -0.33 0.00 0.00 177.00 178.04 3jx4 s GLN 464 N -3.85 2.84 0.58 5.54 -2.07 -1.26 -4.57 119.66 116.86 3jx4 s GLN 464 Ca 0.71 0.89 -0.20 0.00 -1.82 0.00 0.00 55.36 54.94 3jx4 s GLN 464 Cb -0.25 -1.98 -0.04 0.00 -1.09 0.00 0.00 33.01 29.65 3jx4 s GLN 464 CO 0.40 -1.15 1.20 -2.13 -1.32 0.00 0.00 175.29 172.29 3jx4 n ARG 465 N -3.16 1.27 0.00 9.60 0.63 0.13 -4.92 116.66 120.22 3jx4 n ARG 465 Ca 0.07 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3jx4 n ARG 465 Cb 0.54 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.05 3jx4 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx4 n THR 466 N -1.45 0.00 1.14 5.15 -2.24 -1.26 -4.81 114.28 110.81 3jx4 n THR 466 Ca 0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3jx4 n THR 466 Cb 0.46 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.04 3jx4 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx4 n ASP 467 N 0.00 0.69 0.00 3.42 5.68 -1.26 -4.95 116.55 120.13 3jx4 n ASP 467 Ca 0.00 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 3jx4 n ASP 467 Cb 0.00 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3jx4 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx4 n GLY 468 N 1.41 3.22 0.02 6.12 0.00 -1.26 -4.84 105.19 109.86 3jx4 n GLY 468 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3jx4 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx4 n LYS 469 N -1.63 0.57 -1.08 1.61 5.02 -1.26 -4.29 118.16 117.10 3jx4 n LYS 469 Ca 0.00 -0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3jx4 n LYS 469 Cb 0.00 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.65 3jx4 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx4 n HIS 470 N -1.19 0.36 -2.54 2.13 8.25 -1.26 -4.12 115.22 116.85 3jx4 n HIS 470 Ca 0.16 -1.36 -0.40 0.00 -0.26 0.00 0.00 57.72 55.86 3jx4 n HIS 470 Cb 0.22 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 3jx4 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx4 s ASP 471 N -3.00 7.34 0.13 0.41 1.01 -1.26 -3.70 116.67 117.61 3jx4 s ASP 471 Ca 0.38 2.17 -0.23 0.00 0.71 0.00 0.00 52.55 55.58 3jx4 s ASP 471 Cb 0.38 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 3jx4 s ASP 471 CO -0.08 -0.10 0.70 -0.36 0.21 0.00 0.00 175.17 175.53 3jx4 s PHE 472 N -0.94 3.87 -0.22 4.23 0.40 -1.26 -1.98 117.98 122.07 3jx4 s PHE 472 Ca 0.45 1.50 -0.17 0.00 -0.60 0.00 0.00 56.93 58.11 3jx4 s PHE 472 Cb -0.30 -2.66 0.06 0.00 0.51 0.00 0.00 43.02 40.63 3jx4 s PHE 472 CO 0.38 0.54 0.57 1.03 0.70 0.00 0.00 175.22 178.45 3jx4 s ARG 473 N -1.14 0.62 -0.39 0.44 1.81 -0.65 -3.30 118.95 116.34 3jx4 s ARG 473 Ca 0.33 0.92 -0.17 0.00 -1.72 0.00 0.00 55.73 55.09 3jx4 s ARG 473 Cb -0.22 0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.49 3jx4 s ARG 473 CO 0.23 -0.12 0.46 0.08 -0.68 0.00 0.00 175.30 175.27 3jx4 s VAL 474 N 0.92 5.06 0.15 3.52 1.01 -1.26 -0.80 120.40 129.01 3jx4 s VAL 474 Ca -0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 3jx4 s VAL 474 Cb -0.05 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3jx4 s VAL 474 CO -0.08 -0.33 1.55 -0.50 0.00 0.00 0.00 175.10 175.74 3jx4 h TRP 475 N 8.64 1.06 -1.53 5.22 4.06 -1.72 -3.41 115.95 128.27 3jx4 h TRP 475 Ca -0.27 -0.24 -0.65 0.00 2.06 0.00 0.00 58.89 59.79 3jx4 h TRP 475 Cb 1.12 -0.25 0.11 0.00 -1.00 0.00 0.00 29.16 29.13 3jx4 h TRP 475 CO 0.67 1.03 -0.26 0.09 -3.56 0.00 0.00 178.44 176.41 3jx4 n ASN 476 N -4.20 -0.25 0.11 -3.49 4.13 -1.26 -4.90 115.26 105.41 3jx4 n ASN 476 Ca 0.00 1.15 -0.02 0.00 1.68 0.00 0.00 54.58 57.39 3jx4 n ASN 476 Cb 0.41 -1.07 0.03 0.00 -1.54 0.00 0.00 39.78 37.61 3jx4 n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3jx4 h SER 477 N 1.50 0.00 -4.71 6.41 4.64 -1.89 -3.34 113.55 116.15 3jx4 h SER 477 Ca -0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.76 3jx4 h SER 477 Cb 1.40 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.33 3jx4 h SER 477 CO 0.59 0.72 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.47 3jx4 s GLN 478 N -3.05 0.73 0.21 4.77 -0.21 -1.26 -1.32 119.66 119.52 3jx4 s GLN 478 Ca 0.01 -1.17 -0.08 0.00 0.02 0.00 0.00 55.36 54.15 3jx4 s GLN 478 Cb 0.10 -0.18 0.14 0.00 1.00 0.00 0.00 33.01 34.07 3jx4 s GLN 478 CO 0.77 -0.01 1.74 -0.07 -2.12 0.00 0.00 175.29 175.60 3jx4 h LEU 479 N 3.40 1.09 -7.92 2.90 3.38 -1.67 -3.39 115.31 113.11 3jx4 h LEU 479 Ca -0.35 -0.21 -0.67 0.00 0.09 0.00 0.00 57.88 56.74 3jx4 h LEU 479 Cb 1.17 -0.29 -0.36 0.00 0.09 0.00 0.00 40.66 41.27 3jx4 h LEU 479 CO 0.58 1.01 -0.80 -0.63 0.09 0.00 0.00 178.44 178.70 3jx4 s ILE 480 N -5.40 2.23 0.08 1.22 1.01 -1.26 -4.86 121.20 114.22 3jx4 s ILE 480 Ca -0.12 -1.51 -0.06 0.00 0.00 0.00 0.00 60.65 58.96 3jx4 s ILE 480 Cb 0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 3jx4 s ILE 480 CO 0.85 0.05 0.11 -0.13 0.00 0.00 0.00 174.94 175.82 3jx4 s ARG 481 N 1.14 0.77 0.05 2.79 0.52 -1.26 -4.88 118.95 118.07 3jx4 s ARG 481 Ca -0.07 -1.05 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 3jx4 s ARG 481 Cb -0.19 0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.52 3jx4 s ARG 481 CO -0.06 -0.22 0.43 0.71 0.02 0.00 0.00 175.30 176.19 3jx4 s TYR 482 N -3.88 3.67 0.75 -0.53 4.12 -1.26 -0.49 117.35 119.72 3jx4 s TYR 482 Ca 0.06 0.95 -0.13 0.00 0.02 0.00 0.00 57.07 57.97 3jx4 s TYR 482 Cb 0.06 -2.27 0.05 0.00 -1.52 0.00 0.00 41.96 38.28 3jx4 s TYR 482 CO -0.10 0.57 1.15 0.00 0.02 0.00 0.00 175.55 177.19 3jx4 s ALA 483 N -1.23 2.14 -0.08 3.71 0.00 0.10 -4.37 121.76 122.02 3jx4 s ALA 483 Ca 0.29 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3jx4 s ALA 483 Cb -0.16 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3jx4 s ALA 483 CO 0.16 -1.83 -0.11 0.20 0.00 0.00 0.00 175.76 174.18 3jx4 s GLY 484 N -2.53 0.82 -0.06 0.00 0.00 -1.23 -0.50 107.32 103.80 3jx4 s GLY 484 Ca 0.69 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 44.99 3jx4 s GLY 484 CO 0.48 0.30 -0.22 -0.19 0.00 0.00 0.00 173.10 173.48 3jx4 s TYR 485 N 0.95 2.18 -0.12 1.90 1.51 -0.85 -4.24 117.35 118.67 3jx4 s TYR 485 Ca -0.09 -0.71 -0.22 0.00 -1.01 0.00 0.00 57.07 55.03 3jx4 s TYR 485 Cb -0.15 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 3jx4 s TYR 485 CO 0.00 -0.25 0.68 0.15 -1.11 0.00 0.00 175.55 175.02 3jx4 s LYS 486 N 0.06 4.34 0.31 -0.62 1.02 -1.26 -1.96 119.74 121.63 3jx4 s LYS 486 Ca -0.08 0.78 0.09 0.00 0.02 0.00 0.00 55.97 56.78 3jx4 s LYS 486 Cb -0.14 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 3jx4 s LYS 486 CO 0.04 -0.07 0.10 -0.65 -0.92 0.00 0.00 175.35 173.85 3jx4 s GLN 487 N 1.31 2.38 0.30 1.68 -0.21 -1.01 -5.00 119.66 119.10 3jx4 s GLN 487 Ca 0.34 -1.48 0.04 0.00 0.02 0.00 0.00 55.36 54.27 3jx4 s GLN 487 Cb -0.17 -2.19 0.77 0.00 1.00 0.00 0.00 33.01 32.42 3jx4 s GLN 487 CO 0.14 0.21 1.64 -1.35 -2.12 0.00 0.00 175.29 173.81 3jx4 h PRO 488 N 1.65 0.20 0.06 2.91 0.11 -1.98 -1.74 132.00 133.21 3jx4 h PRO 488 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3jx4 h PRO 488 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3jx4 h PRO 488 CO 0.62 0.13 -0.15 0.22 -0.21 0.00 0.00 178.00 178.61 3jx4 h ASP 489 N 0.20 -0.42 0.00 -2.05 1.82 -2.03 -3.46 116.42 110.48 3jx4 h ASP 489 Ca 0.58 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 3jx4 h ASP 489 Cb 1.20 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.38 3jx4 h ASP 489 CO -0.67 -0.22 0.00 0.61 -1.61 0.00 0.00 179.24 177.35 3jx4 n GLY 490 N -1.28 0.60 3.95 -0.78 0.00 -0.66 -5.13 105.19 101.89 3jx4 n GLY 490 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3jx4 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx4 s SER 491 N -0.41 4.11 -0.08 1.61 1.04 -1.26 -4.87 113.70 113.84 3jx4 s SER 491 Ca 0.00 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.64 3jx4 s SER 491 Cb 0.00 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 3jx4 s SER 491 CO 0.00 -2.06 -0.19 -0.89 0.98 0.00 0.00 173.24 171.08 3jx4 s THR 492 N -3.44 2.58 -0.24 2.02 2.01 -1.26 -2.42 115.64 114.89 3jx4 s THR 492 Ca 0.67 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 3jx4 s THR 492 Cb -0.07 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 3jx4 s THR 492 CO 0.47 0.56 0.11 -0.22 -0.69 0.00 0.00 174.62 174.86 3jx4 s LEU 493 N -0.09 3.79 0.00 4.42 2.96 -0.83 -4.97 118.68 123.96 3jx4 s LEU 493 Ca -0.04 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3jx4 s LEU 493 Cb -0.14 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3jx4 s LEU 493 CO 0.04 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 3jx4 n GLY 494 N 4.53 0.83 3.42 7.98 0.00 -1.26 -2.00 105.19 118.70 3jx4 n GLY 494 Ca -0.15 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 3jx4 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx4 s ASP 495 N -4.00 6.18 0.59 1.61 -1.08 0.34 -4.71 116.67 115.60 3jx4 s ASP 495 Ca 0.00 -1.09 0.28 0.00 -0.52 0.00 0.00 52.55 51.22 3jx4 s ASP 495 Cb 0.00 -2.23 1.67 0.00 -1.46 0.00 0.00 42.92 40.89 3jx4 s ASP 495 CO 0.00 -0.75 2.13 -0.65 0.52 0.00 0.00 175.17 176.42 3jx4 h PRO 496 N 8.86 0.00 0.00 4.34 0.11 -1.80 -2.13 132.00 141.38 3jx4 h PRO 496 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3jx4 h PRO 496 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jx4 h PRO 496 CO 0.91 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3jx4 h ALA 497 N 1.81 1.01 -0.20 -0.75 0.00 -1.93 -3.15 119.26 116.05 3jx4 h ALA 497 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jx4 h ALA 497 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3jx4 h ALA 497 CO -0.00 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.33 3jx4 n ASN 498 N -3.10 3.33 -0.17 0.00 3.02 -0.80 -4.74 115.26 112.80 3jx4 n ASN 498 Ca -0.02 -3.13 -0.10 0.00 -0.03 0.00 0.00 54.58 51.31 3jx4 n ASN 498 Cb 0.14 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3jx4 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx4 h VAL 499 N 1.26 1.26 -0.38 2.41 2.07 -1.67 0.15 116.25 121.35 3jx4 h VAL 499 Ca 0.02 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3jx4 h VAL 499 Cb 1.35 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3jx4 h VAL 499 CO 0.18 0.35 -0.06 -0.61 0.02 0.00 0.00 177.57 177.45 3jx4 h GLN 500 N 0.67 0.71 -0.40 1.57 4.15 -1.86 -1.46 115.11 118.49 3jx4 h GLN 500 Ca 0.14 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 3jx4 h GLN 500 Cb 0.46 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3jx4 h GLN 500 CO 0.02 0.84 -0.27 0.35 -1.93 0.00 0.00 178.83 177.84 3jx4 h PHE 501 N 0.52 1.04 -0.30 3.99 3.57 -1.87 -2.06 116.94 121.82 3jx4 h PHE 501 Ca 0.10 -0.28 0.02 0.00 3.53 0.00 0.00 57.97 61.34 3jx4 h PHE 501 Cb 0.56 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3jx4 h PHE 501 CO 0.05 1.08 0.20 1.15 -2.23 0.00 0.00 178.31 178.56 3jx4 h THR 502 N 0.70 1.02 -0.16 4.41 2.02 -0.50 -0.70 112.91 119.70 3jx4 h THR 502 Ca 0.08 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 3jx4 h THR 502 Cb 0.84 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3jx4 h THR 502 CO 0.07 0.06 -0.63 -0.33 0.37 0.00 0.00 175.52 175.06 3jx4 h GLU 503 N 0.32 0.57 0.00 6.66 5.08 -0.84 -2.40 114.58 123.97 3jx4 h GLU 503 Ca 0.12 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3jx4 h GLU 503 Cb 0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3jx4 h GLU 503 CO -0.03 1.02 0.00 0.82 -1.00 0.00 0.00 179.01 179.82 3jx4 h ILE 504 N 0.42 0.00 0.14 3.13 2.04 -0.48 -0.65 117.51 122.11 3jx4 h ILE 504 Ca -0.01 -0.23 -0.32 0.00 1.00 0.00 0.00 64.86 65.30 3jx4 h ILE 504 Cb 1.20 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3jx4 h ILE 504 CO 0.12 0.00 -1.60 0.00 0.00 0.00 0.00 178.15 176.67 3jx4 h ILE 506 N 0.08 0.11 0.00 0.00 2.04 -0.99 0.22 117.51 118.98 3jx4 h ILE 506 Ca -0.27 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3jx4 h ILE 506 Cb 2.05 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 3jx4 h ILE 506 CO 0.17 0.05 -1.10 1.67 0.00 0.00 0.00 178.15 178.94 3jx4 n GLN 507 N -3.14 0.27 0.11 2.37 7.27 -0.31 -3.54 117.38 120.42 3jx4 n GLN 507 Ca 0.02 -0.02 0.07 0.00 0.07 0.00 0.00 57.00 57.13 3jx4 n GLN 507 Cb 0.41 -1.57 0.01 0.00 2.41 0.00 0.00 30.24 31.50 3jx4 n GLN 507 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3jx4 h GLN 508 N 0.00 0.00 0.00 3.69 1.08 -1.37 -3.48 115.11 115.03 3jx4 h GLN 508 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3jx4 h GLN 508 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3jx4 h GLN 508 CO 0.00 0.17 0.00 0.41 -0.95 0.00 0.00 178.83 178.46 3jx4 n GLY 509 N 1.23 0.47 3.75 3.46 0.00 -0.63 -4.98 105.19 108.49 3jx4 n GLY 509 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3jx4 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx4 s TRP 510 N -1.01 2.92 -0.70 1.61 -0.00 0.69 -4.96 118.94 117.49 3jx4 s TRP 510 Ca 0.00 1.03 -0.23 0.00 -0.00 0.00 0.00 56.10 56.90 3jx4 s TRP 510 Cb 0.00 -3.88 0.07 0.00 -0.00 0.00 0.00 33.47 29.65 3jx4 s TRP 510 CO 0.00 -2.82 1.04 0.15 -0.00 0.00 0.00 176.95 175.33 3jx4 s LYS 511 N -0.75 3.16 -0.10 5.86 1.02 -1.26 -4.54 119.74 123.13 3jx4 s LYS 511 Ca 0.58 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 3jx4 s LYS 511 Cb -0.43 -4.29 -0.02 0.00 -0.52 0.00 0.00 37.83 32.57 3jx4 s LYS 511 CO 0.48 -1.89 1.10 0.00 -0.92 0.00 0.00 175.35 174.12 3jx4 s ALA 512 N 4.32 3.47 0.10 5.17 0.00 -1.26 -4.91 121.76 128.66 3jx4 s ALA 512 Ca 0.26 0.46 0.34 0.00 0.00 0.00 0.00 51.96 53.02 3jx4 s ALA 512 Cb -0.14 -3.49 1.48 0.00 0.00 0.00 0.00 23.12 20.98 3jx4 s ALA 512 CO 0.09 -0.73 2.00 -1.35 0.00 0.00 0.00 175.76 175.78 3jx4 h PRO 513 N 7.32 0.00 -4.76 0.00 0.11 -1.99 -3.47 132.00 129.21 3jx4 h PRO 513 Ca -0.31 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.49 3jx4 h PRO 513 Cb 1.14 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.36 3jx4 h PRO 513 CO 0.88 0.00 -0.53 0.54 -0.21 0.00 0.00 178.00 178.68 3jx4 n ARG 514 N -2.94 -6.20 -0.48 1.05 1.74 -1.26 -5.03 116.66 103.54 3jx4 n ARG 514 Ca 0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 3jx4 n ARG 514 Cb 0.25 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 3jx4 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx4 n GLY 515 N -1.68 3.24 0.10 -0.13 0.00 -1.26 -5.06 105.19 100.39 3jx4 n GLY 515 Ca 0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 3jx4 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx4 h ARG 516 N 0.00 0.19 -1.55 1.61 2.43 -1.94 -3.40 114.38 111.73 3jx4 h ARG 516 Ca 0.00 -0.33 -0.52 0.00 -0.81 0.00 0.00 59.98 58.31 3jx4 h ARG 516 Cb 0.00 0.12 -0.41 0.00 -0.42 0.00 0.00 29.97 29.26 3jx4 h ARG 516 CO 0.00 1.07 -0.87 1.19 -1.51 0.00 0.00 179.97 179.85 3jx4 n PHE 517 N -3.42 2.70 -2.72 2.20 3.01 -1.26 -4.31 117.46 113.66 3jx4 n PHE 517 Ca -0.12 -3.24 -0.43 0.00 1.01 0.00 0.00 57.45 54.68 3jx4 n PHE 517 Cb 1.02 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 40.21 3jx4 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx4 s ASP 518 N -3.34 6.47 -0.13 4.37 1.01 -1.26 -4.92 116.67 118.88 3jx4 s ASP 518 Ca 0.42 0.07 -0.33 0.00 0.71 0.00 0.00 52.55 53.42 3jx4 s ASP 518 Cb 0.39 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.72 3jx4 s ASP 518 CO -0.12 -1.24 1.97 0.52 0.21 0.00 0.00 175.17 176.51 3jx4 n VAL 519 N 6.52 0.53 -1.58 -1.27 0.31 -1.26 -0.72 118.33 120.85 3jx4 n VAL 519 Ca 0.07 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.89 3jx4 n VAL 519 Cb 0.48 -1.98 0.07 0.00 -0.91 0.00 0.00 33.84 31.51 3jx4 n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3jx4 s LEU 520 N 5.03 3.34 0.60 7.52 1.43 0.35 -4.89 118.68 132.06 3jx4 s LEU 520 Ca 0.95 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 56.09 3jx4 s LEU 520 Cb -0.64 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 40.96 3jx4 s LEU 520 CO 0.49 -1.95 1.02 -2.16 0.23 0.00 0.00 176.35 173.98 3jx4 s PRO 521 N -4.03 3.59 0.21 1.29 0.04 -1.26 -4.75 135.00 130.09 3jx4 s PRO 521 Ca 0.70 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 3jx4 s PRO 521 Cb -0.24 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3jx4 s PRO 521 CO 0.44 -0.57 0.76 -0.51 0.04 0.00 0.00 177.00 177.15 3jx4 s LEU 522 N -4.88 4.43 -0.28 -3.56 1.43 -0.02 -4.88 118.68 110.93 3jx4 s LEU 522 Ca 0.57 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 3jx4 s LEU 522 Cb -0.11 -3.51 0.08 0.00 0.03 0.00 0.00 46.19 42.67 3jx4 s LEU 522 CO 0.47 0.09 -0.00 -0.22 0.23 0.00 0.00 176.35 176.92 3jx4 s LEU 523 N -1.67 3.10 -0.10 1.79 0.20 -1.26 -1.25 118.68 119.49 3jx4 s LEU 523 Ca 0.41 -1.52 -0.00 0.00 0.69 0.00 0.00 54.13 53.70 3jx4 s LEU 523 Cb -0.19 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.29 3jx4 s LEU 523 CO 0.23 -0.30 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.16 3jx4 s LEU 524 N 1.30 3.16 -0.24 -0.68 1.43 -0.61 -2.03 118.68 121.01 3jx4 s LEU 524 Ca 0.01 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3jx4 s LEU 524 Cb -0.19 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3jx4 s LEU 524 CO -0.10 0.30 -0.12 -1.58 0.23 0.00 0.00 176.35 175.07 3jx4 s GLN 525 N -0.41 2.55 -0.14 1.70 0.74 0.02 -0.83 119.66 123.29 3jx4 s GLN 525 Ca 0.06 -1.15 -0.05 0.00 0.05 0.00 0.00 55.36 54.28 3jx4 s GLN 525 Cb -0.12 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 3jx4 s GLN 525 CO 0.02 -0.45 0.02 0.00 -0.55 0.00 0.00 175.29 174.34 3jx4 s ALA 526 N 1.19 3.30 -1.63 1.58 0.00 -1.26 -1.64 121.76 123.30 3jx4 s ALA 526 Ca -0.04 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 3jx4 s ALA 526 Cb -0.18 -1.70 0.12 0.00 0.00 0.00 0.00 23.12 21.37 3jx4 s ALA 526 CO -0.07 0.34 0.75 -1.71 0.00 0.00 0.00 175.76 175.06 3jx4 n ASN 527 N 3.03 -2.97 0.00 0.00 2.85 -1.24 -0.14 115.26 116.79 3jx4 n ASN 527 Ca -0.18 -0.98 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 3jx4 n ASN 527 Cb 0.53 -2.95 0.00 0.00 1.24 0.00 0.00 39.78 38.60 3jx4 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jx4 n GLY 528 N -1.55 0.37 3.88 8.20 0.00 -0.84 -4.62 105.19 110.64 3jx4 n GLY 528 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3jx4 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx4 s ASN 529 N -2.07 6.36 0.10 1.61 0.01 0.80 -4.93 114.94 116.84 3jx4 s ASN 529 Ca 0.00 1.21 -0.18 0.00 -0.71 0.00 0.00 52.86 53.18 3jx4 s ASN 529 Cb 0.00 -2.37 -0.11 0.00 0.41 0.00 0.00 41.25 39.19 3jx4 s ASN 529 CO 0.00 -0.63 0.37 0.47 -1.51 0.00 0.00 177.10 175.81 3jx4 n ASP 530 N -2.09 -0.64 -4.83 -1.22 10.43 -1.26 -4.46 116.55 112.48 3jx4 n ASP 530 Ca 0.03 0.69 -0.31 0.00 2.57 0.00 0.00 54.79 57.78 3jx4 n ASP 530 Cb 0.54 -0.58 0.04 0.00 1.84 0.00 0.00 41.12 42.97 3jx4 n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jx4 s PRO 531 N -0.51 3.00 -0.01 -0.24 0.04 -1.26 -4.70 135.00 131.32 3jx4 s PRO 531 Ca 0.42 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3jx4 s PRO 531 Cb -0.60 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 3jx4 s PRO 531 CO 0.34 -1.03 -0.08 -1.21 0.04 0.00 0.00 177.00 175.07 3jx4 s GLU 532 N -5.09 0.73 0.32 4.56 2.02 -0.01 -4.86 118.70 116.38 3jx4 s GLU 532 Ca 0.58 -0.27 -0.27 0.00 0.02 0.00 0.00 54.97 55.03 3jx4 s GLU 532 Cb -0.13 -0.71 -0.09 0.00 0.10 0.00 0.00 34.13 33.30 3jx4 s GLU 532 CO 0.55 0.13 1.03 -0.51 0.02 0.00 0.00 175.26 176.48 3jx4 s LEU 533 N 0.03 4.38 -0.18 1.80 1.43 -1.26 -1.57 118.68 123.31 3jx4 s LEU 533 Ca -0.00 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 3jx4 s LEU 533 Cb -0.06 -3.89 0.07 0.00 0.03 0.00 0.00 46.19 42.34 3jx4 s LEU 533 CO -0.00 -0.21 0.44 -0.36 0.23 0.00 0.00 176.35 176.44 3jx4 s PHE 534 N -1.42 -0.68 -0.01 0.29 0.40 -0.38 -4.97 117.98 111.21 3jx4 s PHE 534 Ca 0.50 1.40 -0.30 0.00 -0.60 0.00 0.00 56.93 57.93 3jx4 s PHE 534 Cb -0.25 0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.55 3jx4 s PHE 534 CO 0.32 -0.38 0.99 -1.14 0.70 0.00 0.00 175.22 175.70 3jx4 s GLN 535 N 1.63 4.55 0.13 0.44 2.00 -1.26 -0.84 119.66 126.30 3jx4 s GLN 535 Ca -0.08 1.42 -0.31 0.00 -2.00 0.00 0.00 55.36 54.39 3jx4 s GLN 535 Cb -0.09 -3.47 -0.09 0.00 0.80 0.00 0.00 33.01 30.17 3jx4 s GLN 535 CO -0.13 -0.08 1.53 0.42 -0.50 0.00 0.00 175.29 176.53 3jx4 s ILE 536 N 1.10 2.92 -0.12 -2.34 1.01 -1.26 -4.89 121.20 117.61 3jx4 s ILE 536 Ca 0.52 0.61 -0.39 0.00 0.00 0.00 0.00 60.65 61.38 3jx4 s ILE 536 Cb -0.21 -3.39 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 3jx4 s ILE 536 CO 0.27 0.04 1.51 -2.65 0.00 0.00 0.00 174.94 174.11 3jx4 n PRO 537 N 4.32 0.97 -0.04 2.79 -0.02 -1.26 -4.76 135.00 137.00 3jx4 n PRO 537 Ca 0.14 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.16 3jx4 n PRO 537 Cb 0.40 -1.99 0.65 0.00 -0.02 0.00 0.00 33.50 32.54 3jx4 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx4 h PRO 538 N 5.62 0.09 0.00 0.52 0.11 -1.96 0.10 132.00 136.49 3jx4 h PRO 538 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jx4 h PRO 538 Cb 1.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3jx4 h PRO 538 CO 0.86 0.06 0.00 1.05 -0.21 0.00 0.00 178.00 179.76 3jx4 h GLU 539 N 0.09 0.00 0.00 1.05 9.09 -2.03 -2.82 114.58 119.96 3jx4 h GLU 539 Ca 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.66 3jx4 h GLU 539 Cb 0.97 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.07 3jx4 h GLU 539 CO -0.03 0.00 -1.39 1.28 0.05 0.00 0.00 179.01 178.92 3jx4 n LEU 540 N -2.34 0.57 -4.49 3.06 4.77 0.35 -4.71 117.00 114.22 3jx4 n LEU 540 Ca 0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.79 3jx4 n LEU 540 Cb 0.17 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3jx4 n LEU 540 CO 0.17 -0.07 1.18 -0.69 -1.33 0.00 0.00 177.39 176.65 3jx4 s VAL 541 N -3.33 4.43 0.05 4.08 1.01 -1.07 -4.82 120.40 120.75 3jx4 s VAL 541 Ca -0.03 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 3jx4 s VAL 541 Cb 0.11 -4.89 -0.07 0.00 0.00 0.00 0.00 36.38 31.52 3jx4 s VAL 541 CO 0.83 -1.68 1.54 -0.22 0.00 0.00 0.00 175.10 175.57 3jx4 s LEU 542 N 3.54 4.35 0.04 3.92 2.96 -1.26 -4.99 118.68 127.23 3jx4 s LEU 542 Ca 0.38 2.34 0.04 0.00 -0.22 0.00 0.00 54.13 56.67 3jx4 s LEU 542 Cb -0.03 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3jx4 s LEU 542 CO -0.09 -0.81 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.40 3jx4 s GLU 543 N 2.39 0.79 -0.16 1.98 2.02 -1.26 -0.64 118.70 123.82 3jx4 s GLU 543 Ca 0.69 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 3jx4 s GLU 543 Cb -0.37 -0.75 -0.01 0.00 0.10 0.00 0.00 34.13 33.10 3jx4 s GLU 543 CO 0.30 0.18 -0.11 0.08 0.02 0.00 0.00 175.26 175.73 3jx4 s VAL 544 N -0.92 3.09 0.26 2.63 1.01 0.12 -4.92 120.40 121.68 3jx4 s VAL 544 Ca -0.01 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3jx4 s VAL 544 Cb -0.08 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 3jx4 s VAL 544 CO 0.01 0.50 1.16 -2.84 0.00 0.00 0.00 175.10 173.93 3jx4 s PRO 545 N 0.70 4.56 -0.42 2.72 0.02 -1.26 -1.36 135.00 139.95 3jx4 s PRO 545 Ca -0.05 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 62.69 3jx4 s PRO 545 Cb -0.15 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.21 3jx4 s PRO 545 CO 0.02 0.07 0.39 0.42 -0.33 0.00 0.00 177.00 177.57 3jx4 s ILE 546 N -0.87 5.15 0.38 2.83 -1.09 0.33 -4.87 121.20 123.05 3jx4 s ILE 546 Ca 0.47 -0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 3jx4 s ILE 546 Cb -0.33 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 3jx4 s ILE 546 CO 0.42 -0.38 -0.02 0.00 -1.23 0.00 0.00 174.94 173.73 3jx4 s ARG 547 N 1.98 1.92 -0.01 2.79 3.03 -1.26 -4.26 118.95 123.14 3jx4 s ARG 547 Ca 0.10 -2.01 0.04 0.00 2.03 0.00 0.00 55.73 55.89 3jx4 s ARG 547 Cb -0.18 -1.70 -0.03 0.00 -1.03 0.00 0.00 34.95 32.02 3jx4 s ARG 547 CO 0.12 0.03 -0.13 -1.58 -1.13 0.00 0.00 175.30 172.61 3jx4 s HIS 548 N -2.66 2.71 0.29 5.89 2.46 -1.26 -4.41 115.29 118.32 3jx4 s HIS 548 Ca 0.34 -0.15 0.10 0.00 0.47 0.00 0.00 55.06 55.82 3jx4 s HIS 548 Cb 0.06 -1.58 0.41 0.00 -0.13 0.00 0.00 32.58 31.34 3jx4 s HIS 548 CO 0.18 0.26 1.65 -1.00 -2.47 0.00 0.00 174.74 173.35 3jx4 h PRO 549 N 4.88 0.03 0.00 2.88 0.13 -1.92 -3.34 132.00 134.66 3jx4 h PRO 549 Ca -0.47 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 3jx4 h PRO 549 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3jx4 h PRO 549 CO 0.50 0.59 -1.75 1.63 -0.23 0.00 0.00 178.00 178.74 3jx4 n LYS 550 N -3.87 2.08 -3.00 0.86 5.02 -1.26 -4.92 118.16 113.07 3jx4 n LYS 550 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3jx4 n LYS 550 Cb 0.58 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 3jx4 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx4 s PHE 551 N -2.27 2.90 0.14 2.13 2.99 -1.25 -4.93 117.98 117.69 3jx4 s PHE 551 Ca -0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 56.93 56.28 3jx4 s PHE 551 Cb 0.03 -3.90 0.01 0.00 0.00 0.00 0.00 43.02 39.16 3jx4 s PHE 551 CO 0.44 -1.28 1.65 0.22 -0.00 0.00 0.00 175.22 176.25 3jx4 h ASP 552 N 9.22 0.67 -0.63 1.36 3.58 -1.91 -3.00 116.42 125.71 3jx4 h ASP 552 Ca -0.28 -0.22 0.18 0.00 0.42 0.00 0.00 57.03 57.13 3jx4 h ASP 552 Cb 1.08 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 3jx4 h ASP 552 CO 1.06 0.72 0.49 4.11 -2.88 0.00 0.00 179.24 182.74 3jx4 h TRP 553 N 0.59 0.00 -0.99 0.28 5.08 -1.96 -3.21 115.95 115.74 3jx4 h TRP 553 Ca 0.14 0.00 0.37 0.00 1.08 0.00 0.00 58.89 60.48 3jx4 h TRP 553 Cb 0.30 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.29 3jx4 h TRP 553 CO 0.02 0.00 0.45 0.35 -1.28 0.00 0.00 178.44 177.98 3jx4 h PHE 554 N 0.00 0.69 -0.13 0.12 3.57 -1.91 -2.16 116.94 117.11 3jx4 h PHE 554 Ca 0.30 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.88 3jx4 h PHE 554 Cb 1.28 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3jx4 h PHE 554 CO 0.00 -0.40 0.10 1.57 -2.23 0.00 0.00 178.31 177.35 3jx4 h LYS 555 N 0.07 0.00 -0.00 1.11 2.10 -1.73 -2.64 116.57 115.48 3jx4 h LYS 555 Ca 0.78 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.43 3jx4 h LYS 555 Cb 1.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.26 3jx4 h LYS 555 CO -0.76 0.00 -0.04 -0.25 -2.00 0.00 0.00 179.45 176.40 3jx4 n ASP 556 N -4.40 0.12 0.25 7.07 8.00 -0.81 -2.01 116.55 124.78 3jx4 n ASP 556 Ca 0.00 -0.17 0.10 0.00 0.71 0.00 0.00 54.79 55.43 3jx4 n ASP 556 Cb 0.22 -0.24 0.66 0.00 -0.02 0.00 0.00 41.12 41.74 3jx4 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx4 h LEU 557 N 0.13 0.00 0.03 0.64 3.38 -1.64 -3.47 115.31 114.37 3jx4 h LEU 557 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx4 h LEU 557 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3jx4 h LEU 557 CO 0.00 0.12 -0.01 0.61 0.09 0.00 0.00 178.44 179.26 3jx4 n GLY 558 N -0.95 0.37 3.75 0.83 0.00 -0.85 -5.02 105.19 103.32 3jx4 n GLY 558 Ca -0.02 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 3jx4 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx4 s LEU 559 N -0.06 4.50 0.07 0.99 1.43 -1.26 -4.97 118.68 119.37 3jx4 s LEU 559 Ca 0.00 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 3jx4 s LEU 559 Cb 0.00 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 3jx4 s LEU 559 CO 0.00 0.04 -0.07 -1.59 0.23 0.00 0.00 176.35 174.96 3jx4 s LYS 560 N -0.32 0.65 0.08 1.70 -2.85 -1.26 0.12 119.74 117.86 3jx4 s LYS 560 Ca 0.40 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 3jx4 s LYS 560 Cb -0.22 -0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 35.29 3jx4 s LYS 560 CO 0.26 0.01 -0.10 -0.46 0.10 0.00 0.00 175.35 175.16 3jx4 s TRP 561 N -2.41 0.98 0.52 1.78 -0.11 -0.47 -4.94 118.94 114.29 3jx4 s TRP 561 Ca -0.00 -0.62 -0.18 0.00 1.22 0.00 0.00 56.10 56.52 3jx4 s TRP 561 Cb -0.03 -0.55 -0.07 0.00 -1.50 0.00 0.00 33.47 31.32 3jx4 s TRP 561 CO -0.02 -0.03 1.02 1.52 -4.62 0.00 0.00 176.95 174.82 3jx4 s TYR 562 N -2.18 3.18 -0.40 5.86 -0.85 -1.26 0.12 117.35 121.82 3jx4 s TYR 562 Ca 0.02 1.53 0.24 0.00 -0.52 0.00 0.00 57.07 58.33 3jx4 s TYR 562 Cb -0.05 -2.93 0.42 0.00 0.38 0.00 0.00 41.96 39.78 3jx4 s TYR 562 CO -0.00 -0.68 1.64 0.78 -1.52 0.00 0.00 175.55 175.77 3jx4 h GLY 563 N 1.04 0.00 -7.84 5.49 0.00 -1.23 -3.46 103.07 97.07 3jx4 h GLY 563 Ca -0.48 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.19 3jx4 h GLY 563 CO 0.60 0.00 -0.80 -2.27 0.00 0.00 0.00 176.54 174.07 3jx4 s LEU 564 N -6.21 3.37 -0.17 3.11 2.96 -1.26 -4.58 118.68 115.90 3jx4 s LEU 564 Ca 0.07 -1.39 -0.19 0.00 -0.22 0.00 0.00 54.13 52.40 3jx4 s LEU 564 Cb 0.05 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 3jx4 s LEU 564 CO 0.66 -0.20 0.51 -2.16 -1.32 0.00 0.00 176.35 173.84 3jx4 s PRO 565 N 1.13 4.25 -0.31 0.98 0.04 -1.26 -4.70 135.00 135.13 3jx4 s PRO 565 Ca -0.08 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.42 3jx4 s PRO 565 Cb -0.20 -3.52 0.16 0.00 0.04 0.00 0.00 34.50 30.98 3jx4 s PRO 565 CO -0.05 -0.04 0.40 0.00 0.04 0.00 0.00 177.00 177.35 3jx4 s ALA 566 N 1.28 -1.07 -0.04 8.56 0.00 -1.26 -2.69 121.76 126.54 3jx4 s ALA 566 Ca 0.25 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 3jx4 s ALA 566 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 3jx4 s ALA 566 CO 0.10 -1.83 0.89 0.08 0.00 0.00 0.00 175.76 175.01 3jx4 s VAL 567 N 2.34 4.91 0.00 0.00 1.01 0.32 -1.80 120.40 127.17 3jx4 s VAL 567 Ca 0.11 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.95 3jx4 s VAL 567 Cb -0.13 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3jx4 s VAL 567 CO -0.26 0.16 0.62 -1.54 0.00 0.00 0.00 175.10 174.08 3jx4 n SER 568 N 4.08 0.85 -0.76 3.32 3.41 -0.43 -1.55 113.62 122.54 3jx4 n SER 568 Ca 0.04 -1.37 0.07 0.00 -0.26 0.00 0.00 58.87 57.35 3jx4 n SER 568 Cb 0.51 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.64 3jx4 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx4 n ASN 569 N -0.18 3.11 -4.95 4.04 0.23 -1.22 -4.41 115.26 111.87 3jx4 n ASN 569 Ca 0.00 -2.01 -0.23 0.00 -0.53 0.00 0.00 54.58 51.81 3jx4 n ASN 569 Cb 0.32 -0.28 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3jx4 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3jx4 s MET 570 N -1.02 2.82 -0.13 -3.83 -1.94 -1.26 -4.48 119.30 109.45 3jx4 s MET 570 Ca 0.28 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 3jx4 s MET 570 Cb 0.14 -2.47 -0.00 0.00 2.01 0.00 0.00 34.83 34.51 3jx4 s MET 570 CO 0.19 -0.53 -0.17 -1.17 -0.01 0.00 0.00 175.02 173.32 3jx4 s LEU 571 N -4.72 2.44 -0.28 -0.03 0.20 -0.47 -4.28 118.68 111.54 3jx4 s LEU 571 Ca 0.53 -0.45 -0.12 0.00 0.69 0.00 0.00 54.13 54.78 3jx4 s LEU 571 Cb -0.10 -1.54 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 3jx4 s LEU 571 CO 0.39 0.12 0.21 -0.22 -0.29 0.00 0.00 176.35 176.57 3jx4 s LEU 572 N 0.58 4.03 -0.25 -0.68 2.96 -0.04 -1.13 118.68 124.15 3jx4 s LEU 572 Ca -0.10 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3jx4 s LEU 572 Cb -0.16 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3jx4 s LEU 572 CO 0.03 -0.06 0.04 -0.70 -1.32 0.00 0.00 176.35 174.35 3jx4 s GLU 573 N 1.75 3.53 -0.13 1.98 2.12 -0.43 -0.71 118.70 126.81 3jx4 s GLU 573 Ca 0.08 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.88 3jx4 s GLU 573 Cb -0.16 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.00 3jx4 s GLU 573 CO 0.10 -0.22 -0.16 0.42 -0.54 0.00 0.00 175.26 174.87 3jx4 s ILE 574 N 1.57 1.62 -1.51 -3.70 1.01 -0.34 -2.20 121.20 117.64 3jx4 s ILE 574 Ca 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3jx4 s ILE 574 Cb -0.15 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.85 3jx4 s ILE 574 CO 0.02 0.47 0.17 0.61 0.00 0.00 0.00 174.94 176.20 3jx4 n GLY 575 N 4.34 -0.17 3.08 6.18 0.00 -1.26 -0.35 105.19 117.00 3jx4 n GLY 575 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3jx4 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx4 n GLY 576 N -2.33 2.51 3.82 -0.02 0.00 -1.26 -3.51 105.19 104.40 3jx4 n GLY 576 Ca -0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3jx4 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx4 s LEU 577 N 0.00 4.49 -0.22 0.99 1.43 0.52 -5.00 118.68 120.90 3jx4 s LEU 577 Ca 0.00 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3jx4 s LEU 577 Cb 0.00 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3jx4 s LEU 577 CO 0.00 0.29 -0.09 -1.61 0.23 0.00 0.00 176.35 175.17 3jx4 s GLU 578 N -1.15 3.12 -0.46 1.70 2.02 -1.26 -1.20 118.70 121.46 3jx4 s GLU 578 Ca 0.27 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.40 3jx4 s GLU 578 Cb -0.18 -2.89 0.12 0.00 0.10 0.00 0.00 34.13 31.28 3jx4 s GLU 578 CO 0.17 -0.26 0.33 -0.06 0.02 0.00 0.00 175.26 175.45 3jx4 s PHE 579 N 1.39 3.44 -0.79 1.61 0.40 0.11 0.17 117.98 124.32 3jx4 s PHE 579 Ca 0.04 -1.93 0.26 0.00 -0.60 0.00 0.00 56.93 54.70 3jx4 s PHE 579 Cb -0.15 -3.45 0.69 0.00 0.51 0.00 0.00 43.02 40.62 3jx4 s PHE 579 CO -0.06 -0.99 1.60 -1.13 0.70 0.00 0.00 175.22 175.34 3jx4 n SER 580 N 4.87 0.59 -4.05 1.36 3.41 -1.26 -0.86 113.62 117.68 3jx4 n SER 580 Ca -0.07 0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.52 3jx4 n SER 580 Cb 0.41 -0.27 -0.16 0.00 -0.26 0.00 0.00 64.21 63.93 3jx4 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx4 s ALA 581 N -3.09 2.24 -0.40 7.33 0.00 -1.21 -4.66 121.76 121.97 3jx4 s ALA 581 Ca 0.10 -1.35 0.10 0.00 0.00 0.00 0.00 51.96 50.81 3jx4 s ALA 581 Cb 0.15 -1.32 0.37 0.00 0.00 0.00 0.00 23.12 22.32 3jx4 s ALA 581 CO 0.64 -0.76 1.15 0.00 0.00 0.00 0.00 175.76 176.78 3jx4 n PRO 583 N -0.11 2.65 -4.13 0.00 -0.04 -1.17 -4.55 135.00 127.65 3jx4 n PRO 583 Ca 0.05 0.93 -0.11 0.00 -0.04 0.00 0.00 63.50 64.33 3jx4 n PRO 583 Cb 0.77 -2.66 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 3jx4 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx4 s PHE 584 N -1.05 0.81 0.02 0.54 -0.12 -0.59 -1.00 117.98 116.59 3jx4 s PHE 584 Ca 0.54 -0.80 -0.14 0.00 -0.05 0.00 0.00 56.93 56.48 3jx4 s PHE 584 Cb -0.48 -0.48 0.02 0.00 -0.63 0.00 0.00 43.02 41.45 3jx4 s PHE 584 CO 0.63 -0.14 0.31 -1.54 -0.05 0.00 0.00 175.22 174.42 3jx4 s SER 585 N -2.61 -0.15 0.00 1.98 1.04 -0.66 0.12 113.70 113.41 3jx4 s SER 585 Ca 0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3jx4 s SER 585 Cb 0.01 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3jx4 s SER 585 CO -0.04 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3jx4 n GLY 586 N 0.87 4.17 3.36 7.32 0.00 -1.09 -2.17 105.19 117.65 3jx4 n GLY 586 Ca -0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3jx4 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx4 s TRP 587 N 2.93 0.15 0.35 1.61 -2.14 -1.26 -4.47 118.94 116.10 3jx4 s TRP 587 Ca 0.00 -0.51 -0.23 0.00 2.66 0.00 0.00 56.10 58.02 3jx4 s TRP 587 Cb 0.00 0.09 -0.10 0.00 -3.10 0.00 0.00 33.47 30.36 3jx4 s TRP 587 CO 0.00 -0.73 0.91 0.71 -2.66 0.00 0.00 176.95 175.17 3jx4 s TYR 588 N -3.90 3.53 0.06 1.66 1.51 -1.26 -4.92 117.35 114.03 3jx4 s TYR 588 Ca 0.11 1.64 -0.19 0.00 -1.01 0.00 0.00 57.07 57.62 3jx4 s TYR 588 Cb 0.02 -2.84 -0.07 0.00 -0.11 0.00 0.00 41.96 38.97 3jx4 s TYR 588 CO -0.04 0.10 0.56 1.41 -1.11 0.00 0.00 175.55 176.48 3jx4 s MET 589 N -2.50 4.20 0.20 -0.62 -2.45 -1.26 -1.20 119.30 115.66 3jx4 s MET 589 Ca 0.54 0.72 -0.11 0.00 -1.25 0.00 0.00 55.69 55.59 3jx4 s MET 589 Cb -0.14 -3.25 0.22 0.00 1.25 0.00 0.00 34.83 32.91 3jx4 s MET 589 CO 0.19 0.62 1.74 0.78 1.05 0.00 0.00 175.02 179.41 3jx4 h GLY 590 N 4.64 0.74 1.58 2.11 0.00 -0.58 -2.29 103.07 109.28 3jx4 h GLY 590 Ca -0.49 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 46.78 3jx4 h GLY 590 CO 0.64 -0.01 0.16 -0.91 0.00 0.00 0.00 176.54 176.42 3jx4 h THR 591 N 0.37 0.54 -0.84 4.70 1.35 -1.94 -1.53 112.91 115.57 3jx4 h THR 591 Ca 0.27 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.17 3jx4 h THR 591 Cb 0.32 0.87 -0.05 0.00 -1.73 0.00 0.00 68.15 67.56 3jx4 h THR 591 CO -0.28 0.00 0.55 -0.33 -0.25 0.00 0.00 175.52 175.21 3jx4 h GLU 592 N 0.00 0.99 0.00 4.72 5.08 -1.81 0.46 114.58 124.01 3jx4 h GLU 592 Ca 0.08 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 3jx4 h GLU 592 Cb 0.40 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3jx4 h GLU 592 CO -0.00 0.65 -1.49 -0.89 -1.00 0.00 0.00 179.01 176.28 3jx4 n ILE 593 N -4.46 1.53 0.11 3.13 5.41 -0.90 -2.29 119.36 121.90 3jx4 n ILE 593 Ca 0.11 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 3jx4 n ILE 593 Cb 0.13 -2.02 -0.08 0.00 -0.71 0.00 0.00 39.64 36.97 3jx4 n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3jx4 h GLY 594 N -1.00 -0.23 0.02 7.39 0.00 -1.28 -1.79 103.07 106.19 3jx4 h GLY 594 Ca -0.41 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3jx4 h GLY 594 CO -0.25 -0.08 -0.47 -2.08 0.00 0.00 0.00 176.54 173.66 3jx4 h VAL 595 N -0.30 1.48 0.00 4.60 2.07 -1.14 -3.33 116.25 119.62 3jx4 h VAL 595 Ca -0.02 -2.30 -0.07 0.00 0.82 0.00 0.00 66.70 65.14 3jx4 h VAL 595 Cb 0.23 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 3jx4 h VAL 595 CO 0.04 0.51 -0.52 0.03 0.02 0.00 0.00 177.57 177.65 3jx4 h ARG 596 N -0.98 0.00 -0.52 1.57 2.47 -1.50 -2.71 114.38 112.73 3jx4 h ARG 596 Ca -0.13 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 3jx4 h ARG 596 Cb 1.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 3jx4 h ARG 596 CO -0.07 0.47 0.04 -0.91 0.56 0.00 0.00 179.97 180.07 3jx4 h ASN 597 N -1.00 0.86 0.34 7.04 2.35 -1.37 -2.77 115.58 121.03 3jx4 h ASN 597 Ca -0.10 -0.29 -0.33 0.00 -0.55 0.00 0.00 56.30 55.04 3jx4 h ASN 597 Cb 0.72 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3jx4 h ASN 597 CO -0.06 0.93 -1.67 1.88 -1.65 0.00 0.00 177.43 176.86 3jx4 h TYR 598 N 0.76 0.51 0.00 1.19 0.99 -1.49 -1.98 116.97 116.95 3jx4 h TYR 598 Ca 0.15 -0.37 -0.31 0.00 2.00 0.00 0.00 58.73 60.20 3jx4 h TYR 598 Cb 0.47 -0.02 -0.06 0.00 1.00 0.00 0.00 36.73 38.12 3jx4 h TYR 598 CO 0.03 1.50 -2.20 0.00 -0.00 0.00 0.00 178.16 177.49 3jx4 n ASP 600 N -2.64 1.09 -0.32 0.00 9.92 -1.04 -4.43 116.55 119.13 3jx4 n ASP 600 Ca -0.28 1.13 0.20 0.00 -0.53 0.00 0.00 54.79 55.31 3jx4 n ASP 600 Cb 1.05 -1.06 0.41 0.00 -0.64 0.00 0.00 41.12 40.88 3jx4 n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jx4 h ASN 601 N 4.31 0.32 -0.44 -2.24 -0.73 -1.92 -0.69 115.58 114.19 3jx4 h ASN 601 Ca -0.48 0.19 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3jx4 h ASN 601 Cb 1.37 0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.15 3jx4 h ASN 601 CO 0.77 -0.14 0.00 -1.54 -0.37 0.00 0.00 177.43 176.14 3jx4 n SER 602 N -5.12 3.01 0.00 1.15 3.41 -1.26 -4.60 113.62 110.21 3jx4 n SER 602 Ca 0.28 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3jx4 n SER 602 Cb 0.87 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3jx4 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx4 n ARG 603 N 0.71 0.00 0.20 4.33 5.12 -0.27 -4.25 116.66 122.50 3jx4 n ARG 603 Ca 0.16 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.18 3jx4 n ARG 603 Cb 0.55 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 32.07 3jx4 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx4 h TYR 604 N 0.00 0.00 -6.82 -1.55 -1.99 -1.49 -3.41 116.97 101.71 3jx4 h TYR 604 Ca 0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 3jx4 h TYR 604 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3jx4 h TYR 604 CO 0.00 0.20 -1.02 -1.71 -0.00 0.00 0.00 178.16 175.63 3jx4 n ASN 605 N -3.18 -4.46 -0.99 3.88 4.05 0.14 -4.87 115.26 109.82 3jx4 n ASN 605 Ca 0.02 -1.18 0.11 0.00 0.45 0.00 0.00 54.58 53.98 3jx4 n ASN 605 Cb 0.56 -1.84 0.16 0.00 1.23 0.00 0.00 39.78 39.89 3jx4 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx4 n ILE 606 N -4.35 0.37 -0.13 -1.44 -5.35 -0.50 -4.47 119.36 103.49 3jx4 n ILE 606 Ca -0.16 -0.68 -0.05 0.00 -0.27 0.00 0.00 62.75 61.58 3jx4 n ILE 606 Cb 0.60 1.10 0.03 0.00 -1.74 0.00 0.00 39.64 39.62 3jx4 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx4 h LEU 607 N 4.06 0.18 -0.42 7.28 3.38 -1.86 -1.47 115.31 126.47 3jx4 h LEU 607 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3jx4 h LEU 607 Cb 0.91 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3jx4 h LEU 607 CO 0.00 0.14 0.19 -0.33 0.09 0.00 0.00 178.44 178.53 3jx4 h GLU 608 N 0.33 0.37 -0.78 1.13 5.08 -1.98 -1.94 114.58 116.78 3jx4 h GLU 608 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3jx4 h GLU 608 Cb 0.16 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3jx4 h GLU 608 CO -0.18 0.25 0.51 0.93 -1.00 0.00 0.00 179.01 179.52 3jx4 h GLU 609 N 0.38 0.99 -0.28 2.33 3.07 -1.70 -2.42 114.58 116.96 3jx4 h GLU 609 Ca 0.18 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3jx4 h GLU 609 Cb 0.12 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3jx4 h GLU 609 CO -0.15 0.66 -0.15 0.28 -1.40 0.00 0.00 179.01 178.25 3jx4 h VAL 610 N 1.02 1.30 0.00 3.13 2.07 -1.02 -2.54 116.25 120.21 3jx4 h VAL 610 Ca 0.30 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 3jx4 h VAL 610 Cb -0.06 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3jx4 h VAL 610 CO -0.08 0.40 -0.32 0.00 0.02 0.00 0.00 177.57 177.59 3jx4 h ALA 611 N 0.74 1.40 -0.10 1.67 0.00 -1.26 -1.59 119.26 120.11 3jx4 h ALA 611 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3jx4 h ALA 611 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3jx4 h ALA 611 CO 0.04 0.39 -0.49 0.87 0.00 0.00 0.00 179.25 180.06 3jx4 h LYS 612 N 0.00 0.27 0.00 0.00 1.57 -1.27 -2.95 116.57 114.18 3jx4 h LYS 612 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3jx4 h LYS 612 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3jx4 h LYS 612 CO 0.04 0.71 0.00 0.87 -0.57 0.00 0.00 179.45 180.50 3jx4 h LYS 613 N 0.21 0.00 -0.01 3.15 1.79 -0.88 -3.14 116.57 117.69 3jx4 h LYS 613 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3jx4 h LYS 613 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3jx4 h LYS 613 CO 0.08 0.00 -0.35 -1.33 -1.08 0.00 0.00 179.45 176.77 3jx4 n MET 614 N -2.69 0.67 -3.48 3.15 2.81 -0.84 -4.97 117.12 111.78 3jx4 n MET 614 Ca 0.05 -0.42 -0.18 0.00 -1.81 0.00 0.00 57.70 55.33 3jx4 n MET 614 Cb 0.47 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.57 3jx4 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx4 n ASP 615 N -0.79 -2.34 -4.96 7.83 2.03 -1.13 -5.01 116.55 112.18 3jx4 n ASP 615 Ca 0.10 -0.64 -0.22 0.00 0.52 0.00 0.00 54.79 54.55 3jx4 n ASP 615 Cb 0.36 -4.99 -0.02 0.00 -0.72 0.00 0.00 41.12 35.74 3jx4 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx4 s LEU 616 N -6.49 4.32 -0.55 -2.67 1.43 -1.13 -5.05 118.68 108.53 3jx4 s LEU 616 Ca 0.06 0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.96 3jx4 s LEU 616 Cb -0.03 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3jx4 s LEU 616 CO 0.74 -0.04 1.23 -0.62 0.23 0.00 0.00 176.35 177.89 3jx4 s ASP 617 N -3.80 6.43 -0.03 2.29 3.68 -1.26 -4.85 116.67 119.13 3jx4 s ASP 617 Ca 0.34 0.23 0.21 0.00 2.13 0.00 0.00 52.55 55.46 3jx4 s ASP 617 Cb -0.09 -2.55 0.67 0.00 -1.45 0.00 0.00 42.92 39.49 3jx4 s ASP 617 CO 0.29 -1.48 1.56 0.23 0.13 0.00 0.00 175.17 175.91 3jx4 n MET 618 N 8.36 3.03 -0.09 4.34 2.81 -1.26 -4.43 117.12 129.88 3jx4 n MET 618 Ca 0.10 -2.73 -0.13 0.00 -1.81 0.00 0.00 57.70 53.13 3jx4 n MET 618 Cb 0.49 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.29 3jx4 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx4 h ARG 619 N 4.21 0.64 -6.07 0.03 3.08 -2.04 -3.45 114.38 110.78 3jx4 h ARG 619 Ca 0.00 -0.32 -0.56 0.00 0.07 0.00 0.00 59.98 59.17 3jx4 h ARG 619 Cb 1.12 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.94 3jx4 h ARG 619 CO 0.07 0.92 -0.83 0.15 -1.07 0.00 0.00 179.97 179.21 3jx4 s LYS 620 N -4.41 1.21 0.51 0.04 1.02 -1.26 -5.03 119.74 111.82 3jx4 s LYS 620 Ca -0.13 -1.05 0.24 0.00 0.02 0.00 0.00 55.97 55.05 3jx4 s LYS 620 Cb 0.08 -1.40 1.36 0.00 -0.52 0.00 0.00 37.83 37.35 3jx4 s LYS 620 CO 0.81 0.34 2.07 1.79 -0.92 0.00 0.00 175.35 179.44 3jx4 h THR 621 N 4.22 0.73 -0.00 2.17 1.35 -1.92 -3.14 112.91 116.31 3jx4 h THR 621 Ca -0.44 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3jx4 h THR 621 Cb 1.17 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3jx4 h THR 621 CO 0.41 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 174.27 3jx4 n SER 622 N -3.86 0.17 0.00 5.36 3.41 -1.26 -2.18 113.62 115.27 3jx4 n SER 622 Ca -0.02 -1.06 0.10 0.00 -0.26 0.00 0.00 58.87 57.62 3jx4 n SER 622 Cb 0.22 -0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.62 3jx4 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx4 n SER 623 N -0.86 0.00 -3.58 4.04 3.41 -1.19 -4.91 113.62 110.53 3jx4 n SER 623 Ca 0.23 0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 58.99 3jx4 n SER 623 Cb 0.14 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3jx4 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx4 n LEU 624 N -1.46 -2.50 0.16 1.04 4.77 -0.92 -4.90 117.00 113.18 3jx4 n LEU 624 Ca 0.06 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3jx4 n LEU 624 Cb 0.22 -2.62 0.27 0.00 -2.33 0.00 0.00 43.42 38.96 3jx4 n LEU 624 CO 0.18 0.39 0.63 4.11 -1.33 0.00 0.00 177.39 181.37 3jx4 h TRP 625 N -1.82 0.04 -0.52 -1.77 5.08 -1.84 -0.48 115.95 114.64 3jx4 h TRP 625 Ca -0.54 -0.01 -0.11 0.00 1.08 0.00 0.00 58.89 59.31 3jx4 h TRP 625 Cb 1.36 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.49 3jx4 h TRP 625 CO 0.57 0.49 -0.11 0.87 -1.28 0.00 0.00 178.44 178.98 3jx4 h LYS 626 N 0.03 0.98 -0.50 0.12 1.57 -1.90 -0.43 116.57 116.44 3jx4 h LYS 626 Ca -0.00 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 3jx4 h LYS 626 Cb 0.83 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3jx4 h LYS 626 CO 0.06 1.03 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.42 3jx4 h ASP 627 N 0.87 0.97 -0.01 0.86 5.19 -1.78 0.78 116.42 123.29 3jx4 h ASP 627 Ca 0.14 -0.36 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 3jx4 h ASP 627 Cb 0.67 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 3jx4 h ASP 627 CO 0.05 1.10 0.00 1.56 -3.12 0.00 0.00 179.24 178.83 3jx4 h GLN 628 N 0.82 0.01 -0.75 3.56 4.20 -0.90 -2.52 115.11 119.52 3jx4 h GLN 628 Ca 0.13 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3jx4 h GLN 628 Cb 0.67 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3jx4 h GLN 628 CO 0.05 0.24 0.48 0.00 -0.67 0.00 0.00 178.83 178.93 3jx4 h ALA 629 N 0.77 0.98 -0.80 3.87 0.00 -1.05 -2.89 119.26 120.14 3jx4 h ALA 629 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3jx4 h ALA 629 Cb 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3jx4 h ALA 629 CO 0.00 0.30 0.51 1.25 0.00 0.00 0.00 179.25 181.31 3jx4 h LEU 630 N 0.95 0.83 -0.43 0.00 5.85 -0.58 -0.23 115.31 121.71 3jx4 h LEU 630 Ca 0.29 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3jx4 h LEU 630 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3jx4 h LEU 630 CO -0.10 0.57 0.24 0.58 -0.34 0.00 0.00 178.44 179.39 3jx4 h VAL 631 N 0.98 1.15 -0.25 1.05 2.07 -1.26 -2.42 116.25 117.57 3jx4 h VAL 631 Ca 0.32 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3jx4 h VAL 631 Cb 0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3jx4 h VAL 631 CO -0.12 0.16 0.07 -0.33 0.02 0.00 0.00 177.57 177.37 3jx4 h GLU 632 N 0.56 0.40 -0.90 1.57 4.39 -1.13 0.27 114.58 119.74 3jx4 h GLU 632 Ca 0.15 -0.09 0.18 0.00 0.34 0.00 0.00 59.36 59.94 3jx4 h GLU 632 Cb 0.04 -0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.53 3jx4 h GLU 632 CO -0.03 0.48 0.46 0.82 -1.16 0.00 0.00 179.01 179.59 3jx4 h ILE 633 N 0.24 0.64 0.00 3.13 2.04 -1.02 -0.09 117.51 122.44 3jx4 h ILE 633 Ca 0.08 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3jx4 h ILE 633 Cb 0.26 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3jx4 h ILE 633 CO -0.00 0.11 -0.47 0.78 0.00 0.00 0.00 178.15 178.56 3jx4 h ASN 634 N 0.58 0.00 -0.70 1.72 2.35 -0.90 -2.70 115.58 115.94 3jx4 h ASN 634 Ca 0.52 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.22 3jx4 h ASN 634 Cb 0.85 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 3jx4 h ASN 634 CO -0.42 0.47 0.21 0.40 -1.65 0.00 0.00 177.43 176.44 3jx4 h ILE 635 N 0.00 1.26 -0.04 2.81 2.04 0.13 -3.02 117.51 120.68 3jx4 h ILE 635 Ca -0.00 -0.89 -0.18 0.00 1.00 0.00 0.00 64.86 64.78 3jx4 h ILE 635 Cb 1.35 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3jx4 h ILE 635 CO 0.06 0.35 -0.78 0.00 0.00 0.00 0.00 178.15 177.78 3jx4 h ALA 636 N 1.17 0.60 0.05 1.87 0.00 -0.97 -1.27 119.26 120.71 3jx4 h ALA 636 Ca 0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3jx4 h ALA 636 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jx4 h ALA 636 CO -0.01 0.82 -0.02 0.28 0.00 0.00 0.00 179.25 180.32 3jx4 h VAL 637 N 0.18 1.11 -0.61 0.00 2.07 -1.51 -1.17 116.25 116.31 3jx4 h VAL 637 Ca -0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3jx4 h VAL 637 Cb 1.36 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3jx4 h VAL 637 CO 0.12 0.13 0.39 -0.07 0.02 0.00 0.00 177.57 178.17 3jx4 h LEU 638 N -0.30 0.72 -0.45 2.57 3.38 -1.41 -2.18 115.31 117.63 3jx4 h LEU 638 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3jx4 h LEU 638 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3jx4 h LEU 638 CO 0.01 0.54 0.08 0.22 0.09 0.00 0.00 178.44 179.38 3jx4 h TYR 639 N 0.83 0.79 0.13 1.13 3.20 -1.22 -2.22 116.97 119.61 3jx4 h TYR 639 Ca 0.22 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3jx4 h TYR 639 Cb -0.07 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3jx4 h TYR 639 CO -0.03 0.74 -0.06 0.77 -1.64 0.00 0.00 178.16 177.94 3jx4 h SER 640 N 0.61 -0.15 -0.25 -2.11 0.02 -0.98 -0.82 113.55 109.86 3jx4 h SER 640 Ca 0.14 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3jx4 h SER 640 Cb 0.37 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3jx4 h SER 640 CO 0.01 0.04 0.01 -0.26 -1.14 0.00 0.00 176.83 175.49 3jx4 h PHE 641 N -0.34 0.01 -0.31 3.45 -1.00 -1.38 -1.38 116.94 115.99 3jx4 h PHE 641 Ca -0.02 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3jx4 h PHE 641 Cb 0.27 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3jx4 h PHE 641 CO -0.02 -0.03 0.15 1.96 -1.61 0.00 0.00 178.31 178.77 3jx4 h GLN 642 N 0.09 0.45 0.00 1.51 4.20 -1.35 -1.08 115.11 118.93 3jx4 h GLN 642 Ca 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3jx4 h GLN 642 Cb 0.15 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3jx4 h GLN 642 CO -0.19 0.41 -0.11 0.77 -0.67 0.00 0.00 178.83 179.04 3jx4 h SER 643 N 0.37 0.00 -0.12 1.46 0.02 -0.85 0.14 113.55 114.58 3jx4 h SER 643 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3jx4 h SER 643 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3jx4 h SER 643 CO -0.01 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 3jx4 n ASP 644 N -4.05 1.68 -2.29 3.07 8.00 -0.55 -4.96 116.55 117.45 3jx4 n ASP 644 Ca -0.02 -1.65 -0.20 0.00 0.71 0.00 0.00 54.79 53.63 3jx4 n ASP 644 Cb 0.20 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3jx4 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx4 n LYS 645 N 0.32 -1.72 -3.30 -1.24 4.01 0.49 -4.99 118.16 111.73 3jx4 n LYS 645 Ca 0.17 0.98 -0.38 0.00 -0.51 0.00 0.00 58.31 58.57 3jx4 n LYS 645 Cb 0.35 -5.60 -0.06 0.00 -0.51 0.00 0.00 35.03 29.21 3jx4 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jx4 s VAL 646 N -2.94 5.15 0.06 -0.18 1.01 -0.50 -4.34 120.40 118.66 3jx4 s VAL 646 Ca 0.00 1.01 -0.36 0.00 0.00 0.00 0.00 61.98 62.63 3jx4 s VAL 646 Cb 0.00 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 3jx4 s VAL 646 CO 0.00 0.34 1.47 0.41 0.00 0.00 0.00 175.10 177.32 3jx4 n THR 647 N 3.49 0.06 -3.63 3.92 -1.04 -0.51 -4.23 114.28 112.34 3jx4 n THR 647 Ca -0.07 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 3jx4 n THR 647 Cb 0.52 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 3jx4 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx4 s ILE 648 N 1.07 0.04 -0.03 12.58 2.07 -1.26 -4.38 121.20 131.29 3jx4 s ILE 648 Ca 0.85 -0.36 0.05 0.00 -1.41 0.00 0.00 60.65 59.77 3jx4 s ILE 648 Cb -0.89 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.75 3jx4 s ILE 648 CO 0.47 -0.20 -0.16 0.54 -1.91 0.00 0.00 174.94 173.67 3jx4 s VAL 649 N -2.40 1.32 0.60 4.00 0.11 -0.34 -4.99 120.40 118.70 3jx4 s VAL 649 Ca -0.06 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.19 3jx4 s VAL 649 Cb -0.01 -1.12 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 3jx4 s VAL 649 CO -0.02 0.38 1.02 1.51 -3.33 0.00 0.00 175.10 174.66 3jx4 s ASP 650 N -0.15 6.31 0.47 3.54 -4.77 -1.26 0.19 116.67 121.00 3jx4 s ASP 650 Ca 0.01 1.44 0.20 0.00 -3.30 0.00 0.00 52.55 50.90 3jx4 s ASP 650 Cb -0.09 -2.47 1.15 0.00 -1.09 0.00 0.00 42.92 40.41 3jx4 s ASP 650 CO 0.01 -0.81 1.99 1.12 0.70 0.00 0.00 175.17 178.18 3jx4 h HIS 651 N -0.07 0.00 -0.30 2.11 2.07 -1.98 -0.37 115.15 116.62 3jx4 h HIS 651 Ca -0.45 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.02 3jx4 h HIS 651 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 3jx4 h HIS 651 CO 0.65 0.19 -0.01 0.45 -3.07 0.00 0.00 177.93 176.14 3jx4 h HIS 652 N 0.00 0.59 -0.18 6.12 3.86 -1.97 -2.64 115.15 120.93 3jx4 h HIS 652 Ca -0.00 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 3jx4 h HIS 652 Cb 0.40 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3jx4 h HIS 652 CO 0.00 0.69 -0.36 1.03 0.86 0.00 0.00 177.93 180.15 3jx4 h SER 653 N 0.33 0.63 -0.66 2.45 0.87 -1.84 -1.64 113.55 113.68 3jx4 h SER 653 Ca 0.08 -0.55 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 3jx4 h SER 653 Cb 0.46 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 3jx4 h SER 653 CO 0.02 1.06 0.36 0.00 -0.53 0.00 0.00 176.83 177.74 3jx4 h ALA 654 N 0.58 0.89 0.08 6.23 0.00 -1.11 -1.82 119.26 124.11 3jx4 h ALA 654 Ca 0.01 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 3jx4 h ALA 654 Cb 0.96 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.66 3jx4 h ALA 654 CO 0.08 0.03 -1.05 1.79 0.00 0.00 0.00 179.25 180.10 3jx4 h THR 655 N 0.67 1.33 -0.87 0.00 1.35 -1.44 -0.86 112.91 113.08 3jx4 h THR 655 Ca 0.30 -2.36 0.11 0.00 -0.55 0.00 0.00 66.41 63.91 3jx4 h THR 655 Cb 0.20 2.67 -0.08 0.00 -1.73 0.00 0.00 68.15 69.22 3jx4 h THR 655 CO -0.19 0.71 0.50 -0.08 -0.25 0.00 0.00 175.52 176.21 3jx4 h GLU 656 N 0.16 0.79 -0.38 4.72 4.81 -1.21 -0.61 114.58 122.87 3jx4 h GLU 656 Ca -0.15 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 3jx4 h GLU 656 Cb 1.74 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 3jx4 h GLU 656 CO 0.20 0.52 -0.18 0.77 -0.73 0.00 0.00 179.01 179.60 3jx4 h SER 657 N 0.81 0.81 0.25 1.04 0.02 -1.26 -2.59 113.55 112.64 3jx4 h SER 657 Ca 0.43 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3jx4 h SER 657 Cb 0.44 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3jx4 h SER 657 CO -0.27 1.04 -0.13 0.15 -1.14 0.00 0.00 176.83 176.47 3jx4 h PHE 658 N 0.59 0.00 -0.17 3.45 3.57 -0.60 -1.76 116.94 122.02 3jx4 h PHE 658 Ca 0.09 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 3jx4 h PHE 658 Cb 0.73 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.47 3jx4 h PHE 658 CO 0.06 0.13 -0.61 0.82 -2.23 0.00 0.00 178.31 176.47 3jx4 h ILE 659 N 0.00 1.31 -0.44 1.41 1.08 -0.87 -1.45 117.51 118.55 3jx4 h ILE 659 Ca -0.00 -1.84 0.08 0.00 -0.39 0.00 0.00 64.86 62.70 3jx4 h ILE 659 Cb 0.29 1.97 -0.07 0.00 -3.07 0.00 0.00 36.82 35.94 3jx4 h ILE 659 CO 0.02 0.58 0.01 0.50 -0.69 0.00 0.00 178.15 178.57 3jx4 h LYS 660 N 0.42 0.12 -0.70 2.37 3.64 -1.21 -1.97 116.57 119.24 3jx4 h LYS 660 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3jx4 h LYS 660 Cb 1.24 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3jx4 h LYS 660 CO 0.13 0.08 0.40 1.25 -2.27 0.00 0.00 179.45 179.04 3jx4 h HIS 661 N 0.13 0.94 -0.18 1.91 2.76 -1.26 -0.45 115.15 119.00 3jx4 h HIS 661 Ca 0.22 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3jx4 h HIS 661 Cb 0.31 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3jx4 h HIS 661 CO -0.28 0.65 0.06 1.98 -1.30 0.00 0.00 177.93 179.04 3jx4 h MET 662 N 0.95 0.28 -0.58 5.26 4.05 -1.03 0.11 114.93 123.97 3jx4 h MET 662 Ca 0.25 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 3jx4 h MET 662 Cb 0.00 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3jx4 h MET 662 CO -0.04 0.38 0.38 0.93 0.23 0.00 0.00 176.91 178.79 3jx4 h GLU 663 N 0.12 0.61 -0.01 0.39 5.08 -1.19 0.18 114.58 119.76 3jx4 h GLU 663 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3jx4 h GLU 663 Cb 0.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3jx4 h GLU 663 CO -0.00 0.40 0.00 -0.91 -1.00 0.00 0.00 179.01 177.50 3jx4 h ASN 664 N 0.62 0.02 -0.26 1.42 2.35 -0.52 -2.90 115.58 116.31 3jx4 h ASN 664 Ca 0.24 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3jx4 h ASN 664 Cb 0.16 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3jx4 h ASN 664 CO -0.07 0.22 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.54 3jx4 h GLU 665 N -0.18 0.64 -0.17 0.81 4.39 -0.22 -0.85 114.58 118.98 3jx4 h GLU 665 Ca 0.00 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 3jx4 h GLU 665 Cb 0.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3jx4 h GLU 665 CO -0.00 0.70 0.09 1.88 -1.16 0.00 0.00 179.01 180.53 3jx4 h TYR 666 N 0.59 0.24 0.00 4.33 -1.99 -0.66 0.20 116.97 119.68 3jx4 h TYR 666 Ca 0.11 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 3jx4 h TYR 666 Cb 0.47 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 3jx4 h TYR 666 CO 0.02 0.24 -0.13 0.07 -0.00 0.00 0.00 178.16 178.36 3jx4 h ARG 667 N 0.17 0.00 0.00 4.88 0.11 -1.41 -2.02 114.38 116.12 3jx4 h ARG 667 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3jx4 h ARG 667 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3jx4 h ARG 667 CO -0.01 0.13 -1.44 0.00 0.10 0.00 0.00 179.97 178.75 3jx4 n ARG 669 N -1.85 2.12 -0.32 0.00 0.63 0.57 -5.02 116.66 112.79 3jx4 n ARG 669 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3jx4 n ARG 669 Cb 0.35 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.42 3jx4 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx4 n GLY 670 N 1.74 0.83 0.00 5.14 0.00 -0.49 -4.58 105.19 107.83 3jx4 n GLY 670 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3jx4 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx4 n GLY 671 N -2.32 -1.76 3.22 -0.02 0.00 -0.81 0.14 105.19 103.64 3jx4 n GLY 671 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3jx4 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx4 s PRO 673 N 2.86 4.42 -0.17 0.00 0.04 -1.26 -4.62 135.00 136.26 3jx4 s PRO 673 Ca 0.14 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 3jx4 s PRO 673 Cb -0.14 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.28 3jx4 s PRO 673 CO -0.19 -0.18 0.43 0.00 0.04 0.00 0.00 177.00 177.09 3jx4 s ALA 674 N -0.26 -1.09 -0.51 8.56 0.00 -0.24 -4.31 121.76 123.91 3jx4 s ALA 674 Ca 0.54 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.91 3jx4 s ALA 674 Cb -0.36 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 21.98 3jx4 s ALA 674 CO 0.41 -0.26 0.40 0.34 0.00 0.00 0.00 175.76 176.65 3jx4 s ASP 675 N 1.20 5.81 0.25 0.00 3.68 0.42 -3.51 116.67 124.52 3jx4 s ASP 675 Ca -0.08 -2.01 -0.03 0.00 2.13 0.00 0.00 52.55 52.56 3jx4 s ASP 675 Cb -0.07 -2.04 0.44 0.00 -1.45 0.00 0.00 42.92 39.80 3jx4 s ASP 675 CO -0.11 -0.69 1.80 -0.25 0.13 0.00 0.00 175.17 176.05 3jx4 h TRP 676 N 8.38 0.85 -0.78 -5.34 7.01 -1.90 -0.85 115.95 123.31 3jx4 h TRP 676 Ca -0.19 0.03 0.15 0.00 2.11 0.00 0.00 58.89 60.99 3jx4 h TRP 676 Cb 1.07 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.82 3jx4 h TRP 676 CO 0.68 0.31 0.52 0.28 -2.79 0.00 0.00 178.44 177.44 3jx4 h VAL 677 N 0.76 0.79 0.00 2.65 2.07 -1.93 -1.67 116.25 118.93 3jx4 h VAL 677 Ca 0.42 -0.15 -0.32 0.00 0.82 0.00 0.00 66.70 67.46 3jx4 h VAL 677 Cb 0.45 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3jx4 h VAL 677 CO -0.28 0.08 -1.97 0.79 0.02 0.00 0.00 177.57 176.22 3jx4 n TRP 678 N -4.49 0.64 -0.06 1.57 7.02 -0.42 -4.44 117.44 117.26 3jx4 n TRP 678 Ca 0.15 0.23 -0.16 0.00 -1.02 0.00 0.00 57.50 56.70 3jx4 n TRP 678 Cb 0.53 -1.12 -0.06 0.00 -2.42 0.00 0.00 31.31 28.25 3jx4 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx4 h ILE 679 N 0.00 1.30 -2.73 -0.99 1.08 -0.86 -3.44 117.51 111.87 3jx4 h ILE 679 Ca -0.39 -1.76 -0.53 0.00 -0.39 0.00 0.00 64.86 61.79 3jx4 h ILE 679 Cb 2.10 1.84 0.02 0.00 -3.07 0.00 0.00 36.82 37.70 3jx4 h ILE 679 CO 0.06 0.56 0.97 -0.69 -0.69 0.00 0.00 178.15 178.36 3jx4 s VAL 680 N -3.97 3.12 0.73 1.67 1.01 -0.67 -4.94 120.40 117.35 3jx4 s VAL 680 Ca -0.11 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 3jx4 s VAL 680 Cb 0.08 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3jx4 s VAL 680 CO 0.87 0.00 1.09 -2.84 0.00 0.00 0.00 175.10 174.22 3jx4 s PRO 681 N 2.53 2.50 -0.00 2.72 0.02 -1.26 -4.90 135.00 136.61 3jx4 s PRO 681 Ca 0.72 1.19 0.07 0.00 0.02 0.00 0.00 61.00 62.99 3jx4 s PRO 681 Cb -0.39 -1.93 0.19 0.00 0.02 0.00 0.00 34.50 32.40 3jx4 s PRO 681 CO 0.31 -1.46 1.16 -0.35 -0.33 0.00 0.00 177.00 176.33 3jx4 n PRO 682 N -3.18 1.50 -4.06 5.54 -0.04 -1.26 -4.15 135.00 129.35 3jx4 n PRO 682 Ca 0.09 -0.77 -0.12 0.00 -0.04 0.00 0.00 63.50 62.66 3jx4 n PRO 682 Cb 0.53 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 3jx4 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx4 s MET 683 N -1.71 0.53 -1.29 0.54 0.23 -1.26 -4.93 119.30 111.42 3jx4 s MET 683 Ca 0.14 -0.81 -0.03 0.00 -1.03 0.00 0.00 55.69 53.97 3jx4 s MET 683 Cb 0.07 -0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.17 3jx4 s MET 683 CO 0.10 0.03 0.22 0.43 -2.03 0.00 0.00 175.02 173.76 3jx4 n SER 684 N 1.30 -4.49 -0.22 -1.18 7.64 -1.26 -4.88 113.62 110.54 3jx4 n SER 684 Ca -0.22 -0.05 -0.06 0.00 1.01 0.00 0.00 58.87 59.55 3jx4 n SER 684 Cb 0.55 -3.74 -0.05 0.00 -1.01 0.00 0.00 64.21 59.96 3jx4 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx4 n GLY 685 N -1.04 -1.94 0.01 0.23 0.00 -1.26 -1.71 105.19 99.47 3jx4 n GLY 685 Ca -0.12 0.73 0.10 0.00 0.00 0.00 0.00 46.02 46.72 3jx4 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx4 n SER 686 N -4.29 0.06 -0.05 1.61 3.41 -1.26 -1.91 113.62 111.20 3jx4 n SER 686 Ca 0.01 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 3jx4 n SER 686 Cb 0.13 -0.53 0.30 0.00 -0.26 0.00 0.00 64.21 63.86 3jx4 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx4 n ILE 687 N -1.56 0.00 -3.34 -1.33 -5.35 -0.70 -4.79 119.36 102.29 3jx4 n ILE 687 Ca 0.05 -0.02 -0.36 0.00 -0.27 0.00 0.00 62.75 62.15 3jx4 n ILE 687 Cb 0.25 0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 3jx4 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx4 s THR 688 N -2.89 4.84 0.32 7.28 -4.23 -0.80 -5.00 115.64 115.16 3jx4 s THR 688 Ca 0.14 0.89 0.36 0.00 -1.18 0.00 0.00 61.69 61.90 3jx4 s THR 688 Cb 0.18 -3.76 0.39 0.00 1.34 0.00 0.00 72.50 70.66 3jx4 s THR 688 CO 0.65 0.28 2.12 1.55 -0.54 0.00 0.00 174.62 178.68 3jx4 h PRO 689 N 3.67 0.00 0.00 3.99 0.13 -1.87 -2.68 132.00 135.25 3jx4 h PRO 689 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3jx4 h PRO 689 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3jx4 h PRO 689 CO 0.65 0.02 -0.05 -0.39 -0.23 0.00 0.00 178.00 178.01 3jx4 h VAL 690 N 0.00 0.12 -0.73 1.56 -1.51 -1.87 -2.90 116.25 110.93 3jx4 h VAL 690 Ca -0.00 -0.61 -0.01 0.00 -1.23 0.00 0.00 66.70 64.85 3jx4 h VAL 690 Cb 0.34 1.54 -0.04 0.00 -2.13 0.00 0.00 31.29 31.00 3jx4 h VAL 690 CO 0.00 0.04 0.43 0.15 -1.23 0.00 0.00 177.57 176.97 3jx4 h PHE 691 N 0.00 0.95 -0.26 5.19 3.57 -1.66 -2.88 116.94 121.85 3jx4 h PHE 691 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3jx4 h PHE 691 Cb 0.54 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3jx4 h PHE 691 CO 0.00 0.64 0.00 0.72 -2.23 0.00 0.00 178.31 177.44 3jx4 n HIS 692 N -4.39 0.34 -3.62 0.41 8.25 -1.09 -4.85 115.22 110.27 3jx4 n HIS 692 Ca 0.07 -0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 56.97 3jx4 n HIS 692 Cb 0.07 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 3jx4 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx4 s GLN 693 N -1.66 3.42 0.33 -0.41 2.00 -1.09 -0.47 119.66 121.79 3jx4 s GLN 693 Ca 0.32 -0.67 -0.29 0.00 -2.00 0.00 0.00 55.36 52.73 3jx4 s GLN 693 Cb 0.17 -3.62 -0.10 0.00 0.80 0.00 0.00 33.01 30.26 3jx4 s GLN 693 CO 0.25 -0.40 1.34 -1.21 -0.50 0.00 0.00 175.29 174.77 3jx4 s GLU 694 N 1.65 4.31 0.05 1.67 2.02 -0.54 -5.01 118.70 122.85 3jx4 s GLU 694 Ca 0.05 2.28 0.05 0.00 0.02 0.00 0.00 54.97 57.37 3jx4 s GLU 694 Cb -0.17 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 3jx4 s GLU 694 CO 0.08 -0.26 -0.13 -1.64 0.02 0.00 0.00 175.26 173.33 3jx4 s MET 695 N -1.75 0.83 -0.20 1.61 -1.94 -1.26 -4.61 119.30 111.98 3jx4 s MET 695 Ca 0.50 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.59 3jx4 s MET 695 Cb -0.41 -0.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.58 3jx4 s MET 695 CO 0.54 0.19 0.09 -0.51 -0.01 0.00 0.00 175.02 175.32 3jx4 s LEU 696 N -1.37 3.94 -0.24 -0.03 1.43 -1.26 -4.90 118.68 116.25 3jx4 s LEU 696 Ca -0.01 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 3jx4 s LEU 696 Cb -0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3jx4 s LEU 696 CO 0.01 0.15 0.10 0.21 0.23 0.00 0.00 176.35 177.06 3jx4 s ASN 697 N 0.51 5.45 0.21 2.29 3.04 -1.23 -1.08 114.94 124.13 3jx4 s ASN 697 Ca 0.05 -0.10 -0.11 0.00 0.04 0.00 0.00 52.86 52.74 3jx4 s ASN 697 Cb -0.12 -1.98 -0.01 0.00 -1.54 0.00 0.00 41.25 37.60 3jx4 s ASN 697 CO 0.00 0.00 0.39 -0.72 -3.04 0.00 0.00 177.10 173.73 3jx4 s TYR 698 N 1.39 0.41 -0.27 0.43 -0.85 -1.26 -4.96 117.35 112.25 3jx4 s TYR 698 Ca 0.06 -0.76 -0.04 0.00 -0.52 0.00 0.00 57.07 55.81 3jx4 s TYR 698 Cb -0.15 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.27 3jx4 s TYR 698 CO 0.05 -0.86 -0.00 1.03 -1.52 0.00 0.00 175.55 174.24 3jx4 s ARG 699 N -4.00 2.92 0.30 -3.49 0.52 -1.26 -4.82 118.95 109.12 3jx4 s ARG 699 Ca 0.21 -0.94 0.09 0.00 -0.52 0.00 0.00 55.73 54.57 3jx4 s ARG 699 Cb 0.01 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 3jx4 s ARG 699 CO 0.05 -0.43 0.03 -0.51 0.02 0.00 0.00 175.30 174.46 3jx4 s LEU 700 N 1.39 3.13 0.10 2.53 1.43 -1.26 -3.15 118.68 122.85 3jx4 s LEU 700 Ca 0.01 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.43 3jx4 s LEU 700 Cb -0.17 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3jx4 s LEU 700 CO -0.01 -0.12 -0.23 0.28 0.23 0.00 0.00 176.35 176.49 3jx4 s THR 701 N -2.40 1.92 0.78 5.49 -1.32 -1.26 -4.25 115.64 114.61 3jx4 s THR 701 Ca 0.34 -1.55 -0.13 0.00 -1.21 0.00 0.00 61.69 59.14 3jx4 s THR 701 Cb -0.04 -1.71 0.07 0.00 -1.51 0.00 0.00 72.50 69.31 3jx4 s THR 701 CO 0.20 0.07 1.17 -2.84 -2.21 0.00 0.00 174.62 171.01 3jx4 s PRO 702 N -1.79 1.88 0.10 7.08 0.02 -1.26 -5.01 135.00 136.02 3jx4 s PRO 702 Ca 0.09 1.60 -0.08 0.00 0.02 0.00 0.00 61.00 62.64 3jx4 s PRO 702 Cb -0.10 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3jx4 s PRO 702 CO 0.04 -2.00 0.19 -1.54 -0.33 0.00 0.00 177.00 173.36 3jx4 s SER 703 N -2.42 0.14 -0.04 2.53 1.04 -0.94 -3.94 113.70 110.08 3jx4 s SER 703 Ca 0.70 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3jx4 s SER 703 Cb -0.25 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3jx4 s SER 703 CO 0.50 -0.75 0.20 -0.36 0.98 0.00 0.00 173.24 173.80 3jx4 s PHE 704 N -3.90 3.57 0.08 5.02 0.40 -1.26 -1.32 117.98 120.58 3jx4 s PHE 704 Ca 0.08 0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 3jx4 s PHE 704 Cb 0.05 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 3jx4 s PHE 704 CO -0.08 0.67 -0.06 -1.21 0.70 0.00 0.00 175.22 175.24 3jx4 s GLU 705 N -1.62 0.74 0.83 0.44 0.41 -0.29 -4.96 118.70 114.25 3jx4 s GLU 705 Ca 0.24 -1.23 -0.12 0.00 -0.41 0.00 0.00 54.97 53.45 3jx4 s GLU 705 Cb -0.13 -0.11 0.09 0.00 -1.78 0.00 0.00 34.13 32.20 3jx4 s GLU 705 CO 0.14 -0.03 1.15 0.71 -0.49 0.00 0.00 175.26 176.74 3jx4 s TYR 706 N -3.39 2.85 0.03 1.61 1.51 -1.26 -1.37 117.35 117.33 3jx4 s TYR 706 Ca 0.08 0.85 -0.21 0.00 -1.01 0.00 0.00 57.07 56.78 3jx4 s TYR 706 Cb 0.04 -3.38 0.04 0.00 -0.11 0.00 0.00 41.96 38.55 3jx4 s TYR 706 CO -0.05 -1.89 0.47 1.14 -1.11 0.00 0.00 175.55 174.11 3jx4 s GLN 707 N -5.42 0.96 0.43 -0.62 -2.07 -1.26 -4.77 119.66 106.91 3jx4 s GLN 707 Ca 0.62 -0.23 -0.25 0.00 -1.82 0.00 0.00 55.36 53.68 3jx4 s GLN 707 Cb -0.12 0.43 -0.10 0.00 -1.09 0.00 0.00 33.01 32.13 3jx4 s GLN 707 CO 0.51 -0.33 1.16 -2.30 -1.32 0.00 0.00 175.29 173.01 3jx4 n PRO 708 N 0.57 1.64 -1.73 9.60 -0.02 -1.26 -4.89 135.00 138.91 3jx4 n PRO 708 Ca -0.19 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3jx4 n PRO 708 Cb 0.59 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3jx4 n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jx4 n ASP 709 N 0.23 3.81 0.25 2.55 8.00 -1.26 -4.89 116.55 125.24 3jx4 n ASP 709 Ca 0.08 1.13 0.11 0.00 0.71 0.00 0.00 54.79 56.81 3jx4 n ASP 709 Cb 0.40 -1.58 0.67 0.00 -0.02 0.00 0.00 41.12 40.59 3jx4 n ASP 709 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jx4 h PRO 710 N 5.24 0.00 0.00 -0.24 0.11 -1.92 -2.96 132.00 132.23 3jx4 h PRO 710 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3jx4 h PRO 710 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3jx4 h PRO 710 CO 0.83 0.14 -0.69 0.11 -0.21 0.00 0.00 178.00 178.19 3jx4 h TRP 711 N 0.00 0.00 0.00 0.65 0.09 -1.91 1.11 115.95 115.89 3jx4 h TRP 711 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 58.92 3jx4 h TRP 711 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.57 3jx4 h TRP 711 CO 0.00 0.69 -0.26 -0.91 0.09 0.00 0.00 178.44 178.05 3jx4 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.92 -3.39 115.58 112.73 3jx4 h ASN 712 Ca -0.01 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.50 3jx4 h ASN 712 Cb 1.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.59 3jx4 h ASN 712 CO 0.09 0.26 -1.87 0.41 -1.65 0.00 0.00 177.43 174.67 3jx4 n THR 713 N -3.58 0.86 -2.26 2.81 -1.04 -0.59 -5.02 114.28 105.47 3jx4 n THR 713 Ca -0.01 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.05 61.35 3jx4 n THR 713 Cb 0.40 -1.29 -0.01 0.00 -1.82 0.00 0.00 70.33 67.61 3jx4 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3jx4 s HIS 714 N -2.30 2.83 -0.17 -1.42 5.65 0.37 -5.03 115.29 115.23 3jx4 s HIS 714 Ca -0.21 1.54 -0.07 0.00 0.25 0.00 0.00 55.06 56.57 3jx4 s HIS 714 Cb 0.06 -3.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.06 3jx4 s HIS 714 CO 0.32 -1.52 0.04 0.08 -0.65 0.00 0.00 174.74 173.02 3jx4 s VAL 715 N -1.59 4.63 -2.00 0.89 1.01 -1.26 -4.92 120.40 117.16 3jx4 s VAL 715 Ca 0.65 -0.09 0.27 0.00 0.00 0.00 0.00 61.98 62.82 3jx4 s VAL 715 Cb -0.28 -3.07 0.78 0.00 0.00 0.00 0.00 36.38 33.81 3jx4 s VAL 715 CO 0.33 0.48 1.98 0.79 0.00 0.00 0.00 175.10 178.68