#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3k n ASP 284 N 0.00 0.94 0.19 1.67 5.75 -1.26 -4.48 116.55 119.35 1j3k n ASP 284 Ca 0.00 -0.97 0.03 0.00 -0.01 0.00 0.00 54.79 53.84 1j3k n ASP 284 Cb 0.00 0.77 0.36 0.00 -1.03 0.00 0.00 41.12 41.21 1j3k n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1j3k h GLU 285 N 0.63 0.00 0.00 0.11 5.08 -2.06 -0.90 114.58 117.44 1j3k h GLU 285 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j3k h GLU 285 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1j3k h GLU 285 CO 0.00 0.39 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 1j3k n GLU 286 N -3.96 0.15 0.02 2.33 4.71 -1.26 -2.32 120.64 120.31 1j3k n GLU 286 Ca -0.02 0.36 -0.12 0.00 -0.01 0.00 0.00 57.16 57.37 1j3k n GLU 286 Cb 0.43 -1.78 -0.01 0.00 -1.01 0.00 0.00 31.44 29.07 1j3k n GLU 286 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1j3k h GLU 287 N 0.00 0.55 -0.01 3.49 5.08 -1.44 -1.87 114.58 120.38 1j3k h GLU 287 Ca 0.00 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 1j3k h GLU 287 Cb 0.37 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1j3k h GLU 287 CO 0.00 1.07 -0.75 -0.44 -1.00 0.00 0.00 179.01 177.89 1j3k h ASP 288 N 0.37 0.10 -0.25 1.42 5.19 -1.51 -2.90 116.42 118.86 1j3k h ASP 288 Ca -0.04 -0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 1j3k h ASP 288 Cb 1.34 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1j3k h ASP 288 CO 0.14 0.81 -0.11 0.44 -3.12 0.00 0.00 179.24 177.40 1j3k h ASP 289 N 0.05 0.63 -0.65 6.45 3.32 -1.37 -1.92 116.42 122.92 1j3k h ASP 289 Ca -0.02 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1j3k h ASP 289 Cb 1.32 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1j3k h ASP 289 CO 0.10 0.77 0.41 0.15 -1.72 0.00 0.00 179.24 178.96 1j3k h PHE 290 N 0.59 0.84 -0.81 4.55 3.57 -1.14 -2.06 116.94 122.48 1j3k h PHE 290 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1j3k h PHE 290 Cb 0.53 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1j3k h PHE 290 CO 0.02 0.55 0.41 0.28 -2.23 0.00 0.00 178.31 177.35 1j3k h VAL 291 N 0.89 1.25 -0.38 1.41 2.07 -1.24 -2.84 116.25 117.41 1j3k h VAL 291 Ca 0.24 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1j3k h VAL 291 Cb -0.06 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1j3k h VAL 291 CO -0.05 0.29 0.23 1.88 0.02 0.00 0.00 177.57 179.94 1j3k h TYR 292 N 1.13 0.50 0.00 1.57 0.05 -0.84 -1.87 116.97 117.51 1j3k h TYR 292 Ca 0.28 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1j3k h TYR 292 Cb 0.08 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1j3k h TYR 292 CO 0.01 0.36 0.09 0.74 -1.05 0.00 0.00 178.16 178.30 1j3k h PHE 293 N 0.50 0.00 -0.65 4.88 0.04 -1.15 0.12 116.94 120.68 1j3k h PHE 293 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1j3k h PHE 293 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1j3k h PHE 293 CO -0.04 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.76 1j3k n ASN 294 N -2.89 4.02 -0.16 2.17 3.02 -0.71 -4.52 115.26 116.19 1j3k n ASN 294 Ca -0.02 -2.18 0.16 0.00 -0.03 0.00 0.00 54.58 52.51 1j3k n ASN 294 Cb 0.14 -0.50 0.52 0.00 -0.61 0.00 0.00 39.78 39.33 1j3k n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3k h PHE 295 N 3.94 0.44 -0.52 3.10 -0.00 -0.70 -2.08 116.94 121.12 1j3k h PHE 295 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 1j3k h PHE 295 Cb 1.11 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 1j3k h PHE 295 CO 0.57 0.16 0.00 -1.71 -0.00 0.00 0.00 178.31 177.34 1j3k n ASN 296 N -4.47 5.27 -4.80 -0.68 5.15 -1.26 -5.00 115.26 109.47 1j3k n ASN 296 Ca 0.14 -2.91 -0.34 0.00 -0.60 0.00 0.00 54.58 50.88 1j3k n ASN 296 Cb 0.56 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 39.14 1j3k n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j3k s LYS 297 N -2.69 3.63 0.77 1.20 -0.14 -0.79 -5.00 119.74 116.72 1j3k s LYS 297 Ca 0.52 1.35 -0.15 0.00 -1.36 0.00 0.00 55.97 56.33 1j3k s LYS 297 Cb 0.39 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.50 1j3k s LYS 297 CO 0.15 -0.57 0.96 0.39 -0.76 0.00 0.00 175.35 175.52 1j3k n GLU 298 N -1.27 0.31 -0.18 1.68 4.71 -1.26 -5.03 120.64 119.60 1j3k n GLU 298 Ca 0.09 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1j3k n GLU 298 Cb 0.52 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1j3k n GLU 298 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1j3k n LYS 299 N -2.21 0.24 -0.09 3.49 2.85 -1.26 -5.05 118.16 116.13 1j3k n LYS 299 Ca 0.12 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.16 1j3k n LYS 299 Cb 0.50 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.76 1j3k n LYS 299 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1j3k n GLU 300 N -0.96 0.61 0.00 -1.58 0.28 -1.26 -4.28 120.64 113.45 1j3k n GLU 300 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1j3k n GLU 300 Cb 0.00 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1j3k n GLU 300 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1j3k n GLU 301 N -4.18 0.98 -0.01 3.44 1.02 -1.26 -1.94 120.64 118.70 1j3k n GLU 301 Ca -0.35 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 56.88 1j3k n GLU 301 Cb 0.79 -1.45 -0.14 0.00 -0.02 0.00 0.00 31.44 30.62 1j3k n GLU 301 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3k n LYS 302 N -0.03 0.63 -1.64 3.49 4.81 -1.26 -4.92 118.16 119.24 1j3k n LYS 302 Ca 0.00 -0.15 -0.48 0.00 -0.87 0.00 0.00 58.31 56.82 1j3k n LYS 302 Cb 0.23 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 1j3k n LYS 302 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1j3k n ASN 303 N -2.05 2.49 0.15 3.14 4.05 -0.82 -4.90 115.26 117.33 1j3k n ASN 303 Ca -0.02 1.11 0.13 0.00 0.45 0.00 0.00 54.58 56.24 1j3k n ASN 303 Cb 0.46 -1.34 0.45 0.00 1.23 0.00 0.00 39.78 40.57 1j3k n ASN 303 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1j3k h LYS 304 N 5.08 0.00 -6.02 1.20 2.10 -1.91 -3.48 116.57 113.54 1j3k h LYS 304 Ca -0.46 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.66 1j3k h LYS 304 Cb 1.29 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.55 1j3k h LYS 304 CO 0.82 0.00 -0.46 -0.80 -2.00 0.00 0.00 179.45 177.01 1j3k s ASN 305 N -4.79 4.69 -1.31 7.07 0.01 -1.26 -5.04 114.94 114.32 1j3k s ASN 305 Ca 0.06 -0.91 -0.14 0.00 -0.71 0.00 0.00 52.86 51.16 1j3k s ASN 305 Cb 0.10 -0.55 0.12 0.00 0.41 0.00 0.00 41.25 41.32 1j3k s ASN 305 CO 0.52 -0.55 1.80 -1.54 -1.51 0.00 0.00 177.10 175.82 1j3k n SER 306 N -1.34 4.82 -4.43 -1.22 3.41 -1.26 -4.95 113.62 108.65 1j3k n SER 306 Ca 0.00 -2.97 -0.34 0.00 -0.26 0.00 0.00 58.87 55.30 1j3k n SER 306 Cb 0.63 -1.61 -0.13 0.00 -0.26 0.00 0.00 64.21 62.84 1j3k n SER 306 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1j3k s ILE 307 N 2.27 3.65 0.31 -1.33 -1.09 -1.26 -5.10 121.20 118.66 1j3k s ILE 307 Ca 0.46 -0.43 -0.22 0.00 -2.23 0.00 0.00 60.65 58.23 1j3k s ILE 307 Cb 0.06 -2.61 -0.09 0.00 -1.58 0.00 0.00 42.46 38.23 1j3k s ILE 307 CO 0.00 0.47 0.85 -1.00 -1.23 0.00 0.00 174.94 174.04 1j3k s HIS 308 N 0.69 3.58 0.12 3.97 3.76 -1.26 -4.99 115.29 121.16 1j3k s HIS 308 Ca -0.03 1.57 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 1j3k s HIS 308 Cb -0.15 -2.77 -0.06 0.00 1.11 0.00 0.00 32.58 30.71 1j3k s HIS 308 CO 0.02 0.18 1.62 -1.35 -0.85 0.00 0.00 174.74 174.36 1j3k h PRO 309 N 2.93 -0.45 0.00 8.40 0.11 -2.01 -2.29 132.00 138.68 1j3k h PRO 309 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j3k h PRO 309 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1j3k h PRO 309 CO 0.64 -0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 1j3k n ASN 310 N -5.41 0.00 0.21 -2.05 3.02 -1.26 -3.22 115.26 106.55 1j3k n ASN 310 Ca -0.05 -0.57 0.07 0.00 -0.03 0.00 0.00 54.58 54.00 1j3k n ASN 310 Cb 0.32 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.93 1j3k n ASN 310 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1j3k h ASP 311 N 0.00 0.00 -0.75 6.41 3.32 -1.81 -3.20 116.42 120.39 1j3k h ASP 311 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1j3k h ASP 311 Cb 0.00 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.13 1j3k h ASP 311 CO 0.00 0.31 -0.93 0.49 -1.72 0.00 0.00 179.24 177.39 1j3k n PHE 312 N -3.69 2.24 0.04 4.55 3.72 -1.20 -4.84 117.46 118.28 1j3k n PHE 312 Ca -0.01 -2.33 -0.12 0.00 -0.05 0.00 0.00 57.45 54.94 1j3k n PHE 312 Cb 0.42 -0.28 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 1j3k n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1j3k h GLN 313 N 2.42 -0.01 -0.01 -1.08 4.15 -1.72 0.90 115.11 119.76 1j3k h GLN 313 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1j3k h GLN 313 Cb 1.36 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.05 1j3k h GLN 313 CO 0.57 0.01 -0.00 0.82 -1.93 0.00 0.00 178.83 178.30 1j3k h ILE 314 N -0.03 1.30 -0.61 2.39 2.04 -1.89 -1.40 117.51 119.31 1j3k h ILE 314 Ca -0.00 -0.89 0.13 0.00 1.00 0.00 0.00 64.86 65.10 1j3k h ILE 314 Cb 0.03 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 37.88 1j3k h ILE 314 CO 0.00 0.23 -0.03 0.22 0.00 0.00 0.00 178.15 178.57 1j3k h TYR 315 N -0.35 -0.10 0.00 1.37 3.20 -1.72 0.25 116.97 119.62 1j3k h TYR 315 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1j3k h TYR 315 Cb 0.38 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1j3k h TYR 315 CO 0.05 -0.18 0.00 0.09 -1.64 0.00 0.00 178.16 176.48 1j3k n ASN 316 N -5.31 0.00 0.12 -2.11 3.02 0.31 -3.39 115.26 107.90 1j3k n ASN 316 Ca 0.08 -0.12 0.03 0.00 -0.03 0.00 0.00 54.58 54.55 1j3k n ASN 316 Cb 0.34 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1j3k n ASN 316 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1j3k h SER 317 N 0.00 0.00 -3.59 6.41 4.64 0.65 -3.46 113.55 118.20 1j3k h SER 317 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1j3k h SER 317 Cb 0.26 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1j3k h SER 317 CO 0.00 0.45 0.63 -0.76 -0.87 0.00 0.00 176.83 176.28 1j3k s LEU 318 N -6.25 4.44 -0.15 5.97 1.43 -1.16 -4.95 118.68 118.00 1j3k s LEU 318 Ca 0.03 2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 55.40 1j3k s LEU 318 Cb 0.08 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 1j3k s LEU 318 CO 0.75 -0.49 0.42 0.50 0.23 0.00 0.00 176.35 177.77 1j3k h LYS 319 N 4.53 0.00 -5.07 1.70 1.63 -1.92 -3.45 116.57 114.00 1j3k h LYS 319 Ca -0.46 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.67 1j3k h LYS 319 Cb 1.22 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.51 1j3k h LYS 319 CO 0.72 0.76 -0.84 0.71 -3.45 0.00 0.00 179.45 177.35 1j3k s TYR 320 N -2.16 2.79 -0.74 1.91 2.02 -1.26 -5.03 117.35 114.89 1j3k s TYR 320 Ca -0.18 -1.53 0.04 0.00 -0.37 0.00 0.00 57.07 55.02 1j3k s TYR 320 Cb 0.00 -1.93 0.25 0.00 -0.40 0.00 0.00 41.96 39.88 1j3k s TYR 320 CO 0.52 -0.76 0.85 1.63 -1.57 0.00 0.00 175.55 176.21 1j3k n LYS 321 N 4.59 2.79 0.00 -0.62 5.02 -1.26 -4.87 118.16 123.81 1j3k n LYS 321 Ca -0.21 -4.63 0.12 0.00 -2.02 0.00 0.00 58.31 51.58 1j3k n LYS 321 Cb 0.50 -2.31 0.29 0.00 -0.02 0.00 0.00 35.03 33.49 1j3k n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j3k n TYR 322 N 1.12 0.00 -1.73 2.13 4.01 -1.26 -4.83 117.16 116.61 1j3k n TYR 322 Ca 0.28 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 1j3k n TYR 322 Cb 0.39 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1j3k n TYR 322 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1j3k n HIS 323 N -1.29 2.61 0.32 -0.72 -0.00 -1.26 -4.85 115.22 110.04 1j3k n HIS 323 Ca 0.07 0.43 0.22 0.00 0.46 0.00 0.00 57.72 58.90 1j3k n HIS 323 Cb 0.34 -2.50 1.15 0.00 -0.12 0.00 0.00 29.99 28.86 1j3k n HIS 323 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j3k h PRO 324 N 3.52 0.00 0.00 1.57 0.11 -1.98 -1.42 132.00 133.81 1j3k h PRO 324 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1j3k h PRO 324 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j3k h PRO 324 CO 0.69 0.00 -0.13 1.49 -0.21 0.00 0.00 178.00 179.85 1j3k h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.96 -1.20 114.58 117.27 1j3k h GLU 325 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j3k h GLU 325 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1j3k h GLU 325 CO 0.00 0.13 0.00 1.88 -0.73 0.00 0.00 179.01 180.29 1j3k h TYR 326 N 0.00 0.00 -0.40 0.92 0.05 -1.57 -0.60 116.97 115.37 1j3k h TYR 326 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1j3k h TYR 326 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1j3k h TYR 326 CO 0.00 0.00 -0.02 1.96 -1.05 0.00 0.00 178.16 179.05 1j3k h GLN 327 N 0.00 0.65 0.11 4.88 4.20 -1.40 0.47 115.11 124.02 1j3k h GLN 327 Ca 0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1j3k h GLN 327 Cb 0.15 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1j3k h GLN 327 CO 0.00 0.68 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.86 1j3k h TYR 328 N 0.61 -0.14 -0.88 2.96 3.20 -1.33 -3.14 116.97 118.25 1j3k h TYR 328 Ca 0.12 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.11 1j3k h TYR 328 Cb 0.41 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1j3k h TYR 328 CO 0.02 0.21 0.57 -0.07 -1.64 0.00 0.00 178.16 177.24 1j3k h LEU 329 N -0.98 0.71 -1.16 2.82 3.38 -1.15 -1.85 115.31 117.09 1j3k h LEU 329 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1j3k h LEU 329 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1j3k h LEU 329 CO 0.03 0.39 -0.36 0.78 0.09 0.00 0.00 178.44 179.37 1j3k h ASN 330 N 0.77 0.11 -0.21 -0.43 2.35 -0.15 -2.13 115.58 115.90 1j3k h ASN 330 Ca 0.42 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 56.03 1j3k h ASN 330 Cb 0.55 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1j3k h ASN 330 CO -0.19 0.47 -0.27 0.40 -1.65 0.00 0.00 177.43 176.19 1j3k h ILE 331 N 0.10 1.33 -0.66 2.81 2.04 -1.29 -0.77 117.51 121.07 1j3k h ILE 331 Ca 0.01 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1j3k h ILE 331 Cb 0.68 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1j3k h ILE 331 CO 0.05 0.45 0.43 0.40 0.00 0.00 0.00 178.15 179.48 1j3k h ILE 332 N 0.22 1.14 -0.44 -0.67 2.04 -1.39 -0.43 117.51 117.99 1j3k h ILE 332 Ca 0.02 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1j3k h ILE 332 Cb 0.84 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1j3k h ILE 332 CO 0.06 0.16 0.21 0.22 0.00 0.00 0.00 178.15 178.80 1j3k h TYR 333 N 0.86 0.64 -0.88 1.37 3.20 -1.31 -0.21 116.97 120.63 1j3k h TYR 333 Ca 0.25 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1j3k h TYR 333 Cb -0.06 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 1j3k h TYR 333 CO -0.03 0.52 0.57 0.22 -1.64 0.00 0.00 178.16 177.80 1j3k h ASP 334 N 0.57 1.02 -0.39 -2.11 3.58 -0.58 -1.36 116.42 117.15 1j3k h ASP 334 Ca 0.15 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.43 1j3k h ASP 334 Cb 0.12 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1j3k h ASP 334 CO -0.02 0.75 -0.29 0.40 -2.88 0.00 0.00 179.24 177.20 1j3k h ILE 335 N 1.20 1.27 -0.53 2.25 2.04 -0.54 0.11 117.51 123.32 1j3k h ILE 335 Ca 0.32 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1j3k h ILE 335 Cb -0.12 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1j3k h ILE 335 CO -0.07 0.49 0.05 0.24 0.00 0.00 0.00 178.15 178.87 1j3k h MET 336 N 0.78 0.89 0.16 2.37 2.86 -0.73 1.17 114.93 122.43 1j3k h MET 336 Ca 0.09 -0.26 -0.29 0.00 -2.06 0.00 0.00 59.70 57.18 1j3k h MET 336 Cb 0.87 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 32.45 1j3k h MET 336 CO 0.08 0.89 -1.30 0.52 1.06 0.00 0.00 176.91 178.16 1j3k h MET 337 N 0.77 0.38 0.00 1.72 2.86 -1.23 -3.40 114.93 116.02 1j3k h MET 337 Ca 0.16 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1j3k h MET 337 Cb 0.45 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1j3k h MET 337 CO 0.02 1.29 0.00 0.09 1.06 0.00 0.00 176.91 179.37 1j3k n ASN 338 N -3.61 1.07 -4.59 1.22 3.02 0.39 -4.01 115.26 108.75 1j3k n ASN 338 Ca -0.11 -1.24 -0.30 0.00 -0.03 0.00 0.00 54.58 52.90 1j3k n ASN 338 Cb 1.04 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 40.41 1j3k n ASN 338 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1j3k s GLY 339 N -0.24 1.62 -0.17 7.41 0.00 0.40 -4.95 107.32 111.39 1j3k s GLY 339 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 44.72 44.86 1j3k s GLY 339 CO 0.00 0.79 0.15 -1.31 0.00 0.00 0.00 173.10 172.73 1j3k s ASN 340 N -2.63 6.28 -0.01 1.64 0.01 0.17 -4.74 114.94 115.67 1j3k s ASN 340 Ca 0.67 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.84 1j3k s ASN 340 Cb -0.24 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 1j3k s ASN 340 CO 0.61 0.24 1.01 -0.54 -1.51 0.00 0.00 177.10 176.90 1j3k s LYS 341 N -0.01 4.53 0.09 -0.60 1.02 -1.26 -0.70 119.74 122.80 1j3k s LYS 341 Ca 0.11 1.45 -0.15 0.00 0.02 0.00 0.00 55.97 57.40 1j3k s LYS 341 Cb -0.11 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1j3k s LYS 341 CO 0.00 -0.11 0.35 -0.65 -0.92 0.00 0.00 175.35 174.02 1j3k s GLN 342 N 1.16 0.95 0.74 1.68 -0.21 -0.52 -4.99 119.66 118.47 1j3k s GLN 342 Ca 0.52 -0.65 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 1j3k s GLN 342 Cb -0.21 0.41 0.11 0.00 1.00 0.00 0.00 33.01 34.31 1j3k s GLN 342 CO 0.27 -0.34 1.03 -1.54 -2.12 0.00 0.00 175.29 172.58 1j3k s SER 343 N -2.53 4.40 0.28 5.90 1.04 -1.26 -0.68 113.70 120.85 1j3k s SER 343 Ca 0.00 0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 1j3k s SER 343 Cb 0.01 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.62 1j3k s SER 343 CO -0.08 -1.84 0.58 1.51 0.98 0.00 0.00 173.24 174.39 1j3k s ASP 344 N -4.65 -0.01 0.50 7.02 -4.77 -1.26 -4.74 116.67 108.75 1j3k s ASP 344 Ca 0.64 -0.94 0.27 0.00 -3.30 0.00 0.00 52.55 49.23 1j3k s ASP 344 Cb -0.07 0.66 1.37 0.00 -1.09 0.00 0.00 42.92 43.79 1j3k s ASP 344 CO 0.45 -1.28 1.88 -0.09 0.70 0.00 0.00 175.17 176.84 1j3k h ARG 345 N 2.14 0.11 0.00 2.11 2.43 -2.01 -1.48 114.38 117.68 1j3k h ARG 345 Ca -0.25 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1j3k h ARG 345 Cb 1.25 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1j3k h ARG 345 CO 0.33 0.07 -0.02 0.25 -1.51 0.00 0.00 179.97 179.10 1j3k n THR 346 N -4.35 0.44 0.00 0.20 -2.24 -1.26 -4.92 114.28 102.15 1j3k n THR 346 Ca 0.18 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1j3k n THR 346 Cb 0.87 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1j3k n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3k n GLY 347 N 1.36 2.50 0.16 3.38 0.00 -0.56 -4.87 105.19 107.16 1j3k n GLY 347 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1j3k n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j3k h VAL 348 N 0.00 1.40 0.00 1.61 2.07 -1.91 -3.46 116.25 115.95 1j3k h VAL 348 Ca 0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1j3k h VAL 348 Cb 0.00 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1j3k h VAL 348 CO 0.00 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1j3k n GLY 349 N 0.31 -1.33 3.52 2.17 0.00 -1.26 -4.53 105.19 104.07 1j3k n GLY 349 Ca -0.02 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1j3k n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3k n VAL 350 N -0.84 0.00 -5.12 1.61 0.24 0.14 -2.19 118.33 112.17 1j3k n VAL 350 Ca 0.00 -1.56 -0.31 0.00 -2.04 0.00 0.00 64.34 60.43 1j3k n VAL 350 Cb 0.00 1.08 -0.17 0.00 -1.47 0.00 0.00 33.84 33.28 1j3k n VAL 350 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3k s LEU 351 N 0.00 2.03 0.11 1.34 1.43 -0.79 -1.44 118.68 121.36 1j3k s LEU 351 Ca 0.25 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1j3k s LEU 351 Cb -0.02 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1j3k s LEU 351 CO 0.18 0.14 0.10 -0.94 0.23 0.00 0.00 176.35 176.07 1j3k s SER 352 N 0.39 0.27 0.13 2.29 1.04 0.12 -1.38 113.70 116.56 1j3k s SER 352 Ca -0.18 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.20 1j3k s SER 352 Cb -0.18 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1j3k s SER 352 CO 0.08 -0.74 0.10 -0.54 0.98 0.00 0.00 173.24 173.12 1j3k s LYS 353 N -3.98 0.94 -0.13 4.02 -0.14 -0.49 -0.65 119.74 119.30 1j3k s LYS 353 Ca 0.16 -1.35 -0.00 0.00 -1.36 0.00 0.00 55.97 53.42 1j3k s LYS 353 Cb 0.06 0.27 0.02 0.00 -1.68 0.00 0.00 37.83 36.51 1j3k s LYS 353 CO -0.03 -0.28 -0.10 0.12 -0.76 0.00 0.00 175.35 174.30 1j3k s PHE 354 N -4.01 1.81 0.00 3.18 5.36 -1.26 -1.56 117.98 121.50 1j3k s PHE 354 Ca 0.20 -0.99 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 1j3k s PHE 354 Cb 0.07 -1.41 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 1j3k s PHE 354 CO -0.00 -0.59 0.00 0.41 -1.46 0.00 0.00 175.22 173.58 1j3k n GLY 355 N 4.86 -1.49 3.21 13.12 0.00 -0.59 -5.03 105.19 119.27 1j3k n GLY 355 Ca -0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1j3k n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3k s TYR 356 N 0.00 0.63 -0.08 1.61 2.02 -0.48 -4.97 117.35 116.07 1j3k s TYR 356 Ca 0.00 -1.02 -0.04 0.00 -0.37 0.00 0.00 57.07 55.64 1j3k s TYR 356 Cb 0.00 -0.30 0.04 0.00 -0.40 0.00 0.00 41.96 41.30 1j3k s TYR 356 CO 0.00 -0.57 0.18 -1.50 -1.57 0.00 0.00 175.55 172.09 1j3k s ILE 357 N -4.00 -0.07 0.12 2.71 2.07 -1.26 -0.48 121.20 120.29 1j3k s ILE 357 Ca 0.19 0.18 0.10 0.00 -1.41 0.00 0.00 60.65 59.72 1j3k s ILE 357 Cb 0.06 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 1j3k s ILE 357 CO -0.01 0.08 -0.25 -0.04 -1.91 0.00 0.00 174.94 172.80 1j3k s MET 358 N 1.31 1.35 -0.04 3.50 -1.94 -0.31 -4.98 119.30 118.18 1j3k s MET 358 Ca -0.08 -1.29 0.01 0.00 -1.71 0.00 0.00 55.69 52.62 1j3k s MET 358 Cb -0.11 -1.77 0.02 0.00 2.01 0.00 0.00 34.83 34.98 1j3k s MET 358 CO -0.07 0.42 -0.04 0.15 -0.01 0.00 0.00 175.02 175.47 1j3k s LYS 359 N -1.98 0.76 -0.08 2.03 1.02 -1.26 -0.51 119.74 119.72 1j3k s LYS 359 Ca 0.12 -0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.08 1j3k s LYS 359 Cb -0.10 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.41 1j3k s LYS 359 CO 0.05 -0.09 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.09 1j3k s PHE 360 N 0.93 2.49 -0.77 3.18 0.08 0.34 -4.98 117.98 119.25 1j3k s PHE 360 Ca -0.11 -0.87 -0.19 0.00 0.12 0.00 0.00 56.93 55.89 1j3k s PHE 360 Cb -0.14 -1.65 0.13 0.00 -0.57 0.00 0.00 43.02 40.79 1j3k s PHE 360 CO -0.00 -0.31 0.91 0.34 -0.10 0.00 0.00 175.22 176.06 1j3k s ASP 361 N 0.06 6.45 0.51 1.36 -1.08 -1.26 -0.87 116.67 121.84 1j3k s ASP 361 Ca -0.10 -1.82 0.34 0.00 -0.52 0.00 0.00 52.55 50.45 1j3k s ASP 361 Cb -0.16 -2.34 1.77 0.00 -1.46 0.00 0.00 42.92 40.73 1j3k s ASP 361 CO 0.06 -1.05 2.05 -0.07 0.52 0.00 0.00 175.17 176.68 1j3k h LEU 362 N 9.96 0.00 -0.48 -1.34 3.38 -0.89 -1.67 115.31 124.28 1j3k h LEU 362 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j3k h LEU 362 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1j3k h LEU 362 CO 1.06 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.36 1j3k h SER 363 N 0.00 0.00 0.00 -0.43 4.64 -1.66 -3.30 113.55 112.80 1j3k h SER 363 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3k h SER 363 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1j3k h SER 363 CO 0.00 0.00 -1.91 0.00 -0.87 0.00 0.00 176.83 174.05 1j3k n GLN 364 N -3.09 0.62 -3.69 4.77 1.13 -0.65 -5.06 117.38 111.40 1j3k n GLN 364 Ca 0.03 -0.18 0.01 0.00 -1.94 0.00 0.00 57.00 54.91 1j3k n GLN 364 Cb 0.46 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.31 1j3k n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3k s TYR 365 N -3.42 -0.04 -0.26 1.08 -0.85 -1.10 -5.06 117.35 107.71 1j3k s TYR 365 Ca -0.07 -0.11 -0.05 0.00 -0.52 0.00 0.00 57.07 56.32 1j3k s TYR 365 Cb 0.13 0.57 0.00 0.00 0.38 0.00 0.00 41.96 43.05 1j3k s TYR 365 CO 0.86 -0.39 0.01 0.12 -1.52 0.00 0.00 175.55 174.62 1j3k s PHE 366 N -2.50 3.06 -1.15 -3.49 5.36 -0.70 -4.08 117.98 114.49 1j3k s PHE 366 Ca 0.16 -1.05 -0.10 0.00 -0.96 0.00 0.00 56.93 54.98 1j3k s PHE 366 Cb 0.03 -2.16 -0.07 0.00 -0.34 0.00 0.00 43.02 40.48 1j3k s PHE 366 CO -0.02 -0.58 2.34 -0.35 -1.46 0.00 0.00 175.22 175.15 1j3k n PRO 367 N 4.80 2.54 -3.14 10.12 -0.04 -1.26 -3.87 135.00 144.15 1j3k n PRO 367 Ca -0.16 -1.82 -0.42 0.00 -0.04 0.00 0.00 63.50 61.06 1j3k n PRO 367 Cb 0.49 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.20 1j3k n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3k s LEU 368 N 0.44 4.27 0.13 1.53 2.96 -1.26 -4.61 118.68 122.15 1j3k s LEU 368 Ca 0.51 0.12 -0.34 0.00 -0.22 0.00 0.00 54.13 54.20 1j3k s LEU 368 Cb 0.13 -2.74 -0.17 0.00 0.50 0.00 0.00 46.19 43.92 1j3k s LEU 368 CO -0.03 -0.56 1.08 0.18 -1.32 0.00 0.00 176.35 175.70 1j3k n LEU 369 N 5.96 0.88 -0.00 -0.68 4.77 -1.26 -4.76 117.00 121.90 1j3k n LEU 369 Ca -0.02 1.14 0.07 0.00 -0.03 0.00 0.00 56.01 57.17 1j3k n LEU 369 Cb 0.49 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.37 1j3k n LEU 369 CO 0.48 -1.61 -0.13 0.35 -1.33 0.00 0.00 177.39 175.15 1j3k n THR 370 N 1.40 0.00 1.73 -5.08 -2.24 -1.26 -4.44 114.28 104.39 1j3k n THR 370 Ca 0.17 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1j3k n THR 370 Cb 0.21 0.88 0.26 0.00 -2.10 0.00 0.00 70.33 69.58 1j3k n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3k n THR 371 N -1.45 0.00 -3.52 4.28 -2.24 -1.26 -0.96 114.28 109.13 1j3k n THR 371 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1j3k n THR 371 Cb 0.26 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1j3k n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3k s LYS 372 N -2.00 0.79 -0.01 -0.78 -2.85 -1.26 -4.71 119.74 108.91 1j3k s LYS 372 Ca 0.13 -0.16 -0.27 0.00 -1.00 0.00 0.00 55.97 54.68 1j3k s LYS 372 Cb 0.06 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1j3k s LYS 372 CO 0.10 -0.32 0.84 0.21 0.10 0.00 0.00 175.35 176.29 1j3k s LYS 373 N -2.52 4.51 0.05 1.78 2.20 -1.17 -4.63 119.74 119.96 1j3k s LYS 373 Ca 0.02 1.16 0.07 0.00 -0.36 0.00 0.00 55.97 56.87 1j3k s LYS 373 Cb -0.01 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1j3k s LYS 373 CO -0.05 0.06 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.29 1j3k s LEU 374 N 0.72 2.18 -0.01 5.43 1.43 -1.26 -4.78 118.68 122.37 1j3k s LEU 374 Ca 0.44 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1j3k s LEU 374 Cb -0.20 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1j3k s LEU 374 CO 0.24 0.13 -0.25 -0.36 0.23 0.00 0.00 176.35 176.34 1j3k s PHE 375 N -0.83 2.38 -1.56 0.29 0.40 -1.26 -5.06 117.98 112.33 1j3k s PHE 375 Ca 0.07 -0.40 0.13 0.00 -0.60 0.00 0.00 56.93 56.12 1j3k s PHE 375 Cb -0.09 -1.50 0.09 0.00 0.51 0.00 0.00 43.02 42.04 1j3k s PHE 375 CO 0.02 0.02 0.89 1.28 0.70 0.00 0.00 175.22 178.12 1j3k n LEU 376 N 2.31 2.01 -0.04 -0.37 4.77 -1.26 -4.72 117.00 119.70 1j3k n LEU 376 Ca -0.16 -0.98 -0.09 0.00 -0.03 0.00 0.00 56.01 54.75 1j3k n LEU 376 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1j3k n LEU 376 CO 0.23 0.37 0.69 -0.09 -1.33 0.00 0.00 177.39 177.27 1j3k h ARG 377 N 2.41 -0.25 -0.43 3.23 2.43 -1.99 -1.49 114.38 118.29 1j3k h ARG 377 Ca 0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1j3k h ARG 377 Cb 0.52 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1j3k h ARG 377 CO 0.00 -0.17 0.28 0.78 -1.51 0.00 0.00 179.97 179.35 1j3k h GLY 378 N -0.26 0.61 2.00 2.80 0.00 -1.96 0.12 103.07 106.37 1j3k h GLY 378 Ca 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1j3k h GLY 378 CO -0.37 0.21 -0.27 0.16 0.00 0.00 0.00 176.54 176.26 1j3k h ILE 379 N 0.57 0.85 -0.05 2.60 3.07 -1.80 0.19 117.51 122.93 1j3k h ILE 379 Ca 0.16 -1.08 -0.18 0.00 1.55 0.00 0.00 64.86 65.31 1j3k h ILE 379 Cb -0.05 1.65 0.01 0.00 -0.27 0.00 0.00 36.82 38.16 1j3k h ILE 379 CO -0.05 0.27 -0.67 0.40 -1.05 0.00 0.00 178.15 177.05 1j3k h ILE 380 N 0.00 1.36 -0.70 0.16 2.04 -0.76 -0.90 117.51 118.71 1j3k h ILE 380 Ca -0.00 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 63.82 1j3k h ILE 380 Cb 0.63 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1j3k h ILE 380 CO 0.04 0.60 0.34 -0.33 0.00 0.00 0.00 178.15 178.80 1j3k h GLU 381 N 0.14 0.99 -0.21 2.37 4.39 -0.11 -1.03 114.58 121.11 1j3k h GLU 381 Ca -0.07 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1j3k h GLU 381 Cb 1.34 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1j3k h GLU 381 CO 0.13 0.76 0.11 1.49 -1.16 0.00 0.00 179.01 180.35 1j3k h GLU 382 N 0.98 0.23 -0.89 2.33 4.81 -0.52 -0.11 114.58 121.40 1j3k h GLU 382 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1j3k h GLU 382 Cb 0.10 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1j3k h GLU 382 CO -0.03 0.15 0.57 1.25 -0.73 0.00 0.00 179.01 180.22 1j3k h LEU 383 N 0.23 1.04 -0.69 1.64 5.85 -0.54 0.50 115.31 123.34 1j3k h LEU 383 Ca 0.08 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1j3k h LEU 383 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1j3k h LEU 383 CO -0.05 0.77 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.31 1j3k h LEU 384 N 1.22 0.53 -0.48 2.25 3.38 -0.64 -1.21 115.31 120.37 1j3k h LEU 384 Ca 0.32 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1j3k h LEU 384 Cb -0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1j3k h LEU 384 CO -0.07 0.90 0.16 -0.25 0.09 0.00 0.00 178.44 179.27 1j3k h TRP 385 N 0.41 0.76 -0.25 1.13 7.01 -0.27 -1.44 115.95 123.30 1j3k h TRP 385 Ca 0.03 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1j3k h TRP 385 Cb 0.92 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1j3k h TRP 385 CO 0.03 0.66 0.14 0.74 -2.79 0.00 0.00 178.44 177.22 1j3k h PHE 386 N 0.64 0.34 -0.30 2.65 0.04 -0.64 -2.50 116.94 117.17 1j3k h PHE 386 Ca 0.16 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1j3k h PHE 386 Cb 0.25 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1j3k h PHE 386 CO 0.01 0.30 0.19 0.82 -0.60 0.00 0.00 178.31 179.02 1j3k h ILE 387 N 0.29 1.08 0.00 -0.55 2.04 -1.01 0.58 117.51 119.94 1j3k h ILE 387 Ca 0.09 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1j3k h ILE 387 Cb 0.07 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1j3k h ILE 387 CO -0.01 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.76 1j3k n ARG 388 N -4.48 0.51 -1.10 2.37 1.74 -0.56 -4.88 116.66 110.26 1j3k n ARG 388 Ca 0.01 0.03 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1j3k n ARG 388 Cb 0.08 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1j3k n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3k n GLY 389 N 0.87 0.64 3.79 -0.13 0.00 0.19 -5.02 105.19 105.54 1j3k n GLY 389 Ca 0.15 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1j3k n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3k s GLU 390 N -1.77 3.75 0.00 1.61 2.02 -1.01 -3.79 118.70 119.51 1j3k s GLU 390 Ca 0.00 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1j3k s GLU 390 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1j3k s GLU 390 CO 0.00 -0.48 0.56 0.25 0.02 0.00 0.00 175.26 175.61 1j3k n THR 391 N -0.97 0.30 -2.98 3.63 -2.24 -1.26 -4.41 114.28 106.34 1j3k n THR 391 Ca 0.09 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1j3k n THR 391 Cb 0.52 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 1j3k n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3k s ASN 392 N -0.30 6.28 0.59 3.42 3.84 -1.26 -2.26 114.94 125.26 1j3k s ASN 392 Ca 0.00 -0.62 0.31 0.00 0.21 0.00 0.00 52.86 52.76 1j3k s ASN 392 Cb 0.00 -2.37 1.86 0.00 -0.55 0.00 0.00 41.25 40.19 1j3k s ASN 392 CO 0.00 -1.08 2.26 1.23 -2.79 0.00 0.00 177.10 176.73 1j3k h GLY 393 N 10.39 0.00 2.00 1.21 0.00 -1.25 -2.37 103.07 113.05 1j3k h GLY 393 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1j3k h GLY 393 CO 1.03 0.00 -0.28 3.43 0.00 0.00 0.00 176.54 180.72 1j3k h ASN 394 N 0.00 0.00 -0.60 0.19 -0.26 -1.92 -2.27 115.58 110.72 1j3k h ASN 394 Ca -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1j3k h ASN 394 Cb 0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1j3k h ASN 394 CO 0.00 0.28 0.37 0.74 -1.06 0.00 0.00 177.43 177.76 1j3k h THR 395 N 0.00 1.17 -0.23 2.81 2.02 -1.82 -0.57 112.91 116.30 1j3k h THR 395 Ca -0.00 -0.37 -0.19 0.00 0.77 0.00 0.00 66.41 66.62 1j3k h THR 395 Cb 0.53 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1j3k h THR 395 CO 0.04 0.17 -0.62 -0.07 0.37 0.00 0.00 175.52 175.41 1j3k h LEU 396 N 0.81 0.90 -1.08 2.58 3.38 -1.63 -3.12 115.31 117.15 1j3k h LEU 396 Ca 0.22 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1j3k h LEU 396 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1j3k h LEU 396 CO -0.04 1.30 0.38 -0.07 0.09 0.00 0.00 178.44 180.10 1j3k h LEU 397 N 0.58 0.92 -1.29 1.67 3.38 -1.18 0.30 115.31 119.69 1j3k h LEU 397 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1j3k h LEU 397 Cb 1.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1j3k h LEU 397 CO 0.13 0.75 0.00 0.78 0.09 0.00 0.00 178.44 180.19 1j3k h ASN 398 N 1.02 0.00 -0.50 -0.43 2.35 -1.04 0.30 115.58 117.28 1j3k h ASN 398 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1j3k h ASN 398 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1j3k h ASN 398 CO -0.04 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.03 1j3k n LYS 399 N -2.39 3.13 -3.44 0.81 5.02 -0.27 -4.94 118.16 116.08 1j3k n LYS 399 Ca -0.00 -2.55 -0.22 0.00 -2.02 0.00 0.00 58.31 53.52 1j3k n LYS 399 Cb 0.13 -1.61 0.07 0.00 -0.02 0.00 0.00 35.03 33.61 1j3k n LYS 399 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j3k n ASN 400 N 0.76 -6.10 -4.30 4.39 5.15 0.11 -5.00 115.26 110.26 1j3k n ASN 400 Ca 0.20 -0.47 -0.35 0.00 -0.60 0.00 0.00 54.58 53.36 1j3k n ASN 400 Cb 0.68 -4.76 -0.14 0.00 -0.53 0.00 0.00 39.78 35.03 1j3k n ASN 400 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j3k s VAL 401 N -3.28 3.30 -0.54 3.44 1.01 -0.07 -5.00 120.40 119.27 1j3k s VAL 401 Ca 0.51 -0.52 0.15 0.00 0.00 0.00 0.00 61.98 62.12 1j3k s VAL 401 Cb -0.22 -2.50 0.49 0.00 0.00 0.00 0.00 36.38 34.15 1j3k s VAL 401 CO 0.63 0.43 1.40 0.54 0.00 0.00 0.00 175.10 178.10 1j3k n ARG 402 N 4.79 3.09 -0.35 2.72 1.74 -1.26 -3.33 116.66 124.06 1j3k n ARG 402 Ca -0.18 -2.60 0.13 0.00 -0.77 0.00 0.00 57.85 54.43 1j3k n ARG 402 Cb 0.51 -1.68 0.32 0.00 -1.02 0.00 0.00 32.46 30.59 1j3k n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3k h ILE 403 N 2.23 0.69 -0.43 0.55 2.04 -1.96 -2.43 117.51 118.20 1j3k h ILE 403 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1j3k h ILE 403 Cb 1.23 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1j3k h ILE 403 CO 0.16 0.14 0.00 0.79 0.00 0.00 0.00 178.15 179.24 1j3k n TRP 404 N -4.79 0.56 0.10 1.37 7.02 -1.26 -4.68 117.44 115.77 1j3k n TRP 404 Ca 0.23 -0.32 -0.13 0.00 -1.02 0.00 0.00 57.50 56.26 1j3k n TRP 404 Cb 0.58 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.40 1j3k n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3k h GLU 405 N 3.92 -0.57 0.00 -0.99 4.81 -1.75 -2.70 114.58 117.30 1j3k h GLU 405 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1j3k h GLU 405 Cb 0.91 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1j3k h GLU 405 CO 0.00 -0.38 -0.05 0.00 -0.73 0.00 0.00 179.01 177.85 1j3k h ALA 406 N -0.01 1.82 -0.00 2.92 0.00 -1.83 -2.13 119.26 120.03 1j3k h ALA 406 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3k h ALA 406 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1j3k h ALA 406 CO -0.24 0.07 -0.03 0.09 0.00 0.00 0.00 179.25 179.14 1j3k n ASN 407 N -4.35 0.11 -0.41 0.00 3.02 -1.03 -3.72 115.26 108.87 1j3k n ASN 407 Ca -0.03 -0.27 0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1j3k n ASN 407 Cb 0.14 -0.22 0.09 0.00 -0.61 0.00 0.00 39.78 39.18 1j3k n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3k n GLY 408 N 1.28 2.29 3.81 7.41 0.00 -0.80 -4.65 105.19 114.53 1j3k n GLY 408 Ca 0.15 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1j3k n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3k s THR 409 N -0.94 3.90 0.22 2.61 -4.23 -1.23 -0.42 115.64 115.55 1j3k s THR 409 Ca 0.15 0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 61.23 1j3k s THR 409 Cb 0.08 -3.34 0.18 0.00 1.34 0.00 0.00 72.50 70.76 1j3k s THR 409 CO 0.10 -0.76 1.70 -0.09 -0.54 0.00 0.00 174.62 175.03 1j3k h ARG 410 N -0.56 0.24 -0.63 3.99 9.65 -1.96 -0.69 114.38 124.42 1j3k h ARG 410 Ca -0.44 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.35 1j3k h ARG 410 Cb 1.21 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1j3k h ARG 410 CO 0.56 0.16 0.11 0.93 2.80 0.00 0.00 179.97 184.54 1j3k h GLU 411 N 0.25 1.03 -0.33 0.20 3.07 -1.97 -1.14 114.58 115.70 1j3k h GLU 411 Ca 0.33 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1j3k h GLU 411 Cb 0.51 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1j3k h GLU 411 CO -0.43 0.96 -0.01 0.35 -1.40 0.00 0.00 179.01 178.48 1j3k h PHE 412 N 0.95 0.64 -0.47 4.33 3.04 -1.65 -0.82 116.94 122.96 1j3k h PHE 412 Ca 0.19 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1j3k h PHE 412 Cb 0.42 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1j3k h PHE 412 CO 0.03 0.71 0.12 -0.07 -2.02 0.00 0.00 178.31 177.08 1j3k h LEU 413 N 0.38 0.70 -1.13 0.59 3.38 -1.05 -2.42 115.31 115.76 1j3k h LEU 413 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1j3k h LEU 413 Cb 0.46 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1j3k h LEU 413 CO 0.02 0.75 0.46 0.44 0.09 0.00 0.00 178.44 180.20 1j3k h ASP 414 N 0.62 0.93 -0.22 -0.43 3.32 -1.11 0.23 116.42 119.76 1j3k h ASP 414 Ca 0.15 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1j3k h ASP 414 Cb 0.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1j3k h ASP 414 CO 0.00 0.72 0.13 -1.13 -1.72 0.00 0.00 179.24 177.24 1j3k h ASN 415 N 1.07 0.29 -0.11 6.45 -1.24 -0.70 0.36 115.58 121.70 1j3k h ASN 415 Ca 0.28 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1j3k h ASN 415 Cb -0.03 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.94 1j3k h ASN 415 CO -0.05 0.25 0.00 0.54 -1.29 0.00 0.00 177.43 176.88 1j3k n ARG 416 N -4.46 1.51 -1.97 6.67 5.12 -0.36 -4.89 116.66 118.27 1j3k n ARG 416 Ca 0.01 -0.77 -0.10 0.00 -1.93 0.00 0.00 57.85 55.06 1j3k n ARG 416 Cb 0.10 -1.37 -0.01 0.00 -1.16 0.00 0.00 32.46 30.02 1j3k n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3k n LYS 417 N -0.01 -0.77 -2.60 5.56 4.76 0.13 -4.92 118.16 120.30 1j3k n LYS 417 Ca 0.16 0.57 -0.40 0.00 -2.87 0.00 0.00 58.31 55.77 1j3k n LYS 417 Cb 0.25 -4.60 0.02 0.00 -1.84 0.00 0.00 35.03 28.86 1j3k n LYS 417 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3k n LEU 418 N -1.36 7.22 -0.12 -0.35 4.77 0.65 -4.78 117.00 123.03 1j3k n LEU 418 Ca -0.11 -5.36 0.06 0.00 -0.03 0.00 0.00 56.01 50.56 1j3k n LEU 418 Cb 0.53 -1.13 0.38 0.00 -2.33 0.00 0.00 43.42 40.87 1j3k n LEU 418 CO 0.14 2.04 1.20 -0.26 -1.33 0.00 0.00 177.39 179.18 1j3k h PHE 419 N 4.04 0.67 -0.61 -1.77 0.04 -1.86 -2.62 116.94 114.83 1j3k h PHE 419 Ca 0.52 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 61.12 1j3k h PHE 419 Cb 0.31 -0.22 -0.11 0.00 2.20 0.00 0.00 35.95 38.12 1j3k h PHE 419 CO 1.30 0.38 0.24 0.72 -0.60 0.00 0.00 178.31 180.35 1j3k n HIS 420 N -4.47 2.01 -4.18 -0.55 8.25 -1.26 -4.88 115.22 110.14 1j3k n HIS 420 Ca 0.08 -1.03 -0.34 0.00 -0.26 0.00 0.00 57.72 56.16 1j3k n HIS 420 Cb 0.17 -0.60 -0.11 0.00 1.12 0.00 0.00 29.99 30.57 1j3k n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3k s ARG 421 N -2.49 3.83 0.59 -0.41 6.06 -0.99 -5.09 118.95 120.46 1j3k s ARG 421 Ca 0.44 -0.42 -0.18 0.00 -2.50 0.00 0.00 55.73 53.07 1j3k s ARG 421 Cb 0.35 -3.08 -0.03 0.00 0.06 0.00 0.00 34.95 32.25 1j3k s ARG 421 CO 0.11 0.27 1.16 -2.00 -2.50 0.00 0.00 175.30 172.34 1j3k s GLU 422 N 0.33 3.04 0.30 5.12 2.12 -1.26 -4.93 118.70 123.42 1j3k s GLU 422 Ca 0.00 1.65 -0.30 0.00 0.36 0.00 0.00 54.97 56.68 1j3k s GLU 422 Cb -0.13 -1.96 -0.12 0.00 0.26 0.00 0.00 34.13 32.18 1j3k s GLU 422 CO 0.01 -1.11 1.42 0.28 -0.54 0.00 0.00 175.26 175.33 1j3k n VAL 423 N -1.70 1.42 -0.94 3.70 0.31 -1.26 -1.16 118.33 118.69 1j3k n VAL 423 Ca 0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1j3k n VAL 423 Cb 0.51 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1j3k n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3k n ASN 424 N 1.53 -2.91 -4.38 4.52 5.03 0.43 -4.93 115.26 114.55 1j3k n ASN 424 Ca 0.08 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.08 1j3k n ASN 424 Cb 0.35 -1.47 -0.04 0.00 -1.02 0.00 0.00 39.78 37.60 1j3k n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3k s ASP 425 N -2.18 6.31 0.00 6.41 -1.08 -0.31 -0.64 116.67 125.18 1j3k s ASP 425 Ca 0.00 -1.67 0.18 0.00 -0.52 0.00 0.00 52.55 50.54 1j3k s ASP 425 Cb 0.00 -2.30 0.83 0.00 -1.46 0.00 0.00 42.92 39.99 1j3k s ASP 425 CO 0.00 -1.04 1.54 0.18 0.52 0.00 0.00 175.17 176.37 1j3k n LEU 426 N 6.07 0.00 0.00 -1.34 4.77 -0.96 -4.79 117.00 120.76 1j3k n LEU 426 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1j3k n LEU 426 Cb 0.44 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1j3k n LEU 426 CO 0.54 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1j3k n GLY 427 N 0.25 -2.10 2.54 -0.72 0.00 -1.26 -0.77 105.19 103.13 1j3k n GLY 427 Ca 0.07 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1j3k n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3k n PRO 428 N -0.09 2.86 -0.14 1.61 -0.04 -1.26 -4.81 135.00 133.13 1j3k n PRO 428 Ca 0.00 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1j3k n PRO 428 Cb 0.00 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 1j3k n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3k n ILE 429 N 4.21 0.00 0.00 0.52 -5.35 -1.26 -4.50 119.36 112.98 1j3k n ILE 429 Ca 0.61 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.09 1j3k n ILE 429 Cb 0.23 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.28 1j3k n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3k n TYR 430 N -1.77 0.00 -0.26 4.28 4.01 -1.26 -1.06 117.16 121.10 1j3k n TYR 430 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1j3k n TYR 430 Cb 0.00 -0.12 0.19 0.00 -0.31 0.00 0.00 39.34 39.10 1j3k n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3k h GLY 431 N 0.00 1.11 0.98 2.72 0.00 -1.78 0.45 103.07 106.56 1j3k h GLY 431 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1j3k h GLY 431 CO 0.00 -0.17 0.19 -2.75 0.00 0.00 0.00 176.54 173.81 1j3k h PHE 432 N 0.34 0.86 -0.40 5.60 3.57 -1.19 -2.38 116.94 123.35 1j3k h PHE 432 Ca 0.43 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1j3k h PHE 432 Cb 0.71 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1j3k h PHE 432 CO -0.22 0.71 -0.23 1.96 -2.23 0.00 0.00 178.31 178.31 1j3k h GLN 433 N 0.75 0.79 -0.24 1.11 1.08 -0.53 0.52 115.11 118.59 1j3k h GLN 433 Ca 0.18 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 1j3k h GLN 433 Cb 0.24 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1j3k h GLN 433 CO -0.01 0.94 -0.19 -1.49 -0.95 0.00 0.00 178.83 177.14 1j3k h TRP 434 N 0.69 0.46 0.00 2.96 4.06 -0.80 -2.75 115.95 120.57 1j3k h TRP 434 Ca 0.09 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1j3k h TRP 434 Cb 0.74 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1j3k h TRP 434 CO 0.04 0.59 -1.68 0.54 -3.56 0.00 0.00 178.44 174.37 1j3k n ARG 435 N -4.18 0.68 -2.23 0.49 5.12 -0.91 -1.55 116.66 114.08 1j3k n ARG 435 Ca -0.00 -0.11 0.02 0.00 -1.93 0.00 0.00 57.85 55.83 1j3k n ARG 435 Cb 0.35 -1.33 0.04 0.00 -1.16 0.00 0.00 32.46 30.36 1j3k n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3k n HIS 436 N -2.07 0.66 -1.68 -1.55 8.25 0.18 -3.48 115.22 115.53 1j3k n HIS 436 Ca -0.06 -1.40 -0.57 0.00 -0.26 0.00 0.00 57.72 55.44 1j3k n HIS 436 Cb 0.46 -0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 1j3k n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3k n PHE 437 N -0.12 1.91 0.00 4.41 -0.00 -0.88 -1.01 117.46 121.77 1j3k n PHE 437 Ca 0.06 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 58.09 1j3k n PHE 437 Cb 0.95 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 38.01 1j3k n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3k n GLY 438 N 3.78 1.60 3.79 7.13 0.00 -1.26 -0.39 105.19 119.84 1j3k n GLY 438 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1j3k n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3k s ALA 439 N -2.36 2.53 -0.05 4.61 0.00 -0.18 -4.82 121.76 121.49 1j3k s ALA 439 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 1j3k s ALA 439 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1j3k s ALA 439 CO 0.00 -1.27 0.89 -1.21 0.00 0.00 0.00 175.76 174.17 1j3k s GLU 440 N -4.52 4.47 0.22 0.00 0.41 -1.26 -4.99 118.70 113.03 1j3k s GLU 440 Ca 0.62 1.22 -0.28 0.00 -0.41 0.00 0.00 54.97 56.12 1j3k s GLU 440 Cb -0.17 -3.48 -0.09 0.00 -1.78 0.00 0.00 34.13 28.61 1j3k s GLU 440 CO 0.47 -0.09 0.88 -0.47 -0.49 0.00 0.00 175.26 175.56 1j3k s TYR 441 N 1.24 3.95 0.00 1.61 5.04 -1.26 -4.96 117.35 122.97 1j3k s TYR 441 Ca 0.46 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 1j3k s TYR 441 Cb -0.19 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1j3k s TYR 441 CO 0.22 0.47 0.00 0.25 -1.34 0.00 0.00 175.55 175.15 1j3k n THR 442 N 1.50 0.00 -4.00 4.34 -2.24 -1.26 -5.10 114.28 107.52 1j3k n THR 442 Ca -0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1j3k n THR 442 Cb 0.48 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 1j3k n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3k s ASN 443 N -2.30 0.03 0.14 3.42 2.20 -1.26 -5.05 114.94 112.12 1j3k s ASN 443 Ca 0.00 -0.94 0.15 0.00 -0.94 0.00 0.00 52.86 51.12 1j3k s ASN 443 Cb 0.00 0.46 0.69 0.00 -2.00 0.00 0.00 41.25 40.40 1j3k s ASN 443 CO 0.00 -0.94 1.46 1.15 -2.94 0.00 0.00 177.10 175.83 1j3k n MET 444 N -0.26 0.08 0.00 3.55 0.00 -1.26 -2.40 117.12 116.84 1j3k n MET 444 Ca -0.05 0.45 0.11 0.00 0.00 0.00 0.00 57.70 58.21 1j3k n MET 444 Cb 0.63 -1.70 -0.01 0.00 0.00 0.00 0.00 33.22 32.14 1j3k n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3k n TYR 445 N -1.87 0.00 -1.11 3.17 4.01 -1.26 -4.69 117.16 115.41 1j3k n TYR 445 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.45 1j3k n TYR 445 Cb 0.11 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.27 1j3k n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3k s ASP 446 N -2.43 3.72 -0.42 7.72 -1.08 -1.01 -5.00 116.67 118.17 1j3k s ASP 446 Ca 0.18 1.76 -0.17 0.00 -0.52 0.00 0.00 52.55 53.79 1j3k s ASP 446 Cb 0.18 -2.40 0.02 0.00 -1.46 0.00 0.00 42.92 39.26 1j3k s ASP 446 CO 0.56 -2.52 0.41 0.21 0.52 0.00 0.00 175.17 174.35 1j3k s ASN 447 N -3.24 6.18 -0.30 -0.34 3.84 -1.26 -4.93 114.94 114.88 1j3k s ASN 447 Ca 0.63 -0.75 0.11 0.00 0.21 0.00 0.00 52.86 53.06 1j3k s ASN 447 Cb -0.19 -2.21 0.70 0.00 -0.55 0.00 0.00 41.25 39.00 1j3k s ASN 447 CO 0.57 -0.56 1.72 -1.22 -2.79 0.00 0.00 177.10 174.81 1j3k n TYR 448 N 5.51 2.08 -1.69 0.43 4.01 -1.26 -5.00 117.16 121.23 1j3k n TYR 448 Ca -0.08 -1.17 -0.44 0.00 -0.16 0.00 0.00 57.90 56.05 1j3k n TYR 448 Cb 0.47 -0.61 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1j3k n TYR 448 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1j3k n GLU 449 N -0.26 2.46 -1.22 -0.72 1.02 -1.26 -1.67 120.64 118.98 1j3k n GLU 449 Ca 0.37 0.89 -0.08 0.00 -0.02 0.00 0.00 57.16 58.32 1j3k n GLU 449 Cb 1.27 -2.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1j3k n GLU 449 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j3k n ASN 450 N 3.65 -4.79 -4.64 1.62 3.02 -1.26 -5.00 115.26 107.87 1j3k n ASN 450 Ca 0.16 0.19 -0.35 0.00 -0.03 0.00 0.00 54.58 54.56 1j3k n ASN 450 Cb 0.32 -2.96 -0.10 0.00 -0.61 0.00 0.00 39.78 36.42 1j3k n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3k s LYS 451 N -2.35 3.03 0.28 3.52 1.02 -0.67 -5.01 119.74 119.57 1j3k s LYS 451 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1j3k s LYS 451 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1j3k s LYS 451 CO 0.00 0.64 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1j3k n GLY 452 N 2.34 -2.11 3.71 -3.33 0.00 -1.26 -4.42 105.19 100.12 1j3k n GLY 452 Ca -0.18 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1j3k n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3k s VAL 453 N -1.12 5.22 -1.17 1.61 1.01 0.48 -4.74 120.40 121.69 1j3k s VAL 453 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 1j3k s VAL 453 Cb 0.00 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.80 1j3k s VAL 453 CO 0.00 0.32 1.41 -0.62 0.00 0.00 0.00 175.10 176.21 1j3k s ASP 454 N 0.70 6.99 0.25 3.32 -1.08 -1.23 -2.06 116.67 123.56 1j3k s ASP 454 Ca 0.21 -2.80 -0.05 0.00 -0.52 0.00 0.00 52.55 49.39 1j3k s ASP 454 Cb -0.14 -2.42 0.32 0.00 -1.46 0.00 0.00 42.92 39.22 1j3k s ASP 454 CO 0.08 -0.83 1.88 1.56 0.52 0.00 0.00 175.17 178.38 1j3k h GLN 455 N 7.46 1.10 -0.04 4.34 4.20 -1.54 -0.64 115.11 129.99 1j3k h GLN 455 Ca 0.30 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1j3k h GLN 455 Cb 0.90 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1j3k h GLN 455 CO 1.24 0.73 -0.04 1.25 -0.67 0.00 0.00 178.83 181.34 1j3k h LEU 456 N 1.13 -0.12 -0.99 1.46 5.85 -1.60 0.67 115.31 121.70 1j3k h LEU 456 Ca 0.38 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1j3k h LEU 456 Cb 0.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1j3k h LEU 456 CO -0.14 -0.06 0.30 0.11 -0.34 0.00 0.00 178.44 178.31 1j3k h LYS 457 N -0.05 1.02 -0.35 1.25 1.79 -1.74 -2.37 116.57 116.12 1j3k h LYS 457 Ca 0.03 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1j3k h LYS 457 Cb 0.10 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1j3k h LYS 457 CO -0.07 0.82 0.19 -0.91 -1.08 0.00 0.00 179.45 178.39 1j3k h ASN 458 N 1.01 0.43 -0.06 0.86 2.35 -0.63 -1.48 115.58 118.06 1j3k h ASN 458 Ca 0.24 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1j3k h ASN 458 Cb 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1j3k h ASN 458 CO -0.02 0.39 -0.24 0.16 -1.65 0.00 0.00 177.43 176.07 1j3k h ILE 459 N 0.44 1.26 -0.54 2.81 3.07 -0.55 -0.44 117.51 123.55 1j3k h ILE 459 Ca 0.12 -1.24 -0.05 0.00 1.55 0.00 0.00 64.86 65.25 1j3k h ILE 459 Cb 0.06 1.32 -0.02 0.00 -0.27 0.00 0.00 36.82 37.91 1j3k h ILE 459 CO -0.02 0.39 0.14 0.40 -1.05 0.00 0.00 178.15 178.02 1j3k h ILE 460 N 0.43 1.24 -0.71 0.16 2.04 -1.27 0.13 117.51 119.52 1j3k h ILE 460 Ca 0.07 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1j3k h ILE 460 Cb 0.65 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1j3k h ILE 460 CO 0.05 0.31 0.17 0.78 0.00 0.00 0.00 178.15 179.46 1j3k h ASN 461 N 0.76 1.08 -0.49 1.72 2.35 -0.87 -1.61 115.58 118.52 1j3k h ASN 461 Ca 0.17 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1j3k h ASN 461 Cb 0.32 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1j3k h ASN 461 CO -0.00 1.03 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.65 1j3k h LEU 462 N 1.08 0.93 -0.94 1.61 3.38 -0.78 0.25 115.31 120.83 1j3k h LEU 462 Ca 0.22 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1j3k h LEU 462 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1j3k h LEU 462 CO 0.00 1.06 0.14 0.40 0.09 0.00 0.00 178.44 180.14 1j3k h ILE 463 N 0.78 1.24 -0.02 1.22 2.04 -0.77 0.22 117.51 122.22 1j3k h ILE 463 Ca 0.13 -0.86 -0.18 0.00 1.00 0.00 0.00 64.86 64.95 1j3k h ILE 463 Cb 0.65 0.63 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1j3k h ILE 463 CO 0.04 0.33 -0.68 0.11 0.00 0.00 0.00 178.15 177.95 1j3k h LYS 464 N 0.88 0.50 0.00 2.37 1.57 -1.14 -3.34 116.57 117.41 1j3k h LYS 464 Ca 0.19 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1j3k h LYS 464 Cb 0.32 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1j3k h LYS 464 CO -0.00 1.15 -1.51 0.09 -0.57 0.00 0.00 179.45 178.61 1j3k n ASN 465 N -4.14 0.78 -2.84 0.86 3.02 0.06 -4.69 115.26 108.32 1j3k n ASN 465 Ca -0.10 -0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 54.01 1j3k n ASN 465 Cb 0.71 1.56 0.02 0.00 -0.61 0.00 0.00 39.78 41.46 1j3k n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3k n ASP 466 N -1.90 0.66 -0.02 6.41 2.03 0.75 -4.99 116.55 119.50 1j3k n ASP 466 Ca -0.01 -2.84 0.23 0.00 0.52 0.00 0.00 54.79 52.69 1j3k n ASP 466 Cb 0.41 -0.24 0.64 0.00 -0.72 0.00 0.00 41.12 41.21 1j3k n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3k h PRO 467 N 2.90 0.00 -0.44 -0.67 0.13 -1.60 0.62 132.00 132.94 1j3k h PRO 467 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1j3k h PRO 467 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1j3k h PRO 467 CO 0.42 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.44 1j3k n THR 468 N -3.52 0.58 -2.03 1.56 -2.24 -1.26 -4.06 114.28 103.30 1j3k n THR 468 Ca 0.13 -0.60 -0.39 0.00 -2.27 0.00 0.00 64.05 60.91 1j3k n THR 468 Cb 0.95 0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1j3k n THR 468 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1j3k s SER 469 N -1.07 6.23 -0.24 3.42 0.15 0.21 -4.91 113.70 117.48 1j3k s SER 469 Ca 0.32 2.66 0.14 0.00 0.70 0.00 0.00 55.95 59.76 1j3k s SER 469 Cb 0.17 -2.64 0.70 0.00 -1.71 0.00 0.00 66.02 62.54 1j3k s SER 469 CO 0.22 -0.90 1.66 0.54 1.20 0.00 0.00 173.24 175.95 1j3k n ARG 470 N 0.03 3.88 -0.23 5.44 1.74 -1.26 -4.34 116.66 121.93 1j3k n ARG 470 Ca 0.04 -3.06 0.08 0.00 -0.77 0.00 0.00 57.85 54.15 1j3k n ARG 470 Cb 0.44 -2.11 0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1j3k n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3k n ARG 471 N 0.00 1.22 -2.78 5.56 1.74 -1.26 -4.92 116.66 116.21 1j3k n ARG 471 Ca 0.29 -2.58 -0.43 0.00 -0.77 0.00 0.00 57.85 54.36 1j3k n ARG 471 Cb 1.15 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 31.16 1j3k n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j3k s ILE 472 N -2.67 4.50 0.02 0.55 1.01 -1.26 -4.93 121.20 118.42 1j3k s ILE 472 Ca 0.31 -1.72 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1j3k s ILE 472 Cb 0.28 -4.96 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 1j3k s ILE 472 CO 0.01 -1.73 -0.14 -0.76 0.00 0.00 0.00 174.94 172.31 1j3k s LEU 473 N 3.23 2.12 -0.22 2.97 1.02 -1.26 -1.02 118.68 125.52 1j3k s LEU 473 Ca 0.42 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.20 1j3k s LEU 473 Cb -0.02 -0.66 0.04 0.00 0.02 0.00 0.00 46.19 45.57 1j3k s LEU 473 CO -0.04 0.09 -0.15 -0.22 0.02 0.00 0.00 176.35 176.04 1j3k s LEU 474 N -0.87 2.75 -0.12 1.79 2.96 -0.16 -4.91 118.68 120.12 1j3k s LEU 474 Ca 0.03 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 1j3k s LEU 474 Cb -0.07 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1j3k s LEU 474 CO 0.01 -0.09 -0.19 0.00 -1.32 0.00 0.00 176.35 174.76 1j3k n ALA 476 N 3.63 2.97 -2.47 0.00 0.00 -0.02 -4.73 120.51 119.89 1j3k n ALA 476 Ca -0.19 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 1j3k n ALA 476 Cb 0.53 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1j3k n ALA 476 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1j3k n TRP 477 N -2.24 4.33 -2.97 0.00 -0.00 -1.23 -4.84 117.44 110.49 1j3k n TRP 477 Ca -0.02 -2.63 -0.44 0.00 -0.00 0.00 0.00 57.50 54.41 1j3k n TRP 477 Cb 0.54 -2.63 -0.04 0.00 -0.00 0.00 0.00 31.31 29.18 1j3k n TRP 477 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1j3k s ASN 478 N 4.54 6.20 0.30 5.87 3.84 -1.26 -4.91 114.94 129.52 1j3k s ASN 478 Ca 0.56 -1.24 0.05 0.00 0.21 0.00 0.00 52.86 52.44 1j3k s ASN 478 Cb 0.04 -2.37 0.76 0.00 -0.55 0.00 0.00 41.25 39.13 1j3k s ASN 478 CO 0.08 -1.29 1.72 0.58 -2.79 0.00 0.00 177.10 175.41 1j3k h VAL 479 N 5.94 0.55 0.00 -5.21 2.07 -2.01 -1.05 116.25 116.53 1j3k h VAL 479 Ca -0.26 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1j3k h VAL 479 Cb 1.07 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1j3k h VAL 479 CO 1.14 0.10 -0.23 0.50 0.02 0.00 0.00 177.57 179.10 1j3k h LYS 480 N 0.53 0.00 -0.02 1.57 3.64 -2.02 -3.16 116.57 117.10 1j3k h LYS 480 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1j3k h LYS 480 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1j3k h LYS 480 CO -0.47 0.23 -0.27 -0.25 -2.27 0.00 0.00 179.45 176.41 1j3k n ASP 481 N -3.72 2.24 -0.22 4.20 8.00 -0.44 -4.68 116.55 121.92 1j3k n ASP 481 Ca -0.01 -1.62 -0.00 0.00 0.71 0.00 0.00 54.79 53.87 1j3k n ASP 481 Cb 0.34 0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.82 1j3k n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1j3k h LEU 482 N 2.98 -0.58 -1.77 0.64 3.38 -1.40 -1.14 115.31 117.41 1j3k h LEU 482 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j3k h LEU 482 Cb 0.77 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1j3k h LEU 482 CO 0.00 -0.21 0.00 0.44 0.09 0.00 0.00 178.44 178.76 1j3k h ASP 483 N 0.01 0.00 0.98 -0.43 3.32 -1.84 -2.42 116.42 116.04 1j3k h ASP 483 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1j3k h ASP 483 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1j3k h ASP 483 CO -0.66 0.00 -0.39 0.00 -1.72 0.00 0.00 179.24 176.47 1j3k n GLN 484 N -2.93 0.21 -2.85 3.56 6.02 -0.45 -4.87 117.38 116.09 1j3k n GLN 484 Ca -0.00 0.10 -0.36 0.00 -0.01 0.00 0.00 57.00 56.73 1j3k n GLN 484 Cb 0.22 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.74 1j3k n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3k s MET 485 N -3.11 4.43 0.46 -1.09 -1.94 -0.91 -4.32 119.30 112.81 1j3k s MET 485 Ca 0.09 1.19 0.18 0.00 -1.71 0.00 0.00 55.69 55.44 1j3k s MET 485 Cb 0.14 -2.63 1.15 0.00 2.01 0.00 0.00 34.83 35.50 1j3k s MET 485 CO 0.67 0.21 1.95 0.00 -0.01 0.00 0.00 175.02 177.84 1j3k h ALA 486 N 2.84 2.21 -1.82 3.03 0.00 -1.26 -3.42 119.26 120.84 1j3k h ALA 486 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3k h ALA 486 Cb 1.19 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 1j3k h ALA 486 CO 0.64 -0.39 0.29 -0.48 0.00 0.00 0.00 179.25 179.31 1j3k s LEU 487 N -9.18 -0.60 0.63 0.00 2.34 -1.26 -4.96 118.68 105.64 1j3k s LEU 487 Ca -0.07 1.10 -0.19 0.00 0.06 0.00 0.00 54.13 55.04 1j3k s LEU 487 Cb 0.20 2.21 -0.02 0.00 -0.56 0.00 0.00 46.19 48.03 1j3k s LEU 487 CO 0.75 -0.25 1.31 -2.84 -1.06 0.00 0.00 176.35 174.27 1j3k s PRO 488 N 0.11 2.63 0.50 1.48 0.02 -1.26 -4.97 135.00 133.50 1j3k s PRO 488 Ca 0.00 2.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 1j3k s PRO 488 Cb -0.04 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 1j3k s PRO 488 CO -0.01 -1.55 1.07 -1.25 -0.33 0.00 0.00 177.00 174.93 1j3k s PRO 489 N -3.31 3.69 -0.15 5.54 0.04 -1.26 -4.97 135.00 134.58 1j3k s PRO 489 Ca 0.81 1.46 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1j3k s PRO 489 Cb -0.38 -2.11 -0.23 0.00 0.04 0.00 0.00 34.50 31.81 1j3k s PRO 489 CO 0.41 -0.54 0.23 0.00 0.04 0.00 0.00 177.00 177.15 1j3k s HIS 491 N -2.55 3.23 0.10 0.00 3.76 -1.26 -1.46 115.29 117.11 1j3k s HIS 491 Ca -0.20 -1.35 -0.19 0.00 -0.15 0.00 0.00 55.06 53.18 1j3k s HIS 491 Cb 0.07 -4.04 -0.07 0.00 1.11 0.00 0.00 32.58 29.65 1j3k s HIS 491 CO 0.75 -1.28 1.62 0.82 -0.85 0.00 0.00 174.74 175.80 1j3k h ILE 492 N 5.60 1.19 -2.93 0.60 1.08 -1.59 -3.42 117.51 118.04 1j3k h ILE 492 Ca -0.06 -0.59 0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1j3k h ILE 492 Cb 1.06 1.10 -0.10 0.00 -3.07 0.00 0.00 36.82 35.80 1j3k h ILE 492 CO 1.01 0.19 0.24 -1.48 -0.69 0.00 0.00 178.15 177.43 1j3k s LEU 493 N -9.76 -0.47 -0.05 1.44 0.05 -1.24 -0.84 118.68 107.81 1j3k s LEU 493 Ca -0.14 -0.16 0.02 0.00 0.05 0.00 0.00 54.13 53.91 1j3k s LEU 493 Cb 0.08 2.58 0.01 0.00 -2.05 0.00 0.00 46.19 46.81 1j3k s LEU 493 CO 0.73 -1.03 -0.11 0.00 -0.55 0.00 0.00 176.35 175.39 1j3k s GLN 495 N 0.51 1.67 0.19 0.00 0.74 0.16 -0.98 119.66 121.94 1j3k s GLN 495 Ca -0.10 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 54.46 1j3k s GLN 495 Cb -0.13 -1.73 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 1j3k s GLN 495 CO 0.02 0.46 0.02 -0.06 -0.55 0.00 0.00 175.29 175.18 1j3k s PHE 496 N -0.68 2.87 -0.01 1.67 0.08 -0.19 -0.66 117.98 121.06 1j3k s PHE 496 Ca 0.09 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1j3k s PHE 496 Cb -0.09 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1j3k s PHE 496 CO 0.01 0.53 0.01 -0.47 -0.10 0.00 0.00 175.22 175.19 1j3k s TYR 497 N -1.81 0.12 -0.08 0.36 5.04 -0.24 -4.68 117.35 116.06 1j3k s TYR 497 Ca 0.28 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1j3k s TYR 497 Cb -0.09 -0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.03 1j3k s TYR 497 CO 0.19 -0.06 -0.15 0.08 -1.34 0.00 0.00 175.55 174.27 1j3k s VAL 498 N 0.57 1.39 -0.17 3.14 1.01 -1.26 -0.66 120.40 124.43 1j3k s VAL 498 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1j3k s VAL 498 Cb -0.08 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1j3k s VAL 498 CO -0.01 0.41 0.43 0.12 0.00 0.00 0.00 175.10 176.05 1j3k s PHE 499 N 0.70 -0.58 -1.46 5.22 5.36 -0.66 -4.75 117.98 121.81 1j3k s PHE 499 Ca -0.13 1.29 -0.03 0.00 -0.96 0.00 0.00 56.93 57.10 1j3k s PHE 499 Cb -0.16 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1j3k s PHE 499 CO 0.03 -0.31 0.44 -3.47 -1.46 0.00 0.00 175.22 170.45 1j3k n ASP 500 N 3.74 -0.68 -0.36 6.13 2.03 -1.26 -0.42 116.55 125.74 1j3k n ASP 500 Ca -0.19 -1.03 -0.05 0.00 0.52 0.00 0.00 54.79 54.04 1j3k n ASP 500 Cb 0.56 -2.91 -0.02 0.00 -0.72 0.00 0.00 41.12 38.03 1j3k n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3k n GLY 501 N -1.95 0.67 3.31 0.27 0.00 -1.26 -5.00 105.19 101.23 1j3k n GLY 501 Ca -0.26 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 1j3k n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3k s LYS 502 N -1.84 1.51 -0.14 1.61 1.02 0.44 -1.61 119.74 120.74 1j3k s LYS 502 Ca 0.00 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 1j3k s LYS 502 Cb 0.00 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1j3k s LYS 502 CO 0.00 0.44 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.58 1j3k s LEU 503 N -1.42 2.75 0.18 3.17 2.96 0.42 -1.66 118.68 125.07 1j3k s LEU 503 Ca 0.10 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1j3k s LEU 503 Cb -0.10 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1j3k s LEU 503 CO 0.03 0.14 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.57 1j3k s SER 504 N 0.48 3.73 -0.02 3.68 0.01 0.17 0.25 113.70 122.01 1j3k s SER 504 Ca -0.08 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1j3k s SER 504 Cb -0.16 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.67 1j3k s SER 504 CO 0.04 0.13 0.00 0.00 0.41 0.00 0.00 173.24 173.82 1j3k s ILE 506 N 0.78 3.65 -0.09 0.00 1.01 0.17 -0.25 121.20 126.46 1j3k s ILE 506 Ca -0.07 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1j3k s ILE 506 Cb -0.10 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1j3k s ILE 506 CO -0.02 0.52 -0.21 -0.32 0.00 0.00 0.00 174.94 174.91 1j3k s MET 507 N 0.17 2.68 -0.30 2.79 1.75 -0.07 -0.67 119.30 125.65 1j3k s MET 507 Ca -0.03 -0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 53.54 1j3k s MET 507 Cb -0.14 -2.06 -0.03 0.00 2.84 0.00 0.00 34.83 35.44 1j3k s MET 507 CO 0.03 0.14 0.20 -0.47 -0.65 0.00 0.00 175.02 174.28 1j3k s TYR 508 N 0.41 3.21 -0.28 4.11 6.14 -0.43 -0.77 117.35 129.74 1j3k s TYR 508 Ca -0.17 -0.10 -0.04 0.00 0.64 0.00 0.00 57.07 57.40 1j3k s TYR 508 Cb -0.17 -2.40 0.02 0.00 0.42 0.00 0.00 41.96 39.83 1j3k s TYR 508 CO 0.07 -0.27 0.01 -1.14 0.64 0.00 0.00 175.55 174.86 1j3k s GLN 509 N 1.72 2.85 0.43 4.97 0.74 0.09 -1.66 119.66 128.81 1j3k s GLN 509 Ca 0.06 -0.99 0.22 0.00 0.05 0.00 0.00 55.36 54.70 1j3k s GLN 509 Cb -0.17 -3.19 0.95 0.00 1.10 0.00 0.00 33.01 31.71 1j3k s GLN 509 CO 0.10 -0.47 1.85 0.07 -0.55 0.00 0.00 175.29 176.30 1j3k h ARG 510 N 8.10 0.00 -3.28 1.67 0.11 -1.54 0.22 114.38 119.66 1j3k h ARG 510 Ca -0.30 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.46 1j3k h ARG 510 Cb 1.11 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 31.82 1j3k h ARG 510 CO 0.58 0.26 -0.70 0.45 0.10 0.00 0.00 179.97 180.66 1j3k s SER 511 N -6.32 0.76 -0.14 0.08 0.15 -1.26 -1.12 113.70 105.85 1j3k s SER 511 Ca -0.01 0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.80 1j3k s SER 511 Cb 0.11 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1j3k s SER 511 CO 0.65 -0.22 -0.07 0.00 1.20 0.00 0.00 173.24 174.80 1j3k s ASP 513 N 1.65 6.17 0.21 0.00 -1.08 -1.26 -1.15 116.67 121.21 1j3k s ASP 513 Ca 0.03 -0.90 -0.10 0.00 -0.52 0.00 0.00 52.55 51.05 1j3k s ASP 513 Cb -0.14 -2.44 0.18 0.00 -1.46 0.00 0.00 42.92 39.06 1j3k s ASP 513 CO -0.08 -1.50 1.87 -0.07 0.52 0.00 0.00 175.17 175.91 1j3k h LEU 514 N 11.59 0.81 -0.56 -1.34 -0.00 -1.49 -0.52 115.31 123.80 1j3k h LEU 514 Ca -0.29 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.47 1j3k h LEU 514 Cb 1.07 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 1j3k h LEU 514 CO 1.20 0.57 -0.10 1.23 -0.00 0.00 0.00 178.44 181.34 1j3k h GLY 515 N 0.95 1.14 0.00 0.83 0.00 -1.90 -3.39 103.07 100.69 1j3k h GLY 515 Ca 0.29 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 1j3k h GLY 515 CO -0.09 0.83 -1.28 1.04 0.00 0.00 0.00 176.54 177.05 1j3k n LEU 516 N -4.15 2.77 -0.05 3.11 4.77 -1.20 -4.87 117.00 117.39 1j3k n LEU 516 Ca 0.02 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1j3k n LEU 516 Cb 0.40 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1j3k n LEU 516 CO 0.46 0.54 0.32 1.23 -1.33 0.00 0.00 177.39 178.61 1j3k h GLY 517 N 0.32 -0.03 -0.38 -0.72 0.00 -1.39 -3.40 103.07 97.48 1j3k h GLY 517 Ca -0.11 0.01 0.27 0.00 0.00 0.00 0.00 47.33 47.50 1j3k h GLY 517 CO -0.02 -0.01 0.47 -2.08 0.00 0.00 0.00 176.54 174.90 1j3k h VAL 518 N -0.95 0.38 -0.81 4.60 2.07 -1.45 -1.15 116.25 118.94 1j3k h VAL 518 Ca -0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1j3k h VAL 518 Cb 0.70 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1j3k h VAL 518 CO 0.00 0.07 0.52 -0.65 0.02 0.00 0.00 177.57 177.53 1j3k h PRO 519 N 0.36 0.99 -0.01 1.57 0.11 -1.79 -0.29 132.00 132.94 1j3k h PRO 519 Ca 0.65 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 66.47 1j3k h PRO 519 Cb 1.36 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1j3k h PRO 519 CO -0.58 0.65 -0.94 0.74 -0.21 0.00 0.00 178.00 177.66 1j3k h PHE 520 N 1.02 0.72 -0.70 0.65 0.04 -1.58 -3.00 116.94 114.08 1j3k h PHE 520 Ca 0.32 -0.38 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1j3k h PHE 520 Cb -0.01 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1j3k h PHE 520 CO -0.03 1.20 0.37 -0.91 -0.60 0.00 0.00 178.31 178.35 1j3k h ASN 521 N 0.28 0.89 -0.20 2.17 -0.26 -0.54 0.52 115.58 118.45 1j3k h ASN 521 Ca -0.09 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1j3k h ASN 521 Cb 1.58 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.60 1j3k h ASN 521 CO 0.17 0.74 0.13 0.40 -1.06 0.00 0.00 177.43 177.81 1j3k h ILE 522 N 0.97 1.04 0.04 2.81 2.04 -1.11 -2.09 117.51 121.21 1j3k h ILE 522 Ca 0.25 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.02 1j3k h ILE 522 Cb 0.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1j3k h ILE 522 CO -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 178.15 178.10 1j3k h ALA 523 N 1.08 -0.09 -0.10 1.87 0.00 -1.33 -1.66 119.26 119.03 1j3k h ALA 523 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1j3k h ALA 523 Cb -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1j3k h ALA 523 CO -0.02 -0.57 -0.13 0.77 0.00 0.00 0.00 179.25 179.30 1j3k h SER 524 N -0.12 -0.41 1.35 0.00 0.02 -0.73 -0.26 113.55 113.40 1j3k h SER 524 Ca 0.01 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1j3k h SER 524 Cb 0.13 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1j3k h SER 524 CO -0.04 -0.18 -0.07 1.88 -1.14 0.00 0.00 176.83 177.29 1j3k h TYR 525 N -0.18 0.00 -0.17 3.45 -1.99 -1.38 0.09 116.97 116.79 1j3k h TYR 525 Ca 0.08 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.68 1j3k h TYR 525 Cb 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1j3k h TYR 525 CO -0.24 0.07 -0.41 0.77 -0.00 0.00 0.00 178.16 178.35 1j3k h SER 526 N 0.00 0.66 -0.38 3.88 0.02 -0.87 -1.16 113.55 115.71 1j3k h SER 526 Ca -0.00 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1j3k h SER 526 Cb 0.76 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1j3k h SER 526 CO 0.01 1.11 0.04 0.40 -1.14 0.00 0.00 176.83 177.25 1j3k h ILE 527 N 0.25 1.25 -1.01 3.27 2.04 -0.89 -2.44 117.51 119.98 1j3k h ILE 527 Ca -0.00 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1j3k h ILE 527 Cb 1.02 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 1j3k h ILE 527 CO 0.09 0.31 0.66 0.15 0.00 0.00 0.00 178.15 179.36 1j3k h PHE 528 N 0.48 1.24 -0.76 1.37 3.57 -0.88 -1.05 116.94 120.90 1j3k h PHE 528 Ca 0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1j3k h PHE 528 Cb 0.41 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1j3k h PHE 528 CO 0.03 0.73 0.31 1.15 -2.23 0.00 0.00 178.31 178.30 1j3k h THR 529 N 1.29 1.26 -0.54 4.41 2.02 -1.00 -1.02 112.91 119.33 1j3k h THR 529 Ca 0.40 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1j3k h THR 529 Cb -0.03 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1j3k h THR 529 CO -0.12 0.32 0.19 0.45 0.37 0.00 0.00 175.52 176.74 1j3k h HIS 530 N 1.10 0.84 -0.25 3.16 3.86 -0.86 -1.15 115.15 121.86 1j3k h HIS 530 Ca 0.26 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1j3k h HIS 530 Cb 0.20 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1j3k h HIS 530 CO 0.02 0.70 0.11 0.52 0.86 0.00 0.00 177.93 180.13 1j3k h MET 531 N 0.73 0.36 -0.56 2.45 2.07 -0.81 -0.06 114.93 119.12 1j3k h MET 531 Ca 0.18 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.71 1j3k h MET 531 Cb 0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 1j3k h MET 531 CO -0.01 0.39 0.20 0.82 1.07 0.00 0.00 176.91 179.38 1j3k h ILE 532 N 0.25 1.23 0.35 -1.22 1.08 -1.12 -1.34 117.51 116.74 1j3k h ILE 532 Ca 0.08 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1j3k h ILE 532 Cb 0.15 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1j3k h ILE 532 CO -0.01 0.28 -0.18 0.00 -0.69 0.00 0.00 178.15 177.56 1j3k h ALA 533 N 1.06 -0.48 -0.33 1.87 0.00 -1.08 -2.21 119.26 118.09 1j3k h ALA 533 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1j3k h ALA 533 Cb 0.24 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1j3k h ALA 533 CO -0.01 -0.77 0.04 0.37 0.00 0.00 0.00 179.25 178.88 1j3k h GLN 534 N -0.48 0.15 0.00 0.00 4.15 -0.83 -0.34 115.11 117.76 1j3k h GLN 534 Ca -0.05 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1j3k h GLN 534 Cb 0.38 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1j3k h GLN 534 CO 0.07 0.10 0.00 1.33 -1.93 0.00 0.00 178.83 178.40 1j3k n VAL 535 N -5.12 1.08 -0.66 2.39 0.24 -0.52 -1.77 118.33 113.97 1j3k n VAL 535 Ca 0.01 0.28 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 1j3k n VAL 535 Cb 0.16 -1.09 0.24 0.00 -1.47 0.00 0.00 33.84 31.68 1j3k n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3k n ASN 537 N 0.11 -4.77 -4.48 0.00 3.02 -0.73 -4.90 115.26 103.52 1j3k n ASN 537 Ca 0.19 -0.69 -0.23 0.00 -0.03 0.00 0.00 54.58 53.83 1j3k n ASN 537 Cb 0.75 -4.41 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 1j3k n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3k s LEU 538 N -7.16 2.43 -0.11 3.41 1.43 -0.29 -5.02 118.68 113.37 1j3k s LEU 538 Ca 0.51 -1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1j3k s LEU 538 Cb -0.24 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1j3k s LEU 538 CO 0.78 -0.48 0.02 -1.10 0.23 0.00 0.00 176.35 175.81 1j3k s GLN 539 N -3.79 3.22 0.32 1.70 -1.52 -0.63 -3.98 119.66 114.97 1j3k s GLN 539 Ca 0.34 -0.37 -0.28 0.00 -1.95 0.00 0.00 55.36 53.09 1j3k s GLN 539 Cb 0.07 -2.91 -0.10 0.00 -0.22 0.00 0.00 33.01 29.86 1j3k s GLN 539 CO 0.15 0.63 1.18 -1.25 -0.25 0.00 0.00 175.29 175.75 1j3k s PRO 540 N -0.66 4.43 0.00 2.91 0.04 -1.26 -0.44 135.00 140.01 1j3k s PRO 540 Ca 0.11 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1j3k s PRO 540 Cb -0.12 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1j3k s PRO 540 CO 0.02 -0.03 0.00 0.00 0.04 0.00 0.00 177.00 177.03 1j3k n ALA 541 N 0.83 0.40 -2.69 8.56 0.00 0.14 -3.83 120.51 123.92 1j3k n ALA 541 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1j3k n ALA 541 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1j3k n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3k s GLN 542 N 0.36 2.73 -0.23 0.00 -0.21 -1.25 -0.42 119.66 120.64 1j3k s GLN 542 Ca 0.00 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.67 1j3k s GLN 542 Cb 0.00 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1j3k s GLN 542 CO 0.00 0.60 -0.05 0.12 -2.12 0.00 0.00 175.29 173.84 1j3k s PHE 543 N -1.16 2.97 -0.20 0.91 5.36 -0.05 -1.28 117.98 124.54 1j3k s PHE 543 Ca 0.22 -1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 55.05 1j3k s PHE 543 Cb -0.12 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 1j3k s PHE 543 CO 0.13 -0.61 -0.07 0.42 -1.46 0.00 0.00 175.22 173.64 1j3k s ILE 544 N 1.44 3.29 -0.26 3.12 1.01 0.65 -0.50 121.20 129.93 1j3k s ILE 544 Ca 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1j3k s ILE 544 Cb -0.15 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1j3k s ILE 544 CO -0.04 0.45 0.03 -2.28 0.00 0.00 0.00 174.94 173.10 1j3k s HIS 545 N 1.20 3.08 -0.22 3.97 2.46 0.33 -0.89 115.29 125.23 1j3k s HIS 545 Ca 0.02 -1.01 -0.09 0.00 0.47 0.00 0.00 55.06 54.46 1j3k s HIS 545 Cb -0.14 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.08 1j3k s HIS 545 CO -0.02 -0.57 0.11 0.08 -2.47 0.00 0.00 174.74 171.87 1j3k s VAL 546 N 1.48 5.02 -0.19 0.89 1.01 0.05 -1.16 120.40 127.50 1j3k s VAL 546 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1j3k s VAL 546 Cb -0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1j3k s VAL 546 CO -0.00 0.40 0.00 -0.76 0.00 0.00 0.00 175.10 174.74 1j3k s LEU 547 N 0.80 3.32 0.00 3.92 1.43 0.36 -0.73 118.68 127.79 1j3k s LEU 547 Ca 0.06 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1j3k s LEU 547 Cb -0.13 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1j3k s LEU 547 CO 0.02 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1j3k n GLY 548 N 4.08 1.02 3.56 -3.19 0.00 0.06 -1.39 105.19 109.34 1j3k n GLY 548 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1j3k n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3k s ASN 549 N -1.00 6.32 -0.27 1.61 3.84 -0.27 -1.54 114.94 123.62 1j3k s ASN 549 Ca 0.00 -0.18 -0.10 0.00 0.21 0.00 0.00 52.86 52.78 1j3k s ASN 549 Cb 0.00 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 1j3k s ASN 549 CO 0.00 -1.60 0.17 0.00 -2.79 0.00 0.00 177.10 172.88 1j3k s ALA 550 N 5.15 3.49 0.05 1.71 0.00 -0.60 -0.75 121.76 130.81 1j3k s ALA 550 Ca 0.38 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1j3k s ALA 550 Cb -0.08 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1j3k s ALA 550 CO 0.20 -0.49 -0.06 -3.38 0.00 0.00 0.00 175.76 172.04 1j3k s HIS 551 N 1.63 0.61 -0.23 0.00 -3.43 -0.30 -1.40 115.29 112.17 1j3k s HIS 551 Ca 0.07 -0.71 -0.01 0.00 -0.80 0.00 0.00 55.06 53.61 1j3k s HIS 551 Cb -0.16 -0.38 0.03 0.00 -1.43 0.00 0.00 32.58 30.64 1j3k s HIS 551 CO 0.09 -0.18 -0.10 0.08 -2.00 0.00 0.00 174.74 172.64 1j3k s VAL 552 N -2.41 2.64 0.39 -5.38 1.01 -0.48 -1.05 120.40 115.13 1j3k s VAL 552 Ca -0.03 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.66 1j3k s VAL 552 Cb -0.03 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1j3k s VAL 552 CO -0.03 0.27 1.28 -0.31 0.00 0.00 0.00 175.10 176.32 1j3k s TYR 553 N 1.30 2.91 0.32 5.22 2.02 -1.26 -1.88 117.35 125.99 1j3k s TYR 553 Ca 0.01 1.44 0.07 0.00 -0.37 0.00 0.00 57.07 58.21 1j3k s TYR 553 Cb -0.16 -3.63 0.74 0.00 -0.40 0.00 0.00 41.96 38.51 1j3k s TYR 553 CO -0.06 -1.91 1.83 -0.91 -1.57 0.00 0.00 175.55 172.93 1j3k h ASN 554 N 2.82 0.76 0.00 2.29 2.35 -1.67 -0.95 115.58 121.17 1j3k h ASN 554 Ca -0.49 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1j3k h ASN 554 Cb 1.24 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1j3k h ASN 554 CO 0.63 0.35 0.00 -0.46 -1.65 0.00 0.00 177.43 176.30 1j3k n ASN 555 N -4.63 0.00 -0.10 5.81 6.94 -1.26 -2.94 115.26 119.08 1j3k n ASN 555 Ca 0.20 -1.04 0.06 0.00 -0.02 0.00 0.00 54.58 53.77 1j3k n ASN 555 Cb 0.48 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 1j3k n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1j3k n HIS 556 N -0.85 0.00 -0.29 -2.53 8.25 -0.36 -1.31 115.22 118.13 1j3k n HIS 556 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 1j3k n HIS 556 Cb 0.06 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.39 1j3k n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3k h ILE 557 N 0.48 0.71 -0.32 1.59 2.04 -1.54 -1.27 117.51 119.21 1j3k h ILE 557 Ca 0.00 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1j3k h ILE 557 Cb 0.33 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1j3k h ILE 557 CO 0.00 0.11 -0.40 0.44 0.00 0.00 0.00 178.15 178.30 1j3k h ASP 558 N 0.58 0.91 0.01 1.72 3.32 -1.84 -2.23 116.42 118.90 1j3k h ASP 558 Ca 0.45 -0.49 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1j3k h ASP 558 Cb 0.65 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1j3k h ASP 558 CO -0.37 1.22 -0.28 0.28 -1.72 0.00 0.00 179.24 178.37 1j3k h SER 559 N 0.62 0.42 0.59 6.45 0.02 -1.70 -2.98 113.55 116.97 1j3k h SER 559 Ca 0.04 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.67 1j3k h SER 559 Cb 0.99 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1j3k h SER 559 CO 0.10 0.69 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.59 1j3k h LEU 560 N 0.37 0.21 -1.26 5.07 3.38 -1.20 -1.96 115.31 119.92 1j3k h LEU 560 Ca 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1j3k h LEU 560 Cb 0.68 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1j3k h LEU 560 CO 0.05 0.93 0.23 0.11 0.09 0.00 0.00 178.44 179.84 1j3k h LYS 561 N 0.10 0.74 -0.08 1.13 1.57 -1.28 -0.60 116.57 118.15 1j3k h LYS 561 Ca -0.03 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1j3k h LYS 561 Cb 1.41 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1j3k h LYS 561 CO 0.12 0.59 -0.21 0.82 -0.57 0.00 0.00 179.45 180.20 1j3k h ILE 562 N 0.74 1.42 -0.92 1.86 2.04 -1.37 -3.28 117.51 117.99 1j3k h ILE 562 Ca 0.18 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 1j3k h ILE 562 Cb 0.12 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1j3k h ILE 562 CO -0.02 0.44 0.56 -0.61 0.00 0.00 0.00 178.15 178.52 1j3k h GLN 563 N -0.20 1.24 0.00 2.37 4.15 -0.95 -2.41 115.11 119.32 1j3k h GLN 563 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1j3k h GLN 563 Cb 0.82 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1j3k h GLN 563 CO 0.05 0.86 0.00 -0.07 -1.93 0.00 0.00 178.83 177.73 1j3k h LEU 564 N 1.26 0.00 -1.83 -2.39 4.07 -1.20 -1.64 115.31 113.59 1j3k h LEU 564 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1j3k h LEU 564 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1j3k h LEU 564 CO -0.06 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.89 1j3k n ASN 565 N -2.73 2.69 -4.88 -0.43 3.02 -0.91 -4.24 115.26 107.79 1j3k n ASN 565 Ca -0.01 -1.93 -0.36 0.00 -0.03 0.00 0.00 54.58 52.26 1j3k n ASN 565 Cb 0.16 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1j3k n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3k s ARG 566 N -1.46 3.51 -0.18 3.52 0.52 -0.62 -4.66 118.95 119.59 1j3k s ARG 566 Ca 0.35 -0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 55.30 1j3k s ARG 566 Cb 0.19 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 1j3k s ARG 566 CO 0.26 0.72 0.38 0.42 0.02 0.00 0.00 175.30 177.11 1j3k s ILE 567 N -1.15 5.23 0.77 1.52 1.01 -1.26 -4.97 121.20 122.34 1j3k s ILE 567 Ca 0.21 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1j3k s ILE 567 Cb -0.13 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1j3k s ILE 567 CO 0.10 0.30 1.16 -2.65 0.00 0.00 0.00 174.94 173.86 1j3k n PRO 568 N 4.09 0.37 -4.14 2.79 -0.02 -1.26 -4.91 135.00 131.91 1j3k n PRO 568 Ca -0.09 0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 1j3k n PRO 568 Cb 0.51 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1j3k n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j3k s TYR 569 N -1.96 3.05 0.49 6.00 2.02 -1.26 -5.07 117.35 120.63 1j3k s TYR 569 Ca 0.74 -0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 57.08 1j3k s TYR 569 Cb -0.31 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.80 1j3k s TYR 569 CO 0.49 0.54 1.39 -0.35 -1.57 0.00 0.00 175.55 176.04 1j3k n PRO 570 N -1.12 1.97 -1.24 -1.71 -0.04 -1.26 -4.89 135.00 126.71 1j3k n PRO 570 Ca -0.08 0.71 -0.32 0.00 -0.04 0.00 0.00 63.50 63.78 1j3k n PRO 570 Cb 0.58 -2.59 0.10 0.00 -0.04 0.00 0.00 33.50 31.55 1j3k n PRO 570 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j3k s PHE 571 N -1.24 2.30 0.50 0.54 0.08 -1.26 -4.61 117.98 114.29 1j3k s PHE 571 Ca 0.66 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 59.25 1j3k s PHE 571 Cb -0.44 -3.19 0.11 0.00 -0.57 0.00 0.00 43.02 38.93 1j3k s PHE 571 CO 0.54 -2.11 0.68 -0.35 -0.10 0.00 0.00 175.22 173.88 1j3k n PRO 572 N -3.38 -0.51 -4.27 0.24 -0.04 -1.25 -4.82 135.00 120.96 1j3k n PRO 572 Ca 0.10 -1.18 -0.20 0.00 -0.04 0.00 0.00 63.50 62.19 1j3k n PRO 572 Cb 0.52 -0.66 -0.11 0.00 -0.04 0.00 0.00 33.50 33.21 1j3k n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3k s THR 573 N -2.36 1.50 -0.16 0.52 -4.23 -0.69 -1.72 115.64 108.50 1j3k s THR 573 Ca 0.39 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1j3k s THR 573 Cb -0.01 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1j3k s THR 573 CO 0.27 -0.35 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.71 1j3k s LEU 574 N -2.44 2.94 -0.09 4.79 2.96 -1.26 -0.57 118.68 125.02 1j3k s LEU 574 Ca 0.10 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1j3k s LEU 574 Cb -0.06 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1j3k s LEU 574 CO 0.04 0.12 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.44 1j3k s LYS 575 N 0.67 2.88 0.03 1.98 -0.14 0.69 -5.00 119.74 120.85 1j3k s LYS 575 Ca -0.04 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 1j3k s LYS 575 Cb -0.15 -2.33 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 1j3k s LYS 575 CO 0.02 0.31 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.30 1j3k s LEU 576 N 0.04 2.97 0.02 3.17 1.43 -1.26 -1.12 118.68 123.94 1j3k s LEU 576 Ca -0.08 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1j3k s LEU 576 Cb -0.15 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1j3k s LEU 576 CO 0.05 0.26 1.82 0.21 0.23 0.00 0.00 176.35 178.93 1j3k s ASN 577 N -1.55 6.53 0.48 2.29 2.47 -0.49 -4.86 114.94 119.82 1j3k s ASN 577 Ca 0.17 2.53 0.33 0.00 0.42 0.00 0.00 52.86 56.31 1j3k s ASN 577 Cb -0.11 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 38.71 1j3k s ASN 577 CO 0.08 -0.99 1.98 1.55 -3.72 0.00 0.00 177.10 176.00 1j3k h PRO 578 N 9.80 0.00 0.00 0.43 0.13 -1.97 -3.07 132.00 137.32 1j3k h PRO 578 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j3k h PRO 578 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j3k h PRO 578 CO 0.94 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.27 1j3k h ASP 579 N 0.00 0.00 -3.15 1.44 3.32 -2.01 -3.43 116.42 112.58 1j3k h ASP 579 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1j3k h ASP 579 Cb 0.24 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1j3k h ASP 579 CO 0.00 0.00 1.01 -0.63 -1.72 0.00 0.00 179.24 177.90 1j3k s ILE 580 N -3.27 4.03 -1.35 0.35 -1.09 -1.16 -4.86 121.20 113.84 1j3k s ILE 580 Ca 0.07 1.14 0.13 0.00 -2.23 0.00 0.00 60.65 59.75 1j3k s ILE 580 Cb 0.09 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1j3k s ILE 580 CO 0.56 -0.54 0.80 0.29 -1.23 0.00 0.00 174.94 174.82 1j3k n LYS 581 N 7.57 1.45 -4.63 2.79 4.76 -1.26 -4.62 118.16 124.22 1j3k n LYS 581 Ca 0.16 -0.94 -0.23 0.00 -2.87 0.00 0.00 58.31 54.42 1j3k n LYS 581 Cb 0.47 -1.20 -0.16 0.00 -1.84 0.00 0.00 35.03 32.31 1j3k n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1j3k s ASN 582 N -1.36 1.70 0.45 4.39 0.01 -1.26 -4.70 114.94 114.17 1j3k s ASN 582 Ca 0.12 -0.27 0.25 0.00 -0.71 0.00 0.00 52.86 52.26 1j3k s ASN 582 Cb 0.10 -0.42 1.28 0.00 0.41 0.00 0.00 41.25 42.62 1j3k s ASN 582 CO 0.25 0.12 1.78 -0.29 -1.51 0.00 0.00 177.10 177.45 1j3k h ILE 583 N 5.24 0.48 -0.00 0.60 6.09 -1.92 -1.16 117.51 126.84 1j3k h ILE 583 Ca -0.33 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 1j3k h ILE 583 Cb 1.17 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.68 1j3k h ILE 583 CO 0.48 0.04 -0.09 -0.62 -3.07 0.00 0.00 178.15 174.90 1j3k n GLU 584 N -4.47 0.32 0.00 2.19 1.02 -1.26 -4.11 120.64 114.33 1j3k n GLU 584 Ca 0.25 -0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1j3k n GLU 584 Cb 1.02 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 31.44 1j3k n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3k n ASP 585 N -1.29 1.46 -4.79 1.62 8.00 -0.44 -4.95 116.55 116.16 1j3k n ASP 585 Ca 0.11 -1.43 -0.34 0.00 0.71 0.00 0.00 54.79 53.84 1j3k n ASP 585 Cb 0.29 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1j3k n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3k s PHE 586 N -2.06 2.90 0.10 1.24 0.08 -1.26 -5.03 117.98 113.96 1j3k s PHE 586 Ca 0.36 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.95 1j3k s PHE 586 Cb 0.21 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 1j3k s PHE 586 CO 0.36 -1.12 0.02 0.95 -0.10 0.00 0.00 175.22 175.33 1j3k s THR 587 N -2.08 0.15 0.46 0.64 -4.23 -1.26 -5.05 115.64 104.27 1j3k s THR 587 Ca 0.67 -1.88 0.21 0.00 -1.18 0.00 0.00 61.69 59.52 1j3k s THR 587 Cb -0.18 -1.86 0.40 0.00 1.34 0.00 0.00 72.50 72.19 1j3k s THR 587 CO 0.27 -0.65 1.90 -0.29 -0.54 0.00 0.00 174.62 175.31 1j3k h ILE 588 N 2.97 0.69 0.00 2.99 6.09 -1.97 -1.20 117.51 127.08 1j3k h ILE 588 Ca -0.35 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1j3k h ILE 588 Cb 1.18 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.86 1j3k h ILE 588 CO 0.62 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 174.21 1j3k n SER 589 N -4.44 0.00 -0.29 2.19 3.41 -1.26 -3.01 113.62 110.22 1j3k n SER 589 Ca 0.17 0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1j3k n SER 589 Cb 0.69 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.75 1j3k n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3k n ASP 590 N -1.33 0.88 -4.24 4.04 8.00 -0.45 -4.83 116.55 118.61 1j3k n ASP 590 Ca 0.10 -1.58 -0.31 0.00 0.71 0.00 0.00 54.79 53.71 1j3k n ASP 590 Cb 0.21 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.08 1j3k n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3k s PHE 591 N -1.89 2.34 -0.02 1.24 0.40 -1.16 -1.39 117.98 117.50 1j3k s PHE 591 Ca 0.30 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1j3k s PHE 591 Cb 0.15 -1.55 0.03 0.00 0.51 0.00 0.00 43.02 42.16 1j3k s PHE 591 CO 0.23 -0.24 0.02 0.99 0.70 0.00 0.00 175.22 176.92 1j3k s THR 592 N -0.04 0.00 -0.22 0.64 2.01 -0.28 -5.01 115.64 112.74 1j3k s THR 592 Ca -0.06 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1j3k s THR 592 Cb -0.14 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1j3k s THR 592 CO 0.04 0.09 0.09 -0.63 -0.69 0.00 0.00 174.62 173.53 1j3k s ILE 593 N 0.92 4.79 0.01 1.82 -1.09 -1.26 -0.22 121.20 126.16 1j3k s ILE 593 Ca -0.08 -0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 1j3k s ILE 593 Cb -0.11 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 1j3k s ILE 593 CO -0.02 0.39 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.85 1j3k s GLN 594 N 0.98 2.38 -1.42 2.79 -0.21 0.26 -4.75 119.66 119.69 1j3k s GLN 594 Ca 0.05 -0.81 -0.10 0.00 0.02 0.00 0.00 55.36 54.52 1j3k s GLN 594 Cb -0.14 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.54 1j3k s GLN 594 CO 0.03 0.58 1.10 0.09 -2.12 0.00 0.00 175.29 174.97 1j3k n ASN 595 N 1.70 -5.56 -4.62 5.90 3.02 -1.26 -1.70 115.26 112.75 1j3k n ASN 595 Ca -0.16 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.32 1j3k n ASN 595 Cb 0.52 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 35.08 1j3k n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3k s TYR 596 N -3.32 2.94 -0.14 3.10 5.04 -1.26 -4.25 117.35 119.45 1j3k s TYR 596 Ca 0.58 0.94 -0.02 0.00 -2.44 0.00 0.00 57.07 56.14 1j3k s TYR 596 Cb -0.27 -4.06 -0.02 0.00 0.35 0.00 0.00 41.96 37.95 1j3k s TYR 596 CO 0.77 -1.10 -0.08 0.08 -1.34 0.00 0.00 175.55 173.88 1j3k s VAL 597 N 4.12 3.52 0.13 3.14 1.01 -1.26 -5.05 120.40 126.02 1j3k s VAL 597 Ca 0.48 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1j3k s VAL 597 Cb -0.10 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1j3k s VAL 597 CO 0.24 0.51 0.39 -1.38 0.00 0.00 0.00 175.10 174.86 1j3k s HIS 598 N 0.32 -0.12 0.82 5.22 -3.43 -1.26 -4.74 115.29 112.10 1j3k s HIS 598 Ca -0.07 -0.22 -0.12 0.00 -0.80 0.00 0.00 55.06 53.85 1j3k s HIS 598 Cb -0.15 0.23 0.09 0.00 -1.43 0.00 0.00 32.58 31.32 1j3k s HIS 598 CO 0.04 -0.72 1.15 -1.01 -2.00 0.00 0.00 174.74 172.20 1j3k s HIS 599 N -3.83 2.87 0.59 0.38 3.76 -0.13 -4.95 115.29 113.97 1j3k s HIS 599 Ca 0.05 0.85 -0.19 0.00 -0.15 0.00 0.00 55.06 55.62 1j3k s HIS 599 Cb 0.02 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 1j3k s HIS 599 CO -0.10 -1.87 1.14 -1.91 -0.85 0.00 0.00 174.74 171.15 1j3k n GLU 600 N -3.41 1.14 -1.75 1.40 2.13 -1.26 -3.04 120.64 115.85 1j3k n GLU 600 Ca 0.07 0.44 -0.40 0.00 0.66 0.00 0.00 57.16 57.93 1j3k n GLU 600 Cb 0.60 -2.34 0.01 0.00 0.27 0.00 0.00 31.44 29.98 1j3k n GLU 600 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1j3k n LYS 601 N -1.19 2.24 -4.76 5.31 4.81 -1.26 -3.66 118.16 119.64 1j3k n LYS 601 Ca 0.13 0.79 -0.25 0.00 -0.87 0.00 0.00 58.31 58.11 1j3k n LYS 601 Cb 0.46 -2.57 -0.15 0.00 0.02 0.00 0.00 35.03 32.80 1j3k n LYS 601 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1j3k s ILE 602 N -1.18 1.57 -0.47 3.15 1.01 -1.26 -4.87 121.20 119.15 1j3k s ILE 602 Ca 0.60 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 1j3k s ILE 602 Cb -0.47 -1.34 0.08 0.00 0.01 0.00 0.00 42.46 40.74 1j3k s ILE 602 CO 0.59 0.30 0.37 -0.44 0.00 0.00 0.00 174.94 175.76 1j3k s SER 603 N -0.84 6.04 0.26 3.58 0.01 -1.26 -4.96 113.70 116.53 1j3k s SER 603 Ca 0.07 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 55.92 1j3k s SER 603 Cb -0.08 -2.14 0.50 0.00 0.21 0.00 0.00 66.02 64.51 1j3k s SER 603 CO 0.01 -0.64 1.80 0.24 0.41 0.00 0.00 173.24 175.06 1j3k h MET 604 N 8.69 0.79 -6.71 12.44 0.00 -1.94 -3.43 114.93 124.77 1j3k h MET 604 Ca -0.27 -0.05 -0.53 0.00 0.00 0.00 0.00 59.70 58.85 1j3k h MET 604 Cb 1.10 -0.18 0.06 0.00 0.00 0.00 0.00 31.60 32.58 1j3k h MET 604 CO 0.87 0.52 0.84 0.34 0.00 0.00 0.00 176.91 179.48 1j3k s ASP 605 N -5.58 6.55 0.23 1.22 -1.08 -1.26 -4.26 116.67 112.49 1j3k s ASP 605 Ca -0.12 2.73 -0.06 0.00 -0.52 0.00 0.00 52.55 54.58 1j3k s ASP 605 Cb 0.21 -2.62 0.22 0.00 -1.46 0.00 0.00 42.92 39.28 1j3k s ASP 605 CO 0.79 -0.80 1.78 -0.03 0.52 0.00 0.00 175.17 177.43 1j3k h MET 606 N 5.63 1.09 0.06 4.34 1.85 -1.47 -2.64 114.93 123.80 1j3k h MET 606 Ca -0.45 -0.21 -0.24 0.00 -0.61 0.00 0.00 59.70 58.19 1j3k h MET 606 Cb 1.21 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1j3k h MET 606 CO 0.83 0.91 -1.09 0.00 -0.40 0.00 0.00 176.91 177.17 1j3k h ALA 607 N 1.21 0.26 0.00 0.39 0.00 -1.90 -3.53 119.26 115.69 1j3k h ALA 607 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1j3k h ALA 607 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j3k h ALA 607 CO -0.01 1.02 0.00 0.00 0.00 0.00 0.00 179.25 180.26