#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3j n ASP 284 N 0.00 0.55 -0.22 1.67 8.00 -1.26 -3.99 116.55 121.30 1j3j n ASP 284 Ca 0.00 0.10 -0.07 0.00 0.71 0.00 0.00 54.79 55.53 1j3j n ASP 284 Cb 0.00 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1j3j n ASP 284 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1j3j h GLU 285 N 0.00 -0.05 0.00 -1.24 4.57 -2.07 0.41 114.58 116.21 1j3j h GLU 285 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j3j h GLU 285 Cb 0.63 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1j3j h GLU 285 CO 0.00 -0.03 0.00 0.39 -1.18 0.00 0.00 179.01 178.19 1j3j n GLU 286 N -4.35 0.58 -0.02 1.92 4.71 -1.26 -3.74 120.64 118.49 1j3j n GLU 286 Ca 0.01 0.02 -0.16 0.00 -0.01 0.00 0.00 57.16 57.02 1j3j n GLU 286 Cb 0.17 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.00 1j3j n GLU 286 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1j3j h GLU 287 N 0.00 0.41 -0.06 3.49 4.81 -0.34 -3.16 114.58 119.73 1j3j h GLU 287 Ca 0.00 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1j3j h GLU 287 Cb 0.13 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1j3j h GLU 287 CO 0.00 1.01 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.66 1j3j h ASP 288 N -0.07 0.09 -0.22 1.04 3.32 -1.59 -1.39 116.42 117.60 1j3j h ASP 288 Ca -0.04 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1j3j h ASP 288 Cb 1.11 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1j3j h ASP 288 CO 0.09 0.29 0.17 0.44 -1.72 0.00 0.00 179.24 178.51 1j3j h ASP 289 N 0.09 0.00 -0.37 6.45 3.32 -1.71 -0.42 116.42 123.79 1j3j h ASP 289 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1j3j h ASP 289 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1j3j h ASP 289 CO 0.03 0.00 0.13 0.15 -1.72 0.00 0.00 179.24 177.83 1j3j h PHE 290 N 0.00 0.57 -0.88 4.55 3.57 -1.28 -2.31 116.94 121.16 1j3j h PHE 290 Ca 0.10 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1j3j h PHE 290 Cb 0.44 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1j3j h PHE 290 CO 0.00 0.53 0.52 0.28 -2.23 0.00 0.00 178.31 177.41 1j3j h VAL 291 N 0.44 1.24 -0.58 1.41 2.07 -1.16 -2.81 116.25 116.87 1j3j h VAL 291 Ca 0.12 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1j3j h VAL 291 Cb 0.22 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1j3j h VAL 291 CO -0.01 0.26 0.16 1.88 0.02 0.00 0.00 177.57 179.88 1j3j h TYR 292 N 1.21 0.95 0.00 1.57 0.05 -1.10 -2.37 116.97 117.28 1j3j h TYR 292 Ca 0.31 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1j3j h TYR 292 Cb -0.03 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.44 1j3j h TYR 292 CO 0.01 0.80 0.00 1.19 -1.05 0.00 0.00 178.16 179.11 1j3j n PHE 293 N -4.40 0.69 -0.55 4.88 3.01 -0.90 -1.47 117.46 118.71 1j3j n PHE 293 Ca 0.03 0.29 0.09 0.00 1.01 0.00 0.00 57.45 58.86 1j3j n PHE 293 Cb 0.22 -0.97 0.30 0.00 -0.01 0.00 0.00 39.48 39.02 1j3j n PHE 293 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1j3j n ASN 294 N -2.14 4.16 0.03 4.37 3.02 -0.91 -4.61 115.26 119.18 1j3j n ASN 294 Ca 0.01 -2.38 0.18 0.00 -0.03 0.00 0.00 54.58 52.37 1j3j n ASN 294 Cb 0.18 -0.49 0.68 0.00 -0.61 0.00 0.00 39.78 39.53 1j3j n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3j h PHE 295 N 3.34 0.02 -0.76 3.10 -0.00 -1.09 -1.77 116.94 119.78 1j3j h PHE 295 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.73 1j3j h PHE 295 Cb 1.24 -0.01 -0.14 0.00 -0.00 0.00 0.00 35.95 37.05 1j3j h PHE 295 CO 0.58 0.01 0.29 -1.71 -0.00 0.00 0.00 178.31 177.49 1j3j n ASN 296 N -4.40 4.76 -4.88 -0.68 5.15 -1.26 -4.97 115.26 108.98 1j3j n ASN 296 Ca 0.08 -3.26 -0.35 0.00 -0.60 0.00 0.00 54.58 50.45 1j3j n ASN 296 Cb 0.53 -0.75 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 1j3j n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j3j s LYS 297 N -3.02 3.65 0.04 1.20 1.02 -0.67 -5.01 119.74 116.95 1j3j s LYS 297 Ca 0.55 0.03 -0.34 0.00 0.02 0.00 0.00 55.97 56.23 1j3j s LYS 297 Cb 0.44 -3.06 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 1j3j s LYS 297 CO 0.13 0.62 1.70 0.39 -0.92 0.00 0.00 175.35 177.28 1j3j n GLU 298 N 1.09 2.12 -0.30 1.68 -0.58 -1.26 -4.90 120.64 118.49 1j3j n GLU 298 Ca -0.10 0.77 -0.01 0.00 -0.42 0.00 0.00 57.16 57.39 1j3j n GLU 298 Cb 0.53 -2.57 0.16 0.00 -0.57 0.00 0.00 31.44 28.99 1j3j n GLU 298 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1j3j h LYS 299 N 7.31 1.16 -5.35 3.49 3.11 -1.98 -3.44 116.57 120.87 1j3j h LYS 299 Ca -0.47 -0.09 -0.40 0.00 -2.81 0.00 0.00 60.65 56.89 1j3j h LYS 299 Cb 1.27 -0.25 -0.15 0.00 -1.00 0.00 0.00 32.23 32.09 1j3j h LYS 299 CO 0.91 0.80 -0.73 -1.21 -2.81 0.00 0.00 179.45 176.40 1j3j s GLU 300 N -5.92 1.16 0.38 1.90 8.01 -1.26 -5.12 118.70 117.84 1j3j s GLU 300 Ca -0.12 -1.45 -0.26 0.00 0.01 0.00 0.00 54.97 53.14 1j3j s GLU 300 Cb 0.18 -0.89 -0.09 0.00 -4.31 0.00 0.00 34.13 29.02 1j3j s GLU 300 CO 0.81 0.14 1.21 -1.21 0.01 0.00 0.00 175.26 176.21 1j3j s GLU 301 N -3.44 4.15 0.15 1.61 2.02 -1.26 -4.97 118.70 116.96 1j3j s GLU 301 Ca 0.17 1.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.80 1j3j s GLU 301 Cb -0.01 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.36 1j3j s GLU 301 CO 0.04 -0.27 1.55 -0.22 0.02 0.00 0.00 175.26 176.37 1j3j h LYS 302 N 2.89 -0.17 -0.35 1.61 3.64 -1.90 -2.99 116.57 119.31 1j3j h LYS 302 Ca -0.49 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1j3j h LYS 302 Cb 1.23 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1j3j h LYS 302 CO 0.63 -0.11 -0.00 0.09 -2.27 0.00 0.00 179.45 177.79 1j3j n ASN 303 N -5.33 3.12 -0.15 4.20 3.02 -1.07 -4.53 115.26 114.53 1j3j n ASN 303 Ca 0.00 -3.45 0.09 0.00 -0.03 0.00 0.00 54.58 51.20 1j3j n ASN 303 Cb 0.31 -0.61 0.42 0.00 -0.61 0.00 0.00 39.78 39.29 1j3j n ASN 303 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1j3j h LYS 304 N 1.31 0.58 -0.88 3.52 3.64 -1.71 0.42 116.57 123.45 1j3j h LYS 304 Ca 0.15 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1j3j h LYS 304 Cb 1.63 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.26 1j3j h LYS 304 CO 0.36 0.38 0.57 -0.91 -2.27 0.00 0.00 179.45 177.58 1j3j h ASN 305 N 0.60 0.76 0.53 4.20 2.35 -1.80 0.47 115.58 122.69 1j3j h ASN 305 Ca 0.31 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1j3j h ASN 305 Cb 0.43 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1j3j h ASN 305 CO -0.10 0.43 -1.53 -1.54 -1.65 0.00 0.00 177.43 173.05 1j3j n SER 306 N -4.54 0.52 0.01 5.81 3.41 0.11 -4.46 113.62 114.48 1j3j n SER 306 Ca 0.15 0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.76 1j3j n SER 306 Cb 0.34 0.91 -0.14 0.00 -0.26 0.00 0.00 64.21 65.06 1j3j n SER 306 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1j3j n ILE 307 N -2.60 1.79 -2.66 -1.33 2.08 0.10 -5.09 119.36 111.65 1j3j n ILE 307 Ca -0.06 -0.66 -0.02 0.00 0.56 0.00 0.00 62.75 62.57 1j3j n ILE 307 Cb 0.68 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 1j3j n ILE 307 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1j3j n HIS 308 N -3.48 -4.15 -0.44 1.39 8.25 0.16 -4.87 115.22 112.08 1j3j n HIS 308 Ca -0.31 2.04 0.39 0.00 -0.26 0.00 0.00 57.72 59.58 1j3j n HIS 308 Cb 1.05 -3.98 0.74 0.00 1.12 0.00 0.00 29.99 28.92 1j3j n HIS 308 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1j3j h PRO 309 N 3.36 0.05 -0.13 -0.41 0.11 -1.93 -1.80 132.00 131.25 1j3j h PRO 309 Ca -0.19 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.96 1j3j h PRO 309 Cb 0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1j3j h PRO 309 CO 0.07 0.03 0.10 -0.91 -0.21 0.00 0.00 178.00 177.08 1j3j h ASN 310 N 0.05 0.00 0.10 -2.05 2.35 -2.00 -1.94 115.58 112.08 1j3j h ASN 310 Ca 0.70 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.47 1j3j h ASN 310 Cb 2.64 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.97 1j3j h ASN 310 CO -0.09 0.00 -0.36 0.44 -1.65 0.00 0.00 177.43 175.77 1j3j h ASP 311 N 0.00 -1.06 -1.88 5.81 3.32 -1.66 -2.93 116.42 118.02 1j3j h ASP 311 Ca 0.06 0.12 -0.77 0.00 0.02 0.00 0.00 57.03 56.46 1j3j h ASP 311 Cb 0.26 0.40 -0.19 0.00 0.22 0.00 0.00 39.33 40.02 1j3j h ASP 311 CO -0.00 -0.44 1.62 0.49 -1.72 0.00 0.00 179.24 179.19 1j3j n PHE 312 N -5.44 2.82 1.00 4.55 3.72 -0.73 -4.71 117.46 118.67 1j3j n PHE 312 Ca -0.07 -2.75 0.11 0.00 -0.05 0.00 0.00 57.45 54.69 1j3j n PHE 312 Cb 0.35 -1.75 0.08 0.00 -0.94 0.00 0.00 39.48 37.23 1j3j n PHE 312 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1j3j n GLN 313 N 3.14 0.03 -0.10 -1.08 7.27 -1.11 -3.02 117.38 122.51 1j3j n GLN 313 Ca 0.35 -0.02 -0.15 0.00 0.07 0.00 0.00 57.00 57.26 1j3j n GLN 313 Cb 0.36 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.37 1j3j n GLN 313 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1j3j n ILE 314 N -1.47 1.49 -0.22 1.69 5.41 -1.26 -3.32 119.36 121.69 1j3j n ILE 314 Ca 0.05 -0.70 -0.04 0.00 1.00 0.00 0.00 62.75 63.06 1j3j n ILE 314 Cb 0.33 -1.06 0.13 0.00 -0.71 0.00 0.00 39.64 38.33 1j3j n ILE 314 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1j3j h TYR 315 N 0.01 1.05 -0.00 1.39 3.20 -1.75 -2.02 116.97 118.84 1j3j h TYR 315 Ca -0.54 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1j3j h TYR 315 Cb 2.05 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1j3j h TYR 315 CO 0.02 0.82 -0.29 0.09 -1.64 0.00 0.00 178.16 177.16 1j3j n ASN 316 N -4.28 0.36 0.04 -2.11 3.02 -1.17 -3.48 115.26 107.64 1j3j n ASN 316 Ca 0.06 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 1j3j n ASN 316 Cb 0.20 -0.03 0.30 0.00 -0.61 0.00 0.00 39.78 39.65 1j3j n ASN 316 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j3j n SER 317 N -1.41 0.54 -4.71 6.41 3.41 -0.78 -4.83 113.62 112.25 1j3j n SER 317 Ca 0.07 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.40 1j3j n SER 317 Cb 0.33 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1j3j n SER 317 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1j3j s LEU 318 N -3.70 4.40 -0.15 1.04 1.43 -1.10 -4.95 118.68 115.65 1j3j s LEU 318 Ca 0.10 1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 54.71 1j3j s LEU 318 Cb 0.15 -3.58 -0.18 0.00 0.03 0.00 0.00 46.19 42.62 1j3j s LEU 318 CO 0.67 -0.24 0.45 0.50 0.23 0.00 0.00 176.35 177.96 1j3j h LYS 319 N 6.52 0.00 -4.97 1.70 1.63 -1.91 -3.45 116.57 116.09 1j3j h LYS 319 Ca -0.41 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.72 1j3j h LYS 319 Cb 1.22 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.51 1j3j h LYS 319 CO 0.75 0.75 -0.80 0.71 -3.45 0.00 0.00 179.45 177.41 1j3j s TYR 320 N -2.13 2.98 -0.61 1.91 2.02 -1.26 -5.04 117.35 115.22 1j3j s TYR 320 Ca -0.17 -1.69 0.04 0.00 -0.37 0.00 0.00 57.07 54.88 1j3j s TYR 320 Cb -0.00 -1.98 0.15 0.00 -0.40 0.00 0.00 41.96 39.72 1j3j s TYR 320 CO 0.51 -0.77 0.37 0.15 -1.57 0.00 0.00 175.55 174.24 1j3j s LYS 321 N 1.28 2.24 0.00 -0.62 1.02 -1.26 -4.86 119.74 117.53 1j3j s LYS 321 Ca 0.01 -2.92 0.20 0.00 0.02 0.00 0.00 55.97 53.28 1j3j s LYS 321 Cb -0.16 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1j3j s LYS 321 CO -0.08 -1.18 1.01 0.66 -0.92 0.00 0.00 175.35 174.84 1j3j n TYR 322 N 2.67 0.00 -1.98 3.18 4.01 -1.26 -4.91 117.16 118.87 1j3j n TYR 322 Ca 0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 1j3j n TYR 322 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 1j3j n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3j s HIS 323 N -2.17 2.97 0.50 -0.72 2.46 -1.26 -4.89 115.29 112.18 1j3j s HIS 323 Ca 0.17 1.04 0.21 0.00 0.47 0.00 0.00 55.06 56.96 1j3j s HIS 323 Cb 0.16 -3.85 1.28 0.00 -0.13 0.00 0.00 32.58 30.05 1j3j s HIS 323 CO 0.47 -2.72 2.00 -1.35 -2.47 0.00 0.00 174.74 170.68 1j3j h PRO 324 N 4.75 0.11 -0.11 2.88 0.11 -1.97 -1.30 132.00 136.47 1j3j h PRO 324 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1j3j h PRO 324 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j3j h PRO 324 CO 0.76 0.07 0.25 1.49 -0.21 0.00 0.00 178.00 180.36 1j3j h GLU 325 N 0.11 0.00 0.00 1.05 4.81 -1.97 0.30 114.58 118.88 1j3j h GLU 325 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1j3j h GLU 325 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1j3j h GLU 325 CO -0.03 0.00 0.00 1.88 -0.73 0.00 0.00 179.01 180.13 1j3j h TYR 326 N 0.00 0.00 -0.61 0.92 0.05 -1.58 -1.31 116.97 114.44 1j3j h TYR 326 Ca 0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 1j3j h TYR 326 Cb 0.55 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1j3j h TYR 326 CO 0.00 0.00 0.15 1.96 -1.05 0.00 0.00 178.16 179.22 1j3j h GLN 327 N 0.00 0.96 0.06 4.88 4.20 -0.58 0.53 115.11 125.15 1j3j h GLN 327 Ca 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1j3j h GLN 327 Cb 0.41 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1j3j h GLN 327 CO 0.00 0.85 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.06 1j3j h TYR 328 N 0.91 -0.07 -1.00 2.96 3.20 -1.47 -3.21 116.97 118.30 1j3j h TYR 328 Ca 0.20 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1j3j h TYR 328 Cb 0.33 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 1j3j h TYR 328 CO 0.02 0.52 0.64 -0.07 -1.64 0.00 0.00 178.16 177.63 1j3j h LEU 329 N -0.89 0.99 -1.48 2.82 3.38 -1.13 -1.42 115.31 117.59 1j3j h LEU 329 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1j3j h LEU 329 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1j3j h LEU 329 CO 0.01 0.60 -0.17 0.78 0.09 0.00 0.00 178.44 179.76 1j3j h ASN 330 N 1.11 0.12 0.31 -0.43 2.35 -0.06 -1.09 115.58 117.89 1j3j h ASN 330 Ca 0.45 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.99 1j3j h ASN 330 Cb 0.27 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1j3j h ASN 330 CO -0.20 0.31 -0.76 0.40 -1.65 0.00 0.00 177.43 175.52 1j3j h ILE 331 N 0.12 1.39 -0.38 2.81 2.04 -1.28 0.38 117.51 122.60 1j3j h ILE 331 Ca 0.02 -2.21 -0.04 0.00 1.00 0.00 0.00 64.86 63.63 1j3j h ILE 331 Cb 0.38 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1j3j h ILE 331 CO 0.02 0.66 0.06 0.40 0.00 0.00 0.00 178.15 179.30 1j3j h ILE 332 N 0.25 1.24 -0.47 -0.67 1.08 -0.84 -0.19 117.51 117.91 1j3j h ILE 332 Ca -0.04 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1j3j h ILE 332 Cb 1.34 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.13 1j3j h ILE 332 CO 0.13 0.29 0.24 0.22 -0.69 0.00 0.00 178.15 178.34 1j3j h TYR 333 N 0.48 0.66 -0.54 1.37 3.20 -1.11 -0.72 116.97 120.31 1j3j h TYR 333 Ca 0.12 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1j3j h TYR 333 Cb 0.36 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1j3j h TYR 333 CO 0.02 0.51 0.27 0.22 -1.64 0.00 0.00 178.16 177.54 1j3j h ASP 334 N 0.62 0.69 -0.33 -2.11 3.58 -0.62 -1.11 116.42 117.14 1j3j h ASP 334 Ca 0.16 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 1j3j h ASP 334 Cb 0.08 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1j3j h ASP 334 CO -0.02 0.61 -0.13 0.40 -2.88 0.00 0.00 179.24 177.22 1j3j h ILE 335 N 0.72 1.29 -0.57 2.25 2.04 -0.84 0.85 117.51 123.24 1j3j h ILE 335 Ca 0.19 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1j3j h ILE 335 Cb 0.10 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1j3j h ILE 335 CO -0.03 0.40 0.34 0.24 0.00 0.00 0.00 178.15 179.10 1j3j h MET 336 N 0.45 0.64 0.00 2.37 2.86 -0.93 0.83 114.93 121.15 1j3j h MET 336 Ca 0.08 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1j3j h MET 336 Cb 0.66 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1j3j h MET 336 CO 0.04 0.42 -0.91 0.52 1.06 0.00 0.00 176.91 178.05 1j3j h MET 337 N 0.66 0.00 0.00 1.72 2.86 -1.13 -3.39 114.93 115.65 1j3j h MET 337 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1j3j h MET 337 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1j3j h MET 337 CO -0.11 0.91 0.00 0.09 1.06 0.00 0.00 176.91 178.85 1j3j n ASN 338 N -3.44 0.93 -4.73 1.22 3.02 0.28 -2.60 115.26 109.95 1j3j n ASN 338 Ca -0.00 -1.36 -0.34 0.00 -0.03 0.00 0.00 54.58 52.86 1j3j n ASN 338 Cb 0.87 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 40.13 1j3j n ASN 338 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1j3j s GLY 339 N -0.36 2.26 -0.12 7.41 0.00 0.29 -4.97 107.32 111.83 1j3j s GLY 339 Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 44.72 45.34 1j3j s GLY 339 CO 0.00 1.19 0.45 -1.31 0.00 0.00 0.00 173.10 173.43 1j3j s ASN 340 N -2.20 6.66 0.04 1.64 0.01 -0.19 -4.73 114.94 116.18 1j3j s ASN 340 Ca 0.72 0.78 -0.31 0.00 -0.71 0.00 0.00 52.86 53.35 1j3j s ASN 340 Cb -0.27 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 1j3j s ASN 340 CO 0.46 0.03 1.27 -0.54 -1.51 0.00 0.00 177.10 176.81 1j3j s LYS 341 N 0.51 4.38 0.02 -0.60 1.02 -1.26 -1.60 119.74 122.20 1j3j s LYS 341 Ca 0.24 1.84 -0.05 0.00 0.02 0.00 0.00 55.97 58.03 1j3j s LYS 341 Cb -0.15 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1j3j s LYS 341 CO 0.10 -0.37 0.08 -0.65 -0.92 0.00 0.00 175.35 173.58 1j3j s GLN 342 N 1.46 0.50 -0.18 1.68 -0.21 -0.69 -4.99 119.66 117.22 1j3j s GLN 342 Ca 0.60 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 55.36 1j3j s GLN 342 Cb -0.30 0.19 0.03 0.00 1.00 0.00 0.00 33.01 33.93 1j3j s GLN 342 CO 0.28 -0.11 -0.15 -1.12 -2.12 0.00 0.00 175.29 172.06 1j3j s SER 343 N -1.78 3.15 1.06 5.90 0.01 -1.26 -1.62 113.70 119.16 1j3j s SER 343 Ca -0.10 -0.71 -0.13 0.00 1.31 0.00 0.00 55.95 56.32 1j3j s SER 343 Cb -0.05 -1.33 0.19 0.00 0.21 0.00 0.00 66.02 65.05 1j3j s SER 343 CO -0.02 -0.07 0.86 0.47 0.41 0.00 0.00 173.24 174.89 1j3j n ASP 344 N 4.67 -1.18 -0.08 2.44 8.00 -0.71 -4.77 116.55 124.91 1j3j n ASP 344 Ca -0.18 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1j3j n ASP 344 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1j3j n ASP 344 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j3j n ARG 345 N -3.99 0.66 0.02 -1.24 1.74 -1.26 -2.37 116.66 110.23 1j3j n ARG 345 Ca 0.06 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1j3j n ARG 345 Cb 0.54 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.82 1j3j n ARG 345 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1j3j n THR 346 N -0.39 0.18 0.00 0.55 -1.04 -1.26 -4.95 114.28 107.37 1j3j n THR 346 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1j3j n THR 346 Cb 0.03 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1j3j n THR 346 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j3j n GLY 347 N 1.25 0.24 3.84 3.41 0.00 -1.00 -5.06 105.19 107.88 1j3j n GLY 347 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1j3j n GLY 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3j s VAL 348 N -2.00 4.50 0.11 1.61 1.01 -1.26 -4.89 120.40 119.47 1j3j s VAL 348 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 61.98 63.26 1j3j s VAL 348 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1j3j s VAL 348 CO 0.00 -0.71 -0.26 -0.83 0.00 0.00 0.00 175.10 173.30 1j3j s GLY 349 N -3.12 1.50 0.18 4.51 0.00 -1.26 -1.75 107.32 107.38 1j3j s GLY 349 Ca 0.59 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.84 1j3j s GLY 349 CO 0.33 -1.35 0.25 -1.34 0.00 0.00 0.00 173.10 170.99 1j3j s VAL 350 N -1.00 0.05 -0.13 1.40 -7.23 -0.64 -1.32 120.40 111.53 1j3j s VAL 350 Ca 0.13 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1j3j s VAL 350 Cb -0.10 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1j3j s VAL 350 CO 0.05 -0.24 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.68 1j3j s LEU 351 N -3.01 2.51 0.09 1.32 1.43 0.04 -1.70 118.68 119.35 1j3j s LEU 351 Ca 0.22 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1j3j s LEU 351 Cb 0.04 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1j3j s LEU 351 CO 0.03 0.14 -0.08 -0.94 0.23 0.00 0.00 176.35 175.74 1j3j s SER 352 N 0.47 1.19 0.15 2.29 1.04 -0.63 -0.56 113.70 117.65 1j3j s SER 352 Ca -0.11 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.44 1j3j s SER 352 Cb -0.16 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1j3j s SER 352 CO 0.05 -0.35 0.10 -0.54 0.98 0.00 0.00 173.24 173.48 1j3j s LYS 353 N -3.04 1.02 -0.16 4.02 -0.14 -0.40 -1.02 119.74 120.02 1j3j s LYS 353 Ca 0.05 -1.45 -0.00 0.00 -1.36 0.00 0.00 55.97 53.21 1j3j s LYS 353 Cb -0.00 0.26 0.03 0.00 -1.68 0.00 0.00 37.83 36.44 1j3j s LYS 353 CO -0.02 -0.31 -0.09 0.12 -0.76 0.00 0.00 175.35 174.29 1j3j s PHE 354 N -4.07 1.92 0.00 3.18 5.36 -1.26 -1.75 117.98 121.36 1j3j s PHE 354 Ca 0.27 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.08 1j3j s PHE 354 Cb 0.07 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.32 1j3j s PHE 354 CO 0.04 -0.64 0.00 0.41 -1.46 0.00 0.00 175.22 173.57 1j3j n GLY 355 N 4.82 -1.37 3.14 13.12 0.00 -0.40 -5.03 105.19 119.47 1j3j n GLY 355 Ca -0.14 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1j3j n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3j s TYR 356 N 0.00 0.77 -0.12 1.61 2.02 -0.66 -4.98 117.35 115.99 1j3j s TYR 356 Ca 0.00 -1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 55.47 1j3j s TYR 356 Cb 0.00 -0.46 0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1j3j s TYR 356 CO 0.00 -0.45 0.29 -1.50 -1.57 0.00 0.00 175.55 172.31 1j3j s ILE 357 N -3.98 -0.07 0.09 2.71 2.07 -1.26 -1.00 121.20 119.76 1j3j s ILE 357 Ca 0.18 0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.66 1j3j s ILE 357 Cb 0.08 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 1j3j s ILE 357 CO -0.02 0.06 -0.25 -0.04 -1.91 0.00 0.00 174.94 172.78 1j3j s MET 358 N 1.38 1.42 -0.03 3.50 -1.94 0.33 -4.98 119.30 118.98 1j3j s MET 358 Ca -0.09 -1.20 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 1j3j s MET 358 Cb -0.10 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 35.00 1j3j s MET 358 CO -0.10 0.43 -0.05 0.15 -0.01 0.00 0.00 175.02 175.44 1j3j s LYS 359 N -1.74 0.77 -0.07 2.03 1.02 -1.26 -0.33 119.74 120.16 1j3j s LYS 359 Ca 0.11 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.97 1j3j s LYS 359 Cb -0.10 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1j3j s LYS 359 CO 0.04 -0.00 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.24 1j3j s PHE 360 N 0.57 1.83 -0.97 3.18 0.08 -0.17 -4.97 117.98 117.53 1j3j s PHE 360 Ca -0.08 -0.66 -0.21 0.00 0.12 0.00 0.00 56.93 56.11 1j3j s PHE 360 Cb -0.11 -1.27 0.10 0.00 -0.57 0.00 0.00 43.02 41.17 1j3j s PHE 360 CO 0.00 -0.28 1.26 0.34 -0.10 0.00 0.00 175.22 176.44 1j3j s ASP 361 N 0.40 6.57 0.10 1.36 -1.08 -1.26 -1.25 116.67 121.50 1j3j s ASP 361 Ca -0.13 -1.79 0.09 0.00 -0.52 0.00 0.00 52.55 50.20 1j3j s ASP 361 Cb -0.15 -2.47 0.43 0.00 -1.46 0.00 0.00 42.92 39.27 1j3j s ASP 361 CO 0.05 -1.26 1.27 0.18 0.52 0.00 0.00 175.17 175.93 1j3j n LEU 362 N 7.55 0.18 0.11 -1.34 4.77 0.14 -1.15 117.00 127.26 1j3j n LEU 362 Ca 0.28 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.96 1j3j n LEU 362 Cb 0.50 -0.59 0.28 0.00 -2.33 0.00 0.00 43.42 41.28 1j3j n LEU 362 CO 0.57 -0.59 0.68 0.77 -1.33 0.00 0.00 177.39 177.49 1j3j h SER 363 N 0.00 0.00 0.00 -1.43 4.64 -1.68 -3.34 113.55 111.74 1j3j h SER 363 Ca 0.00 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1j3j h SER 363 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1j3j h SER 363 CO 0.00 0.03 -1.59 0.00 -0.87 0.00 0.00 176.83 174.39 1j3j n GLN 364 N -2.38 0.87 -3.67 4.77 1.13 -0.30 -5.09 117.38 112.72 1j3j n GLN 364 Ca 0.04 -0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 55.00 1j3j n GLN 364 Cb 0.46 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.51 1j3j n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3j s TYR 365 N -2.66 -0.13 -0.26 1.08 -0.85 -0.96 -5.05 117.35 108.51 1j3j s TYR 365 Ca -0.05 -0.07 -0.08 0.00 -0.52 0.00 0.00 57.07 56.36 1j3j s TYR 365 Cb 0.06 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 1j3j s TYR 365 CO 0.48 -0.57 0.10 0.12 -1.52 0.00 0.00 175.55 174.15 1j3j s PHE 366 N -2.93 3.11 -1.07 -3.49 5.36 -0.57 -4.09 117.98 114.31 1j3j s PHE 366 Ca 0.12 -0.38 -0.09 0.00 -0.96 0.00 0.00 56.93 55.62 1j3j s PHE 366 Cb 0.01 -2.27 -0.07 0.00 -0.34 0.00 0.00 43.02 40.35 1j3j s PHE 366 CO -0.02 -0.35 2.27 -0.35 -1.46 0.00 0.00 175.22 175.31 1j3j n PRO 367 N 4.95 2.38 -3.27 10.12 -0.04 -1.26 -3.97 135.00 143.91 1j3j n PRO 367 Ca -0.16 -1.72 -0.42 0.00 -0.04 0.00 0.00 63.50 61.17 1j3j n PRO 367 Cb 0.51 -2.62 -0.08 0.00 -0.04 0.00 0.00 33.50 31.27 1j3j n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3j s LEU 368 N 0.36 4.51 0.15 1.53 2.96 -1.26 -4.60 118.68 122.33 1j3j s LEU 368 Ca 0.48 -0.27 -0.32 0.00 -0.22 0.00 0.00 54.13 53.80 1j3j s LEU 368 Cb 0.12 -2.51 -0.17 0.00 0.50 0.00 0.00 46.19 44.13 1j3j s LEU 368 CO -0.02 -0.52 0.86 0.18 -1.32 0.00 0.00 176.35 175.53 1j3j n LEU 369 N 5.72 0.04 -0.11 -0.68 4.77 -1.26 -4.77 117.00 120.70 1j3j n LEU 369 Ca -0.06 1.15 0.06 0.00 -0.03 0.00 0.00 56.01 57.13 1j3j n LEU 369 Cb 0.48 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1j3j n LEU 369 CO 0.46 -2.15 0.08 0.35 -1.33 0.00 0.00 177.39 174.80 1j3j n THR 370 N 0.77 0.00 1.87 -5.08 -2.24 -1.26 -4.48 114.28 103.86 1j3j n THR 370 Ca 0.17 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1j3j n THR 370 Cb 0.21 1.06 0.48 0.00 -2.10 0.00 0.00 70.33 69.98 1j3j n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3j n THR 371 N -0.85 0.00 -3.56 4.28 -2.24 -1.26 -1.50 114.28 109.15 1j3j n THR 371 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1j3j n THR 371 Cb 0.22 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1j3j n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3j s LYS 372 N -2.00 0.90 -0.10 -0.78 -2.85 -1.26 -4.70 119.74 108.96 1j3j s LYS 372 Ca 0.24 -0.38 -0.26 0.00 -1.00 0.00 0.00 55.97 54.57 1j3j s LYS 372 Cb 0.11 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 1j3j s LYS 372 CO 0.19 -0.40 0.82 0.21 0.10 0.00 0.00 175.35 176.27 1j3j s LYS 373 N -3.15 4.40 0.01 1.78 2.20 -1.21 -4.61 119.74 119.16 1j3j s LYS 373 Ca 0.07 1.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.83 1j3j s LYS 373 Cb -0.01 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1j3j s LYS 373 CO -0.06 -0.14 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.02 1j3j s LEU 374 N 1.45 2.10 -0.05 5.43 1.43 -1.26 -4.84 118.68 122.93 1j3j s LEU 374 Ca 0.41 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1j3j s LEU 374 Cb -0.18 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1j3j s LEU 374 CO 0.18 0.29 -0.08 -0.36 0.23 0.00 0.00 176.35 176.61 1j3j s PHE 375 N -0.68 2.91 -0.16 0.29 0.08 -1.26 -5.06 117.98 114.09 1j3j s PHE 375 Ca 0.11 -0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.19 1j3j s PHE 375 Cb -0.10 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1j3j s PHE 375 CO 0.00 0.33 0.15 1.28 -0.10 0.00 0.00 175.22 176.88 1j3j n LEU 376 N 2.13 0.16 -0.14 -0.37 4.77 -1.26 -4.74 117.00 117.55 1j3j n LEU 376 Ca -0.17 -0.49 -0.03 0.00 -0.03 0.00 0.00 56.01 55.28 1j3j n LEU 376 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1j3j n LEU 376 CO 0.27 0.04 0.80 -0.09 -1.33 0.00 0.00 177.39 177.08 1j3j h ARG 377 N 0.00 0.04 -0.37 3.23 2.43 -1.99 -1.40 114.38 116.30 1j3j h ARG 377 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j3j h ARG 377 Cb 0.09 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1j3j h ARG 377 CO 0.00 0.02 0.24 0.78 -1.51 0.00 0.00 179.97 179.50 1j3j h GLY 378 N 0.04 0.54 2.00 2.80 0.00 -1.94 -1.29 103.07 105.21 1j3j h GLY 378 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1j3j h GLY 378 CO -0.44 0.21 -0.15 0.16 0.00 0.00 0.00 176.54 176.32 1j3j h ILE 379 N 0.50 0.36 -0.07 2.60 -0.00 -1.77 -1.47 117.51 117.66 1j3j h ILE 379 Ca 0.14 -0.96 -0.15 0.00 -0.00 0.00 0.00 64.86 63.89 1j3j h ILE 379 Cb -0.02 1.72 0.01 0.00 -0.00 0.00 0.00 36.82 38.53 1j3j h ILE 379 CO -0.03 0.15 -0.54 0.40 -0.00 0.00 0.00 178.15 178.13 1j3j h ILE 380 N 0.00 1.39 -0.70 0.16 2.04 -0.84 -2.56 117.51 116.99 1j3j h ILE 380 Ca -0.00 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.95 1j3j h ILE 380 Cb 0.71 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1j3j h ILE 380 CO 0.02 0.57 0.44 -0.33 0.00 0.00 0.00 178.15 178.85 1j3j h GLU 381 N 0.04 0.94 -0.83 2.37 4.39 -0.97 -0.73 114.58 119.79 1j3j h GLU 381 Ca -0.05 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1j3j h GLU 381 Cb 1.20 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1j3j h GLU 381 CO 0.11 0.64 0.44 1.49 -1.16 0.00 0.00 179.01 180.54 1j3j h GLU 382 N 0.96 1.16 -0.22 2.33 4.81 -1.19 0.03 114.58 122.46 1j3j h GLU 382 Ca 0.26 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1j3j h GLU 382 Cb -0.07 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1j3j h GLU 382 CO -0.05 0.86 0.08 1.25 -0.73 0.00 0.00 179.01 180.42 1j3j h LEU 383 N 1.15 0.31 -1.48 1.64 5.85 -0.82 0.09 115.31 122.05 1j3j h LEU 383 Ca 0.29 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1j3j h LEU 383 Cb 0.05 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1j3j h LEU 383 CO -0.04 0.41 0.17 -0.07 -0.34 0.00 0.00 178.44 178.56 1j3j h LEU 384 N 0.19 0.46 -0.40 2.25 3.38 -0.82 -0.83 115.31 119.54 1j3j h LEU 384 Ca 0.07 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1j3j h LEU 384 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1j3j h LEU 384 CO -0.00 0.41 -0.20 -0.25 0.09 0.00 0.00 178.44 178.48 1j3j h TRP 385 N 0.52 0.97 0.03 1.13 7.01 -0.54 -2.04 115.95 123.04 1j3j h TRP 385 Ca 0.13 -0.24 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1j3j h TRP 385 Cb 0.08 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1j3j h TRP 385 CO 0.00 1.01 -0.01 0.74 -2.79 0.00 0.00 178.44 177.39 1j3j h PHE 386 N 0.66 -0.03 -0.69 2.65 0.04 0.00 -2.67 116.94 116.90 1j3j h PHE 386 Ca 0.09 -0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.01 1j3j h PHE 386 Cb 0.76 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 1j3j h PHE 386 CO 0.06 0.10 0.47 0.82 -0.60 0.00 0.00 178.31 179.16 1j3j h ILE 387 N -0.16 0.78 0.00 -0.55 2.04 -1.10 0.54 117.51 119.06 1j3j h ILE 387 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1j3j h ILE 387 Cb 0.15 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1j3j h ILE 387 CO 0.01 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.75 1j3j n ARG 388 N -4.45 0.14 -0.76 2.37 1.74 -0.77 -4.88 116.66 110.04 1j3j n ARG 388 Ca 0.13 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1j3j n ARG 388 Cb 0.55 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1j3j n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3j n GLY 389 N 1.03 0.64 3.76 -0.13 0.00 0.19 -5.03 105.19 105.64 1j3j n GLY 389 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1j3j n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3j s GLU 390 N -0.24 2.79 0.00 1.61 2.02 -1.03 -3.56 118.70 120.29 1j3j s GLU 390 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1j3j s GLU 390 Cb 0.00 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1j3j s GLU 390 CO 0.00 -1.29 0.33 0.25 0.02 0.00 0.00 175.26 174.57 1j3j n THR 391 N -2.15 0.06 -2.67 3.63 -2.24 -1.26 -4.10 114.28 105.55 1j3j n THR 391 Ca 0.12 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1j3j n THR 391 Cb 0.51 1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 1j3j n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3j s ASN 392 N -0.06 6.26 0.48 3.42 3.84 -1.26 -2.46 114.94 125.16 1j3j s ASN 392 Ca 0.00 -0.42 0.17 0.00 0.21 0.00 0.00 52.86 52.83 1j3j s ASN 392 Cb 0.00 -2.51 1.19 0.00 -0.55 0.00 0.00 41.25 39.38 1j3j s ASN 392 CO 0.00 -1.58 2.03 1.23 -2.79 0.00 0.00 177.10 176.00 1j3j h GLY 393 N 12.10 0.25 0.88 1.21 0.00 -0.57 -2.76 103.07 114.18 1j3j h GLY 393 Ca -0.27 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1j3j h GLY 393 CO 1.21 0.05 0.48 3.43 0.00 0.00 0.00 176.54 181.71 1j3j h ASN 394 N 0.19 0.79 -0.78 0.19 -0.26 -1.91 -2.80 115.58 111.00 1j3j h ASN 394 Ca 0.19 -0.00 0.18 0.00 -0.56 0.00 0.00 56.30 56.11 1j3j h ASN 394 Cb 0.51 -0.18 -0.12 0.00 -1.06 0.00 0.00 38.32 37.48 1j3j h ASN 394 CO -0.03 0.55 0.19 0.74 -1.06 0.00 0.00 177.43 177.81 1j3j h THR 395 N 0.94 0.45 -0.24 2.81 2.02 -1.89 0.60 112.91 117.60 1j3j h THR 395 Ca 0.30 -0.09 -0.20 0.00 0.77 0.00 0.00 66.41 67.20 1j3j h THR 395 Cb 0.01 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1j3j h THR 395 CO -0.11 0.05 -0.62 -0.07 0.37 0.00 0.00 175.52 175.14 1j3j h LEU 396 N 0.25 0.96 -1.16 2.58 3.38 -1.66 -3.20 115.31 116.46 1j3j h LEU 396 Ca 0.45 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1j3j h LEU 396 Cb 0.82 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1j3j h LEU 396 CO -0.56 1.35 0.44 -0.07 0.09 0.00 0.00 178.44 179.70 1j3j h LEU 397 N 0.61 0.90 0.00 1.67 3.38 -0.96 0.05 115.31 120.97 1j3j h LEU 397 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j3j h LEU 397 Cb 1.23 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1j3j h LEU 397 CO 0.13 0.70 0.00 0.59 0.09 0.00 0.00 178.44 179.95 1j3j n ASN 398 N -4.38 0.00 -0.47 -0.43 3.02 0.07 -0.72 115.26 112.35 1j3j n ASN 398 Ca 0.08 0.48 0.05 0.00 -0.03 0.00 0.00 54.58 55.15 1j3j n ASN 398 Cb 0.07 -0.49 0.13 0.00 -0.61 0.00 0.00 39.78 38.89 1j3j n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3j n LYS 399 N -1.49 2.78 -3.71 3.52 5.02 -0.48 -4.98 118.16 118.82 1j3j n LYS 399 Ca 0.03 -2.10 -0.24 0.00 -2.02 0.00 0.00 58.31 53.98 1j3j n LYS 399 Cb 0.15 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 33.89 1j3j n LYS 399 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3j n ASN 400 N -0.10 -3.59 -4.09 4.39 3.02 0.10 -4.95 115.26 110.04 1j3j n ASN 400 Ca 0.11 -0.72 -0.33 0.00 -0.03 0.00 0.00 54.58 53.61 1j3j n ASN 400 Cb 0.48 -4.37 -0.14 0.00 -0.61 0.00 0.00 39.78 35.15 1j3j n ASN 400 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j3j s VAL 401 N -3.43 2.65 -0.34 2.41 1.01 -0.12 -4.98 120.40 117.60 1j3j s VAL 401 Ca 0.34 -1.85 0.15 0.00 0.00 0.00 0.00 61.98 60.62 1j3j s VAL 401 Cb -0.16 -2.71 0.73 0.00 0.00 0.00 0.00 36.38 34.24 1j3j s VAL 401 CO 0.79 -0.34 1.65 0.54 0.00 0.00 0.00 175.10 177.74 1j3j n ARG 402 N 4.46 4.27 -0.31 2.72 1.74 -1.26 -3.39 116.66 124.90 1j3j n ARG 402 Ca -0.06 -3.04 0.09 0.00 -0.77 0.00 0.00 57.85 54.06 1j3j n ARG 402 Cb 0.42 -2.11 0.26 0.00 -1.02 0.00 0.00 32.46 30.01 1j3j n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3j h ILE 403 N 3.44 0.67 -0.31 0.55 2.04 -1.96 -2.12 117.51 119.83 1j3j h ILE 403 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1j3j h ILE 403 Cb 1.78 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1j3j h ILE 403 CO 0.39 0.11 0.00 0.79 0.00 0.00 0.00 178.15 179.44 1j3j n TRP 404 N -4.89 0.39 0.05 1.37 7.02 -1.26 -4.72 117.44 115.39 1j3j n TRP 404 Ca 0.19 -0.22 -0.11 0.00 -1.02 0.00 0.00 57.50 56.34 1j3j n TRP 404 Cb 0.50 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.35 1j3j n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3j h GLU 405 N 4.01 -0.33 -0.02 -0.99 4.81 -1.68 -2.65 114.58 117.73 1j3j h GLU 405 Ca 0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1j3j h GLU 405 Cb 0.91 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1j3j h GLU 405 CO 0.00 -0.22 0.01 0.00 -0.73 0.00 0.00 179.01 178.08 1j3j h ALA 406 N 0.55 1.98 0.00 2.92 0.00 -1.85 -1.45 119.26 121.42 1j3j h ALA 406 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3j h ALA 406 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1j3j h ALA 406 CO -0.22 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.09 1j3j n ASN 407 N -4.48 0.00 -0.48 0.00 3.02 -1.01 -3.62 115.26 108.68 1j3j n ASN 407 Ca -0.03 0.17 0.05 0.00 -0.03 0.00 0.00 54.58 54.74 1j3j n ASN 407 Cb 0.11 -0.38 0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1j3j n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3j n GLY 408 N 1.16 1.67 3.78 7.41 0.00 -0.55 -4.63 105.19 114.02 1j3j n GLY 408 Ca 0.10 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1j3j n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3j s THR 409 N -0.93 3.43 0.21 2.61 -4.23 -1.22 -0.77 115.64 114.75 1j3j s THR 409 Ca 0.17 0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1j3j s THR 409 Cb 0.09 -3.02 0.14 0.00 1.34 0.00 0.00 72.50 71.05 1j3j s THR 409 CO 0.13 -0.58 1.77 -0.09 -0.54 0.00 0.00 174.62 175.32 1j3j h ARG 410 N -0.87 0.52 -0.36 3.99 9.65 -1.96 -0.99 114.38 124.36 1j3j h ARG 410 Ca -0.44 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.30 1j3j h ARG 410 Cb 1.23 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 1j3j h ARG 410 CO 0.53 0.34 -0.21 0.93 2.80 0.00 0.00 179.97 184.36 1j3j h GLU 411 N 0.53 0.69 -0.17 0.20 3.07 -1.97 -1.71 114.58 115.23 1j3j h GLU 411 Ca 0.30 -0.26 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 1j3j h GLU 411 Cb 0.28 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1j3j h GLU 411 CO -0.24 0.84 -0.61 0.35 -1.40 0.00 0.00 179.01 177.96 1j3j h PHE 412 N 0.61 0.94 -0.49 4.33 3.04 -1.71 -2.26 116.94 121.39 1j3j h PHE 412 Ca 0.09 -0.39 -0.08 0.00 3.98 0.00 0.00 57.97 61.57 1j3j h PHE 412 Cb 0.68 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1j3j h PHE 412 CO 0.03 1.20 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.42 1j3j h LEU 413 N 0.41 0.82 -0.69 0.59 3.38 -1.14 -2.51 115.31 116.17 1j3j h LEU 413 Ca -0.03 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1j3j h LEU 413 Cb 1.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1j3j h LEU 413 CO 0.13 0.91 0.10 0.44 0.09 0.00 0.00 178.44 180.11 1j3j h ASP 414 N 0.78 1.07 0.66 -0.43 3.32 -1.29 0.68 116.42 121.20 1j3j h ASP 414 Ca 0.14 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1j3j h ASP 414 Cb 0.51 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1j3j h ASP 414 CO 0.03 1.06 0.00 0.59 -1.72 0.00 0.00 179.24 179.19 1j3j n ASN 415 N -4.21 0.51 -0.79 6.45 3.02 -0.86 -0.12 115.26 119.27 1j3j n ASN 415 Ca 0.04 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.35 1j3j n ASN 415 Cb 0.30 -0.74 0.24 0.00 -0.61 0.00 0.00 39.78 38.97 1j3j n ASN 415 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j3j n ARG 416 N -2.07 2.07 -1.15 3.52 5.12 -0.68 -4.92 116.66 118.55 1j3j n ARG 416 Ca 0.02 -1.58 -0.05 0.00 -1.93 0.00 0.00 57.85 54.31 1j3j n ARG 416 Cb 0.21 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 1j3j n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3j n LYS 417 N 0.91 -0.41 -2.30 5.56 5.02 0.83 -4.93 118.16 122.84 1j3j n LYS 417 Ca 0.15 0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1j3j n LYS 417 Cb 0.52 -4.38 0.01 0.00 -0.02 0.00 0.00 35.03 31.16 1j3j n LYS 417 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3j n LEU 418 N -0.60 7.72 0.26 -0.35 4.77 0.23 -4.70 117.00 124.33 1j3j n LEU 418 Ca -0.05 -5.13 0.10 0.00 -0.03 0.00 0.00 56.01 50.90 1j3j n LEU 418 Cb 0.18 -1.27 0.67 0.00 -2.33 0.00 0.00 43.42 40.67 1j3j n LEU 418 CO 0.08 2.05 1.00 -0.26 -1.33 0.00 0.00 177.39 178.94 1j3j h PHE 419 N 4.42 0.00 -0.59 -1.77 0.04 -1.85 -2.52 116.94 114.67 1j3j h PHE 419 Ca 0.62 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.34 1j3j h PHE 419 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1j3j h PHE 419 CO 1.48 0.09 0.06 0.72 -0.60 0.00 0.00 178.31 180.06 1j3j n HIS 420 N -4.13 2.10 -4.28 -0.55 8.25 -1.26 -4.92 115.22 110.43 1j3j n HIS 420 Ca -0.03 -0.86 -0.35 0.00 -0.26 0.00 0.00 57.72 56.23 1j3j n HIS 420 Cb 0.17 -0.54 -0.09 0.00 1.12 0.00 0.00 29.99 30.65 1j3j n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3j s ARG 421 N -2.84 3.15 0.44 -0.41 6.06 -0.95 -5.09 118.95 119.33 1j3j s ARG 421 Ca 0.54 -0.37 -0.22 0.00 -2.50 0.00 0.00 55.73 53.18 1j3j s ARG 421 Cb 0.42 -2.88 -0.09 0.00 0.06 0.00 0.00 34.95 32.45 1j3j s ARG 421 CO 0.15 0.66 1.03 -2.00 -2.50 0.00 0.00 175.30 172.64 1j3j s GLU 422 N -0.75 4.00 0.14 5.12 2.12 -1.26 -4.95 118.70 123.12 1j3j s GLU 422 Ca 0.12 1.38 -0.34 0.00 0.36 0.00 0.00 54.97 56.49 1j3j s GLU 422 Cb -0.12 -2.28 -0.14 0.00 0.26 0.00 0.00 34.13 31.86 1j3j s GLU 422 CO 0.02 -0.26 1.59 0.28 -0.54 0.00 0.00 175.26 176.35 1j3j n VAL 423 N -0.58 0.04 -0.95 3.70 0.31 -1.26 -0.96 118.33 118.63 1j3j n VAL 423 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1j3j n VAL 423 Cb 0.52 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1j3j n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3j n ASN 424 N 3.59 -1.61 -4.40 4.52 5.03 0.05 -4.91 115.26 117.53 1j3j n ASN 424 Ca 0.17 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.18 1j3j n ASN 424 Cb 0.29 -0.73 -0.04 0.00 -1.02 0.00 0.00 39.78 38.28 1j3j n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3j s ASP 425 N -2.45 6.35 0.00 6.41 -1.08 -0.14 0.25 116.67 126.02 1j3j s ASP 425 Ca 0.00 -1.64 0.14 0.00 -0.52 0.00 0.00 52.55 50.53 1j3j s ASP 425 Cb 0.00 -2.34 0.75 0.00 -1.46 0.00 0.00 42.92 39.88 1j3j s ASP 425 CO 0.00 -1.11 1.35 0.18 0.52 0.00 0.00 175.17 176.11 1j3j n LEU 426 N 6.40 0.00 0.00 -1.34 4.77 -1.03 -4.69 117.00 121.11 1j3j n LEU 426 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1j3j n LEU 426 Cb 0.45 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1j3j n LEU 426 CO 0.55 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1j3j n GLY 427 N -0.10 -2.13 2.99 -0.72 0.00 -1.26 -0.91 105.19 103.07 1j3j n GLY 427 Ca 0.08 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1j3j n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3j n PRO 428 N -0.13 1.80 -0.46 1.61 -0.04 -1.26 -4.81 135.00 131.71 1j3j n PRO 428 Ca 0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1j3j n PRO 428 Cb 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1j3j n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3j n ILE 429 N 5.72 0.00 -0.00 0.52 -5.35 -1.26 -4.60 119.36 114.38 1j3j n ILE 429 Ca 0.50 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.98 1j3j n ILE 429 Cb 0.39 -1.28 -0.00 0.00 -1.74 0.00 0.00 39.64 37.01 1j3j n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3j n TYR 430 N -0.82 -0.00 -0.31 4.28 4.01 -1.26 -0.41 117.16 122.64 1j3j n TYR 430 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1j3j n TYR 430 Cb 0.00 -0.05 0.22 0.00 -0.31 0.00 0.00 39.34 39.20 1j3j n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3j h GLY 431 N 0.00 1.44 0.91 2.72 0.00 -1.75 0.34 103.07 106.72 1j3j h GLY 431 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1j3j h GLY 431 CO -0.00 0.06 -0.06 -2.75 0.00 0.00 0.00 176.54 173.78 1j3j h PHE 432 N 0.77 0.69 -0.37 5.60 3.57 -0.78 -2.46 116.94 123.96 1j3j h PHE 432 Ca 0.46 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 1j3j h PHE 432 Cb 0.55 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1j3j h PHE 432 CO -0.05 0.78 -0.20 1.96 -2.23 0.00 0.00 178.31 178.56 1j3j h GLN 433 N 0.40 0.71 -0.18 1.11 1.08 -0.44 0.85 115.11 118.64 1j3j h GLN 433 Ca 0.08 -0.27 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 1j3j h GLN 433 Cb 0.55 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1j3j h GLN 433 CO 0.03 0.86 -0.21 -1.49 -0.95 0.00 0.00 178.83 177.07 1j3j h TRP 434 N 0.63 0.35 0.00 2.96 4.06 -0.27 -3.03 115.95 120.64 1j3j h TRP 434 Ca 0.09 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1j3j h TRP 434 Cb 0.69 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1j3j h TRP 434 CO 0.03 0.52 -1.30 0.54 -3.56 0.00 0.00 178.44 174.67 1j3j n ARG 435 N -4.18 0.95 -1.93 0.49 5.12 -0.93 -1.39 116.66 114.79 1j3j n ARG 435 Ca -0.01 -0.08 0.02 0.00 -1.93 0.00 0.00 57.85 55.86 1j3j n ARG 435 Cb 0.35 -1.21 0.03 0.00 -1.16 0.00 0.00 32.46 30.47 1j3j n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3j n HIS 436 N -1.75 0.38 -1.66 -1.55 8.25 0.29 -3.36 115.22 115.82 1j3j n HIS 436 Ca -0.01 -1.04 -0.55 0.00 -0.26 0.00 0.00 57.72 55.85 1j3j n HIS 436 Cb 0.26 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 1j3j n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3j n PHE 437 N 0.10 1.79 0.00 4.41 -0.00 -1.01 -0.69 117.46 122.07 1j3j n PHE 437 Ca 0.05 0.60 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 1j3j n PHE 437 Cb 1.02 -2.39 0.00 0.00 -0.00 0.00 0.00 39.48 38.11 1j3j n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3j n GLY 438 N 3.42 3.38 3.77 7.13 0.00 -1.26 -0.43 105.19 121.20 1j3j n GLY 438 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1j3j n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3j s ALA 439 N -2.94 2.42 -0.32 4.61 0.00 0.13 -4.86 121.76 120.80 1j3j s ALA 439 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1j3j s ALA 439 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1j3j s ALA 439 CO 0.00 -1.39 0.85 -2.00 0.00 0.00 0.00 175.76 173.22 1j3j s GLU 440 N -4.28 3.95 0.24 0.00 2.56 -1.26 -5.01 118.70 114.90 1j3j s GLU 440 Ca 0.66 0.65 -0.30 0.00 0.00 0.00 0.00 54.97 55.98 1j3j s GLU 440 Cb -0.20 -3.74 -0.09 0.00 2.00 0.00 0.00 34.13 32.10 1j3j s GLU 440 CO 0.45 -0.76 1.16 -0.47 -0.56 0.00 0.00 175.26 175.08 1j3j s TYR 441 N 3.14 3.46 0.01 5.30 5.04 -1.26 -4.95 117.35 128.09 1j3j s TYR 441 Ca 0.35 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.52 1j3j s TYR 441 Cb -0.13 -3.39 -0.00 0.00 0.35 0.00 0.00 41.96 38.78 1j3j s TYR 441 CO 0.14 -0.97 -0.02 0.25 -1.34 0.00 0.00 175.55 173.61 1j3j n THR 442 N 1.75 0.37 -3.68 4.34 -2.24 -1.26 -5.09 114.28 108.46 1j3j n THR 442 Ca 0.01 0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1j3j n THR 442 Cb 0.44 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 1j3j n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3j s ASN 443 N -5.15 -0.33 0.02 3.42 2.20 -1.26 -5.05 114.94 108.78 1j3j s ASN 443 Ca -0.01 -0.38 0.07 0.00 -0.94 0.00 0.00 52.86 51.59 1j3j s ASN 443 Cb 0.00 0.61 0.30 0.00 -2.00 0.00 0.00 41.25 40.16 1j3j s ASN 443 CO 0.02 -1.08 1.21 1.15 -2.94 0.00 0.00 177.10 175.46 1j3j n MET 444 N -0.37 0.01 -0.00 3.55 0.00 -1.26 -2.55 117.12 116.50 1j3j n MET 444 Ca -0.11 0.41 0.10 0.00 0.00 0.00 0.00 57.70 58.10 1j3j n MET 444 Cb 0.62 -1.53 -0.12 0.00 0.00 0.00 0.00 33.22 32.20 1j3j n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3j n TYR 445 N -1.55 0.00 -1.87 3.17 4.01 -1.26 -4.65 117.16 115.01 1j3j n TYR 445 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 1j3j n TYR 445 Cb 0.07 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1j3j n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3j s ASP 446 N -2.97 5.26 -0.55 7.72 -1.08 -1.06 -4.96 116.67 119.04 1j3j s ASP 446 Ca 0.07 2.63 -0.22 0.00 -0.52 0.00 0.00 52.55 54.51 1j3j s ASP 446 Cb 0.15 -2.62 0.05 0.00 -1.46 0.00 0.00 42.92 39.04 1j3j s ASP 446 CO 0.83 -1.56 0.83 0.21 0.52 0.00 0.00 175.17 176.00 1j3j s ASN 447 N -1.16 6.28 -0.18 -0.34 3.84 -1.26 -4.89 114.94 117.23 1j3j s ASN 447 Ca 0.73 -0.65 0.12 0.00 0.21 0.00 0.00 52.86 53.28 1j3j s ASN 447 Cb -0.37 -2.38 0.66 0.00 -0.55 0.00 0.00 41.25 38.61 1j3j s ASN 447 CO 0.43 -1.14 1.52 -1.22 -2.79 0.00 0.00 177.10 173.90 1j3j n TYR 448 N 7.04 1.63 -1.67 0.43 4.01 -1.26 -4.99 117.16 122.34 1j3j n TYR 448 Ca -0.02 -0.58 -0.58 0.00 -0.16 0.00 0.00 57.90 56.56 1j3j n TYR 448 Cb 0.46 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 1j3j n TYR 448 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1j3j n GLU 449 N 0.60 0.86 -1.33 -0.72 2.13 -1.26 -0.93 120.64 119.98 1j3j n GLU 449 Ca 0.23 0.31 -0.11 0.00 0.66 0.00 0.00 57.16 58.25 1j3j n GLU 449 Cb 0.98 -1.94 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 1j3j n GLU 449 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j3j n ASN 450 N 4.13 -4.64 -4.64 4.31 3.02 -1.26 -5.00 115.26 111.17 1j3j n ASN 450 Ca 0.25 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.73 1j3j n ASN 450 Cb 0.11 -3.13 -0.10 0.00 -0.61 0.00 0.00 39.78 36.04 1j3j n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3j s LYS 451 N -2.85 3.26 0.58 3.52 1.02 -0.11 -5.00 119.74 120.16 1j3j s LYS 451 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1j3j s LYS 451 Cb 0.00 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1j3j s LYS 451 CO 0.00 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1j3j n GLY 452 N 2.59 -2.01 3.63 -3.33 0.00 -1.26 -4.36 105.19 100.45 1j3j n GLY 452 Ca -0.18 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1j3j n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3j s VAL 453 N -0.80 5.07 -1.17 1.61 1.01 0.43 -4.76 120.40 121.80 1j3j s VAL 453 Ca 0.00 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1j3j s VAL 453 Cb 0.00 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.65 1j3j s VAL 453 CO 0.00 0.10 1.51 -0.62 0.00 0.00 0.00 175.10 176.10 1j3j s ASP 454 N 1.44 6.82 0.31 3.32 -1.08 -1.21 -2.39 116.67 123.88 1j3j s ASP 454 Ca 0.22 -2.38 0.00 0.00 -0.52 0.00 0.00 52.55 49.88 1j3j s ASP 454 Cb -0.16 -2.50 0.50 0.00 -1.46 0.00 0.00 42.92 39.30 1j3j s ASP 454 CO 0.09 -1.09 1.90 1.56 0.52 0.00 0.00 175.17 178.15 1j3j h GLN 455 N 8.02 0.82 -0.30 4.34 4.20 -1.52 -1.62 115.11 129.04 1j3j h GLN 455 Ca 0.33 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.97 1j3j h GLN 455 Cb 0.92 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1j3j h GLN 455 CO 1.34 0.67 0.01 1.25 -0.67 0.00 0.00 178.83 181.42 1j3j h LEU 456 N 0.82 -0.10 -0.65 1.46 5.85 -1.54 0.21 115.31 121.36 1j3j h LEU 456 Ca 0.20 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1j3j h LEU 456 Cb 0.14 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1j3j h LEU 456 CO -0.02 -0.02 0.20 0.50 -0.34 0.00 0.00 178.44 178.76 1j3j h LYS 457 N 0.10 1.01 -0.27 1.25 3.64 -1.77 -2.81 116.57 117.72 1j3j h LYS 457 Ca 0.14 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1j3j h LYS 457 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1j3j h LYS 457 CO -0.24 0.89 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.90 1j3j h ASN 458 N 0.94 0.47 -0.07 4.20 2.35 -0.39 -1.76 115.58 121.33 1j3j h ASN 458 Ca 0.21 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1j3j h ASN 458 Cb 0.30 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1j3j h ASN 458 CO -0.01 0.69 -0.09 0.16 -1.65 0.00 0.00 177.43 176.53 1j3j h ILE 459 N 0.25 1.19 -0.47 2.81 -0.00 -0.61 -0.17 117.51 120.51 1j3j h ILE 459 Ca 0.07 -0.82 -0.10 0.00 -0.00 0.00 0.00 64.86 64.01 1j3j h ILE 459 Cb 0.45 1.13 -0.01 0.00 -0.00 0.00 0.00 36.82 38.39 1j3j h ILE 459 CO 0.02 0.26 -0.11 0.40 -0.00 0.00 0.00 178.15 178.73 1j3j h ILE 460 N 0.33 1.27 -0.02 0.16 2.04 -1.34 -0.72 117.51 119.24 1j3j h ILE 460 Ca 0.07 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 1j3j h ILE 460 Cb 0.38 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1j3j h ILE 460 CO 0.02 0.42 -0.46 0.78 0.00 0.00 0.00 178.15 178.91 1j3j h ASN 461 N 0.75 0.04 -0.21 1.72 2.35 -0.81 -2.14 115.58 117.29 1j3j h ASN 461 Ca 0.12 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1j3j h ASN 461 Cb 0.65 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1j3j h ASN 461 CO 0.04 0.50 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.07 1j3j h LEU 462 N 0.03 0.52 -1.15 1.61 3.38 -0.61 -0.71 115.31 118.38 1j3j h LEU 462 Ca -0.00 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1j3j h LEU 462 Cb 0.83 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1j3j h LEU 462 CO 0.06 0.88 0.57 0.40 0.09 0.00 0.00 178.44 180.44 1j3j h ILE 463 N 0.17 1.21 -0.01 1.22 2.04 -0.95 0.62 117.51 121.81 1j3j h ILE 463 Ca 0.04 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.32 1j3j h ILE 463 Cb 0.72 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1j3j h ILE 463 CO 0.05 0.21 -0.68 0.11 0.00 0.00 0.00 178.15 177.84 1j3j h LYS 464 N 1.16 0.48 0.01 2.37 1.57 -1.28 -3.31 116.57 117.57 1j3j h LYS 464 Ca 0.32 -0.50 -0.36 0.00 -1.87 0.00 0.00 60.65 58.24 1j3j h LYS 464 Cb -0.12 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1j3j h LYS 464 CO -0.07 1.14 -2.25 0.09 -0.57 0.00 0.00 179.45 177.79 1j3j n ASN 465 N -4.15 0.60 -3.29 0.86 3.02 -0.28 -4.69 115.26 107.33 1j3j n ASN 465 Ca -0.10 0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.26 1j3j n ASN 465 Cb 0.71 0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 40.27 1j3j n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3j n ASP 466 N -2.93 1.89 0.27 6.41 2.03 0.22 -4.97 116.55 119.47 1j3j n ASP 466 Ca -0.32 -3.06 0.12 0.00 0.52 0.00 0.00 54.79 52.05 1j3j n ASP 466 Cb 1.11 -0.65 0.76 0.00 -0.72 0.00 0.00 41.12 41.61 1j3j n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3j h PRO 467 N 4.05 0.00 -0.18 -0.67 0.13 -1.61 -2.25 132.00 131.48 1j3j h PRO 467 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1j3j h PRO 467 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1j3j h PRO 467 CO 0.64 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.71 1j3j n THR 468 N -4.03 0.23 -1.96 1.56 -2.24 -1.26 -3.94 114.28 102.64 1j3j n THR 468 Ca -0.03 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 1j3j n THR 468 Cb 0.14 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1j3j n THR 468 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1j3j s SER 469 N -1.29 5.97 -0.29 3.42 0.15 -0.85 -4.93 113.70 115.88 1j3j s SER 469 Ca 0.24 2.70 0.10 0.00 0.70 0.00 0.00 55.95 59.68 1j3j s SER 469 Cb 0.12 -2.64 0.55 0.00 -1.71 0.00 0.00 66.02 62.35 1j3j s SER 469 CO 0.18 -1.09 1.55 0.54 1.20 0.00 0.00 173.24 175.62 1j3j n ARG 470 N -0.27 2.25 -0.13 5.44 1.74 -1.26 -4.30 116.66 120.13 1j3j n ARG 470 Ca 0.06 -3.09 0.06 0.00 -0.77 0.00 0.00 57.85 54.11 1j3j n ARG 470 Cb 0.44 -1.90 0.08 0.00 -1.02 0.00 0.00 32.46 30.06 1j3j n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3j n ARG 471 N -0.94 1.30 -2.65 5.56 1.74 -1.26 -4.92 116.66 115.49 1j3j n ARG 471 Ca 0.35 -1.99 -0.43 0.00 -0.77 0.00 0.00 57.85 55.01 1j3j n ARG 471 Cb 1.13 -1.18 -0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1j3j n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j3j s ILE 472 N -1.88 4.28 0.05 0.55 1.01 -1.26 -4.92 121.20 119.03 1j3j s ILE 472 Ca 0.19 -2.00 0.09 0.00 0.00 0.00 0.00 60.65 58.93 1j3j s ILE 472 Cb 0.16 -5.14 -0.03 0.00 0.01 0.00 0.00 42.46 37.47 1j3j s ILE 472 CO 0.02 -1.95 -0.25 -0.76 0.00 0.00 0.00 174.94 172.00 1j3j s LEU 473 N 3.77 2.17 -0.30 2.97 1.02 -1.26 -1.51 118.68 125.53 1j3j s LEU 473 Ca 0.51 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 54.11 1j3j s LEU 473 Cb 0.03 -1.23 0.08 0.00 0.02 0.00 0.00 46.19 45.08 1j3j s LEU 473 CO 0.06 0.24 -0.02 -0.22 0.02 0.00 0.00 176.35 176.42 1j3j s LEU 474 N -1.25 4.13 -0.19 1.79 2.96 0.19 -4.86 118.68 121.45 1j3j s LEU 474 Ca 0.11 -1.77 -0.04 0.00 -0.22 0.00 0.00 54.13 52.21 1j3j s LEU 474 Cb -0.10 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1j3j s LEU 474 CO 0.02 -0.29 -0.02 0.00 -1.32 0.00 0.00 176.35 174.74 1j3j n ALA 476 N 4.16 4.43 -2.70 0.00 0.00 -0.46 -4.76 120.51 121.18 1j3j n ALA 476 Ca -0.17 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.27 1j3j n ALA 476 Cb 0.52 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1j3j n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3j s TRP 477 N -3.06 2.91 -0.59 0.00 -0.11 -1.22 -4.80 118.94 112.08 1j3j s TRP 477 Ca 0.07 -1.50 -0.20 0.00 1.22 0.00 0.00 56.10 55.68 1j3j s TRP 477 Cb 0.16 -4.59 0.08 0.00 -1.50 0.00 0.00 33.47 27.62 1j3j s TRP 477 CO 0.86 -1.72 0.78 1.21 -4.62 0.00 0.00 176.95 173.46 1j3j s ASN 478 N 4.05 6.20 0.44 5.86 3.84 -1.26 -4.93 114.94 129.14 1j3j s ASN 478 Ca 0.47 -1.14 0.20 0.00 0.21 0.00 0.00 52.86 52.61 1j3j s ASN 478 Cb 0.00 -2.34 1.16 0.00 -0.55 0.00 0.00 41.25 39.52 1j3j s ASN 478 CO -0.01 -1.17 1.85 0.58 -2.79 0.00 0.00 177.10 175.56 1j3j h VAL 479 N 5.93 0.63 -0.10 -5.21 2.07 -2.01 -1.45 116.25 116.11 1j3j h VAL 479 Ca -0.29 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1j3j h VAL 479 Cb 1.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1j3j h VAL 479 CO 1.10 0.06 -0.55 0.50 0.02 0.00 0.00 177.57 178.70 1j3j h LYS 480 N 0.33 0.29 -0.01 1.57 3.64 -2.02 -3.28 116.57 117.09 1j3j h LYS 480 Ca 0.48 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1j3j h LYS 480 Cb 1.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1j3j h LYS 480 CO -0.16 0.76 -0.47 -0.25 -2.27 0.00 0.00 179.45 177.06 1j3j n ASP 481 N -3.92 1.39 -0.25 4.20 8.00 -0.60 -4.68 116.55 120.69 1j3j n ASP 481 Ca -0.02 -1.10 -0.01 0.00 0.71 0.00 0.00 54.79 54.36 1j3j n ASP 481 Cb 0.58 0.40 0.05 0.00 -0.02 0.00 0.00 41.12 42.13 1j3j n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1j3j h LEU 482 N 1.45 -0.95 -2.46 0.64 3.38 -1.47 -0.81 115.31 115.09 1j3j h LEU 482 Ca 0.00 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1j3j h LEU 482 Cb 0.61 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j3j h LEU 482 CO 0.00 -0.27 -0.01 0.44 0.09 0.00 0.00 178.44 178.69 1j3j h ASP 483 N -0.07 0.00 0.80 -0.43 3.32 -1.86 -1.38 116.42 116.81 1j3j h ASP 483 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1j3j h ASP 483 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1j3j h ASP 483 CO -0.76 0.01 -0.45 0.00 -1.72 0.00 0.00 179.24 176.32 1j3j n GLN 484 N -3.12 0.15 -2.98 3.56 6.02 -0.33 -4.88 117.38 115.80 1j3j n GLN 484 Ca -0.02 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1j3j n GLN 484 Cb 0.15 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 1j3j n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3j s MET 485 N -3.08 4.16 0.31 -1.09 -1.94 -0.52 -4.34 119.30 112.80 1j3j s MET 485 Ca 0.09 0.92 0.05 0.00 -1.71 0.00 0.00 55.69 55.04 1j3j s MET 485 Cb 0.15 -2.40 0.68 0.00 2.01 0.00 0.00 34.83 35.28 1j3j s MET 485 CO 0.68 0.11 1.82 0.00 -0.01 0.00 0.00 175.02 177.62 1j3j h ALA 486 N 2.28 1.65 -1.81 3.03 0.00 -1.33 -3.42 119.26 119.67 1j3j h ALA 486 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1j3j h ALA 486 Cb 1.18 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 1j3j h ALA 486 CO 0.64 0.06 0.32 -0.48 0.00 0.00 0.00 179.25 179.78 1j3j s LEU 487 N -10.16 -0.56 0.55 0.00 2.34 -1.26 -4.98 118.68 104.61 1j3j s LEU 487 Ca -0.11 0.83 -0.21 0.00 0.06 0.00 0.00 54.13 54.69 1j3j s LEU 487 Cb 0.23 2.22 -0.05 0.00 -0.56 0.00 0.00 46.19 48.03 1j3j s LEU 487 CO 0.80 -0.37 1.31 -2.65 -1.06 0.00 0.00 176.35 174.38 1j3j n PRO 488 N 1.51 1.59 -1.96 1.48 -0.02 -1.26 -4.92 135.00 131.41 1j3j n PRO 488 Ca -0.14 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 1j3j n PRO 488 Cb 0.57 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1j3j n PRO 488 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j3j s PRO 489 N -2.86 4.16 0.03 0.52 0.04 -1.26 -4.93 135.00 130.69 1j3j s PRO 489 Ca 0.72 2.36 -0.10 0.00 0.04 0.00 0.00 61.00 64.02 1j3j s PRO 489 Cb -0.42 -2.96 -0.32 0.00 0.04 0.00 0.00 34.50 30.84 1j3j s PRO 489 CO 0.49 -0.41 0.98 0.00 0.04 0.00 0.00 177.00 178.10 1j3j s HIS 491 N -2.62 2.95 0.08 0.00 3.76 -1.26 -1.34 115.29 116.86 1j3j s HIS 491 Ca -0.08 -0.96 -0.24 0.00 -0.15 0.00 0.00 55.06 53.62 1j3j s HIS 491 Cb 0.05 -4.15 -0.16 0.00 1.11 0.00 0.00 32.58 29.44 1j3j s HIS 491 CO 0.91 -1.44 1.69 0.82 -0.85 0.00 0.00 174.74 175.87 1j3j h ILE 492 N 5.86 0.98 -2.80 0.60 1.08 -1.39 -3.42 117.51 118.42 1j3j h ILE 492 Ca -0.18 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.29 1j3j h ILE 492 Cb 1.07 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 1j3j h ILE 492 CO 1.11 0.02 0.33 -1.48 -0.69 0.00 0.00 178.15 177.44 1j3j s LEU 493 N -10.10 -0.17 -0.02 1.44 0.05 -1.23 -1.36 118.68 107.28 1j3j s LEU 493 Ca -0.14 -0.66 0.03 0.00 0.05 0.00 0.00 54.13 53.41 1j3j s LEU 493 Cb 0.05 2.56 -0.00 0.00 -2.05 0.00 0.00 46.19 46.76 1j3j s LEU 493 CO 0.66 -1.28 -0.09 0.00 -0.55 0.00 0.00 176.35 175.09 1j3j s GLN 495 N 0.05 1.41 0.18 0.00 0.74 0.31 -0.64 119.66 121.71 1j3j s GLN 495 Ca -0.01 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 54.80 1j3j s GLN 495 Cb -0.07 -1.39 -0.04 0.00 1.10 0.00 0.00 33.01 32.61 1j3j s GLN 495 CO 0.00 0.38 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.99 1j3j s PHE 496 N -0.50 2.70 -0.02 1.67 0.08 -0.57 -0.66 117.98 120.68 1j3j s PHE 496 Ca 0.07 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.93 1j3j s PHE 496 Cb -0.07 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1j3j s PHE 496 CO -0.00 0.51 -0.01 -0.47 -0.10 0.00 0.00 175.22 175.15 1j3j s TYR 497 N -1.70 0.35 -0.13 0.36 5.04 -0.62 -4.69 117.35 115.96 1j3j s TYR 497 Ca 0.26 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.87 1j3j s TYR 497 Cb -0.09 -0.38 0.02 0.00 0.35 0.00 0.00 41.96 41.85 1j3j s TYR 497 CO 0.16 -0.11 -0.17 0.08 -1.34 0.00 0.00 175.55 174.18 1j3j s VAL 498 N 0.76 1.68 -0.07 3.14 1.01 -1.25 -0.80 120.40 124.86 1j3j s VAL 498 Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1j3j s VAL 498 Cb -0.11 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1j3j s VAL 498 CO -0.01 0.48 0.15 0.12 0.00 0.00 0.00 175.10 175.83 1j3j s PHE 499 N 1.08 -0.16 -1.38 5.22 5.36 -0.44 -4.68 117.98 122.97 1j3j s PHE 499 Ca -0.03 0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1j3j s PHE 499 Cb -0.14 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.45 1j3j s PHE 499 CO -0.04 -0.17 0.43 -3.47 -1.46 0.00 0.00 175.22 170.51 1j3j n ASP 500 N 4.20 -0.98 -1.26 6.13 2.03 -1.26 -1.06 116.55 124.35 1j3j n ASP 500 Ca -0.26 -1.05 -0.15 0.00 0.52 0.00 0.00 54.79 53.84 1j3j n ASP 500 Cb 0.52 -2.86 -0.05 0.00 -0.72 0.00 0.00 41.12 38.00 1j3j n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3j n GLY 501 N -2.02 1.19 3.14 0.27 0.00 -1.26 -5.00 105.19 101.51 1j3j n GLY 501 Ca -0.28 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1j3j n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3j s LYS 502 N -3.56 1.47 -0.19 1.61 1.02 -0.23 -1.93 119.74 117.93 1j3j s LYS 502 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 1j3j s LYS 502 Cb 0.00 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 1j3j s LYS 502 CO 0.00 0.32 0.01 -1.17 -0.92 0.00 0.00 175.35 173.59 1j3j s LEU 503 N -0.25 3.40 0.19 3.17 2.96 0.56 -1.33 118.68 127.38 1j3j s LEU 503 Ca 0.03 -0.12 0.10 0.00 -0.22 0.00 0.00 54.13 53.91 1j3j s LEU 503 Cb -0.08 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1j3j s LEU 503 CO 0.00 0.10 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.57 1j3j s SER 504 N 0.79 4.07 -0.01 3.68 0.01 0.01 0.27 113.70 122.52 1j3j s SER 504 Ca 0.01 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1j3j s SER 504 Cb -0.14 -0.61 0.01 0.00 0.21 0.00 0.00 66.02 65.49 1j3j s SER 504 CO 0.02 0.10 0.01 0.00 0.41 0.00 0.00 173.24 173.78 1j3j s ILE 506 N 0.48 3.18 -0.09 0.00 1.01 0.17 0.11 121.20 126.06 1j3j s ILE 506 Ca -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1j3j s ILE 506 Cb -0.06 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1j3j s ILE 506 CO -0.01 0.53 -0.20 -0.32 0.00 0.00 0.00 174.94 174.94 1j3j s MET 507 N 0.15 2.56 -0.27 2.79 1.75 -0.10 -0.53 119.30 125.65 1j3j s MET 507 Ca -0.06 -0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 53.58 1j3j s MET 507 Cb -0.15 -1.98 -0.04 0.00 2.84 0.00 0.00 34.83 35.51 1j3j s MET 507 CO 0.04 0.12 0.13 -0.47 -0.65 0.00 0.00 175.02 174.20 1j3j s TYR 508 N 0.47 3.15 -0.22 4.11 6.14 -0.80 -1.21 117.35 128.99 1j3j s TYR 508 Ca -0.17 -0.19 -0.06 0.00 0.64 0.00 0.00 57.07 57.29 1j3j s TYR 508 Cb -0.17 -2.31 -0.02 0.00 0.42 0.00 0.00 41.96 39.87 1j3j s TYR 508 CO 0.07 -0.28 0.02 -1.14 0.64 0.00 0.00 175.55 174.86 1j3j s GLN 509 N 1.68 3.59 0.32 4.97 0.74 0.02 -1.21 119.66 129.77 1j3j s GLN 509 Ca 0.07 -0.52 0.17 0.00 0.05 0.00 0.00 55.36 55.13 1j3j s GLN 509 Cb -0.16 -3.15 0.21 0.00 1.10 0.00 0.00 33.01 31.01 1j3j s GLN 509 CO 0.07 -0.09 1.52 0.07 -0.55 0.00 0.00 175.29 176.31 1j3j h ARG 510 N 7.83 0.00 -3.28 1.67 0.11 -1.51 0.12 114.38 119.33 1j3j h ARG 510 Ca -0.38 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.42 1j3j h ARG 510 Cb 1.17 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.92 1j3j h ARG 510 CO 0.60 0.39 -0.65 0.45 0.10 0.00 0.00 179.97 180.86 1j3j s SER 511 N -6.39 0.24 -0.12 0.08 0.15 -1.26 -1.67 113.70 104.73 1j3j s SER 511 Ca 0.04 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1j3j s SER 511 Cb 0.07 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1j3j s SER 511 CO 0.72 -0.18 -0.10 0.00 1.20 0.00 0.00 173.24 174.88 1j3j s ASP 513 N 1.57 6.35 0.15 0.00 -1.08 -1.26 -0.99 116.67 121.41 1j3j s ASP 513 Ca 0.04 -1.48 -0.17 0.00 -0.52 0.00 0.00 52.55 50.41 1j3j s ASP 513 Cb -0.13 -2.39 0.04 0.00 -1.46 0.00 0.00 42.92 38.98 1j3j s ASP 513 CO -0.08 -1.24 1.74 -0.07 0.52 0.00 0.00 175.17 176.04 1j3j h LEU 514 N 10.73 0.07 -0.80 -1.34 -0.00 -1.40 0.84 115.31 123.41 1j3j h LEU 514 Ca -0.11 0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.71 1j3j h LEU 514 Cb 1.06 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1j3j h LEU 514 CO 1.14 0.08 -0.10 1.23 -0.00 0.00 0.00 178.44 180.78 1j3j h GLY 515 N 0.22 0.86 0.00 0.83 0.00 -1.92 -3.38 103.07 99.69 1j3j h GLY 515 Ca 0.15 -0.65 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1j3j h GLY 515 CO -0.17 0.60 -1.47 1.04 0.00 0.00 0.00 176.54 176.54 1j3j n LEU 516 N -4.16 1.43 -0.03 3.11 4.77 -1.22 -4.84 117.00 116.06 1j3j n LEU 516 Ca 0.01 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1j3j n LEU 516 Cb 0.36 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1j3j n LEU 516 CO 0.43 0.34 0.30 1.23 -1.33 0.00 0.00 177.39 178.36 1j3j h GLY 517 N 0.01 -0.07 -0.41 -0.72 0.00 -1.45 -3.38 103.07 97.05 1j3j h GLY 517 Ca -0.21 0.02 0.25 0.00 0.00 0.00 0.00 47.33 47.40 1j3j h GLY 517 CO -0.10 -0.02 0.33 -2.08 0.00 0.00 0.00 176.54 174.67 1j3j h VAL 518 N -0.94 0.35 -0.84 4.60 2.07 -1.06 0.38 116.25 120.80 1j3j h VAL 518 Ca -0.01 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.55 1j3j h VAL 518 Cb 0.59 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 1j3j h VAL 518 CO 0.01 0.05 0.46 -0.65 0.02 0.00 0.00 177.57 177.46 1j3j h PRO 519 N 0.27 0.68 -0.13 1.57 0.11 -1.75 0.11 132.00 132.85 1j3j h PRO 519 Ca 0.59 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.47 1j3j h PRO 519 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1j3j h PRO 519 CO -0.62 0.45 -0.68 0.74 -0.21 0.00 0.00 178.00 177.68 1j3j h PHE 520 N 0.70 0.71 -0.73 0.65 0.04 -1.18 -3.07 116.94 114.05 1j3j h PHE 520 Ca 0.44 -0.29 0.05 0.00 2.80 0.00 0.00 57.97 60.97 1j3j h PHE 520 Cb 0.54 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 1j3j h PHE 520 CO -0.08 1.06 0.44 -0.91 -0.60 0.00 0.00 178.31 178.22 1j3j h ASN 521 N 0.38 0.69 -0.46 2.17 -0.26 0.41 0.86 115.58 119.37 1j3j h ASN 521 Ca -0.02 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1j3j h ASN 521 Cb 1.26 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.37 1j3j h ASN 521 CO 0.13 0.45 0.14 0.40 -1.06 0.00 0.00 177.43 177.49 1j3j h ILE 522 N 0.82 1.23 0.06 2.81 2.04 -1.08 -2.69 117.51 120.69 1j3j h ILE 522 Ca 0.31 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1j3j h ILE 522 Cb 0.13 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1j3j h ILE 522 CO -0.15 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.24 1j3j h ALA 523 N 0.99 -0.08 -0.06 1.87 0.00 -1.25 -1.80 119.26 118.94 1j3j h ALA 523 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1j3j h ALA 523 Cb 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1j3j h ALA 523 CO -0.00 -0.45 -0.45 0.77 0.00 0.00 0.00 179.25 179.12 1j3j h SER 524 N -0.26 -1.39 0.84 0.00 0.02 -0.83 0.36 113.55 112.28 1j3j h SER 524 Ca -0.01 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1j3j h SER 524 Cb 0.23 0.55 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1j3j h SER 524 CO 0.01 -0.46 -0.03 1.88 -1.14 0.00 0.00 176.83 177.09 1j3j h TYR 525 N -0.56 0.00 -0.02 3.45 0.05 -1.52 0.27 116.97 118.64 1j3j h TYR 525 Ca 0.05 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.63 1j3j h TYR 525 Cb 0.66 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.41 1j3j h TYR 525 CO -0.48 0.03 -0.76 0.77 -1.05 0.00 0.00 178.16 176.67 1j3j h SER 526 N 0.00 0.70 -0.48 3.88 0.02 -0.64 -1.69 113.55 115.35 1j3j h SER 526 Ca -0.00 -0.73 -0.02 0.00 -0.84 0.00 0.00 61.79 60.20 1j3j h SER 526 Cb 0.46 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1j3j h SER 526 CO 0.00 1.34 0.23 0.40 -1.14 0.00 0.00 176.83 177.67 1j3j h ILE 527 N 0.13 1.19 -0.67 3.27 2.04 -0.30 -2.22 117.51 120.95 1j3j h ILE 527 Ca -0.09 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1j3j h ILE 527 Cb 1.44 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1j3j h ILE 527 CO 0.15 0.21 0.39 0.15 0.00 0.00 0.00 178.15 179.05 1j3j h PHE 528 N 0.63 0.71 -0.64 1.37 3.57 -0.93 -1.10 116.94 120.56 1j3j h PHE 528 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1j3j h PHE 528 Cb 0.12 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1j3j h PHE 528 CO -0.01 0.36 0.38 1.15 -2.23 0.00 0.00 178.31 177.96 1j3j h THR 529 N 0.73 1.04 -0.45 4.41 2.02 -0.89 0.10 112.91 119.88 1j3j h THR 529 Ca 0.29 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1j3j h THR 529 Cb 0.14 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1j3j h THR 529 CO -0.16 0.13 0.17 0.45 0.37 0.00 0.00 175.52 176.48 1j3j h HIS 530 N 0.74 0.69 0.37 3.16 3.86 -0.78 -0.77 115.15 122.42 1j3j h HIS 530 Ca 0.27 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1j3j h HIS 530 Cb 0.07 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1j3j h HIS 530 CO -0.06 0.60 -0.24 0.52 0.86 0.00 0.00 177.93 179.61 1j3j h MET 531 N 0.58 -0.57 -0.86 2.45 2.07 -0.52 0.13 114.93 118.21 1j3j h MET 531 Ca 0.15 0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.86 1j3j h MET 531 Cb 0.21 0.13 -0.06 0.00 -1.87 0.00 0.00 31.60 30.02 1j3j h MET 531 CO -0.01 -0.38 0.55 0.82 1.07 0.00 0.00 176.91 178.96 1j3j h ILE 532 N -0.59 1.10 -0.48 -1.22 1.08 -0.96 -2.15 117.51 114.28 1j3j h ILE 532 Ca -0.04 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1j3j h ILE 532 Cb 0.50 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 1j3j h ILE 532 CO 0.03 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.93 1j3j h ALA 533 N 1.38 0.62 -0.43 1.87 0.00 -0.70 -2.81 119.26 119.19 1j3j h ALA 533 Ca 0.36 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1j3j h ALA 533 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j3j h ALA 533 CO -0.14 0.16 -0.24 0.37 0.00 0.00 0.00 179.25 179.39 1j3j h GLN 534 N 0.64 0.90 0.00 0.00 4.15 -0.39 0.17 115.11 120.57 1j3j h GLN 534 Ca 0.17 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1j3j h GLN 534 Cb 0.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1j3j h GLN 534 CO -0.03 1.04 0.00 1.33 -1.93 0.00 0.00 178.83 179.24 1j3j n VAL 535 N -4.10 0.62 0.03 2.39 0.24 -0.84 -1.94 118.33 114.73 1j3j n VAL 535 Ca -0.00 0.16 0.05 0.00 -2.04 0.00 0.00 64.34 62.50 1j3j n VAL 535 Cb 0.46 -0.84 0.11 0.00 -1.47 0.00 0.00 33.84 32.10 1j3j n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3j n ASN 537 N 0.47 -4.54 -4.51 0.00 3.02 -0.78 -4.93 115.26 103.98 1j3j n ASN 537 Ca 0.09 -0.72 -0.25 0.00 -0.03 0.00 0.00 54.58 53.66 1j3j n ASN 537 Cb 0.36 -4.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.20 1j3j n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3j s LEU 538 N -7.17 2.68 -0.09 3.41 1.43 0.52 -5.02 118.68 114.44 1j3j s LEU 538 Ca 0.53 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1j3j s LEU 538 Cb -0.26 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1j3j s LEU 538 CO 0.80 -0.13 0.14 -1.10 0.23 0.00 0.00 176.35 176.29 1j3j s GLN 539 N -3.58 3.39 0.40 1.70 -1.52 -0.81 -4.01 119.66 115.22 1j3j s GLN 539 Ca 0.31 -0.21 -0.25 0.00 -1.95 0.00 0.00 55.36 53.26 1j3j s GLN 539 Cb -0.00 -3.13 -0.08 0.00 -0.22 0.00 0.00 33.01 29.58 1j3j s GLN 539 CO 0.16 0.75 1.18 -1.25 -0.25 0.00 0.00 175.29 175.87 1j3j s PRO 540 N -1.25 4.04 0.00 2.91 0.04 -1.26 -0.32 135.00 139.16 1j3j s PRO 540 Ca 0.18 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1j3j s PRO 540 Cb -0.12 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1j3j s PRO 540 CO 0.08 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.78 1j3j n ALA 541 N 0.07 0.08 -2.62 8.56 0.00 0.14 -3.93 120.51 122.81 1j3j n ALA 541 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 1j3j n ALA 541 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1j3j n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3j s GLN 542 N 0.90 2.64 -0.21 0.00 -0.21 -1.25 0.24 119.66 121.76 1j3j s GLN 542 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.64 1j3j s GLN 542 Cb 0.00 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.42 1j3j s GLN 542 CO 0.00 0.62 0.05 0.12 -2.12 0.00 0.00 175.29 173.96 1j3j s PHE 543 N -1.00 3.12 -0.23 0.91 5.36 -0.38 -0.47 117.98 125.29 1j3j s PHE 543 Ca 0.17 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 1j3j s PHE 543 Cb -0.11 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 1j3j s PHE 543 CO 0.07 -0.16 -0.09 0.42 -1.46 0.00 0.00 175.22 174.00 1j3j s ILE 544 N 1.05 2.72 -0.29 3.12 1.01 0.29 -1.00 121.20 128.11 1j3j s ILE 544 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 1j3j s ILE 544 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1j3j s ILE 544 CO 0.03 0.30 0.19 -2.28 0.00 0.00 0.00 174.94 173.17 1j3j s HIS 545 N 1.33 3.21 -0.27 3.97 2.46 0.55 -0.93 115.29 125.60 1j3j s HIS 545 Ca 0.02 -0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.44 1j3j s HIS 545 Cb -0.16 -2.38 -0.01 0.00 -0.13 0.00 0.00 32.58 29.90 1j3j s HIS 545 CO -0.06 -0.24 0.06 0.08 -2.47 0.00 0.00 174.74 172.11 1j3j s VAL 546 N 1.73 4.03 -0.18 0.89 1.01 -0.35 -0.51 120.40 127.02 1j3j s VAL 546 Ca 0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1j3j s VAL 546 Cb -0.16 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1j3j s VAL 546 CO 0.10 0.21 0.11 -0.76 0.00 0.00 0.00 175.10 174.76 1j3j s LEU 547 N 1.54 4.13 0.00 3.92 1.43 -0.17 -0.80 118.68 128.72 1j3j s LEU 547 Ca 0.04 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1j3j s LEU 547 Cb -0.16 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1j3j s LEU 547 CO 0.02 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1j3j n GLY 548 N 3.19 0.74 3.53 -3.19 0.00 0.41 -1.65 105.19 108.22 1j3j n GLY 548 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1j3j n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3j s ASN 549 N -1.00 6.19 -0.30 1.61 3.84 -0.67 -1.28 114.94 123.34 1j3j s ASN 549 Ca 0.00 -0.65 -0.15 0.00 0.21 0.00 0.00 52.86 52.26 1j3j s ASN 549 Cb 0.00 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1j3j s ASN 549 CO 0.00 -1.72 0.39 0.00 -2.79 0.00 0.00 177.10 172.97 1j3j s ALA 550 N 5.29 3.54 0.11 1.71 0.00 -0.72 -0.41 121.76 131.29 1j3j s ALA 550 Ca 0.33 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1j3j s ALA 550 Cb -0.09 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1j3j s ALA 550 CO 0.12 -0.82 -0.08 -3.38 0.00 0.00 0.00 175.76 171.60 1j3j s HIS 551 N 2.10 1.02 -0.13 0.00 -3.43 -0.16 -1.28 115.29 113.40 1j3j s HIS 551 Ca 0.15 -0.85 0.01 0.00 -0.80 0.00 0.00 55.06 53.56 1j3j s HIS 551 Cb -0.16 -0.56 0.02 0.00 -1.43 0.00 0.00 32.58 30.45 1j3j s HIS 551 CO 0.11 -0.07 -0.15 0.08 -2.00 0.00 0.00 174.74 172.71 1j3j s VAL 552 N -3.48 1.55 0.31 -5.38 1.01 0.28 -0.88 120.40 113.81 1j3j s VAL 552 Ca 0.13 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1j3j s VAL 552 Cb 0.04 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1j3j s VAL 552 CO -0.03 0.45 1.18 -0.31 0.00 0.00 0.00 175.10 176.39 1j3j s TYR 553 N 1.18 3.35 0.41 5.22 2.02 -1.26 -0.78 117.35 127.49 1j3j s TYR 553 Ca -0.02 1.59 0.13 0.00 -0.37 0.00 0.00 57.07 58.40 1j3j s TYR 553 Cb -0.14 -3.43 0.97 0.00 -0.40 0.00 0.00 41.96 38.96 1j3j s TYR 553 CO -0.05 -1.08 1.93 -0.91 -1.57 0.00 0.00 175.55 173.86 1j3j h ASN 554 N 3.56 0.46 0.51 2.29 2.35 -1.55 -0.56 115.58 122.65 1j3j h ASN 554 Ca -0.48 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1j3j h ASN 554 Cb 1.22 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1j3j h ASN 554 CO 0.66 0.25 0.00 0.59 -1.65 0.00 0.00 177.43 177.28 1j3j n ASN 555 N -4.49 0.65 0.07 5.81 3.02 -1.26 -2.72 115.26 116.33 1j3j n ASN 555 Ca 0.14 0.70 0.11 0.00 -0.03 0.00 0.00 54.58 55.50 1j3j n ASN 555 Cb 0.46 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1j3j n ASN 555 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1j3j n HIS 556 N -2.26 0.64 -0.28 3.10 8.25 -0.22 -4.44 115.22 120.02 1j3j n HIS 556 Ca 0.01 0.19 0.05 0.00 -0.26 0.00 0.00 57.72 57.70 1j3j n HIS 556 Cb 0.17 -0.78 0.14 0.00 1.12 0.00 0.00 29.99 30.64 1j3j n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3j h ILE 557 N 0.00 0.21 -0.39 1.59 2.04 -1.53 0.73 117.51 120.17 1j3j h ILE 557 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1j3j h ILE 557 Cb 0.96 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1j3j h ILE 557 CO 0.00 0.01 0.19 0.44 0.00 0.00 0.00 178.15 178.79 1j3j h ASP 558 N 0.03 0.51 -0.46 1.72 3.32 -1.81 -0.89 116.42 118.84 1j3j h ASP 558 Ca 0.42 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1j3j h ASP 558 Cb 0.71 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1j3j h ASP 558 CO -0.80 0.49 0.25 0.28 -1.72 0.00 0.00 179.24 177.74 1j3j h SER 559 N 0.49 0.57 -0.03 6.45 0.02 -1.46 -2.63 113.55 116.97 1j3j h SER 559 Ca 0.13 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1j3j h SER 559 Cb 0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1j3j h SER 559 CO -0.02 0.50 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.05 1j3j h LEU 560 N 0.60 0.20 -0.42 5.07 3.38 -0.68 0.61 115.31 124.07 1j3j h LEU 560 Ca 0.16 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1j3j h LEU 560 Cb 0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1j3j h LEU 560 CO -0.03 0.30 0.03 0.11 0.09 0.00 0.00 178.44 178.94 1j3j h LYS 561 N 0.21 0.73 -0.22 1.13 1.57 -0.82 0.16 116.57 119.33 1j3j h LYS 561 Ca 0.05 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1j3j h LYS 561 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1j3j h LYS 561 CO 0.01 0.79 0.10 0.82 -0.57 0.00 0.00 179.45 180.60 1j3j h ILE 562 N 0.57 1.14 -0.98 1.86 2.04 -1.05 -2.82 117.51 118.28 1j3j h ILE 562 Ca 0.12 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1j3j h ILE 562 Cb 0.44 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1j3j h ILE 562 CO 0.02 0.14 0.65 -0.61 0.00 0.00 0.00 178.15 178.35 1j3j h GLN 563 N 0.22 1.29 -0.06 2.37 4.15 -0.53 -2.34 115.11 120.21 1j3j h GLN 563 Ca 0.08 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1j3j h GLN 563 Cb 0.13 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 1j3j h GLN 563 CO -0.01 0.86 0.06 -0.07 -1.93 0.00 0.00 178.83 177.74 1j3j h LEU 564 N 1.33 0.00 -1.08 -2.39 4.07 -0.44 -1.73 115.31 115.07 1j3j h LEU 564 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1j3j h LEU 564 Cb -0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1j3j h LEU 564 CO -0.08 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.87 1j3j n ASN 565 N -3.93 1.62 -4.87 -0.43 3.02 -0.88 -4.31 115.26 105.49 1j3j n ASN 565 Ca -0.01 -1.67 -0.37 0.00 -0.03 0.00 0.00 54.58 52.50 1j3j n ASN 565 Cb 0.16 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 1j3j n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3j s ARG 566 N -1.82 3.65 -0.18 3.52 0.52 -0.65 -4.74 118.95 119.24 1j3j s ARG 566 Ca 0.33 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.44 1j3j s ARG 566 Cb 0.18 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1j3j s ARG 566 CO 0.27 0.71 0.46 0.42 0.02 0.00 0.00 175.30 177.18 1j3j s ILE 567 N -1.13 5.17 0.58 1.52 1.01 -1.26 -4.98 121.20 122.11 1j3j s ILE 567 Ca 0.22 0.85 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 1j3j s ILE 567 Cb -0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1j3j s ILE 567 CO 0.11 0.25 1.33 -2.65 0.00 0.00 0.00 174.94 173.98 1j3j n PRO 568 N 4.35 1.49 -3.49 2.79 -0.02 -1.26 -4.90 135.00 133.96 1j3j n PRO 568 Ca -0.07 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 1j3j n PRO 568 Cb 0.51 -2.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1j3j n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j3j s TYR 569 N -1.32 3.18 0.35 6.00 2.02 -1.26 -5.04 117.35 121.27 1j3j s TYR 569 Ca 0.75 -0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.03 1j3j s TYR 569 Cb -0.40 -1.97 -0.11 0.00 -0.40 0.00 0.00 41.96 39.08 1j3j s TYR 569 CO 0.46 0.02 1.48 -1.25 -1.57 0.00 0.00 175.55 174.69 1j3j s PRO 570 N -4.19 4.15 0.99 -1.71 0.04 -1.26 -4.87 135.00 128.15 1j3j s PRO 570 Ca 0.44 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.88 1j3j s PRO 570 Cb -0.09 -3.00 0.19 0.00 0.04 0.00 0.00 34.50 31.63 1j3j s PRO 570 CO 0.32 -0.50 1.11 -0.06 0.04 0.00 0.00 177.00 177.91 1j3j s PHE 571 N -0.83 1.51 0.14 0.56 0.08 -1.26 -4.63 117.98 113.55 1j3j s PHE 571 Ca 0.55 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.24 1j3j s PHE 571 Cb -0.46 -3.28 0.03 0.00 -0.57 0.00 0.00 43.02 38.74 1j3j s PHE 571 CO 0.58 -3.14 0.19 -0.35 -0.10 0.00 0.00 175.22 172.39 1j3j n PRO 572 N -4.45 0.52 -4.38 0.24 -0.04 -1.25 -4.85 135.00 120.78 1j3j n PRO 572 Ca 0.09 -0.53 -0.20 0.00 -0.04 0.00 0.00 63.50 62.83 1j3j n PRO 572 Cb 0.53 -0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 33.76 1j3j n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3j s THR 573 N -0.34 1.53 -0.10 0.52 -4.23 -0.16 -1.50 115.64 111.37 1j3j s THR 573 Ca 0.13 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1j3j s THR 573 Cb -0.01 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1j3j s THR 573 CO 0.08 -0.39 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.36 1j3j s LEU 574 N -3.38 2.35 -0.16 4.79 2.96 -1.26 -0.66 118.68 123.32 1j3j s LEU 574 Ca 0.27 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1j3j s LEU 574 Cb 0.03 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.25 1j3j s LEU 574 CO 0.10 0.19 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.37 1j3j s LYS 575 N 0.15 3.05 0.04 1.98 2.20 0.15 -4.98 119.74 122.32 1j3j s LYS 575 Ca -0.11 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1j3j s LYS 575 Cb -0.16 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1j3j s LYS 575 CO 0.06 -0.09 0.12 -0.51 -0.36 0.00 0.00 175.35 174.58 1j3j s LEU 576 N 1.02 4.04 -0.09 5.43 1.43 -1.26 -1.43 118.68 127.82 1j3j s LEU 576 Ca -0.02 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1j3j s LEU 576 Cb -0.15 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1j3j s LEU 576 CO -0.06 0.22 1.98 0.21 0.23 0.00 0.00 176.35 178.93 1j3j s ASN 577 N -2.15 6.13 0.38 2.29 3.84 -0.40 -4.84 114.94 120.20 1j3j s ASN 577 Ca 0.28 2.25 0.27 0.00 0.21 0.00 0.00 52.86 55.87 1j3j s ASN 577 Cb -0.12 -2.52 1.33 0.00 -0.55 0.00 0.00 41.25 39.38 1j3j s ASN 577 CO 0.20 -1.37 1.82 1.55 -2.79 0.00 0.00 177.10 176.52 1j3j h PRO 578 N 11.99 0.00 0.00 0.43 0.13 -1.95 -2.97 132.00 139.63 1j3j h PRO 578 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1j3j h PRO 578 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1j3j h PRO 578 CO 0.96 0.00 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.19 1j3j h ASP 579 N 0.00 0.00 -3.01 1.44 3.32 -2.01 -3.43 116.42 112.73 1j3j h ASP 579 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1j3j h ASP 579 Cb 0.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1j3j h ASP 579 CO 0.00 0.10 1.11 -0.63 -1.72 0.00 0.00 179.24 178.09 1j3j s ILE 580 N -3.43 3.81 -0.59 0.35 -1.09 -1.12 -4.83 121.20 114.30 1j3j s ILE 580 Ca 0.03 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.38 1j3j s ILE 580 Cb 0.08 -3.96 0.12 0.00 -1.58 0.00 0.00 42.46 37.12 1j3j s ILE 580 CO 0.63 -0.52 0.97 0.29 -1.23 0.00 0.00 174.94 175.07 1j3j n LYS 581 N 7.90 1.76 -4.27 2.79 4.76 -1.26 -4.59 118.16 125.25 1j3j n LYS 581 Ca 0.18 -1.44 -0.26 0.00 -2.87 0.00 0.00 58.31 53.92 1j3j n LYS 581 Cb 0.47 -1.13 -0.17 0.00 -1.84 0.00 0.00 35.03 32.36 1j3j n LYS 581 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1j3j s ASN 582 N -0.81 2.07 0.57 4.39 3.84 -1.26 -4.69 114.94 119.05 1j3j s ASN 582 Ca 0.10 -0.33 0.35 0.00 0.21 0.00 0.00 52.86 53.20 1j3j s ASN 582 Cb 0.06 -0.89 1.44 0.00 -0.55 0.00 0.00 41.25 41.31 1j3j s ASN 582 CO 0.08 -0.03 1.69 -0.29 -2.79 0.00 0.00 177.10 175.75 1j3j h ILE 583 N 6.05 0.25 -0.00 -5.21 6.09 -1.92 0.21 117.51 122.98 1j3j h ILE 583 Ca -0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1j3j h ILE 583 Cb 1.16 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.76 1j3j h ILE 583 CO 0.46 0.00 -0.29 -0.62 -3.07 0.00 0.00 178.15 174.63 1j3j n GLU 584 N -3.84 0.49 -0.13 2.19 1.02 -1.26 -4.17 120.64 114.94 1j3j n GLU 584 Ca 0.24 -0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.23 1j3j n GLU 584 Cb 1.30 -1.49 0.30 0.00 -0.02 0.00 0.00 31.44 31.53 1j3j n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3j n ASP 585 N -1.03 2.28 -4.77 1.62 8.00 0.73 -4.94 116.55 118.44 1j3j n ASP 585 Ca 0.10 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.38 1j3j n ASP 585 Cb 0.33 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1j3j n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3j s PHE 586 N -1.65 3.42 0.09 1.24 0.08 -1.26 -5.01 117.98 114.90 1j3j s PHE 586 Ca 0.34 1.68 0.04 0.00 0.12 0.00 0.00 56.93 59.10 1j3j s PHE 586 Cb 0.19 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1j3j s PHE 586 CO 0.27 -0.58 -0.10 0.95 -0.10 0.00 0.00 175.22 175.65 1j3j s THR 587 N -1.41 0.89 0.39 0.64 -4.23 -1.26 -5.03 115.64 105.63 1j3j s THR 587 Ca 0.51 -1.54 0.22 0.00 -1.18 0.00 0.00 61.69 59.71 1j3j s THR 587 Cb -0.27 -1.24 0.41 0.00 1.34 0.00 0.00 72.50 72.74 1j3j s THR 587 CO 0.34 -0.51 1.65 -0.29 -0.54 0.00 0.00 174.62 175.27 1j3j h ILE 588 N 3.74 0.22 0.00 2.99 6.09 -1.96 0.15 117.51 128.74 1j3j h ILE 588 Ca -0.37 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1j3j h ILE 588 Cb 1.19 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1j3j h ILE 588 CO 0.50 0.04 0.00 -1.54 -3.07 0.00 0.00 178.15 174.08 1j3j n SER 589 N -4.86 0.00 -0.09 2.19 3.41 -1.26 -2.87 113.62 110.14 1j3j n SER 589 Ca 0.34 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 1j3j n SER 589 Cb 1.20 -0.36 0.61 0.00 -0.26 0.00 0.00 64.21 65.40 1j3j n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3j n ASP 590 N -1.36 0.38 -4.51 4.04 8.00 0.54 -4.81 116.55 118.82 1j3j n ASP 590 Ca 0.07 -0.44 -0.34 0.00 0.71 0.00 0.00 54.79 54.79 1j3j n ASP 590 Cb 0.16 -0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.03 1j3j n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3j s PHE 591 N -2.54 2.98 -0.04 1.24 0.40 -1.14 -1.27 117.98 117.61 1j3j s PHE 591 Ca 0.27 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1j3j s PHE 591 Cb 0.20 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1j3j s PHE 591 CO 0.49 0.05 0.07 0.99 0.70 0.00 0.00 175.22 177.52 1j3j s THR 592 N 0.02 -0.11 -0.22 0.64 2.01 -0.51 -5.00 115.64 112.46 1j3j s THR 592 Ca -0.00 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 1j3j s THR 592 Cb -0.14 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1j3j s THR 592 CO 0.03 0.14 0.39 -0.63 -0.69 0.00 0.00 174.62 173.86 1j3j s ILE 593 N 1.76 5.19 -0.04 1.82 -1.09 -1.26 0.31 121.20 127.90 1j3j s ILE 593 Ca -0.01 0.66 0.04 0.00 -2.23 0.00 0.00 60.65 59.11 1j3j s ILE 593 Cb -0.12 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1j3j s ILE 593 CO -0.04 0.22 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.64 1j3j s GLN 594 N 1.56 2.43 -1.30 2.79 -0.21 0.17 -4.71 119.66 120.39 1j3j s GLN 594 Ca 0.18 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 54.76 1j3j s GLN 594 Cb -0.15 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1j3j s GLN 594 CO 0.08 0.61 1.09 0.09 -2.12 0.00 0.00 175.29 175.05 1j3j n ASN 595 N 2.21 -4.41 -4.58 5.90 3.02 -1.26 -0.98 115.26 115.16 1j3j n ASN 595 Ca -0.17 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 1j3j n ASN 595 Cb 0.52 -5.03 -0.03 0.00 -0.61 0.00 0.00 39.78 34.64 1j3j n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3j s TYR 596 N -3.34 2.76 -0.19 3.10 5.04 -1.26 -4.25 117.35 119.21 1j3j s TYR 596 Ca 0.33 0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 55.45 1j3j s TYR 596 Cb -0.15 -4.38 -0.02 0.00 0.35 0.00 0.00 41.96 37.76 1j3j s TYR 596 CO 0.73 -1.35 -0.03 0.08 -1.34 0.00 0.00 175.55 173.64 1j3j s VAL 597 N 4.49 3.70 0.15 3.14 1.01 -1.26 -5.06 120.40 126.56 1j3j s VAL 597 Ca 0.44 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1j3j s VAL 597 Cb -0.08 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1j3j s VAL 597 CO 0.28 0.44 0.24 -1.38 0.00 0.00 0.00 175.10 174.69 1j3j s HIS 598 N 0.98 0.46 0.72 5.22 -3.43 -1.26 -4.69 115.29 113.28 1j3j s HIS 598 Ca 0.01 -0.83 -0.11 0.00 -0.80 0.00 0.00 55.06 53.33 1j3j s HIS 598 Cb -0.15 -0.13 0.03 0.00 -1.43 0.00 0.00 32.58 30.91 1j3j s HIS 598 CO 0.01 -0.67 1.10 -1.01 -2.00 0.00 0.00 174.74 172.17 1j3j s HIS 599 N -3.97 3.21 0.68 0.38 3.76 -0.56 -4.98 115.29 113.81 1j3j s HIS 599 Ca 0.17 0.92 -0.15 0.00 -0.15 0.00 0.00 55.06 55.85 1j3j s HIS 599 Cb 0.04 -3.15 0.01 0.00 1.11 0.00 0.00 32.58 30.59 1j3j s HIS 599 CO -0.01 -1.31 1.16 -1.83 -0.85 0.00 0.00 174.74 171.90 1j3j s GLU 600 N -5.38 2.55 0.67 1.40 -1.05 -1.26 -3.34 118.70 112.28 1j3j s GLU 600 Ca 0.59 1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 56.81 1j3j s GLU 600 Cb -0.11 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.67 1j3j s GLU 600 CO 0.50 -1.48 1.10 0.36 0.95 0.00 0.00 175.26 176.69 1j3j n LYS 601 N -2.46 0.81 -4.34 -4.83 2.85 -1.26 -4.03 118.16 104.90 1j3j n LYS 601 Ca 0.12 0.33 -0.19 0.00 -1.05 0.00 0.00 58.31 57.52 1j3j n LYS 601 Cb 0.51 -2.34 -0.14 0.00 -0.65 0.00 0.00 35.03 32.42 1j3j n LYS 601 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1j3j s ILE 602 N -1.60 0.84 -0.27 0.58 1.01 -1.26 -4.87 121.20 115.63 1j3j s ILE 602 Ca 0.78 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 1j3j s ILE 602 Cb -0.37 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1j3j s ILE 602 CO 0.45 0.06 0.11 -0.94 0.00 0.00 0.00 174.94 174.63 1j3j s SER 603 N -0.71 5.38 0.25 3.58 1.04 -1.26 -4.95 113.70 117.03 1j3j s SER 603 Ca 0.01 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1j3j s SER 603 Cb -0.06 -1.97 0.49 0.00 0.10 0.00 0.00 66.02 64.57 1j3j s SER 603 CO 0.00 -0.09 1.74 0.24 0.98 0.00 0.00 173.24 176.11 1j3j h MET 604 N 8.29 0.48 -4.85 4.02 0.00 -1.93 -3.32 114.93 117.61 1j3j h MET 604 Ca -0.36 -0.03 -0.69 0.00 0.00 0.00 0.00 59.70 58.62 1j3j h MET 604 Cb 1.17 -0.11 -0.19 0.00 0.00 0.00 0.00 31.60 32.47 1j3j h MET 604 CO 0.58 0.32 -0.19 0.34 0.00 0.00 0.00 176.91 177.96 1j3j s ASP 605 N -5.36 6.20 -0.01 1.22 2.15 -1.26 -4.19 116.67 115.41 1j3j s ASP 605 Ca -0.12 -0.73 0.02 0.00 0.43 0.00 0.00 52.55 52.15 1j3j s ASP 605 Cb 0.21 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.69 1j3j s ASP 605 CO 0.77 -0.62 0.90 0.23 -0.17 0.00 0.00 175.17 176.29 1j3j n MET 606 N 5.64 1.31 -0.18 4.34 2.81 -1.25 -4.31 117.12 125.48 1j3j n MET 606 Ca -0.07 -0.35 -0.10 0.00 -1.81 0.00 0.00 57.70 55.37 1j3j n MET 606 Cb 0.47 -1.27 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 1j3j n MET 606 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1j3j h ALA 607 N 2.80 0.70 0.00 3.04 0.00 -1.92 -3.52 119.26 120.36 1j3j h ALA 607 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1j3j h ALA 607 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j3j h ALA 607 CO 0.02 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.84