#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dga n ASP 282 N 0.00 0.00 0.00 1.67 8.00 -1.26 -5.05 116.55 119.91 3dga n ASP 282 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3dga n ASP 282 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3dga n ASP 282 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dga n ASP 283 N -0.02 0.33 0.04 -2.24 10.43 -1.26 -5.09 116.55 118.75 3dga n ASP 283 Ca 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.22 3dga n ASP 283 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 3dga n ASP 283 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 3dga h ASP 284 N 0.00 0.26 -1.28 -2.24 -0.00 -2.03 -3.37 116.42 107.75 3dga h ASP 284 Ca 0.00 -0.39 0.44 0.00 -0.00 0.00 0.00 57.03 57.08 3dga h ASP 284 Cb 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 39.33 39.12 3dga h ASP 284 CO 0.00 1.33 0.83 -1.84 -0.00 0.00 0.00 179.24 179.56 3dga n GLU 285 N -3.36 -0.03 0.00 4.15 0.28 -1.26 0.27 120.64 120.69 3dga n GLU 285 Ca -0.16 1.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.98 3dga n GLU 285 Cb 1.03 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.65 3dga n GLU 285 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dga n GLU 286 N -4.50 0.00 0.11 3.44 4.07 -1.26 0.13 120.64 122.63 3dga n GLU 286 Ca 0.37 0.30 0.12 0.00 -0.06 0.00 0.00 57.16 57.88 3dga n GLU 286 Cb 1.45 -1.51 0.02 0.00 -0.06 0.00 0.00 31.44 31.34 3dga n GLU 286 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3dga h GLU 287 N 0.00 0.00 -0.02 5.31 5.08 0.35 -3.28 114.58 122.02 3dga h GLU 287 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3dga h GLU 287 Cb 0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.28 3dga h GLU 287 CO 0.00 0.00 -0.97 -0.44 -1.00 0.00 0.00 179.01 176.60 3dga h ASP 288 N 0.00 0.88 -0.54 1.42 5.19 0.94 -3.01 116.42 121.31 3dga h ASP 288 Ca 0.00 -0.73 0.10 0.00 -0.62 0.00 0.00 57.03 55.78 3dga h ASP 288 Cb 0.98 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 3dga h ASP 288 CO 0.00 1.49 0.36 0.44 -3.12 0.00 0.00 179.24 178.42 3dga h ASP 289 N 0.36 0.27 -0.58 6.45 3.32 -1.60 0.17 116.42 124.81 3dga h ASP 289 Ca -0.12 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3dga h ASP 289 Cb 1.63 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 3dga h ASP 289 CO 0.19 0.16 0.21 0.15 -1.72 0.00 0.00 179.24 178.23 3dga h PHE 290 N 0.30 0.95 -0.24 4.55 3.57 -1.58 -2.38 116.94 122.10 3dga h PHE 290 Ca 0.25 -0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 3dga h PHE 290 Cb 0.58 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3dga h PHE 290 CO -0.00 0.75 -0.51 0.28 -2.23 0.00 0.00 178.31 176.60 3dga h VAL 291 N 0.90 1.30 -0.18 1.41 2.07 -0.68 -2.98 116.25 118.09 3dga h VAL 291 Ca 0.21 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3dga h VAL 291 Cb 0.24 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3dga h VAL 291 CO -0.01 0.55 0.08 1.88 0.02 0.00 0.00 177.57 180.09 3dga h TYR 292 N 0.53 0.27 0.00 1.57 0.05 -1.14 -2.23 116.97 116.02 3dga h TYR 292 Ca 0.02 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dga h TYR 292 Cb 1.07 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 3dga h TYR 292 CO 0.05 0.31 -0.00 0.74 -1.05 0.00 0.00 178.16 178.22 3dga h PHE 293 N 0.15 0.00 -0.58 4.88 -1.00 -1.43 0.26 116.94 119.22 3dga h PHE 293 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3dga h PHE 293 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 3dga h PHE 293 CO -0.02 0.00 0.00 0.09 -1.61 0.00 0.00 178.31 176.77 3dga n ASN 294 N -3.13 5.69 0.29 2.17 3.02 -0.85 -4.54 115.26 117.92 3dga n ASN 294 Ca -0.03 -2.90 0.17 0.00 -0.03 0.00 0.00 54.58 51.79 3dga n ASN 294 Cb 0.08 -0.68 0.88 0.00 -0.61 0.00 0.00 39.78 39.45 3dga n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3dga h PHE 295 N 4.01 0.00 -0.00 3.10 -0.00 -0.80 -3.08 116.94 120.16 3dga h PHE 295 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3dga h PHE 295 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.90 3dga h PHE 295 CO 1.08 0.05 -0.76 -1.71 -0.00 0.00 0.00 178.31 176.97 3dga n ASN 296 N -3.34 1.13 -3.82 -0.68 5.15 -1.26 -5.02 115.26 107.41 3dga n ASN 296 Ca -0.02 -1.06 -0.26 0.00 -0.60 0.00 0.00 54.58 52.64 3dga n ASN 296 Cb 0.20 0.87 0.21 0.00 -0.53 0.00 0.00 39.78 40.52 3dga n ASN 296 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3dga n LYS 297 N -1.09 -2.77 -3.21 1.20 4.76 -1.17 -4.96 118.16 110.93 3dga n LYS 297 Ca 0.05 -0.81 -0.39 0.00 -2.87 0.00 0.00 58.31 54.29 3dga n LYS 297 Cb 0.32 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 3dga n LYS 297 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3dga s GLU 298 N -3.95 4.37 -0.32 1.97 0.41 -1.26 -5.01 118.70 114.90 3dga s GLU 298 Ca 0.53 0.64 0.15 0.00 -0.41 0.00 0.00 54.97 55.88 3dga s GLU 298 Cb -0.12 -3.42 0.47 0.00 -1.78 0.00 0.00 34.13 29.27 3dga s GLU 298 CO 0.52 0.16 1.07 1.17 -0.49 0.00 0.00 175.26 177.69 3dga n LYS 299 N 3.56 2.19 -4.30 1.61 4.81 -1.26 -5.08 118.16 119.69 3dga n LYS 299 Ca -0.05 -3.74 -0.35 0.00 -0.87 0.00 0.00 58.31 53.30 3dga n LYS 299 Cb 0.51 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.75 3dga n LYS 299 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3dga s GLU 300 N -3.47 3.11 0.06 1.64 2.02 -1.26 -5.02 118.70 115.77 3dga s GLU 300 Ca 0.35 -0.37 -0.36 0.00 0.02 0.00 0.00 54.97 54.61 3dga s GLU 300 Cb 0.40 -2.87 -0.20 0.00 0.10 0.00 0.00 34.13 31.57 3dga s GLU 300 CO -0.03 0.68 1.57 0.93 0.02 0.00 0.00 175.26 178.43 3dga h GLU 301 N 5.26 -1.13 -4.83 1.61 4.39 -2.06 -3.25 114.58 114.56 3dga h GLU 301 Ca -0.50 0.08 -0.53 0.00 0.34 0.00 0.00 59.36 58.74 3dga h GLU 301 Cb 1.20 0.26 0.03 0.00 -0.10 0.00 0.00 28.75 30.14 3dga h GLU 301 CO 0.56 -0.75 1.79 0.36 -1.16 0.00 0.00 179.01 179.80 3dga n LYS 302 N -5.59 1.34 -1.10 2.33 2.85 -1.26 -4.92 118.16 111.82 3dga n LYS 302 Ca -0.15 -1.94 -0.35 0.00 -1.05 0.00 0.00 58.31 54.81 3dga n LYS 302 Cb 0.47 -3.14 0.08 0.00 -0.65 0.00 0.00 35.03 31.78 3dga n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3dga n ASN 303 N 10.00 -2.20 -0.25 -5.58 2.85 -1.23 -4.74 115.26 114.11 3dga n ASN 303 Ca 0.48 0.47 0.24 0.00 -0.11 0.00 0.00 54.58 55.66 3dga n ASN 303 Cb 0.43 -1.13 0.44 0.00 1.24 0.00 0.00 39.78 40.75 3dga n ASN 303 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3dga n LYS 304 N -0.45 -0.04 -4.42 1.20 4.81 -1.26 -4.40 118.16 113.60 3dga n LYS 304 Ca 0.07 0.98 -0.34 0.00 -0.87 0.00 0.00 58.31 58.15 3dga n LYS 304 Cb 0.51 -1.79 -0.11 0.00 0.02 0.00 0.00 35.03 33.66 3dga n LYS 304 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3dga s ASN 305 N -4.59 4.89 -0.39 3.14 0.02 -1.25 -5.02 114.94 111.73 3dga s ASN 305 Ca -0.06 -0.05 -0.03 0.00 -1.02 0.00 0.00 52.86 51.70 3dga s ASN 305 Cb 0.24 -1.62 -0.04 0.00 0.02 0.00 0.00 41.25 39.85 3dga s ASN 305 CO 0.57 0.24 1.55 -1.54 0.02 0.00 0.00 177.10 177.95 3dga n SER 306 N 3.03 2.40 -4.08 -1.22 3.41 -1.26 -4.81 113.62 111.09 3dga n SER 306 Ca -0.18 -2.10 -0.21 0.00 -0.26 0.00 0.00 58.87 56.13 3dga n SER 306 Cb 0.53 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 3dga n SER 306 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dga s ILE 307 N 3.84 0.97 -0.53 -1.33 1.01 -1.26 -5.10 121.20 118.79 3dga s ILE 307 Ca 0.21 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3dga s ILE 307 Cb 0.06 -0.82 0.13 0.00 0.01 0.00 0.00 42.46 41.84 3dga s ILE 307 CO -0.01 0.24 0.45 -1.00 0.00 0.00 0.00 174.94 174.62 3dga s HIS 308 N -0.35 3.37 -0.16 3.97 3.76 -1.26 -4.94 115.29 119.68 3dga s HIS 308 Ca 0.04 -1.64 0.00 0.00 -0.15 0.00 0.00 55.06 53.31 3dga s HIS 308 Cb -0.05 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.98 3dga s HIS 308 CO -0.00 -1.00 0.35 -2.30 -0.85 0.00 0.00 174.74 170.93 3dga n PRO 309 N 4.95 0.00 0.25 8.40 -0.02 -1.26 -1.21 135.00 146.12 3dga n PRO 309 Ca -0.09 0.03 0.17 0.00 -2.02 0.00 0.00 63.50 61.60 3dga n PRO 309 Cb 0.41 -1.76 0.86 0.00 -0.02 0.00 0.00 33.50 32.99 3dga n PRO 309 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3dga h ASN 310 N 0.00 0.00 0.76 2.55 2.35 -2.00 -0.25 115.58 118.99 3dga h ASN 310 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3dga h ASN 310 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3dga h ASN 310 CO 0.00 0.00 -1.29 0.44 -1.65 0.00 0.00 177.43 174.93 3dga h ASP 311 N 0.00 0.09 -0.33 5.81 3.32 -1.59 -3.20 116.42 120.51 3dga h ASP 311 Ca 0.00 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.76 3dga h ASP 311 Cb 0.13 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 3dga h ASP 311 CO 0.00 1.09 0.23 0.49 -1.72 0.00 0.00 179.24 179.33 3dga n PHE 312 N -3.30 1.02 -0.08 4.55 3.72 -0.11 -4.53 117.46 118.74 3dga n PHE 312 Ca -0.08 -1.09 -0.08 0.00 -0.05 0.00 0.00 57.45 56.16 3dga n PHE 312 Cb 0.99 -0.55 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 3dga n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3dga h GLN 313 N 0.53 -0.23 -0.01 -1.08 4.15 -1.55 0.08 115.11 117.00 3dga h GLN 313 Ca 0.21 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3dga h GLN 313 Cb 1.48 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.22 3dga h GLN 313 CO 0.40 -0.16 0.00 0.82 -1.93 0.00 0.00 178.83 177.97 3dga h ILE 314 N -0.24 1.14 -0.61 2.39 2.04 -1.89 -1.47 117.51 118.86 3dga h ILE 314 Ca 0.16 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.74 3dga h ILE 314 Cb 0.49 1.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.86 3dga h ILE 314 CO -0.45 0.11 -0.04 0.22 0.00 0.00 0.00 178.15 177.99 3dga h TYR 315 N -0.15 -0.11 0.00 1.37 3.20 -1.60 -1.54 116.97 118.14 3dga h TYR 315 Ca 0.00 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3dga h TYR 315 Cb 0.17 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3dga h TYR 315 CO -0.02 -0.19 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.14 3dga h ASN 316 N 0.08 0.00 0.46 -2.11 2.35 -0.95 -3.11 115.58 112.31 3dga h ASN 316 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3dga h ASN 316 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3dga h ASN 316 CO -0.55 0.26 0.00 -1.54 -1.65 0.00 0.00 177.43 173.95 3dga n SER 317 N -3.20 0.00 -4.72 5.81 3.41 -0.56 -4.72 113.62 109.63 3dga n SER 317 Ca 0.02 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 3dga n SER 317 Cb 0.59 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3dga n SER 317 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dga s LEU 318 N -2.62 4.45 -0.07 1.04 1.43 -1.13 -4.98 118.68 116.81 3dga s LEU 318 Ca 0.20 1.69 -0.04 0.00 -1.03 0.00 0.00 54.13 54.96 3dga s LEU 318 Cb 0.15 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3dga s LEU 318 CO 0.35 -0.11 -0.08 0.50 0.23 0.00 0.00 176.35 177.24 3dga h LYS 319 N 5.96 0.00 -4.98 1.70 1.63 -1.90 -3.46 116.57 115.53 3dga h LYS 319 Ca -0.42 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 58.73 3dga h LYS 319 Cb 1.21 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.62 3dga h LYS 319 CO 0.73 0.00 -0.61 0.71 -3.45 0.00 0.00 179.45 176.82 3dga s TYR 320 N -1.59 3.10 -0.64 1.91 2.02 -1.26 -5.02 117.35 115.87 3dga s TYR 320 Ca -0.06 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 3dga s TYR 320 Cb 0.01 -2.23 0.21 0.00 -0.40 0.00 0.00 41.96 39.55 3dga s TYR 320 CO 0.09 -0.31 0.62 1.63 -1.57 0.00 0.00 175.55 176.02 3dga n LYS 321 N 4.81 2.06 0.00 -0.62 5.02 -1.26 -4.89 118.16 123.28 3dga n LYS 321 Ca -0.16 -4.46 0.13 0.00 -2.02 0.00 0.00 58.31 51.79 3dga n LYS 321 Cb 0.52 -2.19 0.32 0.00 -0.02 0.00 0.00 35.03 33.65 3dga n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dga n TYR 322 N 1.40 0.00 -1.98 2.13 4.01 -1.26 -4.85 117.16 116.61 3dga n TYR 322 Ca 0.26 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 3dga n TYR 322 Cb 0.40 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3dga n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3dga s HIS 323 N -2.22 3.02 0.49 -0.72 2.46 -1.26 -4.87 115.29 112.19 3dga s HIS 323 Ca 0.29 0.66 0.32 0.00 0.47 0.00 0.00 55.06 56.79 3dga s HIS 323 Cb 0.20 -3.88 1.42 0.00 -0.13 0.00 0.00 32.58 30.19 3dga s HIS 323 CO 0.42 -3.26 1.75 -1.35 -2.47 0.00 0.00 174.74 169.84 3dga h PRO 324 N 6.99 0.12 -0.18 2.88 0.11 -1.97 0.31 132.00 140.27 3dga h PRO 324 Ca -0.42 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 3dga h PRO 324 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dga h PRO 324 CO 0.91 0.08 0.22 1.49 -0.21 0.00 0.00 178.00 180.49 3dga h GLU 325 N 0.13 0.00 0.00 1.05 4.81 -1.97 0.06 114.58 118.66 3dga h GLU 325 Ca 0.63 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 3dga h GLU 325 Cb 2.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.58 3dga h GLU 325 CO -0.14 0.00 0.00 1.88 -0.73 0.00 0.00 179.01 180.02 3dga h TYR 326 N 0.00 0.00 -0.36 0.92 0.05 -1.25 -1.52 116.97 114.81 3dga h TYR 326 Ca 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3dga h TYR 326 Cb 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3dga h TYR 326 CO 0.00 0.00 0.04 1.96 -1.05 0.00 0.00 178.16 179.11 3dga h GLN 327 N 0.00 0.54 0.20 4.88 4.20 -1.17 0.42 115.11 124.18 3dga h GLN 327 Ca 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3dga h GLN 327 Cb 0.36 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dga h GLN 327 CO 0.00 0.54 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.69 3dga h TYR 328 N 0.53 -0.24 -0.67 2.96 3.20 -1.46 -3.24 116.97 118.04 3dga h TYR 328 Ca 0.12 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.13 3dga h TYR 328 Cb 0.28 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.52 3dga h TYR 328 CO 0.01 -0.05 0.04 -0.07 -1.64 0.00 0.00 178.16 176.46 3dga h LEU 329 N -1.04 -0.22 -1.49 2.82 3.38 -1.21 -0.34 115.31 117.21 3dga h LEU 329 Ca -0.03 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dga h LEU 329 Cb 0.31 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3dga h LEU 329 CO 0.04 -0.11 0.30 0.78 0.09 0.00 0.00 178.44 179.54 3dga h ASN 330 N 0.15 0.56 -0.38 -0.43 2.35 -0.31 -0.12 115.58 117.41 3dga h ASN 330 Ca 0.36 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 3dga h ASN 330 Cb 0.61 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3dga h ASN 330 CO -0.55 0.43 -0.09 0.40 -1.65 0.00 0.00 177.43 175.97 3dga h ILE 331 N 0.66 1.28 -0.90 2.81 2.04 -1.11 0.10 117.51 122.39 3dga h ILE 331 Ca 0.17 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3dga h ILE 331 Cb -0.04 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3dga h ILE 331 CO -0.03 0.38 0.57 0.40 0.00 0.00 0.00 178.15 179.47 3dga h ILE 332 N 0.52 1.24 -0.31 -0.67 2.04 -0.68 0.28 117.51 119.93 3dga h ILE 332 Ca 0.10 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3dga h ILE 332 Cb 0.60 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3dga h ILE 332 CO 0.04 0.25 0.04 0.22 0.00 0.00 0.00 178.15 178.69 3dga h TYR 333 N 1.24 0.56 -0.34 1.37 3.20 -0.74 -1.43 116.97 120.83 3dga h TYR 333 Ca 0.33 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3dga h TYR 333 Cb -0.09 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3dga h TYR 333 CO -0.00 0.61 0.17 0.22 -1.64 0.00 0.00 178.16 177.53 3dga h ASP 334 N 0.35 0.43 -0.32 -2.11 3.58 -0.28 0.20 116.42 118.27 3dga h ASP 334 Ca 0.09 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 3dga h ASP 334 Cb 0.36 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3dga h ASP 334 CO 0.01 0.42 0.04 0.40 -2.88 0.00 0.00 179.24 177.23 3dga h ILE 335 N 0.42 1.21 -0.34 2.25 2.04 -0.92 0.33 117.51 122.50 3dga h ILE 335 Ca 0.12 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 3dga h ILE 335 Cb 0.09 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3dga h ILE 335 CO -0.02 0.28 -0.31 0.24 0.00 0.00 0.00 178.15 178.34 3dga h MET 336 N 0.61 0.81 0.00 2.37 2.86 -0.71 0.42 114.93 121.28 3dga h MET 336 Ca 0.13 -0.42 -0.19 0.00 -2.06 0.00 0.00 59.70 57.16 3dga h MET 336 Cb 0.32 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3dga h MET 336 CO 0.01 1.05 -0.98 0.52 1.06 0.00 0.00 176.91 178.57 3dga h MET 337 N 0.59 0.00 0.00 1.72 2.86 -0.31 -3.40 114.93 116.39 3dga h MET 337 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3dga h MET 337 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3dga h MET 337 CO 0.08 0.81 0.00 0.09 1.06 0.00 0.00 176.91 178.95 3dga n ASN 338 N -3.27 0.66 -4.74 1.22 3.02 0.11 -3.92 115.26 108.35 3dga n ASN 338 Ca -0.02 -1.13 -0.37 0.00 -0.03 0.00 0.00 54.58 53.04 3dga n ASN 338 Cb 0.90 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.13 3dga n ASN 338 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dga s GLY 339 N -0.13 2.84 -0.01 7.41 0.00 0.15 -4.96 107.32 112.62 3dga s GLY 339 Ca 0.00 1.19 -0.22 0.00 0.00 0.00 0.00 44.72 45.68 3dga s GLY 339 CO 0.00 1.62 0.67 -1.31 0.00 0.00 0.00 173.10 174.08 3dga s ASN 340 N -1.36 7.03 -0.11 1.64 0.01 -0.58 -4.69 114.94 116.89 3dga s ASN 340 Ca 0.79 1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 53.88 3dga s ASN 340 Cb -0.36 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 3dga s ASN 340 CO 0.39 0.01 1.29 -0.54 -1.51 0.00 0.00 177.10 176.75 3dga s LYS 341 N 0.15 4.26 0.04 -0.60 1.02 -1.26 -1.61 119.74 121.75 3dga s LYS 341 Ca 0.35 1.74 -0.00 0.00 0.02 0.00 0.00 55.97 58.07 3dga s LYS 341 Cb -0.19 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 3dga s LYS 341 CO 0.19 -0.64 -0.04 -0.65 -0.92 0.00 0.00 175.35 173.29 3dga s GLN 342 N 3.10 0.53 0.59 1.68 -0.21 -0.41 -5.01 119.66 119.93 3dga s GLN 342 Ca 0.57 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.96 3dga s GLN 342 Cb -0.24 0.11 0.06 0.00 1.00 0.00 0.00 33.01 33.94 3dga s GLN 342 CO 0.19 -0.07 0.82 -1.54 -2.12 0.00 0.00 175.29 172.56 3dga s SER 343 N -2.40 5.02 0.36 5.90 1.04 -1.26 -0.58 113.70 121.78 3dga s SER 343 Ca -0.01 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 3dga s SER 343 Cb 0.01 -0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.70 3dga s SER 343 CO -0.06 -1.34 0.62 1.51 0.98 0.00 0.00 173.24 174.96 3dga s ASP 344 N -4.54 0.50 0.00 7.02 -4.77 -1.26 -4.79 116.67 108.83 3dga s ASP 344 Ca 0.60 -1.33 0.00 0.00 -3.30 0.00 0.00 52.55 48.53 3dga s ASP 344 Cb -0.08 0.75 0.00 0.00 -1.09 0.00 0.00 42.92 42.50 3dga s ASP 344 CO 0.40 -1.48 0.67 -1.14 0.70 0.00 0.00 175.17 174.31 3dga n ARG 345 N -0.55 0.00 -0.01 2.11 0.63 -1.26 0.04 116.66 117.62 3dga n ARG 345 Ca -0.03 0.22 0.02 0.00 -0.92 0.00 0.00 57.85 57.13 3dga n ARG 345 Cb 0.61 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.81 3dga n ARG 345 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3dga n THR 346 N -1.17 0.08 0.00 5.15 -2.24 -1.26 -5.01 114.28 109.83 3dga n THR 346 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3dga n THR 346 Cb 0.17 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3dga n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dga n GLY 347 N 2.31 3.14 0.40 3.38 0.00 0.11 -4.87 105.19 109.65 3dga n GLY 347 Ca -0.03 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.24 3dga n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dga h VAL 348 N 0.00 0.42 0.00 1.61 2.07 -1.95 -3.43 116.25 114.97 3dga h VAL 348 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3dga h VAL 348 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3dga h VAL 348 CO 0.00 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.26 3dga n GLY 349 N -1.44 0.71 3.49 2.17 0.00 -1.26 -4.66 105.19 104.20 3dga n GLY 349 Ca 0.28 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 3dga n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dga s VAL 350 N -1.67 0.00 -0.11 1.61 -7.23 0.25 -2.00 120.40 111.25 3dga s VAL 350 Ca 0.00 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3dga s VAL 350 Cb 0.00 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.45 3dga s VAL 350 CO 0.00 0.00 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.83 3dga s LEU 351 N -3.16 1.96 0.03 1.32 1.43 -0.72 -1.29 118.68 118.25 3dga s LEU 351 Ca 0.29 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3dga s LEU 351 Cb 0.00 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 3dga s LEU 351 CO 0.16 0.09 0.00 -0.94 0.23 0.00 0.00 176.35 175.88 3dga s SER 352 N 0.68 0.29 0.24 2.29 1.04 -0.63 -0.66 113.70 116.95 3dga s SER 352 Ca -0.12 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.70 3dga s SER 352 Cb -0.16 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 3dga s SER 352 CO 0.02 -0.43 0.04 -0.54 0.98 0.00 0.00 173.24 173.31 3dga s LYS 353 N -2.39 1.35 -0.13 4.02 -0.14 0.21 -1.52 119.74 121.14 3dga s LYS 353 Ca -0.07 -1.70 0.01 0.00 -1.36 0.00 0.00 55.97 52.84 3dga s LYS 353 Cb -0.03 -0.47 0.02 0.00 -1.68 0.00 0.00 37.83 35.67 3dga s LYS 353 CO -0.04 -0.17 -0.14 0.12 -0.76 0.00 0.00 175.35 174.36 3dga s PHE 354 N -3.55 2.01 0.00 3.18 5.36 -1.26 -1.35 117.98 122.36 3dga s PHE 354 Ca 0.31 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.24 3dga s PHE 354 Cb 0.07 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3dga s PHE 354 CO 0.10 -0.57 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 3dga n GLY 355 N 4.54 -1.54 3.26 13.12 0.00 -0.69 -5.03 105.19 118.85 3dga n GLY 355 Ca -0.17 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 3dga n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dga s TYR 356 N 0.00 -0.08 -0.02 1.61 2.02 -0.91 -4.98 117.35 115.00 3dga s TYR 356 Ca 0.00 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3dga s TYR 356 Cb 0.00 0.10 0.03 0.00 -0.40 0.00 0.00 41.96 41.69 3dga s TYR 356 CO 0.00 -0.55 0.03 -1.50 -1.57 0.00 0.00 175.55 171.96 3dga s ILE 357 N -3.07 -0.06 -0.00 2.71 2.07 -1.26 -1.20 121.20 120.39 3dga s ILE 357 Ca -0.01 0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.50 3dga s ILE 357 Cb 0.01 -0.08 -0.02 0.00 0.13 0.00 0.00 42.46 42.51 3dga s ILE 357 CO -0.07 0.08 -0.20 -0.04 -1.91 0.00 0.00 174.94 172.81 3dga s MET 358 N 1.02 1.58 -0.08 3.50 -1.94 0.44 -4.97 119.30 118.85 3dga s MET 358 Ca -0.08 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 3dga s MET 358 Cb -0.12 -1.56 0.02 0.00 2.01 0.00 0.00 34.83 35.18 3dga s MET 358 CO -0.03 0.42 -0.06 0.15 -0.01 0.00 0.00 175.02 175.49 3dga s LYS 359 N -0.61 1.19 -0.07 2.03 1.02 -1.26 -0.07 119.74 121.96 3dga s LYS 359 Ca 0.08 -0.17 0.04 0.00 0.02 0.00 0.00 55.97 55.93 3dga s LYS 359 Cb -0.08 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.99 3dga s LYS 359 CO -0.00 -0.17 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.03 3dga s PHE 360 N 1.35 2.64 -0.72 3.18 0.08 -0.88 -4.98 117.98 118.65 3dga s PHE 360 Ca -0.03 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.42 3dga s PHE 360 Cb -0.14 -1.66 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 3dga s PHE 360 CO -0.03 -0.01 0.86 0.34 -0.10 0.00 0.00 175.22 176.29 3dga s ASP 361 N -0.35 6.36 0.01 1.36 -1.08 -1.26 -1.76 116.67 119.95 3dga s ASP 361 Ca 0.03 -1.66 0.03 0.00 -0.52 0.00 0.00 52.55 50.43 3dga s ASP 361 Cb -0.12 -2.34 0.13 0.00 -1.46 0.00 0.00 42.92 39.13 3dga s ASP 361 CO 0.02 -1.10 1.09 0.18 0.52 0.00 0.00 175.17 175.89 3dga n LEU 362 N 6.35 0.02 0.15 -1.34 4.77 0.18 -1.35 117.00 125.79 3dga n LEU 362 Ca 0.03 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 3dga n LEU 362 Cb 0.45 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 41.14 3dga n LEU 362 CO 0.54 -0.47 0.43 0.77 -1.33 0.00 0.00 177.39 177.33 3dga h SER 363 N 0.00 0.00 0.00 -1.43 4.64 -1.70 -3.34 113.55 111.72 3dga h SER 363 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dga h SER 363 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dga h SER 363 CO 0.00 0.01 -1.13 0.00 -0.87 0.00 0.00 176.83 174.84 3dga n GLN 364 N -2.79 1.53 0.00 4.77 1.13 -0.46 -5.08 117.38 116.49 3dga n GLN 364 Ca 0.02 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3dga n GLN 364 Cb 0.53 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.67 3dga n GLN 364 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 3dga n TYR 365 N -1.65 0.00 -3.59 1.08 0.18 -0.99 -5.03 117.16 107.17 3dga n TYR 365 Ca -0.00 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 3dga n TYR 365 Cb 0.27 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.12 3dga n TYR 365 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 3dga s PHE 366 N -2.00 3.21 -0.73 -3.48 5.36 -1.06 -4.10 117.98 115.18 3dga s PHE 366 Ca 0.00 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.53 3dga s PHE 366 Cb 0.00 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 3dga s PHE 366 CO 0.00 -0.41 1.92 -0.35 -1.46 0.00 0.00 175.22 174.92 3dga n PRO 367 N 5.05 1.70 -3.35 10.12 -0.04 -1.26 -3.93 135.00 143.29 3dga n PRO 367 Ca -0.13 -1.26 -0.40 0.00 -0.04 0.00 0.00 63.50 61.66 3dga n PRO 367 Cb 0.49 -2.35 -0.09 0.00 -0.04 0.00 0.00 33.50 31.51 3dga n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dga s LEU 368 N 0.08 4.29 0.13 1.53 2.96 -1.26 -4.59 118.68 121.82 3dga s LEU 368 Ca 0.33 -0.01 -0.34 0.00 -0.22 0.00 0.00 54.13 53.89 3dga s LEU 368 Cb 0.09 -2.44 -0.17 0.00 0.50 0.00 0.00 46.19 44.16 3dga s LEU 368 CO -0.03 -0.33 1.01 0.18 -1.32 0.00 0.00 176.35 175.86 3dga n LEU 369 N 5.47 0.55 -0.00 -0.68 4.77 -1.26 -4.80 117.00 121.05 3dga n LEU 369 Ca -0.08 1.14 0.06 0.00 -0.03 0.00 0.00 56.01 57.11 3dga n LEU 369 Cb 0.50 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 3dga n LEU 369 CO 0.41 -1.80 -0.13 0.35 -1.33 0.00 0.00 177.39 174.89 3dga n THR 370 N 1.22 0.00 1.75 -5.08 -2.24 -1.26 -4.43 114.28 104.24 3dga n THR 370 Ca 0.17 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3dga n THR 370 Cb 0.20 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3dga n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dga n THR 371 N -1.41 0.00 -3.59 4.28 -2.24 -1.26 -0.44 114.28 109.62 3dga n THR 371 Ca 0.02 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3dga n THR 371 Cb 0.22 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 3dga n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dga s LYS 372 N -1.85 0.33 -0.09 -0.78 -2.85 -1.26 -4.74 119.74 108.49 3dga s LYS 372 Ca 0.00 -0.10 -0.25 0.00 -1.00 0.00 0.00 55.97 54.62 3dga s LYS 372 Cb 0.00 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 3dga s LYS 372 CO 0.00 -0.14 0.77 0.21 0.10 0.00 0.00 175.35 176.29 3dga s LYS 373 N -2.32 4.40 -0.05 1.78 2.20 -1.21 -4.56 119.74 119.98 3dga s LYS 373 Ca 0.09 0.97 0.06 0.00 -0.36 0.00 0.00 55.97 56.73 3dga s LYS 373 Cb -0.01 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 3dga s LYS 373 CO -0.05 -0.07 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.12 3dga s LEU 374 N 1.24 2.05 -0.10 5.43 1.43 -1.26 -4.82 118.68 122.65 3dga s LEU 374 Ca 0.39 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3dga s LEU 374 Cb -0.18 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3dga s LEU 374 CO 0.18 0.24 0.07 -0.36 0.23 0.00 0.00 176.35 176.71 3dga s PHE 375 N -0.17 3.39 -0.32 0.29 0.08 -1.26 -5.03 117.98 114.96 3dga s PHE 375 Ca -0.03 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.43 3dga s PHE 375 Cb -0.13 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3dga s PHE 375 CO 0.03 0.61 0.37 1.28 -0.10 0.00 0.00 175.22 177.41 3dga n LEU 376 N 2.07 0.72 0.14 -0.37 4.77 -1.26 -4.72 117.00 118.34 3dga n LEU 376 Ca -0.19 -0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 54.92 3dga n LEU 376 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3dga n LEU 376 CO 0.30 0.16 0.74 -0.09 -1.33 0.00 0.00 177.39 177.17 3dga h ARG 377 N 0.37 -0.40 -0.19 3.23 2.43 -1.99 -0.99 114.38 116.83 3dga h ARG 377 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3dga h ARG 377 Cb 0.12 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 3dga h ARG 377 CO 0.00 -0.26 -0.35 0.78 -1.51 0.00 0.00 179.97 178.63 3dga h GLY 378 N -0.41 -0.47 2.00 2.80 0.00 -1.95 -0.79 103.07 104.25 3dga h GLY 378 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 3dga h GLY 378 CO -0.05 -0.22 -0.25 0.16 0.00 0.00 0.00 176.54 176.19 3dga h ILE 379 N -0.39 1.16 -0.32 2.60 -0.00 -1.82 -0.69 117.51 118.06 3dga h ILE 379 Ca 0.11 -0.85 -0.16 0.00 -0.00 0.00 0.00 64.86 63.96 3dga h ILE 379 Cb 0.56 1.46 -0.00 0.00 -0.00 0.00 0.00 36.82 38.84 3dga h ILE 379 CO -0.41 0.24 -0.40 0.40 -0.00 0.00 0.00 178.15 177.98 3dga h ILE 380 N 0.00 1.28 -0.61 0.16 2.04 -0.42 -0.91 117.51 119.05 3dga h ILE 380 Ca -0.00 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 3dga h ILE 380 Cb 0.44 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3dga h ILE 380 CO 0.03 0.52 0.17 -0.33 0.00 0.00 0.00 178.15 178.54 3dga h GLU 381 N 0.63 0.94 -0.62 2.37 4.39 -0.71 -0.10 114.58 121.49 3dga h GLU 381 Ca 0.04 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3dga h GLU 381 Cb 1.00 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3dga h GLU 381 CO 0.10 0.83 0.37 1.49 -1.16 0.00 0.00 179.01 180.64 3dga h GLU 382 N 0.91 0.83 -0.37 2.33 4.81 -0.89 0.20 114.58 122.40 3dga h GLU 382 Ca 0.20 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3dga h GLU 382 Cb 0.30 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3dga h GLU 382 CO -0.00 0.59 0.20 1.25 -0.73 0.00 0.00 179.01 180.32 3dga h LEU 383 N 0.83 0.46 -1.22 1.64 5.85 -0.43 0.91 115.31 123.36 3dga h LEU 383 Ca 0.22 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3dga h LEU 383 Cb -0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3dga h LEU 383 CO -0.04 0.42 0.10 -0.07 -0.34 0.00 0.00 178.44 178.50 3dga h LEU 384 N 0.47 0.59 -0.63 2.25 3.38 -0.56 -0.97 115.31 119.83 3dga h LEU 384 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dga h LEU 384 Cb 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dga h LEU 384 CO -0.02 0.59 0.34 -0.25 0.09 0.00 0.00 178.44 179.19 3dga h TRP 385 N 0.62 0.88 0.19 1.13 7.01 0.18 -1.76 115.95 124.19 3dga h TRP 385 Ca 0.14 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3dga h TRP 385 Cb 0.25 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3dga h TRP 385 CO 0.01 0.64 -0.09 0.74 -2.79 0.00 0.00 178.44 176.95 3dga h PHE 386 N 0.86 -0.23 -0.67 2.65 0.04 0.11 -2.71 116.94 116.99 3dga h PHE 386 Ca 0.22 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.14 3dga h PHE 386 Cb 0.06 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3dga h PHE 386 CO -0.01 -0.07 0.46 0.82 -0.60 0.00 0.00 178.31 178.91 3dga h ILE 387 N -0.34 0.76 0.00 -0.55 2.04 -0.96 0.32 117.51 118.78 3dga h ILE 387 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3dga h ILE 387 Cb 0.26 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3dga h ILE 387 CO 0.04 0.04 0.00 0.54 0.00 0.00 0.00 178.15 178.77 3dga n ARG 388 N -4.43 0.18 -1.02 2.37 1.74 -0.68 -4.91 116.66 109.91 3dga n ARG 388 Ca 0.13 0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 3dga n ARG 388 Cb 0.59 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3dga n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dga n GLY 389 N 1.25 0.44 3.78 -0.13 0.00 0.11 -5.02 105.19 105.62 3dga n GLY 389 Ca 0.06 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3dga n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dga s GLU 390 N -1.69 3.51 0.00 1.61 2.02 -1.04 -3.68 118.70 119.43 3dga s GLU 390 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3dga s GLU 390 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3dga s GLU 390 CO 0.00 -0.71 0.25 0.25 0.02 0.00 0.00 175.26 175.07 3dga n THR 391 N -1.10 0.00 -2.72 3.63 -2.24 -1.26 -4.42 114.28 106.17 3dga n THR 391 Ca 0.10 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3dga n THR 391 Cb 0.51 1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 70.14 3dga n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dga s ASN 392 N -0.04 6.56 0.52 3.42 3.84 -1.26 -2.09 114.94 125.90 3dga s ASN 392 Ca 0.00 0.28 0.30 0.00 0.21 0.00 0.00 52.86 53.65 3dga s ASN 392 Cb 0.00 -2.50 1.41 0.00 -0.55 0.00 0.00 41.25 39.61 3dga s ASN 392 CO 0.00 -1.14 2.03 1.23 -2.79 0.00 0.00 177.10 176.42 3dga h GLY 393 N 10.87 0.00 1.37 1.21 0.00 -0.96 -2.80 103.07 112.75 3dga h GLY 393 Ca -0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3dga h GLY 393 CO 1.07 0.00 0.26 3.43 0.00 0.00 0.00 176.54 181.30 3dga h ASN 394 N 0.00 0.74 -0.86 0.19 -0.26 -1.91 -0.98 115.58 112.50 3dga h ASN 394 Ca -0.00 -0.08 0.17 0.00 -0.56 0.00 0.00 56.30 55.83 3dga h ASN 394 Cb 0.44 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.44 3dga h ASN 394 CO 0.01 0.64 0.57 0.74 -1.06 0.00 0.00 177.43 178.33 3dga h THR 395 N 0.82 0.75 0.14 2.81 2.02 -1.89 0.35 112.91 117.91 3dga h THR 395 Ca 0.20 -0.17 -0.31 0.00 0.77 0.00 0.00 66.41 66.90 3dga h THR 395 Cb 0.11 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3dga h THR 395 CO -0.02 0.09 -1.60 -0.07 0.37 0.00 0.00 175.52 174.29 3dga h LEU 396 N 0.49 0.45 -1.22 2.58 3.38 -1.50 -3.35 115.31 116.15 3dga h LEU 396 Ca 0.44 -0.89 0.10 0.00 0.09 0.00 0.00 57.88 57.63 3dga h LEU 396 Cb 0.96 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 3dga h LEU 396 CO -0.18 1.70 0.57 -0.07 0.09 0.00 0.00 178.44 180.56 3dga h LEU 397 N -0.14 0.77 -0.10 1.67 3.38 -0.51 0.11 115.31 120.49 3dga h LEU 397 Ca -0.34 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3dga h LEU 397 Cb 1.89 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3dga h LEU 397 CO 0.09 0.45 0.00 0.59 0.09 0.00 0.00 178.44 179.66 3dga n ASN 398 N -4.54 0.12 -0.71 -0.43 3.02 0.05 -1.21 115.26 111.55 3dga n ASN 398 Ca 0.15 0.53 0.06 0.00 -0.03 0.00 0.00 54.58 55.29 3dga n ASN 398 Cb 0.33 -0.55 0.17 0.00 -0.61 0.00 0.00 39.78 39.12 3dga n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dga n LYS 399 N -1.62 2.70 -2.85 3.52 5.02 0.22 -4.97 118.16 120.19 3dga n LYS 399 Ca 0.04 -2.06 -0.21 0.00 -2.02 0.00 0.00 58.31 54.05 3dga n LYS 399 Cb 0.21 -1.30 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 3dga n LYS 399 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dga n ASN 400 N 0.66 -5.95 -4.23 4.39 3.02 -0.35 -4.96 115.26 107.84 3dga n ASN 400 Ca 0.13 -0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 3dga n ASN 400 Cb 0.44 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.71 3dga n ASN 400 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dga s VAL 401 N -3.13 4.26 -0.44 2.41 1.01 -0.20 -4.96 120.40 119.36 3dga s VAL 401 Ca 0.22 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.54 3dga s VAL 401 Cb -0.10 -3.76 0.66 0.00 0.00 0.00 0.00 36.38 33.18 3dga s VAL 401 CO 0.28 -0.73 1.90 0.54 0.00 0.00 0.00 175.10 177.09 3dga n ARG 402 N 4.92 2.29 -0.28 2.72 1.74 -1.26 -3.62 116.66 123.17 3dga n ARG 402 Ca -0.09 -2.96 -0.04 0.00 -0.77 0.00 0.00 57.85 54.00 3dga n ARG 402 Cb 0.41 -2.16 0.08 0.00 -1.02 0.00 0.00 32.46 29.77 3dga n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dga h ILE 403 N 1.05 1.17 -0.03 0.55 2.04 -1.96 -3.13 117.51 117.20 3dga h ILE 403 Ca 0.61 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 66.12 3dga h ILE 403 Cb 2.82 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3dga h ILE 403 CO 1.07 0.19 -0.12 0.79 0.00 0.00 0.00 178.15 180.08 3dga n TRP 404 N -4.57 0.00 -0.21 1.37 7.02 -1.26 -4.66 117.44 115.13 3dga n TRP 404 Ca 0.08 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.58 3dga n TRP 404 Cb 0.04 -0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.06 3dga n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3dga h GLU 405 N 4.01 0.23 0.00 -0.99 4.81 -1.85 -1.06 114.58 119.73 3dga h GLU 405 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3dga h GLU 405 Cb 0.91 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 3dga h GLU 405 CO 0.00 0.15 -0.14 0.00 -0.73 0.00 0.00 179.01 178.29 3dga h ALA 406 N 1.52 1.21 -0.01 2.92 0.00 -1.83 -2.27 119.26 120.82 3dga h ALA 406 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dga h ALA 406 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dga h ALA 406 CO -0.45 0.17 -0.09 0.09 0.00 0.00 0.00 179.25 178.98 3dga n ASN 407 N -3.56 0.69 -0.43 0.00 3.02 -0.42 -3.81 115.26 110.76 3dga n ASN 407 Ca -0.01 -0.88 0.04 0.00 -0.03 0.00 0.00 54.58 53.69 3dga n ASN 407 Cb 0.28 -0.02 0.10 0.00 -0.61 0.00 0.00 39.78 39.53 3dga n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dga n GLY 408 N 1.22 2.47 3.82 7.41 0.00 -0.85 -4.61 105.19 114.65 3dga n GLY 408 Ca 0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3dga n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dga s THR 409 N -0.96 4.06 0.12 2.61 -4.23 -1.23 -0.53 115.64 115.49 3dga s THR 409 Ca 0.15 0.72 -0.23 0.00 -1.18 0.00 0.00 61.69 61.16 3dga s THR 409 Cb 0.08 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 3dga s THR 409 CO 0.11 -0.83 1.67 -0.09 -0.54 0.00 0.00 174.62 174.94 3dga h ARG 410 N -0.48 -0.19 -0.30 3.99 9.65 -1.96 -0.81 114.38 124.28 3dga h ARG 410 Ca -0.44 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.52 3dga h ARG 410 Cb 1.21 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.76 3dga h ARG 410 CO 0.57 -0.12 -0.15 0.93 2.80 0.00 0.00 179.97 184.00 3dga h GLU 411 N -0.19 -0.11 -0.37 0.20 3.07 -1.97 0.15 114.58 115.37 3dga h GLU 411 Ca 0.08 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3dga h GLU 411 Cb 0.30 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3dga h GLU 411 CO -0.20 -0.07 0.17 0.35 -1.40 0.00 0.00 179.01 177.87 3dga h PHE 412 N -0.11 0.53 -0.64 4.33 3.04 -1.76 -1.50 116.94 120.83 3dga h PHE 412 Ca 0.16 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 3dga h PHE 412 Cb 0.35 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3dga h PHE 412 CO -0.35 0.46 0.29 -0.07 -2.02 0.00 0.00 178.31 176.61 3dga h LEU 413 N 0.46 0.86 -1.38 0.59 3.38 -0.78 -2.33 115.31 116.11 3dga h LEU 413 Ca 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3dga h LEU 413 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dga h LEU 413 CO -0.02 0.77 0.07 0.44 0.09 0.00 0.00 178.44 179.80 3dga h ASP 414 N 0.89 0.45 1.39 -0.43 3.32 -0.46 0.25 116.42 121.83 3dga h ASP 414 Ca 0.22 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3dga h ASP 414 Cb 0.15 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3dga h ASP 414 CO -0.02 0.46 -0.08 0.78 -1.72 0.00 0.00 179.24 178.66 3dga h ASN 415 N 0.48 0.00 -0.16 6.45 2.35 -0.91 -1.42 115.58 122.37 3dga h ASN 415 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3dga h ASN 415 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3dga h ASN 415 CO -0.00 0.08 0.00 0.54 -1.65 0.00 0.00 177.43 176.39 3dga n ARG 416 N -3.15 1.58 -1.90 0.81 5.12 -0.45 -4.88 116.66 113.79 3dga n ARG 416 Ca 0.02 -0.88 -0.15 0.00 -1.93 0.00 0.00 57.85 54.91 3dga n ARG 416 Cb 0.44 -1.33 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 3dga n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dga n LYS 417 N 0.13 -1.11 -2.19 5.56 4.01 -0.54 -4.91 118.16 119.12 3dga n LYS 417 Ca 0.14 0.85 -0.39 0.00 -0.51 0.00 0.00 58.31 58.40 3dga n LYS 417 Cb 0.26 -5.09 0.02 0.00 -0.51 0.00 0.00 35.03 29.71 3dga n LYS 417 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3dga n LEU 418 N -1.92 7.42 0.28 -0.35 4.77 0.77 -4.77 117.00 123.20 3dga n LEU 418 Ca -0.16 -5.00 0.18 0.00 -0.03 0.00 0.00 56.01 51.00 3dga n LEU 418 Cb 0.57 -1.15 0.92 0.00 -2.33 0.00 0.00 43.42 41.43 3dga n LEU 418 CO 0.21 1.90 1.15 -0.26 -1.33 0.00 0.00 177.39 179.07 3dga h PHE 419 N 3.63 0.00 -0.36 -1.77 0.04 -1.85 -1.88 116.94 114.75 3dga h PHE 419 Ca 0.55 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.32 3dga h PHE 419 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3dga h PHE 419 CO 1.31 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.74 3dga n HIS 420 N -3.31 0.47 -3.25 -0.55 8.25 -1.26 -4.96 115.22 110.61 3dga n HIS 420 Ca -0.00 -0.32 -0.39 0.00 -0.26 0.00 0.00 57.72 56.75 3dga n HIS 420 Cb 0.30 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 3dga n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3dga s ARG 421 N -1.16 4.25 0.47 -0.41 6.06 -0.71 -5.05 118.95 122.39 3dga s ARG 421 Ca 0.31 0.73 -0.22 0.00 -2.50 0.00 0.00 55.73 54.05 3dga s ARG 421 Cb 0.17 -3.28 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 3dga s ARG 421 CO 0.24 0.53 1.11 -2.00 -2.50 0.00 0.00 175.30 172.68 3dga s GLU 422 N -0.74 3.79 0.17 5.12 2.12 -1.26 -4.93 118.70 122.96 3dga s GLU 422 Ca 0.30 1.61 -0.34 0.00 0.36 0.00 0.00 54.97 56.90 3dga s GLU 422 Cb -0.19 -2.31 -0.14 0.00 0.26 0.00 0.00 34.13 31.75 3dga s GLU 422 CO 0.18 -0.49 1.54 0.28 -0.54 0.00 0.00 175.26 176.23 3dga n VAL 423 N -0.62 0.16 -0.94 3.70 0.31 -1.26 -0.57 118.33 119.10 3dga n VAL 423 Ca 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3dga n VAL 423 Cb 0.50 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3dga n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dga n ASN 424 N 3.15 -0.86 -4.45 4.52 5.03 0.31 -4.94 115.26 118.03 3dga n ASN 424 Ca 0.16 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.18 3dga n ASN 424 Cb 0.29 -0.56 -0.04 0.00 -1.02 0.00 0.00 39.78 38.45 3dga n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3dga s ASP 425 N -2.63 6.20 0.00 6.41 -1.08 0.26 -0.21 116.67 125.62 3dga s ASP 425 Ca 0.00 -0.97 0.30 0.00 -0.52 0.00 0.00 52.55 51.36 3dga s ASP 425 Cb 0.00 -2.39 1.70 0.00 -1.46 0.00 0.00 42.92 40.78 3dga s ASP 425 CO 0.00 -1.29 2.09 0.18 0.52 0.00 0.00 175.17 176.67 3dga n LEU 426 N 7.24 0.00 0.00 -1.34 4.77 -0.89 -4.67 117.00 122.11 3dga n LEU 426 Ca -0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3dga n LEU 426 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3dga n LEU 426 CO 0.62 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3dga n GLY 427 N 0.94 -2.25 2.74 -0.72 0.00 -1.26 -1.26 105.19 103.39 3dga n GLY 427 Ca 0.20 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 3dga n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dga n PRO 428 N -0.43 1.54 -2.51 1.61 -0.04 -1.26 -4.81 135.00 129.10 3dga n PRO 428 Ca 0.00 -1.25 -0.24 0.00 -0.04 0.00 0.00 63.50 61.97 3dga n PRO 428 Cb 0.00 -2.38 0.09 0.00 -0.04 0.00 0.00 33.50 31.17 3dga n PRO 428 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3dga s ILE 429 N 3.93 2.30 0.00 0.52 -4.36 -1.26 -4.49 121.20 117.83 3dga s ILE 429 Ca 0.32 -0.53 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 3dga s ILE 429 Cb 0.08 -2.76 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3dga s ILE 429 CO -0.01 0.00 0.00 -1.22 0.24 0.00 0.00 174.94 173.95 3dga n TYR 430 N -2.76 0.00 -0.28 1.37 4.01 -1.26 0.85 117.16 119.09 3dga n TYR 430 Ca 0.12 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 3dga n TYR 430 Cb 0.60 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.88 3dga n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3dga h GLY 431 N 0.00 1.24 0.93 2.72 0.00 -1.77 0.12 103.07 106.30 3dga h GLY 431 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dga h GLY 431 CO 0.00 -0.32 0.14 -2.75 0.00 0.00 0.00 176.54 173.61 3dga h PHE 432 N 0.22 0.46 -0.32 5.60 3.57 0.38 -2.49 116.94 124.36 3dga h PHE 432 Ca 0.51 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.90 3dga h PHE 432 Cb 0.98 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3dga h PHE 432 CO -0.28 0.43 -0.13 1.96 -2.23 0.00 0.00 178.31 178.06 3dga h GLN 433 N 0.36 0.55 -0.52 1.11 1.08 -1.01 0.49 115.11 117.16 3dga h GLN 433 Ca 0.11 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 3dga h GLN 433 Cb 0.15 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3dga h GLN 433 CO -0.01 0.67 0.02 -1.49 -0.95 0.00 0.00 178.83 177.07 3dga h TRP 434 N 0.51 0.93 -0.01 2.96 4.06 -0.62 -2.84 115.95 120.95 3dga h TRP 434 Ca 0.09 -0.13 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3dga h TRP 434 Cb 0.52 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3dga h TRP 434 CO 0.02 0.84 -0.19 0.54 -3.56 0.00 0.00 178.44 176.09 3dga n ARG 435 N -4.21 2.19 -0.59 0.49 5.12 -0.96 -1.47 116.66 117.23 3dga n ARG 435 Ca 0.03 -0.56 -0.00 0.00 -1.93 0.00 0.00 57.85 55.39 3dga n ARG 435 Cb 0.30 -1.05 -0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3dga n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dga n HIS 436 N -0.30 0.00 -1.67 -1.55 8.25 0.17 -3.95 115.22 116.17 3dga n HIS 436 Ca 0.04 -0.06 -0.61 0.00 -0.26 0.00 0.00 57.72 56.83 3dga n HIS 436 Cb 0.19 0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.31 3dga n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dga n PHE 437 N 0.03 1.63 0.00 4.41 -0.00 -1.01 -0.61 117.46 121.91 3dga n PHE 437 Ca -0.01 0.87 0.00 0.00 -0.00 0.00 0.00 57.45 58.30 3dga n PHE 437 Cb 0.65 -2.29 0.00 0.00 -0.00 0.00 0.00 39.48 37.83 3dga n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dga n GLY 438 N 3.44 1.90 3.73 7.13 0.00 -1.26 -0.46 105.19 119.66 3dga n GLY 438 Ca 0.26 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3dga n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dga s ALA 439 N -1.80 2.12 -0.27 4.61 0.00 0.22 -4.90 121.76 121.74 3dga s ALA 439 Ca 0.00 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 3dga s ALA 439 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3dga s ALA 439 CO 0.00 -1.85 0.89 -2.00 0.00 0.00 0.00 175.76 172.81 3dga s GLU 440 N -4.12 4.11 0.12 0.00 2.56 -1.26 -5.02 118.70 115.09 3dga s GLU 440 Ca 0.71 0.93 -0.30 0.00 0.00 0.00 0.00 54.97 56.30 3dga s GLU 440 Cb -0.25 -3.68 -0.06 0.00 2.00 0.00 0.00 34.13 32.13 3dga s GLU 440 CO 0.47 -0.65 1.00 -0.47 -0.56 0.00 0.00 175.26 175.05 3dga s TYR 441 N 3.07 3.74 0.00 5.30 5.04 -1.26 -4.96 117.35 128.29 3dga s TYR 441 Ca 0.37 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 3dga s TYR 441 Cb -0.14 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.05 3dga s TYR 441 CO 0.10 -0.04 0.00 0.25 -1.34 0.00 0.00 175.55 174.52 3dga n THR 442 N 2.79 0.00 -3.70 4.34 -2.24 -1.26 -5.09 114.28 109.12 3dga n THR 442 Ca 0.03 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 3dga n THR 442 Cb 0.48 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.61 3dga n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dga s ASN 443 N -3.80 -0.15 0.52 3.42 2.20 -1.26 -5.04 114.94 110.83 3dga s ASN 443 Ca 0.00 -0.33 0.30 0.00 -0.94 0.00 0.00 52.86 51.89 3dga s ASN 443 Cb 0.00 0.42 1.65 0.00 -2.00 0.00 0.00 41.25 41.33 3dga s ASN 443 CO 0.00 -0.77 1.92 0.00 -2.94 0.00 0.00 177.10 175.31 3dga h MET 444 N 2.64 0.00 0.00 3.55 -0.00 -1.95 -1.98 114.93 117.19 3dga h MET 444 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.37 3dga h MET 444 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 3dga h MET 444 CO 0.48 0.00 -0.70 0.66 -0.00 0.00 0.00 176.91 177.35 3dga n TYR 445 N -2.66 0.09 -0.97 -0.10 4.01 -1.26 -4.72 117.16 111.56 3dga n TYR 445 Ca -0.02 0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3dga n TYR 445 Cb 0.17 -0.27 0.15 0.00 -0.31 0.00 0.00 39.34 39.08 3dga n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dga s ASP 446 N -3.27 3.18 -0.25 7.72 -1.08 -0.74 -5.00 116.67 117.23 3dga s ASP 446 Ca 0.09 1.79 -0.14 0.00 -0.52 0.00 0.00 52.55 53.76 3dga s ASP 446 Cb 0.16 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 39.19 3dga s ASP 446 CO 0.75 -2.87 0.33 0.21 0.52 0.00 0.00 175.17 174.11 3dga s ASN 447 N -3.06 6.26 0.00 -0.34 3.84 -1.26 -4.94 114.94 115.44 3dga s ASN 447 Ca 0.65 0.29 0.07 0.00 0.21 0.00 0.00 52.86 54.07 3dga s ASN 447 Cb -0.20 -2.19 0.13 0.00 -0.55 0.00 0.00 41.25 38.44 3dga s ASN 447 CO 0.58 -0.11 0.97 -1.22 -2.79 0.00 0.00 177.10 174.54 3dga n TYR 448 N 4.93 0.17 -1.58 0.43 4.01 -1.26 -5.01 117.16 118.84 3dga n TYR 448 Ca -0.10 -0.29 -0.58 0.00 -0.16 0.00 0.00 57.90 56.76 3dga n TYR 448 Cb 0.51 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 3dga n TYR 448 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dga n GLU 449 N 0.23 0.43 -1.69 -0.72 1.02 -1.26 -0.21 120.64 118.45 3dga n GLU 449 Ca 0.06 0.16 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 3dga n GLU 449 Cb 0.28 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 3dga n GLU 449 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dga n ASN 450 N 2.54 -5.37 -4.47 1.62 3.02 -1.26 -4.98 115.26 106.35 3dga n ASN 450 Ca 0.22 0.40 -0.33 0.00 -0.03 0.00 0.00 54.58 54.84 3dga n ASN 450 Cb 0.09 -4.55 -0.13 0.00 -0.61 0.00 0.00 39.78 34.58 3dga n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dga s LYS 451 N -3.85 3.43 0.04 3.52 1.02 0.71 -5.02 119.74 119.60 3dga s LYS 451 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3dga s LYS 451 Cb 0.00 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3dga s LYS 451 CO 0.00 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 3dga n GLY 452 N 3.31 -2.22 3.66 -3.33 0.00 -1.26 -4.41 105.19 100.94 3dga n GLY 452 Ca -0.18 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3dga n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dga s VAL 453 N -2.43 4.46 -1.01 1.61 1.01 0.39 -4.65 120.40 119.79 3dga s VAL 453 Ca 0.00 1.76 -0.19 0.00 0.00 0.00 0.00 61.98 63.55 3dga s VAL 453 Cb 0.00 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.36 3dga s VAL 453 CO 0.00 -0.14 1.28 -0.62 0.00 0.00 0.00 175.10 175.61 3dga s ASP 454 N 1.60 6.67 0.12 3.32 -1.08 -1.25 -2.42 116.67 123.63 3dga s ASP 454 Ca 0.50 -2.07 -0.18 0.00 -0.52 0.00 0.00 52.55 50.29 3dga s ASP 454 Cb -0.19 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 3dga s ASP 454 CO 0.12 -1.12 1.69 1.56 0.52 0.00 0.00 175.17 177.93 3dga h GLN 455 N 8.74 0.44 -0.75 4.34 4.20 -1.52 -1.42 115.11 129.14 3dga h GLN 455 Ca 0.21 -0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.01 3dga h GLN 455 Cb 0.99 -0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.58 3dga h GLN 455 CO 1.22 0.42 0.19 1.25 -0.67 0.00 0.00 178.83 181.23 3dga h LEU 456 N 0.36 0.03 -0.31 1.46 5.85 -1.76 0.31 115.31 121.25 3dga h LEU 456 Ca 0.10 0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 3dga h LEU 456 Cb 0.12 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3dga h LEU 456 CO -0.01 -0.04 -0.36 0.11 -0.34 0.00 0.00 178.44 177.80 3dga h LYS 457 N 0.27 0.79 -0.97 1.25 1.57 -1.80 -2.75 116.57 114.94 3dga h LYS 457 Ca 0.43 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3dga h LYS 457 Cb 0.74 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 3dga h LYS 457 CO -0.52 1.07 0.64 -0.91 -0.57 0.00 0.00 179.45 179.16 3dga h ASN 458 N 0.56 1.12 -0.28 0.86 2.35 0.32 -1.48 115.58 119.02 3dga h ASN 458 Ca 0.04 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 3dga h ASN 458 Cb 0.95 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3dga h ASN 458 CO 0.09 0.81 -0.58 0.16 -1.65 0.00 0.00 177.43 176.26 3dga h ILE 459 N 1.32 1.27 -0.84 2.81 3.07 -0.53 -0.87 117.51 123.75 3dga h ILE 459 Ca 0.36 -1.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.00 3dga h ILE 459 Cb -0.15 1.66 -0.04 0.00 -0.27 0.00 0.00 36.82 38.02 3dga h ILE 459 CO -0.08 0.57 0.50 0.40 -1.05 0.00 0.00 178.15 178.50 3dga h ILE 460 N 0.67 1.23 -0.40 0.16 2.04 -1.21 0.14 117.51 120.14 3dga h ILE 460 Ca 0.01 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 3dga h ILE 460 Cb 1.19 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3dga h ILE 460 CO 0.13 0.24 -0.13 0.78 0.00 0.00 0.00 178.15 179.17 3dga h ASN 461 N 1.15 0.70 -0.59 1.72 2.35 -1.14 -1.96 115.58 117.82 3dga h ASN 461 Ca 0.30 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3dga h ASN 461 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3dga h ASN 461 CO -0.06 0.86 0.01 -0.07 -1.65 0.00 0.00 177.43 176.52 3dga h LEU 462 N 0.64 1.02 -0.44 1.61 3.38 -0.20 0.24 115.31 121.57 3dga h LEU 462 Ca 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3dga h LEU 462 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3dga h LEU 462 CO 0.04 1.06 0.13 0.40 0.09 0.00 0.00 178.44 180.16 3dga h ILE 463 N 0.96 1.22 -0.21 1.22 2.04 -0.48 0.26 117.51 122.52 3dga h ILE 463 Ca 0.17 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 3dga h ILE 463 Cb 0.53 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3dga h ILE 463 CO 0.03 0.27 -0.34 0.11 0.00 0.00 0.00 178.15 178.21 3dga h LYS 464 N 0.57 0.60 0.00 2.37 1.57 -1.21 -3.26 116.57 117.22 3dga h LYS 464 Ca 0.14 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 3dga h LYS 464 Cb 0.28 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3dga h LYS 464 CO -0.00 0.98 -2.06 0.09 -0.57 0.00 0.00 179.45 177.88 3dga n ASN 465 N -4.29 0.43 -2.63 0.86 3.02 0.06 -4.71 115.26 108.00 3dga n ASN 465 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.38 3dga n ASN 465 Cb 0.50 1.52 0.03 0.00 -0.61 0.00 0.00 39.78 41.22 3dga n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dga n ASP 466 N -2.40 2.02 -0.51 6.41 2.03 0.87 -4.98 116.55 120.00 3dga n ASP 466 Ca -0.15 -2.84 0.42 0.00 0.52 0.00 0.00 54.79 52.75 3dga n ASP 466 Cb 0.76 -0.51 0.70 0.00 -0.72 0.00 0.00 41.12 41.35 3dga n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dga h PRO 467 N 2.89 0.00 -0.56 -0.67 0.13 -1.48 0.31 132.00 132.62 3dga h PRO 467 Ca -0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3dga h PRO 467 Cb 1.15 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3dga h PRO 467 CO 0.54 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.56 3dga n THR 468 N -4.64 0.75 -2.16 1.56 -2.24 -1.26 -3.94 114.28 102.36 3dga n THR 468 Ca 0.41 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 3dga n THR 468 Cb 1.64 -0.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 3dga n THR 468 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3dga s SER 469 N -0.67 5.66 -0.19 3.42 0.15 0.11 -4.94 113.70 117.24 3dga s SER 469 Ca 0.21 2.07 0.15 0.00 0.70 0.00 0.00 55.95 59.08 3dga s SER 469 Cb 0.14 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.33 3dga s SER 469 CO 0.10 -1.25 1.34 0.54 1.20 0.00 0.00 173.24 175.17 3dga n ARG 470 N -1.59 2.10 -0.12 5.44 1.74 -1.26 -4.45 116.66 118.52 3dga n ARG 470 Ca 0.11 -2.89 0.09 0.00 -0.77 0.00 0.00 57.85 54.39 3dga n ARG 470 Cb 0.52 -1.72 0.12 0.00 -1.02 0.00 0.00 32.46 30.35 3dga n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dga n ARG 471 N -0.97 1.16 -2.70 5.56 1.74 -1.26 -4.92 116.66 115.28 3dga n ARG 471 Ca 0.22 -2.39 -0.43 0.00 -0.77 0.00 0.00 57.85 54.48 3dga n ARG 471 Cb 0.84 -1.38 -0.00 0.00 -1.02 0.00 0.00 32.46 30.89 3dga n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dga s ILE 472 N -2.54 4.39 0.11 0.55 1.01 -1.26 -4.95 121.20 118.51 3dga s ILE 472 Ca 0.28 -1.98 0.07 0.00 0.00 0.00 0.00 60.65 59.02 3dga s ILE 472 Cb 0.25 -5.08 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 3dga s ILE 472 CO 0.03 -1.88 -0.17 -0.76 0.00 0.00 0.00 174.94 172.16 3dga s LEU 473 N 3.49 2.34 -0.21 2.97 1.02 -1.26 -0.68 118.68 126.36 3dga s LEU 473 Ca 0.49 -0.73 0.01 0.00 0.02 0.00 0.00 54.13 53.93 3dga s LEU 473 Cb 0.01 -0.70 0.04 0.00 0.02 0.00 0.00 46.19 45.56 3dga s LEU 473 CO 0.03 -0.04 -0.13 -0.22 0.02 0.00 0.00 176.35 176.01 3dga s LEU 474 N -2.12 2.48 -0.14 1.79 2.96 0.47 -4.88 118.68 119.25 3dga s LEU 474 Ca 0.06 -0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3dga s LEU 474 Cb -0.08 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3dga s LEU 474 CO 0.04 -0.12 -0.13 0.00 -1.32 0.00 0.00 176.35 174.82 3dga n ALA 476 N 3.72 2.80 -2.41 0.00 0.00 -0.42 -4.73 120.51 119.47 3dga n ALA 476 Ca -0.18 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.42 3dga n ALA 476 Cb 0.52 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3dga n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3dga s TRP 477 N -3.29 2.50 -0.80 0.00 -0.11 -1.20 -4.81 118.94 111.22 3dga s TRP 477 Ca -0.06 -0.92 -0.21 0.00 1.22 0.00 0.00 56.10 56.13 3dga s TRP 477 Cb 0.12 -4.51 0.09 0.00 -1.50 0.00 0.00 33.47 27.67 3dga s TRP 477 CO 0.79 -1.62 1.09 1.21 -4.62 0.00 0.00 176.95 173.80 3dga s ASN 478 N 5.01 6.38 0.32 5.86 3.84 -1.26 -4.90 114.94 130.19 3dga s ASN 478 Ca 0.58 -1.43 0.10 0.00 0.21 0.00 0.00 52.86 52.32 3dga s ASN 478 Cb 0.02 -2.43 0.97 0.00 -0.55 0.00 0.00 41.25 39.26 3dga s ASN 478 CO 0.09 -1.31 1.64 0.58 -2.79 0.00 0.00 177.10 175.31 3dga h VAL 479 N 6.00 0.25 0.00 -5.21 2.07 -2.01 0.23 116.25 117.58 3dga h VAL 479 Ca -0.07 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3dga h VAL 479 Cb 1.05 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3dga h VAL 479 CO 1.18 0.04 -0.23 0.50 0.02 0.00 0.00 177.57 179.09 3dga h LYS 480 N 0.23 0.00 -0.02 1.57 3.64 -2.01 -3.17 116.57 116.80 3dga h LYS 480 Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 3dga h LYS 480 Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 3dga h LYS 480 CO -0.67 0.23 -0.04 -0.25 -2.27 0.00 0.00 179.45 176.45 3dga n ASP 481 N -3.78 2.39 -0.17 4.20 8.00 0.02 -4.70 116.55 122.52 3dga n ASP 481 Ca -0.02 -1.69 -0.09 0.00 0.71 0.00 0.00 54.79 53.70 3dga n ASP 481 Cb 0.33 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3dga n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dga h LEU 482 N 3.31 -1.40 -2.83 0.64 3.38 -1.41 -0.44 115.31 116.56 3dga h LEU 482 Ca 0.00 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dga h LEU 482 Cb 0.72 0.63 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3dga h LEU 482 CO 0.00 -0.34 -0.00 0.44 0.09 0.00 0.00 178.44 178.62 3dga h ASP 483 N -0.26 0.00 0.74 -0.43 3.32 -1.84 -0.65 116.42 117.29 3dga h ASP 483 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dga h ASP 483 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3dga h ASP 483 CO -0.63 0.00 -0.37 0.00 -1.72 0.00 0.00 179.24 176.53 3dga n GLN 484 N -3.24 0.06 -2.92 3.56 6.02 -0.20 -4.87 117.38 115.78 3dga n GLN 484 Ca -0.03 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3dga n GLN 484 Cb 0.08 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 29.73 3dga n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3dga s MET 485 N -3.03 4.22 0.36 -1.09 -1.94 -0.25 -4.37 119.30 113.19 3dga s MET 485 Ca 0.11 1.01 0.11 0.00 -1.71 0.00 0.00 55.69 55.21 3dga s MET 485 Cb 0.17 -2.38 0.88 0.00 2.01 0.00 0.00 34.83 35.50 3dga s MET 485 CO 0.65 0.09 1.83 0.00 -0.01 0.00 0.00 175.02 177.59 3dga h ALA 486 N 2.29 1.91 -1.66 3.03 0.00 -1.48 -3.43 119.26 119.92 3dga h ALA 486 Ca -0.48 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3dga h ALA 486 Cb 1.18 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 3dga h ALA 486 CO 0.63 -0.21 0.45 -0.48 0.00 0.00 0.00 179.25 179.63 3dga s LEU 487 N -9.85 -0.46 0.61 0.00 2.34 -1.26 -4.96 118.68 105.10 3dga s LEU 487 Ca -0.10 0.66 -0.19 0.00 0.06 0.00 0.00 54.13 54.56 3dga s LEU 487 Cb 0.23 1.99 -0.03 0.00 -0.56 0.00 0.00 46.19 47.82 3dga s LEU 487 CO 0.79 -0.31 1.15 -2.65 -1.06 0.00 0.00 176.35 174.28 3dga n PRO 488 N 1.35 1.11 -2.13 1.48 -0.02 -1.26 -4.95 135.00 130.58 3dga n PRO 488 Ca -0.12 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 3dga n PRO 488 Cb 0.57 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3dga n PRO 488 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dga s PRO 489 N -3.00 3.18 -0.11 0.52 0.04 -1.26 -4.96 135.00 129.41 3dga s PRO 489 Ca 0.78 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 3dga s PRO 489 Cb -0.41 -1.98 -0.25 0.00 0.04 0.00 0.00 34.50 31.91 3dga s PRO 489 CO 0.45 -0.99 0.41 0.00 0.04 0.00 0.00 177.00 176.91 3dga s HIS 491 N -2.57 2.78 0.09 0.00 3.76 -1.26 -1.30 115.29 116.79 3dga s HIS 491 Ca -0.18 -0.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.54 3dga s HIS 491 Cb 0.07 -4.44 -0.16 0.00 1.11 0.00 0.00 32.58 29.16 3dga s HIS 491 CO 0.78 -1.71 1.72 0.82 -0.85 0.00 0.00 174.74 175.50 3dga h ILE 492 N 6.17 0.93 -2.95 0.60 1.08 -1.48 -3.42 117.51 118.45 3dga h ILE 492 Ca 0.05 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 3dga h ILE 492 Cb 1.03 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 3dga h ILE 492 CO 1.24 0.01 0.27 -1.48 -0.69 0.00 0.00 178.15 177.49 3dga s LEU 493 N -10.16 -0.15 -0.04 1.44 0.05 -1.23 -1.30 118.68 107.29 3dga s LEU 493 Ca -0.14 -0.81 0.01 0.00 0.05 0.00 0.00 54.13 53.25 3dga s LEU 493 Cb 0.06 2.73 0.02 0.00 -2.05 0.00 0.00 46.19 46.94 3dga s LEU 493 CO 0.66 -1.45 -0.04 0.00 -0.55 0.00 0.00 176.35 174.97 3dga s GLN 495 N 0.79 2.12 0.14 0.00 0.74 -0.14 -0.39 119.66 122.92 3dga s GLN 495 Ca -0.10 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 54.46 3dga s GLN 495 Cb -0.13 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.88 3dga s GLN 495 CO -0.00 0.56 -0.05 -0.06 -0.55 0.00 0.00 175.29 175.19 3dga s PHE 496 N -0.63 2.79 -0.03 1.67 0.08 0.14 -0.80 117.98 121.20 3dga s PHE 496 Ca 0.10 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.02 3dga s PHE 496 Cb -0.10 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 3dga s PHE 496 CO -0.01 0.48 -0.02 -0.47 -0.10 0.00 0.00 175.22 175.10 3dga s TYR 497 N -1.48 0.46 -0.15 0.36 5.04 -0.30 -4.70 117.35 116.59 3dga s TYR 497 Ca 0.25 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.81 3dga s TYR 497 Cb -0.10 -0.46 0.02 0.00 0.35 0.00 0.00 41.96 41.76 3dga s TYR 497 CO 0.16 -0.13 -0.16 0.08 -1.34 0.00 0.00 175.55 174.16 3dga s VAL 498 N 0.80 1.70 -0.09 3.14 1.01 -1.25 -0.97 120.40 124.73 3dga s VAL 498 Ca -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3dga s VAL 498 Cb -0.12 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3dga s VAL 498 CO -0.01 0.48 0.21 0.12 0.00 0.00 0.00 175.10 175.90 3dga s PHE 499 N 1.29 -0.27 -1.34 5.22 5.36 -0.55 -4.67 117.98 123.02 3dga s PHE 499 Ca 0.02 0.68 -0.13 0.00 -0.96 0.00 0.00 56.93 56.54 3dga s PHE 499 Cb -0.14 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 3dga s PHE 499 CO -0.08 -0.21 0.45 -3.47 -1.46 0.00 0.00 175.22 170.44 3dga n ASP 500 N 4.29 -1.89 -0.96 6.13 2.03 -1.26 -1.12 116.55 123.77 3dga n ASP 500 Ca -0.25 -1.15 -0.13 0.00 0.52 0.00 0.00 54.79 53.79 3dga n ASP 500 Cb 0.52 -2.42 -0.05 0.00 -0.72 0.00 0.00 41.12 38.45 3dga n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dga n GLY 501 N -2.10 1.33 3.23 0.27 0.00 -1.26 -4.99 105.19 101.66 3dga n GLY 501 Ca -0.23 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 3dga n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dga s LYS 502 N -3.00 1.80 -0.16 1.61 1.02 -0.28 -0.69 119.74 120.05 3dga s LYS 502 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 3dga s LYS 502 Cb 0.00 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3dga s LYS 502 CO 0.00 0.44 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.61 3dga s LEU 503 N -0.45 2.84 0.19 3.17 2.96 0.11 -1.48 118.68 126.02 3dga s LEU 503 Ca 0.07 -0.31 0.11 0.00 -0.22 0.00 0.00 54.13 53.77 3dga s LEU 503 Cb -0.09 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3dga s LEU 503 CO -0.00 0.12 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.48 3dga s SER 504 N 0.64 3.26 0.00 3.68 0.01 -0.14 0.85 113.70 122.00 3dga s SER 504 Ca -0.05 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.35 3dga s SER 504 Cb -0.15 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 3dga s SER 504 CO 0.03 0.09 -0.03 0.00 0.41 0.00 0.00 173.24 173.73 3dga s ILE 506 N -0.21 2.54 -0.11 0.00 1.01 0.02 0.44 121.20 124.89 3dga s ILE 506 Ca -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3dga s ILE 506 Cb -0.02 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3dga s ILE 506 CO -0.00 0.55 -0.16 -0.32 0.00 0.00 0.00 174.94 175.00 3dga s MET 507 N 0.23 2.32 -0.25 2.79 1.75 -0.10 -0.97 119.30 125.07 3dga s MET 507 Ca -0.12 -0.60 -0.10 0.00 -1.25 0.00 0.00 55.69 53.62 3dga s MET 507 Cb -0.16 -1.94 -0.05 0.00 2.84 0.00 0.00 34.83 35.52 3dga s MET 507 CO 0.07 -0.04 0.15 -0.47 -0.65 0.00 0.00 175.02 174.08 3dga s TYR 508 N 0.92 3.26 -0.20 4.11 6.14 -0.97 -1.30 117.35 129.32 3dga s TYR 508 Ca -0.08 0.12 -0.04 0.00 0.64 0.00 0.00 57.07 57.71 3dga s TYR 508 Cb -0.15 -2.29 -0.02 0.00 0.42 0.00 0.00 41.96 39.93 3dga s TYR 508 CO -0.01 -0.04 -0.04 -1.14 0.64 0.00 0.00 175.55 174.96 3dga s GLN 509 N 1.28 3.48 0.14 4.97 0.74 -0.20 -1.42 119.66 128.66 3dga s GLN 509 Ca 0.07 -0.59 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 3dga s GLN 509 Cb -0.14 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3dga s GLN 509 CO 0.06 -0.03 1.35 0.07 -0.55 0.00 0.00 175.29 176.19 3dga h ARG 510 N 7.59 0.47 -4.22 1.67 0.11 -1.50 0.23 114.38 118.73 3dga h ARG 510 Ca -0.37 -0.44 -0.50 0.00 0.10 0.00 0.00 59.98 58.78 3dga h ARG 510 Cb 1.18 0.11 -0.36 0.00 1.11 0.00 0.00 29.97 32.01 3dga h ARG 510 CO 0.60 1.08 -0.80 0.45 0.10 0.00 0.00 179.97 181.40 3dga s SER 511 N -7.05 1.87 -0.17 0.08 0.15 -1.26 -0.87 113.70 106.45 3dga s SER 511 Ca -0.06 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3dga s SER 511 Cb 0.09 -0.75 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3dga s SER 511 CO 0.86 -0.08 -0.09 0.00 1.20 0.00 0.00 173.24 175.13 3dga s ASP 513 N 1.53 6.22 0.26 0.00 2.15 -1.26 -1.77 116.67 123.79 3dga s ASP 513 Ca 0.01 -1.50 -0.03 0.00 0.43 0.00 0.00 52.55 51.46 3dga s ASP 513 Cb -0.15 -2.30 0.41 0.00 -0.30 0.00 0.00 42.92 40.58 3dga s ASP 513 CO -0.09 -1.10 1.85 -0.07 -0.17 0.00 0.00 175.17 175.60 3dga h LEU 514 N 9.91 0.88 -0.25 -1.34 -0.00 -1.76 0.55 115.31 123.30 3dga h LEU 514 Ca -0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 3dga h LEU 514 Cb 1.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 3dga h LEU 514 CO 1.09 0.53 0.04 1.23 -0.00 0.00 0.00 178.44 181.33 3dga h GLY 515 N 1.00 0.44 0.00 0.83 0.00 -1.91 -3.40 103.07 100.03 3dga h GLY 515 Ca 0.42 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 3dga h GLY 515 CO -0.21 0.28 -1.43 1.04 0.00 0.00 0.00 176.54 176.22 3dga n LEU 516 N -4.69 1.24 0.20 3.11 4.77 -1.18 -4.87 117.00 115.57 3dga n LEU 516 Ca -0.03 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 3dga n LEU 516 Cb 0.21 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3dga n LEU 516 CO 0.37 0.05 0.41 1.23 -1.33 0.00 0.00 177.39 178.13 3dga h GLY 517 N -0.55 -0.53 -0.97 -0.72 0.00 -1.19 -3.37 103.07 95.75 3dga h GLY 517 Ca -0.26 0.20 0.26 0.00 0.00 0.00 0.00 47.33 47.53 3dga h GLY 517 CO -0.16 -0.19 0.01 -0.62 0.00 0.00 0.00 176.54 175.58 3dga n VAL 518 N -3.62 -0.41 -0.17 4.60 0.31 -0.49 -0.77 118.33 117.78 3dga n VAL 518 Ca -0.06 2.14 -0.01 0.00 -0.01 0.00 0.00 64.34 66.39 3dga n VAL 518 Cb 0.20 -3.11 0.08 0.00 -0.91 0.00 0.00 33.84 30.10 3dga n VAL 518 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3dga h PRO 519 N 0.00 0.19 -0.45 5.55 0.11 -1.78 0.24 132.00 135.85 3dga h PRO 519 Ca 0.58 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.56 3dga h PRO 519 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3dga h PRO 519 CO -0.92 0.13 -0.20 0.74 -0.21 0.00 0.00 178.00 177.54 3dga h PHE 520 N 0.20 1.03 -0.92 0.65 0.04 -1.13 -2.85 116.94 113.96 3dga h PHE 520 Ca 0.27 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3dga h PHE 520 Cb 0.40 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3dga h PHE 520 CO -0.27 1.02 0.56 -0.91 -0.60 0.00 0.00 178.31 178.12 3dga h ASN 521 N 0.79 1.10 -0.06 2.17 -0.26 -0.34 0.20 115.58 119.17 3dga h ASN 521 Ca 0.11 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3dga h ASN 521 Cb 0.75 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3dga h ASN 521 CO 0.06 0.84 0.03 0.40 -1.06 0.00 0.00 177.43 177.70 3dga h ILE 522 N 1.27 1.08 -0.15 2.81 2.04 -0.87 -2.36 117.51 121.33 3dga h ILE 522 Ca 0.33 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3dga h ILE 522 Cb -0.07 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3dga h ILE 522 CO -0.06 0.07 0.07 0.00 0.00 0.00 0.00 178.15 178.23 3dga h ALA 523 N 0.94 0.20 -0.11 1.87 0.00 -1.21 -1.34 119.26 119.61 3dga h ALA 523 Ca 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dga h ALA 523 Cb 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3dga h ALA 523 CO -0.00 -0.24 -0.33 0.77 0.00 0.00 0.00 179.25 179.45 3dga h SER 524 N 0.12 -1.01 1.29 0.00 0.02 -0.53 -0.59 113.55 112.85 3dga h SER 524 Ca 0.05 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3dga h SER 524 Cb 0.12 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3dga h SER 524 CO -0.01 -0.37 -0.08 1.88 -1.14 0.00 0.00 176.83 177.12 3dga h TYR 525 N -0.41 0.00 -0.20 3.45 -1.99 -1.43 -1.36 116.97 115.03 3dga h TYR 525 Ca 0.09 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 3dga h TYR 525 Cb 0.55 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 3dga h TYR 525 CO -0.40 0.08 -0.21 0.77 -0.00 0.00 0.00 178.16 178.39 3dga h SER 526 N 0.00 0.53 -0.39 3.88 0.02 -0.61 -1.52 113.55 115.46 3dga h SER 526 Ca -0.00 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3dga h SER 526 Cb 0.74 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3dga h SER 526 CO 0.01 0.91 0.23 0.40 -1.14 0.00 0.00 176.83 177.24 3dga h ILE 527 N 0.17 1.13 -0.35 3.27 2.04 -0.88 -2.07 117.51 120.82 3dga h ILE 527 Ca 0.03 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3dga h ILE 527 Cb 0.77 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3dga h ILE 527 CO 0.05 0.14 0.21 0.15 0.00 0.00 0.00 178.15 178.70 3dga h PHE 528 N 0.51 0.45 -0.42 1.37 3.57 -1.19 -0.46 116.94 120.78 3dga h PHE 528 Ca 0.14 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 3dga h PHE 528 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3dga h PHE 528 CO -0.03 0.30 -0.24 1.15 -2.23 0.00 0.00 178.31 177.26 3dga h THR 529 N 0.48 1.28 -0.16 4.41 2.02 -0.62 -0.59 112.91 119.72 3dga h THR 529 Ca 0.13 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 3dga h THR 529 Cb -0.02 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3dga h THR 529 CO -0.02 0.47 0.08 0.45 0.37 0.00 0.00 175.52 176.87 3dga h HIS 530 N 0.72 0.23 0.25 3.16 3.86 -0.75 -0.54 115.15 122.07 3dga h HIS 530 Ca 0.09 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3dga h HIS 530 Cb 0.81 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 3dga h HIS 530 CO 0.06 0.25 -0.45 0.52 0.86 0.00 0.00 177.93 179.17 3dga h MET 531 N 0.14 -0.74 -0.62 2.45 2.07 -0.93 0.31 114.93 117.61 3dga h MET 531 Ca 0.06 0.05 0.06 0.00 -2.07 0.00 0.00 59.70 57.79 3dga h MET 531 Cb 0.10 0.17 -0.05 0.00 -1.87 0.00 0.00 31.60 29.95 3dga h MET 531 CO -0.01 -0.49 0.33 0.82 1.07 0.00 0.00 176.91 178.63 3dga h ILE 532 N -0.77 0.95 -0.45 -1.22 1.08 -1.05 -1.88 117.51 114.17 3dga h ILE 532 Ca -0.01 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3dga h ILE 532 Cb 0.74 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3dga h ILE 532 CO -0.18 0.11 0.25 0.00 -0.69 0.00 0.00 178.15 177.64 3dga h ALA 533 N 1.33 0.57 -0.50 1.87 0.00 -0.59 -2.57 119.26 119.37 3dga h ALA 533 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3dga h ALA 533 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dga h ALA 533 CO -0.18 -0.08 0.00 0.37 0.00 0.00 0.00 179.25 179.36 3dga h GLN 534 N 0.50 0.89 0.00 0.00 4.15 0.24 0.13 115.11 121.01 3dga h GLN 534 Ca 0.19 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3dga h GLN 534 Cb 0.05 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3dga h GLN 534 CO -0.11 0.92 0.00 1.33 -1.93 0.00 0.00 178.83 179.04 3dga n VAL 535 N -4.32 0.10 -0.02 2.39 0.24 -0.77 -2.05 118.33 113.90 3dga n VAL 535 Ca 0.01 0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.35 3dga n VAL 535 Cb 0.31 -0.63 0.04 0.00 -1.47 0.00 0.00 33.84 32.09 3dga n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dga n ASN 537 N -0.16 -1.57 -4.41 0.00 3.02 -0.78 -4.90 115.26 106.46 3dga n ASN 537 Ca 0.03 -0.82 -0.20 0.00 -0.03 0.00 0.00 54.58 53.56 3dga n ASN 537 Cb 0.27 -3.99 -0.10 0.00 -0.61 0.00 0.00 39.78 35.34 3dga n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dga s LEU 538 N -6.76 2.29 -0.13 3.41 1.43 0.39 -5.01 118.68 114.29 3dga s LEU 538 Ca 0.08 -1.27 -0.05 0.00 -1.03 0.00 0.00 54.13 51.86 3dga s LEU 538 Cb -0.04 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 3dga s LEU 538 CO 0.82 -0.49 0.07 -1.10 0.23 0.00 0.00 176.35 175.88 3dga s GLN 539 N -3.83 3.46 0.36 1.70 -1.52 0.13 -4.13 119.66 115.83 3dga s GLN 539 Ca 0.32 -0.28 -0.27 0.00 -1.95 0.00 0.00 55.36 53.18 3dga s GLN 539 Cb 0.06 -3.07 -0.09 0.00 -0.22 0.00 0.00 33.01 29.69 3dga s GLN 539 CO 0.12 0.60 1.14 -1.25 -0.25 0.00 0.00 175.29 175.66 3dga s PRO 540 N -0.56 4.27 0.00 2.91 0.04 -1.26 0.07 135.00 140.48 3dga s PRO 540 Ca 0.11 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3dga s PRO 540 Cb -0.12 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3dga s PRO 540 CO 0.02 -0.12 0.00 0.00 0.04 0.00 0.00 177.00 176.94 3dga n ALA 541 N 0.44 0.50 -2.63 8.56 0.00 0.25 -4.05 120.51 123.58 3dga n ALA 541 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 3dga n ALA 541 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 3dga n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dga s GLN 542 N 0.17 2.32 -0.22 0.00 -0.21 -1.25 0.52 119.66 120.99 3dga s GLN 542 Ca 0.00 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.35 3dga s GLN 542 Cb 0.00 -2.36 0.04 0.00 1.00 0.00 0.00 33.01 31.69 3dga s GLN 542 CO 0.00 0.49 -0.13 0.12 -2.12 0.00 0.00 175.29 173.65 3dga s PHE 543 N -1.49 2.83 -0.20 0.91 5.36 -0.72 -1.08 117.98 123.59 3dga s PHE 543 Ca 0.25 -1.88 -0.08 0.00 -0.96 0.00 0.00 56.93 54.26 3dga s PHE 543 Cb -0.10 -1.82 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 3dga s PHE 543 CO 0.17 -0.81 0.07 0.42 -1.46 0.00 0.00 175.22 173.61 3dga s ILE 544 N 1.26 4.77 -0.25 3.12 1.01 0.17 -2.07 121.20 129.21 3dga s ILE 544 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 3dga s ILE 544 Cb -0.17 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3dga s ILE 544 CO -0.08 0.43 -0.02 -2.28 0.00 0.00 0.00 174.94 172.98 3dga s HIS 545 N 0.66 3.06 -0.30 3.97 2.46 0.90 -0.92 115.29 125.12 3dga s HIS 545 Ca 0.04 -1.27 -0.08 0.00 0.47 0.00 0.00 55.06 54.22 3dga s HIS 545 Cb -0.13 -2.12 -0.00 0.00 -0.13 0.00 0.00 32.58 30.20 3dga s HIS 545 CO 0.02 -0.65 0.11 0.08 -2.47 0.00 0.00 174.74 171.83 3dga s VAL 546 N 1.40 4.32 -0.13 0.89 1.01 -0.42 -0.42 120.40 127.05 3dga s VAL 546 Ca 0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3dga s VAL 546 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3dga s VAL 546 CO -0.02 0.11 0.34 -0.76 0.00 0.00 0.00 175.10 174.76 3dga s LEU 547 N 1.57 4.29 0.00 3.92 1.43 -0.34 -1.03 118.68 128.51 3dga s LEU 547 Ca 0.04 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3dga s LEU 547 Cb -0.17 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3dga s LEU 547 CO 0.04 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3dga n GLY 548 N 3.10 0.87 3.58 -3.19 0.00 0.80 -2.14 105.19 108.20 3dga n GLY 548 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3dga n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dga s ASN 549 N -1.00 6.46 -0.30 1.61 3.84 -0.05 -1.71 114.94 123.79 3dga s ASN 549 Ca 0.00 0.11 -0.10 0.00 0.21 0.00 0.00 52.86 53.08 3dga s ASN 549 Cb 0.00 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.14 3dga s ASN 549 CO 0.00 -1.41 0.16 0.00 -2.79 0.00 0.00 177.10 173.06 3dga s ALA 550 N 4.75 3.36 0.10 1.71 0.00 -0.46 -0.97 121.76 130.26 3dga s ALA 550 Ca 0.42 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3dga s ALA 550 Cb -0.08 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 3dga s ALA 550 CO 0.26 -0.76 -0.11 -3.38 0.00 0.00 0.00 175.76 171.76 3dga s HIS 551 N 1.67 1.14 -0.22 0.00 -3.43 -0.73 -0.62 115.29 113.11 3dga s HIS 551 Ca 0.06 -0.62 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 3dga s HIS 551 Cb -0.17 -0.62 0.04 0.00 -1.43 0.00 0.00 32.58 30.41 3dga s HIS 551 CO 0.08 0.04 -0.14 0.08 -2.00 0.00 0.00 174.74 172.80 3dga s VAL 552 N -2.31 1.96 0.41 -5.38 1.01 0.17 -1.81 120.40 114.45 3dga s VAL 552 Ca 0.06 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.56 3dga s VAL 552 Cb -0.04 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 3dga s VAL 552 CO 0.01 0.21 1.41 -0.31 0.00 0.00 0.00 175.10 176.42 3dga s TYR 553 N 1.26 2.62 0.38 5.22 2.02 -1.26 -1.76 117.35 125.83 3dga s TYR 553 Ca -0.02 1.28 0.07 0.00 -0.37 0.00 0.00 57.07 58.03 3dga s TYR 553 Cb -0.17 -3.88 0.80 0.00 -0.40 0.00 0.00 41.96 38.32 3dga s TYR 553 CO -0.09 -2.68 1.98 -0.91 -1.57 0.00 0.00 175.55 172.28 3dga h ASN 554 N 2.68 0.59 0.00 2.29 2.35 -1.67 -1.38 115.58 120.43 3dga h ASN 554 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3dga h ASN 554 Cb 1.25 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3dga h ASN 554 CO 0.63 0.38 0.00 -0.46 -1.65 0.00 0.00 177.43 176.33 3dga n ASN 555 N -4.48 0.76 0.00 5.81 6.94 -1.26 -2.64 115.26 120.39 3dga n ASN 555 Ca 0.09 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 3dga n ASN 555 Cb 0.22 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3dga n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3dga n HIS 556 N -0.02 0.00 -0.01 -2.53 8.25 -0.52 -4.29 115.22 116.10 3dga n HIS 556 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3dga n HIS 556 Cb 0.19 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 3dga n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dga h ILE 557 N 0.00 0.19 -0.83 1.59 2.04 -1.56 -0.16 117.51 118.78 3dga h ILE 557 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 3dga h ILE 557 Cb 0.00 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 3dga h ILE 557 CO 0.00 0.00 0.55 0.44 0.00 0.00 0.00 178.15 179.14 3dga h ASP 558 N -0.44 0.46 0.04 1.72 3.32 -1.88 0.13 116.42 119.77 3dga h ASP 558 Ca 0.09 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3dga h ASP 558 Cb 0.60 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.10 3dga h ASP 558 CO -0.40 0.22 -0.46 0.28 -1.72 0.00 0.00 179.24 177.16 3dga h SER 559 N 0.48 0.34 -0.65 6.45 0.02 -1.70 -3.02 113.55 115.47 3dga h SER 559 Ca 0.42 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3dga h SER 559 Cb 0.91 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 3dga h SER 559 CO -0.16 1.15 0.43 -0.07 -1.14 0.00 0.00 176.83 177.04 3dga h LEU 560 N -0.44 0.64 -0.61 5.07 3.38 -0.30 -0.56 115.31 122.50 3dga h LEU 560 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dga h LEU 560 Cb 1.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3dga h LEU 560 CO 0.09 0.44 0.36 0.11 0.09 0.00 0.00 178.44 179.52 3dga h LYS 561 N 0.74 0.83 -0.19 1.13 1.57 -0.81 0.26 116.57 120.10 3dga h LYS 561 Ca 0.27 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3dga h LYS 561 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3dga h LYS 561 CO -0.08 0.61 -0.06 0.82 -0.57 0.00 0.00 179.45 180.17 3dga h ILE 562 N 0.82 1.16 0.02 1.86 2.04 -1.03 -2.98 117.51 119.40 3dga h ILE 562 Ca 0.22 -0.66 -0.27 0.00 1.00 0.00 0.00 64.86 65.14 3dga h ILE 562 Cb 0.00 1.08 0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3dga h ILE 562 CO -0.04 0.21 -1.08 -0.61 0.00 0.00 0.00 178.15 176.64 3dga h GLN 563 N 0.28 0.68 0.00 2.37 4.15 0.14 -3.23 115.11 119.50 3dga h GLN 563 Ca 0.06 -0.76 0.00 0.00 0.77 0.00 0.00 58.65 58.72 3dga h GLN 563 Cb 0.29 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3dga h GLN 563 CO 0.01 1.33 0.00 1.25 -1.93 0.00 0.00 178.83 179.49 3dga h LEU 564 N 0.37 0.00 -3.22 -2.39 5.85 -0.39 -1.30 115.31 114.23 3dga h LEU 564 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3dga h LEU 564 Cb 1.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.76 3dga h LEU 564 CO 0.21 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.90 3dga n ASN 565 N -2.76 4.85 -4.60 1.25 3.02 -1.21 -4.24 115.26 111.57 3dga n ASN 565 Ca -0.02 -2.56 -0.34 0.00 -0.03 0.00 0.00 54.58 51.62 3dga n ASN 565 Cb 0.08 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 3dga n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dga s ARG 566 N -2.06 3.27 -0.14 3.52 0.52 -0.49 -4.76 118.95 118.80 3dga s ARG 566 Ca 0.50 -0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 55.02 3dga s ARG 566 Cb 0.34 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 3dga s ARG 566 CO 0.22 0.51 0.76 0.42 0.02 0.00 0.00 175.30 177.23 3dga s ILE 567 N -0.35 4.95 0.63 1.52 1.01 -1.26 -4.94 121.20 122.75 3dga s ILE 567 Ca 0.06 1.51 -0.18 0.00 0.00 0.00 0.00 60.65 62.04 3dga s ILE 567 Cb -0.12 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3dga s ILE 567 CO 0.02 0.11 1.12 -2.65 0.00 0.00 0.00 174.94 173.54 3dga n PRO 568 N 4.78 0.99 -4.08 2.79 -0.02 -1.26 -4.90 135.00 133.30 3dga n PRO 568 Ca 0.02 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 3dga n PRO 568 Cb 0.50 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3dga n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dga s TYR 569 N -1.46 3.19 0.33 6.00 2.02 -1.26 -5.05 117.35 121.12 3dga s TYR 569 Ca 0.79 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 57.15 3dga s TYR 569 Cb -0.40 -1.47 -0.13 0.00 -0.40 0.00 0.00 41.96 39.56 3dga s TYR 569 CO 0.44 0.51 1.29 -0.35 -1.57 0.00 0.00 175.55 175.87 3dga n PRO 570 N -0.89 2.07 -0.82 -1.71 -0.04 -1.26 -4.89 135.00 127.47 3dga n PRO 570 Ca -0.08 0.73 -0.31 0.00 -0.04 0.00 0.00 63.50 63.80 3dga n PRO 570 Cb 0.56 -2.30 0.15 0.00 -0.04 0.00 0.00 33.50 31.87 3dga n PRO 570 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dga s PHE 571 N -0.96 1.82 0.00 0.54 0.08 -1.26 -4.61 117.98 113.59 3dga s PHE 571 Ca 0.57 1.74 0.00 0.00 0.12 0.00 0.00 56.93 59.36 3dga s PHE 571 Cb -0.59 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 3dga s PHE 571 CO 0.60 -2.61 0.00 -0.35 -0.10 0.00 0.00 175.22 172.77 3dga n PRO 572 N -4.09 1.73 -3.90 0.24 -0.04 -1.25 -4.86 135.00 122.82 3dga n PRO 572 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3dga n PRO 572 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 3dga n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dga s THR 573 N 0.63 0.14 -0.13 0.52 -4.23 -0.83 -2.56 115.64 109.19 3dga s THR 573 Ca 0.00 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3dga s THR 573 Cb 0.00 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 3dga s THR 573 CO 0.00 -0.64 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.13 3dga s LEU 574 N -2.52 2.97 -0.18 4.79 2.96 -1.26 -0.86 118.68 124.58 3dga s LEU 574 Ca 0.01 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3dga s LEU 574 Cb 0.03 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3dga s LEU 574 CO -0.08 0.20 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.28 3dga s LYS 575 N 0.15 3.26 -0.12 1.98 2.20 0.35 -4.99 119.74 122.57 3dga s LYS 575 Ca -0.04 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.83 3dga s LYS 575 Cb -0.14 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 3dga s LYS 575 CO 0.04 -0.07 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.44 3dga s LEU 576 N 1.05 3.44 -0.20 5.43 1.43 -1.26 -1.47 118.68 127.10 3dga s LEU 576 Ca -0.00 0.03 -0.38 0.00 -1.03 0.00 0.00 54.13 52.74 3dga s LEU 576 Cb -0.15 -1.80 -0.14 0.00 0.03 0.00 0.00 46.19 44.13 3dga s LEU 576 CO -0.03 0.29 1.81 -3.20 0.23 0.00 0.00 176.35 175.45 3dga n ASN 577 N 2.75 2.84 -0.28 2.29 2.85 -0.37 -4.84 115.26 120.52 3dga n ASN 577 Ca -0.18 1.02 0.03 0.00 -0.11 0.00 0.00 54.58 55.35 3dga n ASN 577 Cb 0.53 -1.24 0.24 0.00 1.24 0.00 0.00 39.78 40.56 3dga n ASN 577 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3dga h PRO 578 N 8.16 0.99 -0.59 1.20 0.11 -1.96 -3.17 132.00 136.73 3dga h PRO 578 Ca -0.47 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.66 3dga h PRO 578 Cb 1.30 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 3dga h PRO 578 CO 0.96 0.66 0.25 -0.44 -0.21 0.00 0.00 178.00 179.22 3dga h ASP 579 N 1.02 0.30 -1.61 -2.05 3.32 -2.02 -3.42 116.42 111.96 3dga h ASP 579 Ca 0.36 0.06 -0.68 0.00 0.02 0.00 0.00 57.03 56.79 3dga h ASP 579 Cb 0.12 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.69 3dga h ASP 579 CO -0.12 0.19 1.12 -0.38 -1.72 0.00 0.00 179.24 178.33 3dga n ILE 580 N -4.94 0.38 -0.34 0.35 2.08 -1.20 -4.82 119.36 110.87 3dga n ILE 580 Ca 0.08 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.26 3dga n ILE 580 Cb 0.23 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 3dga n ILE 580 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3dga n LYS 581 N 6.63 -0.08 -5.04 0.38 4.76 -1.26 -4.67 118.16 118.88 3dga n LYS 581 Ca 0.29 -0.51 -0.29 0.00 -2.87 0.00 0.00 58.31 54.92 3dga n LYS 581 Cb 0.22 -0.83 -0.17 0.00 -1.84 0.00 0.00 35.03 32.41 3dga n LYS 581 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3dga s ASN 582 N -0.14 2.67 0.60 4.39 3.84 -1.26 -4.64 114.94 120.39 3dga s ASN 582 Ca 0.00 -0.46 0.29 0.00 0.21 0.00 0.00 52.86 52.90 3dga s ASN 582 Cb 0.00 -1.05 1.58 0.00 -0.55 0.00 0.00 41.25 41.23 3dga s ASN 582 CO 0.00 0.15 1.98 -0.29 -2.79 0.00 0.00 177.10 176.15 3dga h ILE 583 N 5.56 0.34 -0.01 -5.21 6.09 -1.92 -0.03 117.51 122.33 3dga h ILE 583 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 3dga h ILE 583 Cb 1.21 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.20 3dga h ILE 583 CO 0.47 0.00 -0.27 -0.62 -3.07 0.00 0.00 178.15 174.67 3dga n GLU 584 N -3.62 0.65 -0.09 2.19 1.02 -1.26 -4.19 120.64 115.34 3dga n GLU 584 Ca 0.04 -0.35 0.11 0.00 -0.02 0.00 0.00 57.16 56.94 3dga n GLU 584 Cb 0.50 -1.49 0.34 0.00 -0.02 0.00 0.00 31.44 30.76 3dga n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dga n ASP 585 N -0.87 2.10 -4.79 1.62 8.00 -0.03 -4.96 116.55 117.63 3dga n ASP 585 Ca 0.11 -1.77 -0.35 0.00 0.71 0.00 0.00 54.79 53.50 3dga n ASP 585 Cb 0.33 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3dga n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 586 N -1.76 2.98 0.13 1.24 0.08 -1.26 -4.99 117.98 114.41 3dga s PHE 586 Ca 0.34 1.58 -0.01 0.00 0.12 0.00 0.00 56.93 58.96 3dga s PHE 586 Cb 0.19 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3dga s PHE 586 CO 0.28 -0.94 0.04 0.95 -0.10 0.00 0.00 175.22 175.45 3dga s THR 587 N -1.88 0.21 0.43 0.64 -4.23 -1.26 -5.05 115.64 104.50 3dga s THR 587 Ca 0.66 -1.91 0.15 0.00 -1.18 0.00 0.00 61.69 59.41 3dga s THR 587 Cb -0.19 -2.00 0.35 0.00 1.34 0.00 0.00 72.50 71.99 3dga s THR 587 CO 0.23 -0.52 1.94 -0.29 -0.54 0.00 0.00 174.62 175.43 3dga h ILE 588 N 2.87 0.83 0.00 2.99 6.09 -1.97 -1.22 117.51 127.09 3dga h ILE 588 Ca -0.35 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3dga h ILE 588 Cb 1.19 0.37 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3dga h ILE 588 CO 0.60 0.08 0.00 -1.54 -3.07 0.00 0.00 178.15 174.22 3dga n SER 589 N -4.48 0.49 -0.11 2.19 3.41 -1.26 -2.97 113.62 110.89 3dga n SER 589 Ca 0.13 0.61 0.15 0.00 -0.26 0.00 0.00 58.87 59.50 3dga n SER 589 Cb 0.48 -0.72 0.81 0.00 -0.26 0.00 0.00 64.21 64.52 3dga n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dga n ASP 590 N -2.02 0.37 -4.33 4.04 8.00 -0.46 -4.78 116.55 117.37 3dga n ASP 590 Ca 0.03 -1.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.20 3dga n ASP 590 Cb 0.24 -0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 3dga n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 591 N -2.09 2.77 -0.03 1.24 0.40 -1.16 -1.24 117.98 117.88 3dga s PHE 591 Ca 0.42 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 3dga s PHE 591 Cb 0.21 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.93 3dga s PHE 591 CO 0.38 -0.29 -0.03 0.99 0.70 0.00 0.00 175.22 176.97 3dga s THR 592 N 0.44 0.40 -0.19 0.64 2.01 -0.54 -5.00 115.64 113.40 3dga s THR 592 Ca -0.11 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 3dga s THR 592 Cb -0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3dga s THR 592 CO 0.05 0.18 0.08 -0.63 -0.69 0.00 0.00 174.62 173.61 3dga s ILE 593 N 0.71 4.97 0.03 1.82 -1.09 -1.26 -0.49 121.20 125.89 3dga s ILE 593 Ca -0.08 0.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.45 3dga s ILE 593 Cb -0.12 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3dga s ILE 593 CO -0.00 0.46 -0.24 -1.10 -1.23 0.00 0.00 174.94 172.82 3dga s GLN 594 N 0.34 1.91 -1.39 2.79 -0.21 -0.04 -4.77 119.66 118.30 3dga s GLN 594 Ca 0.05 -1.05 -0.05 0.00 0.02 0.00 0.00 55.36 54.32 3dga s GLN 594 Cb -0.12 -2.04 0.03 0.00 1.00 0.00 0.00 33.01 31.88 3dga s GLN 594 CO -0.01 0.53 0.82 0.09 -2.12 0.00 0.00 175.29 174.60 3dga n ASN 595 N 1.82 -2.65 -4.49 5.90 3.02 -1.26 -1.96 115.26 115.63 3dga n ASN 595 Ca -0.17 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 3dga n ASN 595 Cb 0.52 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 3dga n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dga s TYR 596 N -3.53 2.73 -0.19 3.10 5.04 -1.26 -4.15 117.35 119.10 3dga s TYR 596 Ca 0.26 -0.84 -0.19 0.00 -2.44 0.00 0.00 57.07 53.86 3dga s TYR 596 Cb -0.13 -4.44 -0.03 0.00 0.35 0.00 0.00 41.96 37.71 3dga s TYR 596 CO 0.81 -1.73 0.53 0.08 -1.34 0.00 0.00 175.55 173.91 3dga s VAL 597 N 4.06 5.10 0.20 3.14 1.01 -1.26 -5.05 120.40 127.60 3dga s VAL 597 Ca 0.34 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 3dga s VAL 597 Cb -0.07 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3dga s VAL 597 CO -0.01 0.19 0.24 -1.38 0.00 0.00 0.00 175.10 174.14 3dga s HIS 598 N 1.53 0.80 0.76 5.22 -3.43 -1.26 -4.72 115.29 114.19 3dga s HIS 598 Ca 0.25 -1.10 -0.07 0.00 -0.80 0.00 0.00 55.06 53.34 3dga s HIS 598 Cb -0.15 -0.27 0.10 0.00 -1.43 0.00 0.00 32.58 30.83 3dga s HIS 598 CO 0.10 -0.74 1.07 -1.01 -2.00 0.00 0.00 174.74 172.16 3dga s HIS 599 N -4.08 2.36 1.03 0.38 3.76 0.41 -4.98 115.29 114.18 3dga s HIS 599 Ca 0.30 0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 55.34 3dga s HIS 599 Cb 0.04 -3.34 0.21 0.00 1.11 0.00 0.00 32.58 30.60 3dga s HIS 599 CO 0.09 -1.72 1.09 -1.83 -0.85 0.00 0.00 174.74 171.51 3dga s GLU 600 N -5.35 0.14 0.86 1.40 -1.05 -1.26 -3.42 118.70 110.01 3dga s GLU 600 Ca 0.64 0.47 -0.10 0.00 -0.15 0.00 0.00 54.97 55.83 3dga s GLU 600 Cb -0.08 -1.71 0.11 0.00 -0.44 0.00 0.00 34.13 32.01 3dga s GLU 600 CO 0.46 -2.92 1.13 0.15 0.95 0.00 0.00 175.26 175.03 3dga s LYS 601 N -4.96 1.48 -0.21 -4.83 1.02 -1.26 -3.34 119.74 107.64 3dga s LYS 601 Ca 0.66 1.41 -0.04 0.00 0.02 0.00 0.00 55.97 58.02 3dga s LYS 601 Cb -0.19 -1.79 0.10 0.00 -0.52 0.00 0.00 37.83 35.44 3dga s LYS 601 CO 0.58 -2.26 0.27 0.42 -0.92 0.00 0.00 175.35 173.44 3dga s ILE 602 N -2.75 -0.42 -0.22 2.17 1.01 -1.26 -4.86 121.20 114.87 3dga s ILE 602 Ca 0.65 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 3dga s ILE 602 Cb -0.21 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3dga s ILE 602 CO 0.57 -0.16 1.30 -0.44 0.00 0.00 0.00 174.94 176.22 3dga s SER 603 N 2.40 6.80 0.56 3.58 0.01 -1.26 -4.87 113.70 120.92 3dga s SER 603 Ca 0.08 1.49 0.32 0.00 1.31 0.00 0.00 55.95 59.16 3dga s SER 603 Cb -0.15 -2.54 1.62 0.00 0.21 0.00 0.00 66.02 65.16 3dga s SER 603 CO -0.13 -0.92 2.11 0.24 0.41 0.00 0.00 173.24 174.95 3dga h MET 604 N 8.80 0.00 -0.89 12.44 0.00 -1.93 -2.60 114.93 130.75 3dga h MET 604 Ca -0.27 0.00 -0.55 0.00 0.00 0.00 0.00 59.70 58.89 3dga h MET 604 Cb 1.10 0.00 -0.29 0.00 0.00 0.00 0.00 31.60 32.42 3dga h MET 604 CO 1.00 0.07 0.50 -0.25 0.00 0.00 0.00 176.91 178.23 3dga n ASP 605 N -3.39 5.41 0.00 1.22 8.00 -1.26 -4.09 116.55 122.44 3dga n ASP 605 Ca -0.01 -3.73 0.00 0.00 0.71 0.00 0.00 54.79 51.76 3dga n ASP 605 Cb 0.22 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3dga n ASP 605 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96