#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3i s ASP 282 N 0.00 6.07 -0.03 1.67 -4.77 -1.26 -5.07 116.67 113.28 1j3i s ASP 282 Ca 0.00 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.14 1j3i s ASP 282 Cb 0.00 -2.14 0.03 0.00 -1.09 0.00 0.00 42.92 39.72 1j3i s ASP 282 CO 0.00 -0.14 -0.00 -1.81 0.70 0.00 0.00 175.17 173.91 1j3i s ASP 283 N 1.74 0.56 -0.00 2.11 1.01 -1.26 -5.09 116.67 115.74 1j3i s ASP 283 Ca 0.08 -0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 1j3i s ASP 283 Cb -0.16 -0.26 -0.01 0.00 1.01 0.00 0.00 42.92 43.50 1j3i s ASP 283 CO 0.11 -0.10 0.43 -0.78 0.21 0.00 0.00 175.17 175.04 1j3i h ASP 284 N 7.33 -0.06 0.00 0.27 1.82 -2.05 -3.35 116.42 120.39 1j3i h ASP 284 Ca -0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1j3i h ASP 284 Cb 1.13 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1j3i h ASP 284 CO 0.45 -0.00 0.00 -1.84 -1.61 0.00 0.00 179.24 176.24 1j3i n GLU 285 N -2.38 0.31 0.00 0.28 0.28 -1.26 -2.16 120.64 115.70 1j3i n GLU 285 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.12 1j3i n GLU 285 Cb 0.03 -1.23 0.76 0.00 1.43 0.00 0.00 31.44 32.43 1j3i n GLU 285 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1j3i n GLU 286 N -0.73 0.82 0.07 3.44 1.02 -1.26 -0.36 120.64 123.63 1j3i n GLU 286 Ca 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 1j3i n GLU 286 Cb 0.02 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 1j3i n GLU 286 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1j3i h GLU 287 N 0.00 0.18 -0.25 3.49 5.08 -1.70 -3.17 114.58 118.21 1j3i h GLU 287 Ca 0.00 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1j3i h GLU 287 Cb 0.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1j3i h GLU 287 CO 0.00 1.06 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.47 1j3i h ASP 288 N 0.05 0.42 -0.51 1.42 3.32 -0.93 -1.88 116.42 118.31 1j3i h ASP 288 Ca -0.16 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.78 1j3i h ASP 288 Cb 1.95 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.36 1j3i h ASP 288 CO 0.16 0.61 0.34 0.44 -1.72 0.00 0.00 179.24 179.07 1j3i h ASP 289 N 0.40 0.58 -0.33 6.45 3.32 -1.51 -0.26 116.42 125.07 1j3i h ASP 289 Ca 0.07 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1j3i h ASP 289 Cb 0.53 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1j3i h ASP 289 CO 0.03 0.42 0.06 0.15 -1.72 0.00 0.00 179.24 178.18 1j3i h PHE 290 N 0.69 0.58 -0.86 4.55 3.57 -1.40 -1.81 116.94 122.26 1j3i h PHE 290 Ca 0.19 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1j3i h PHE 290 Cb -0.07 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1j3i h PHE 290 CO -0.00 0.62 0.52 0.28 -2.23 0.00 0.00 178.31 177.49 1j3i h VAL 291 N 0.38 1.24 -0.48 1.41 2.07 -1.01 -2.62 116.25 117.24 1j3i h VAL 291 Ca 0.10 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1j3i h VAL 291 Cb 0.35 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1j3i h VAL 291 CO 0.01 0.25 0.25 1.88 0.02 0.00 0.00 177.57 179.98 1j3i h TYR 292 N 1.19 0.67 0.00 1.57 0.05 -0.65 -1.97 116.97 117.83 1j3i h TYR 292 Ca 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1j3i h TYR 292 Cb -0.05 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1j3i h TYR 292 CO 0.01 0.51 0.00 1.19 -1.05 0.00 0.00 178.16 178.82 1j3i n PHE 293 N -4.65 0.00 0.12 4.88 3.72 -0.72 -1.82 117.46 118.99 1j3i n PHE 293 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.50 1j3i n PHE 293 Cb 0.09 -0.32 0.16 0.00 -0.94 0.00 0.00 39.48 38.47 1j3i n PHE 293 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1j3i n ASN 294 N -1.32 2.91 0.26 4.37 3.02 -0.75 -4.64 115.26 119.11 1j3i n ASN 294 Ca 0.03 -1.86 0.15 0.00 -0.03 0.00 0.00 54.58 52.87 1j3i n ASN 294 Cb 0.07 -0.20 0.68 0.00 -0.61 0.00 0.00 39.78 39.72 1j3i n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3i h PHE 295 N 2.98 0.00 -0.61 3.10 -0.00 -1.33 -2.04 116.94 119.03 1j3i h PHE 295 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.75 1j3i h PHE 295 Cb 0.76 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 36.58 1j3i h PHE 295 CO 0.20 0.00 0.21 -1.71 -0.00 0.00 0.00 178.31 177.00 1j3i n ASN 296 N -3.03 3.93 -4.81 -0.68 5.15 -1.26 -5.00 115.26 109.55 1j3i n ASN 296 Ca 0.01 -3.39 -0.36 0.00 -0.60 0.00 0.00 54.58 50.25 1j3i n ASN 296 Cb 0.57 -0.70 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 1j3i n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j3i s LYS 297 N -3.08 4.28 0.78 1.20 -0.14 -0.77 -5.05 119.74 116.96 1j3i s LYS 297 Ca 0.51 0.94 -0.13 0.00 -1.36 0.00 0.00 55.97 55.93 1j3i s LYS 297 Cb 0.42 -2.77 0.07 0.00 -1.68 0.00 0.00 37.83 33.87 1j3i s LYS 297 CO 0.09 0.32 1.17 -1.21 -0.76 0.00 0.00 175.35 174.96 1j3i s GLU 298 N -2.19 1.87 -0.00 1.68 2.02 -1.26 -5.01 118.70 115.82 1j3i s GLU 298 Ca 0.47 1.60 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1j3i s GLU 298 Cb -0.16 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.26 1j3i s GLU 298 CO 0.21 -2.01 0.61 0.36 0.02 0.00 0.00 175.26 174.46 1j3i n LYS 299 N -3.24 0.64 -0.35 1.61 2.85 -1.26 -5.13 118.16 113.28 1j3i n LYS 299 Ca 0.12 -0.73 -0.28 0.00 -1.05 0.00 0.00 58.31 56.38 1j3i n LYS 299 Cb 0.51 -0.61 0.26 0.00 -0.65 0.00 0.00 35.03 34.54 1j3i n LYS 299 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1j3i n GLU 300 N -0.11 -3.79 -0.04 -1.58 1.02 -1.26 -5.03 120.64 109.86 1j3i n GLU 300 Ca 0.00 -1.12 -0.05 0.00 -0.02 0.00 0.00 57.16 55.98 1j3i n GLU 300 Cb 0.45 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 1j3i n GLU 300 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1j3i n GLU 301 N -4.68 1.51 -2.50 3.49 0.28 -1.26 -4.78 120.64 112.69 1j3i n GLU 301 Ca 0.09 0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.70 1j3i n GLU 301 Cb 0.54 -1.17 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 1j3i n GLU 301 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1j3i s LYS 302 N -2.16 3.43 0.32 3.44 -2.85 -1.26 -4.88 119.74 115.78 1j3i s LYS 302 Ca -0.08 0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.95 1j3i s LYS 302 Cb 0.02 -4.06 -0.10 0.00 -2.06 0.00 0.00 37.83 31.63 1j3i s LYS 302 CO 0.23 -1.79 1.29 1.21 0.10 0.00 0.00 175.35 176.40 1j3i s ASN 303 N 3.58 6.81 0.00 0.03 3.84 -1.26 -4.77 114.94 123.16 1j3i s ASN 303 Ca 0.47 2.65 0.00 0.00 0.21 0.00 0.00 52.86 56.19 1j3i s ASN 303 Cb -0.09 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 1j3i s ASN 303 CO 0.25 -0.51 0.00 0.29 -2.79 0.00 0.00 177.10 174.35 1j3i n LYS 304 N 0.89 0.00 -0.46 0.43 5.02 -1.26 -3.19 118.16 119.59 1j3i n LYS 304 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1j3i n LYS 304 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.46 1j3i n LYS 304 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3i n ASN 305 N -1.86 4.26 -3.56 4.39 3.02 -1.26 -4.93 115.26 115.31 1j3i n ASN 305 Ca 0.00 -2.53 -0.22 0.00 -0.03 0.00 0.00 54.58 51.80 1j3i n ASN 305 Cb 0.00 -0.78 0.05 0.00 -0.61 0.00 0.00 39.78 38.44 1j3i n ASN 305 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j3i n SER 306 N 0.41 -3.60 -4.56 6.41 3.41 -1.19 -5.01 113.62 109.49 1j3i n SER 306 Ca 0.15 -0.83 -0.34 0.00 -0.26 0.00 0.00 58.87 57.59 1j3i n SER 306 Cb 0.69 -4.26 -0.11 0.00 -0.26 0.00 0.00 64.21 60.27 1j3i n SER 306 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1j3i s ILE 307 N -3.53 4.11 0.09 -1.33 1.01 -1.26 -5.10 121.20 115.19 1j3i s ILE 307 Ca 0.23 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.33 1j3i s ILE 307 Cb -0.06 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 1j3i s ILE 307 CO 0.80 0.51 0.80 -1.00 0.00 0.00 0.00 174.94 176.05 1j3i s HIS 308 N 0.11 3.80 0.57 3.97 3.76 -1.26 -4.86 115.29 121.37 1j3i s HIS 308 Ca 0.01 1.57 0.38 0.00 -0.15 0.00 0.00 55.06 56.87 1j3i s HIS 308 Cb -0.13 -2.84 1.48 0.00 1.11 0.00 0.00 32.58 32.20 1j3i s HIS 308 CO 0.02 0.33 1.65 -1.35 -0.85 0.00 0.00 174.74 174.54 1j3i h PRO 309 N 5.27 0.00 -0.63 8.40 0.11 -2.01 0.65 132.00 143.79 1j3i h PRO 309 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j3i h PRO 309 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j3i h PRO 309 CO 0.70 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.58 1j3i n ASN 310 N -3.86 3.75 0.21 -2.05 3.02 -1.26 -4.32 115.26 110.75 1j3i n ASN 310 Ca 0.29 -1.99 0.06 0.00 -0.03 0.00 0.00 54.58 52.91 1j3i n ASN 310 Cb 1.47 -0.42 0.44 0.00 -0.61 0.00 0.00 39.78 40.67 1j3i n ASN 310 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1j3i h ASP 311 N 4.06 0.00 -1.19 6.41 3.32 -1.25 -3.11 116.42 124.65 1j3i h ASP 311 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1j3i h ASP 311 Cb 0.96 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.08 1j3i h ASP 311 CO 0.00 0.31 -0.79 0.49 -1.72 0.00 0.00 179.24 177.53 1j3i n PHE 312 N -3.76 3.04 0.18 4.55 3.72 -1.26 -4.89 117.46 119.05 1j3i n PHE 312 Ca -0.01 -2.75 -0.14 0.00 -0.05 0.00 0.00 57.45 54.49 1j3i n PHE 312 Cb 0.40 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1j3i n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1j3i h GLN 313 N 2.45 -0.43 -0.07 -1.08 4.15 -1.78 0.11 115.11 118.46 1j3i h GLN 313 Ca 0.30 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.74 1j3i h GLN 313 Cb 1.17 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1j3i h GLN 313 CO 0.79 -0.29 -0.01 0.82 -1.93 0.00 0.00 178.83 178.21 1j3i h ILE 314 N -0.45 1.28 -0.58 2.39 2.04 -1.89 -0.92 117.51 119.38 1j3i h ILE 314 Ca -0.03 -0.90 0.12 0.00 1.00 0.00 0.00 64.86 65.05 1j3i h ILE 314 Cb 0.37 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 1j3i h ILE 314 CO 0.02 0.25 0.06 0.22 0.00 0.00 0.00 178.15 178.70 1j3i h TYR 315 N -0.19 0.07 0.00 1.37 3.20 -1.71 0.09 116.97 119.80 1j3i h TYR 315 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1j3i h TYR 315 Cb 0.40 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1j3i h TYR 315 CO 0.05 -0.10 0.00 0.09 -1.64 0.00 0.00 178.16 176.56 1j3i n ASN 316 N -5.20 0.46 0.10 -2.11 3.02 0.02 -3.59 115.26 107.96 1j3i n ASN 316 Ca 0.08 0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 55.13 1j3i n ASN 316 Cb 0.33 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 38.88 1j3i n ASN 316 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1j3i h SER 317 N 0.00 0.07 -4.04 6.41 4.64 0.48 -3.45 113.55 117.67 1j3i h SER 317 Ca 0.00 -0.06 -0.54 0.00 -0.47 0.00 0.00 61.79 60.73 1j3i h SER 317 Cb 0.62 -0.02 0.11 0.00 -0.31 0.00 0.00 62.40 62.80 1j3i h SER 317 CO 0.00 0.82 0.56 -0.76 -0.87 0.00 0.00 176.83 176.58 1j3i s LEU 318 N -7.35 3.88 -0.18 5.97 1.43 -1.13 -4.97 118.68 116.33 1j3i s LEU 318 Ca -0.01 2.59 -0.14 0.00 -1.03 0.00 0.00 54.13 55.54 1j3i s LEU 318 Cb 0.11 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 1j3i s LEU 318 CO 0.79 -1.39 -0.10 1.17 0.23 0.00 0.00 176.35 177.05 1j3i n LYS 319 N -0.94 0.50 -3.99 1.70 3.00 -1.26 -4.88 118.16 112.30 1j3i n LYS 319 Ca 0.10 0.48 -0.34 0.00 -0.00 0.00 0.00 58.31 58.55 1j3i n LYS 319 Cb 0.46 -1.66 -0.15 0.00 0.00 0.00 0.00 35.03 33.69 1j3i n LYS 319 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1j3i s TYR 320 N -2.38 2.98 -0.80 5.64 2.02 -1.26 -5.04 117.35 118.52 1j3i s TYR 320 Ca -0.22 -1.45 0.02 0.00 -0.37 0.00 0.00 57.07 55.05 1j3i s TYR 320 Cb 0.04 -2.03 0.20 0.00 -0.40 0.00 0.00 41.96 39.77 1j3i s TYR 320 CO 0.37 -0.71 0.65 1.63 -1.57 0.00 0.00 175.55 175.92 1j3i n LYS 321 N 4.68 2.25 0.00 -0.62 5.02 -1.26 -4.89 118.16 123.34 1j3i n LYS 321 Ca -0.18 -4.50 0.12 0.00 -2.02 0.00 0.00 58.31 51.73 1j3i n LYS 321 Cb 0.48 -2.34 0.21 0.00 -0.02 0.00 0.00 35.03 33.36 1j3i n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j3i n TYR 322 N 2.05 0.00 -1.83 2.13 4.01 -1.26 -4.86 117.16 117.40 1j3i n TYR 322 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 1j3i n TYR 322 Cb 0.36 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 1j3i n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3i s HIS 323 N -2.41 2.87 0.52 -0.72 2.46 -1.26 -4.87 115.29 111.88 1j3i s HIS 323 Ca 0.23 0.73 0.30 0.00 0.47 0.00 0.00 55.06 56.79 1j3i s HIS 323 Cb 0.19 -4.02 1.43 0.00 -0.13 0.00 0.00 32.58 30.05 1j3i s HIS 323 CO 0.51 -3.53 1.89 -1.35 -2.47 0.00 0.00 174.74 169.79 1j3i h PRO 324 N 5.47 0.05 0.00 2.88 0.11 -1.97 -0.38 132.00 138.16 1j3i h PRO 324 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j3i h PRO 324 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j3i h PRO 324 CO 0.83 0.03 -0.01 1.49 -0.21 0.00 0.00 178.00 180.14 1j3i h GLU 325 N 0.05 0.00 0.00 1.05 4.81 -1.98 -1.33 114.58 117.19 1j3i h GLU 325 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1j3i h GLU 325 Cb 1.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1j3i h GLU 325 CO -0.03 0.01 0.00 1.88 -0.73 0.00 0.00 179.01 180.14 1j3i h TYR 326 N 0.00 0.00 -0.65 0.92 0.05 -1.39 -1.78 116.97 114.12 1j3i h TYR 326 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1j3i h TYR 326 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1j3i h TYR 326 CO 0.00 0.00 0.10 1.96 -1.05 0.00 0.00 178.16 179.17 1j3i h GLN 327 N 0.00 1.07 0.14 4.88 4.20 -1.43 0.89 115.11 124.86 1j3i h GLN 327 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1j3i h GLN 327 Cb 0.24 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1j3i h GLN 327 CO 0.00 0.98 -0.07 -0.92 -0.67 0.00 0.00 178.83 178.16 1j3i h TYR 328 N 1.00 -0.17 -0.95 2.96 3.20 -1.53 -2.88 116.97 118.59 1j3i h TYR 328 Ca 0.20 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1j3i h TYR 328 Cb 0.44 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 1j3i h TYR 328 CO 0.03 0.29 0.62 -0.07 -1.64 0.00 0.00 178.16 177.39 1j3i h LEU 329 N -0.84 1.01 -1.10 2.82 3.38 -1.30 -1.23 115.31 118.05 1j3i h LEU 329 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1j3i h LEU 329 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1j3i h LEU 329 CO 0.03 0.67 -0.22 0.78 0.09 0.00 0.00 178.44 179.79 1j3i h ASN 330 N 1.16 0.36 -0.53 -0.43 2.35 0.73 -0.74 115.58 118.48 1j3i h ASN 330 Ca 0.39 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 1j3i h ASN 330 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1j3i h ASN 330 CO -0.14 0.59 -0.04 0.40 -1.65 0.00 0.00 177.43 176.59 1j3i h ILE 331 N 0.33 1.26 -0.32 2.81 2.04 -1.02 0.15 117.51 122.76 1j3i h ILE 331 Ca 0.05 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1j3i h ILE 331 Cb 0.58 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1j3i h ILE 331 CO 0.04 0.42 0.08 0.40 0.00 0.00 0.00 178.15 179.08 1j3i h ILE 332 N 0.90 1.22 -0.68 -0.67 2.04 -0.92 -0.51 117.51 118.89 1j3i h ILE 332 Ca 0.16 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1j3i h ILE 332 Cb 0.58 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1j3i h ILE 332 CO 0.03 0.25 0.44 0.22 0.00 0.00 0.00 178.15 179.09 1j3i h TYR 333 N 0.35 0.87 -0.67 1.37 3.20 -0.96 0.11 116.97 121.25 1j3i h TYR 333 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1j3i h TYR 333 Cb 0.30 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1j3i h TYR 333 CO 0.01 0.57 0.36 0.22 -1.64 0.00 0.00 178.16 177.68 1j3i h ASP 334 N 0.93 0.84 -0.14 -2.11 3.58 -0.55 -0.85 116.42 118.12 1j3i h ASP 334 Ca 0.25 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1j3i h ASP 334 Cb -0.08 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1j3i h ASP 334 CO -0.05 0.70 0.00 0.40 -2.88 0.00 0.00 179.24 177.41 1j3i h ILE 335 N 0.92 1.25 -0.60 2.25 2.04 -0.59 0.17 117.51 122.95 1j3i h ILE 335 Ca 0.23 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1j3i h ILE 335 Cb 0.05 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1j3i h ILE 335 CO -0.04 0.24 0.27 0.24 0.00 0.00 0.00 178.15 178.87 1j3i h MET 336 N -0.01 0.48 0.04 2.37 2.86 -0.77 2.67 114.93 122.58 1j3i h MET 336 Ca 0.04 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 1j3i h MET 336 Cb 0.37 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.94 1j3i h MET 336 CO 0.01 0.32 -1.08 0.52 1.06 0.00 0.00 176.91 177.74 1j3i h MET 337 N 0.49 0.52 0.00 1.72 2.86 -1.09 -3.39 114.93 116.04 1j3i h MET 337 Ca 0.29 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1j3i h MET 337 Cb 0.28 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1j3i h MET 337 CO -0.24 1.24 0.00 0.09 1.06 0.00 0.00 176.91 179.06 1j3i n ASN 338 N -3.76 1.02 -4.45 1.22 3.02 0.57 -4.30 115.26 108.58 1j3i n ASN 338 Ca -0.10 -1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 53.03 1j3i n ASN 338 Cb 0.91 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 40.23 1j3i n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3i n GLY 339 N -0.05 -1.73 3.74 7.41 0.00 0.90 -4.96 105.19 110.50 1j3i n GLY 339 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1j3i n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j3i s ASN 340 N -2.16 5.81 -0.07 1.61 0.01 0.31 -4.73 114.94 115.72 1j3i s ASN 340 Ca 0.60 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.70 1j3i s ASN 340 Cb -0.20 -1.87 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 1j3i s ASN 340 CO 0.65 0.32 0.99 -0.54 -1.51 0.00 0.00 177.10 177.01 1j3i s LYS 341 N -0.48 4.46 0.02 -0.60 1.02 -1.26 -0.63 119.74 122.28 1j3i s LYS 341 Ca 0.10 1.39 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 1j3i s LYS 341 Cb -0.12 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1j3i s LYS 341 CO 0.02 -0.23 0.19 -0.65 -0.92 0.00 0.00 175.35 173.76 1j3i s GLN 342 N 1.70 0.63 0.56 1.68 -0.21 -0.73 -4.99 119.66 118.31 1j3i s GLN 342 Ca 0.49 -0.53 -0.05 0.00 0.02 0.00 0.00 55.36 55.29 1j3i s GLN 342 Cb -0.19 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1j3i s GLN 342 CO 0.21 -0.17 0.86 -1.54 -2.12 0.00 0.00 175.29 172.52 1j3i s SER 343 N -1.83 5.68 0.20 5.90 1.04 -1.26 -1.43 113.70 121.99 1j3i s SER 343 Ca -0.08 0.67 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 1j3i s SER 343 Cb -0.03 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 1j3i s SER 343 CO -0.02 -0.97 0.20 1.51 0.98 0.00 0.00 173.24 174.94 1j3i s ASP 344 N -4.28 0.11 0.59 7.02 -4.77 -1.26 -4.85 116.67 109.24 1j3i s ASP 344 Ca 0.53 -1.24 0.31 0.00 -3.30 0.00 0.00 52.55 48.85 1j3i s ASP 344 Cb -0.10 0.41 1.26 0.00 -1.09 0.00 0.00 42.92 43.40 1j3i s ASP 344 CO 0.44 -0.89 1.58 -0.09 0.70 0.00 0.00 175.17 176.91 1j3i h ARG 345 N 2.57 0.00 0.00 2.11 2.43 -2.02 0.54 114.38 120.01 1j3i h ARG 345 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1j3i h ARG 345 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1j3i h ARG 345 CO 0.50 0.00 -0.84 0.25 -1.51 0.00 0.00 179.97 178.37 1j3i n THR 346 N -3.56 0.02 -2.43 0.20 -2.24 -1.26 -4.97 114.28 100.05 1j3i n THR 346 Ca 0.21 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.79 1j3i n THR 346 Cb 1.27 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1j3i n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3i n GLY 347 N 1.48 -0.30 0.11 3.38 0.00 0.19 -4.86 105.19 105.19 1j3i n GLY 347 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1j3i n GLY 347 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j3i n VAL 348 N -4.06 1.46 0.00 1.61 0.31 -1.26 -4.95 118.33 111.43 1j3i n VAL 348 Ca -0.17 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.39 1j3i n VAL 348 Cb 0.64 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1j3i n VAL 348 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3i n GLY 349 N 1.87 -1.53 3.57 2.92 0.00 -1.26 -4.52 105.19 106.24 1j3i n GLY 349 Ca -0.35 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1j3i n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3i s VAL 350 N -2.86 0.00 -0.10 1.61 -7.23 -0.52 -1.91 120.40 109.39 1j3i s VAL 350 Ca 0.00 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1j3i s VAL 350 Cb 0.00 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1j3i s VAL 350 CO 0.00 0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.82 1j3i s LEU 351 N -3.11 2.26 0.03 1.32 1.43 -0.66 -1.77 118.68 118.18 1j3i s LEU 351 Ca 0.25 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1j3i s LEU 351 Cb -0.01 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1j3i s LEU 351 CO 0.13 0.19 -0.01 -0.94 0.23 0.00 0.00 176.35 175.95 1j3i s SER 352 N 0.19 0.30 0.24 2.29 1.04 0.20 -0.78 113.70 117.17 1j3i s SER 352 Ca -0.13 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1j3i s SER 352 Cb -0.16 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 1j3i s SER 352 CO 0.07 -0.42 0.04 -0.54 0.98 0.00 0.00 173.24 173.38 1j3i s LYS 353 N -2.32 1.34 -0.13 4.02 -0.14 0.08 -0.53 119.74 122.06 1j3i s LYS 353 Ca -0.08 -1.70 -0.00 0.00 -1.36 0.00 0.00 55.97 52.83 1j3i s LYS 353 Cb -0.04 -0.41 0.03 0.00 -1.68 0.00 0.00 37.83 35.73 1j3i s LYS 353 CO -0.04 -0.19 -0.08 0.12 -0.76 0.00 0.00 175.35 174.40 1j3i s PHE 354 N -3.60 1.63 0.00 3.18 5.36 -1.26 -1.44 117.98 121.84 1j3i s PHE 354 Ca 0.32 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1j3i s PHE 354 Cb 0.07 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 1j3i s PHE 354 CO 0.10 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.71 1j3i n GLY 355 N 4.90 -1.84 3.15 13.12 0.00 -0.24 -5.03 105.19 119.26 1j3i n GLY 355 Ca -0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1j3i n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3i s TYR 356 N 0.00 0.36 -0.02 1.61 2.02 -0.76 -4.98 117.35 115.58 1j3i s TYR 356 Ca 0.00 -0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 55.84 1j3i s TYR 356 Cb 0.00 -0.24 0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1j3i s TYR 356 CO 0.00 -0.47 0.03 -1.50 -1.57 0.00 0.00 175.55 172.04 1j3i s ILE 357 N -3.90 -0.02 0.06 2.71 2.07 -1.26 -0.33 121.20 120.54 1j3i s ILE 357 Ca 0.07 0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 1j3i s ILE 357 Cb 0.06 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.56 1j3i s ILE 357 CO -0.10 0.03 -0.17 -0.04 -1.91 0.00 0.00 174.94 172.75 1j3i s MET 358 N 0.40 1.06 -0.04 3.50 -1.94 -0.12 -4.98 119.30 117.17 1j3i s MET 358 Ca -0.03 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1j3i s MET 358 Cb -0.05 -1.16 0.02 0.00 2.01 0.00 0.00 34.83 35.66 1j3i s MET 358 CO -0.01 0.28 -0.06 0.15 -0.01 0.00 0.00 175.02 175.37 1j3i s LYS 359 N -1.48 0.94 -0.08 2.03 1.02 -1.26 -0.56 119.74 120.34 1j3i s LYS 359 Ca 0.03 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 55.91 1j3i s LYS 359 Cb -0.09 -0.89 -0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1j3i s LYS 359 CO 0.02 -0.05 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.12 1j3i s PHE 360 N 0.81 2.32 -0.89 3.18 0.08 -0.23 -4.98 117.98 118.26 1j3i s PHE 360 Ca -0.12 -0.87 -0.21 0.00 0.12 0.00 0.00 56.93 55.86 1j3i s PHE 360 Cb -0.14 -1.56 0.10 0.00 -0.57 0.00 0.00 43.02 40.85 1j3i s PHE 360 CO 0.01 -0.34 1.16 0.34 -0.10 0.00 0.00 175.22 176.30 1j3i s ASP 361 N 0.25 6.50 0.43 1.36 -1.08 -1.26 -1.30 116.67 121.57 1j3i s ASP 361 Ca -0.14 -1.68 0.30 0.00 -0.52 0.00 0.00 52.55 50.51 1j3i s ASP 361 Cb -0.16 -2.44 1.54 0.00 -1.46 0.00 0.00 42.92 40.40 1j3i s ASP 361 CO 0.07 -1.25 1.91 -0.07 0.52 0.00 0.00 175.17 176.34 1j3i h LEU 362 N 11.14 0.00 -0.46 -1.34 3.38 0.26 -1.46 115.31 126.83 1j3i h LEU 362 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1j3i h LEU 362 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1j3i h LEU 362 CO 1.19 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.49 1j3i h SER 363 N 0.00 0.00 0.00 -0.43 4.64 -1.65 -3.31 113.55 112.80 1j3i h SER 363 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1j3i h SER 363 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1j3i h SER 363 CO 0.00 0.00 -1.83 0.00 -0.87 0.00 0.00 176.83 174.13 1j3i n GLN 364 N -2.77 0.78 -3.71 4.77 1.13 -0.57 -5.08 117.38 111.93 1j3i n GLN 364 Ca 0.03 -0.11 -0.01 0.00 -1.94 0.00 0.00 57.00 54.97 1j3i n GLN 364 Cb 0.41 -1.39 -0.01 0.00 0.11 0.00 0.00 30.24 29.36 1j3i n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3i s TYR 365 N -2.92 -0.07 -0.33 1.08 -0.85 -1.10 -5.05 117.35 108.10 1j3i s TYR 365 Ca -0.06 -0.15 -0.08 0.00 -0.52 0.00 0.00 57.07 56.26 1j3i s TYR 365 Cb 0.09 0.60 0.02 0.00 0.38 0.00 0.00 41.96 43.05 1j3i s TYR 365 CO 0.66 -0.58 0.13 0.12 -1.52 0.00 0.00 175.55 174.36 1j3i s PHE 366 N -2.80 3.21 -0.57 -3.49 5.36 -0.23 -4.24 117.98 115.23 1j3i s PHE 366 Ca 0.14 -1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 54.99 1j3i s PHE 366 Cb 0.01 -2.32 -0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1j3i s PHE 366 CO -0.00 -0.63 1.80 -0.35 -1.46 0.00 0.00 175.22 174.57 1j3i n PRO 367 N 4.90 1.41 -3.00 10.12 -0.04 -1.26 -3.91 135.00 143.22 1j3i n PRO 367 Ca -0.13 -1.08 -0.42 0.00 -0.04 0.00 0.00 63.50 61.83 1j3i n PRO 367 Cb 0.46 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 1j3i n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3i s LEU 368 N 0.06 4.19 0.25 1.53 2.96 -1.26 -4.64 118.68 121.78 1j3i s LEU 368 Ca 0.28 0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 54.11 1j3i s LEU 368 Cb 0.08 -2.95 -0.15 0.00 0.50 0.00 0.00 46.19 43.67 1j3i s LEU 368 CO -0.02 -0.74 0.88 0.18 -1.32 0.00 0.00 176.35 175.33 1j3i n LEU 369 N 6.39 0.89 -0.25 -0.68 4.77 -1.26 -4.76 117.00 122.10 1j3i n LEU 369 Ca 0.02 1.16 0.05 0.00 -0.03 0.00 0.00 56.01 57.21 1j3i n LEU 369 Cb 0.48 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1j3i n LEU 369 CO 0.54 -1.86 0.22 0.35 -1.33 0.00 0.00 177.39 175.31 1j3i n THR 370 N 0.24 0.00 1.89 -5.08 -2.24 -1.26 -4.56 114.28 103.27 1j3i n THR 370 Ca 0.12 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1j3i n THR 370 Cb 0.29 1.13 0.45 0.00 -2.10 0.00 0.00 70.33 70.10 1j3i n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3i n THR 371 N -0.21 0.03 -3.54 4.28 -2.24 -1.26 -0.90 114.28 110.43 1j3i n THR 371 Ca 0.04 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1j3i n THR 371 Cb 0.23 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1j3i n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3i s LYS 372 N -1.97 0.89 0.12 -0.78 -2.85 -1.26 -4.68 119.74 109.20 1j3i s LYS 372 Ca 0.24 -0.36 -0.25 0.00 -1.00 0.00 0.00 55.97 54.60 1j3i s LYS 372 Cb 0.12 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1j3i s LYS 372 CO 0.19 -0.39 0.77 0.21 0.10 0.00 0.00 175.35 176.23 1j3i s LYS 373 N -3.15 4.53 -0.01 1.78 2.20 -1.23 -4.55 119.74 119.31 1j3i s LYS 373 Ca 0.06 1.12 0.04 0.00 -0.36 0.00 0.00 55.97 56.83 1j3i s LYS 373 Cb -0.01 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1j3i s LYS 373 CO -0.07 0.46 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.74 1j3i s LEU 374 N -0.72 2.04 0.09 5.43 1.43 -1.26 -4.81 118.68 120.87 1j3i s LEU 374 Ca 0.37 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1j3i s LEU 374 Cb -0.22 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1j3i s LEU 374 CO 0.25 0.14 -0.05 -0.36 0.23 0.00 0.00 176.35 176.56 1j3i s PHE 375 N -0.35 2.88 0.00 0.29 0.08 -1.26 -5.07 117.98 114.55 1j3i s PHE 375 Ca 0.04 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1j3i s PHE 375 Cb -0.05 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1j3i s PHE 375 CO -0.00 0.45 0.27 1.28 -0.10 0.00 0.00 175.22 177.12 1j3i n LEU 376 N 0.70 0.54 -0.13 -0.37 4.77 -1.26 -4.72 117.00 116.52 1j3i n LEU 376 Ca -0.12 -0.72 -0.05 0.00 -0.03 0.00 0.00 56.01 55.09 1j3i n LEU 376 Cb 0.52 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1j3i n LEU 376 CO 0.36 0.13 0.94 -0.09 -1.33 0.00 0.00 177.39 177.41 1j3i h ARG 377 N 0.00 0.29 -0.06 3.23 2.43 -2.00 -1.81 114.38 116.46 1j3i h ARG 377 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1j3i h ARG 377 Cb 0.03 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1j3i h ARG 377 CO 0.00 0.19 0.02 0.78 -1.51 0.00 0.00 179.97 179.45 1j3i h GLY 378 N 0.30 0.07 2.00 2.80 0.00 -1.95 -1.47 103.07 104.82 1j3i h GLY 378 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1j3i h GLY 378 CO -0.21 0.01 -0.32 0.16 0.00 0.00 0.00 176.54 176.17 1j3i h ILE 379 N 0.05 1.16 -0.16 2.60 -0.00 -1.79 -1.40 117.51 117.97 1j3i h ILE 379 Ca 0.03 -1.12 -0.10 0.00 -0.00 0.00 0.00 64.86 63.67 1j3i h ILE 379 Cb 0.02 1.61 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1j3i h ILE 379 CO -0.03 0.31 -0.30 0.40 -0.00 0.00 0.00 178.15 178.52 1j3i h ILE 380 N 0.00 1.35 -0.90 0.16 2.04 -1.10 -2.17 117.51 116.90 1j3i h ILE 380 Ca -0.00 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.32 1j3i h ILE 380 Cb 0.59 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1j3i h ILE 380 CO 0.04 0.47 0.60 -0.33 0.00 0.00 0.00 178.15 178.93 1j3i h GLU 381 N 0.12 1.17 -0.77 2.37 4.39 -1.05 0.82 114.58 121.63 1j3i h GLU 381 Ca 0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1j3i h GLU 381 Cb 0.90 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 1j3i h GLU 381 CO 0.07 0.77 0.40 1.49 -1.16 0.00 0.00 179.01 180.58 1j3i h GLU 382 N 1.20 1.09 -0.61 2.33 4.81 -1.13 0.32 114.58 122.59 1j3i h GLU 382 Ca 0.34 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1j3i h GLU 382 Cb -0.10 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 1j3i h GLU 382 CO -0.08 0.82 0.19 1.25 -0.73 0.00 0.00 179.01 180.46 1j3i h LEU 383 N 1.07 0.89 -0.74 1.64 5.85 -0.55 0.94 115.31 124.41 1j3i h LEU 383 Ca 0.27 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1j3i h LEU 383 Cb 0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1j3i h LEU 383 CO -0.04 0.86 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.66 1j3i h LEU 384 N 0.87 0.75 -0.66 2.25 3.38 -0.45 -0.86 115.31 120.61 1j3i h LEU 384 Ca 0.20 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1j3i h LEU 384 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1j3i h LEU 384 CO -0.01 0.94 0.18 -0.25 0.09 0.00 0.00 178.44 179.40 1j3i h TRP 385 N 0.66 1.08 -0.07 1.13 7.01 -0.45 -1.60 115.95 123.71 1j3i h TRP 385 Ca 0.10 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 1j3i h TRP 385 Cb 0.69 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1j3i h TRP 385 CO 0.03 0.88 0.04 0.74 -2.79 0.00 0.00 178.44 177.34 1j3i h PHE 386 N 0.96 0.11 -0.13 2.65 0.04 -0.43 -2.57 116.94 117.57 1j3i h PHE 386 Ca 0.21 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1j3i h PHE 386 Cb 0.33 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1j3i h PHE 386 CO 0.02 0.19 0.06 0.82 -0.60 0.00 0.00 178.31 178.80 1j3i h ILE 387 N -0.00 1.05 0.00 -0.55 2.04 -0.89 0.58 117.51 119.74 1j3i h ILE 387 Ca 0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1j3i h ILE 387 Cb 0.12 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1j3i h ILE 387 CO -0.00 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.75 1j3i n ARG 388 N -4.49 0.12 -0.97 2.37 1.74 -0.63 -4.90 116.66 109.91 1j3i n ARG 388 Ca -0.01 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1j3i n ARG 388 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1j3i n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3i n GLY 389 N 1.01 0.42 3.82 -0.13 0.00 0.20 -5.04 105.19 105.46 1j3i n GLY 389 Ca 0.08 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1j3i n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3i s GLU 390 N -1.62 3.62 0.00 1.61 2.02 -0.99 -3.81 118.70 119.54 1j3i s GLU 390 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.13 1j3i s GLU 390 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1j3i s GLU 390 CO 0.00 -0.55 0.42 0.25 0.02 0.00 0.00 175.26 175.40 1j3i n THR 391 N -1.68 0.18 -2.87 3.63 -2.24 -1.26 -4.23 114.28 105.80 1j3i n THR 391 Ca 0.08 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1j3i n THR 391 Cb 0.53 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.96 1j3i n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3i s ASN 392 N -0.18 6.32 0.51 3.42 3.84 -1.26 -2.21 114.94 125.38 1j3i s ASN 392 Ca 0.00 -0.43 0.20 0.00 0.21 0.00 0.00 52.86 52.84 1j3i s ASN 392 Cb 0.00 -2.42 1.33 0.00 -0.55 0.00 0.00 41.25 39.61 1j3i s ASN 392 CO 0.00 -1.20 2.11 1.23 -2.79 0.00 0.00 177.10 176.46 1j3i h GLY 393 N 10.84 0.00 1.60 1.21 0.00 -1.09 -2.62 103.07 113.02 1j3i h GLY 393 Ca -0.26 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1j3i h GLY 393 CO 1.08 0.00 0.24 3.43 0.00 0.00 0.00 176.54 181.29 1j3i h ASN 394 N 0.00 0.38 -0.79 0.19 -0.26 -1.92 -1.85 115.58 111.33 1j3i h ASN 394 Ca -0.00 -0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.79 1j3i h ASN 394 Cb 0.15 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 1j3i h ASN 394 CO 0.01 0.27 0.47 0.74 -1.06 0.00 0.00 177.43 177.86 1j3i h THR 395 N 0.44 1.01 -0.05 2.81 2.02 -1.86 -0.39 112.91 116.89 1j3i h THR 395 Ca 0.14 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.85 1j3i h THR 395 Cb 0.02 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1j3i h THR 395 CO -0.03 0.16 -0.66 -0.07 0.37 0.00 0.00 175.52 175.28 1j3i h LEU 396 N 0.86 0.67 -1.11 2.58 3.38 -1.57 -3.25 115.31 116.87 1j3i h LEU 396 Ca 0.35 -0.71 0.08 0.00 0.09 0.00 0.00 57.88 57.70 1j3i h LEU 396 Cb 0.19 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1j3i h LEU 396 CO -0.18 1.28 0.61 -0.07 0.09 0.00 0.00 178.44 180.16 1j3i h LEU 397 N 0.12 0.91 -0.56 1.67 3.38 -0.93 -0.83 115.31 119.07 1j3i h LEU 397 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1j3i h LEU 397 Cb 1.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1j3i h LEU 397 CO 0.13 0.55 0.00 0.59 0.09 0.00 0.00 178.44 179.81 1j3i n ASN 398 N -4.53 0.43 -0.90 -0.43 3.02 -0.19 -1.08 115.26 111.59 1j3i n ASN 398 Ca 0.16 0.62 0.07 0.00 -0.03 0.00 0.00 54.58 55.40 1j3i n ASN 398 Cb 0.26 -0.71 0.22 0.00 -0.61 0.00 0.00 39.78 38.94 1j3i n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3i n LYS 399 N -2.00 3.03 -3.63 3.52 5.02 -0.43 -4.96 118.16 118.71 1j3i n LYS 399 Ca 0.02 -2.44 -0.24 0.00 -2.02 0.00 0.00 58.31 53.63 1j3i n LYS 399 Cb 0.17 -1.55 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1j3i n LYS 399 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3i n ASN 400 N 0.36 -5.34 -4.17 4.39 3.02 -0.24 -4.98 115.26 108.31 1j3i n ASN 400 Ca 0.17 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.77 1j3i n ASN 400 Cb 0.65 -4.83 -0.13 0.00 -0.61 0.00 0.00 39.78 34.85 1j3i n ASN 400 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j3i s VAL 401 N -3.34 3.03 -0.32 2.41 1.01 -0.55 -5.00 120.40 117.65 1j3i s VAL 401 Ca 0.50 -1.45 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1j3i s VAL 401 Cb -0.23 -2.78 0.61 0.00 0.00 0.00 0.00 36.38 33.98 1j3i s VAL 401 CO 0.75 -0.17 1.64 0.54 0.00 0.00 0.00 175.10 177.87 1j3i n ARG 402 N 4.62 2.57 -0.37 2.72 1.74 -1.26 -3.41 116.66 123.27 1j3i n ARG 402 Ca -0.12 -3.07 -0.01 0.00 -0.77 0.00 0.00 57.85 53.88 1j3i n ARG 402 Cb 0.43 -2.00 0.12 0.00 -1.02 0.00 0.00 32.46 29.99 1j3i n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3i h ILE 403 N 1.54 1.22 -0.05 0.55 2.04 -1.96 -3.00 117.51 117.85 1j3i h ILE 403 Ca 0.29 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1j3i h ILE 403 Cb 2.06 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1j3i h ILE 403 CO 0.61 0.24 0.00 0.79 0.00 0.00 0.00 178.15 179.79 1j3i n TRP 404 N -4.41 0.04 -0.06 1.37 7.02 -1.26 -4.67 117.44 115.46 1j3i n TRP 404 Ca 0.12 -0.02 -0.07 0.00 -1.02 0.00 0.00 57.50 56.51 1j3i n TRP 404 Cb 0.04 -0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.92 1j3i n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3i h GLU 405 N 4.58 -0.17 -0.08 -0.99 4.81 -1.84 -2.07 114.58 118.81 1j3i h GLU 405 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1j3i h GLU 405 Cb 0.98 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1j3i h GLU 405 CO 0.00 -0.11 -0.07 0.00 -0.73 0.00 0.00 179.01 178.10 1j3i h ALA 406 N 0.97 1.74 0.00 2.92 0.00 -1.83 -1.54 119.26 121.51 1j3i h ALA 406 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j3i h ALA 406 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j3i h ALA 406 CO -0.39 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1j3i n ASN 407 N -4.39 0.00 -0.44 0.00 3.02 -0.81 -3.55 115.26 109.09 1j3i n ASN 407 Ca -0.02 0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 1j3i n ASN 407 Cb 0.19 -0.35 0.11 0.00 -0.61 0.00 0.00 39.78 39.12 1j3i n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3i n GLY 408 N 1.02 2.97 3.83 7.41 0.00 -0.58 -4.62 105.19 115.21 1j3i n GLY 408 Ca 0.11 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1j3i n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3i s THR 409 N -1.15 4.18 0.22 2.61 -4.23 -1.20 -0.11 115.64 115.96 1j3i s THR 409 Ca 0.17 0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1j3i s THR 409 Cb 0.10 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.58 1j3i s THR 409 CO 0.10 -0.84 1.74 -0.09 -0.54 0.00 0.00 174.62 174.99 1j3i h ARG 410 N -0.28 0.42 0.03 3.99 9.65 -1.95 -0.13 114.38 126.12 1j3i h ARG 410 Ca -0.45 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1j3i h ARG 410 Cb 1.21 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1j3i h ARG 410 CO 0.58 0.28 -0.02 0.93 2.80 0.00 0.00 179.97 184.55 1j3i h GLU 411 N 0.43 -0.04 -0.65 0.20 3.07 -1.96 -0.72 114.58 114.92 1j3i h GLU 411 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1j3i h GLU 411 Cb 0.44 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1j3i h GLU 411 CO -0.33 0.12 0.42 0.35 -1.40 0.00 0.00 179.01 178.17 1j3i h PHE 412 N -0.20 0.83 -0.35 4.33 3.04 -1.69 0.11 116.94 123.01 1j3i h PHE 412 Ca -0.00 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1j3i h PHE 412 Cb 0.18 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1j3i h PHE 412 CO -0.02 0.54 0.05 -0.07 -2.02 0.00 0.00 178.31 176.79 1j3i h LEU 413 N 0.88 0.56 -0.57 0.59 3.38 -0.98 -2.00 115.31 117.16 1j3i h LEU 413 Ca 0.24 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1j3i h LEU 413 Cb -0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1j3i h LEU 413 CO -0.05 0.68 0.35 0.44 0.09 0.00 0.00 178.44 179.95 1j3i h ASP 414 N 0.41 0.59 0.05 -0.43 3.32 -0.87 0.20 116.42 119.69 1j3i h ASP 414 Ca 0.11 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1j3i h ASP 414 Cb 0.36 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1j3i h ASP 414 CO 0.01 0.42 -0.03 -1.13 -1.72 0.00 0.00 179.24 176.79 1j3i h ASN 415 N 0.71 0.00 -0.10 6.45 -1.24 -0.49 0.23 115.58 121.13 1j3i h ASN 415 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1j3i h ASN 415 Cb -0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1j3i h ASN 415 CO -0.08 0.03 0.00 0.54 -1.29 0.00 0.00 177.43 176.62 1j3i n ARG 416 N -4.04 1.63 -2.23 6.67 5.12 -0.18 -4.91 116.66 118.73 1j3i n ARG 416 Ca -0.03 -0.93 -0.12 0.00 -1.93 0.00 0.00 57.85 54.84 1j3i n ARG 416 Cb 0.11 -1.42 -0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1j3i n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3i n LYS 417 N 0.15 -0.97 -2.57 5.56 4.01 0.82 -4.92 118.16 120.25 1j3i n LYS 417 Ca 0.17 0.56 -0.36 0.00 -0.51 0.00 0.00 58.31 58.17 1j3i n LYS 417 Cb 0.31 -4.69 0.01 0.00 -0.51 0.00 0.00 35.03 30.14 1j3i n LYS 417 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j3i n LEU 418 N -1.67 6.38 0.12 -0.35 4.77 0.51 -4.80 117.00 121.96 1j3i n LEU 418 Ca -0.13 -5.35 0.12 0.00 -0.03 0.00 0.00 56.01 50.62 1j3i n LEU 418 Cb 0.60 -0.92 0.62 0.00 -2.33 0.00 0.00 43.42 41.40 1j3i n LEU 418 CO 0.16 2.10 1.12 -0.26 -1.33 0.00 0.00 177.39 179.18 1j3i h PHE 419 N 3.50 0.09 -0.81 -1.77 0.04 -1.85 -2.58 116.94 113.54 1j3i h PHE 419 Ca 0.41 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.88 1j3i h PHE 419 Cb 0.37 -0.03 -0.18 0.00 2.20 0.00 0.00 35.95 38.32 1j3i h PHE 419 CO 1.13 0.05 0.38 0.72 -0.60 0.00 0.00 178.31 179.98 1j3i n HIS 420 N -4.48 2.64 -4.44 -0.55 8.25 -1.26 -4.92 115.22 110.46 1j3i n HIS 420 Ca 0.03 -1.39 -0.34 0.00 -0.26 0.00 0.00 57.72 55.76 1j3i n HIS 420 Cb 0.28 -0.76 -0.11 0.00 1.12 0.00 0.00 29.99 30.51 1j3i n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3i s ARG 421 N -3.09 3.25 0.48 -0.41 6.06 -0.97 -5.09 118.95 119.17 1j3i s ARG 421 Ca 0.56 -0.49 -0.22 0.00 -2.50 0.00 0.00 55.73 53.08 1j3i s ARG 421 Cb 0.45 -2.80 -0.07 0.00 0.06 0.00 0.00 34.95 32.59 1j3i s ARG 421 CO 0.13 0.48 1.12 -2.00 -2.50 0.00 0.00 175.30 172.53 1j3i s GLU 422 N -0.30 3.70 0.29 5.12 2.12 -1.26 -4.94 118.70 123.42 1j3i s GLU 422 Ca 0.05 1.62 -0.30 0.00 0.36 0.00 0.00 54.97 56.70 1j3i s GLU 422 Cb -0.12 -2.25 -0.13 0.00 0.26 0.00 0.00 34.13 31.89 1j3i s GLU 422 CO 0.02 -0.57 1.31 0.28 -0.54 0.00 0.00 175.26 175.76 1j3i n VAL 423 N -0.76 1.51 -0.92 3.70 0.31 -1.26 -1.04 118.33 119.87 1j3i n VAL 423 Ca 0.09 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1j3i n VAL 423 Cb 0.50 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1j3i n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3i n ASN 424 N 1.47 -3.16 -4.37 4.52 5.03 0.85 -4.93 115.26 114.66 1j3i n ASN 424 Ca 0.09 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.08 1j3i n ASN 424 Cb 0.33 -1.80 -0.03 0.00 -1.02 0.00 0.00 39.78 37.26 1j3i n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3i s ASP 425 N -2.15 6.47 0.09 6.41 -1.08 -0.20 -0.39 116.67 125.83 1j3i s ASP 425 Ca 0.00 -2.02 0.14 0.00 -0.52 0.00 0.00 52.55 50.15 1j3i s ASP 425 Cb 0.00 -2.28 0.62 0.00 -1.46 0.00 0.00 42.92 39.79 1j3i s ASP 425 CO 0.00 -0.90 1.43 0.18 0.52 0.00 0.00 175.17 176.40 1j3i n LEU 426 N 5.48 0.21 0.00 -1.34 4.77 -0.94 -4.74 117.00 120.44 1j3i n LEU 426 Ca 0.05 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1j3i n LEU 426 Cb 0.45 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1j3i n LEU 426 CO 0.48 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1j3i n GLY 427 N -0.49 -2.35 2.68 -0.72 0.00 -1.26 -0.67 105.19 102.39 1j3i n GLY 427 Ca 0.02 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1j3i n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3i n PRO 428 N -0.16 2.61 -0.24 1.61 -0.04 -1.26 -4.80 135.00 132.72 1j3i n PRO 428 Ca 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1j3i n PRO 428 Cb 0.00 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1j3i n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3i n ILE 429 N 4.75 0.00 -0.03 0.52 -5.35 -1.26 -4.54 119.36 113.45 1j3i n ILE 429 Ca 0.57 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 63.04 1j3i n ILE 429 Cb 0.30 -1.72 -0.01 0.00 -1.74 0.00 0.00 39.64 36.48 1j3i n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3i n TYR 430 N -1.43 -0.03 -0.24 4.28 4.01 -1.26 -0.75 117.16 121.74 1j3i n TYR 430 Ca 0.00 0.08 0.04 0.00 -0.16 0.00 0.00 57.90 57.86 1j3i n TYR 430 Cb 0.00 -0.23 0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1j3i n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3i h GLY 431 N 0.00 1.00 1.06 2.72 0.00 -1.74 0.13 103.07 106.24 1j3i h GLY 431 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1j3i h GLY 431 CO -0.06 -0.16 0.10 -2.75 0.00 0.00 0.00 176.54 173.68 1j3i h PHE 432 N 0.31 1.15 -0.12 5.60 3.57 -1.04 -2.42 116.94 123.98 1j3i h PHE 432 Ca 0.39 -0.16 -0.17 0.00 3.53 0.00 0.00 57.97 61.56 1j3i h PHE 432 Cb 0.64 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1j3i h PHE 432 CO -0.23 0.97 -0.63 1.96 -2.23 0.00 0.00 178.31 178.15 1j3i h GLN 433 N 0.99 0.44 -0.17 1.11 1.08 -0.32 0.48 115.11 118.73 1j3i h GLN 433 Ca 0.20 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1j3i h GLN 433 Cb 0.45 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1j3i h GLN 433 CO 0.01 0.93 -0.35 -1.49 -0.95 0.00 0.00 178.83 176.98 1j3i h TRP 434 N 0.33 0.40 0.00 2.96 4.06 -0.70 -2.92 115.95 120.07 1j3i h TRP 434 Ca -0.01 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1j3i h TRP 434 Cb 1.17 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1j3i h TRP 434 CO 0.04 0.66 -1.17 0.54 -3.56 0.00 0.00 178.44 174.95 1j3i n ARG 435 N -4.07 1.42 -2.00 0.49 5.12 -0.92 -0.93 116.66 115.77 1j3i n ARG 435 Ca -0.01 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1j3i n ARG 435 Cb 0.45 -1.24 0.03 0.00 -1.16 0.00 0.00 32.46 30.54 1j3i n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3i n HIS 436 N -1.67 0.16 -1.61 -1.55 8.25 0.17 -3.59 115.22 115.37 1j3i n HIS 436 Ca -0.00 -1.18 -0.52 0.00 -0.26 0.00 0.00 57.72 55.76 1j3i n HIS 436 Cb 0.29 0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 1j3i n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3i n PHE 437 N -0.18 1.63 0.00 4.41 -0.00 -0.83 -0.87 117.46 121.62 1j3i n PHE 437 Ca -0.02 0.59 0.00 0.00 -0.00 0.00 0.00 57.45 58.03 1j3i n PHE 437 Cb 0.94 -2.36 0.00 0.00 -0.00 0.00 0.00 39.48 38.05 1j3i n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3i n GLY 438 N 2.76 2.69 3.77 7.13 0.00 -1.26 0.48 105.19 120.76 1j3i n GLY 438 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1j3i n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3i s ALA 439 N -2.31 2.49 -0.16 4.61 0.00 -0.05 -4.83 121.76 121.50 1j3i s ALA 439 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1j3i s ALA 439 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1j3i s ALA 439 CO 0.00 -1.23 1.19 -2.00 0.00 0.00 0.00 175.76 173.72 1j3i s GLU 440 N -3.89 4.27 -0.01 0.00 2.56 -1.26 -4.99 118.70 115.37 1j3i s GLU 440 Ca 0.69 1.58 -0.26 0.00 0.00 0.00 0.00 54.97 56.98 1j3i s GLU 440 Cb -0.22 -3.69 -0.04 0.00 2.00 0.00 0.00 34.13 32.17 1j3i s GLU 440 CO 0.39 -0.63 0.81 -0.47 -0.56 0.00 0.00 175.26 174.79 1j3i s TYR 441 N 3.17 3.66 0.00 5.30 5.04 -1.26 -4.97 117.35 128.28 1j3i s TYR 441 Ca 0.52 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1j3i s TYR 441 Cb -0.20 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.20 1j3i s TYR 441 CO 0.14 0.12 0.00 0.25 -1.34 0.00 0.00 175.55 174.72 1j3i n THR 442 N 3.49 0.00 -3.96 4.34 -2.24 -1.26 -5.09 114.28 109.56 1j3i n THR 442 Ca 0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1j3i n THR 442 Cb 0.51 -0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1j3i n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3i s ASN 443 N 0.04 0.25 0.00 3.42 2.20 -1.26 -5.04 114.94 114.54 1j3i s ASN 443 Ca 0.00 -0.82 0.00 0.00 -0.94 0.00 0.00 52.86 51.10 1j3i s ASN 443 Cb 0.00 0.30 0.00 0.00 -2.00 0.00 0.00 41.25 39.55 1j3i s ASN 443 CO 0.00 -0.70 0.80 1.15 -2.94 0.00 0.00 177.10 175.40 1j3i n MET 444 N -0.02 0.00 0.00 3.55 0.00 -1.26 -1.83 117.12 117.55 1j3i n MET 444 Ca -0.13 0.32 0.07 0.00 0.00 0.00 0.00 57.70 57.95 1j3i n MET 444 Cb 0.62 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 32.21 1j3i n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3i n TYR 445 N -1.30 0.00 -0.84 3.17 4.01 -1.26 -4.68 117.16 116.26 1j3i n TYR 445 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1j3i n TYR 445 Cb 0.07 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.28 1j3i n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3i s ASP 446 N -2.27 2.53 -0.37 7.72 -1.08 -0.76 -4.99 116.67 117.46 1j3i s ASP 446 Ca 0.08 1.73 -0.14 0.00 -0.52 0.00 0.00 52.55 53.69 1j3i s ASP 446 Cb 0.12 -2.35 -0.00 0.00 -1.46 0.00 0.00 42.92 39.23 1j3i s ASP 446 CO 0.56 -3.27 0.29 0.21 0.52 0.00 0.00 175.17 173.48 1j3i s ASN 447 N -2.90 6.10 -0.03 -0.34 3.84 -1.26 -4.93 114.94 115.42 1j3i s ASN 447 Ca 0.66 -0.56 0.18 0.00 0.21 0.00 0.00 52.86 53.34 1j3i s ASN 447 Cb -0.22 -2.16 0.54 0.00 -0.55 0.00 0.00 41.25 38.87 1j3i s ASN 447 CO 0.60 -0.34 1.46 -1.22 -2.79 0.00 0.00 177.10 174.80 1j3i n TYR 448 N 5.20 0.91 -1.65 0.43 4.01 -1.26 -5.00 117.16 119.80 1j3i n TYR 448 Ca -0.11 -0.54 -0.58 0.00 -0.16 0.00 0.00 57.90 56.51 1j3i n TYR 448 Cb 0.49 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 1j3i n TYR 448 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1j3i n GLU 449 N 1.06 0.92 -1.46 -0.72 1.02 -1.26 -0.59 120.64 119.62 1j3i n GLU 449 Ca 0.20 0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1j3i n GLU 449 Cb 0.62 -2.03 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 1j3i n GLU 449 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j3i n ASN 450 N 5.99 -4.36 -4.68 1.62 3.02 -1.26 -5.02 115.26 110.57 1j3i n ASN 450 Ca 0.31 0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.78 1j3i n ASN 450 Cb 0.11 -3.00 -0.09 0.00 -0.61 0.00 0.00 39.78 36.18 1j3i n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3i s LYS 451 N -3.22 2.89 0.77 3.52 1.02 0.25 -5.01 119.74 119.97 1j3i s LYS 451 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1j3i s LYS 451 Cb 0.00 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1j3i s LYS 451 CO 0.00 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 1j3i n GLY 452 N 1.79 -1.98 3.60 -3.33 0.00 -1.26 -4.36 105.19 99.65 1j3i n GLY 452 Ca -0.17 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1j3i n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3i s VAL 453 N -0.50 5.25 -1.13 1.61 1.01 0.18 -4.75 120.40 122.07 1j3i s VAL 453 Ca 0.00 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 1j3i s VAL 453 Cb 0.00 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.87 1j3i s VAL 453 CO 0.00 0.22 1.48 -0.62 0.00 0.00 0.00 175.10 176.18 1j3i s ASP 454 N 1.65 6.76 0.20 3.32 -1.08 -1.24 -1.97 116.67 124.30 1j3i s ASP 454 Ca 0.11 -2.21 -0.11 0.00 -0.52 0.00 0.00 52.55 49.82 1j3i s ASP 454 Cb -0.16 -2.51 0.13 0.00 -1.46 0.00 0.00 42.92 38.92 1j3i s ASP 454 CO 0.10 -1.16 1.82 1.56 0.52 0.00 0.00 175.17 178.02 1j3i h GLN 455 N 8.34 0.97 -0.14 4.34 4.20 -1.29 -2.14 115.11 129.39 1j3i h GLN 455 Ca 0.30 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.94 1j3i h GLN 455 Cb 0.94 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1j3i h GLN 455 CO 1.34 0.71 -0.10 1.25 -0.67 0.00 0.00 178.83 181.36 1j3i h LEU 456 N 0.96 -0.32 -0.49 1.46 5.85 -1.65 0.14 115.31 121.25 1j3i h LEU 456 Ca 0.25 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1j3i h LEU 456 Cb 0.01 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1j3i h LEU 456 CO -0.04 -0.14 0.29 0.50 -0.34 0.00 0.00 178.44 178.71 1j3i h LYS 457 N -0.11 0.55 -0.62 1.25 3.64 -1.80 -2.10 116.57 117.38 1j3i h LYS 457 Ca 0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1j3i h LYS 457 Cb 0.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1j3i h LYS 457 CO -0.21 0.36 0.36 -0.91 -2.27 0.00 0.00 179.45 176.79 1j3i h ASN 458 N 0.57 0.76 0.03 4.20 2.35 -0.74 -1.51 115.58 121.24 1j3i h ASN 458 Ca 0.20 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1j3i h ASN 458 Cb 0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1j3i h ASN 458 CO -0.10 0.62 -0.34 0.16 -1.65 0.00 0.00 177.43 176.12 1j3i h ILE 459 N 0.85 1.29 -0.57 2.81 3.07 -0.77 0.68 117.51 124.86 1j3i h ILE 459 Ca 0.22 -1.42 -0.09 0.00 1.55 0.00 0.00 64.86 65.12 1j3i h ILE 459 Cb 0.01 1.50 -0.02 0.00 -0.27 0.00 0.00 36.82 38.04 1j3i h ILE 459 CO -0.04 0.44 0.02 0.40 -1.05 0.00 0.00 178.15 177.92 1j3i h ILE 460 N 0.37 1.26 -0.18 0.16 2.04 -1.10 0.12 117.51 120.19 1j3i h ILE 460 Ca 0.04 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 1j3i h ILE 460 Cb 0.78 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1j3i h ILE 460 CO 0.06 0.40 -0.41 0.78 0.00 0.00 0.00 178.15 178.98 1j3i h ASN 461 N 0.89 0.44 -0.51 1.72 2.35 -0.89 -1.93 115.58 117.65 1j3i h ASN 461 Ca 0.16 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1j3i h ASN 461 Cb 0.53 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1j3i h ASN 461 CO 0.03 0.81 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.54 1j3i h LEU 462 N 0.35 0.89 -1.16 1.61 3.38 -0.54 0.05 115.31 119.88 1j3i h LEU 462 Ca 0.03 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1j3i h LEU 462 Cb 0.88 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1j3i h LEU 462 CO 0.07 0.99 -0.03 0.40 0.09 0.00 0.00 178.44 179.96 1j3i h ILE 463 N 0.77 1.21 0.20 1.22 2.04 -0.78 0.34 117.51 122.52 1j3i h ILE 463 Ca 0.14 -0.86 -0.26 0.00 1.00 0.00 0.00 64.86 64.87 1j3i h ILE 463 Cb 0.53 0.99 0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1j3i h ILE 463 CO 0.03 0.29 -1.16 0.11 0.00 0.00 0.00 178.15 177.42 1j3i h LYS 464 N 0.52 0.44 0.00 2.37 1.57 -1.08 -3.35 116.57 117.03 1j3i h LYS 464 Ca 0.11 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1j3i h LYS 464 Cb 0.38 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1j3i h LYS 464 CO 0.02 1.35 -1.54 0.09 -0.57 0.00 0.00 179.45 178.80 1j3i n ASN 465 N -3.92 0.63 -2.83 0.86 3.02 -0.02 -4.70 115.26 108.30 1j3i n ASN 465 Ca -0.15 -0.35 -0.11 0.00 -0.03 0.00 0.00 54.58 53.93 1j3i n ASN 465 Cb 0.97 1.57 0.03 0.00 -0.61 0.00 0.00 39.78 41.74 1j3i n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3i n ASP 466 N -1.92 0.58 0.08 6.41 2.03 0.12 -5.00 116.55 118.85 1j3i n ASP 466 Ca -0.01 -2.84 0.20 0.00 0.52 0.00 0.00 54.79 52.66 1j3i n ASP 466 Cb 0.44 -0.19 0.67 0.00 -0.72 0.00 0.00 41.12 41.32 1j3i n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3i h PRO 467 N 2.88 0.00 -0.09 -0.67 0.13 -1.63 0.56 132.00 133.17 1j3i h PRO 467 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1j3i h PRO 467 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j3i h PRO 467 CO 0.40 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.42 1j3i n THR 468 N -3.44 0.11 -1.75 1.56 -2.24 -1.26 -4.12 114.28 103.14 1j3i n THR 468 Ca 0.09 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1j3i n THR 468 Cb 0.77 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1j3i n THR 468 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1j3i n SER 469 N 0.11 3.09 -1.23 3.42 2.88 0.19 -4.90 113.62 117.18 1j3i n SER 469 Ca 0.17 1.08 0.08 0.00 -1.33 0.00 0.00 58.87 58.87 1j3i n SER 469 Cb 0.31 -1.59 0.30 0.00 -0.75 0.00 0.00 64.21 62.47 1j3i n SER 469 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j3i n ARG 470 N -0.43 3.54 -0.19 -1.46 1.74 -1.26 -4.35 116.66 114.25 1j3i n ARG 470 Ca 0.07 -2.81 0.09 0.00 -0.77 0.00 0.00 57.85 54.43 1j3i n ARG 470 Cb 0.42 -1.87 0.16 0.00 -1.02 0.00 0.00 32.46 30.16 1j3i n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3i n ARG 471 N 0.24 1.54 -2.80 5.56 1.74 -1.26 -4.92 116.66 116.76 1j3i n ARG 471 Ca 0.22 -2.70 -0.43 0.00 -0.77 0.00 0.00 57.85 54.17 1j3i n ARG 471 Cb 0.89 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 1j3i n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j3i s ILE 472 N -2.92 4.46 0.02 0.55 1.01 -1.26 -4.94 121.20 118.13 1j3i s ILE 472 Ca 0.34 -1.34 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1j3i s ILE 472 Cb 0.30 -4.88 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1j3i s ILE 472 CO 0.03 -1.66 -0.07 -0.76 0.00 0.00 0.00 174.94 172.48 1j3i s LEU 473 N 3.43 2.13 -0.22 2.97 1.02 -1.26 -1.09 118.68 125.66 1j3i s LEU 473 Ca 0.37 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.21 1j3i s LEU 473 Cb -0.03 -0.26 0.04 0.00 0.02 0.00 0.00 46.19 45.96 1j3i s LEU 473 CO -0.09 -0.05 -0.16 -0.22 0.02 0.00 0.00 176.35 175.85 1j3i s LEU 474 N -0.86 2.73 -0.08 1.79 2.96 -0.40 -4.90 118.68 119.92 1j3i s LEU 474 Ca -0.03 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1j3i s LEU 474 Cb -0.06 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1j3i s LEU 474 CO 0.00 -0.08 -0.16 0.00 -1.32 0.00 0.00 176.35 174.79 1j3i n ALA 476 N 2.85 3.14 -2.56 0.00 0.00 -0.56 -4.69 120.51 118.68 1j3i n ALA 476 Ca -0.18 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1j3i n ALA 476 Cb 0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 1j3i n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3i s TRP 477 N -2.01 2.65 -0.69 0.00 -0.11 -1.24 -4.82 118.94 112.72 1j3i s TRP 477 Ca 0.03 -1.23 -0.20 0.00 1.22 0.00 0.00 56.10 55.92 1j3i s TRP 477 Cb 0.07 -4.71 0.11 0.00 -1.50 0.00 0.00 33.47 27.43 1j3i s TRP 477 CO 0.40 -1.86 0.87 1.21 -4.62 0.00 0.00 176.95 172.95 1j3i s ASN 478 N 4.64 6.30 0.29 5.86 3.84 -1.26 -4.93 114.94 129.68 1j3i s ASN 478 Ca 0.51 -1.49 0.04 0.00 0.21 0.00 0.00 52.86 52.12 1j3i s ASN 478 Cb 0.02 -2.35 0.73 0.00 -0.55 0.00 0.00 41.25 39.10 1j3i s ASN 478 CO 0.00 -1.18 1.69 0.58 -2.79 0.00 0.00 177.10 175.40 1j3i h VAL 479 N 5.85 0.46 -0.01 -5.21 2.07 -2.01 -0.23 116.25 117.17 1j3i h VAL 479 Ca -0.18 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1j3i h VAL 479 Cb 1.07 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1j3i h VAL 479 CO 1.11 0.07 -0.22 0.50 0.02 0.00 0.00 177.57 179.04 1j3i h LYS 480 N 0.38 0.02 -0.02 1.57 3.64 -2.01 -3.19 116.57 116.95 1j3i h LYS 480 Ca 0.56 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1j3i h LYS 480 Cb 1.08 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1j3i h LYS 480 CO -0.54 0.24 -0.26 -0.25 -2.27 0.00 0.00 179.45 176.37 1j3i n ASP 481 N -4.27 2.43 -0.21 4.20 8.00 -0.17 -4.71 116.55 121.83 1j3i n ASP 481 Ca -0.02 -1.71 -0.04 0.00 0.71 0.00 0.00 54.79 53.72 1j3i n ASP 481 Cb 0.29 0.27 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1j3i n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1j3i h LEU 482 N 3.38 -1.04 -2.53 0.64 3.38 -1.35 -1.05 115.31 116.74 1j3i h LEU 482 Ca 0.00 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1j3i h LEU 482 Cb 0.85 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1j3i h LEU 482 CO 0.00 -0.29 -0.02 0.44 0.09 0.00 0.00 178.44 178.66 1j3i h ASP 483 N -0.13 0.00 0.79 -0.43 3.32 -1.84 -1.39 116.42 116.74 1j3i h ASP 483 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1j3i h ASP 483 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1j3i h ASP 483 CO -0.68 0.02 -0.29 0.00 -1.72 0.00 0.00 179.24 176.56 1j3i n GLN 484 N -3.51 0.05 -2.94 3.56 6.02 -0.41 -4.88 117.38 115.25 1j3i n GLN 484 Ca -0.03 0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1j3i n GLN 484 Cb 0.11 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 1j3i n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3i s MET 485 N -3.02 4.36 0.30 -1.09 -1.94 -0.53 -4.29 119.30 113.08 1j3i s MET 485 Ca 0.12 1.06 0.05 0.00 -1.71 0.00 0.00 55.69 55.21 1j3i s MET 485 Cb 0.17 -2.72 0.73 0.00 2.01 0.00 0.00 34.83 35.03 1j3i s MET 485 CO 0.63 0.27 1.75 0.00 -0.01 0.00 0.00 175.02 177.66 1j3i h ALA 486 N 3.02 1.57 -1.96 3.03 0.00 -1.20 -3.41 119.26 120.30 1j3i h ALA 486 Ca -0.48 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1j3i h ALA 486 Cb 1.19 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 1j3i h ALA 486 CO 0.65 -0.17 0.18 -0.48 0.00 0.00 0.00 179.25 179.43 1j3i s LEU 487 N -10.36 -0.69 0.39 0.00 2.34 -1.26 -4.97 118.68 104.13 1j3i s LEU 487 Ca -0.11 1.14 -0.27 0.00 0.06 0.00 0.00 54.13 54.95 1j3i s LEU 487 Cb 0.25 2.43 -0.11 0.00 -0.56 0.00 0.00 46.19 48.21 1j3i s LEU 487 CO 0.79 -0.36 1.36 -2.65 -1.06 0.00 0.00 176.35 174.43 1j3i n PRO 488 N 2.02 2.26 -1.82 1.48 -0.02 -1.26 -4.91 135.00 132.75 1j3i n PRO 488 Ca -0.15 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1j3i n PRO 488 Cb 0.56 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1j3i n PRO 488 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j3i s PRO 489 N -2.11 3.43 -0.03 0.52 0.04 -1.26 -4.92 135.00 130.67 1j3i s PRO 489 Ca 0.57 2.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.83 1j3i s PRO 489 Cb -0.51 -2.45 -0.29 0.00 0.04 0.00 0.00 34.50 31.29 1j3i s PRO 489 CO 0.61 -0.98 0.72 0.00 0.04 0.00 0.00 177.00 177.39 1j3i s HIS 491 N -2.59 3.14 0.10 0.00 3.76 -1.26 -1.32 115.29 117.11 1j3i s HIS 491 Ca -0.13 -1.37 -0.31 0.00 -0.15 0.00 0.00 55.06 53.09 1j3i s HIS 491 Cb 0.06 -4.24 -0.13 0.00 1.11 0.00 0.00 32.58 29.38 1j3i s HIS 491 CO 0.85 -1.46 1.60 0.82 -0.85 0.00 0.00 174.74 175.70 1j3i h ILE 492 N 5.77 0.22 -3.38 0.60 1.08 -1.28 -3.42 117.51 117.10 1j3i h ILE 492 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1j3i h ILE 492 Cb 1.03 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 1j3i h ILE 492 CO 1.08 0.00 0.03 -1.48 -0.69 0.00 0.00 178.15 177.09 1j3i s LEU 493 N -10.21 0.08 -0.07 1.44 0.05 -1.23 -1.50 118.68 107.24 1j3i s LEU 493 Ca -0.17 -0.80 0.01 0.00 0.05 0.00 0.00 54.13 53.23 1j3i s LEU 493 Cb 0.06 2.17 0.02 0.00 -2.05 0.00 0.00 46.19 46.39 1j3i s LEU 493 CO 0.63 -1.23 -0.08 0.00 -0.55 0.00 0.00 176.35 175.12 1j3i s GLN 495 N 1.08 2.23 0.15 0.00 0.74 0.31 -1.28 119.66 122.88 1j3i s GLN 495 Ca -0.08 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 54.54 1j3i s GLN 495 Cb -0.14 -2.21 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 1j3i s GLN 495 CO -0.01 0.57 -0.08 -0.06 -0.55 0.00 0.00 175.29 175.17 1j3i s PHE 496 N -0.77 2.73 -0.01 1.67 0.08 -0.25 -0.71 117.98 120.71 1j3i s PHE 496 Ca 0.12 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1j3i s PHE 496 Cb -0.10 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1j3i s PHE 496 CO 0.02 0.48 -0.00 -0.47 -0.10 0.00 0.00 175.22 175.14 1j3i s TYR 497 N -1.50 0.17 -0.04 0.36 5.04 0.18 -4.66 117.35 116.90 1j3i s TYR 497 Ca 0.24 0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.91 1j3i s TYR 497 Cb -0.10 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1j3i s TYR 497 CO 0.15 -0.05 -0.12 0.08 -1.34 0.00 0.00 175.55 174.27 1j3i s VAL 498 N 0.48 1.01 -0.25 3.14 1.01 -1.26 -0.45 120.40 124.07 1j3i s VAL 498 Ca -0.04 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1j3i s VAL 498 Cb -0.07 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.48 1j3i s VAL 498 CO -0.01 0.31 0.66 0.12 0.00 0.00 0.00 175.10 176.18 1j3i s PHE 499 N 0.26 -0.78 -1.48 5.22 5.36 -0.59 -4.76 117.98 121.21 1j3i s PHE 499 Ca -0.06 1.82 -0.02 0.00 -0.96 0.00 0.00 56.93 57.72 1j3i s PHE 499 Cb -0.11 0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.90 1j3i s PHE 499 CO 0.01 -0.38 0.32 -3.47 -1.46 0.00 0.00 175.22 170.24 1j3i n ASP 500 N 3.01 -0.15 -1.20 6.13 2.03 -1.26 -0.13 116.55 124.99 1j3i n ASP 500 Ca -0.15 -1.10 -0.15 0.00 0.52 0.00 0.00 54.79 53.91 1j3i n ASP 500 Cb 0.56 -2.55 -0.06 0.00 -0.72 0.00 0.00 41.12 38.35 1j3i n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3i n GLY 501 N -2.11 1.42 3.23 0.27 0.00 -1.26 -5.00 105.19 101.74 1j3i n GLY 501 Ca -0.28 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1j3i n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3i s LYS 502 N -3.39 1.49 -0.13 1.61 1.02 0.82 -1.66 119.74 119.50 1j3i s LYS 502 Ca 0.00 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1j3i s LYS 502 Cb 0.00 -1.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1j3i s LYS 502 CO 0.00 0.40 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.55 1j3i s LEU 503 N -0.87 2.80 0.14 3.17 2.96 0.75 -1.54 118.68 126.09 1j3i s LEU 503 Ca 0.07 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1j3i s LEU 503 Cb -0.08 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1j3i s LEU 503 CO 0.01 0.17 -0.26 -0.44 -1.32 0.00 0.00 176.35 174.51 1j3i s SER 504 N 0.34 3.27 -0.01 3.68 0.01 0.40 -0.24 113.70 121.15 1j3i s SER 504 Ca -0.10 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.39 1j3i s SER 504 Cb -0.16 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1j3i s SER 504 CO 0.05 0.15 -0.01 0.00 0.41 0.00 0.00 173.24 173.85 1j3i s ILE 506 N 0.44 3.13 -0.12 0.00 1.01 0.11 0.74 121.20 126.50 1j3i s ILE 506 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1j3i s ILE 506 Cb -0.07 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1j3i s ILE 506 CO -0.01 0.54 -0.12 -0.32 0.00 0.00 0.00 174.94 175.03 1j3i s MET 507 N 0.05 2.00 -0.24 2.79 1.75 0.36 -0.53 119.30 125.48 1j3i s MET 507 Ca -0.04 -0.46 -0.16 0.00 -1.25 0.00 0.00 55.69 53.77 1j3i s MET 507 Cb -0.14 -1.83 -0.03 0.00 2.84 0.00 0.00 34.83 35.66 1j3i s MET 507 CO 0.04 -0.17 0.43 -0.47 -0.65 0.00 0.00 175.02 174.20 1j3i s TYR 508 N 1.32 3.30 -0.23 4.11 6.14 -0.71 -1.41 117.35 129.88 1j3i s TYR 508 Ca -0.00 0.56 -0.02 0.00 0.64 0.00 0.00 57.07 58.25 1j3i s TYR 508 Cb -0.14 -2.60 0.01 0.00 0.42 0.00 0.00 41.96 39.65 1j3i s TYR 508 CO -0.06 -0.16 -0.07 -1.14 0.64 0.00 0.00 175.55 174.76 1j3i s GLN 509 N 1.84 3.11 0.39 4.97 0.74 0.07 -0.93 119.66 129.85 1j3i s GLN 509 Ca 0.19 -0.79 0.21 0.00 0.05 0.00 0.00 55.36 55.01 1j3i s GLN 509 Cb -0.15 -2.94 0.65 0.00 1.10 0.00 0.00 33.01 31.66 1j3i s GLN 509 CO 0.09 -0.28 1.71 0.07 -0.55 0.00 0.00 175.29 176.33 1j3i h ARG 510 N 8.05 0.00 -3.23 1.67 0.11 -1.51 0.22 114.38 119.70 1j3i h ARG 510 Ca -0.39 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.41 1j3i h ARG 510 Cb 1.14 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.87 1j3i h ARG 510 CO 0.60 0.30 -0.64 0.45 0.10 0.00 0.00 179.97 180.78 1j3i s SER 511 N -6.29 0.36 -0.18 0.08 0.15 -1.26 -1.43 113.70 105.13 1j3i s SER 511 Ca 0.02 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 1j3i s SER 511 Cb 0.09 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.61 1j3i s SER 511 CO 0.67 -0.19 -0.04 0.00 1.20 0.00 0.00 173.24 174.88 1j3i s ASP 513 N 1.63 6.33 0.29 0.00 2.15 -1.26 -1.15 116.67 124.66 1j3i s ASP 513 Ca -0.00 -1.19 0.02 0.00 0.43 0.00 0.00 52.55 51.80 1j3i s ASP 513 Cb -0.16 -2.47 0.56 0.00 -0.30 0.00 0.00 42.92 40.55 1j3i s ASP 513 CO -0.07 -1.46 1.84 -0.07 -0.17 0.00 0.00 175.17 175.24 1j3i h LEU 514 N 11.79 0.92 -0.34 -1.34 -0.00 -1.59 -1.03 115.31 123.72 1j3i h LEU 514 Ca -0.10 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 1j3i h LEU 514 Cb 1.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1j3i h LEU 514 CO 1.23 0.49 -0.23 1.23 -0.00 0.00 0.00 178.44 181.17 1j3i h GLY 515 N 0.99 0.83 0.00 0.83 0.00 -1.90 -3.39 103.07 100.42 1j3i h GLY 515 Ca 0.49 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1j3i h GLY 515 CO -0.25 0.71 -1.53 1.04 0.00 0.00 0.00 176.54 176.51 1j3i n LEU 516 N -4.26 2.47 -0.01 3.11 4.77 -1.17 -4.84 117.00 117.07 1j3i n LEU 516 Ca -0.03 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1j3i n LEU 516 Cb 0.44 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1j3i n LEU 516 CO 0.44 0.55 0.38 1.23 -1.33 0.00 0.00 177.39 178.67 1j3i h GLY 517 N 0.47 -0.09 -0.11 -0.72 0.00 -1.47 -3.38 103.07 97.76 1j3i h GLY 517 Ca -0.22 0.03 0.22 0.00 0.00 0.00 0.00 47.33 47.36 1j3i h GLY 517 CO -0.06 -0.03 0.46 -2.08 0.00 0.00 0.00 176.54 174.83 1j3i h VAL 518 N -0.87 0.54 -0.98 4.60 2.07 -1.54 -1.11 116.25 118.96 1j3i h VAL 518 Ca -0.01 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1j3i h VAL 518 Cb 0.62 -0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1j3i h VAL 518 CO 0.01 0.09 0.63 -0.65 0.02 0.00 0.00 177.57 177.67 1j3i h PRO 519 N 0.50 1.11 -0.14 1.57 0.11 -1.79 -0.79 132.00 132.57 1j3i h PRO 519 Ca 0.57 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.45 1j3i h PRO 519 Cb 1.04 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 31.91 1j3i h PRO 519 CO -0.48 0.74 -0.55 0.74 -0.21 0.00 0.00 178.00 178.23 1j3i h PHE 520 N 1.14 0.83 -0.22 0.65 0.04 -1.52 -3.07 116.94 114.79 1j3i h PHE 520 Ca 0.42 -0.35 0.05 0.00 2.80 0.00 0.00 57.97 60.89 1j3i h PHE 520 Cb 0.16 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 1j3i h PHE 520 CO -0.01 1.14 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.86 1j3i h ASN 521 N 0.27 -0.26 -0.49 2.17 -0.26 -0.62 0.17 115.58 116.56 1j3i h ASN 521 Ca -0.03 0.07 0.08 0.00 -0.56 0.00 0.00 56.30 55.87 1j3i h ASN 521 Cb 1.19 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 38.54 1j3i h ASN 521 CO 0.12 -0.10 0.09 0.40 -1.06 0.00 0.00 177.43 176.88 1j3i h ILE 522 N -0.03 0.72 -0.12 2.81 2.04 -1.22 -2.17 117.51 119.54 1j3i h ILE 522 Ca 0.11 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1j3i h ILE 522 Cb 0.20 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1j3i h ILE 522 CO -0.25 0.04 0.07 0.00 0.00 0.00 0.00 178.15 178.02 1j3i h ALA 523 N 1.39 0.15 0.10 1.87 0.00 -1.18 -1.99 119.26 119.59 1j3i h ALA 523 Ca 0.25 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1j3i h ALA 523 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1j3i h ALA 523 CO -0.33 -0.34 -0.37 0.77 0.00 0.00 0.00 179.25 178.99 1j3i h SER 524 N 0.12 -1.08 1.16 0.00 0.02 -0.21 -0.45 113.55 113.11 1j3i h SER 524 Ca 0.04 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1j3i h SER 524 Cb 0.03 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1j3i h SER 524 CO -0.01 -0.44 -0.04 1.88 -1.14 0.00 0.00 176.83 177.08 1j3i h TYR 525 N -0.58 0.00 -0.06 3.45 -1.99 -1.45 0.48 116.97 116.81 1j3i h TYR 525 Ca 0.03 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.60 1j3i h TYR 525 Cb 0.62 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.36 1j3i h TYR 525 CO -0.33 0.04 -0.61 0.77 -0.00 0.00 0.00 178.16 178.02 1j3i h SER 526 N 0.00 0.65 -0.07 3.88 0.02 -0.96 -0.77 113.55 116.29 1j3i h SER 526 Ca -0.00 -0.69 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1j3i h SER 526 Cb 0.62 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1j3i h SER 526 CO 0.00 1.24 0.03 0.40 -1.14 0.00 0.00 176.83 177.37 1j3i h ILE 527 N 0.11 1.11 -0.82 3.27 2.04 -0.80 -1.96 117.51 120.46 1j3i h ILE 527 Ca -0.06 -0.33 0.13 0.00 1.00 0.00 0.00 64.86 65.60 1j3i h ILE 527 Cb 1.28 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 38.48 1j3i h ILE 527 CO 0.12 0.10 0.43 0.15 0.00 0.00 0.00 178.15 178.95 1j3i h PHE 528 N -0.02 0.76 -0.85 1.37 3.57 -0.88 0.82 116.94 121.71 1j3i h PHE 528 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1j3i h PHE 528 Cb 0.13 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1j3i h PHE 528 CO -0.03 0.21 0.47 1.15 -2.23 0.00 0.00 178.31 177.88 1j3i h THR 529 N 0.64 1.25 -0.40 4.41 2.02 -0.69 -0.62 112.91 119.51 1j3i h THR 529 Ca 0.44 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1j3i h THR 529 Cb 0.57 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1j3i h THR 529 CO -0.33 0.27 0.16 0.45 0.37 0.00 0.00 175.52 176.45 1j3i h HIS 530 N 1.18 0.60 0.16 3.16 3.86 -0.18 -1.38 115.15 122.56 1j3i h HIS 530 Ca 0.30 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1j3i h HIS 530 Cb 0.02 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1j3i h HIS 530 CO 0.01 0.53 -0.08 0.52 0.86 0.00 0.00 177.93 179.77 1j3i h MET 531 N 0.50 -0.21 -0.57 2.45 2.07 -0.36 -1.25 114.93 117.56 1j3i h MET 531 Ca 0.13 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.78 1j3i h MET 531 Cb 0.18 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 1j3i h MET 531 CO -0.01 -0.14 0.38 0.82 1.07 0.00 0.00 176.91 179.02 1j3i h ILE 532 N -0.22 1.14 0.26 -1.22 1.08 -1.06 -2.27 117.51 115.23 1j3i h ILE 532 Ca -0.02 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1j3i h ILE 532 Cb 0.17 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1j3i h ILE 532 CO 0.03 0.14 -0.28 0.00 -0.69 0.00 0.00 178.15 177.36 1j3i h ALA 533 N 1.21 -0.57 -0.39 1.87 0.00 -1.10 -2.45 119.26 117.83 1j3i h ALA 533 Ca 0.21 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1j3i h ALA 533 Cb -0.09 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1j3i h ALA 533 CO -0.05 -0.86 -0.14 0.37 0.00 0.00 0.00 179.25 178.58 1j3i h GLN 534 N -0.58 -0.05 0.00 0.00 4.15 -1.06 0.25 115.11 117.81 1j3i h GLN 534 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1j3i h GLN 534 Cb 0.54 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1j3i h GLN 534 CO -0.07 -0.04 0.00 1.33 -1.93 0.00 0.00 178.83 178.13 1j3i n VAL 535 N -5.34 1.05 -0.16 2.39 0.24 -0.87 -1.60 118.33 114.05 1j3i n VAL 535 Ca 0.02 0.26 0.06 0.00 -2.04 0.00 0.00 64.34 62.65 1j3i n VAL 535 Cb 0.25 -1.04 0.17 0.00 -1.47 0.00 0.00 33.84 31.75 1j3i n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3i n ASN 537 N 0.65 -3.94 -4.43 0.00 3.02 -0.60 -4.91 115.26 105.05 1j3i n ASN 537 Ca 0.13 -0.59 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 1j3i n ASN 537 Cb 0.44 -5.04 -0.11 0.00 -0.61 0.00 0.00 39.78 34.47 1j3i n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3i s LEU 538 N -6.80 2.20 -0.09 3.41 1.43 -0.26 -5.02 118.68 113.55 1j3i s LEU 538 Ca 0.27 -1.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1j3i s LEU 538 Cb -0.12 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1j3i s LEU 538 CO 0.73 -0.57 0.00 -1.10 0.23 0.00 0.00 176.35 175.65 1j3i s GLN 539 N -3.87 3.06 0.41 1.70 -1.52 -0.67 -3.97 119.66 114.80 1j3i s GLN 539 Ca 0.35 -0.41 -0.25 0.00 -1.95 0.00 0.00 55.36 53.10 1j3i s GLN 539 Cb 0.08 -2.82 -0.08 0.00 -0.22 0.00 0.00 33.01 29.97 1j3i s GLN 539 CO 0.14 0.66 1.15 -1.25 -0.25 0.00 0.00 175.29 175.74 1j3i s PRO 540 N -0.76 4.04 0.00 2.91 0.04 -1.26 -0.18 135.00 139.78 1j3i s PRO 540 Ca 0.12 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1j3i s PRO 540 Cb -0.12 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1j3i s PRO 540 CO 0.02 -0.32 0.00 0.00 0.04 0.00 0.00 177.00 176.74 1j3i n ALA 541 N -0.01 0.21 -2.71 8.56 0.00 0.66 -3.82 120.51 123.41 1j3i n ALA 541 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1j3i n ALA 541 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1j3i n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3i s GLN 542 N 0.78 2.88 -0.24 0.00 -0.21 -1.25 0.84 119.66 122.46 1j3i s GLN 542 Ca 0.00 -0.56 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1j3i s GLN 542 Cb 0.00 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.28 1j3i s GLN 542 CO 0.00 0.64 -0.03 0.12 -2.12 0.00 0.00 175.29 173.90 1j3i s PHE 543 N -1.10 3.03 -0.22 0.91 5.36 -0.42 -0.69 117.98 124.84 1j3i s PHE 543 Ca 0.20 -1.23 -0.04 0.00 -0.96 0.00 0.00 56.93 54.90 1j3i s PHE 543 Cb -0.12 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1j3i s PHE 543 CO 0.10 -0.64 -0.03 0.42 -1.46 0.00 0.00 175.22 173.62 1j3i s ILE 544 N 1.41 3.47 -0.33 3.12 1.01 0.23 -1.07 121.20 129.04 1j3i s ILE 544 Ca 0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1j3i s ILE 544 Cb -0.16 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1j3i s ILE 544 CO -0.03 0.41 0.14 -2.28 0.00 0.00 0.00 174.94 173.18 1j3i s HIS 545 N 1.49 3.19 -0.22 3.97 2.46 0.27 -0.49 115.29 125.97 1j3i s HIS 545 Ca 0.06 -0.86 -0.08 0.00 0.47 0.00 0.00 55.06 54.65 1j3i s HIS 545 Cb -0.14 -2.34 -0.04 0.00 -0.13 0.00 0.00 32.58 29.92 1j3i s HIS 545 CO -0.03 -0.56 0.09 0.08 -2.47 0.00 0.00 174.74 171.86 1j3i s VAL 546 N 1.55 4.81 -0.16 0.89 1.01 -0.50 -0.95 120.40 127.05 1j3i s VAL 546 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1j3i s VAL 546 Cb -0.18 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1j3i s VAL 546 CO 0.05 0.38 -0.01 -0.76 0.00 0.00 0.00 175.10 174.77 1j3i s LEU 547 N 0.97 3.41 0.00 3.92 1.43 0.55 -0.75 118.68 128.22 1j3i s LEU 547 Ca 0.05 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1j3i s LEU 547 Cb -0.14 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1j3i s LEU 547 CO 0.03 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1j3i n GLY 548 N 3.52 1.05 3.56 -3.19 0.00 0.76 -1.83 105.19 109.06 1j3i n GLY 548 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1j3i n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3i s ASN 549 N -1.00 6.39 -0.26 1.61 3.84 -0.51 -1.08 114.94 123.93 1j3i s ASN 549 Ca 0.00 -0.07 -0.09 0.00 0.21 0.00 0.00 52.86 52.91 1j3i s ASN 549 Cb 0.00 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1j3i s ASN 549 CO 0.00 -1.48 0.12 0.00 -2.79 0.00 0.00 177.10 172.96 1j3i s ALA 550 N 4.84 3.35 0.04 1.71 0.00 -0.52 -0.07 121.76 131.11 1j3i s ALA 550 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1j3i s ALA 550 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1j3i s ALA 550 CO 0.23 -0.45 -0.04 -3.38 0.00 0.00 0.00 175.76 172.11 1j3i s HIS 551 N 1.56 0.46 -0.15 0.00 -3.43 -0.30 -0.74 115.29 112.69 1j3i s HIS 551 Ca 0.06 -0.69 0.01 0.00 -0.80 0.00 0.00 55.06 53.64 1j3i s HIS 551 Cb -0.15 -0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 30.68 1j3i s HIS 551 CO 0.07 -0.21 -0.16 0.08 -2.00 0.00 0.00 174.74 172.52 1j3i s VAL 552 N -2.24 2.66 0.21 -5.38 1.01 0.04 -1.30 120.40 115.41 1j3i s VAL 552 Ca -0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1j3i s VAL 552 Cb -0.04 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 1j3i s VAL 552 CO -0.03 0.52 1.08 -0.31 0.00 0.00 0.00 175.10 176.36 1j3i s TYR 553 N 0.69 3.64 0.44 5.22 2.02 -1.26 -1.65 117.35 126.45 1j3i s TYR 553 Ca -0.08 1.67 0.21 0.00 -0.37 0.00 0.00 57.07 58.50 1j3i s TYR 553 Cb -0.16 -3.24 1.17 0.00 -0.40 0.00 0.00 41.96 39.34 1j3i s TYR 553 CO 0.02 -0.44 1.85 -0.91 -1.57 0.00 0.00 175.55 174.50 1j3i h ASN 554 N 4.62 0.33 0.39 2.29 2.35 -1.61 0.51 115.58 124.45 1j3i h ASN 554 Ca -0.45 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1j3i h ASN 554 Cb 1.21 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1j3i h ASN 554 CO 0.70 0.12 0.00 -0.46 -1.65 0.00 0.00 177.43 176.14 1j3i n ASN 555 N -4.48 0.00 -0.00 5.81 6.94 -1.26 -2.68 115.26 119.59 1j3i n ASN 555 Ca 0.20 -0.08 0.08 0.00 -0.02 0.00 0.00 54.58 54.76 1j3i n ASN 555 Cb 0.79 -0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 1j3i n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1j3i n HIS 556 N -1.26 0.00 -0.22 -2.53 8.25 0.18 -3.22 115.22 116.41 1j3i n HIS 556 Ca 0.11 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1j3i n HIS 556 Cb 0.17 -0.09 0.12 0.00 1.12 0.00 0.00 29.99 31.31 1j3i n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3i h ILE 557 N 0.00 0.49 -0.33 1.59 2.04 -1.36 -1.88 117.51 118.07 1j3i h ILE 557 Ca 0.00 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1j3i h ILE 557 Cb 0.49 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1j3i h ILE 557 CO 0.00 0.03 0.12 0.44 0.00 0.00 0.00 178.15 178.74 1j3i h ASP 558 N 0.15 0.47 -0.65 1.72 3.32 -1.82 -2.24 116.42 117.36 1j3i h ASP 558 Ca 0.34 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1j3i h ASP 558 Cb 0.57 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1j3i h ASP 558 CO -0.53 0.52 0.39 0.28 -1.72 0.00 0.00 179.24 178.18 1j3i h SER 559 N 0.39 0.79 0.82 6.45 0.02 -1.78 -2.31 113.55 117.93 1j3i h SER 559 Ca 0.11 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1j3i h SER 559 Cb 0.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1j3i h SER 559 CO -0.01 0.62 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.87 1j3i h LEU 560 N 0.91 0.00 -0.30 5.07 3.38 -1.10 -1.57 115.31 121.71 1j3i h LEU 560 Ca 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1j3i h LEU 560 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1j3i h LEU 560 CO -0.04 0.36 -0.08 0.11 0.09 0.00 0.00 178.44 178.88 1j3i h LYS 561 N 0.00 0.58 0.20 1.13 1.57 -0.85 0.90 116.57 120.11 1j3i h LYS 561 Ca -0.00 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1j3i h LYS 561 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1j3i h LYS 561 CO 0.05 0.78 -0.13 0.82 -0.57 0.00 0.00 179.45 180.39 1j3i h ILE 562 N 0.35 0.71 -0.99 1.86 2.04 -1.27 -3.02 117.51 117.19 1j3i h ILE 562 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1j3i h ILE 562 Cb 0.56 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1j3i h ILE 562 CO 0.03 0.00 0.65 -0.61 0.00 0.00 0.00 178.15 178.22 1j3i h GLN 563 N -0.33 1.17 0.00 2.37 4.15 -1.03 -2.48 115.11 118.95 1j3i h GLN 563 Ca -0.02 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1j3i h GLN 563 Cb 0.28 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1j3i h GLN 563 CO 0.01 0.77 0.00 1.28 -1.93 0.00 0.00 178.83 178.96 1j3i n LEU 564 N -4.47 0.59 -1.63 -2.39 4.32 0.29 -2.09 117.00 111.62 1j3i n LEU 564 Ca 0.14 0.67 0.08 0.00 -0.02 0.00 0.00 56.01 56.89 1j3i n LEU 564 Cb 0.15 -0.62 0.37 0.00 -1.62 0.00 0.00 43.42 41.69 1j3i n LEU 564 CO 0.33 -0.62 0.83 0.59 -1.22 0.00 0.00 177.39 177.30 1j3i n ASN 565 N -2.18 5.03 -4.69 -1.43 3.02 -0.93 -4.16 115.26 109.92 1j3i n ASN 565 Ca 0.01 -2.66 -0.34 0.00 -0.03 0.00 0.00 54.58 51.57 1j3i n ASN 565 Cb 0.18 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 1j3i n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3i s ARG 566 N -2.23 2.92 -0.24 3.52 0.52 -0.89 -4.74 118.95 117.81 1j3i s ARG 566 Ca 0.51 -0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 1j3i s ARG 566 Cb 0.36 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 1j3i s ARG 566 CO 0.20 0.67 0.16 0.42 0.02 0.00 0.00 175.30 176.77 1j3i s ILE 567 N -0.98 5.36 0.70 1.52 1.01 -1.26 -5.00 121.20 122.55 1j3i s ILE 567 Ca 0.16 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 1j3i s ILE 567 Cb -0.11 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1j3i s ILE 567 CO 0.06 0.35 1.00 -2.65 0.00 0.00 0.00 174.94 173.70 1j3i n PRO 568 N 4.28 0.61 -4.02 2.79 -0.02 -1.26 -4.94 135.00 132.44 1j3i n PRO 568 Ca -0.15 0.26 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 1j3i n PRO 568 Cb 0.52 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1j3i n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j3i s TYR 569 N -1.74 2.94 0.44 6.00 2.02 -1.26 -5.06 117.35 120.70 1j3i s TYR 569 Ca 0.75 -0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 56.97 1j3i s TYR 569 Cb -0.36 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 1j3i s TYR 569 CO 0.49 0.38 1.45 -1.25 -1.57 0.00 0.00 175.55 175.05 1j3i s PRO 570 N -3.88 3.73 0.85 -1.71 0.04 -1.26 -4.89 135.00 127.87 1j3i s PRO 570 Ca 0.36 2.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.77 1j3i s PRO 570 Cb -0.06 -2.70 0.11 0.00 0.04 0.00 0.00 34.50 31.89 1j3i s PRO 570 CO 0.25 -0.80 1.14 -0.06 0.04 0.00 0.00 177.00 177.56 1j3i s PHE 571 N -1.18 1.94 0.01 0.56 0.08 -1.26 -4.65 117.98 113.48 1j3i s PHE 571 Ca 0.60 1.71 -0.00 0.00 0.12 0.00 0.00 56.93 59.36 1j3i s PHE 571 Cb -0.45 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1j3i s PHE 571 CO 0.58 -2.50 0.02 -0.35 -0.10 0.00 0.00 175.22 172.87 1j3i n PRO 572 N -3.87 0.23 -4.19 0.24 -0.04 -1.25 -4.80 135.00 121.31 1j3i n PRO 572 Ca 0.11 -0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1j3i n PRO 572 Cb 0.52 -0.01 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 1j3i n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3i s THR 573 N -0.56 0.97 -0.11 0.52 -4.23 -0.67 -1.07 115.64 110.49 1j3i s THR 573 Ca 0.01 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1j3i s THR 573 Cb -0.00 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 1j3i s THR 573 CO 0.01 -0.58 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.16 1j3i s LEU 574 N -2.55 2.77 -0.07 4.79 2.96 -1.26 -0.55 118.68 124.77 1j3i s LEU 574 Ca 0.07 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1j3i s LEU 574 Cb -0.02 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1j3i s LEU 574 CO 0.00 0.21 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.25 1j3i s LYS 575 N 0.09 2.75 0.05 1.98 2.20 0.75 -4.98 119.74 122.57 1j3i s LYS 575 Ca -0.05 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 54.73 1j3i s LYS 575 Cb -0.15 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1j3i s LYS 575 CO 0.04 0.31 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.71 1j3i s LEU 576 N 0.01 2.90 0.01 5.43 1.43 -1.26 -0.82 118.68 126.39 1j3i s LEU 576 Ca -0.09 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1j3i s LEU 576 Cb -0.15 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 1j3i s LEU 576 CO 0.06 0.24 1.80 0.21 0.23 0.00 0.00 176.35 178.88 1j3i s ASN 577 N -1.70 6.55 0.40 2.29 3.84 -0.35 -4.85 114.94 121.13 1j3i s ASN 577 Ca 0.17 2.49 0.28 0.00 0.21 0.00 0.00 52.86 56.01 1j3i s ASN 577 Cb -0.11 -2.54 1.41 0.00 -0.55 0.00 0.00 41.25 39.46 1j3i s ASN 577 CO 0.09 -0.98 1.85 -0.65 -2.79 0.00 0.00 177.10 174.61 1j3i h PRO 578 N 9.81 0.00 0.00 0.43 0.11 -1.97 -2.99 132.00 137.38 1j3i h PRO 578 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1j3i h PRO 578 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1j3i h PRO 578 CO 0.94 0.00 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.87 1j3i h ASP 579 N 0.00 0.00 -2.66 -2.05 3.32 -2.01 -3.44 116.42 109.58 1j3i h ASP 579 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1j3i h ASP 579 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1j3i h ASP 579 CO 0.00 0.42 1.20 -0.63 -1.72 0.00 0.00 179.24 178.52 1j3i s ILE 580 N -3.25 3.54 -0.83 0.35 -1.09 -1.13 -4.83 121.20 113.95 1j3i s ILE 580 Ca 0.02 0.59 0.11 0.00 -2.23 0.00 0.00 60.65 59.15 1j3i s ILE 580 Cb 0.09 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1j3i s ILE 580 CO 0.71 -0.30 0.60 0.29 -1.23 0.00 0.00 174.94 175.01 1j3i n LYS 581 N 7.97 2.56 -4.74 2.79 4.76 -1.26 -4.66 118.16 125.59 1j3i n LYS 581 Ca 0.21 -0.38 -0.24 0.00 -2.87 0.00 0.00 58.31 55.03 1j3i n LYS 581 Cb 0.45 -1.09 -0.16 0.00 -1.84 0.00 0.00 35.03 32.40 1j3i n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1j3i s ASN 582 N -1.73 1.92 0.53 4.39 0.01 -1.26 -4.65 114.94 114.15 1j3i s ASN 582 Ca 0.07 -0.31 0.32 0.00 -0.71 0.00 0.00 52.86 52.23 1j3i s ASN 582 Cb 0.09 -0.40 1.47 0.00 0.41 0.00 0.00 41.25 42.81 1j3i s ASN 582 CO 0.36 0.16 1.86 -0.29 -1.51 0.00 0.00 177.10 177.68 1j3i h ILE 583 N 5.07 0.52 0.00 0.60 6.09 -1.92 -0.91 117.51 126.96 1j3i h ILE 583 Ca -0.34 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1j3i h ILE 583 Cb 1.17 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1j3i h ILE 583 CO 0.48 0.01 -0.06 -0.62 -3.07 0.00 0.00 178.15 174.89 1j3i n GLU 584 N -4.27 0.04 0.00 2.19 1.02 -1.26 -4.06 120.64 114.30 1j3i n GLU 584 Ca 0.20 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1j3i n GLU 584 Cb 1.01 -1.54 0.36 0.00 -0.02 0.00 0.00 31.44 31.24 1j3i n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3i n ASP 585 N -1.62 1.77 -4.77 1.62 8.00 -0.34 -4.95 116.55 116.27 1j3i n ASP 585 Ca 0.07 -1.48 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 1j3i n ASP 585 Cb 0.35 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1j3i n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3i s PHE 586 N -2.15 3.24 0.22 1.24 0.08 -1.26 -5.01 117.98 114.35 1j3i s PHE 586 Ca 0.31 1.56 0.05 0.00 0.12 0.00 0.00 56.93 58.97 1j3i s PHE 586 Cb 0.20 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 1j3i s PHE 586 CO 0.39 -1.24 -0.05 0.95 -0.10 0.00 0.00 175.22 175.17 1j3i s THR 587 N -1.23 1.27 0.45 0.64 -4.23 -1.26 -5.04 115.64 106.24 1j3i s THR 587 Ca 0.50 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 59.15 1j3i s THR 587 Cb -0.34 -2.22 0.42 0.00 1.34 0.00 0.00 72.50 71.70 1j3i s THR 587 CO 0.44 -0.45 1.86 -0.29 -0.54 0.00 0.00 174.62 175.64 1j3i h ILE 588 N 2.51 0.62 0.00 2.99 6.09 -1.96 -0.88 117.51 126.88 1j3i h ILE 588 Ca -0.38 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1j3i h ILE 588 Cb 1.22 0.32 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1j3i h ILE 588 CO 0.65 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 174.23 1j3i n SER 589 N -4.45 0.00 -0.11 2.19 3.41 -1.26 -3.35 113.62 110.06 1j3i n SER 589 Ca 0.20 -0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1j3i n SER 589 Cb 0.81 -0.26 0.36 0.00 -0.26 0.00 0.00 64.21 64.86 1j3i n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3i n ASP 590 N -1.26 0.31 -4.25 4.04 8.00 -0.34 -4.83 116.55 118.22 1j3i n ASP 590 Ca 0.13 -1.64 -0.29 0.00 0.71 0.00 0.00 54.79 53.70 1j3i n ASP 590 Cb 0.20 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.11 1j3i n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3i s PHE 591 N -1.95 2.12 -0.07 1.24 0.40 -1.21 -1.21 117.98 117.30 1j3i s PHE 591 Ca 0.21 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1j3i s PHE 591 Cb 0.10 -1.37 0.04 0.00 0.51 0.00 0.00 43.02 42.30 1j3i s PHE 591 CO 0.16 -0.08 0.15 0.99 0.70 0.00 0.00 175.22 177.14 1j3i s THR 592 N -0.43 -0.10 -0.28 0.64 2.01 0.00 -4.99 115.64 112.49 1j3i s THR 592 Ca 0.06 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1j3i s THR 592 Cb -0.10 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1j3i s THR 592 CO 0.00 0.09 0.23 -0.63 -0.69 0.00 0.00 174.62 173.62 1j3i s ILE 593 N 1.43 5.28 -0.01 1.82 -1.09 -1.26 -0.18 121.20 127.19 1j3i s ILE 593 Ca -0.06 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 1j3i s ILE 593 Cb -0.12 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1j3i s ILE 593 CO -0.06 0.22 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.71 1j3i s GLN 594 N 1.82 2.61 -1.34 2.79 -0.21 0.29 -4.68 119.66 120.94 1j3i s GLN 594 Ca 0.08 -0.68 -0.06 0.00 0.02 0.00 0.00 55.36 54.72 1j3i s GLN 594 Cb -0.16 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.34 1j3i s GLN 594 CO 0.11 0.62 1.04 0.09 -2.12 0.00 0.00 175.29 175.02 1j3i n ASN 595 N 1.65 -4.20 -4.61 5.90 3.02 -1.26 -1.67 115.26 114.09 1j3i n ASN 595 Ca -0.16 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.32 1j3i n ASN 595 Cb 0.53 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.93 1j3i n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3i s TYR 596 N -3.37 3.00 -0.13 3.10 5.04 -1.26 -4.25 117.35 119.47 1j3i s TYR 596 Ca 0.36 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1j3i s TYR 596 Cb -0.16 -3.93 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 1j3i s TYR 596 CO 0.76 -0.98 -0.15 0.08 -1.34 0.00 0.00 175.55 173.92 1j3i s VAL 597 N 3.85 2.81 0.20 3.14 1.01 -1.26 -5.07 120.40 125.08 1j3i s VAL 597 Ca 0.43 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1j3i s VAL 597 Cb -0.10 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1j3i s VAL 597 CO 0.23 0.53 0.35 -1.38 0.00 0.00 0.00 175.10 174.82 1j3i s HIS 598 N 0.47 0.47 0.84 5.22 -3.43 -1.26 -4.75 115.29 112.85 1j3i s HIS 598 Ca -0.11 -0.81 -0.11 0.00 -0.80 0.00 0.00 55.06 53.23 1j3i s HIS 598 Cb -0.16 -0.01 0.13 0.00 -1.43 0.00 0.00 32.58 31.11 1j3i s HIS 598 CO 0.05 -0.83 1.18 -1.01 -2.00 0.00 0.00 174.74 172.13 1j3i s HIS 599 N -4.01 2.17 0.68 0.38 3.76 -0.08 -4.98 115.29 113.19 1j3i s HIS 599 Ca 0.22 0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 55.35 1j3i s HIS 599 Cb 0.02 -3.63 0.01 0.00 1.11 0.00 0.00 32.58 30.09 1j3i s HIS 599 CO 0.05 -2.06 1.08 -1.83 -0.85 0.00 0.00 174.74 171.13 1j3i s GLU 600 N -5.58 2.84 0.64 1.40 -1.05 -1.26 -3.53 118.70 112.16 1j3i s GLU 600 Ca 0.67 1.20 -0.18 0.00 -0.15 0.00 0.00 54.97 56.52 1j3i s GLU 600 Cb -0.07 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 1j3i s GLU 600 CO 0.49 -1.20 1.29 0.36 0.95 0.00 0.00 175.26 177.15 1j3i n LYS 601 N -2.71 1.13 -4.49 -4.83 -0.00 -1.26 -3.93 118.16 102.06 1j3i n LYS 601 Ca 0.09 0.44 -0.23 0.00 -0.00 0.00 0.00 58.31 58.61 1j3i n LYS 601 Cb 0.53 -2.52 -0.16 0.00 -0.00 0.00 0.00 35.03 32.87 1j3i n LYS 601 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1j3i s ILE 602 N -1.38 0.97 -0.33 0.58 1.01 -1.26 -4.88 121.20 115.91 1j3i s ILE 602 Ca 0.82 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.92 1j3i s ILE 602 Cb -0.38 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1j3i s ILE 602 CO 0.41 0.31 0.29 -0.55 0.00 0.00 0.00 174.94 175.40 1j3i s SER 603 N 0.50 6.12 0.27 3.58 0.15 -1.26 -4.97 113.70 118.09 1j3i s SER 603 Ca -0.10 -0.25 0.15 0.00 0.70 0.00 0.00 55.95 56.45 1j3i s SER 603 Cb -0.13 -2.16 0.05 0.00 -1.71 0.00 0.00 66.02 62.07 1j3i s SER 603 CO 0.02 -0.25 1.40 0.24 1.20 0.00 0.00 173.24 175.85 1j3i h MET 604 N 8.45 0.00 -0.20 5.44 0.00 -1.94 -3.39 114.93 123.28 1j3i h MET 604 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.39 1j3i h MET 604 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.76 1j3i h MET 604 CO 0.65 0.48 0.00 -0.25 0.00 0.00 0.00 176.91 177.78 1j3i n ASP 605 N -3.20 0.20 -4.31 1.22 8.00 -1.26 -4.22 116.55 112.99 1j3i n ASP 605 Ca 0.01 -0.78 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1j3i n ASP 605 Cb 0.74 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 1j3i n ASP 605 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3i s MET 606 N -1.48 2.70 0.96 -1.24 0.23 -1.26 -5.03 119.30 114.18 1j3i s MET 606 Ca 0.00 -1.35 -0.14 0.00 -1.03 0.00 0.00 55.69 53.16 1j3i s MET 606 Cb 0.00 -3.80 0.17 0.00 -1.53 0.00 0.00 34.83 29.67 1j3i s MET 606 CO 0.00 -0.90 1.19 0.00 -2.03 0.00 0.00 175.02 173.28 1j3i s ALA 607 N 1.48 1.83 0.00 3.16 0.00 -1.20 -4.68 121.76 122.35 1j3i s ALA 607 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1j3i s ALA 607 Cb -0.22 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1j3i s ALA 607 CO 0.04 -2.46 0.00 0.00 0.00 0.00 0.00 175.76 173.34